#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itz s ALA 11 N 0.00 2.62 0.21 0.00 0.00 -1.26 -5.05 121.76 118.28 1itz s ALA 11 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 1itz s ALA 11 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1itz s ALA 11 CO 0.00 -1.01 0.49 -0.08 0.00 0.00 0.00 175.76 175.16 1itz s THR 12 N -2.34 0.02 0.00 0.00 -1.32 -1.26 -4.71 115.64 106.03 1itz s THR 12 Ca 0.66 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1itz s THR 12 Cb -0.19 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 1itz s THR 12 CO 0.38 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1itz n GLY 13 N -0.34 2.46 0.28 6.08 0.00 -1.26 -2.21 105.19 110.20 1itz n GLY 13 Ca -0.07 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1itz n GLY 13 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1itz h GLU 14 N 0.00 0.00 -0.33 1.61 4.11 -1.99 -1.91 114.58 116.06 1itz h GLU 14 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1itz h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1itz h GLU 14 CO 0.00 0.05 -0.31 1.25 0.07 0.00 0.00 179.01 180.08 1itz h LEU 15 N 0.00 0.85 -0.25 3.06 5.85 -1.86 -0.57 115.31 122.39 1itz h LEU 15 Ca -0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1itz h LEU 15 Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1itz h LEU 15 CO 0.01 1.13 0.14 0.25 -0.34 0.00 0.00 178.44 179.63 1itz h LEU 16 N 0.58 0.30 -0.45 2.25 5.85 -1.13 -0.14 115.31 122.57 1itz h LEU 16 Ca 0.06 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1itz h LEU 16 Cb 0.88 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1itz h LEU 16 CO 0.08 0.28 0.25 -0.33 -0.34 0.00 0.00 178.44 178.38 1itz h GLU 17 N 0.29 0.48 -0.77 1.25 4.39 -1.29 -1.23 114.58 117.71 1itz h GLU 17 Ca 0.09 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1itz h GLU 17 Cb 0.04 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1itz h GLU 17 CO -0.02 0.32 0.27 0.87 -1.16 0.00 0.00 179.01 179.29 1itz h LYS 18 N 0.49 1.17 -0.20 2.33 1.57 -0.81 -0.58 116.57 120.53 1itz h LYS 18 Ca 0.19 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1itz h LYS 18 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1itz h LYS 18 CO -0.11 0.97 0.05 1.03 -0.57 0.00 0.00 179.45 180.82 1itz h SER 19 N 1.12 0.31 -0.81 0.86 0.87 -0.60 0.48 113.55 115.78 1itz h SER 19 Ca 0.25 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1itz h SER 19 Cb 0.27 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1itz h SER 19 CO -0.01 0.46 0.52 0.58 -0.53 0.00 0.00 176.83 177.85 1itz h VAL 20 N 0.15 1.14 0.00 2.23 2.07 -1.07 -1.85 116.25 118.91 1itz h VAL 20 Ca 0.06 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1itz h VAL 20 Cb 0.27 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1itz h VAL 20 CO 0.00 0.19 -0.44 0.78 0.02 0.00 0.00 177.57 178.12 1itz h ASN 21 N 1.03 0.00 -0.87 0.57 2.35 -0.89 -2.75 115.58 115.02 1itz h ASN 21 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1itz h ASN 21 Cb -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1itz h ASN 21 CO -0.11 0.44 0.48 0.74 -1.65 0.00 0.00 177.43 177.33 1itz h THR 22 N 0.00 1.25 -0.01 2.81 2.02 -0.07 0.11 112.91 119.02 1itz h THR 22 Ca -0.00 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1itz h THR 22 Cb 1.00 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1itz h THR 22 CO 0.06 0.28 0.00 0.40 0.37 0.00 0.00 175.52 176.63 1itz h ILE 23 N 1.21 1.15 -0.25 3.11 2.04 -1.24 -0.68 117.51 122.85 1itz h ILE 23 Ca 0.31 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1itz h ILE 23 Cb 0.03 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1itz h ILE 23 CO -0.05 0.12 -0.00 0.03 0.00 0.00 0.00 178.15 178.24 1itz h ARG 24 N -0.17 0.07 0.00 2.37 3.08 -1.18 -2.25 114.38 116.29 1itz h ARG 24 Ca 0.00 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1itz h ARG 24 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1itz h ARG 24 CO -0.00 0.05 -0.39 0.74 -1.07 0.00 0.00 179.97 179.29 1itz h PHE 25 N 0.07 0.00 -0.48 3.04 0.04 -0.92 0.03 116.94 118.73 1itz h PHE 25 Ca 0.12 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 1itz h PHE 25 Cb 0.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1itz h PHE 25 CO -0.20 0.39 0.02 -0.07 -0.60 0.00 0.00 178.31 177.85 1itz h LEU 26 N 0.00 0.81 -0.07 1.54 3.38 -0.82 0.06 115.31 120.21 1itz h LEU 26 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1itz h LEU 26 Cb 0.87 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1itz h LEU 26 CO 0.05 0.90 0.04 0.00 0.09 0.00 0.00 178.44 179.52 1itz h ALA 27 N 0.93 0.09 -0.38 1.53 0.00 -0.96 0.16 119.26 120.63 1itz h ALA 27 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1itz h ALA 27 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1itz h ALA 27 CO 0.02 -0.36 0.20 0.82 0.00 0.00 0.00 179.25 179.93 1itz h ILE 28 N 0.01 0.99 -0.26 0.00 2.04 -0.86 -1.81 117.51 117.63 1itz h ILE 28 Ca 0.02 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1itz h ILE 28 Cb 0.10 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1itz h ILE 28 CO -0.00 0.07 -0.47 0.44 0.00 0.00 0.00 178.15 178.20 1itz h ASP 29 N 0.40 0.73 -0.49 1.72 3.32 -0.87 -0.64 116.42 120.59 1itz h ASP 29 Ca 0.16 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1itz h ASP 29 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1itz h ASP 29 CO -0.10 1.08 0.20 0.00 -1.72 0.00 0.00 179.24 178.70 1itz h ALA 30 N 0.94 0.63 -0.30 3.45 0.00 -0.81 -1.03 119.26 122.15 1itz h ALA 30 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1itz h ALA 30 Cb 1.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1itz h ALA 30 CO 0.10 0.23 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 1itz h VAL 31 N 0.65 1.26 -0.34 0.00 2.07 -1.27 -2.35 116.25 116.26 1itz h VAL 31 Ca 0.16 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1itz h VAL 31 Cb 0.18 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1itz h VAL 31 CO -0.02 0.31 0.17 -0.08 0.02 0.00 0.00 177.57 177.97 1itz h GLU 32 N 0.32 0.35 -0.66 1.57 4.57 -0.98 0.46 114.58 120.22 1itz h GLU 32 Ca 0.08 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1itz h GLU 32 Cb 0.44 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1itz h GLU 32 CO 0.02 0.23 0.41 -0.22 -1.18 0.00 0.00 179.01 178.27 1itz h LYS 33 N 0.36 0.88 0.00 1.92 3.64 -1.14 -2.25 116.57 119.97 1itz h LYS 33 Ca 0.14 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1itz h LYS 33 Cb 0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1itz h LYS 33 CO -0.10 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 1itz h ALA 34 N 1.22 1.00 -5.82 5.00 0.00 -1.11 -3.47 119.26 116.08 1itz h ALA 34 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.71 1itz h ALA 34 Cb -0.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1itz h ALA 34 CO -0.05 0.00 -0.69 -1.71 0.00 0.00 0.00 179.25 176.80 1itz n ASN 35 N -2.89 -5.25 -3.62 0.00 5.15 0.16 -4.93 115.26 103.87 1itz n ASN 35 Ca 0.04 -0.60 -0.09 0.00 -0.60 0.00 0.00 54.58 53.33 1itz n ASN 35 Cb 0.47 -4.20 -0.06 0.00 -0.53 0.00 0.00 39.78 35.46 1itz n ASN 35 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1itz s SER 36 N -3.14 -0.40 0.00 1.20 0.15 -1.07 -4.79 113.70 105.66 1itz s SER 36 Ca 0.57 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1itz s SER 36 Cb -0.27 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1itz s SER 36 CO 0.70 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1itz n GLY 37 N 1.76 0.81 2.98 9.45 0.00 -1.26 -4.60 105.19 114.32 1itz n GLY 37 Ca -0.12 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 1itz n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1itz s HIS 38 N -0.98 3.18 -0.15 1.61 0.09 -1.26 -2.42 115.29 115.35 1itz s HIS 38 Ca 0.00 -2.49 0.17 0.00 -0.00 0.00 0.00 55.06 52.74 1itz s HIS 38 Cb 0.00 -2.32 -0.03 0.00 -0.00 0.00 0.00 32.58 30.23 1itz s HIS 38 CO 0.00 -0.90 1.13 -1.00 -0.00 0.00 0.00 174.74 173.97 1itz h PRO 39 N 7.76 0.00 0.08 8.40 0.13 -1.70 -3.41 132.00 143.26 1itz h PRO 39 Ca -0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1itz h PRO 39 Cb 1.03 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1itz h PRO 39 CO 0.48 0.35 -0.51 0.78 -0.23 0.00 0.00 178.00 178.87 1itz h GLY 40 N 3.65 -1.16 0.94 1.56 0.00 -1.18 -2.33 103.07 104.55 1itz h GLY 40 Ca -0.08 0.65 0.01 0.00 0.00 0.00 0.00 47.33 47.91 1itz h GLY 40 CO 0.05 -0.27 0.13 -2.00 0.00 0.00 0.00 176.54 174.46 1itz h LEU 41 N -0.70 0.21 -0.99 3.11 6.46 -1.84 -2.02 115.31 119.55 1itz h LEU 41 Ca -0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1itz h LEU 41 Cb 0.72 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 1itz h LEU 41 CO -0.30 0.16 0.65 -0.65 -0.62 0.00 0.00 178.44 177.68 1itz h PRO 42 N 0.28 1.24 -0.58 5.25 0.11 -1.78 0.34 132.00 136.85 1itz h PRO 42 Ca 0.09 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1itz h PRO 42 Cb 0.00 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 30.81 1itz h PRO 42 CO -0.05 0.82 0.23 0.52 -0.21 0.00 0.00 178.00 179.31 1itz h MET 43 N 1.27 0.88 0.00 1.05 2.86 -1.03 -1.05 114.93 118.91 1itz h MET 43 Ca 0.38 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1itz h MET 43 Cb -0.04 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1itz h MET 43 CO -0.11 0.75 -0.78 0.78 1.06 0.00 0.00 176.91 178.61 1itz h GLY 44 N 0.81 0.00 -1.18 8.32 0.00 -0.94 -3.33 103.07 106.75 1itz h GLY 44 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1itz h GLY 44 CO -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.46 1itz h ALA 46 N 4.44 1.36 -0.41 0.00 0.00 -1.30 -1.10 119.26 122.25 1itz h ALA 46 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1itz h ALA 46 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1itz h ALA 46 CO 0.00 0.02 0.26 -1.35 0.00 0.00 0.00 179.25 178.17 1itz h PRO 47 N 0.75 0.51 0.00 0.00 0.11 -1.86 -0.50 132.00 131.01 1itz h PRO 47 Ca 0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.47 1itz h PRO 47 Cb 0.60 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1itz h PRO 47 CO -0.32 0.34 -0.40 0.00 -0.21 0.00 0.00 178.00 177.40 1itz h MET 48 N 0.52 0.00 -0.46 1.05 -0.00 -1.72 -2.55 114.93 111.77 1itz h MET 48 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.75 1itz h MET 48 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.55 1itz h MET 48 CO -0.05 0.40 -0.13 0.78 -0.00 0.00 0.00 176.91 177.91 1itz h GLY 49 N 2.54 0.98 0.83 -3.00 0.00 -0.81 -1.52 103.07 102.09 1itz h GLY 49 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1itz h GLY 49 CO 0.05 0.75 0.03 0.84 0.00 0.00 0.00 176.54 178.21 1itz h HIS 50 N 0.74 0.17 -0.84 5.60 6.17 -0.97 -1.58 115.15 124.45 1itz h HIS 50 Ca 0.12 -0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.19 1itz h HIS 50 Cb 0.68 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.52 1itz h HIS 50 CO 0.05 0.31 0.55 0.28 0.71 0.00 0.00 177.93 179.83 1itz h VAL 51 N -0.01 1.20 0.52 5.26 2.07 -1.37 -0.62 116.25 123.29 1itz h VAL 51 Ca 0.03 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1itz h VAL 51 Cb 0.22 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1itz h VAL 51 CO -0.00 0.20 -0.25 0.25 0.02 0.00 0.00 177.57 177.79 1itz h LEU 52 N 1.12 -0.59 -0.37 2.57 5.85 -1.16 -1.32 115.31 121.41 1itz h LEU 52 Ca 0.31 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 1itz h LEU 52 Cb -0.11 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1itz h LEU 52 CO -0.08 -0.28 -0.72 1.88 -0.34 0.00 0.00 178.44 178.91 1itz h TYR 53 N -0.91 0.00 0.03 1.25 -1.99 -1.29 0.30 116.97 114.36 1itz h TYR 53 Ca -0.07 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.35 1itz h TYR 53 Cb 0.61 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.30 1itz h TYR 53 CO -0.00 0.72 -1.82 -3.47 -0.00 0.00 0.00 178.16 173.59 1itz n ASP 54 N -3.50 1.12 -0.03 3.88 4.64 -0.24 -4.68 116.55 117.75 1itz n ASP 54 Ca -0.00 0.34 -0.03 0.00 -1.38 0.00 0.00 54.79 53.72 1itz n ASP 54 Cb 0.75 -0.19 -0.04 0.00 -1.04 0.00 0.00 41.12 40.59 1itz n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1itz n GLU 55 N -3.13 2.65 -0.14 -0.67 1.02 -0.55 -4.94 120.64 114.88 1itz n GLU 55 Ca -0.21 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.65 1itz n GLU 55 Cb 1.06 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 1itz n GLU 55 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1itz n VAL 56 N -2.28 1.53 -2.15 2.62 0.31 -0.88 -5.00 118.33 112.47 1itz n VAL 56 Ca -0.09 -0.34 -0.40 0.00 -0.01 0.00 0.00 64.34 63.50 1itz n VAL 56 Cb 0.67 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 1itz n VAL 56 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1itz s MET 57 N -2.54 4.18 -0.28 5.55 -1.94 0.07 -5.02 119.30 119.32 1itz s MET 57 Ca -0.38 2.10 -0.10 0.00 -1.71 0.00 0.00 55.69 55.60 1itz s MET 57 Cb 0.14 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1itz s MET 57 CO 0.49 -0.29 0.15 1.03 -0.01 0.00 0.00 175.02 176.38 1itz s ARG 58 N -2.02 3.70 0.22 2.03 0.52 -1.26 -4.93 118.95 117.21 1itz s ARG 58 Ca 0.53 -0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 55.04 1itz s ARG 58 Cb -0.37 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.59 1itz s ARG 58 CO 0.48 -0.25 0.75 1.52 0.02 0.00 0.00 175.30 177.82 1itz s TYR 59 N 1.68 -0.25 -0.27 -0.53 -0.85 -1.26 -1.02 117.35 114.85 1itz s TYR 59 Ca 0.06 -0.12 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1itz s TYR 59 Cb -0.16 0.66 0.07 0.00 0.38 0.00 0.00 41.96 42.91 1itz s TYR 59 CO 0.08 -1.06 -0.06 1.21 -1.52 0.00 0.00 175.55 174.20 1itz s ASN 60 N -2.87 4.29 0.62 -0.18 3.84 -1.26 -4.38 114.94 115.01 1itz s ASN 60 Ca 0.09 -1.47 0.33 0.00 0.21 0.00 0.00 52.86 52.03 1itz s ASN 60 Cb -0.04 -1.42 1.89 0.00 -0.55 0.00 0.00 41.25 41.13 1itz s ASN 60 CO 0.02 -0.25 2.18 1.55 -2.79 0.00 0.00 177.10 177.81 1itz h PRO 61 N 7.82 0.00 -0.02 0.43 0.13 -1.85 -0.40 132.00 138.11 1itz h PRO 61 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1itz h PRO 61 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1itz h PRO 61 CO 0.46 0.00 -0.07 1.63 -0.23 0.00 0.00 178.00 179.79 1itz n LYS 62 N -3.50 1.56 -3.32 0.86 4.76 -1.26 -4.22 118.16 113.04 1itz n LYS 62 Ca -0.01 -0.98 -0.22 0.00 -2.87 0.00 0.00 58.31 54.23 1itz n LYS 62 Cb 0.22 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 1itz n LYS 62 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1itz s ASN 63 N -2.12 1.31 0.00 4.39 3.04 -0.16 -4.98 114.94 116.42 1itz s ASN 63 Ca 0.33 -2.36 0.14 0.00 0.04 0.00 0.00 52.86 51.01 1itz s ASN 63 Cb 0.20 0.11 0.74 0.00 -1.54 0.00 0.00 41.25 40.76 1itz s ASN 63 CO 0.38 -0.21 1.31 -0.81 -3.04 0.00 0.00 177.10 174.74 1itz n PRO 64 N 3.44 0.28 -0.01 0.43 -0.04 -1.25 -2.49 135.00 135.36 1itz n PRO 64 Ca 0.20 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1itz n PRO 64 Cb 0.46 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1itz n PRO 64 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1itz n TYR 65 N -1.18 0.04 -1.67 0.54 4.02 -1.26 -4.80 117.16 112.85 1itz n TYR 65 Ca 0.08 -0.02 -0.54 0.00 -0.01 0.00 0.00 57.90 57.41 1itz n TYR 65 Cb 0.08 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 1itz n TYR 65 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1itz n TRP 66 N 1.23 2.09 -0.12 -0.72 -0.00 -1.04 -4.86 117.44 114.02 1itz n TRP 66 Ca 0.13 0.34 -0.05 0.00 -0.00 0.00 0.00 57.50 57.93 1itz n TRP 66 Cb 0.54 -2.53 0.02 0.00 -0.00 0.00 0.00 31.31 29.34 1itz n TRP 66 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 1itz h PHE 67 N 8.42 -0.30 -0.14 5.87 3.04 -1.93 -2.69 116.94 129.21 1itz h PHE 67 Ca -0.45 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1itz h PHE 67 Cb 1.31 0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.01 1itz h PHE 67 CO 0.83 -0.21 0.00 -1.71 -2.02 0.00 0.00 178.31 175.20 1itz n ASN 68 N -5.34 1.29 -4.74 0.41 5.15 -1.26 -4.93 115.26 105.84 1itz n ASN 68 Ca 0.03 -2.08 -0.36 0.00 -0.60 0.00 0.00 54.58 51.57 1itz n ASN 68 Cb 0.25 -0.28 0.05 0.00 -0.53 0.00 0.00 39.78 39.27 1itz n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1itz s ARG 69 N -1.63 2.78 0.50 1.20 1.70 -1.02 -4.59 118.95 117.89 1itz s ARG 69 Ca 0.11 1.93 -0.20 0.00 -0.47 0.00 0.00 55.73 57.10 1itz s ARG 69 Cb 0.07 -1.89 -0.08 0.00 -0.57 0.00 0.00 34.95 32.48 1itz s ARG 69 CO 0.06 -1.38 1.05 -0.51 -1.08 0.00 0.00 175.30 173.43 1itz s ASP 70 N -1.52 6.24 -0.11 -2.89 1.01 -0.19 -4.75 116.67 114.46 1itz s ASP 70 Ca 0.80 1.96 -0.03 0.00 0.71 0.00 0.00 52.55 55.98 1itz s ASP 70 Cb -0.33 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.00 1itz s ASP 70 CO 0.36 -0.85 -0.00 -0.13 0.21 0.00 0.00 175.17 174.76 1itz s ARG 71 N -3.27 3.27 -0.05 8.23 3.00 -0.30 -4.85 118.95 124.98 1itz s ARG 71 Ca 0.68 -0.43 0.05 0.00 0.00 0.00 0.00 55.73 56.03 1itz s ARG 71 Cb -0.17 -2.87 -0.02 0.00 0.00 0.00 0.00 34.95 31.89 1itz s ARG 71 CO 0.21 0.54 -0.20 0.12 0.00 0.00 0.00 175.30 175.98 1itz s PHE 72 N -0.43 2.56 -0.07 -0.53 5.36 -1.26 0.10 117.98 123.71 1itz s PHE 72 Ca 0.08 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1itz s PHE 72 Cb -0.12 -1.62 0.02 0.00 -0.34 0.00 0.00 43.02 40.97 1itz s PHE 72 CO 0.02 -0.01 -0.03 0.08 -1.46 0.00 0.00 175.22 173.81 1itz s VAL 73 N -0.43 0.60 -0.66 3.12 1.01 0.19 -4.52 120.40 119.71 1itz s VAL 73 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1itz s VAL 73 Cb -0.12 -0.68 0.12 0.00 0.00 0.00 0.00 36.38 35.70 1itz s VAL 73 CO 0.02 0.28 0.78 -0.22 0.00 0.00 0.00 175.10 175.95 1itz s LEU 74 N 1.55 5.43 0.25 3.92 2.96 -1.26 -1.63 118.68 129.89 1itz s LEU 74 Ca -0.01 -1.60 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 1itz s LEU 74 Cb -0.13 -2.31 0.30 0.00 0.50 0.00 0.00 46.19 44.54 1itz s LEU 74 CO -0.04 -1.08 1.63 -1.28 -1.32 0.00 0.00 176.35 174.26 1itz h SER 75 N 9.03 0.47 -1.25 3.68 0.87 -1.15 -3.22 113.55 121.98 1itz h SER 75 Ca -0.20 -0.21 -0.74 0.00 -1.23 0.00 0.00 61.79 59.41 1itz h SER 75 Cb 1.07 -0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 62.77 1itz h SER 75 CO 1.07 0.83 2.11 0.00 -0.53 0.00 0.00 176.83 180.32 1itz n ALA 76 N -2.49 5.04 -0.08 6.23 0.00 -1.19 -4.47 120.51 123.55 1itz n ALA 76 Ca -0.02 -4.20 0.26 0.00 0.00 0.00 0.00 53.44 49.48 1itz n ALA 76 Cb 0.51 -3.13 0.71 0.00 0.00 0.00 0.00 19.45 17.54 1itz n ALA 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1itz h GLY 77 N 8.82 0.00 2.00 0.00 0.00 -1.85 -1.49 103.07 110.55 1itz h GLY 77 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1itz h GLY 77 CO 1.60 0.00 -0.02 1.12 0.00 0.00 0.00 176.54 179.24 1itz h HIS 78 N 0.00 0.00 -0.18 5.60 2.07 -1.87 -1.42 115.15 119.35 1itz h HIS 78 Ca 0.35 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.80 1itz h HIS 78 Cb 1.63 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.57 1itz h HIS 78 CO 0.00 0.02 0.08 0.41 -3.07 0.00 0.00 177.93 175.37 1itz n GLY 79 N -1.30 2.22 0.47 6.13 0.00 -0.56 -4.27 105.19 107.87 1itz n GLY 79 Ca -0.03 -0.23 0.29 0.00 0.00 0.00 0.00 46.02 46.05 1itz n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itz h MET 81 N 0.00 0.00 0.01 0.00 2.86 -1.87 0.54 114.93 116.47 1itz h MET 81 Ca 0.42 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1itz h MET 81 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1itz h MET 81 CO -0.00 0.00 -0.01 1.25 1.06 0.00 0.00 176.91 179.21 1itz h LEU 82 N 0.00 -0.02 -0.47 1.22 5.85 -1.37 -0.08 115.31 120.44 1itz h LEU 82 Ca 0.07 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1itz h LEU 82 Cb 0.36 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1itz h LEU 82 CO -0.00 0.02 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.41 1itz h GLN 83 N -0.05 0.90 -0.76 1.25 4.15 -1.12 -2.31 115.11 117.18 1itz h GLN 83 Ca -0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1itz h GLN 83 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1itz h GLN 83 CO 0.00 0.99 0.37 1.88 -1.93 0.00 0.00 178.83 180.14 1itz h TYR 84 N 0.75 1.08 -0.29 3.99 0.05 -0.97 0.60 116.97 122.17 1itz h TYR 84 Ca 0.12 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1itz h TYR 84 Cb 0.65 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1itz h TYR 84 CO 0.05 0.78 0.15 0.00 -1.05 0.00 0.00 178.16 178.09 1itz h ALA 85 N 1.33 0.38 -0.50 3.88 0.00 -0.84 -0.80 119.26 122.71 1itz h ALA 85 Ca 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1itz h ALA 85 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1itz h ALA 85 CO -0.03 -0.08 0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1itz h LEU 86 N 0.35 0.79 -0.88 0.00 3.38 -0.97 -0.88 115.31 117.10 1itz h LEU 86 Ca 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1itz h LEU 86 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1itz h LEU 86 CO -0.01 0.84 0.29 -0.07 0.09 0.00 0.00 178.44 179.57 1itz h LEU 87 N 0.70 1.02 0.12 1.67 3.38 -0.74 -0.03 115.31 121.42 1itz h LEU 87 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1itz h LEU 87 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1itz h LEU 87 CO 0.01 0.91 -0.06 -0.74 0.09 0.00 0.00 178.44 178.65 1itz h HIS 88 N 1.08 -0.15 -0.76 1.13 2.76 -0.79 -1.95 115.15 116.48 1itz h HIS 88 Ca 0.25 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1itz h HIS 88 Cb 0.22 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1itz h HIS 88 CO 0.02 -0.01 0.34 -0.07 -1.30 0.00 0.00 177.93 176.90 1itz h LEU 89 N -0.25 1.00 -1.67 0.26 4.07 -0.99 -2.58 115.31 115.15 1itz h LEU 89 Ca -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1itz h LEU 89 Cb 0.20 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1itz h LEU 89 CO 0.03 0.86 0.00 0.00 -1.08 0.00 0.00 178.44 178.25 1itz h ALA 90 N 1.28 1.00 0.00 1.53 0.00 -0.92 -3.43 119.26 118.73 1itz h ALA 90 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1itz h ALA 90 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1itz h ALA 90 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1itz n GLY 91 N -0.24 1.03 3.77 0.00 0.00 -0.97 -4.59 105.19 104.18 1itz n GLY 91 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1itz n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itz s TYR 92 N -2.00 3.00 -0.24 1.61 1.51 -0.77 -4.69 117.35 115.78 1itz s TYR 92 Ca 0.00 1.33 0.28 0.00 -1.01 0.00 0.00 57.07 57.67 1itz s TYR 92 Cb 0.00 -3.73 1.14 0.00 -0.11 0.00 0.00 41.96 39.26 1itz s TYR 92 CO 0.00 -2.09 1.83 -0.44 -1.11 0.00 0.00 175.55 173.74 1itz h ASP 93 N 3.61 0.00 1.58 2.29 3.32 -1.90 -3.12 116.42 122.20 1itz h ASP 93 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1itz h ASP 93 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1itz h ASP 93 CO 0.67 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.96 1itz h SER 94 N 0.00 0.00 -3.35 6.45 4.64 -1.91 -3.40 113.55 115.99 1itz h SER 94 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1itz h SER 94 Cb 0.43 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.12 1itz h SER 94 CO 0.00 0.00 -0.74 -0.69 -0.87 0.00 0.00 176.83 174.53 1itz s VAL 95 N -3.28 1.48 0.67 0.95 1.01 -1.18 -4.89 120.40 115.16 1itz s VAL 95 Ca 0.07 -2.77 0.01 0.00 0.00 0.00 0.00 61.98 59.29 1itz s VAL 95 Cb 0.08 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1itz s VAL 95 CO 0.60 -0.94 0.92 -0.54 0.00 0.00 0.00 175.10 175.15 1itz s LYS 96 N 0.11 1.94 0.22 2.72 1.02 -1.26 -4.20 119.74 120.29 1itz s LYS 96 Ca 0.20 -1.10 -0.08 0.00 0.02 0.00 0.00 55.97 55.02 1itz s LYS 96 Cb -0.19 -2.40 0.34 0.00 -0.52 0.00 0.00 37.83 35.06 1itz s LYS 96 CO -0.04 -1.22 1.74 1.49 -0.92 0.00 0.00 175.35 176.40 1itz h GLU 97 N -0.32 0.41 0.00 1.68 4.81 -1.98 -0.99 114.58 118.18 1itz h GLU 97 Ca -0.37 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1itz h GLU 97 Cb 1.