#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 2.25 0.17 0.00 0.00 -1.26 -5.03 121.76 117.89 1itz s ALA 11 Ca 0.00 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1itz s ALA 11 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1itz s ALA 11 CO 0.00 -1.68 0.47 -0.08 0.00 0.00 0.00 175.76 174.47 1itz s THR 12 N -1.80 0.04 0.00 0.00 -1.32 -1.26 -4.72 115.64 106.58 1itz s THR 12 Ca 0.76 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1itz s THR 12 Cb -0.31 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1itz s THR 12 CO 0.42 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 1itz n GLY 13 N -0.30 3.07 0.21 6.08 0.00 -1.26 -2.13 105.19 110.86 1itz n GLY 13 Ca -0.12 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.46 1.61 4.11 -1.99 -2.31 114.58 115.53 1itz h GLU 14 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1itz h GLU 14 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1itz h GLU 14 CO 0.00 0.25 -0.01 1.25 0.07 0.00 0.00 179.01 180.57 1itz h LEU 15 N 0.00 0.81 -0.42 3.06 5.85 -1.85 -0.51 115.31 122.25 1itz h LEU 15 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1itz h LEU 15 Cb 0.45 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1itz h LEU 15 CO 0.03 0.92 0.19 0.25 -0.34 0.00 0.00 178.44 179.49 1itz h LEU 16 N 0.67 0.56 -0.83 2.25 5.85 -1.21 -0.82 115.31 121.78 1itz h LEU 16 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1itz h LEU 16 Cb 0.52 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1itz h LEU 16 CO 0.03 0.55 0.42 -0.33 -0.34 0.00 0.00 178.44 178.77 1itz h GLU 17 N 0.53 1.18 -0.46 1.25 4.39 -1.27 -1.69 114.58 118.51 1itz h GLU 17 Ca 0.14 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1itz h GLU 17 Cb 0.15 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1itz h GLU 17 CO -0.02 0.90 -0.11 0.87 -1.16 0.00 0.00 179.01 179.49 1itz h LYS 18 N 1.17 0.89 0.35 2.33 1.57 -0.86 -1.06 116.57 120.96 1itz h LYS 18 Ca 0.29 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1itz h LYS 18 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1itz h LYS 18 CO -0.04 0.99 -0.17 1.03 -0.57 0.00 0.00 179.45 180.69 1itz h SER 19 N 0.73 -0.39 -0.75 0.86 0.87 -0.96 0.67 113.55 114.59 1itz h SER 19 Ca 0.12 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1itz h SER 19 Cb 0.66 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.66 1itz h SER 19 CO 0.05 -0.24 0.42 0.58 -0.53 0.00 0.00 176.83 177.11 1itz h VAL 20 N -0.52 0.95 0.00 2.23 2.07 -1.30 -0.02 116.25 119.66 1itz h VAL 20 Ca -0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1itz h VAL 20 Cb 0.39 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1itz h VAL 20 CO 0.08 0.14 -0.10 0.78 0.02 0.00 0.00 177.57 178.48 1itz h ASN 21 N 0.75 0.00 -0.45 0.57 2.35 -1.01 -2.29 115.58 115.51 1itz h ASN 21 Ca 0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1itz h ASN 21 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1itz h ASN 21 CO -0.21 0.10 0.04 0.74 -1.65 0.00 0.00 177.43 176.46 1itz h THR 22 N 0.00 1.25 -0.17 2.81 2.02 0.11 -0.84 112.91 118.09 1itz h THR 22 Ca -0.00 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1itz h THR 22 Cb 0.67 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1itz h THR 22 CO 0.01 0.33 0.11 0.40 0.37 0.00 0.00 175.52 176.74 1itz h ILE 23 N 0.61 1.07 -0.53 3.11 2.04 -1.05 -0.35 117.51 122.42 1itz h ILE 23 Ca 0.13 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1itz h ILE 23 Cb 0.43 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1itz h ILE 23 CO 0.01 0.07 0.29 0.03 0.00 0.00 0.00 178.15 178.55 1itz h ARG 24 N 0.21 0.55 0.00 2.37 3.08 -1.20 -2.64 114.38 116.75 1itz h ARG 24 Ca 0.06 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1itz h ARG 24 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1itz h ARG 24 CO -0.01 0.36 -0.60 0.74 -1.07 0.00 0.00 179.97 179.40 1itz h PHE 25 N 0.57 0.00 -0.49 3.04 0.04 -0.91 -1.43 116.94 117.76 1itz h PHE 25 Ca 0.22 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1itz h PHE 25 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1itz h PHE 25 CO -0.08 0.60 0.18 -0.07 -0.60 0.00 0.00 178.31 178.34 1itz h LEU 26 N 0.00 0.69 0.22 1.54 3.38 -0.88 0.14 115.31 120.40 1itz h LEU 26 Ca -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1itz h LEU 26 Cb 1.