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1itz h GLU 97 CO 0.43 0.27 -0.23 1.49 -0.73 0.00 0.00 179.01 180.24 1itz h GLU 98 N 0.42 0.00 -0.44 1.92 4.57 -1.98 -2.50 114.58 116.56 1itz h GLU 98 Ca 0.34 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.38 1itz h GLU 98 Cb 0.46 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1itz h GLU 98 CO -0.34 0.23 -0.28 -0.44 -1.18 0.00 0.00 179.01 176.99 1itz h ASP 99 N 0.00 1.00 -0.61 1.04 3.32 -1.55 -2.43 116.42 117.19 1itz h ASP 99 Ca -0.00 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1itz h ASP 99 Cb 0.46 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1itz h ASP 99 CO 0.03 1.21 0.40 -0.07 -1.72 0.00 0.00 179.24 179.09 1itz h LEU 100 N 0.81 0.70 0.00 1.55 3.38 -1.13 -0.18 115.31 120.44 1itz h LEU 100 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1itz h LEU 100 Cb 0.87 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1itz h LEU 100 CO 0.08 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1itz n LYS 101 N -4.44 0.45 -0.39 1.13 5.02 -0.95 -2.79 118.16 116.18 1itz n LYS 101 Ca 0.06 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1itz n LYS 101 Cb 0.04 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 33.79 1itz n LYS 101 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1itz n GLN 102 N -1.23 2.79 -1.64 1.97 1.13 -0.09 -4.97 117.38 115.34 1itz n GLN 102 Ca 0.14 -2.75 -0.49 0.00 -1.94 0.00 0.00 57.00 51.96 1itz n GLN 102 Cb 0.18 -1.77 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 1itz n GLN 102 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1itz n PHE 103 N -0.51 1.97 -1.80 1.08 7.35 -1.12 -1.68 117.46 122.76 1itz n PHE 103 Ca 0.20 0.41 -0.19 0.00 -0.76 0.00 0.00 57.45 57.11 1itz n PHE 103 Cb 0.83 -2.46 -0.06 0.00 0.35 0.00 0.00 39.48 38.14 1itz n PHE 103 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1itz n ARG 104 N 3.22 -1.53 -4.05 -4.13 1.74 -0.39 -4.73 116.66 106.79 1itz n ARG 104 Ca 0.18 1.09 -0.30 0.00 -0.77 0.00 0.00 57.85 58.05 1itz n ARG 104 Cb 0.25 -5.53 -0.06 0.00 -1.02 0.00 0.00 32.46 26.09 1itz n ARG 104 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1itz s GLN 105 N -4.04 2.91 -0.39 5.56 -1.52 -0.67 -4.91 119.66 116.59 1itz s GLN 105 Ca 0.00 -0.71 -0.44 0.00 -1.95 0.00 0.00 55.36 52.25 1itz s GLN 105 Cb 0.00 -2.72 -0.19 0.00 -0.22 0.00 0.00 33.01 29.88 1itz s GLN 105 CO 0.00 0.55 1.59 1.87 -0.25 0.00 0.00 175.29 179.06 1itz n TRP 106 N 0.30 1.75 -1.29 0.91 -0.00 -1.26 -2.19 117.44 115.67 1itz n TRP 106 Ca -0.08 0.97 -0.10 0.00 -0.00 0.00 0.00 57.50 58.29 1itz n TRP 106 Cb 0.52 -2.28 -0.04 0.00 -0.00 0.00 0.00 31.31 29.51 1itz n TRP 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1itz n GLY 107 N 3.84 1.10 3.92 5.87 0.00 -1.26 -5.03 105.19 113.63 1itz n GLY 107 Ca 0.29 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1itz n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itz s SER 108 N -2.69 5.33 0.00 1.61 1.04 -0.93 -4.96 113.70 113.11 1itz s SER 108 Ca 0.00 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.28 1itz s SER 108 Cb 0.00 -1.55 0.74 0.00 0.10 0.00 0.00 66.02 65.31 1itz s SER 108 CO 0.00 -1.27 1.50 0.54 0.98 0.00 0.00 173.24 174.99 1itz n ARG 109 N -2.75 1.29 -3.22 4.02 1.74 -1.26 -4.21 116.66 112.27 1itz n ARG 109 Ca 0.06 -0.44 -0.24 0.00 -0.77 0.00 0.00 57.85 56.45 1itz n ARG 109 Cb 0.58 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.69 1itz n ARG 109 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1itz n THR 110 N -0.29 0.97 -1.24 0.55 -2.24 -1.26 -4.59 114.28 106.18 1itz n THR 110 Ca 0.12 -4.75 -0.29 0.00 -2.27 0.00 0.00 64.05 56.86 1itz n THR 110 Cb 0.15 -1.61 0.15 0.00 -2.10 0.00 0.00 70.33 66.93 1itz n THR 110 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1itz s PRO 111 N -2.19 0.96 0.58 -0.78 0.04 -1.26 -1.27 135.00 131.09 1itz s PRO 111 Ca 0.40 0.65 0.28 0.00 0.04 0.00 0.00 61.00 62.37 1itz s PRO 111 Cb 0.21 -1.79 1.54 0.00 0.04 0.00 0.00 34.50 34.51 1itz s PRO 111 CO -0.08 -2.40 1.99 0.78 0.04 0.00 0.00 177.00 177.33 1itz h GLY 112 N -1.66 0.00 -4.89 0.56 0.00 -1.95 -3.41 103.07 91.72 1itz h GLY 112 Ca -0.51 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.45 1itz h GLY 112 CO 0.57 0.00 -0.77 0.30 0.00 0.00 0.00 176.54 176.64 1itz s HIS 113 N -4.67 0.87 0.16 5.60 3.76 -1.26 -4.75 115.29 115.01 1itz s HIS 113 Ca -0.04 -0.33 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 1itz s HIS 113 Cb 0.16 -0.53 -0.11 0.00 1.11 0.00 0.00 32.58 33.21 1itz s HIS 113 CO 0.57 -0.01 1.73 -1.25 -0.85 0.00 0.00 174.74 174.92 1itz s PRO 114 N -1.02 4.15 -0.12 8.40 0.04 -1.26 -4.93 135.00 140.26 1itz s PRO 114 Ca -0.02 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1itz s PRO 114 Cb -0.07 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1itz s PRO 114 CO 0.01 -0.76 -0.06 -1.21 0.04 0.00 0.00 177.00 175.01 1itz s GLU 115 N 1.79 1.43 0.40 4.56 2.02 -1.26 -2.19 118.70 125.45 1itz s GLU 115 Ca 0.76 -0.27 0.09 0.00 0.02 0.00 0.00 54.97 55.57 1itz s GLU 115 Cb -0.47 -1.61 0.83 0.00 0.10 0.00 0.00 34.13 32.98 1itz s GLU 115 CO 0.33 -0.30 1.97 -2.95 0.02 0.00 0.00 175.26 174.34 1itz h ASN 116 N 8.18 0.31 0.66 -0.19 7.08 -1.74 -2.17 115.58 127.71 1itz h ASN 116 Ca -0.28 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 1itz h ASN 116 Cb 1.13 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.29 1itz h ASN 116 CO 0.39 0.36 0.00 2.22 -2.08 0.00 0.00 177.43 178.32 1itz n PHE 117 N -4.36 0.00 -0.06 4.14 1.16 -1.26 -3.41 117.46 113.68 1itz n PHE 117 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1itz n PHE 117 Cb 0.19 -0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 37.57 1itz n PHE 117 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1itz n GLU 118 N -1.39 1.89 -3.75 3.97 -0.58 -0.89 -4.96 120.64 114.93 1itz n GLU 118 Ca 0.09 -0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.52 1itz n GLU 118 Cb 0.24 -1.32 -0.15 0.00 -0.57 0.00 0.00 31.44 29.65 1itz n GLU 118 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1itz s THR 119 N -2.34 0.97 0.17 2.62 2.01 -0.87 -4.76 115.64 113.45 1itz s THR 119 Ca -0.06 -1.50 -0.33 0.00 0.31 0.00 0.00 61.69 60.11 1itz s THR 119 Cb 0.04 -1.73 -0.14 0.00 0.01 0.00 0.00 72.50 70.68 1itz s THR 119 CO 0.51 -0.68 1.58 -2.65 -0.69 0.00 0.00 174.62 172.68 1itz n PRO 120 N 4.76 2.21 0.00 4.92 -0.02 -1.26 -1.10 135.00 144.52 1itz n PRO 120 Ca -0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1itz n PRO 120 Cb 0.42 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1itz n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1itz n GLY 121 N 3.34 1.74 3.61 -1.23 0.00 -1.26 -4.65 105.19 106.73 1itz n GLY 121 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1itz n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itz s VAL 122 N -1.81 5.22 0.13 1.61 1.01 -0.26 -4.99 120.40 121.31 1itz s VAL 122 Ca 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1itz s VAL 122 Cb 0.00 -3.65 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 1itz s VAL 122 CO 0.00 0.19 1.31 -0.33 0.00 0.00 0.00 175.10 176.28 1itz h GLU 123 N 8.16 0.51 -4.48 2.72 4.39 -1.87 -3.38 114.58 120.63 1itz h GLU 123 Ca -0.33 -0.50 -0.26 0.00 0.34 0.00 0.00 59.36 58.62 1itz h GLU 123 Cb 1.17 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 29.81 1itz h GLU 123 CO 0.62 1.13 -0.50 0.14 -1.16 0.00 0.00 179.01 179.24 1itz s VAL 124 N -3.41 0.00 -0.26 3.13 -7.23 -1.26 -4.82 120.40 106.54 1itz s VAL 124 Ca -0.07 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 1itz s VAL 124 Cb 0.09 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1itz s VAL 124 CO 0.87 0.00 0.24 -0.89 -0.31 0.00 0.00 175.10 175.01 1itz s THR 125 N -3.94 5.29 0.44 5.32 2.01 -1.26 -3.75 115.64 119.74 1itz s THR 125 Ca 0.36 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1itz s THR 125 Cb 0.05 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 1itz s THR 125 CO 0.15 0.26 0.02 0.35 -0.69 0.00 0.00 174.62 174.70 1itz n THR 126 N 4.80 0.00 0.00 -0.82 -2.24 -0.93 -4.83 114.28 110.26 1itz n THR 126 Ca -0.13 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 1itz n THR 126 Cb 0.52 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1itz n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itz n GLY 127 N -0.36 3.54 3.64 3.38 0.00 -1.26 -4.26 105.19 109.87 1itz n GLY 127 Ca -0.17 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1itz n GLY 127 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1itz s PRO 128 N 0.00 4.03 0.39 1.61 0.02 -1.26 -4.76 135.00 135.03 1itz s PRO 128 Ca 0.00 1.58 -0.27 0.00 0.02 0.00 0.00 61.00 62.33 1itz s PRO 128 Cb 0.00 -3.88 -0.11 0.00 0.02 0.00 0.00 34.50 30.53 1itz s PRO 128 CO 0.00 -0.98 1.33 1.28 -0.33 0.00 0.00 177.00 178.29 1itz n LEU 129 N 7.38 4.08 0.00 -5.54 4.77 -1.26 -3.00 117.00 123.43 1itz n LEU 129 Ca 0.16 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 1itz n LEU 129 Cb 0.45 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1itz n LEU 129 CO 0.61 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1itz n GLY 130 N 0.72 3.04 0.08 -0.72 0.00 -1.26 -4.90 105.19 102.15 1itz n GLY 130 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1itz n GLY 130 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1itz h GLN 131 N 0.87 -0.10 -0.48 1.61 1.08 -1.86 -3.12 115.11 113.11 1itz h GLN 131 Ca 0.00 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 1itz h GLN 131 Cb 0.00 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.36 1itz h GLN 131 CO 0.00 0.02 -0.41 0.78 -0.95 0.00 0.00 178.83 178.27 1itz h GLY 132 N -0.21 -0.43 1.43 3.46 0.00 -1.81 0.13 103.07 105.64 1itz h GLY 132 Ca -0.01 0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.85 1itz h GLY 132 CO 0.02 -0.18 0.38 1.19 0.00 0.00 0.00 176.54 177.94 1itz h ILE 133 N -0.27 1.14 -0.37 2.60 6.09 -1.90 -0.35 117.51 124.45 1itz h ILE 133 Ca 0.17 -0.26 -0.16 0.00 -1.37 0.00 0.00 64.86 63.24 1itz h ILE 133 Cb 0.57 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 1itz h ILE 133 CO -0.62 0.14 -0.38 0.00 -3.07 0.00 0.00 178.15 174.22 1itz h ALA 134 N 1.65 0.61 -0.51 0.18 0.00 -1.21 -2.55 119.26 117.43 1itz h ALA 134 Ca 0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1itz h ALA 134 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1itz h ALA 134 CO -0.05 0.68 0.29 -0.91 0.00 0.00 0.00 179.25 179.26 1itz h ASN 135 N 0.74 0.62 -0.82 0.00 -0.26 0.04 -2.46 115.58 113.44 1itz h ASN 135 Ca 0.06 -0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1itz h ASN 135 Cb 0.97 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 38.02 1itz h ASN 135 CO 0.09 0.52 0.54 0.00 -1.06 0.00 0.00 177.43 177.52 1itz h ALA 136 N 1.13 1.53 -0.70 -0.83 0.00 -0.94 0.16 119.26 119.62 1itz h ALA 136 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1itz h ALA 136 Cb 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1itz h ALA 136 CO -0.03 0.37 0.33 0.28 0.00 0.00 0.00 179.25 180.19 1itz h VAL 137 N 0.98 1.23 -0.39 0.00 2.07 -1.03 0.35 116.25 119.45 1itz h VAL 137 Ca 0.34 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1itz h VAL 137 Cb 0.11 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1itz h VAL 137 CO -0.11 0.27 -0.34 1.23 0.02 0.00 0.00 177.57 178.65 1itz h GLY 138 N 1.06 0.97 0.93 2.17 0.00 -0.44 -0.91 103.07 106.86 1itz h GLY 138 Ca 0.24 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1itz h GLY 138 CO -0.03 0.86 0.14 1.41 0.00 0.00 0.00 176.54 178.92 1itz h LEU 139 N 0.74 0.50 -1.02 3.11 3.38 -0.37 -0.80 115.31 120.86 1itz h LEU 139 Ca 0.07 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1itz h LEU 139 Cb 0.91 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1itz h LEU 139 CO 0.08 0.53 -0.26 0.00 0.09 0.00 0.00 178.44 178.88 1itz h ALA 140 N 0.99 1.17 -0.25 1.53 0.00 -0.90 -2.11 119.26 119.69 1itz h ALA 140 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1itz h ALA 140 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1itz h ALA 140 CO -0.01 0.53 0.05 1.25 0.00 0.00 0.00 179.25 181.07 1itz h LEU 141 N 0.34 0.40 -0.21 0.00 6.46 -0.86 -1.50 115.31 119.94 1itz h LEU 141 Ca 0.05 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1itz h LEU 141 Cb 0.65 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 1itz h LEU 141 CO 0.05 0.55 -0.07 0.00 -0.62 0.00 0.00 178.44 178.34 1itz h ALA 142 N 0.86 0.11 -0.25 1.25 0.00 -0.80 0.94 119.26 121.37 1itz h ALA 142 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1itz h ALA 142 Cb 0.32 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1itz h ALA 142 CO 0.00 -0.50 0.14 1.49 0.00 0.00 0.00 179.25 180.39 1itz h GLU 143 N -0.03 0.28 -0.72 0.00 4.22 -1.29 0.20 114.58 117.24 1itz h GLU 143 Ca 0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.51 1itz h GLU 143 Cb 0.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1itz h GLU 143 CO -0.24 0.19 0.36 -0.22 -2.18 0.00 0.00 179.01 176.92 1itz h LYS 144 N 0.29 1.02 0.41 1.92 3.64 -0.95 0.16 116.57 123.06 1itz h LYS 144 Ca 0.10 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1itz h LYS 144 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1itz h LYS 144 CO -0.05 0.79 -0.20 1.25 -2.27 0.00 0.00 179.45 178.97 1itz h HIS 145 N 1.00 -0.51 -0.37 1.91 2.76 -0.50 -0.67 115.15 118.77 1itz h HIS 145 Ca 0.25 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1itz h HIS 145 Cb 0.09 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1itz h HIS 145 CO 0.00 -0.29 0.16 -0.07 -1.30 0.00 0.00 177.93 176.43 1itz h LEU 146 N -0.59 0.21 -0.29 0.26 4.07 -0.80 0.25 115.31 118.42 1itz h LEU 146 Ca -0.06 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1itz h LEU 146 Cb 0.45 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1itz h LEU 146 CO 0.09 0.16 0.19 0.00 -1.08 0.00 0.00 178.44 177.80 1itz h ALA 147 N 1.21 0.37 -0.25 1.53 0.00 -0.60 0.87 119.26 122.38 1itz h ALA 147 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1itz h ALA 147 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1itz h ALA 147 CO -0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 1itz h ALA 148 N 1.10 1.39 0.06 0.00 0.00 -0.81 -0.41 119.26 120.59 1itz h ALA 148 Ca 0.11 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1itz h ALA 148 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1itz h ALA 148 CO -0.02 0.42 -1.37 -0.09 0.00 0.00 0.00 179.25 178.19 1itz h ARG 149 N 0.38 0.12 0.00 0.00 2.43 -0.51 -3.41 114.38 113.39 1itz h ARG 149 Ca 0.08 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1itz h ARG 149 Cb 0.39 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1itz h ARG 149 CO 0.02 0.97 -1.28 1.19 -1.51 0.00 0.00 179.97 179.36 1itz n PHE 150 N -3.35 0.00 -2.11 2.20 3.01 0.26 -5.02 117.46 112.44 1itz n PHE 150 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 1itz n PHE 150 Cb 1.01 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 40.33 1itz n PHE 150 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1itz s ASN 151 N -2.74 6.22 0.35 4.37 0.01 -0.17 -4.88 114.94 118.10 1itz s ASN 151 Ca -0.02 2.54 0.09 0.00 -0.71 0.00 0.00 52.86 54.76 1itz s ASN 151 Cb 0.04 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1itz s ASN 151 CO 0.25 -0.90 -0.04 -0.54 -1.51 0.00 0.00 177.10 174.36 1itz s LYS 152 N -2.40 1.94 0.28 -0.60 3.01 -0.21 -4.94 119.74 116.81 1itz s LYS 152 Ca 0.60 -1.88 -0.01 0.00 -1.01 0.00 0.00 55.97 53.67 1itz s LYS 152 Cb -0.35 -1.79 0.45 0.00 -1.01 0.00 0.00 37.83 35.13 1itz s LYS 152 CO 0.44 0.12 1.90 -1.35 0.51 0.00 0.00 175.35 176.97 1itz h PRO 153 N 1.91 1.09 -0.37 -1.68 0.11 -2.02 -2.48 132.00 128.57 1itz h PRO 153 Ca -0.42 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1itz h PRO 153 Cb 1.25 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1itz h PRO 153 CO 0.70 0.72 0.00 -0.40 -0.21 0.00 0.00 178.00 178.81 1itz n ASP 154 N -4.48 3.35 -3.34 -2.05 3.85 -1.26 -4.82 116.55 107.79 1itz n ASP 154 Ca 0.14 -1.98 -0.12 0.00 -0.71 0.00 0.00 54.79 52.12 1itz n ASP 154 Cb 0.17 -0.23 -0.07 0.00 -1.35 0.00 0.00 41.12 39.64 1itz n ASP 154 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1itz s SER 155 N -1.51 0.86 -1.17 -1.12 0.15 -0.93 -5.06 113.70 104.91 1itz s SER 155 Ca 0.38 -0.66 -0.11 0.00 0.70 0.00 0.00 55.95 56.27 1itz s SER 155 Cb 0.22 0.87 0.23 0.00 -1.71 0.00 0.00 66.02 65.63 1itz s SER 155 CO 0.31 -0.35 1.36 1.21 1.20 0.00 0.00 173.24 176.97 1itz n GLU 156 N 5.19 3.56 0.10 5.44 2.13 -1.26 -1.04 120.64 134.75 1itz n GLU 156 Ca 0.01 -4.12 -0.06 0.00 0.66 0.00 0.00 57.16 53.65 1itz n GLU 156 Cb 0.48 -2.79 0.05 0.00 0.27 0.00 0.00 31.44 29.45 1itz n GLU 156 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 1itz h ILE 157 N 4.06 1.49 -3.56 6.31 3.07 -1.92 -3.42 117.51 123.55 1itz h ILE 157 Ca 0.26 -2.48 -0.64 0.00 1.55 0.00 0.00 64.86 63.55 1itz h ILE 157 Cb 0.83 2.35 -0.22 0.00 -0.27 0.00 0.00 36.82 39.50 1itz h ILE 157 CO 1.20 0.72 -0.63 0.54 -1.05 0.00 0.00 178.15 178.93 1itz s VAL 158 N -3.35 4.26 -0.37 0.16 0.11 -1.26 -4.94 120.40 115.02 1itz s VAL 158 Ca -0.02 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1itz s VAL 158 Cb 0.11 -2.97 0.18 0.00 -1.53 0.00 0.00 36.38 32.17 1itz s VAL 158 CO 0.80 0.37 0.72 -0.62 -3.33 0.00 0.00 175.10 173.05 1itz s ASP 159 N 1.35 -1.28 0.05 3.54 3.68 -1.26 -4.68 116.67 118.07 1itz s ASP 159 Ca 0.05 -0.47 -0.05 0.00 2.13 0.00 0.00 52.55 54.20 1itz s ASP 159 Cb -0.15 1.67 -0.01 0.00 -1.45 0.00 0.00 42.92 42.98 1itz s ASP 159 CO 0.03 -0.16 0.09 -1.38 0.13 0.00 0.00 175.17 173.88 1itz s HIS 160 N 2.08 0.25 0.22 -5.34 -3.43 -1.26 -4.96 115.29 102.86 1itz s HIS 160 Ca 0.15 -0.64 0.05 0.00 -0.80 0.00 0.00 55.06 53.82 1itz s HIS 160 Cb -0.04 -0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 30.91 1itz s HIS 160 CO -0.12 -0.41 0.32 0.71 -2.00 0.00 0.00 174.74 173.24 1itz s TYR 161 N -3.17 3.41 -0.22 0.38 2.02 -1.26 -4.94 117.35 113.56 1itz s TYR 161 Ca -0.00 -0.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1itz s TYR 161 Cb 0.02 -1.57 0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1itz s TYR 161 CO -0.07 0.47 -0.15 0.99 -1.57 0.00 0.00 175.55 175.22 1itz s THR 162 N -1.94 2.19 -0.10 -0.71 2.01 -0.39 -1.15 115.64 115.55 1itz s THR 162 Ca 0.34 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1itz s THR 162 Cb -0.09 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1itz s THR 162 CO 0.28 0.25 0.01 -0.31 -0.69 0.00 0.00 174.62 174.16 1itz s TYR 163 N 1.21 3.17 -0.06 4.92 2.02 0.11 -0.86 117.35 127.86 1itz s TYR 163 Ca -0.02 0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1itz s TYR 163 Cb -0.16 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1itz s TYR 163 CO -0.09 0.40 0.14 0.54 -1.57 0.00 0.00 175.55 174.98 1itz s VAL 164 N -0.67 -0.02 -0.19 0.71 0.11 -0.87 -0.63 120.40 118.83 1itz s VAL 164 Ca 0.11 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1itz s VAL 164 Cb -0.12 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1itz s VAL 164 CO 0.02 0.03 0.02 -0.63 -3.33 0.00 0.00 175.10 171.21 1itz s ILE 165 N 0.57 4.25 0.07 7.04 1.01 -0.65 0.39 121.20 133.89 1itz s ILE 165 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1itz s ILE 165 Cb -0.06 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1itz s ILE 165 CO -0.03 0.44 -0.07 -1.48 0.00 0.00 0.00 174.94 173.81 1itz s LEU 166 N 0.71 2.40 0.00 2.97 2.34 -0.35 -0.54 118.68 126.21 1itz s LEU 166 Ca 0.01 -0.81 0.00 0.00 0.06 0.00 0.00 54.13 53.39 1itz s LEU 166 Cb -0.14 -0.10 0.00 0.00 -0.56 0.00 0.00 46.19 45.39 1itz s LEU 166 CO 0.02 -0.36 0.00 0.61 -1.06 0.00 0.00 176.35 175.56 1itz n GLY 167 N 0.63 5.36 0.24 -3.48 0.00 -1.26 -0.55 105.19 106.12 1itz n GLY 167 Ca -0.17 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 1itz n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1itz h ASP 168 N 0.00 0.57 -0.59 1.61 5.19 -1.87 -2.82 116.42 118.51 1itz h ASP 168 Ca 0.00 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.24 1itz h ASP 168 Cb 0.00 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.31 1itz h ASP 168 CO 0.00 0.83 0.34 1.23 -3.12 0.00 0.00 179.24 178.52 1itz h GLY 169 N 1.02 0.85 1.29 2.75 0.00 -1.96 -1.81 103.07 105.22 1itz h GLY 169 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1itz h GLY 169 CO 0.06 0.19 -0.06 0.00 0.00 0.00 0.00 176.54 176.72 1itz h GLN 171 N 0.77 0.00 0.00 0.00 1.08 -1.14 -2.75 115.11 113.07 1itz h GLN 171 Ca 0.14 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 1itz h GLN 171 Cb 0.55 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1itz h GLN 171 CO 0.03 0.19 -0.71 0.52 -0.95 0.00 0.00 178.83 177.92 1itz h MET 172 N 0.00 0.00 -6.49 1.46 2.86 -1.03 -3.46 114.93 108.27 1itz h MET 172 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.10 1itz h MET 172 Cb 0.46 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1itz h MET 172 CO 0.03 0.38 0.72 -1.21 1.06 0.00 0.00 176.91 177.89 1itz s GLU 173 N -3.00 4.33 0.41 1.72 0.41 -1.04 -4.93 118.70 116.61 1itz s GLU 173 Ca 0.02 1.99 0.13 0.00 -0.41 0.00 0.00 54.97 56.70 1itz s GLU 173 Cb 0.08 -3.36 0.99 0.00 -1.78 0.00 0.00 34.13 30.06 1itz s GLU 173 CO 0.76 -0.44 1.94 0.78 -0.49 0.00 0.00 175.26 177.80 1itz h GLY 174 N 7.23 0.75 1.15 -1.39 0.00 -1.89 -0.90 103.07 108.02 1itz h GLY 174 Ca -0.41 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 46.78 1itz h GLY 174 CO 0.86 0.09 0.41 1.19 0.00 0.00 0.00 176.54 179.10 1itz h ILE 175 N 0.48 1.00 -0.56 2.60 2.10 -1.92 -0.36 117.51 120.85 1itz h ILE 175 Ca 0.35 -0.21 -0.08 0.00 1.08 0.00 0.00 64.86 65.99 1itz h ILE 175 Cb 0.68 0.34 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1itz h ILE 175 CO -0.11 0.11 0.02 0.00 -1.08 0.00 0.00 178.15 177.09 1itz h ALA 176 N 1.66 0.75 -0.14 0.18 0.00 -1.38 -1.34 119.26 119.00 1itz h ALA 176 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1itz h ALA 176 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1itz h ALA 176 CO -0.08 0.57 -0.50 -0.97 0.00 0.00 0.00 179.25 178.27 1itz h ASN 177 N 0.86 0.40 0.10 0.00 -1.24 -1.13 -0.04 115.58 114.53 1itz h ASN 177 Ca 0.16 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1itz h ASN 177 Cb 0.52 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1itz h ASN 177 CO 0.02 0.83 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.61 1itz h GLU 178 N 0.29 -0.14 -0.53 6.67 5.08 -0.84 -1.49 114.58 123.62 1itz h GLU 178 Ca 0.01 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1itz h GLU 178 Cb 0.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1itz h GLU 178 CO 0.08 0.01 0.18 0.00 -1.00 0.00 0.00 179.01 178.28 1itz h ALA 179 N 0.63 0.70 0.00 3.43 0.00 -1.13 -2.61 119.26 120.27 1itz h ALA 179 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1itz h ALA 179 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1itz h ALA 179 CO 0.02 0.35 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 1itz h SER 181 N 0.00 0.77 -0.54 0.00 0.87 -1.02 -1.93 113.55 111.69 1itz h SER 181 Ca -0.00 -0.44 -0.11 0.00 -1.23 0.00 0.00 61.79 60.01 1itz h SER 181 Cb 0.59 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1itz h SER 181 CO 0.03 1.04 -0.10 0.25 -0.53 0.00 0.00 176.83 177.52 1itz h LEU 182 N 0.50 1.02 -0.79 2.23 5.85 -1.07 -1.51 115.31 121.54 1itz h LEU 182 Ca 0.06 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1itz h LEU 182 Cb 0.79 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1itz h LEU 182 CO 0.06 1.13 0.43 0.00 -0.34 0.00 0.00 178.44 179.72 1itz h ALA 183 N 0.96 1.01 -0.30 1.25 0.00 -1.01 0.15 119.26 121.31 1itz h ALA 183 Ca 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1itz h ALA 183 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1itz h ALA 183 CO 0.05 0.52 -0.24 0.78 0.00 0.00 0.00 179.25 180.36 1itz h GLY 184 N 1.09 0.76 1.63 0.00 0.00 -1.26 -2.49 103.07 102.80 1itz h GLY 184 Ca 0.28 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1itz h GLY 184 CO -0.04 0.67 0.12 0.84 0.00 0.00 0.00 176.54 178.13 1itz h HIS 185 N 0.45 0.48 -0.01 5.60 6.17 -0.80 -2.78 115.15 124.25 1itz h HIS 185 Ca 0.06 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1itz h HIS 185 Cb 0.79 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1itz h HIS 185 CO 0.07 0.39 -0.02 0.91 0.71 0.00 0.00 177.93 179.99 1itz n TRP 186 N -4.39 0.00 -3.53 5.26 8.01 0.47 -4.60 117.44 118.65 1itz n TRP 186 Ca 0.02 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 56.01 1itz n TRP 186 Cb 0.15 -0.01 0.08 0.00 -2.01 0.00 0.00 31.31 29.51 1itz n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1itz n GLY 187 N 1.19 -0.39 3.56 6.99 0.00 -0.95 -4.05 105.19 111.53 1itz n GLY 187 Ca 0.18 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1itz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1itz n LEU 188 N -4.36 4.96 0.26 0.99 4.77 -1.11 -4.52 117.00 118.00 1itz n LEU 188 Ca -0.21 -3.92 0.11 0.00 -0.03 0.00 0.00 56.01 51.96 1itz n LEU 188 Cb 0.64 -1.75 0.72 0.00 -2.33 0.00 0.00 43.42 40.71 1itz n LEU 188 CO 0.64 0.15 1.02 1.23 -1.33 0.00 0.00 177.39 179.10 1itz h GLY 189 N 12.57 0.00 -0.92 -0.72 0.00 -1.74 -2.13 103.07 110.12 1itz h GLY 189 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1itz h GLY 189 CO 1.47 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.29 1itz n LYS 190 N -4.01 1.74 -3.21 4.80 5.02 -1.26 -4.67 118.16 116.57 1itz n LYS 190 Ca -0.03 -1.12 -0.40 0.00 -2.02 0.00 0.00 58.31 54.74 1itz n LYS 190 Cb 0.17 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1itz n LYS 190 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1itz s LEU 191 N -1.42 4.06 -0.20 -0.35 2.96 -0.81 -1.26 118.68 121.65 1itz s LEU 191 Ca 0.30 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1itz s LEU 191 Cb 0.16 -2.71 0.05 0.00 0.50 0.00 0.00 46.19 44.19 1itz s LEU 191 CO 0.24 -0.30 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.29 1itz s ILE 192 N 2.32 1.29 -0.13 6.68 1.01 -0.04 -2.10 121.20 130.23 1itz s ILE 192 Ca 0.23 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1itz s ILE 192 Cb -0.16 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1itz s ILE 192 CO 0.09 -0.00 0.07 0.00 0.00 0.00 0.00 174.94 175.09 1itz s ALA 193 N 1.53 3.53 -0.24 9.38 0.00 -0.08 -2.05 121.76 133.83 1itz s ALA 193 Ca -0.03 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1itz s ALA 193 Cb -0.17 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1itz s ALA 193 CO -0.07 0.46 0.02 -0.06 0.00 0.00 0.00 175.76 176.11 1itz s PHE 194 N -0.50 3.03 -0.37 0.00 0.40 0.16 0.22 117.98 120.93 1itz s PHE 194 Ca 0.10 -0.63 -0.13 0.00 -0.60 0.00 0.00 56.93 55.67 1itz s PHE 194 Cb -0.12 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1itz s PHE 194 CO 0.02 -0.43 0.24 -0.47 0.70 0.00 0.00 175.22 175.28 1itz s TYR 195 N 1.55 3.23 -1.01 0.36 5.04 0.53 -1.21 117.35 125.83 1itz s TYR 195 Ca 0.06 -0.55 -0.23 0.00 -2.44 0.00 0.00 57.07 53.91 1itz s TYR 195 Cb -0.15 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.68 1itz s TYR 195 CO 0.01 -0.51 1.67 0.34 -1.34 0.00 0.00 175.55 175.72 1itz s ASP 196 N 1.66 5.97 -1.18 4.32 2.15 0.29 -0.75 116.67 129.13 1itz s ASP 196 Ca 0.05 -1.27 -0.20 0.00 0.43 0.00 0.00 52.55 51.56 1itz s ASP 196 Cb -0.18 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.94 1itz s ASP 196 CO 0.09 -2.00 1.59 -0.62 -0.17 0.00 0.00 175.17 174.06 1itz s ASP 197 N 6.07 6.72 0.00 -0.34 2.15 -0.09 -4.36 116.67 126.83 1itz s ASP 197 Ca 0.56 -2.09 0.08 0.00 0.43 0.00 0.00 52.55 51.54 1itz s ASP 197 Cb -0.02 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.19 1itz s ASP 197 CO -0.04 -1.27 1.00 -0.46 -0.17 0.00 0.00 175.17 174.22 1itz n ASN 198 N 8.38 2.24 -1.79 -0.34 0.23 -1.26 -2.33 115.26 120.39 1itz n ASN 198 Ca 0.42 -1.70 -0.20 0.00 -0.53 0.00 0.00 54.58 52.57 1itz n ASN 198 Cb 0.48 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 38.02 1itz n ASN 198 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1itz n HIS 199 N 0.38 -0.30 -4.33 -2.53 8.25 -1.26 -4.65 115.22 110.78 1itz n HIS 199 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 1itz n HIS 199 Cb 0.31 -3.52 -0.15 0.00 1.12 0.00 0.00 29.99 27.75 1itz n HIS 199 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1itz s ILE 200 N -2.78 0.66 0.04 1.59 -1.09 -1.26 -1.87 121.20 116.49 1itz s ILE 200 Ca 0.00 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1itz s ILE 200 Cb 0.00 -0.56 -0.00 0.00 -1.58 0.00 0.00 42.46 40.31 1itz s ILE 200 CO 0.00 0.19 0.03 -1.54 -1.23 0.00 0.00 174.94 172.39 1itz n SER 201 N 2.96 0.22 -0.09 3.58 3.41 -0.15 -4.80 113.62 118.75 1itz n SER 201 Ca -0.14 -1.25 -0.06 0.00 -0.26 0.00 0.00 58.87 57.15 1itz n SER 201 Cb 0.57 0.17 0.12 0.00 -0.26 0.00 0.00 64.21 64.81 1itz n SER 201 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1itz h ILE 202 N 1.11 1.26 0.00 -1.33 2.04 -1.98 -2.37 117.51 116.23 1itz h ILE 202 Ca -0.03 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1itz h ILE 202 Cb 0.14 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1itz h ILE 202 CO 0.04 0.40 0.00 0.47 0.00 0.00 0.00 178.15 179.07 1itz n ASP 203 N -4.16 0.00 0.00 1.72 9.92 -1.26 -4.96 116.55 117.81 1itz n ASP 203 Ca 0.01 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1itz n ASP 203 Cb 0.37 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1itz n ASP 203 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1itz n GLY 204 N 0.32 0.21 3.72 0.44 0.00 -0.89 -5.03 105.19 103.96 1itz n GLY 204 Ca 0.11 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1itz n GLY 204 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1itz n ASP 205 N 0.00 3.15 0.22 1.61 2.03 -1.26 -0.97 116.55 121.32 1itz n ASP 205 Ca 0.00 1.20 0.15 0.00 0.52 0.00 0.00 54.79 56.67 1itz n ASP 205 Cb 0.00 -1.53 0.66 0.00 -0.72 0.00 0.00 41.12 39.53 1itz n ASP 205 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1itz h THR 206 N 2.77 0.00 0.00 5.18 1.35 -1.71 -2.93 112.91 117.58 1itz h THR 206 Ca -0.47 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1itz h THR 206 Cb 1.27 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1itz h THR 206 CO 0.66 0.00 0.00 1.05 -0.25 0.00 0.00 175.52 176.98 1itz h GLU 207 N 0.00 0.00 0.00 4.72 4.11 -1.86 0.18 114.58 121.73 1itz h GLU 207 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1itz h GLU 207 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1itz h GLU 207 CO 0.00 0.00 -0.40 0.97 0.07 0.00 0.00 179.01 179.65 1itz h ILE 208 N 0.00 1.06 0.00 -1.06 2.10 -1.89 -3.40 117.51 114.32 1itz h ILE 208 Ca 0.00 -1.51 0.00 0.00 1.08 0.00 0.00 64.86 64.43 1itz h ILE 208 Cb 0.03 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 1itz h ILE 208 CO 0.00 0.40 0.00 0.00 -1.08 0.00 0.00 178.15 177.47 1itz n ALA 209 N -2.36 0.63 -3.41 0.18 0.00 -0.67 -5.06 120.51 109.83 1itz n ALA 209 Ca -0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1itz n ALA 209 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 1itz n ALA 209 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1itz s PHE 210 N 0.00 -0.06 -0.01 0.00 5.36 0.55 -4.97 117.98 118.84 1itz s PHE 210 Ca 0.00 -0.83 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 1itz s PHE 210 Cb 0.00 -0.58 0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1itz s PHE 210 CO 0.00 -0.91 0.94 0.25 -1.46 0.00 0.00 175.22 174.03 1itz n THR 211 N 4.59 0.92 -1.09 0.12 -2.24 -1.26 -4.30 114.28 111.01 1itz n THR 211 Ca 0.06 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.57 1itz n THR 211 Cb 0.43 0.50 0.12 0.00 -2.10 0.00 0.00 70.33 69.28 1itz n THR 211 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1itz s GLU 212 N -1.03 1.79 -0.90 -0.78 -1.05 -1.26 -4.94 118.70 110.52 1itz s GLU 212 Ca 0.04 1.24 -0.19 0.00 -0.15 0.00 0.00 54.97 55.91 1itz s GLU 212 Cb 0.03 -1.84 0.13 0.00 -0.44 0.00 0.00 34.13 32.02 1itz s GLU 212 CO 0.00 -2.00 1.08 0.34 0.95 0.00 0.00 175.26 175.64 1itz s ASP 213 N -3.19 6.61 0.13 0.83 -1.08 -1.26 -4.89 116.67 113.82 1itz s ASP 213 Ca 0.63 -2.03 -0.25 0.00 -0.52 0.00 0.00 52.55 50.38 1itz s ASP 213 Cb -0.19 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1itz s ASP 213 CO 0.57 -1.05 1.64 0.58 0.52 0.00 0.00 175.17 177.43 1itz h VAL 214 N 5.77 0.44 -0.71 1.11 2.07 -2.00 -1.75 116.25 121.17 1itz h VAL 214 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1itz h VAL 214 Cb 1.03 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1itz h VAL 214 CO 1.08 0.00 0.29 0.28 0.02 0.00 0.00 177.57 179.25 1itz h SER 215 N -0.34 0.30 -0.20 0.57 0.02 -2.00 -0.34 113.55 111.56 1itz h SER 215 Ca 0.08 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1itz h SER 215 Cb 0.45 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1itz h SER 215 CO -0.25 0.14 -0.16 0.74 -1.14 0.00 0.00 176.83 176.17 1itz h THR 216 N 0.47 1.25 -0.57 -2.27 2.02 -1.90 -2.24 112.91 109.67 1itz h THR 216 Ca 0.38 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1itz h THR 216 Cb 0.52 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1itz h THR 216 CO -0.36 0.38 0.28 -0.09 0.37 0.00 0.00 175.52 176.10 1itz h ARG 217 N 0.55 0.83 -0.44 6.66 2.43 -0.22 -1.75 114.38 122.44 1itz h ARG 217 Ca 0.09 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1itz h ARG 217 Cb 0.58 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1itz h ARG 217 CO 0.04 0.67 0.08 0.74 -1.51 0.00 0.00 179.97 179.99 1itz h PHE 218 N 0.78 0.69 -0.74 2.20 -1.00 -0.97 -1.47 116.94 116.43 1itz h PHE 218 Ca 0.20 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.86 1itz h PHE 218 Cb 0.12 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 1itz h PHE 218 CO -0.00 0.61 0.23 0.93 -1.61 0.00 0.00 178.31 178.47 1itz h GLU 219 N 0.65 1.15 -0.14 1.51 5.08 -0.96 -0.39 114.58 121.49 1itz h GLU 219 Ca 0.14 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1itz h GLU 219 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1itz h GLU 219 CO 0.00 0.98 -0.11 0.00 -1.00 0.00 0.00 179.01 178.88 1itz h ALA 220 N 1.14 1.56 0.00 3.43 0.00 -0.61 -1.12 119.26 123.65 1itz h ALA 220 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1itz h ALA 220 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1itz h ALA 220 CO -0.01 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1itz n LEU 221 N -4.30 0.00 0.00 0.00 4.77 -0.61 -4.89 117.00 111.97 1itz n LEU 221 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1itz n LEU 221 Cb 0.25 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1itz n LEU 221 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1itz n GLY 222 N 1.07 0.91 3.87 -0.72 0.00 -0.42 -3.92 105.19 105.97 1itz n GLY 222 Ca 0.18 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1itz n GLY 222 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1itz s TRP 223 N -2.00 3.43 0.06 1.61 0.52 -0.25 -4.52 118.94 117.78 1itz s TRP 223 Ca 0.00 1.00 -0.21 0.00 0.02 0.00 0.00 56.10 56.91 1itz s TRP 223 Cb 0.00 -2.38 -0.06 0.00 -1.15 0.00 0.00 33.47 29.88 1itz s TRP 223 CO 0.00 0.09 0.61 -1.58 0.02 0.00 0.00 176.95 176.10 1itz s HIS 224 N -2.07 3.78 0.04 -1.98 5.65 0.50 -4.26 115.29 116.95 1itz s HIS 224 Ca 0.50 1.31 0.07 0.00 0.25 0.00 0.00 55.06 57.20 1itz s HIS 224 Cb -0.11 -2.58 -0.02 0.00 -1.18 0.00 0.00 32.58 28.69 1itz s HIS 224 CO 0.24 0.50 -0.21 0.99 -0.65 0.00 0.00 174.74 175.61 1itz s THR 225 N -0.81 1.66 -0.02 0.89 2.01 -1.26 -0.47 115.64 117.64 1itz s THR 225 Ca 0.31 -1.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1itz s THR 225 Cb -0.20 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1itz s THR 225 CO 0.20 0.24 0.11 -0.63 -0.69 0.00 0.00 174.62 173.85 1itz s ILE 226 N -0.76 0.04 -0.16 1.82 1.01 -0.51 -4.96 121.20 117.68 1itz s ILE 226 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1itz s ILE 226 Cb -0.09 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.15 1itz s ILE 226 CO 0.01 -0.17 -0.11 0.86 0.00 0.00 0.00 174.94 175.53 1itz s TRP 227 N -0.53 2.06 -0.44 3.97 -0.00 -1.26 -0.79 118.94 121.94 1itz s TRP 227 Ca -0.06 -1.20 -0.14 0.00 -0.00 0.00 0.00 56.10 54.69 1itz s TRP 227 Cb -0.04 -1.51 0.06 0.00 -0.00 0.00 0.00 33.47 31.98 1itz s TRP 227 CO 0.00 -0.65 0.34 0.08 -0.00 0.00 0.00 176.95 176.72 1itz s VAL 228 N 1.52 5.04 0.25 5.86 1.01 0.15 -4.97 120.40 129.26 1itz s VAL 228 Ca 0.03 -1.01 0.13 0.00 0.00 0.00 0.00 61.98 61.13 1itz s VAL 228 Cb -0.14 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1itz s VAL 228 CO -0.09 -0.49 1.66 0.11 0.00 0.00 0.00 175.10 176.29 1itz h LYS 229 N 8.65 0.00 -3.29 2.72 1.57 -1.89 -2.29 116.57 122.04 1itz h LYS 229 Ca -0.27 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.81 1itz h LYS 229 Cb 1.11 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.06 1itz h LYS 229 CO 0.81 0.53 -0.13 1.21 -0.57 0.00 0.00 179.45 181.31 1itz s ASN 230 N -6.73 5.92 0.41 0.86 2.47 -1.26 -4.49 114.94 112.11 1itz s ASN 230 Ca -0.01 -3.76 0.28 0.00 0.42 0.00 0.00 52.86 49.79 1itz s ASN 230 Cb 0.12 -1.89 0.96 0.00 -1.45 0.00 0.00 41.25 39.00 1itz s ASN 230 CO 0.74 -0.17 1.81 1.23 -3.72 0.00 0.00 177.10 176.99 1itz h GLY 231 N 5.92 0.00 1.21 1.21 0.00 -0.42 -0.12 103.07 110.88 1itz h GLY 231 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 1itz h GLY 231 CO 0.85 0.00 -1.19 3.43 0.00 0.00 0.00 176.54 179.63 1itz h ASN 232 N 0.00 0.89 0.00 0.19 2.35 -1.87 -3.41 115.58 113.73 1itz h ASN 232 Ca 0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 1itz h ASN 232 Cb 0.63 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1itz h ASN 232 CO 0.00 1.60 0.00 0.35 -1.65 0.00 0.00 177.43 177.73 1itz n THR 233 N -3.82 0.18 -1.77 2.81 -2.24 -1.24 -4.85 114.28 103.36 1itz n THR 233 Ca -0.13 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 1itz n THR 233 Cb 0.96 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 70.37 1itz n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itz n GLY 234 N -0.09 4.89 0.20 3.38 0.00 -0.06 -4.75 105.19 108.77 1itz n GLY 234 Ca 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 1itz n GLY 234 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1itz h TYR 235 N 4.75 0.16 -0.06 1.61 -1.99 -1.91 -1.13 116.97 118.41 1itz h TYR 235 Ca 0.76 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 61.45 1itz h TYR 235 Cb 0.30 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1itz h TYR 235 CO 1.70 -0.01 -0.30 -0.44 -0.00 0.00 0.00 178.16 179.11 1itz h ASP 236 N 0.24 0.10 -0.65 3.88 3.32 -1.97 -1.40 116.42 119.94 1itz h ASP 236 Ca 0.26 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1itz h ASP 236 Cb 0.36 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1itz h ASP 236 CO -0.34 0.40 0.19 0.44 -1.72 0.00 0.00 179.24 178.21 1itz h ASP 237 N 0.09 0.96 -0.29 6.45 3.32 -1.62 0.17 116.42 125.50 1itz h ASP 237 Ca 0.01 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1itz h ASP 237 Cb 0.58 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1itz h ASP 237 CO 0.04 0.92 0.09 0.40 -1.72 0.00 0.00 179.24 178.98 1itz h ILE 238 N 0.95 1.20 -0.21 0.35 2.04 -0.84 -0.27 117.51 120.72 1itz h ILE 238 Ca 0.21 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1itz h ILE 238 Cb 0.32 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1itz h ILE 238 CO -0.00 0.21 0.11 0.03 0.00 0.00 0.00 178.15 178.49 1itz h ARG 239 N 0.30 0.22 -0.81 2.37 3.08 -1.05 -1.78 114.38 116.71 1itz h ARG 239 Ca 0.09 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1itz h ARG 239 Cb 0.23 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1itz h ARG 239 CO -0.00 0.15 0.54 0.00 -1.07 0.00 0.00 179.97 179.58 1itz h ALA 240 N 1.10 1.04 -0.56 0.04 0.00 -0.82 -1.46 119.26 118.59 1itz h ALA 240 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1itz h ALA 240 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1itz h ALA 240 CO -0.05 0.43 0.32 0.00 0.00 0.00 0.00 179.25 179.95 1itz h ALA 241 N 1.30 0.71 -0.70 0.00 0.00 -0.72 -0.26 119.26 119.59 1itz h ALA 241 Ca 0.30 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1itz h ALA 241 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1itz h ALA 241 CO -0.07 0.21 0.18 0.82 0.00 0.00 0.00 179.25 180.40 1itz h ILE 242 N 0.75 1.26 -0.01 0.00 2.04 -0.98 0.25 117.51 120.82 1itz h ILE 242 Ca 0.20 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1itz h ILE 242 Cb 0.01 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1itz h ILE 242 CO -0.03 0.37 0.01 0.50 0.00 0.00 0.00 178.15 178.99 1itz h LYS 243 N 1.06 0.01 -0.33 2.37 3.64 -0.81 -1.56 116.57 120.95 1itz h LYS 243 Ca 0.22 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1itz h LYS 243 Cb 0.35 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1itz h LYS 243 CO -0.00 0.05 0.01 1.49 -2.27 0.00 0.00 179.45 178.72 1itz h GLU 244 N -0.03 0.50 -0.64 1.90 4.81 -0.80 -2.63 114.58 117.70 1itz h GLU 244 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1itz h GLU 244 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1itz h GLU 244 CO -0.00 0.52 0.34 0.00 -0.73 0.00 0.00 179.01 179.15 1itz h ALA 245 N 1.53 0.82 0.00 2.92 0.00 -0.41 -2.12 119.26 122.00 1itz h ALA 245 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1itz h ALA 245 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1itz h ALA 245 CO 0.01 0.34 0.00 0.87 0.00 0.00 0.00 179.25 180.47 1itz h LYS 246 N 0.87 0.00 -0.21 0.00 1.57 -0.96 -2.94 116.57 114.91 1itz h LYS 246 Ca 0.22 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.82 1itz h LYS 246 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1itz h LYS 246 CO -0.04 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.23 1itz h ALA 247 N 2.17 0.52 -1.42 3.86 0.00 -1.06 -3.39 119.26 119.94 1itz h ALA 247 Ca 0.00 -0.54 -0.54 0.00 0.00 0.00 0.00 54.91 53.83 1itz h ALA 247 Cb 0.56 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1itz h ALA 247 CO 0.00 0.69 1.08 0.08 0.00 0.00 0.00 179.25 181.10 1itz s VAL 248 N -3.96 3.73 -0.76 0.00 1.01 -1.07 -4.87 120.40 114.48 1itz s VAL 248 Ca -0.09 0.48 0.24 0.00 0.00 0.00 0.00 61.98 62.61 1itz s VAL 248 Cb 0.10 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1itz s VAL 248 CO 0.87 -1.64 1.22 0.35 0.00 0.00 0.00 175.10 175.90 1itz n THR 249 N 6.54 0.16 0.85 3.92 -2.24 -1.26 -4.30 114.28 117.94 1itz n THR 249 Ca 0.06 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1itz n THR 249 Cb 0.49 0.17 0.10 0.00 -2.10 0.00 0.00 70.33 68.99 1itz n THR 249 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1itz n ASP 250 N -1.83 2.84 -3.88 3.42 5.75 -1.26 -3.83 116.55 117.76 1itz n ASP 250 Ca 0.04 -1.91 -0.11 0.00 -0.01 0.00 0.00 54.79 52.80 1itz n ASP 250 Cb 0.40 -0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.35 1itz n ASP 250 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1itz s LYS 251 N -1.77 0.25 0.60 0.11 1.02 -1.26 -4.45 119.74 114.24 1itz s LYS 251 Ca 0.26 -0.19 -0.18 0.00 0.02 0.00 0.00 55.97 55.89 1itz s LYS 251 Cb 0.18 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1itz s LYS 251 CO 0.27 -0.05 1.15 -1.25 -0.92 0.00 0.00 175.35 174.55 1itz s PRO 252 N -0.68 3.02 -0.11 -1.68 0.04 -1.15 -4.26 135.00 130.18 1itz s PRO 252 Ca -0.08 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1itz s PRO 252 Cb -0.05 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1itz s PRO 252 CO 0.00 -1.12 -0.15 0.99 0.04 0.00 0.00 177.00 176.77 1itz s THR 253 N -1.91 2.95 -0.28 1.26 2.01 -0.89 -0.37 115.64 118.41 1itz s THR 253 Ca 0.72 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1itz s THR 253 Cb -0.25 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1itz s THR 253 CO 0.34 0.54 0.11 -0.22 -0.69 0.00 0.00 174.62 174.70 1itz s LEU 254 N 0.09 3.75 -0.37 4.42 2.96 0.38 -0.91 118.68 129.01 1itz s LEU 254 Ca -0.06 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1itz s LEU 254 Cb -0.15 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.63 1itz s LEU 254 CO 0.05 -0.11 0.18 -0.63 -1.32 0.00 0.00 176.35 174.52 1itz s ILE 255 N 1.61 4.13 -0.29 6.68 1.01 0.13 -1.43 121.20 133.04 1itz s ILE 255 Ca 0.05 -1.16 -0.27 0.00 0.00 0.00 0.00 60.65 59.28 1itz s ILE 255 Cb -0.16 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1itz s ILE 255 CO 0.05 -0.30 0.97 -0.75 0.00 0.00 0.00 174.94 174.90 1itz s LYS 256 N 1.45 4.08 -0.29 2.79 2.20 0.03 -0.35 119.74 129.65 1itz s LYS 256 Ca 0.01 0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 1itz s LYS 256 Cb -0.21 -3.71 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1itz s LYS 256 CO 0.04 -0.76 -0.02 0.08 -0.36 0.00 0.00 175.35 174.32 1itz s VAL 257 N 3.31 2.88 -0.22 4.02 1.01 0.07 -0.68 120.40 130.79 1itz s VAL 257 Ca 0.41 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1itz s VAL 257 Cb -0.13 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1itz s VAL 257 CO 0.12 -0.04 1.06 -0.89 0.00 0.00 0.00 175.10 175.35 1itz s THR 258 N 1.25 4.64 0.29 3.92 2.01 -0.86 -0.91 115.64 125.98 1itz s THR 258 Ca -0.05 1.98 0.02 0.00 0.31 0.00 0.00 61.69 63.96 1itz s THR 258 Cb -0.19 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1itz s THR 258 CO -0.02 -0.18 0.13 0.42 -0.69 0.00 0.00 174.62 174.28 1itz s THR 259 N 3.23 0.42 -0.15 -0.82 -4.23 -0.99 0.20 115.64 113.31 1itz s THR 259 Ca 0.45 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1itz s THR 259 Cb -0.16 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 1itz s THR 259 CO 0.07 0.00 -0.16 0.42 -0.54 0.00 0.00 174.62 174.41 1itz s THR 260 N -3.66 2.59 0.36 3.99 -4.23 -1.26 -4.18 115.64 109.25 1itz s THR 260 Ca 0.36 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.79 1itz s THR 260 Cb 0.06 -2.08 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 1itz s THR 260 CO 0.16 0.52 1.40 -0.51 -0.54 0.00 0.00 174.62 175.65 1itz s ILE 261 N 0.74 2.35 -1.19 2.99 2.07 -1.26 -2.20 121.20 124.70 1itz s ILE 261 Ca -0.07 0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1itz s ILE 261 Cb -0.16 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 39.22 1itz s ILE 261 CO 0.01 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1itz