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1itz h LEU 26 CO 0.08 0.69 -0.11 0.00 0.09 0.00 0.00 178.44 179.19 1itz h ALA 27 N 1.03 -0.29 -0.44 1.53 0.00 -1.36 0.36 119.26 120.09 1itz h ALA 27 Ca 0.16 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1itz h ALA 27 Cb 0.22 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1itz h ALA 27 CO -0.01 -0.61 0.16 0.82 0.00 0.00 0.00 179.25 179.61 1itz h ILE 28 N -0.41 0.87 -0.35 0.00 2.04 -1.12 -1.09 117.51 117.45 1itz h ILE 28 Ca -0.03 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1itz h ILE 28 Cb 0.31 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1itz h ILE 28 CO 0.05 0.06 -0.31 0.44 0.00 0.00 0.00 178.15 178.39 1itz h ASP 29 N 0.33 0.81 -0.22 1.72 3.32 -0.59 -0.93 116.42 120.86 1itz h ASP 29 Ca 0.20 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1itz h ASP 29 Cb 0.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1itz h ASP 29 CO -0.20 1.06 0.14 0.00 -1.72 0.00 0.00 179.24 178.51 1itz h ALA 30 N 0.99 0.28 -0.54 3.45 0.00 -0.60 -0.85 119.26 121.99 1itz h ALA 30 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1itz h ALA 30 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1itz h ALA 30 CO 0.07 -0.22 0.13 0.28 0.00 0.00 0.00 179.25 179.51 1itz h VAL 31 N 0.28 1.24 -0.65 0.00 2.07 -1.13 -2.11 116.25 115.96 1itz h VAL 31 Ca 0.08 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1itz h VAL 31 Cb 0.00 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1itz h VAL 31 CO -0.02 0.32 0.34 -0.08 0.02 0.00 0.00 177.57 178.16 1itz h GLU 32 N 0.76 0.92 -0.56 1.57 4.57 -0.95 0.29 114.58 121.18 1itz h GLU 32 Ca 0.17 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1itz h GLU 32 Cb 0.34 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1itz h GLU 32 CO 0.00 0.71 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.31 1itz h LYS 33 N 0.90 0.98 0.00 1.92 3.64 -0.99 -2.58 116.57 120.44 1itz h LYS 33 Ca 0.23 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1itz h LYS 33 Cb 0.07 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1itz h LYS 33 CO -0.03 0.97 -0.15 0.00 -2.27 0.00 0.00 179.45 177.96 1itz h ALA 34 N 1.08 0.91 -5.31 5.00 0.00 -1.16 -3.47 119.26 116.33 1itz h ALA 34 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.67 1itz h ALA 34 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1itz h ALA 34 CO 0.03 0.00 -0.61 -1.71 0.00 0.00 0.00 179.25 176.96 1itz n ASN 35 N -2.68 -4.68 -3.62 0.00 5.15 0.98 -4.93 115.26 105.48 1itz n ASN 35 Ca 0.04 -0.43 -0.14 0.00 -0.60 0.00 0.00 54.58 53.46 1itz n ASN 35 Cb 0.49 -3.81 -0.07 0.00 -0.53 0.00 0.00 39.78 35.86 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 -2.82 -0.68 0.00 1.20 0.15 -1.07 -4.77 113.70 105.71 1itz s SER 36 Ca 0.42 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1itz s SER 36 Cb -0.21 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1itz s SER 36 CO 0.52 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1itz n GLY 37 N 2.36 0.93 2.96 9.45 0.00 -1.26 -4.56 105.19 115.06 1itz n GLY 37 Ca -0.14 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.08 3.35 -0.09 1.61 3.76 -1.26 -2.43 115.29 119.15 1itz s HIS 38 Ca 0.00 -2.79 0.14 0.00 -0.15 0.00 0.00 55.06 52.26 1itz s HIS 38 Cb 0.00 -2.70 -0.09 0.00 1.11 0.00 0.00 32.58 30.90 1itz s HIS 38 CO 0.00 -0.92 1.07 -1.00 -0.85 0.00 0.00 174.74 173.04 1itz h PRO 39 N 7.62 0.00 -0.08 8.40 0.13 -1.71 -3.40 132.00 142.96 1itz h PRO 39 Ca -0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1itz h PRO 39 Cb 1.01 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1itz h PRO 39 CO 0.52 0.47 -0.34 0.78 -0.23 0.00 0.00 178.00 179.21 1itz h GLY 40 N 3.53 -1.27 0.85 1.56 0.00 -0.91 -1.73 103.07 105.10 1itz h GLY 40 Ca -0.10 0.68 0.02 0.00 0.00 0.00 0.00 47.33 47.92 1itz h GLY 40 CO 0.07 -0.35 0.04 -2.00 0.00 0.00 0.00 176.54 174.30 1itz h LEU 41 N -0.37 0.03 -1.16 3.11 6.46 -1.82 -1.45 115.31 120.11 1itz h LEU 41 Ca 0.02 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1itz h LEU 41 Cb 0.42 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 1itz h LEU 41 CO -0.27 0.04 0.58 -0.65 -0.62 0.00 0.00 178.44 177.53 1itz h PRO 42 N 0.11 1.05 -0.58 5.25 0.11 -1.76 0.43 132.00 136.60 1itz h PRO 42 Ca 0.07 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1itz h PRO 42 Cb 0.05 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 1itz h PRO 42 CO -0.08 0.69 0.04 0.52 -0.21 0.00 0.00 178.00 178.96 1itz h MET 43 N 1.08 0.98 0.04 1.05 2.86 -0.97 -1.77 114.93 118.20 1itz h MET 43 Ca 0.36 -0.27 -0.22 0.00 -2.06 0.00 0.00 59.70 57.50 1itz h MET 43 Cb 0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1itz h MET 43 CO -0.11 0.94 -1.01 0.78 1.06 0.00 0.00 176.91 178.57 1itz h GLY 44 N 1.01 0.19 -1.50 8.32 0.00 -0.23 -3.35 103.07 107.52 1itz h GLY 44 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1itz h GLY 44 CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 176.54 176.91 1itz h ALA 46 N 4.46 1.05 -0.34 0.00 0.00 -1.45 0.16 119.26 123.15 1itz h ALA 46 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1itz h ALA 46 Cb 0.79 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1itz h ALA 46 CO 0.00 -0.12 0.09 -1.35 0.00 0.00 0.00 179.25 177.86 1itz h PRO 47 N 0.54 0.21 0.00 0.00 0.11 -1.85 0.37 132.00 131.38 1itz h PRO 47 Ca 0.39 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.41 1itz h PRO 47 Cb 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1itz h PRO 47 CO -0.34 0.14 -0.39 0.00 -0.21 0.00 0.00 178.00 177.20 1itz h MET 48 N 0.21 0.00 -0.23 1.05 -0.00 -1.73 -2.57 114.93 111.66 1itz h MET 48 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.83 1itz h MET 48 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 1itz h MET 48 CO -0.19 0.39 0.05 0.78 -0.00 0.00 0.00 176.91 177.94 1itz h GLY 49 N 3.02 0.40 0.68 -3.00 0.00 -0.36 -1.42 103.07 102.40 1itz h GLY 49 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1itz h GLY 49 CO 0.05 0.24 -0.32 0.84 0.00 0.00 0.00 176.54 177.35 1itz h HIS 50 N 0.19 -0.87 -0.70 5.60 6.17 -0.87 -0.35 115.15 124.33 1itz h HIS 50 Ca 0.07 0.00 0.11 0.00 0.71 0.00 0.00 60.37 61.26 1itz h HIS 50 Cb 0.30 0.33 -0.08 0.00 2.52 0.00 0.00 27.41 30.48 1itz h HIS 50 CO 0.02 -0.46 0.31 0.28 0.71 0.00 0.00 177.93 178.78 1itz h VAL 51 N -0.69 0.77 0.76 5.26 2.07 -1.42 0.26 116.25 123.25 1itz h VAL 51 Ca -0.02 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1itz h VAL 51 Cb 0.62 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1itz h VAL 51 CO -0.04 0.09 -0.37 0.25 0.02 0.00 0.00 177.57 177.52 1itz h LEU 52 N 0.51 -0.87 -0.49 2.57 5.85 -0.92 -0.43 115.31 121.53 1itz h LEU 52 Ca 0.36 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.93 1itz h LEU 52 Cb 0.45 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1itz h LEU 52 CO -0.32 -0.53 -0.75 1.88 -0.34 0.00 0.00 178.44 178.38 1itz h TYR 53 N -1.18 0.09 0.03 1.25 -1.99 -0.97 -0.32 116.97 113.87 1itz h TYR 53 Ca -0.10 -0.04 -0.28 0.00 2.00 0.00 0.00 58.73 60.30 1itz h TYR 53 Cb 0.80 