n GLY 262 N 0.61 1.07 3.63 1.50 0.00 -0.89 -0.57 105.19 110.54 1itz n GLY 262 Ca 0.01 -0.48 -0.53 0.00 0.00 0.00 0.00 46.02 45.02 1itz n GLY 262 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1itz n PHE 263 N -2.86 1.71 0.00 1.61 7.35 -0.93 -1.55 117.46 122.79 1itz n PHE 263 Ca -0.12 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 1itz n PHE 263 Cb 0.41 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1itz n PHE 263 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1itz n GLY 264 N 3.05 2.68 3.58 7.13 0.00 -1.26 -4.74 105.19 115.63 1itz n GLY 264 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1itz n GLY 264 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1itz s SER 265 N -0.93 6.56 0.36 1.61 0.15 -0.60 -4.62 113.70 116.23 1itz s SER 265 Ca 0.00 0.27 0.09 0.00 0.70 0.00 0.00 55.95 57.01 1itz s SER 265 Cb 0.00 -2.48 0.83 0.00 -1.71 0.00 0.00 66.02 62.66 1itz s SER 265 CO 0.00 -1.09 1.89 1.55 1.20 0.00 0.00 173.24 176.80 1itz h PRO 266 N 9.05 0.65 -0.01 5.44 0.13 -1.88 -2.69 132.00 142.68 1itz h PRO 266 Ca -0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1itz h PRO 266 Cb 1.07 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1itz h PRO 266 CO 1.05 0.43 -0.28 0.09 -0.23 0.00 0.00 178.00 179.06 1itz n ASN 267 N -4.53 1.19 0.00 1.44 4.13 -1.26 -4.67 115.26 111.55 1itz n ASN 267 Ca 0.16 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.32 1itz n ASN 267 Cb 0.43 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 39.22 1itz n ASN 267 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1itz n LYS 268 N -0.38 3.02 -1.12 3.52 5.02 -1.21 -5.01 118.16 122.00 1itz n LYS 268 Ca 0.04 -0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 55.78 1itz n LYS 268 Cb 0.23 -0.69 0.12 0.00 -0.02 0.00 0.00 35.03 34.67 1itz n LYS 268 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itz n ALA 269 N -0.49 -0.26 -2.10 7.82 0.00 -1.02 -2.75 120.51 121.71 1itz n ALA 269 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 1itz n ALA 269 Cb 0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 1itz n ALA 269 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1itz n ASN 270 N -2.85 -4.38 -4.16 0.00 4.05 0.27 -4.96 115.26 103.24 1itz n ASN 270 Ca 0.13 0.21 -0.13 0.00 0.45 0.00 0.00 54.58 55.24 1itz n ASN 270 Cb 0.50 -3.78 -0.11 0.00 1.23 0.00 0.00 39.78 37.62 1itz n ASN 270 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1itz s SER 271 N -2.12 1.24 0.31 1.20 1.04 -1.11 -5.01 113.70 109.26 1itz s SER 271 Ca 0.00 -0.86 0.25 0.00 0.48 0.00 0.00 55.95 55.82 1itz s SER 271 Cb 0.00 0.05 1.09 0.00 0.10 0.00 0.00 66.02 67.26 1itz s SER 271 CO 0.00 -0.34 1.75 0.10 0.98 0.00 0.00 173.24 175.73 1itz h TYR 272 N 3.42 0.00 0.00 5.02 -0.00 -1.87 -2.81 116.97 120.73 1itz h TYR 272 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.33 1itz h TYR 272 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 1itz h TYR 272 CO 0.62 0.00 -0.19 0.66 -0.00 0.00 0.00 178.16 179.24 1itz h SER 273 N 0.00 0.00 0.14 0.10 4.64 -1.95 -2.71 113.55 113.77 1itz h SER 273 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1itz h SER 273 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1itz h SER 273 CO 0.00 0.19 -0.25 0.55 -0.87 0.00 0.00 176.83 176.46 1itz n VAL 274 N -3.99 0.00 0.18 0.95 3.14 -1.06 -4.34 118.33 113.21 1itz n VAL 274 Ca -0.02 -0.19 -0.14 0.00 -2.96 0.00 0.00 64.34 61.03 1itz n VAL 274 Cb 0.28 0.62 -0.08 0.00 -1.06 0.00 0.00 33.84 33.59 1itz n VAL 274 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1itz h HIS 275 N 1.76 -0.36 -1.14 1.45 6.17 -1.63 -0.33 115.15 121.08 1itz h HIS 275 Ca 0.00 -0.01 -0.37 0.00 0.71 0.00 0.00 60.37 60.70 1itz h HIS 275 Cb 0.57 0.12 -0.37 0.00 2.52 0.00 0.00 27.41 30.25 1itz h HIS 275 CO 0.00 -0.19 -1.11 0.41 0.71 0.00 0.00 177.93 177.75 1itz n GLY 276 N -1.14 1.99 3.48 5.26 0.00 -1.26 -4.00 105.19 109.52 1itz n GLY 276 Ca -0.10 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 1itz n GLY 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itz s SER 277 N -2.74 -0.60 0.44 1.61 1.04 -1.02 -4.63 113.70 107.81 1itz s SER 277 Ca 0.30 0.39 -0.25 0.00 0.48 0.00 0.00 55.95 56.86 1itz s SER 277 Cb 0.42 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 67.00 1itz s SER 277 CO -0.00 -0.74 1.33 0.00 0.98 0.00 0.00 173.24 174.81 1itz n ALA 278 N 0.33 1.58 -0.32 5.32 0.00 -1.26 -4.55 120.51 121.60 1itz n ALA 278 Ca -0.17 0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1itz n ALA 278 Cb 0.60 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 17.82 1itz n ALA 278 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1itz h LEU 279 N 2.10 1.02 0.00 0.00 4.07 -1.93 -3.49 115.31 117.07 1itz h LEU 279 Ca -0.49 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1itz h LEU 279 Cb 1.29 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1itz h LEU 279 CO 0.60 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 179.31 1itz n GLY 280 N -1.32 2.61 0.21 0.83 0.00 -1.26 -4.52 105.19 101.74 1itz n GLY 280 Ca 0.09 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 1itz n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itz h ALA 281 N 0.00 0.11 -0.35 4.61 0.00 -1.99 -0.52 119.26 121.12 1itz h ALA 281 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1itz h ALA 281 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1itz h ALA 281 CO 0.00 -0.54 0.21 -0.22 0.00 0.00 0.00 179.25 178.70 1itz h LYS 282 N -0.10 0.42 0.00 0.00 3.64 -2.00 -2.19 116.57 116.34 1itz h LYS 282 Ca 0.17 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1itz h LYS 282 Cb 0.36 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1itz h LYS 282 CO -0.41 0.28 -0.46 1.49 -2.27 0.00 0.00 179.45 178.08 1itz h GLU 283 N 0.44 0.00 -0.40 1.90 4.57 -1.74 -1.48 114.58 117.87 1itz h GLU 283 Ca 0.13 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1itz h GLU 283 Cb -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1itz h GLU 283 CO -0.05 0.46 -0.11 0.28 -1.18 0.00 0.00 179.01 178.41 1itz h VAL 284 N 0.00 1.28 -0.33 0.32 2.07 -0.83 0.22 116.25 118.97 1itz h VAL 284 Ca -0.00 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1itz h VAL 284 Cb 0.96 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1itz h VAL 284 CO 0.06 0.40 0.09 -0.08 0.02 0.00 0.00 177.57 178.06 1itz h GLU 285 N 0.59 0.53 -0.38 1.57 4.81 -1.23 -0.74 114.58 119.74 1itz h GLU 285 Ca 0.10 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1itz h GLU 285 Cb 0.63 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1itz h GLU 285 CO 0.04 0.58 0.07 0.00 -0.73 0.00 0.00 179.01 178.96 1itz h ALA 286 N 0.93 1.41 -0.11 2.92 0.00 -1.09 -1.58 119.26 121.75 1itz h ALA 286 Ca 0.11 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1itz h ALA 286 Cb 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1itz h ALA 286 CO -0.00 0.42 -0.72 1.15 0.00 0.00 0.00 179.25 180.10 1itz h THR 287 N 0.55 1.35 -0.52 0.00 2.02 -0.30 -1.75 112.91 114.26 1itz h THR 287 Ca 0.12 -2.07 -0.09 0.00 0.77 0.00 0.00 66.41 65.14 1itz h THR 287 Cb 0.25 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1itz h THR 287 CO 0.00 0.63 -0.06 0.03 0.37 0.00 0.00 175.52 176.50 1itz h ARG 288 N 0.36 0.92 -0.29 6.66 3.08 -0.69 -1.62 114.38 122.80 1itz h ARG 288 Ca -0.03 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 1itz h ARG 288 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1itz h ARG 288 CO 0.13 0.95 -0.23 1.96 -1.07 0.00 0.00 179.97 181.71 1itz h GLN 289 N 0.84 0.66 -0.85 0.04 4.20 -1.26 0.49 115.11 119.23 1itz h GLN 289 Ca 0.15 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1itz h GLN 289 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1itz h GLN 289 CO 0.03 0.93 0.53 -0.97 -0.67 0.00 0.00 178.83 178.69 1itz h ASN 290 N 0.40 1.01 0.39 1.46 -1.24 -1.13 -2.17 115.58 114.30 1itz h ASN 290 Ca 0.05 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1itz h ASN 290 Cb 0.79 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1itz h ASN 290 CO 0.06 0.77 -0.34 0.18 -1.29 0.00 0.00 177.43 176.81 1itz n LEU 291 N -4.44 0.71 -2.11 0.34 7.99 -0.62 -4.95 117.00 113.91 1itz n LEU 291 Ca 0.09 -0.10 -0.08 0.00 -0.01 0.00 0.00 56.01 55.91 1itz n LEU 291 Cb 0.05 -0.20 0.04 0.00 -0.11 0.00 0.00 43.42 43.20 1itz n LEU 291 CO 0.37 0.15 0.06 0.61 -1.51 0.00 0.00 177.39 177.07 1itz n GLY 292 N 1.41 0.09 3.17 -0.72 0.00 -0.35 -4.98 105.19 103.80 1itz n GLY 292 Ca 0.09 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1itz n GLY 292 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1itz s TRP 293 N -3.17 3.63 0.16 1.61 -0.11 0.16 -4.90 118.94 116.32 1itz s TRP 293 Ca 0.03 -2.61 -0.11 0.00 1.22 0.00 0.00 56.10 54.63 1itz s TRP 293 Cb -0.01 -3.39 0.02 0.00 -1.50 0.00 0.00 33.47 28.58 1itz s TRP 293 CO 0.34 -0.86 1.57 -1.00 -4.62 0.00 0.00 176.95 172.38 1itz h PRO 294 N 6.98 0.96 -6.01 5.86 0.13 -1.94 -3.44 132.00 134.53 1itz h PRO 294 Ca 0.06 -0.36 -0.58 0.00 -0.87 0.00 0.00 66.00 64.25 1itz h PRO 294 Cb 0.94 -0.06 0.20 0.00 0.13 0.00 0.00 31.00 32.22 1itz h PRO 294 CO 0.76 1.03 -1.42 0.66 -0.23 0.00 0.00 178.00 178.80 1itz n TYR 295 N -4.20 -3.78 -3.37 1.56 4.02 -1.26 -4.99 117.16 105.14 1itz n TYR 295 Ca 0.01 0.26 -0.15 0.00 -0.01 0.00 0.00 57.90 58.01 1itz n TYR 295 Cb 0.39 -1.59 0.02 0.00 -0.02 0.00 0.00 39.34 38.14 1itz n TYR 295 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1itz n ASP 296 N 2.83 1.77 -3.83 7.72 5.75 -1.26 -5.00 116.55 124.53 1itz n ASP 296 Ca 0.04 -2.14 -0.55 0.00 -0.01 0.00 0.00 54.79 52.14 1itz n ASP 296 Cb 0.51 -0.16 -0.08 0.00 -1.03 0.00 0.00 41.12 40.35 1itz n ASP 296 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1itz n THR 297 N -1.61 0.00 -3.69 2.12 -1.04 -1.26 -2.16 114.28 106.63 1itz n THR 297 Ca 0.05 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.81 1itz n THR 297 Cb 0.41 -0.41 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1itz n THR 297 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1itz n PHE 298 N 3.74 -2.52 -3.85 -1.42 3.01 -1.26 -4.99 117.46 110.16 1itz n PHE 298 Ca 0.29 0.96 -0.36 0.00 1.01 0.00 0.00 57.45 59.34 1itz n PHE 298 Cb -0.05 -4.64 -0.07 0.00 -0.01 0.00 0.00 39.48 34.72 1itz n PHE 298 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1itz s PHE 299 N -3.35 3.51 -0.26 1.38 5.36 -0.92 -5.07 117.98 118.62 1itz s PHE 299 Ca 0.49 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1itz s PHE 299 Cb -0.23 -2.01 0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1itz s PHE 299 CO 0.77 0.56 -0.07 0.08 -1.46 0.00 0.00 175.22 175.10 1itz s VAL 300 N -0.50 2.61 0.33 3.12 1.01 -1.26 -4.94 120.40 120.77 1itz s VAL 300 Ca 0.12 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 1itz s VAL 300 Cb -0.12 -2.42 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 1itz s VAL 300 CO 0.02 0.07 1.10 -2.65 0.00 0.00 0.00 175.10 173.64 1itz n PRO 301 N 4.58 1.61 -0.36 2.72 -0.02 -1.26 -4.76 135.00 137.51 1itz n PRO 301 Ca -0.15 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 1itz n PRO 301 Cb 0.45 -2.04 0.20 0.00 -0.02 0.00 0.00 33.50 32.08 1itz n PRO 301 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1itz h GLU 302 N 2.09 1.05 -0.06 -0.52 4.39 -1.98 -0.54 114.58 119.00 1itz h GLU 302 Ca -0.43 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 1itz h GLU 302 Cb 1.32 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1itz h GLU 302 CO 0.60 0.69 -0.38 0.38 -1.16 0.00 0.00 179.01 179.15 1itz h ASP 303 N 1.08 0.13 -0.17 1.42 -0.00 -1.99 0.40 116.42 117.29 1itz h ASP 303 Ca 0.46 -0.05 -0.19 0.00 -0.00 0.00 0.00 57.03 57.25 1itz h ASP 303 Cb 0.32 -0.04 0.01 0.00 -0.00 0.00 0.00 39.33 39.62 1itz h ASP 303 CO -0.22 0.50 -0.64 0.58 -0.00 0.00 0.00 179.24 179.46 1itz h VAL 304 N 0.11 1.30 -0.66 4.15 2.07 -1.71 -1.42 116.25 120.10 1itz h VAL 304 Ca 0.01 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.59 1itz h VAL 304 Cb 0.72 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1itz h VAL 304 CO 0.05 0.59 0.10 0.50 0.02 0.00 0.00 177.57 178.83 1itz h LYS 305 N 0.46 1.09 -0.32 1.57 3.64 -0.85 -1.82 116.57 120.34 1itz h LYS 305 Ca -0.03 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1itz h LYS 305 Cb 1.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1itz h LYS 305 CO 0.14 1.00 0.08 1.03 -2.27 0.00 0.00 179.45 179.43 1itz h SER 306 N 1.01 0.48 -0.20 4.20 0.87 -0.86 -1.75 113.55 117.31 1itz h SER 306 Ca 0.20 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1itz h SER 306 Cb 0.45 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1itz h SER 306 CO 0.01 0.58 0.03 -0.74 -0.53 0.00 0.00 176.83 176.18 1itz h HIS 307 N 0.36 0.04 0.00 2.24 -0.00 -1.02 -2.71 115.15 114.06 1itz h HIS 307 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1itz h HIS 307 Cb 0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1itz h HIS 307 CO 0.01 0.00 -0.21 -1.49 -0.00 0.00 0.00 177.93 176.25 1itz h TRP 308 N 0.10 0.00 0.00 5.26 4.06 -1.24 -3.16 115.95 120.96 1itz h TRP 308 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1itz h TRP 308 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1itz h TRP 308 CO -0.15 0.21 0.00 0.66 -3.56 0.00 0.00 178.44 175.59 1itz h SER 309 N 0.00 0.00 0.72 -3.49 4.64 -0.97 -2.30 113.55 112.15 1itz h SER 309 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1itz h SER 309 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1itz h SER 309 CO 0.03 0.00 -0.01 0.08 -0.87 0.00 0.00 176.83 176.06 1itz h ARG 310 N 0.00 0.00 0.00 4.77 0.11 -1.68 -2.92 114.38 114.66 1itz h ARG 310 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1itz h ARG 310 Cb 0.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 1itz h ARG 310 CO 0.00 0.01 -0.04 0.45 0.10 0.00 0.00 179.97 180.49 1itz h HIS 311 N 0.00 0.00 0.36 4.08 3.86 -1.68 -1.16 115.15 120.61 1itz h HIS 311 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1itz h HIS 311 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1itz h HIS 311 CO 0.00 0.04 -0.17 1.15 0.86 0.00 0.00 177.93 179.81 1itz h THR 312 N 0.00 0.43 -0.40 2.45 2.02 -1.75 0.18 112.91 115.84 1itz h THR 312 Ca -0.00 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.37 1itz h THR 312 Cb 0.14 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1itz h THR 312 CO 0.00 0.09 -0.23 1.55 0.37 0.00 0.00 175.52 177.31 1itz h PRO 313 N -0.97 0.80 -0.20 6.66 0.13 -1.70 -1.63 132.00 135.09 1itz h PRO 313 Ca -0.05 -0.33 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1itz h PRO 313 Cb 0.52 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1itz h PRO 313 CO 0.08 0.95 -0.30 0.93 -0.23 0.00 0.00 178.00 179.43 1itz h GLU 314 N 0.70 0.40 -0.42 0.86 5.08 -1.29 -1.42 114.58 118.48 1itz h GLU 314 Ca 0.09 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1itz h GLU 314 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1itz h GLU 314 CO 0.06 0.66 -0.13 0.78 -1.00 0.00 0.00 179.01 179.38 1itz h GLY 315 N 1.06 0.90 1.31 -3.84 0.00 -0.45 -1.24 103.07 100.81 1itz h GLY 315 Ca 0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 1itz h GLY 315 CO 0.05 0.69 0.20 0.00 0.00 0.00 0.00 176.54 177.49 1itz h ALA 316 N 0.84 1.25 -0.14 3.60 0.00 -0.96 -2.34 119.26 121.51 1itz h ALA 316 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1itz h ALA 316 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1itz h ALA 316 CO 0.05 0.54 -0.54 0.00 0.00 0.00 0.00 179.25 179.29 1itz h ALA 317 N 1.37 0.79 -0.50 0.00 0.00 -1.02 -1.28 119.26 118.63 1itz h ALA 317 Ca 0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1itz h ALA 317 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1itz h ALA 317 CO -0.01 0.69 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1itz h LEU 318 N 0.33 0.79 -0.64 0.00 3.38 -0.84 -1.00 115.31 117.33 1itz h LEU 318 Ca 0.01 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1itz h LEU 318 Cb 1.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1itz h LEU 318 CO 0.10 0.84 -0.35 -0.08 0.09 0.00 0.00 178.44 179.04 1itz h GLU 319 N 0.70 0.69 -0.68 1.13 4.81 -1.37 -1.97 114.58 117.89 1itz h GLU 319 Ca 0.15 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1itz h GLU 319 Cb 0.39 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1itz h GLU 319 CO 0.01 0.93 0.34 0.00 -0.73 0.00 0.00 179.01 179.56 1itz h ALA 320 N 1.04 0.87 -0.40 2.92 0.00 -0.92 0.12 119.26 122.90 1itz h ALA 320 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1itz h ALA 320 Cb 0.86 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1itz h ALA 320 CO 0.07 0.42 0.22 0.22 0.00 0.00 0.00 179.25 180.19 1itz h ASP 321 N 0.94 0.35 -0.56 0.00 1.82 -1.06 -0.67 116.42 117.23 1itz h ASP 321 Ca 0.24 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.78 1itz h ASP 321 Cb 0.09 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1itz h ASP 321 CO -0.03 0.25 -0.06 -0.25 -1.61 0.00 0.00 179.24 177.54 1itz h TRP 322 N 0.45 1.15 -0.67 0.28 7.01 -0.82 -2.38 115.95 120.98 1itz h TRP 322 Ca 0.16 -0.22 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1itz h TRP 322 Cb 0.03 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1itz h TRP 322 CO -0.08 1.04 0.41 -0.91 -2.79 0.00 0.00 178.44 176.12 1itz h ASN 323 N 0.94 0.79 -0.37 2.65 2.35 -0.33 -0.50 115.58 121.11 1itz h ASN 323 Ca 0.16 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1itz h ASN 323 Cb 0.62 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1itz h ASN 323 CO 0.04 0.61 0.20 0.00 -1.65 0.00 0.00 177.43 176.63 1itz h ALA 324 N 1.22 0.46 -0.96 -0.83 0.00 -0.97 -0.29 119.26 117.89 1itz h ALA 324 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1itz h ALA 324 Cb -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1itz h ALA 324 CO -0.05 -0.16 0.63 -0.22 0.00 0.00 0.00 179.25 179.45 1itz h LYS 325 N 0.41 1.17 -0.29 0.00 3.64 -0.90 -2.02 116.57 118.57 1itz h LYS 325 Ca 0.15 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1itz h LYS 325 Cb 0.04 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1itz h LYS 325 CO -0.09 0.78 -0.44 0.35 -2.27 0.00 0.00 179.45 177.78 1itz h PHE 326 N 1.21 0.91 -0.81 1.91 3.57 -0.51 -1.95 116.94 121.26 1itz h PHE 326 Ca 0.38 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1itz h PHE 326 Cb 0.01 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 1itz h PHE 326 CO -0.01 1.05 0.45 0.00 -2.23 0.00 0.00 178.31 177.58 1itz h ALA 327 N 0.90 1.04 0.00 2.41 0.00 -0.55 0.32 119.26 123.38 1itz h ALA 327 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1itz h ALA 327 Cb 1.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1itz h ALA 327 CO 0.09 0.54 -0.52 1.49 0.00 0.00 0.00 179.25 180.86 1itz h GLU 328 N 1.12 0.00 -0.19 0.00 4.81 -1.30 -2.67 114.58 116.36 1itz h GLU 328 Ca 0.29 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1itz h GLU 328 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1itz h GLU 328 CO -0.05 0.52 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.52 1itz h TYR 329 N 0.00 0.68 -0.44 0.92 5.03 -0.49 -2.99 116.97 119.68 1itz h TYR 329 Ca -0.01 -0.23 0.02 0.00 2.58 0.00 0.00 58.73 61.09 1itz h TYR 329 Cb 0.93 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 1itz h TYR 329 CO 0.00 0.96 0.29 1.49 -1.32 0.00 0.00 178.16 179.58 1itz h GLU 330 N 0.21 0.52 0.00 1.82 4.81 -0.18 -0.14 114.58 121.62 1itz h GLU 330 Ca 0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1itz h GLU 330 Cb 0.90 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1itz h GLU 330 CO 0.07 0.34 -0.56 1.57 -0.73 0.00 0.00 179.01 179.70 1itz h LYS 331 N 0.53 0.00 0.05 1.92 2.10 -1.46 -2.96 116.57 116.76 1itz h LYS 331 Ca 0.17 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.58 1itz h LYS 331 Cb 0.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1itz h LYS 331 CO -0.04 0.32 -1.27 0.87 -2.00 0.00 0.00 179.45 177.33 1itz h LYS 332 N 0.00 0.12 -2.31 0.07 1.57 -1.31 -3.41 116.57 111.29 1itz h LYS 332 Ca -0.03 -0.20 -0.64 0.00 -1.87 0.00 0.00 60.65 57.91 1itz h LYS 332 Cb 1.30 0.07 -0.39 0.00 0.08 0.00 0.00 32.23 33.30 1itz h LYS 332 CO 0.04 1.10 -0.26 0.66 -0.57 0.00 0.00 179.45 180.42 1itz n TYR 333 N -4.16 3.59 -0.27 -1.35 4.01 -0.10 -4.92 117.16 113.96 1itz n TYR 333 Ca -0.27 -3.71 0.09 0.00 -0.16 0.00 0.00 57.90 53.84 1itz n TYR 333 Cb 0.78 -0.68 0.23 0.00 -0.31 0.00 0.00 39.34 39.36 1itz n TYR 333 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1itz h ALA 334 N 3.75 1.12 -0.11 -0.72 0.00 -1.71 -0.61 119.26 120.97 1itz h ALA 334 Ca 0.22 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1itz h ALA 334 Cb 0.54 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1itz h ALA 334 CO 0.93 -0.37 -0.05 -0.44 0.00 0.00 0.00 179.25 179.31 1itz h ASP 335 N 0.27 0.24 -0.88 0.00 5.19 -1.91 -0.91 116.42 118.42 1itz h ASP 335 Ca 0.48 -0.41 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1itz h ASP 335 Cb 0.88 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.28 1itz h ASP 335 CO -0.56 0.60 0.52 0.44 -3.12 0.00 0.00 179.24 177.12 1itz h ASP 336 N -0.12 1.07 -0.68 6.45 3.45 -1.88 -2.12 116.42 122.59 1itz h ASP 336 Ca 0.03 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 1itz h ASP 336 Cb 0.50 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 1itz h ASP 336 CO 0.02 0.83 0.32 0.00 -1.57 0.00 0.00 179.24 178.83 1itz h ALA 337 N 1.35 0.88 -0.79 3.45 0.00 -0.97 -0.27 119.26 122.91 1itz h ALA 337 Ca 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1itz h ALA 337 Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1itz h ALA 337 CO -0.06 0.45 0.36 0.00 0.00 0.00 0.00 179.25 180.01 1itz h ALA 338 N 1.15 1.16 -0.23 0.00 0.00 -0.66 -0.02 119.26 120.66 1itz h ALA 338 Ca 0.23 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1itz h ALA 338 Cb 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1itz h ALA 338 CO -0.03 0.63 -0.34 1.15 0.00 0.00 0.00 179.25 180.66 1itz h THR 339 N 1.12 1.32 -0.39 0.00 2.02 -1.03 -3.04 112.91 112.91 1itz h THR 339 Ca 0.27 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 1itz h THR 339 Cb 0.13 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1itz h THR 339 CO -0.03 0.48 -0.03 0.25 0.37 0.00 0.00 175.52 176.56 1itz h LEU 340 N 0.33 0.60 -1.54 2.58 5.85 -0.81 -2.39 115.31 119.94 1itz h LEU 340 Ca 0.02 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1itz h LEU 340 Cb 0.93 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1itz h LEU 340 CO 0.08 0.69 0.18 0.11 -0.34 0.00 0.00 178.44 179.16 1itz h LYS 341 N 0.59 0.49 -0.76 1.25 1.57 -0.94 -1.12 116.57 117.65 1itz h LYS 341 Ca 0.12 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1itz h LYS 341 Cb 0.42 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1itz h LYS 341 CO 0.02 0.38 0.27 1.03 -0.57 0.00 0.00 179.45 180.57 1itz h SER 342 N 0.50 1.08 0.41 0.86 0.87 -1.32 0.84 113.55 116.79 1itz h SER 342 Ca 0.13 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1itz h SER 342 Cb 0.04 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1itz h SER 342 CO -0.02 0.98 -0.73 0.40 -0.53 0.00 0.00 176.83 176.92 1itz h ILE 343 N 1.12 1.42 -0.03 2.23 2.04 -1.36 -1.57 117.51 121.35 1itz h ILE 343 Ca 0.25 -2.25 -0.25 0.00 1.00 0.00 0.00 64.86 63.61 1itz h ILE 343 Cb 0.26 2.20 0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1itz h ILE 343 CO -0.01 0.66 -0.98 0.40 0.00 0.00 0.00 178.15 178.22 1itz h ILE 344 N 0.18 1.29 0.00 -0.67 2.04 -0.83 -0.10 117.51 119.42 1itz h ILE 344 Ca -0.03 -2.21 -0.15 0.00 1.00 0.00 0.00 64.86 63.47 1itz h ILE 344 Cb 1.30 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 39.65 1itz h ILE 344 CO 0.12 0.68 -1.60 0.35 0.00 0.00 0.00 178.15 177.70 1itz n THR 345 N -3.86 0.98 -0.29 -0.27 -2.24 0.26 -4.51 114.28 104.34 1itz n THR 345 Ca -0.10 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1itz n THR 345 Cb 0.85 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1itz n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itz n GLY 346 N 1.40 0.81 3.62 3.38 0.00 -0.59 -4.80 105.19 109.01 1itz n GLY 346 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1itz n GLY 346 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1itz s GLU 347 N -0.61 3.87 0.29 1.61 2.12 -1.24 -4.76 118.70 119.98 1itz s GLU 347 Ca 0.00 0.93 -0.28 0.00 0.36 0.00 0.00 54.97 55.98 1itz s GLU 347 Cb 0.00 -3.86 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 1itz s GLU 347 CO 0.00 -1.18 0.99 -0.51 -0.54 0.00 0.00 175.26 174.02 1itz s LEU 348 N 4.27 4.48 0.36 2.70 1.02 -1.26 -4.67 118.68 125.59 1itz s LEU 348 Ca 0.50 2.01 -0.26 0.00 0.02 0.00 0.00 54.13 56.41 1itz s LEU 348 Cb -0.12 -3.79 -0.12 0.00 0.02 0.00 0.00 46.19 42.18 1itz s LEU 348 CO 0.24 -0.06 0.95 -2.65 0.02 0.00 0.00 176.35 174.86 1itz n PRO 349 N 0.98 1.26 -1.95 1.29 -0.02 -1.26 -4.90 135.00 130.39 1itz n PRO 349 Ca 0.00 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1itz n PRO 349 Cb 0.48 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1itz n PRO 349 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1itz s THR 350 N -1.20 2.58 0.00 3.45 2.01 -1.26 -2.88 115.64 118.35 1itz s THR 350 Ca 0.61 0.46 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1itz s THR 350 Cb -0.63 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1itz s THR 350 CO 0.58 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 1itz n GLY 351 N 2.92 0.40 0.24 4.40 0.00 -1.26 -4.93 105.19 106.96 1itz n GLY 351 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1itz n GLY 351 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1itz h TRP 352 N 0.00 0.37 -0.07 1.61 5.08 -1.88 -2.35 115.95 118.71 1itz h TRP 352 Ca 0.00 -0.05 0.02 0.00 1.08 0.00 0.00 58.89 59.94 1itz h TRP 352 Cb 0.00 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 26.06 1itz h TRP 352 CO 0.00 0.49 0.05 0.28 -1.28 0.00 0.00 178.44 177.98 1itz h VAL 353 N 0.32 0.93 0.00 0.12 2.07 -1.92 -1.36 116.25 116.41 1itz h VAL 353 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1itz h VAL 353 Cb 0.46 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1itz h VAL 353 CO 0.03 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.09 1itz n ASP 354 N -4.46 0.58 0.06 0.57 8.00 -0.88 -2.41 116.55 118.01 1itz n ASP 354 Ca -0.01 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.27 1itz n ASP 354 Cb 0.16 -0.77 0.51 0.00 -0.02 0.00 0.00 41.12 41.00 1itz n ASP 354 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itz n ALA 355 N -1.74 2.30 -1.91 2.24 0.00 -0.51 -4.84 120.51 116.05 1itz n ALA 355 Ca 0.02 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1itz n ALA 355 Cb 0.22 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1itz n ALA 355 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1itz s LEU 356 N -3.80 4.47 0.79 0.00 1.43 -1.01 -4.76 118.68 115.80 1itz s LEU 356 Ca 0.12 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.45 1itz s LEU 356 Cb 0.15 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.83 1itz s LEU 356 CO 0.56 -0.36 1.19 -2.84 0.23 0.00 0.00 176.35 175.13 1itz s PRO 357 N -0.84 1.78 0.04 1.29 0.02 -1.26 -5.06 135.00 130.97 1itz s PRO 357 Ca 0.50 1.69 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1itz s PRO 357 Cb -0.34 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 1itz s PRO 357 CO 0.41 -2.09 -0.11 0.21 -0.33 0.00 0.00 177.00 175.09 1itz s LYS 358 N -4.17 0.71 0.21 5.54 2.20 -1.26 -4.86 119.74 118.10 1itz s LYS 358 Ca 0.72 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1itz s LYS 358 Cb -0.27 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.36 1itz s LYS 358 CO 0.50 0.15 0.04 0.71 -0.36 0.00 0.00 175.35 176.38 1itz s TYR 359 N -1.05 1.34 0.09 4.03 1.51 -1.26 -5.02 117.35 116.99 1itz s TYR 359 Ca -0.03 -1.08 0.02 0.00 -1.01 0.00 0.00 57.07 54.97 1itz s TYR 359 Cb -0.08 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1itz s TYR 359 CO 0.01 -0.25 -0.07 0.95 -1.11 0.00 0.00 175.55 175.08 1itz s THR 360 N -3.69 0.70 -1.35 -0.71 -4.23 -1.26 -4.89 115.64 100.22 1itz s THR 360 Ca 0.29 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1itz s THR 360 Cb 0.07 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.40 1itz s THR 360 CO 0.08 -0.78 0.68 -0.81 -0.54 0.00 0.00 174.62 173.25 1itz n PRO 361 N 0.22 0.00 0.02 3.99 -0.04 -1.26 -0.40 135.00 137.53 1itz n PRO 361 Ca -0.14 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1itz n PRO 361 Cb 0.60 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 1itz n PRO 361 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1itz n GLU 362 N -1.18 0.18 -2.24 0.54 4.71 -1.26 -4.75 120.64 116.65 1itz n GLU 362 Ca 0.00 0.01 -0.38 0.00 -0.01 0.00 0.00 57.16 56.79 1itz n GLU 362 Cb 0.03 -1.57 -0.01 0.00 -1.01 0.00 0.00 31.44 28.87 1itz n GLU 362 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1itz s SER 363 N -3.63 6.26 0.51 1.62 0.01 0.46 -4.95 113.70 113.98 1itz s SER 363 Ca 0.07 2.36 -0.23 0.00 1.31 0.00 0.00 55.95 59.46 1itz s SER 363 Cb 0.15 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 1itz s SER 363 CO 0.76 -0.86 1.35 -2.16 0.41 0.00 0.00 173.24 172.75 1itz s PRO 364 N -2.54 3.37 0.75 12.44 0.04 -1.26 -4.65 135.00 143.14 1itz s PRO 364 Ca 0.61 2.23 -0.13 0.00 0.04 0.00 0.00 61.00 63.76 1itz s PRO 364 Cb -0.30 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 31.90 1itz s PRO 364 CO 0.37 -1.01 1.12 0.20 0.04 0.00 0.00 177.00 177.73 1itz s GLY 365 N -0.88 1.93 0.11 0.56 0.00 -1.26 -4.84 107.32 102.95 1itz s GLY 365 Ca 0.68 0.50 -0.25 0.00 0.00 0.00 0.00 44.72 45.64 1itz s GLY 365 CO 0.49 0.86 0.68 -0.35 0.00 0.00 0.00 173.10 174.78 1itz s ASP 366 N -2.82 -0.52 0.38 1.64 3.68 -0.67 -4.84 116.67 113.51 1itz s ASP 366 Ca 0.66 0.02 -0.25 0.00 2.13 0.00 0.00 52.55 55.10 1itz s ASP 366 Cb -0.21 0.54 -0.09 0.00 -1.45 0.00 0.00 42.92 41.71 1itz s ASP 366 CO 0.50 -0.87 1.11 0.00 0.13 0.00 0.00 175.17 176.05 1itz s ALA 367 N -3.51 3.17 0.49 3.66 0.00 -1.26 -1.79 121.76 122.52 1itz s ALA 367 Ca 0.02 0.86 0.38 0.00 0.00 0.00 0.00 51.96 53.22 1itz s ALA 367 Cb -0.01 -3.33 1.99 0.00 0.00 0.00 0.00 23.12 21.77 1itz s ALA 367 CO -0.11 -0.36 2.23 1.79 0.00 0.00 0.00 175.76 179.31 1itz h THR 368 N 2.40 0.12 -0.37 0.00 1.35 -1.77 -0.79 112.91 113.85 1itz h THR 368 Ca -0.48 -0.20 -0.09 0.00 -0.55 0.00 0.00 66.41 65.09 1itz h THR 368 Cb 1.22 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1itz h THR 368 CO 0.63 0.02 -0.14 0.08 -0.25 0.00 0.00 175.52 175.86 1itz h ARG 369 N 0.00 0.66 -0.12 4.72 0.11 -1.85 0.56 114.38 118.46 1itz h ARG 369 Ca -0.00 -0.22 -0.23 0.00 0.10 0.00 0.00 59.98 59.63 1itz h ARG 369 Cb 0.17 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.21 1itz h ARG 369 CO 0.00 0.77 -0.84 -0.91 0.10 0.00 0.00 179.97 179.09 1itz h ASN 370 N 0.60 0.94 0.01 0.08 -0.26 -1.46 -2.77 115.58 112.72 1itz h ASN 370 Ca 0.10 -0.65 -0.05 0.00 -0.56 0.00 0.00 56.30 55.14 1itz h ASN 370 Cb 0.58 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 1itz h ASN 370 CO 0.04 1.45 -0.11 -0.07 -1.06 0.00 0.00 177.43 177.68 1itz h LEU 371 N 0.51 0.23 -0.68 1.61 3.38 -1.24 -1.86 115.31 117.26 1itz h LEU 371 Ca -0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1itz h LEU 371 Cb 1.48 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1itz h LEU 371 CO 0.17 0.37 0.32 -1.28 0.09 0.00 0.00 178.44 178.12 1itz h SER 372 N 0.23 0.90 -0.56 -0.43 0.87 -0.76 -1.82 113.55 111.98 1itz h SER 372 Ca 0.05 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1itz h SER 372 Cb 0.35 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1itz h SER 372 CO 0.02 0.79 0.25 -0.61 -0.53 0.00 0.00 176.83 176.75 1itz h GLN 373 N 0.95 0.85 -0.44 2.24 4.15 -1.06 0.36 115.11 122.16 1itz h GLN 373 Ca 0.23 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1itz h GLN 373 Cb 0.13 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1itz h GLN 373 CO -0.03 0.69 0.12 1.96 -1.93 0.00 0.00 178.83 179.64 1itz h GLN 374 N 0.85 0.69 -0.65 1.69 4.20 -0.97 -1.04 115.11 119.89 1itz h GLN 374 Ca 0.20 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1itz h GLN 374 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1itz h GLN 374 CO -0.02 0.69 0.26 0.00 -0.67 0.00 0.00 178.83 179.09 1itz h LEU 376 N 0.91 0.78 -0.78 0.00 3.38 -0.65 0.11 115.31 119.06 1itz h LEU 376 Ca 0.22 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1itz h LEU 376 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1itz h LEU 376 CO -0.02 0.69 -0.60 0.78 0.09 0.00 0.00 178.44 179.38 1itz h ASN 377 N 0.81 0.03 0.06 -0.43 4.21 -1.04 -1.75 115.58 117.47 1itz h ASN 377 Ca 0.20 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.69 1itz h ASN 377 Cb 0.12 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1itz h ASN 377 CO -0.03 0.63 -0.03 0.00 -1.29 0.00 0.00 177.43 176.71 1itz h ALA 378 N 1.37 -0.08 -0.49 -0.83 0.00 -0.59 -3.18 119.26 115.47 1itz h ALA 378 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1itz h ALA 378 Cb 1.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1itz h ALA 378 CO 0.08 -0.36 0.32 -0.07 0.00 0.00 0.00 179.25 179.21 1itz h LEU 379 N -0.44 0.56 -2.12 0.00 3.38 -0.92 -2.83 115.31 112.94 1itz h LEU 379 Ca -0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1itz h LEU 379 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1itz h LEU 379 CO 0.01 0.41 0.30 0.00 0.09 0.00 0.00 178.44 179.26 1itz h ALA 380 N 1.69 1.93 0.12 1.53 0.00 -1.29 0.18 119.26 123.41 1itz h ALA 380 Ca 0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1itz h ALA 380 Cb -0.07 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1itz h ALA 380 CO -0.04 -0.44 -1.21 -0.91 0.00 0.00 0.00 179.25 176.65 1itz h ASN 381 N 0.00 0.58 0.20 0.00 -0.26 -1.62 -3.38 115.58 111.10 1itz h ASN 381 Ca 0.13 -0.57 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1itz h ASN 381 Cb 0.74 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1itz h ASN 381 CO -0.00 1.41 -1.55 1.33 -1.06 0.00 0.00 177.43 177.57 1itz n VAL 382 N -3.65 0.11 -3.93 2.81 0.24 -0.47 -4.78 118.33 108.65 1itz n VAL 382 Ca -0.10 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.49 1itz n VAL 382 Cb 0.99 0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 33.37 1itz n VAL 382 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1itz s VAL 383 N -3.36 2.67 0.60 3.34 0.11 -0.07 -4.46 120.40 119.21 1itz s VAL 383 Ca -0.02 -2.09 0.30 0.00 -2.93 0.00 0.00 61.98 57.23 1itz s VAL 383 Cb 0.14 -2.84 0.36 0.00 -1.53 0.00 0.00 36.38 32.51 1itz s VAL 383 CO 0.87 -0.53 2.19 1.55 -3.33 0.00 0.00 175.10 175.85 1itz h PRO 384 N 7.81 0.00 -0.18 1.54 0.13 -1.86 -2.65 132.00 136.78 1itz h PRO 384 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1itz h PRO 384 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1itz h PRO 384 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 1itz n GLY 385 N -1.35 0.40 3.69 1.56 0.00 -1.26 -4.89 105.19 103.36 1itz n GLY 385 Ca -0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1itz n GLY 385 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1itz s LEU 386 N -1.58 4.31 -0.17 0.99 2.96 -1.00 -1.05 118.68 123.14 1itz s LEU 386 Ca 0.33 2.05 -0.24 0.00 -0.22 0.00 0.00 54.13 56.04 1itz s LEU 386 Cb 0.18 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.37 1itz s LEU 386 CO 0.27 -0.68 0.63 -0.51 -1.32 0.00 0.00 176.35 174.74 1itz s ILE 387 N 2.28 0.00 -4.56 6.68 2.07 -1.09 -4.95 121.20 121.63 1itz s ILE 387 Ca 0.62 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 1itz s ILE 387 Cb -0.30 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.39 1itz s ILE 387 CO 0.26 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.88 1itz n GLY 388 N 2.14 -1.16 0.00 1.50 0.00 -1.15 -1.88 105.19 104.63 1itz n GLY 388 Ca -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1itz n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itz n GLY 389 N 0.00 -1.17 3.65 -0.02 0.00 -0.72 -0.90 105.19 106.03 1itz n GLY 389 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1itz n GLY 389 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1itz s SER 390 N -4.00 4.67 -1.23 1.61 0.15 -1.23 -1.17 113.70 112.49 1itz s SER 390 Ca 0.00 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 56.05 1itz s SER 390 Cb 0.00 -0.95 0.15 0.00 -1.71 0.00 0.00 66.02 63.51 1itz s SER 390 CO 0.00 0.07 1.53 0.00 1.20 0.00 0.00 173.24 176.04 1itz n ALA 391 N -0.26 3.96 -1.70 5.45 0.00 -0.47 -2.51 120.51 124.98 1itz n ALA 391 Ca -0.09 -4.18 -0.18 0.00 0.00 0.00 0.00 53.44 48.98 1itz n ALA 391 Cb 0.56 -3.14 -0.06 0.00 0.00 0.00 0.00 19.45 16.80 1itz n ALA 391 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1itz n ASP 392 N 5.94 -5.17 -1.19 0.00 2.03 -1.12 -4.49 116.55 112.56 1itz n ASP 392 Ca 0.39 0.34 0.04 0.00 0.52 0.00 0.00 54.79 56.09 1itz n ASP 392 Cb 0.43 -4.25 0.10 0.00 -0.72 0.00 0.00 41.12 36.68 1itz n ASP 392 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1itz n LEU 393 N -2.15 1.77 -0.07 -2.67 7.99 -1.26 -4.89 117.00 115.71 1itz n LEU 393 Ca -0.19 -2.84 0.17 0.00 -0.01 0.00 0.00 56.01 53.14 1itz n LEU 393 Cb 0.60 -0.21 0.59 0.00 -0.11 0.00 0.00 43.42 44.30 1itz n LEU 393 CO 0.27 0.91 1.19 0.00 -1.51 0.00 0.00 177.39 178.25 1itz h ALA 394 N 1.07 2.28 0.00 -1.18 0.00 -1.89 0.43 119.26 119.96 1itz h ALA 394 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1itz h ALA 394 Cb 1.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1itz h ALA 394 CO 0.07 -0.45 -0.26 0.43 0.00 0.00 0.00 179.25 179.04 1itz n SER 395 N -4.43 0.28 -0.07 0.00 7.64 -1.26 -2.05 113.62 113.73 1itz n SER 395 Ca 0.11 0.12 -0.10 0.00 1.01 0.00 0.00 58.87 60.02 1itz n SER 395 Cb 0.54 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1itz n SER 395 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1itz n SER 396 N -1.53 2.83 0.13 6.43 7.64 -0.47 -4.56 113.62 124.09 1itz n SER 396 Ca 0.06 -0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1itz n SER 396 Cb 0.34 -0.23 0.16 0.00 -1.01 0.00 0.00 64.21 63.47 1itz n SER 396 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1itz h ASN 397 N -0.03 0.00 -4.45 6.43 2.35 -0.33 -3.48 115.58 116.06 1itz h ASN 397 Ca -0.31 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.27 1itz h ASN 397 Cb 1.47 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.96 1itz h ASN 397 CO -0.06 0.63 -0.52 0.23 -1.65 0.00 0.00 177.43 176.06 1itz n MET 398 N -3.71 -2.34 -0.04 0.81 2.81 -0.87 -4.84 117.12 108.95 1itz n MET 398 Ca -0.01 0.54 0.05 0.00 -1.81 0.00 0.00 57.70 56.47 1itz n MET 398 Cb 0.64 -4.36 0.06 0.00 -0.71 0.00 0.00 33.22 28.86 1itz n MET 398 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1itz n THR 399 N -2.71 0.22 -2.44 2.03 -2.24 -1.21 -4.03 114.28 103.90 1itz n THR 399 Ca -0.09 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 1itz n THR 399 Cb 0.59 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1itz n THR 399 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1itz s LEU 400 N -0.89 4.45 -0.56 3.22 1.43 -1.26 -4.84 118.68 120.24 1itz s LEU 400 Ca 0.14 2.14 -0.23 0.00 -1.03 0.00 0.00 54.13 55.15 1itz s LEU 400 Cb 0.09 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.76 1itz s LEU 400 CO 0.13 -0.32 0.89 -0.76 0.23 0.00 0.00 176.35 176.52 1itz s LEU 401 N -0.12 4.29 0.52 1.79 1.43 -1.26 -4.85 118.68 120.49 1itz s LEU 401 Ca 0.52 -0.54 0.28 0.00 -1.03 0.00 0.00 54.13 53.36 1itz s LEU 401 Cb -0.31 -2.70 1.40 0.00 0.03 0.00 0.00 46.19 44.61 1itz s LEU 401 CO 0.35 -1.20 1.90 0.11 0.23 0.00 0.00 176.35 177.74 1itz h LYS 402 N 9.29 0.07 -0.14 1.70 1.57 -1.96 -2.50 116.57 124.60 1itz h LYS 402 Ca -0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1itz h LYS 402 Cb 1.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1itz h LYS 402 CO 1.08 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 180.00 1itz n MET 403 N -4.33 1.50 -4.33 3.15 0.00 -1.26 -4.90 117.12 106.95 1itz n MET 403 Ca 0.17 -0.76 -0.17 0.00 0.00 0.00 0.00 57.70 56.94 1itz n MET 403 Cb 0.86 -1.32 -0.10 0.00 0.00 0.00 0.00 33.22 32.66 1itz n MET 403 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1itz s PHE 404 N -1.82 1.57 0.00 3.17 0.40 -0.94 -5.09 117.98 115.26 1itz s PHE 404 Ca 0.27 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1itz s PHE 404 Cb 0.14 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.79 1itz s PHE 404 CO 0.22 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.58 1itz n GLY 405 N -0.40 1.64 3.88 4.36 0.00 -1.26 -4.86 105.19 108.54 1itz n GLY 405 Ca -0.06 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1itz n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1itz s ASP 406 N -1.00 6.51 0.07 1.61 1.01 -1.26 -2.73 116.67 120.87 1itz s ASP 406 Ca 0.00 0.59 -0.31 0.00 0.71 0.00 0.00 52.55 53.54 1itz s ASP 406 Cb 0.00 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.76 1itz s ASP 406 CO 0.00 0.32 1.28 0.12 0.21 0.00 0.00 175.17 177.09 1itz s PHE 407 N -1.17 3.31 0.26 4.23 2.19 0.84 -4.62 117.98 123.01 1itz s PHE 407 Ca 0.23 1.15 -0.13 0.00 0.33 0.00 0.00 56.93 58.50 1itz s PHE 407 Cb -0.13 -3.52 0.00 0.00 -1.31 0.00 0.00 43.02 38.06 1itz s PHE 407 CO 0.12 -1.72 0.52 -0.65 1.83 0.00 0.00 175.22 175.31 1itz s GLN 408 N 1.26 1.63 0.54 10.12 -1.52 -1.22 -4.72 119.66 125.75 1itz s GLN 408 Ca 0.61 -1.26 0.22 0.00 -1.95 0.00 0.00 55.36 52.98 1itz s GLN 408 Cb -0.32 0.49 1.40 0.00 -0.22 0.00 0.00 33.01 34.36 1itz s GLN 408 CO 0.29 -0.69 2.08 1.57 -0.25 0.00 0.00 175.29 178.29 1itz h LYS 409 N 2.21 0.00 0.00 2.91 2.10 -1.82 -1.46 116.57 120.51 1itz h LYS 409 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1itz h LYS 409 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1itz h LYS 409 CO 0.34 0.00 -0.91 -0.25 -2.00 0.00 0.00 179.45 176.63 1itz n ASP 410 N -4.34 0.84 -2.61 7.07 8.00 -1.26 -4.39 116.55 119.85 1itz n ASP 410 Ca 0.03 -0.76 -0.13 0.00 0.71 0.00 0.00 54.79 54.64 1itz n ASP 410 Cb 0.34 0.84 0.03 0.00 -0.02 0.00 0.00 41.12 42.31 1itz n ASP 410 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1itz n THR 411 N -1.54 1.42 0.10 -3.53 -2.24 -0.70 -4.90 114.28 102.89 1itz n THR 411 Ca 0.04 -3.52 0.05 0.00 -2.27 0.00 0.00 64.05 58.35 1itz n THR 411 Cb 0.34 0.22 0.29 0.00 -2.10 0.00 0.00 70.33 69.08 1itz n THR 411 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1itz n ALA 412 N -0.26 1.05 1.01 6.98 0.00 -0.64 -1.50 120.51 127.15 1itz n ALA 412 Ca 0.17 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1itz n ALA 412 Cb 0.79 -1.16 0.51 0.00 0.00 0.00 0.00 19.45 19.59 1itz n ALA 412 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1itz n GLU 413 N -1.86 0.01 -1.71 0.00 0.00 -1.26 -4.19 120.64 111.62 1itz n GLU 413 Ca -0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.83 1itz n GLU 413 Cb 0.03 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.01 1itz n GLU 413 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1itz s GLU 414 N -2.99 2.85 0.00 3.44 0.41 -0.56 -4.86 118.70 116.99 1itz s GLU 414 Ca 0.13 1.24 0.12 0.00 -0.41 0.00 0.00 54.97 56.05 1itz s GLU 414 Cb 0.19 -1.97 0.16 0.00 -1.78 0.00 0.00 34.13 30.73 1itz s GLU 414 CO 0.58 -1.19 0.99 0.54 -0.49 0.00 0.00 175.26 175.69 1itz n ARG 415 N -2.62 1.25 -3.49 1.61 1.74 -1.25 -4.35 116.66 109.54 1itz n ARG 415 Ca 0.09 -1.45 -0.39 0.00 -0.77 0.00 0.00 57.85 55.33 1itz n ARG 415 Cb 0.53 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.62 1itz n ARG 415 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1itz s ASN 416 N -1.01 6.14 -0.23 0.55 0.01 -1.10 -2.96 114.94 116.34 1itz s ASN 416 Ca 0.17 0.11 -0.06 0.00 -0.71 0.00 0.00 52.86 52.37 1itz s ASN 416 Cb 0.11 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1itz s ASN 416 CO 0.16 -0.13 0.04 -0.69 -1.51 0.00 0.00 177.10 174.97 1itz s VAL 417 N 1.92 4.21 -0.45 1.60 1.01 -0.08 -0.11 120.40 128.50 1itz s VAL 417 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1itz s VAL 417 Cb -0.16 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1itz s VAL 417 CO 0.11 0.38 0.40 -0.13 0.00 0.00 0.00 175.10 175.85 1itz s ARG 418 N 1.30 3.01 0.26 2.72 1.81 -1.26 -3.55 118.95 123.23 1itz s ARG 418 Ca 0.04 -1.12 0.24 0.00 -1.72 0.00 0.00 55.73 53.18 1itz s ARG 418 Cb -0.15 -4.06 0.41 0.00 -0.45 0.00 0.00 34.95 30.70 1itz s ARG 418 CO 0.03 -0.94 1.49 0.74 -0.68 0.00 0.00 175.30 175.94 1itz h PHE 419 N 8.74 0.00 -0.13 -0.53 0.04 -1.85 -3.49 116.94 119.72 1itz h PHE 419 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1itz h PHE 419 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1itz h PHE 419 CO 0.62 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.74 1itz n GLY 420 N 1.22 -1.93 2.87 -1.45 0.00 -1.26 -4.18 105.19 100.46 1itz n GLY 420 Ca 0.04 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1itz n GLY 420 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1itz n VAL 421 N -0.12 4.46 -3.21 1.61 0.31 -1.26 -2.79 118.33 117.32 1itz n VAL 421 Ca 0.00 -4.56 -0.24 0.00 -0.01 0.00 0.00 64.34 59.54 1itz n VAL 421 Cb 0.00 -2.32 -0.07 0.00 -0.91 0.00 0.00 33.84 30.54 1itz n VAL 421 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1itz n ARG 422 N 3.57 1.03 0.11 5.55 1.74 -1.26 -5.01 116.66 122.39 1itz n ARG 422 Ca 0.38 -3.46 -0.12 0.00 -0.77 0.00 0.00 57.85 53.88 1itz n ARG 422 Cb 0.36 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1itz n ARG 422 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1itz h GLU 423 N 3.86 -0.38 -0.26 5.56 3.07 -1.93 -0.30 114.58 124.20 1itz h GLU 423 Ca 0.09 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1itz h GLU 423 Cb 0.86 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1itz h GLU 423 CO 0.52 -0.26 0.11 1.25 -1.40 0.00 0.00 179.01 179.24 1itz h HIS 424 N -0.40 0.21 -0.67 4.33 2.76 -1.89 -0.82 115.15 118.67 1itz h HIS 424 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1itz h HIS 424 Cb 0.42 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1itz h HIS 424 CO -0.20 0.11 0.37 0.78 -1.30 0.00 0.00 177.93 177.69 1itz h GLY 425 N 0.25 0.99 0.88 5.26 0.00 -1.79 -2.33 103.07 106.33 1itz h GLY 425 Ca 0.11 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.02 1itz h GLY 425 CO -0.09 0.42 0.14 1.98 0.00 0.00 0.00 176.54 178.99 1itz h MET 426 N 0.93 0.29 -0.37 4.80 -1.53 -0.20 -0.75 114.93 118.11 1itz h MET 426 Ca 0.24 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.48 1itz h MET 426 Cb 0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 30.99 1itz h MET 426 CO -0.04 0.19 0.24 0.78 0.14 0.00 0.00 176.91 178.23 1itz h GLY 427 N 0.30 0.52 1.55 1.39 0.00 -0.66 -1.76 103.07 104.41 1itz h GLY 427 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1itz h GLY 427 CO -0.08 0.19 -0.22 0.00 0.00 0.00 0.00 176.54 176.44 1itz h ALA 428 N 1.13 1.10 -0.62 3.60 0.00 -1.22 -1.68 119.26 121.57 1itz h ALA 428 Ca 0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1itz h ALA 428 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1itz h ALA 428 CO -0.03 0.56 0.20 0.82 0.00 0.00 0.00 179.25 180.79 1itz h ILE 429 N 0.47 1.25 -0.31 0.00 2.04 -0.87 -1.57 117.51 118.52 1itz h ILE 429 Ca 0.07 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 1itz h ILE 429 Cb 0.64 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1itz h ILE 429 CO 0.05 0.32 -0.07 0.00 0.00 0.00 0.00 178.15 178.45 1itz h ASN 431 N 0.47 0.77 -0.43 0.00 -0.26 -0.82 0.02 115.58 115.32 1itz h ASN 431 Ca 0.09 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.65 1itz h ASN 431 Cb 0.41 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 1itz h ASN 431 CO 0.02 0.77 0.12 1.23 -1.06 0.00 0.00 177.43 178.51 1itz h GLY 432 N 0.97 0.73 0.94 2.83 0.00 -0.15 -1.64 103.07 106.75 1itz h GLY 432 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1itz h GLY 432 CO 0.00 0.41 0.17 -2.22 0.00 0.00 0.00 176.54 174.90 1itz h ILE 433 N 0.55 1.17 -0.78 2.60 2.04 -0.74 -2.11 117.51 120.24 1itz h ILE 433 Ca 0.14 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1itz h ILE 433 Cb 0.29 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1itz h ILE 433 CO -0.00 0.18 0.52 0.00 0.00 0.00 0.00 178.15 178.84 1itz h ALA 434 N 1.02 1.47 -0.24 1.87 0.00 -0.84 -2.27 119.26 120.27 1itz h ALA 434 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1itz h ALA 434 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1itz h ALA 434 CO -0.01 0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1itz n LEU 435 N -4.43 2.02 -0.02 0.00 4.77 -0.63 -4.11 117.00 114.61 1itz n LEU 435 Ca 0.09 -0.88 -0.16 0.00 -0.03 0.00 0.00 56.01 55.03 1itz n LEU 435 Cb 0.06 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 1itz n LEU 435 CO 0.36 0.44 0.34 -0.74 -1.33 0.00 0.00 177.39 176.45 1itz h HIS 436 N 2.59 0.34 -2.81 -1.77 2.76 -0.76 -3.47 115.15 112.04 1itz h HIS 436 Ca 0.00 -0.19 -0.13 0.00 -2.20 0.00 0.00 60.37 57.85 1itz h HIS 436 Cb 0.57 -0.04 -0.25 0.00 1.55 0.00 0.00 27.41 29.25 1itz h HIS 436 CO 0.15 1.02 -0.28 -1.12 -1.30 0.00 0.00 177.93 176.40 1itz s SER 437 N -6.45 -0.40 0.53 3.26 0.01 -1.26 -5.05 113.70 104.33 1itz s SER 437 Ca -0.15 0.77 0.32 0.00 1.31 0.00 0.00 55.95 58.20 1itz s SER 437 Cb 0.01 0.77 1.73 0.00 0.21 0.00 0.00 66.02 68.74 1itz s SER 437 CO 0.76 -0.14 1.96 1.55 0.41 0.00 0.00 173.24 177.79 1itz h PRO 438 N 5.66 0.00 -0.00 12.44 0.13 -1.79 -2.43 132.00 146.01 1itz h PRO 438 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1itz h PRO 438 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1itz h PRO 438 CO 0.27 0.00 -0.21 0.41 -0.23 0.00 0.00 178.00 178.24 1itz n GLY 439 N -1.19 -1.15 3.76 1.56 0.00 -0.05 -4.56 105.19 103.57 1itz n GLY 439 Ca -0.02 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1itz n GLY 439 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1itz s PHE 440 N -2.77 3.56 -0.48 1.61 0.08 -0.92 -4.02 117.98 115.05 1itz s PHE 440 Ca 0.19 1.72 0.03 0.00 0.12 0.00 0.00 56.93 58.99 1itz s PHE 440 Cb 0.19 -3.19 0.16 0.00 -0.57 0.00 0.00 43.02 39.61 1itz s PHE 440 CO 0.56 -0.41 0.33 0.08 -0.10 0.00 0.00 175.22 175.68 1itz s VAL 441 N -1.31 1.16 0.34 -0.44 1.01 -0.22 -4.85 120.40 116.09 1itz s VAL 441 Ca 0.48 -2.88 -0.20 0.00 0.00 0.00 0.00 61.98 59.38 1itz s VAL 441 Cb -0.28 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 1itz s VAL 441 CO 0.36 -1.07 0.84 -2.16 0.00 0.00 0.00 175.10 173.07 1itz s PRO 442 N -0.08 4.23 0.01 2.72 0.04 -1.26 -2.68 135.00 137.99 1itz s PRO 442 Ca 0.25 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1itz s PRO 442 Cb -0.09 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1itz s PRO 442 CO -0.11 0.17 -0.03 1.52 0.04 0.00 0.00 177.00 178.59 1itz s TYR 443 N -1.88 0.24 0.05 0.56 1.13 -0.79 -0.99 117.35 115.67 1itz s TYR 443 Ca 0.54 -0.24 -0.01 0.00 -1.41 0.00 0.00 57.07 55.94 1itz s TYR 443 Cb -0.13 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1itz s TYR 443 CO 0.18 -0.07 -0.02 0.00 -2.51 0.00 0.00 175.55 173.13 1itz s ALA 445 N -3.41 -0.40 0.08 0.00 0.00 -0.32 -0.98 121.76 116.73 1itz s ALA 445 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1itz s ALA 445 Cb 0.04 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.55 1itz s ALA 445 CO -0.08 -0.42 0.49 -2.37 0.00 0.00 0.00 175.76 173.38 1itz n THR 446 N 0.44 0.00 -2.46 0.00 5.66 -1.19 -1.36 114.28 115.37 1itz n THR 446 Ca -0.18 -0.25 -0.41 0.00 -3.05 0.00 0.00 64.05 60.17 1itz n THR 446 Cb 0.60 0.35 -0.04 0.00 -1.55 0.00 0.00 70.33 69.69 1itz n THR 446 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1itz s PHE 447 N -4.06 3.54 0.31 1.09 0.08 -1.26 -2.61 117.98 115.07 1itz s PHE 447 Ca 0.11 1.61 0.09 0.00 0.12 0.00 0.00 56.93 58.85 1itz s PHE 447 Cb -0.01 -3.32 0.87 0.00 -0.57 0.00 0.00 43.02 39.99 1itz s PHE 447 CO 0.02 -0.73 1.71 0.35 -0.10 0.00 0.00 175.22 176.47 1itz h PHE 448 N 4.49 0.89 0.00 0.36 3.57 -1.41 0.21 116.94 125.05 1itz h PHE 448 Ca -0.46 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1itz h PHE 448 Cb 1.21 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1itz h PHE 448 CO 0.61 -0.01 -0.00 -0.24 -2.23 0.00 0.00 178.31 176.43 1itz h VAL 449 N 0.48 0.51 -0.31 1.41 3.04 -1.83 -2.24 116.25 117.32 1itz h VAL 449 Ca 0.63 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.32 1itz h VAL 449 Cb 1.25 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1itz h VAL 449 CO -0.52 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.53 1itz n PHE 450 N -3.82 0.56 0.27 3.17 3.72 0.75 -3.39 117.46 118.71 1itz n PHE 450 Ca -0.03 -0.24 0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1itz n PHE 450 Cb 0.08 -0.07 0.75 0.00 -0.94 0.00 0.00 39.48 39.29 1itz n PHE 450 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1itz h THR 451 N 1.87 0.50 -0.94 4.37 1.35 -1.50 -2.07 112.91 116.49 1itz h THR 451 Ca 0.00 -0.51 0.08 0.00 -0.55 0.00 0.00 66.41 65.43 1itz h THR 451 Cb 0.62 1.34 -0.06 0.00 -1.73 0.00 0.00 68.15 68.32 1itz h THR 451 CO 0.06 0.10 0.61 0.44 -0.25 0.00 0.00 175.52 176.48 1itz h ASP 452 N 0.00 0.93 0.23 5.36 3.45 -1.80 0.30 116.42 124.89 1itz h ASP 452 Ca -0.00 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 1itz h ASP 452 Cb 0.33 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1itz h ASP 452 CO 0.01 0.58 -0.27 1.88 -1.57 0.00 0.00 179.24 179.87 1itz h TYR 453 N 1.05 0.07 -0.15 4.55 -1.99 -1.65 -3.20 116.97 115.64 1itz h TYR 453 Ca 0.42 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.14 1itz h TYR 453 Cb 0.25 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1itz h TYR 453 CO -0.00 0.34 0.00 0.00 -0.00 0.00 0.00 178.16 178.49 1itz n MET 454 N -4.19 2.42 0.24 4.88 0.00 -0.32 -4.25 117.12 115.90 1itz n MET 454 Ca -0.02 -2.42 0.14 0.00 0.00 0.00 0.00 57.70 55.40 1itz n MET 454 Cb 0.34 -1.51 0.79 0.00 0.00 0.00 0.00 33.22 32.83 1itz n MET 454 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1itz h ARG 455 N 1.01 0.00 -0.18 3.17 2.43 -0.47 -2.30 114.38 118.03 1itz h ARG 455 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1itz h ARG 455 Cb 1.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1itz h ARG 455 CO 0.08 0.00 0.06 0.78 -1.51 0.00 0.00 179.97 179.39 1itz h GLY 456 N 0.00 0.30 1.66 2.80 0.00 -1.85 -1.04 103.07 104.94 1itz h GLY 456 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1itz h GLY 456 CO -0.00 0.16 -0.40 0.00 0.00 0.00 0.00 176.54 176.30 1itz h ALA 457 N 0.89 1.01 -0.35 3.60 0.00 -1.77 -2.84 119.26 119.79 1itz h ALA 457 Ca 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1itz h ALA 457 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1itz h ALA 457 CO -0.00 0.61 0.05 0.52 0.00 0.00 0.00 179.25 180.42 1itz h MET 458 N 0.31 0.59 -0.61 0.00 2.07 -1.22 -1.46 114.93 114.62 1itz h MET 458 Ca 0.03 -0.16 -0.00 0.00 -2.07 0.00 0.00 59.70 57.49 1itz h MET 458 Cb 0.84 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.47 1itz h MET 458 CO 0.07 0.67 0.37 -0.09 1.07 0.00 0.00 176.91 179.01 1itz h ARG 459 N 0.43 0.82 -0.19 1.72 2.43 -1.15 -1.40 114.38 117.03 1itz h ARG 459 Ca 0.11 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1itz h ARG 459 Cb 0.37 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1itz h ARG 459 CO 0.01 0.57 -0.28 0.82 -1.51 0.00 0.00 179.97 179.57 1itz h ILE 460 N 0.83 1.27 -0.38 1.20 1.08 -1.20 -1.23 117.51 119.08 1itz h ILE 460 Ca 0.22 -1.27 0.03 0.00 -0.39 0.00 0.00 64.86 63.46 1itz h ILE 460 Cb -0.05 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1itz h ILE 460 CO -0.04 0.39 0.17 0.28 -0.69 0.00 0.00 178.15 178.26 1itz h SER 461 N 0.32 0.23 -0.06 1.72 0.02 -0.20 0.52 113.55 116.09 1itz h SER 461 Ca 0.05 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1itz h SER 461 Cb 0.67 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1itz h SER 461 CO 0.05 0.17 0.01 0.00 -1.14 0.00 0.00 176.83 175.92 1itz h ALA 462 N 1.21 0.09 -0.41 3.77 0.00 -1.14 -0.90 119.26 121.88 1itz h ALA 462 Ca 0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1itz h ALA 462 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1itz h ALA 462 CO -0.13 -0.26 -0.21 1.25 0.00 0.00 0.00 179.25 179.90 1itz h LEU 463 N -0.15 0.82 -0.87 0.00 5.85 -1.00 -3.12 115.31 116.84 1itz h LEU 463 Ca 0.02 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1itz h LEU 463 Cb 0.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1itz h LEU 463 CO 0.00 1.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.57 1itz n SER 464 N -4.12 1.33 -3.33 1.25 3.41 0.18 -4.94 113.62 107.41 1itz n SER 464 Ca 0.00 -1.55 -0.18 0.00 -0.26 0.00 0.00 58.87 56.88 1itz n SER 464 Cb 0.43 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1itz n SER 464 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1itz n GLU 465 N 0.07 -6.56 -3.56 4.33 1.02 -0.74 -4.72 120.64 110.48 1itz n GLU 465 Ca 0.18 0.80 -0.39 0.00 -0.02 0.00 0.00 57.16 57.72 1itz n GLU 465 Cb 0.30 -5.69 -0.11 0.00 -0.02 0.00 0.00 31.44 25.92 1itz n GLU 465 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1itz s ALA 466 N -3.33 3.51 -1.25 0.62 0.00 -0.42 -4.44 121.76 116.46 1itz s ALA 466 Ca 0.13 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1itz s ALA 466 Cb -0.06 -2.59 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 1itz s ALA 466 CO 0.69 -0.80 2.57 0.41 0.00 0.00 0.00 175.76 178.62 1itz n GLY 467 N 5.09 3.67 3.77 0.00 0.00 -1.10 -3.19 105.19 113.43 1itz n GLY 467 Ca -0.13 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1itz n GLY 467 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itz s VAL 468 N 2.73 4.24 -0.29 1.61 1.01 -1.26 -4.51 120.40 123.92 1itz s VAL 468 Ca 0.55 1.83 -0.07 0.00 0.00 0.00 0.00 61.98 64.28 1itz s VAL 468 Cb 0.15 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1itz s VAL 468 CO -0.05 0.36 0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1itz s ILE 469 N -1.35 4.11 -0.40 2.22 1.01 -0.16 -1.81 121.20 124.82 1itz s ILE 469 Ca 0.43 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1itz s ILE 469 Cb -0.22 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1itz s ILE 469 CO 0.27 0.12 0.48 -0.31 0.00 0.00 0.00 174.94 175.50 1itz s TYR 470 N 1.54 3.16 -0.59 3.97 1.51 0.88 -2.02 117.35 125.80 1itz s TYR 470 Ca 0.04 -0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1itz s TYR 470 Cb -0.17 -2.94 0.11 0.00 -0.11 0.00 0.00 41.96 38.85 1itz s TYR 470 CO 0.03 -0.65 0.68 0.08 -1.11 0.00 0.00 175.55 174.58 1itz s VAL 471 N 2.29 4.87 -0.34 0.71 1.01 -0.16 -0.56 120.40 128.22 1itz s VAL 471 Ca 0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1itz s VAL 471 Cb -0.16 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.79 1itz s VAL 471 CO 0.14 -1.10 0.10 -0.04 0.00 0.00 0.00 175.10 174.20 1itz s MET 472 N 2.54 2.53 0.47 2.72 -1.94 -0.19 -3.16 119.30 122.27 1itz s MET 472 Ca 0.11 -1.27 0.08 0.00 -1.71 0.00 0.00 55.69 52.89 1itz s MET 472 Cb -0.25 -3.43 0.03 0.00 2.01 0.00 0.00 34.83 33.20 1itz s MET 472 CO 0.06 -0.71 0.64 0.95 -0.01 0.00 0.00 175.02 175.95 1itz s THR 473 N 1.35 2.75 -1.20 2.05 -4.23 -1.07 -0.10 115.64 115.19 1itz s THR 473 Ca -0.01 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1itz s THR 473 Cb -0.20 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1itz s THR 473 CO 0.01 0.00 1.00 1.41 -0.54 0.00 0.00 174.62 176.51 1itz n HIS 474 N -1.99 -2.21 0.77 3.99 8.25 0.08 -1.30 115.22 122.81 1itz n HIS 474 Ca 0.10 0.94 0.06 0.00 -0.26 0.00 0.00 57.72 58.56 1itz n HIS 474 Cb 0.60 -5.06 0.37 0.00 1.12 0.00 0.00 29.99 27.02 1itz n HIS 474 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1itz n ASP 475 N -3.10 0.00 -1.28 0.41 5.75 -0.94 -4.46 116.55 112.92 1itz n ASP 475 Ca -0.27 -0.29 -0.01 0.00 -0.01 0.00 0.00 54.79 54.20 1itz n ASP 475 Cb 0.66 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1itz n ASP 475 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1itz n SER 476 N -1.06 -0.33 0.18 -1.12 3.41 -1.26 -4.56 113.62 108.88 1itz n SER 476 Ca 0.09 -1.22 0.11 0.00 -0.26 0.00 0.00 58.87 57.59 1itz n SER 476 Cb 0.06 0.55 0.58 0.00 -0.26 0.00 0.00 64.21 65.13 1itz n SER 476 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1itz h ILE 477 N 1.15 0.00 0.00 -1.33 3.07 -1.84 -1.77 117.51 116.78 1itz h ILE 477 Ca -0.05 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.36 1itz h ILE 477 Cb 0.18 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 37.20 1itz h ILE 477 CO 0.06 0.00 0.01 1.23 -1.05 0.00 0.00 178.15 178.41 1itz h GLY 478 N 0.00 0.00 2.00 0.16 0.00 -1.93 -0.29 103.07 103.01 1itz h GLY 478 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itz h GLY 478 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.54 176.71 1itz h LEU 479 N 0.00 0.00 0.00 3.11 8.10 -1.64 -3.42 115.31 121.45 1itz h LEU 479 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1itz h LEU 479 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1itz h LEU 479 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 1itz n GLY 480 N 0.36 0.40 0.53 0.17 0.00 -0.12 -4.51 105.19 102.02 1itz n GLY 480 Ca 0.02 -0.73 0.36 0.00 0.00 0.00 0.00 46.02 45.68 1itz n GLY 480 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1itz h GLU 481 N 0.00 0.08 -0.31 1.61 3.07 -1.45 -2.49 114.58 115.10 1itz h GLU 481 Ca 0.00 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1itz h GLU 481 Cb 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1itz h GLU 481 CO 0.00 0.06 0.40 -0.44 -1.40 0.00 0.00 179.01 177.62 1itz h ASP 482 N 0.09 0.00 -4.54 1.42 3.32 -1.87 -3.39 116.42 111.45 1itz h ASP 482 Ca 0.67 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.72 1itz h ASP 482 Cb 2.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.97 1itz h ASP 482 CO -0.12 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 1itz n GLY 483 N -1.43 -2.68 0.34 2.75 0.00 -0.94 -4.55 105.19 98.69 1itz n GLY 483 Ca 0.05 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1itz n GLY 483 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1itz h PRO 484 N 0.00 0.50 0.00 1.61 0.13 -1.80 -0.95 132.00 131.48 1itz h PRO 484 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1itz h PRO 484 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1itz h PRO 484 CO 0.00 0.33 0.00 1.79 -0.23 0.00 0.00 178.00 179.89 1itz h THR 485 N 0.51 0.00 -0.00 1.56 1.35 -1.96 -2.96 112.91 111.41 1itz h THR 485 Ca 0.26 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1itz h THR 485 Cb 0.35 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1itz h THR 485 CO -0.07 0.00 -0.43 1.41 -0.25 0.00 0.00 175.52 176.17 1itz n HIS 486 N -2.90 0.00 -3.40 4.73 8.25 -0.41 -4.98 115.22 116.50 1itz n HIS 486 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1itz n HIS 486 Cb 0.16 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 1itz n HIS 486 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1itz s GLN 487 N -1.87 3.73 0.70 -0.41 -0.21 -0.90 -4.57 119.66 116.13 1itz s GLN 487 Ca 0.06 -0.26 -0.16 0.00 0.02 0.00 0.00 55.36 55.02 1itz s GLN 487 Cb 0.08 -3.75 0.02 0.00 1.00 0.00 0.00 33.01 30.37 1itz s GLN 487 CO 0.40 -0.43 1.21 -2.14 -2.12 0.00 0.00 175.29 172.21 1itz s PRO 488 N 2.04 2.30 0.32 2.91 0.02 -1.26 -4.77 135.00 136.55 1itz s PRO 488 Ca 0.13 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1itz s PRO 488 Cb -0.16 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1itz s PRO 488 CO 0.11 -1.71 0.00 -0.89 -0.33 0.00 0.00 177.00 174.18 1itz n ILE 489 N -2.50 0.00 1.32 2.83 2.08 -1.26 -4.53 119.36 117.30 1itz n ILE 489 Ca 0.13 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.58 1itz n ILE 489 Cb 0.50 -0.33 0.43 0.00 -0.75 0.00 0.00 39.64 39.49 1itz n ILE 489 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1itz n GLU 490 N -3.36 1.07 -0.20 0.38 0.00 -1.26 -1.24 120.64 116.03 1itz n GLU 490 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 57.16 56.47 1itz n GLU 490 Cb 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 31.44 29.98 1itz n GLU 490 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1itz h HIS 491 N 1.50 0.79 0.19 -1.84 3.86 -1.97 -1.72 115.15 115.96 1itz h HIS 491 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1itz h HIS 491 Cb 0.50 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1itz h HIS 491 CO 0.00 0.58 -0.09 -0.07 0.86 0.00 0.00 177.93 179.21 1itz h LEU 492 N 0.77 -0.22 -1.35 2.43 3.38 -1.97 -2.60 115.31 115.76 1itz h LEU 492 Ca 0.20 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1itz h LEU 492 Cb 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1itz h LEU 492 CO -0.03 -0.12 -0.32 -0.37 0.09 0.00 0.00 178.44 177.69 1itz h VAL 493 N -0.30 1.10 0.00 1.22 -1.51 -1.85 -1.11 116.25 113.80 1itz h VAL 493 Ca -0.03 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.29 1itz h VAL 493 Cb 0.23 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1itz h VAL 493 CO 0.04 0.31 -0.06 0.77 -1.23 0.00 0.00 177.57 177.40 1itz h SER 494 N 0.00 0.00 0.12 4.19 4.64 -0.96 -1.61 113.55 119.93 1itz h SER 494 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1itz h SER 494 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1itz h SER 494 CO 0.04 0.06 -1.98 0.49 -0.87 0.00 0.00 176.83 174.58 1itz n PHE 495 N -3.57 0.14 0.19 4.77 3.72 -0.71 -3.79 117.46 118.19 1itz n PHE 495 Ca -0.02 0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1itz n PHE 495 Cb 0.18 -0.69 0.34 0.00 -0.94 0.00 0.00 39.48 38.37 1itz n PHE 495 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1itz h ARG 496 N 0.00 0.00 0.00 -1.08 3.08 -0.62 -2.77 114.38 112.99 1itz h ARG 496 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1itz h ARG 496 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1itz h ARG 496 CO 0.01 0.38 -0.01 0.00 -1.07 0.00 0.00 179.97 179.29 1itz h ALA 497 N 1.62 1.00 -2.44 0.04 0.00 -1.45 -3.45 119.26 114.57 1itz h ALA 497 Ca -0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 1itz h ALA 497 Cb 0.87 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1itz h ALA 497 CO 0.05 0.01 0.46 1.41 0.00 0.00 0.00 179.25 181.18 1itz s MET 498 N -3.22 4.50 0.64 0.00 -2.45 -1.05 -5.01 119.30 112.71 1itz s MET 498 Ca 0.07 1.59 -0.16 0.00 -1.25 0.00 0.00 55.69 55.93 1itz s MET 498 Cb 0.05 -3.41 -0.01 0.00 1.25 0.00 0.00 34.83 32.72 1itz s MET 498 CO 0.67 -0.15 1.15 -2.14 1.05 0.00 0.00 175.02 175.60 1itz s PRO 499 N 1.04 2.77 -1.34 4.11 0.02 -1.26 -4.07 135.00 136.27 1itz s PRO 499 Ca 0.55 1.59 -0.04 0.00 0.02 0.00 0.00 61.00 63.12 1itz s PRO 499 Cb -0.25 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 1itz s PRO 499 CO 0.29 -1.31 0.53 -1.71 -0.33 0.00 0.00 177.00 174.46 1itz n ASN 500 N -2.15 -1.40 -3.71 2.53 5.15 -1.26 -4.72 115.26 109.70 1itz n ASN 500 Ca 0.12 -0.99 -0.12 0.00 -0.60 0.00 0.00 54.58 52.99 1itz n ASN 500 Cb 0.51 -3.24 -0.10 0.00 -0.53 0.00 0.00 39.78 36.42 1itz n ASN 500 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1itz s ILE 501 N -3.82 -0.01 -0.06 -1.44 2.07 -1.26 -4.29 121.20 112.38 1itz s ILE 501 Ca 0.10 0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.19 1itz s ILE 501 Cb -0.04 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.86 1itz s ILE 501 CO 0.87 0.01 0.46 -0.76 -1.91 0.00 0.00 174.94 173.62 1itz s LEU 502 N 0.67 4.36 -0.71 8.50 1.43 -0.72 -4.93 118.68 127.28 1itz s LEU 502 Ca -0.03 0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1itz s LEU 502 Cb -0.05 -2.67 0.18 0.00 0.03 0.00 0.00 46.19 43.67 1itz s LEU 502 CO -0.05 0.13 0.54 -0.32 0.23 0.00 0.00 176.35 176.88 1itz s MET 503 N -0.09 2.73 -0.05 1.70 -2.45 -1.26 -1.05 119.30 118.83 1itz s MET 503 Ca 0.25 -2.86 -0.20 0.00 -1.25 0.00 0.00 55.69 51.63 1itz s MET 503 Cb -0.16 -3.73 -0.05 0.00 1.25 0.00 0.00 34.83 32.14 1itz s MET 503 CO 0.12 -1.21 0.57 -0.51 1.05 0.00 0.00 175.02 175.04 1itz s LEU 504 N -0.63 4.36 -0.51 4.11 1.43 -0.15 -4.44 118.68 122.84 1itz s LEU 504 Ca 0.21 1.06 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1itz s LEU 504 Cb -0.15 -2.87 0.18 0.00 0.03 0.00 0.00 46.19 43.38 1itz s LEU 504 CO -0.07 0.04 0.42 -1.14 0.23 0.00 0.00 176.35 175.83 1itz n ARG 505 N 3.15 0.83 -1.81 1.70 0.63 -0.50 -0.70 116.66 119.96 1itz n ARG 505 Ca -0.06 -3.64 -0.40 0.00 -0.92 0.00 0.00 57.85 52.83 1itz n ARG 505 Cb 0.51 -1.84 0.01 0.00 0.45 0.00 0.00 32.46 31.59 1itz n ARG 505 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1itz s PRO 506 N -0.63 3.80 -0.03 -0.14 0.04 -1.26 -1.59 135.00 135.19 1itz s PRO 506 Ca 0.31 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 63.77 1itz s PRO 506 Cb 0.03 -2.74 -0.27 0.00 0.04 0.00 0.00 34.50 31.56 1itz s PRO 506 CO -0.17 -0.73 0.71 0.00 0.04 0.00 0.00 177.00 176.84 1itz h ALA 507 N 2.51 0.35 -2.74 8.56 0.00 -1.90 -3.37 119.26 122.67 1itz h ALA 507 Ca -0.51 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.19 1itz h ALA 507 Cb 1.26 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1itz h ALA 507 CO 0.62 1.21 0.00 -0.40 0.00 0.00 0.00 179.25 180.68 1itz n ASP 508 N -3.43 0.00 -0.13 0.00 5.68 -1.26 -4.68 116.55 112.73 1itz n ASP 508 Ca -0.21 -0.52 -0.04 0.00 -0.50 0.00 0.00 54.79 53.52 1itz n ASP 508 Cb 1.05 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 41.07 1itz n ASP 508 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1itz h GLY 509 N 0.00 0.50 1.24 6.12 0.00 -1.92 0.10 103.07 109.11 1itz h GLY 509 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1itz h GLY 509 CO 0.00 -0.03 -0.10 3.43 0.00 0.00 0.00 176.54 179.84 1itz h ASN 510 N 0.23 0.89 0.33 0.19 2.35 -1.91 -1.53 115.58 116.12 1itz h ASN 510 Ca 0.20 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1itz h ASN 510 Cb 0.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1itz h ASN 510 CO -0.25 1.01 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.67 1itz h GLU 511 N 0.80 0.22 -0.36 0.81 5.08 -1.75 -0.54 114.58 118.85 1itz h GLU 511 Ca 0.13 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1itz h GLU 511 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1itz h GLU 511 CO 0.04 0.70 0.03 1.15 -1.00 0.00 0.00 179.01 179.93 1itz h THR 512 N 0.17 1.25 -0.36 1.13 2.02 -0.54 0.31 112.91 116.89 1itz h THR 512 Ca 0.00 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 1itz h THR 512 Cb 0.99 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1itz h THR 512 CO 0.08 0.30 -0.14 0.00 0.37 0.00 0.00 175.52 176.14 1itz h ALA 513 N 0.89 1.08 -0.61 6.16 0.00 -1.17 -1.75 119.26 123.86 1itz h ALA 513 Ca 0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1itz h ALA 513 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1itz h ALA 513 CO 0.01 0.56 0.03 0.78 0.00 0.00 0.00 179.25 180.63 1itz h GLY 514 N 0.97 1.15 1.02 0.00 0.00 -0.55 -1.36 103.07 104.30 1itz h GLY 514 Ca 0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1itz h GLY 514 CO 0.04 0.76 0.44 0.00 0.00 0.00 0.00 176.54 177.78 1itz h ALA 515 N 1.00 1.04 -0.21 3.60 0.00 0.10 -1.61 119.26 123.18 1itz h ALA 515 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1itz h ALA 515 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1itz h ALA 515 CO 0.03 0.55 -0.27 1.88 0.00 0.00 0.00 179.25 181.44 1itz h TYR 516 N 1.13 0.44 -0.31 0.00 0.05 -1.07 0.04 116.97 117.25 1itz h TYR 516 Ca 0.28 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1itz h TYR 516 Cb 0.04 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1itz h TYR 516 CO 0.00 0.64 0.09 -0.22 -1.05 0.00 0.00 178.16 177.61 1itz h LYS 517 N 0.35 0.48 -0.39 4.88 3.64 -0.54 -0.84 116.57 124.16 1itz h LYS 517 Ca 0.05 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1itz h LYS 517 Cb 0.66 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1itz h LYS 517 CO 0.05 0.54 0.15 0.28 -2.27 0.00 0.00 179.45 178.20 1itz h VAL 518 N 0.33 1.20 -0.64 2.00 2.07 -1.12 -1.65 116.25 118.44 1itz h VAL 518 Ca 0.10 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1itz h VAL 518 Cb 0.27 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1itz h VAL 518 CO -0.00 0.22 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1itz h ALA 519 N 0.99 0.81 -0.31 1.67 0.00 -0.77 -1.32 119.26 120.34 1itz h ALA 519 Ca 0.13 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1itz h ALA 519 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1itz h ALA 519 CO -0.01 0.22 -0.44 0.28 0.00 0.00 0.00 179.25 179.31 1itz h VAL 520 N 0.85 1.28 0.00 0.00 2.07 -1.08 -3.06 116.25 116.32 1itz h VAL 520 Ca 0.24 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1itz h VAL 520 Cb -0.08 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1itz h VAL 520 CO -0.06 0.53 -0.18 -0.07 0.02 0.00 0.00 177.57 177.80 1itz h LEU 521 N 0.64 0.00 -7.72 2.57 3.38 -0.87 -3.36 115.31 109.95 1itz h LEU 521 Ca 0.04 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.26 1itz h LEU 521 Cb 1.01 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.54 1itz h LEU 521 CO 0.10 0.18 0.88 0.20 0.09 0.00 0.00 178.44 179.89 1itz s ASN 522 N -6.29 7.06 0.00 -0.43 -0.87 -0.54 -4.81 114.94 109.07 1itz s ASN 522 Ca -0.02 -3.03 0.30 0.00 -1.57 0.00 0.00 52.86 48.54 1itz s ASN 522 Cb 0.13 -2.32 1.43 0.00 -0.02 0.00 0.00 41.25 40.46 1itz s ASN 522 CO 0.62 -0.63 2.00 0.54 -2.57 0.00 0.00 177.10 177.06 1itz n ARG 523 N 4.69 0.43 -0.10 -0.60 5.12 -1.26 -3.38 116.66 121.56 1itz n ARG 523 Ca 0.29 -0.04 0.04 0.00 -1.93 0.00 0.00 57.85 56.20 1itz n ARG 523 Cb 0.43 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.32 1itz n ARG 523 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1itz n LYS 524 N -1.25 2.52 -3.62 5.56 4.01 -1.26 -2.70 118.16 121.42 1itz n LYS 524 Ca 0.14 -1.73 -0.10 0.00 -0.51 0.00 0.00 58.31 56.10 1itz n LYS 524 Cb 0.26 -1.17 -0.10 0.00 -0.51 0.00 0.00 35.03 33.50 1itz n LYS 524 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1itz s ARG 525 N -0.95 0.27 0.75 1.97 3.52 -1.22 -4.37 118.95 118.93 1itz s ARG 525 Ca 0.14 0.88 -0.15 0.00 -0.13 0.00 0.00 55.73 56.47 1itz s ARG 525 Cb 0.08 0.11 0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1itz s ARG 525 CO 0.10 -0.32 1.24 -1.25 -0.81 0.00 0.00 175.30 174.26 1itz s PRO 526 N 2.55 1.99 -0.03 5.12 0.04 -1.19 -4.68 135.00 138.79 1itz s PRO 526 Ca 0.01 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.95 1itz s PRO 526 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1itz s PRO 526 CO -0.12 -1.98 -0.12 -1.12 0.04 0.00 0.00 177.00 173.70 1itz s SER 527 N -1.88 1.57 -0.14 6.66 0.01 -0.75 -1.76 113.70 117.40 1itz s SER 527 Ca 0.77 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.77 1itz s SER 527 Cb -0.32 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 1itz s SER 527 CO 0.46 0.10 -0.12 -0.63 0.41 0.00 0.00 173.24 173.47 1itz s ILE 528 N 0.12 3.13 -0.25 1.44 1.01 -0.21 -0.09 121.20 126.34 1itz s ILE 528 Ca -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1itz s ILE 528 Cb -0.09 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1itz s ILE 528 CO 0.01 0.51 -0.01 -0.76 0.00 0.00 0.00 174.94 174.69 1itz s LEU 529 N 0.49 3.31 -0.42 2.97 1.02 0.27 -0.98 118.68 125.35 1itz s LEU 529 Ca -0.08 -0.69 -0.21 0.00 0.02 0.00 0.00 54.13 53.17 1itz s LEU 529 Cb -0.16 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.32 1itz s LEU 529 CO 0.04 -0.12 0.63 0.00 0.02 0.00 0.00 176.35 176.93 1itz s ALA 530 N 1.42 3.37 0.08 4.21 0.00 0.12 -1.02 121.76 129.94 1itz s ALA 530 Ca 0.02 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.91 1itz s ALA 530 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1itz s ALA 530 CO -0.02 -1.68 -0.11 -0.51 0.00 0.00 0.00 175.76 173.45 1itz s LEU 531 N 2.78 3.00 0.44 0.00 1.43 0.86 -4.19 118.68 123.00 1itz s LEU 531 Ca 0.23 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 1itz s LEU 531 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1itz s LEU 531 CO 0.18 0.21 0.79 -0.94 0.23 0.00 0.00 176.35 176.82 1itz s SER 532 N -1.95 6.43 -0.11 2.29 1.04 -1.26 -0.74 113.70 119.40 1itz s SER 532 Ca 0.20 1.09 -0.00 0.00 0.48 0.00 0.00 55.95 57.71 1itz s SER 532 Cb -0.11 -2.31 -0.25 0.00 0.10 0.00 0.00 66.02 63.45 1itz s SER 532 CO 0.11 -0.48 0.40 -2.11 0.98 0.00 0.00 173.24 172.14 1itz n ARG 533 N -1.66 0.72 -2.75 4.02 -4.01 -1.26 -2.97 116.66 108.74 1itz n ARG 533 Ca 0.02 0.26 -0.31 0.00 -1.04 0.00 0.00 57.85 56.78 1itz n ARG 533 Cb 0.54 -1.71 -0.04 0.00 -3.04 0.00 0.00 32.46 28.21 1itz n ARG 533 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 1itz s GLN 534 N -2.56 3.86 0.29 2.89 0.00 -1.26 -4.78 119.66 118.10 1itz s GLN 534 Ca -0.18 0.64 -0.29 0.00 -0.00 0.00 0.00 55.36 55.53 1itz s GLN 534 Cb 0.07 -2.32 -0.10 0.00 0.00 0.00 0.00 33.01 30.67 1itz s GLN 534 CO 0.78 -0.08 1.27 0.15 0.00 0.00 0.00 175.29 177.40 1itz s LYS 535 N -3.81 4.42 0.13 9.60 1.02 -1.26 -4.11 119.74 125.72 1itz s LYS 535 Ca 0.54 2.10 0.08 0.00 0.02 0.00 0.00 55.97 58.71 1itz s LYS 535 Cb -0.10 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1itz s LYS 535 CO 0.29 -0.13 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.91 1itz s LEU 536 N -1.32 2.37 0.43 3.17 1.02 -0.74 -4.84 118.68 118.77 1itz s LEU 536 Ca 0.50 -0.77 -0.13 0.00 0.02 0.00 0.00 54.13 53.76 1itz s LEU 536 Cb -0.38 -0.76 -0.07 0.00 0.02 0.00 0.00 46.19 45.00 1itz s LEU 536 CO 0.47 -0.03 0.82 -2.16 0.02 0.00 0.00 176.35 175.48 1itz s PRO 537 N -2.37 3.85 -0.03 1.29 0.04 -1.26 -1.68 135.00 134.84 1itz s PRO 537 Ca 0.09 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1itz s PRO 537 Cb -0.07 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1itz s PRO 537 CO 0.05 -0.08 1.02 -1.01 0.04 0.00 0.00 177.00 177.01 1itz s HIS 538 N -2.40 3.57 0.04 0.56 3.76 -1.26 -4.76 115.29 114.81 1itz s HIS 538 Ca 0.54 1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 57.02 1itz s HIS 538 Cb -0.10 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 1itz s HIS 538 CO 0.30 -0.24 0.25 -0.51 -0.85 0.00 0.00 174.74 173.69 1itz s LEU 539 N 1.42 4.35 0.30 0.89 1.43 -1.26 -4.48 118.68 121.33 1itz s LEU 539 Ca 0.51 0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 53.76 1itz s LEU 539 Cb -0.21 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 1itz s LEU 539 CO 0.24 0.20 0.99 -2.16 0.23 0.00 0.00 176.35 175.84 1itz s PRO 540 N -2.18 4.62 0.00 1.29 0.04 -1.26 -3.60 135.00 133.91 1itz s PRO 540 Ca 0.32 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1itz s PRO 540 Cb -0.13 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1itz s PRO 540 CO 0.22 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.95 1itz n GLY 541 N 0.94 2.79 3.81 0.56 0.00 -1.26 -4.79 105.19 107.24 1itz n GLY 541 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1itz n GLY 541 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1itz s THR 542 N -2.70 4.40 0.09 2.61 -4.23 -1.24 -4.59 115.64 109.99 1itz s THR 542 Ca 0.00 1.48 -0.23 0.00 -1.18 0.00 0.00 61.69 61.76 1itz s THR 542 Cb 0.00 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 70.14 1itz s THR 542 CO 0.00 -0.08 0.57 -0.94 -0.54 0.00 0.00 174.62 173.63 1itz s SER 543 N -1.95 -0.52 0.20 3.99 1.04 -1.26 -4.91 113.70 110.29 1itz s SER 543 Ca 0.55 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 57.00 1itz s SER 543 Cb -0.13 0.55 0.21 0.00 0.10 0.00 0.00 66.02 66.75 1itz s SER 543 CO 0.18 -0.83 1.77 0.40 0.98 0.00 0.00 173.24 175.74 1itz h ILE 544 N 2.41 0.87 -0.51 -1.02 5.03 -1.95 -2.35 117.51 119.99 1itz h ILE 544 Ca -0.32 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.23 1itz h ILE 544 Cb 1.25 0.35 -0.02 0.00 -3.03 0.00 0.00 36.82 35.37 1itz h ILE 544 CO 0.40 0.09 0.22 -0.33 -0.68 0.00 0.00 178.15 177.84 1itz h GLU 545 N 0.47 0.72 -0.40 2.37 3.07 -1.96 -2.75 114.58 116.11 1itz h GLU 545 Ca 0.27 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1itz h GLU 545 Cb 0.26 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1itz h GLU 545 CO -0.23 0.58 0.21 0.78 -1.40 0.00 0.00 179.01 178.95 1itz h GLY 546 N 0.85 0.60 0.14 -3.84 0.00 -1.82 -2.97 103.07 96.03 1itz h GLY 546 Ca 0.18 -0.28 0.14 0.00 0.00 0.00 0.00 47.33 47.37 1itz h GLY 546 CO -0.02 0.27 0.26 -2.08 0.00 0.00 0.00 176.54 174.96 1itz h VAL 547 N 0.51 0.64 0.00 4.60 2.07 -1.33 0.46 116.25 123.20 1itz h VAL 547 Ca 0.14 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1itz h VAL 547 Cb 0.07 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1itz h VAL 547 CO -0.02 0.07 0.11 -0.33 0.02 0.00 0.00 177.57 177.42 1itz h GLU 548 N 0.39 0.00 0.00 1.57 5.08 -1.52 0.19 114.58 120.30 1itz h GLU 548 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1itz h GLU 548 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1itz h GLU 548 CO -0.41 0.00 -0.74 1.63 -1.00 0.00 0.00 179.01 178.49 1itz n LYS 549 N -2.40 0.09 0.00 2.33 4.01 0.16 -4.89 118.16 117.45 1itz n LYS 549 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1itz n LYS 549 Cb 0.14 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1itz n LYS 549 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1itz n GLY 550 N 1.46 1.82 2.97 0.72 0.00 0.68 -3.06 105.19 109.78 1itz n GLY 550 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1itz n GLY 550 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itz s GLY 551 N 0.00 0.86 0.09 -0.02 0.00 -1.26 -1.50 107.32 105.48 1itz s GLY 551 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 1itz s GLY 551 CO 0.00 0.49 0.24 -2.52 0.00 0.00 0.00 173.10 171.31 1itz s TYR 552 N 1.25 0.05 0.02 1.90 1.13 -0.59 -4.94 117.35 116.18 1itz s TYR 552 Ca -0.03 -0.42 -0.28 0.00 -1.41 0.00 0.00 57.07 54.93 1itz s TYR 552 Cb -0.14 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1itz s TYR 552 CO -0.04 -0.56 0.89 0.99 -2.51 0.00 0.00 175.55 174.32 1itz s THR 553 N -3.62 4.81 -0.14 -3.49 2.01 -1.26 -0.75 115.64 113.20 1itz s THR 553 Ca 0.03 1.88 0.16 0.00 0.31 0.00 0.00 61.69 64.06 1itz s THR 553 Cb 0.03 -4.23 -0.23 0.00 0.01 0.00 0.00 72.50 68.08 1itz s THR 553 CO -0.10 0.24 0.13 2.30 -0.69 0.00 0.00 174.62 176.51 1itz n ILE 554 N 3.48 0.92 -3.69 1.82 -5.35 -0.11 -4.94 119.36 111.49 1itz n ILE 554 Ca 0.03 -0.66 -0.14 0.00 -0.27 0.00 0.00 62.75 61.70 1itz n ILE 554 Cb 0.51 -0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 37.91 1itz n ILE 554 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1itz s SER 555 N -4.90 -0.47 -0.24 7.28 1.04 -1.23 -4.23 113.70 110.95 1itz s SER 555 Ca -0.08 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.02 1itz s SER 555 Cb 0.07 0.84 0.07 0.00 0.10 0.00 0.00 66.02 67.10 1itz s SER 555 CO 0.72 -0.26 0.60 -0.62 0.98 0.00 0.00 173.24 174.65 1itz s ASP 556 N -0.16 -0.81 -0.12 7.02 3.68 -1.26 -0.99 116.67 124.02 1itz s ASP 556 Ca -0.03 1.32 0.16 0.00 2.13 0.00 0.00 52.55 56.12 1itz s ASP 556 Cb -0.03 1.19 0.31 0.00 -1.45 0.00 0.00 42.92 42.94 1itz s ASP 556 CO 0.02 -0.22 1.19 -0.46 0.13 0.00 0.00 175.17 175.83 1itz n ASN 557 N 4.31 2.63 -5.00 -0.34 6.94 -1.18 -5.03 115.26 117.58 1itz n ASN 557 Ca -0.21 -2.94 -0.18 0.00 -0.02 0.00 0.00 54.58 51.24 1itz n ASN 557 Cb 0.58 -0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.61 1itz n ASN 557 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1itz s SER 558 N -2.45 5.59 0.17 0.53 1.04 -1.26 -4.78 113.70 112.53 1itz s SER 558 Ca 0.31 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1itz s SER 558 Cb 0.26 -0.71 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 1itz s SER 558 CO 0.04 -0.83 -0.04 0.42 0.98 0.00 0.00 173.24 173.81 1itz s THR 559 N -2.43 0.92 -2.06 2.02 -4.23 -1.26 -4.80 115.64 103.79 1itz s THR 559 Ca 0.55 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1itz s THR 559 Cb -0.10 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1itz s THR 559 CO 0.34 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1itz n GLY 560 N -0.25 1.33 3.79 3.99 0.00 -1.26 -2.47 105.19 110.32 1itz n GLY 560 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1itz n GLY 560 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1itz n ASN 561 N -1.49 -1.81 -3.00 1.61 5.15 -1.26 -4.95 115.26 109.51 1itz n ASN 561 Ca -0.21 -0.84 -0.17 0.00 -0.60 0.00 0.00 54.58 52.76 1itz n ASN 561 Cb 0.67 -3.84 -0.01 0.00 -0.53 0.00 0.00 39.78 36.07 1itz n ASN 561 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1itz n LYS 562 N -4.38 0.77 -1.75 1.20 4.81 -1.03 -4.83 118.16 112.95 1itz n LYS 562 Ca -0.22 -2.59 -0.32 0.00 -0.87 0.00 0.00 58.31 54.30 1itz n LYS 562 Cb 0.64 -1.33 0.04 0.00 0.02 0.00 0.00 35.03 34.40 1itz n LYS 562 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1itz s PRO 563 N -0.46 2.88 0.25 1.64 0.04 -1.26 -4.72 135.00 133.36 1itz s PRO 563 Ca 0.34 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1itz s PRO 563 Cb 0.21 -1.97 0.30 0.00 0.04 0.00 0.00 34.50 33.08 1itz s PRO 563 CO -0.16 -1.17 1.66 -0.44 0.04 0.00 0.00 177.00 176.94 1itz h ASP 564 N -0.10 0.60 -3.78 6.66 3.32 -1.53 -3.45 116.42 118.14 1itz h ASP 564 Ca -0.46 -0.22 -0.22 0.00 0.02 0.00 0.00 57.03 56.15 1itz h ASP 564 Cb 1.23 -0.16 -0.27 0.00 0.22 0.00 0.00 39.33 40.34 1itz h ASP 564 CO 0.55 0.85 -0.68 -0.22 -1.72 0.00 0.00 179.24 178.02 1itz s LEU 565 N -8.70 1.89 -0.18 1.55 0.20 -0.99 -4.54 118.68 107.92 1itz s LEU 565 Ca -0.08 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.79 1itz s LEU 565 Cb 0.13 0.11 0.01 0.00 -0.43 0.00 0.00 46.19 46.01 1itz s LEU 565 CO 0.81 -0.02 -0.18 -0.63 -0.29 0.00 0.00 176.35 176.04 1itz s ILE 566 N -0.03 2.28 -0.15 6.68 1.01 -0.68 -1.25 121.20 129.07 1itz s ILE 566 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1itz s ILE 566 Cb -0.01 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1itz s ILE 566 CO 0.00 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 1itz s VAL 567 N 1.22 3.00 0.06 2.92 1.01 -0.15 -1.09 120.40 127.37 1itz s VAL 567 Ca 0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1itz s VAL 567 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1itz s VAL 567 CO -0.09 0.51 -0.22 0.00 0.00 0.00 0.00 175.10 175.30 1itz s MET 568 N 0.61 1.40 0.34 2.72 0.23 0.96 -0.73 119.30 124.82 1itz s MET 568 Ca -0.07 -1.03 -0.10 0.00 -1.03 0.00 0.00 55.69 53.47 1itz s MET 568 Cb -0.15 -1.57 0.02 0.00 -1.53 0.00 0.00 34.83 31.59 1itz s MET 568 CO 0.03 0.39 0.59 0.20 -2.03 0.00 0.00 175.02 174.20 1itz s GLY 569 N -1.37 0.87 0.10 3.16 0.00 -0.75 -1.11 107.32 108.23 1itz s GLY 569 Ca 0.08 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 1itz s GLY 569 CO 0.02 -0.66 0.14 -0.51 0.00 0.00 0.00 173.10 172.10 1itz s THR 570 N -3.03 0.14 0.00 0.90 -4.23 -1.25 -1.64 115.64 106.52 1itz s THR 570 Ca 0.23 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1itz s THR 570 Cb -0.02 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1itz s THR 570 CO 0.15 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1itz n GLY 571 N -0.06 1.91 0.15 3.99 0.00 -0.62 -1.28 105.19 109.28 1itz n GLY 571 Ca -0.12 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.84 1itz n GLY 571 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itz n SER 572 N -0.44 0.53 -0.29 1.61 3.41 -1.26 -1.88 113.62 115.30 1itz n SER 572 Ca 0.00 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1itz n SER 572 Cb 0.00 -0.82 0.26 0.00 -0.26 0.00 0.00 64.21 63.39 1itz n SER 572 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1itz n GLU 573 N -2.22 0.87 -0.17 4.33 4.71 -0.40 -4.05 120.64 123.72 1itz n GLU 573 Ca -0.01 -0.59 -0.09 0.00 -0.01 0.00 0.00 57.16 56.46 1itz n GLU 573 Cb 0.04 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 1itz n GLU 573 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1itz h LEU 574 N 1.44 0.73 -0.84 -4.62 5.85 -1.23 -2.04 115.31 114.60 1itz h LEU 574 Ca 0.00 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.60 1itz h LEU 574 Cb 0.57 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1itz h LEU 574 CO 0.00 0.77 0.47 -0.08 -0.34 0.00 0.00 178.44 179.26 1itz h GLU 575 N 0.65 0.73 -0.48 1.25 4.81 -1.76 0.80 114.58 120.58 1itz h GLU 575 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1itz h GLU 575 Cb 0.32 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1itz h GLU 575 CO 0.00 0.49 0.14 0.82 -0.73 0.00 0.00 179.01 179.73 1itz h ILE 576 N 0.76 1.23 -0.93 2.32 2.04 -1.66 -1.05 117.51 120.21 1itz h ILE 576 Ca 0.42 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1itz h ILE 576 Cb 0.44 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1itz h ILE 576 CO -0.28 0.28 0.61 0.00 0.00 0.00 0.00 178.15 178.77 1itz h ALA 577 N 1.00 1.18 -0.14 1.87 0.00 -0.42 -1.23 119.26 121.52 1itz h ALA 577 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1itz h ALA 577 Cb 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1itz h ALA 577 CO -0.00 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.87 1itz h ALA 578 N 1.34 0.18 -0.54 0.00 0.00 -0.53 -1.37 119.26 118.33 1itz h ALA 578 Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1itz h ALA 578 Cb -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1itz h ALA 578 CO -0.07 -0.19 0.34 -0.22 0.00 0.00 0.00 179.25 179.10 1itz h LYS 579 N 0.03 0.66 -0.66 0.00 1.63 -0.96 -2.01 116.57 115.26 1itz h LYS 579 Ca 0.04 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 1itz h LYS 579 Cb 0.24 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1itz h LYS 579 CO -0.00 0.44 0.23 0.00 -3.45 0.00 0.00 179.45 176.66 1itz h ALA 580 N 1.22 1.16 -0.63 5.00 0.00 -1.12 -2.52 119.26 122.37 1itz h ALA 580 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1itz h ALA 580 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1itz h ALA 580 CO -0.08 0.59 0.30 0.00 0.00 0.00 0.00 179.25 180.07 1itz h ALA 581 N 1.29 0.82 -0.23 0.00 0.00 -0.69 -1.16 119.26 119.28 1itz h ALA 581 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1itz h ALA 581 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1itz h ALA 581 CO -0.01 0.38 0.08 -0.44 0.00 0.00 0.00 179.25 179.26 1itz h ASP 582 N 0.87 0.08 -0.34 0.00 3.45 -1.11 -0.47 116.42 118.91 1itz h ASP 582 Ca 0.22 0.02 0.06 0.00 0.43 0.00 0.00 57.03 57.76 1itz h ASP 582 Cb 0.12 0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 38.85 1itz h ASP 582 CO -0.03 0.08 -0.01 -0.08 -1.57 0.00 0.00 179.24 177.64 1itz h GLU 583 N 0.18 0.09 0.00 3.56 4.57 -1.16 -1.92 114.58 119.90 1itz h GLU 583 Ca 0.10 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1itz h GLU 583 Cb 0.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1itz h GLU 583 CO -0.10 0.06 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.43 1itz h LEU 584 N 0.09 0.00 -0.67 1.64 3.38 -0.85 -2.72 115.31 116.17 1itz h LEU 584 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1itz h LEU 584 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1itz h LEU 584 CO -0.28 0.28 -0.61 0.03 0.09 0.00 0.00 178.44 177.95 1itz h ARG 585 N 0.00 0.20 -0.79 1.13 3.08 -0.32 -2.86 114.38 114.81 1itz h ARG 585 Ca -0.00 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1itz h ARG 585 Cb 0.73 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 1itz h ARG 585 CO 0.04 0.74 0.47 0.87 -1.07 0.00 0.00 179.97 181.02 1itz h LYS 586 N 0.15 0.82 0.00 0.04 1.57 -1.11 0.23 116.57 118.27 1itz h LYS 586 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1itz h LYS 586 Cb 1.11 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1itz h LYS 586 CO 0.09 0.54 0.00 0.39 -0.57 0.00 0.00 179.45 179.90 1itz n GLU 587 N -4.70 0.61 -0.76 3.15 1.02 -1.10 -4.83 120.64 114.03 1itz n GLU 587 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1itz n GLU 587 Cb 0.19 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1itz n GLU 587 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1itz n GLY 588 N 0.12 0.61 3.88 0.62 0.00 0.80 -5.06 105.19 106.16 1itz n GLY 588 Ca 0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1itz n GLY 588 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itz s LYS 589 N -0.34 3.76 -0.22 1.61 -0.14 -1.11 -5.03 119.74 118.27 1itz s LYS 589 Ca 0.00 0.30 -0.11 0.00 -1.36 0.00 0.00 55.97 54.81 1itz s LYS 589 Cb 0.00 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.58 1itz s LYS 589 CO 0.00 0.12 0.16 0.95 -0.76 0.00 0.00 175.35 175.82 1itz s THR 590 N -2.15 5.37 -0.02 2.17 -4.23 -1.26 -4.32 115.64 111.20 1itz s THR 590 Ca 0.48 0.21 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1itz s THR 590 Cb -0.11 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1itz s THR 590 CO 0.28 0.37 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.88 1itz s VAL 591 N 0.83 1.29 -0.17 2.29 1.01 -1.26 -1.16 120.40 123.22 1itz s VAL 591 Ca 0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1itz s VAL 591 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1itz s VAL 591 CO 0.02 0.37 -0.05 -0.60 0.00 0.00 0.00 175.10 174.85 1itz s ARG 592 N -0.22 3.55 -0.28 2.72 3.52 -0.38 -3.11 118.95 124.75 1itz s ARG 592 Ca 0.03 -0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 54.97 1itz s ARG 592 Cb -0.08 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1itz s ARG 592 CO 0.00 0.10 0.13 0.08 -0.81 0.00 0.00 175.30 174.80 1itz s VAL 593 N 0.73 4.72 -0.13 7.11 1.01 -0.16 -0.98 120.40 132.70 1itz s VAL 593 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1itz s VAL 593 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1itz s VAL 593 CO 0.02 0.24 -0.08 -0.69 0.00 0.00 0.00 175.10 174.59 1itz s VAL 594 N 1.66 3.57 -0.22 2.92 1.01 0.09 -0.93 120.40 128.51 1itz s VAL 594 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1itz s VAL 594 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1itz s VAL 594 CO 0.07 0.53 0.19 -0.55 0.00 0.00 0.00 175.10 175.34 1itz s SER 595 N 0.07 6.21 -0.66 3.32 0.15 0.07 -1.81 113.70 121.06 1itz s SER 595 Ca -0.02 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.88 1itz s SER 595 Cb -0.14 -2.12 0.37 0.00 -1.71 0.00 0.00 66.02 62.42 1itz s SER 595 CO 0.03 0.08 1.45 0.49 1.20 0.00 0.00 173.24 176.50 1itz n PHE 596 N 4.02 3.31 -0.38 3.44 3.01 -0.65 -1.54 117.46 128.68 1itz n PHE 596 Ca -0.14 -2.95 0.32 0.00 1.01 0.00 0.00 57.45 55.69 1itz n PHE 596 Cb 0.52 -0.63 0.59 0.00 -0.01 0.00 0.00 39.48 39.95 1itz n PHE 596 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1itz h VAL 597 N 2.42 0.13 -2.48 -4.37 2.07 -1.62 -3.38 116.25 109.02 1itz h VAL 597 Ca 0.38 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.75 1itz h VAL 597 Cb 0.50 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 29.99 1itz h VAL 597 CO 1.07 0.02 -0.40 -0.55 0.02 0.00 0.00 177.57 177.73 1itz s SER 598 N -4.60 -0.15 0.17 0.57 0.15 -0.56 -1.41 113.70 107.87 1itz s SER 598 Ca -0.09 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.30 1itz s SER 598 Cb 0.31 1.27 0.06 0.00 -1.71 0.00 0.00 66.02 65.95 1itz s SER 598 CO 0.80 -0.24 1.78 -0.50 1.20 0.00 0.00 173.24 176.28 1itz h TRP 599 N 8.18 0.74 -0.32 3.44 4.06 -1.80 -2.72 115.95 127.54 1itz h TRP 599 Ca -0.16 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.85 1itz h TRP 599 Cb 1.11 -0.24 -0.07 0.00 -1.00 0.00 0.00 29.16 28.96 1itz h TRP 599 CO 0.28 0.54 -0.17 0.93 -3.56 0.00 0.00 178.44 176.46 1itz h GLU 600 N 0.73 -0.12 -0.40 0.49 3.07 -1.93 -0.23 114.58 116.18 1itz h GLU 600 Ca 0.19 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1itz h GLU 600 Cb 0.04 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1itz h GLU 600 CO -0.03 -0.08 -0.10 -0.07 -1.40 0.00 0.00 179.01 177.33 1itz h LEU 601 N -0.12 0.69 0.03 1.33 3.38 -1.85 -2.80 115.31 115.97 1itz h LEU 601 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1itz h LEU 601 Cb 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1itz h LEU 601 CO -0.40 0.83 -0.02 0.15 0.09 0.00 0.00 178.44 179.09 1itz h PHE 602 N 0.65 -0.04 -0.11 1.13 3.57 -0.99 -2.34 116.94 118.80 1itz h PHE 602 Ca 0.11 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1itz h PHE 602 Cb 0.55 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1itz h PHE 602 CO 0.03 0.10 0.17 -0.44 -2.23 0.00 0.00 178.31 175.93 1itz h ASP 603 N -0.18 0.00 0.97 0.41 3.32 -0.97 -0.54 116.42 119.43 1itz h ASP 603 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1itz h ASP 603 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1itz h ASP 603 CO 0.01 0.00 -0.09 -0.62 -1.72 0.00 0.00 179.24 176.81 1itz n GLU 604 N -3.59 0.04 -1.64 3.56 1.02 -0.89 -4.89 120.64 114.24 1itz n GLU 604 Ca -0.00 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 1itz n GLU 604 Cb 0.27 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.23 1itz n GLU 604 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1itz s GLN 605 N -3.02 2.29 0.86 3.49 -1.52 -0.21 -5.04 119.66 116.51 1itz s GLN 605 Ca 0.13 0.59 -0.11 0.00 -1.95 0.00 0.00 55.36 54.02 1itz s GLN 605 Cb 0.18 -1.95 0.11 0.00 -0.22 0.00 0.00 33.01 31.13 1itz s GLN 605 CO 0.57 -1.46 1.10 -1.54 -0.25 0.00 0.00 175.29 173.70 1itz s SER 606 N -4.03 3.72 0.40 5.90 1.04 -1.26 -4.84 113.70 114.63 1itz s SER 606 Ca 0.60 1.77 0.11 0.00 0.48 0.00 0.00 55.95 58.90 1itz s SER 606 Cb -0.13 -2.41 0.84 0.00 0.10 0.00 0.00 66.02 64.42 1itz s SER 606 CO 0.53 -2.52 1.94 0.44 0.98 0.00 0.00 173.24 174.61 1itz h ASP 607 N -1.47 0.16 -0.04 7.02 3.45 -1.97 -1.87 116.42 121.70 1itz h ASP 607 Ca -0.46 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1itz h ASP 607 Cb 1.26 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 1itz h ASP 607 CO 0.51 0.33 0.01 -0.33 -1.57 0.00 0.00 179.24 178.19 1itz h GLU 608 N 0.17 0.07 -0.17 3.56 3.07 -1.99 -1.45 114.58 117.83 1itz h GLU 608 Ca 0.03 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1itz h GLU 608 Cb 0.36 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1itz h GLU 608 CO 0.02 0.25 0.04 -0.92 -1.40 0.00 0.00 179.01 177.01 1itz h TYR 609 N -0.13 0.07 -0.49 4.33 3.20 -1.83 -1.44 116.97 120.68 1itz h TYR 609 Ca 0.01 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1itz h TYR 609 Cb 0.21 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1itz h TYR 609 CO -0.00 0.03 0.30 0.87 -1.64 0.00 0.00 178.16 177.71 1itz h LYS 610 N 0.12 0.58 -0.70 1.82 1.57 -1.28 -1.36 116.57 117.30 1itz h LYS 610 Ca 0.08 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1itz h LYS 610 Cb 0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1itz h LYS 610 CO -0.10 0.38 0.46 1.49 -0.57 0.00 0.00 179.45 181.12 1itz h GLU 611 N 0.59 0.83 0.00 3.15 4.57 -1.02 0.40 114.58 123.10 1itz h GLU 611 Ca 0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1itz h GLU 611 Cb 0.01 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1itz h GLU 611 CO -0.08 0.55 0.00 0.66 -1.18 0.00 0.00 179.01 178.96 1itz h SER 612 N 0.86 0.00 0.00 1.04 4.64 -0.15 -2.24 113.55 117.69 1itz h SER 612 Ca 0.28 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.20 1itz h SER 612 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 1itz h SER 612 CO -0.08 0.00 -2.38 0.52 -0.87 0.00 0.00 176.83 174.02 1itz n VAL 613 N -2.97 1.37 -3.86 0.95 0.31 -0.50 -4.76 118.33 108.86 1itz n VAL 613 Ca 0.01 -0.40 -0.28 0.00 -0.01 0.00 0.00 64.34 63.65 1itz n VAL 613 Cb 0.29 -1.69 -0.12 0.00 -0.91 0.00 0.00 33.84 31.42 1itz n VAL 613 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1itz n LEU 614 N -3.84 3.14 -4.69 7.52 4.77 0.13 -5.03 117.00 119.01 1itz n LEU 614 Ca -0.47 -5.23 -0.45 0.00 -0.03 0.00 0.00 56.01 49.83 1itz n LEU 614 Cb 0.88 -0.77 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1itz n LEU 614 CO 0.09 1.77 1.30 -0.81 -1.33 0.00 0.00 177.39 178.40 1itz n PRO 615 N 1.90 2.39 0.15 3.23 -0.04 -0.84 -4.47 135.00 137.31 1itz n PRO 615 Ca 0.21 0.86 0.19 0.00 -0.04 0.00 0.00 63.50 64.72 1itz n PRO 615 Cb 0.35 -2.67 0.78 0.00 -0.04 0.00 0.00 33.50 31.92 1itz n PRO 615 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1itz h ALA 616 N 6.70 1.98 -0.05 0.55 0.00 -1.93 -1.71 119.26 124.80 1itz h ALA 616 Ca -0.45 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1itz h ALA 616 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1itz h ALA 616 CO 0.92 -0.47 -0.69 0.00 0.00 0.00 0.00 179.25 179.01 1itz h ALA 617 N 1.64 0.75 -1.96 0.00 0.00 -1.94 -3.42 119.26 114.33 1itz h ALA 617 Ca 0.14 -0.60 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 1itz h ALA 617 Cb 0.78 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1itz h ALA 617 CO -0.00 0.78 0.91 0.08 0.00 0.00 0.00 179.25 181.02 1itz s VAL 618 N -3.59 4.33 -0.11 0.00 1.01 -0.64 -4.88 120.40 116.50 1itz s VAL 618 Ca -0.04 1.52 0.20 0.00 0.00 0.00 0.00 61.98 63.66 1itz s VAL 618 Cb 0.11 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 1itz s VAL 618 CO 0.81 -0.47 0.45 0.41 0.00 0.00 0.00 175.10 176.29 1itz n THR 619 N 6.02 0.70 -2.49 3.92 -1.04 -1.26 -4.81 114.28 115.31 1itz n THR 619 Ca 0.13 -0.65 -0.40 0.00 -2.04 0.00 0.00 64.05 61.09 1itz n THR 619 Cb 0.47 -0.30 -0.03 0.00 -1.82 0.00 0.00 70.33 68.65 1itz n THR 619 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1itz s ALA 620 N -3.08 2.65 -0.01 2.41 0.00 -1.26 -4.24 121.76 118.23 1itz s ALA 620 Ca -0.07 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.36 1itz s ALA 620 Cb 0.10 -4.35 -0.01 0.00 0.00 0.00 0.00 23.12 18.86 1itz s ALA 620 CO 0.86 -3.49 -0.14 1.03 0.00 0.00 0.00 175.76 174.02 1itz s ARG 621 N 5.67 1.17 -0.02 0.00 0.52 -1.26 -1.68 118.95 123.35 1itz s ARG 621 Ca 0.42 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1itz s ARG 621 Cb -0.06 -1.11 -0.00 0.00 0.52 0.00 0.00 34.95 34.30 1itz s ARG 621 CO 0.08 0.28 -0.11 0.42 0.02 0.00 0.00 175.30 175.99 1itz s ILE 622 N -0.25 0.89 0.09 1.52 1.01 -0.25 -0.55 121.20 123.66 1itz s ILE 622 Ca 0.04 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1itz s ILE 622 Cb -0.06 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1itz s ILE 622 CO -0.00 0.26 -0.22 -0.94 0.00 0.00 0.00 174.94 174.04 1itz s SER 623 N -0.04 2.71 -0.03 3.58 1.04 -0.33 -0.03 113.70 120.61 1itz s SER 623 Ca 0.00 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 1itz s SER 623 Cb -0.07 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1itz s SER 623 CO 0.00 0.12 0.05 -0.51 0.98 0.00 0.00 173.24 173.88 1itz s ILE 624 N -1.03 -0.05 -0.28 -1.02 2.07 -0.27 -0.31 121.20 120.31 1itz s ILE 624 Ca 0.08 0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.36 1itz s ILE 624 Cb -0.10 -0.10 0.11 0.00 0.13 0.00 0.00 42.46 42.50 1itz s ILE 624 CO 0.04 0.08 0.82 -0.70 -1.91 0.00 0.00 174.94 173.27 1itz s GLU 625 N 1.02 0.57 -1.02 3.50 2.12 -0.98 -3.74 118.70 120.17 1itz s GLU 625 Ca -0.08 0.96 -0.21 0.00 0.36 0.00 0.00 54.97 55.99 1itz s GLU 625 Cb -0.12 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.30 1itz s GLU 625 CO -0.03 -0.12 1.94 0.00 -0.54 0.00 0.00 175.26 176.51 1itz n ALA 626 N 3.94 2.99 -3.59 6.30 0.00 -1.26 -4.26 120.51 124.62 1itz n ALA 626 Ca -0.19 -3.31 0.10 0.00 0.00 0.00 0.00 53.44 50.05 1itz n ALA 626 Cb 0.58 -3.57 0.01 0.00 0.00 0.00 0.00 19.45 16.47 1itz n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itz n GLY 627 N 5.01 0.38 3.65 0.00 0.00 -1.26 -4.72 105.19 108.26 1itz n GLY 627 Ca 0.48 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1itz n GLY 627 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itz n SER 628 N -0.69 1.74 0.01 1.61 2.88 -0.38 -0.31 113.62 118.48 1itz n SER 628 Ca 0.03 1.04 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 1itz n SER 628 Cb 0.34 -1.42 0.30 0.00 -0.75 0.00 0.00 64.21 62.68 1itz n SER 628 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1itz n THR 629 N -0.50 0.07 -1.69 2.46 -2.24 -1.26 -4.79 114.28 106.33 1itz n THR 629 Ca 0.09 -0.05 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 1itz n THR 629 Cb 0.40 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1itz n THR 629 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1itz n LEU 630 N -1.62 3.46 0.00 3.22 7.94 -1.26 -2.21 117.00 126.52 1itz n LEU 630 Ca 0.05 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1itz n LEU 630 Cb 0.36 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1itz n LEU 630 CO 0.34 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 1itz n GLY 631 N 3.69 3.21 0.23 -3.96 0.00 -1.26 -4.90 105.19 102.20 1itz n GLY 631 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1itz n GLY 631 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1itz h TRP 632 N 0.00 0.00 -0.14 1.61 4.06 -1.80 -2.65 115.95 117.04 1itz h TRP 632 Ca 0.00 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.99 1itz h TRP 632 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1itz h TRP 632 CO 0.00 0.00 0.12 1.96 -3.56 0.00 0.00 178.44 176.96 1itz h GLN 633 N 0.00 0.00 0.00 0.49 7.50 -1.88 0.08 115.11 121.30 1itz h GLN 633 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1itz h GLN 633 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.67 1itz h GLN 633 CO 0.00 0.00 0.00 0.36 -1.50 0.00 0.00 178.83 177.69 1itz n LYS 634 N -4.13 0.04 -0.00 1.46 2.85 -1.00 -1.48 118.16 115.90 1itz n LYS 634 Ca 0.00 0.34 -0.00 0.00 -1.05 0.00 0.00 58.31 57.60 1itz n LYS 634 Cb 0.24 -1.58 -0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1itz n LYS 634 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1itz n TYR 635 N -1.66 0.00 1.10 5.58 4.01 -0.10 -4.69 117.16 121.40 1itz n TYR 635 Ca 0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.89 1itz n TYR 635 Cb 0.14 -0.03 0.41 0.00 -0.31 0.00 0.00 39.34 39.56 1itz n TYR 635 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1itz n VAL 636 N -2.24 0.00 -2.88 -0.72 0.24 -0.53 -5.02 118.33 107.19 1itz n VAL 636 Ca -0.01 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1itz n VAL 636 Cb 0.51 0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1itz n VAL 636 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1itz n GLY 637 N 1.44 -1.92 0.13 7.63 0.00 -0.55 -2.26 105.19 109.66 1itz n GLY 637 Ca 0.08 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 1itz n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itz h ALA 638 N -0.31 0.18 -0.02 4.61 0.00 -1.94 -3.21 119.26 118.58 1itz h ALA 638 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1itz h ALA 638 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1itz h ALA 638 CO 0.00 0.90 -0.06 1.04 0.00 0.00 0.00 179.25 181.13 1itz n GLN 639 N -3.62 1.57 -1.94 0.00 3.00 -1.26 -4.95 117.38 110.18 1itz n GLN 639 Ca -0.08 -0.97 -0.29 0.00 -0.01 0.00 0.00 57.00 55.64 1itz n GLN 639 Cb 0.96 -1.48 0.07 0.00 0.00 0.00 0.00 30.24 29.79 1itz n GLN 639 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1itz s GLY 640 N -2.10 1.61 -0.08 1.08 0.00 -0.96 -4.75 107.32 102.12 1itz s GLY 640 Ca 0.34 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.51 1itz s GLY 640 CO 0.37 -0.14 -0.16 1.25 0.00 0.00 0.00 173.10 174.42 1itz s LYS 641 N -5.46 2.16 -0.22 2.90 2.20 0.29 -4.90 119.74 116.71 1itz s LYS 641 Ca 0.60 -0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 1itz s LYS 641 Cb -0.11 -1.72 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 1itz s LYS 641 CO 0.49 0.07 0.00 0.00 -0.36 0.00 0.00 175.35 175.55 1itz s ALA 642 N 0.59 2.97 -0.25 3.13 0.00 -1.26 -1.18 121.76 125.75 1itz s ALA 642 Ca -0.15 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 1itz s ALA 642 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1itz s ALA 642 CO 0.05 -0.36 0.12 0.42 0.00 0.00 0.00 175.76 175.99 1itz s ILE 643 N 1.38 4.79 0.00 0.00 1.01 0.58 -4.95 121.20 124.01 1itz s ILE 643 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1itz s ILE 643 Cb -0.15 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1itz s ILE 643 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1itz n GLY 644 N 4.82 3.05 2.88 6.18 0.00 -1.26 -2.32 105.19 118.55 1itz n GLY 644 Ca -0.15 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1itz n GLY 644 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itz s ILE 645 N -2.30 1.12 -0.38 -0.61 1.01 0.58 -4.88 121.20 115.73 1itz s ILE 645 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1itz s ILE 645 Cb 0.00 -1.34 0.45 0.00 0.01 0.00 0.00 42.46 41.58 1itz s ILE 645 CO 0.00 0.06 1.37 0.47 0.00 0.00 0.00 174.94 176.84 1itz n ASP 646 N 4.86 5.51 -3.89 3.58 8.00 -1.26 -2.60 116.55 130.76 1itz n ASP 646 Ca -0.12 -3.76 -0.10 0.00 0.71 0.00 0.00 54.79 51.53 1itz n ASP 646 Cb 0.47 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1itz n ASP 646 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1itz s LYS 647 N -3.65 1.60 0.78 -1.24 -2.85 -1.26 -5.09 119.74 108.02 1itz s LYS 647 Ca 0.54 -1.33 -0.11 0.00 -1.00 0.00 0.00 55.97 54.06 1itz s LYS 647 Cb 0.43 0.46 0.06 0.00 -2.06 0.00 0.00 37.83 36.72 1itz s LYS 647 CO 0.01 -0.66 1.08 -0.06 0.10 0.00 0.00 175.35 175.82 1itz s PHE 648 N -3.85 2.79 0.00 1.78 0.08 -1.26 -4.98 117.98 112.53 1itz s PHE 648 Ca 0.24 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1itz s PHE 648 Cb -0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1itz s PHE 648 CO 0.11 -1.72 0.00 0.41 -0.10 0.00 0.00 175.22 173.92 1itz n GLY 649 N -1.75 -0.29 3.33 4.36 0.00 -1.26 -5.05 105.19 104.53 1itz n GLY 649 Ca 0.08 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1itz n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itz s ALA 650 N -3.84 -1.02 -0.58 4.61 0.00 -1.26 -4.55 121.76 115.11 1itz s ALA 650 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 1itz s ALA 650 Cb 0.00 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.67 1itz s ALA 650 CO 0.00 -0.54 0.87 0.45 0.00 0.00 0.00 175.76 176.54 1itz s SER 651 N -2.32 6.25 -0.00 0.00 0.15 -1.26 -4.21 113.70 112.31 1itz s SER 651 Ca -0.02 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.59 1itz s SER 651 Cb 0.00 -2.39 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 1itz s SER 651 CO -0.06 -1.23 1.25 0.00 1.20 0.00 0.00 173.24 174.40 1itz s ALA 652 N 3.65 -2.17 0.36 5.45 0.00 -1.26 -4.93 121.76 122.86 1itz s ALA 652 Ca 0.23 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1itz s ALA 652 Cb -0.16 0.38 -0.11 0.00 0.00 0.00 0.00 23.12 23.23 1itz s ALA 652 CO 0.14 -1.04 1.47 -2.14 0.00 0.00 0.00 175.76 174.19 1itz s PRO 653 N -2.53 4.15 0.22 0.00 0.02 -1.26 -1.19 135.00 134.41 1itz s PRO 653 Ca 0.14 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 1itz s PRO 653 Cb 0.04 -2.99 0.29 0.00 0.02 0.00 0.00 34.50 31.86 1itz s PRO 653 CO -0.03 -0.50 1.64 0.00 -0.33 0.00 0.00 177.00 177.78 1itz h ALA 654 N 3.33 0.54 -0.68 -1.55 0.00 -1.84 -1.96 119.26 117.09 1itz h ALA 654 Ca -0.50 0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1itz h ALA 654 Cb 1.23 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 1itz h ALA 654 CO 0.66 -0.42 0.16 0.78 0.00 0.00 0.00 179.25 180.44 1itz h GLY 655 N 0.05 0.92 1.11 0.00 0.00 -1.92 -1.19 103.07 102.03 1itz h GLY 655 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1itz h GLY 655 CO -0.62 -0.15 0.18 -0.84 0.00 0.00 0.00 176.54 175.10 1itz h THR 656 N 0.28 1.26 -0.41 4.70 2.02 -1.73 -2.49 112.91 116.54 1itz h THR 656 Ca 0.37 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1itz h THR 656 Cb 0.59 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1itz h THR 656 CO -0.46 0.36 -0.04 0.40 0.37 0.00 0.00 175.52 176.16 1itz h ILE 657 N 1.05 1.27 -0.65 3.11 2.04 -1.02 -0.69 117.51 122.62 1itz h ILE 657 Ca 0.22 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1itz h ILE 657 Cb 0.35 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1itz h ILE 657 CO 0.00 0.37 0.38 1.88 0.00 0.00 0.00 178.15 180.78 1itz h TYR 658 N 0.57 0.71 -0.05 1.37 0.05 -1.10 0.62 116.97 119.14 1itz h TYR 658 Ca 0.11 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1itz h TYR 658 Cb 0.53 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1itz h TYR 658 CO 0.04 0.38 0.00 -0.22 -1.05 0.00 0.00 178.16 177.32 1itz h LYS 659 N 0.73 0.09 0.00 4.88 3.64 -1.30 -0.75 116.57 123.85 1itz h LYS 659 Ca 0.27 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1itz h LYS 659 Cb 0.09 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1itz h LYS 659 CO -0.14 0.34 -0.14 0.93 -2.27 0.00 0.00 179.45 178.18 1itz h GLU 660 N -0.18 0.00 -0.02 1.90 4.39 -0.78 -2.23 114.58 117.66 1itz h GLU 660 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1itz h GLU 660 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1itz h GLU 660 CO 0.00 0.14 -0.10 0.66 -1.16 0.00 0.00 179.01 178.55 1itz n TYR 661 N -4.29 0.00 -1.64 4.33 4.02 0.18 -4.96 117.16 114.80 1itz n TYR 661 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1itz n TYR 661 Cb 0.21 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.50 1itz n TYR 661 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1itz n GLY 662 N 1.28 0.48 2.87 2.72 0.00 -0.66 -4.93 105.19 106.95 1itz n GLY 662 Ca 0.15 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1itz n GLY 662 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1itz n ILE 663 N -3.42 4.60 -4.27 -0.61 2.08 -0.38 -4.68 119.36 112.68 1itz n ILE 663 Ca -0.06 -4.70 -0.15 0.00 0.56 0.00 0.00 62.75 58.40 1itz n ILE 663 Cb 0.37 -2.28 -0.10 0.00 -0.75 0.00 0.00 39.64 36.88 1itz n ILE 663 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1itz s THR 664 N -0.35 0.81 0.36 1.39 -4.23 -1.26 -4.76 115.64 107.60 1itz s THR 664 Ca 0.38 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1itz s THR 664 Cb 0.09 -2.19 0.19 0.00 1.34 0.00 0.00 72.50 71.93 1itz s THR 664 CO 0.02 -0.43 1.93 1.62 -0.54 0.00 0.00 174.62 177.22 1itz h VAL 665 N 2.62 1.17 -0.11 2.29 3.04 -1.91 -2.32 116.25 121.03 1itz h VAL 665 Ca -0.37 -0.61 -0.05 0.00 -1.01 0.00 0.00 66.70 64.65 1itz h VAL 665 Cb 1.21 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 1itz h VAL 665 CO 0.63 0.22 -0.19 1.05 -1.01 0.00 0.00 177.57 178.27 1itz h GLU 666 N 0.49 0.17 -0.09 4.17 9.09 -1.96 -1.56 114.58 124.90 1itz h GLU 666 Ca 0.12 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.35 1itz h GLU 666 Cb 0.22 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1itz h GLU 666 CO -0.00 0.36 -0.51 0.77 0.05 0.00 0.00 179.01 179.68 1itz h SER 667 N 0.16 0.26 -0.23 3.06 0.02 -1.69 0.23 113.55 115.36 1itz h SER 667 Ca 0.03 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1itz h SER 667 Cb 0.43 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1itz h SER 667 CO 0.03 0.72 -0.35 0.40 -1.14 0.00 0.00 176.83 176.49 1itz h ILE 668 N 0.19 1.32 -0.27 3.27 2.04 -1.31 -1.35 117.51 121.40 1itz h ILE 668 Ca 0.01 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 1itz h ILE 668 Cb 0.96 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1itz h ILE 668 CO 0.08 0.49 -0.01 0.40 0.00 0.00 0.00 178.15 179.10 1itz h ILE 669 N 0.35 1.26 -0.78 -0.67 2.04 -1.14 0.85 117.51 119.42 1itz h ILE 669 Ca 0.02 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.96 1itz h ILE 669 Cb 0.94 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1itz h ILE 669 CO 0.08 0.30 0.49 0.00 0.00 0.00 0.00 178.15 179.03 1itz h ALA 670 N 0.81 1.04 -0.21 1.87 0.00 -0.54 -1.79 119.26 120.44 1itz h ALA 670 Ca 0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1itz h ALA 670 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1itz h ALA 670 CO 0.02 0.28 -0.34 0.00 0.00 0.00 0.00 179.25 179.21 1itz h ALA 671 N 1.34 1.02 -0.68 0.00 0.00 -1.00 -3.12 119.26 116.82 1itz h ALA 671 Ca 0.32 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1itz h ALA 671 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1itz h ALA 671 CO -0.13 0.59 0.35 0.00 0.00 0.00 0.00 179.25 180.07 1itz h ALA 672 N 1.26 0.88 0.00 0.00 0.00 0.01 -2.57 119.26 118.84 1itz h ALA 672 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1itz h ALA 672 Cb 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1itz h ALA 672 CO 0.06 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1itz n LYS 673 N -4.47 0.83 0.00 0.00 5.02 -0.90 -2.31 118.16 116.33 1itz n LYS 673 Ca 0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.43 1itz n LYS 673 Cb 0.11 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1itz n LYS 673 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1itz n SER 674 N -0.08 1.30 -0.81 4.39 7.64 -0.97 -5.09 113.62 120.00 1itz n SER 674 Ca 0.00 -1.15 0.13 0.00 1.01 0.00 0.00 58.87 58.86 1itz n SER 674 Cb 0.15 0.72 0.24 0.00 -1.01 0.00 0.00 64.21 64.30 1itz n SER 674 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52