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 1itz h TYR 53 CO -0.00 0.79 -1.54 0.22 -0.00 0.00 0.00 178.16 177.62 1itz h ASP 54 N 0.04 0.09 0.00 3.88 -0.00 -0.56 -3.43 116.42 116.43 1itz h ASP 54 Ca -0.01 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.03 56.82 1itz h ASP 54 Cb 1.32 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.62 1itz h ASP 54 CO 0.10 1.13 -1.15 -0.62 -0.00 0.00 0.00 179.24 178.70 1itz n GLU 55 N -3.21 3.48 -0.11 0.28 1.02 -0.24 -4.95 120.64 116.91 1itz n GLU 55 Ca -0.14 -0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.81 1itz n GLU 55 Cb 1.03 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 31.31 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 -2.10 1.51 -2.14 2.62 0.31 -0.76 -4.99 118.33 112.77 1itz n VAL 56 Ca -0.04 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 63.83 1itz n VAL 56 Cb 0.57 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 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 -2.53 3.67 -0.21 5.55 -1.94 -0.16 -5.03 119.30 118.66 1itz s MET 57 Ca -0.31 1.92 -0.08 0.00 -1.71 0.00 0.00 55.69 55.52 1itz s MET 57 Cb 0.08 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1itz s MET 57 CO 0.46 -0.67 0.07 1.03 -0.01 0.00 0.00 175.02 175.91 1itz s ARG 58 N -2.67 3.89 0.06 2.03 0.52 -1.26 -4.93 118.95 116.58 1itz s ARG 58 Ca 0.64 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 55.20 1itz s ARG 58 Cb -0.32 -3.28 0.09 0.00 0.52 0.00 0.00 34.95 31.96 1itz s ARG 58 CO 0.39 0.12 0.99 1.52 0.02 0.00 0.00 175.30 178.34 1itz s TYR 59 N 0.80 -0.20 -0.29 -0.53 -0.85 -1.26 -1.52 117.35 113.51 1itz s TYR 59 Ca 0.04 -0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1itz s TYR 59 Cb -0.13 0.59 0.07 0.00 0.38 0.00 0.00 41.96 42.86 1itz s TYR 59 CO 0.02 -0.62 -0.04 1.21 -1.52 0.00 0.00 175.55 174.59 1itz s ASN 60 N -2.74 4.63 0.62 -0.18 3.84 -1.26 -4.33 114.94 115.52 1itz s ASN 60 Ca 0.10 -1.55 0.35 0.00 0.21 0.00 0.00 52.86 51.96 1itz s ASN 60 Cb -0.00 -1.61 1.99 0.00 -0.55 0.00 0.00 41.25 41.08 1itz s ASN 60 CO -0.03 -0.26 2.25 1.55 -2.79 0.00 0.00 177.10 177.83 1itz h PRO 61 N 7.80 0.00 -0.01 0.43 0.13 -1.85 -0.91 132.00 137.59 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 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1itz h PRO 61 CO 0.50 0.00 -0.09 1.63 -0.23 0.00 0.00 178.00 179.80 1itz n LYS 62 N -3.54 1.38 -3.36 0.86 4.76 -1.26 -4.29 118.16 112.72 1itz n LYS 62 Ca -0.02 -0.82 -0.25 0.00 -2.87 0.00 0.00 58.31 54.35 1itz n LYS 62 Cb 0.14 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.18 1.44 0.00 4.39 3.04 -0.34 -4.97 114.94 116.32 1itz s ASN 63 Ca 0.33 -2.77 0.08 0.00 0.04 0.00 0.00 52.86 50.54 1itz s ASN 63 Cb 0.20 -0.22 0.49 0.00 -1.54 0.00 0.00 41.25 40.18 1itz s ASN 63 CO 0.40 -0.19 0.95 -0.81 -3.04 0.00 0.00 177.10 174.41 1itz n PRO 64 N 3.10 0.26 -0.06 0.43 -0.04 -1.25 -2.47 135.00 134.97 1itz n PRO 64 Ca 0.26 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1itz n PRO 64 Cb 0.47 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.00 0.16 -1.59 0.54 4.02 -1.26 -4.76 117.16 113.27 1itz n TYR 65 Ca 0.06 -0.12 -0.50 0.00 -0.01 0.00 0.00 57.90 57.33 1itz n TYR 65 Cb 0.03 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 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 0.91 1.98 -0.27 -0.72 -0.00 -1.03 -4.86 117.44 113.44 1itz n TRP 66 Ca 0.11 0.18 0.05 0.00 -0.00 0.00 0.00 57.50 57.84 1itz n TRP 66 Cb 0.42 -2.59 0.14 0.00 -0.00 0.00 0.00 31.31 29.29 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 10.62 -0.18 -0.32 5.87 3.04 -1.93 -2.28 116.94 131.77 1itz h PHE 67 Ca -0.39 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1itz h PHE 67 Cb 1.30 0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.01 1itz h PHE 67 CO 0.90 -0.29 0.00 -1.71 -2.02 0.00 0.00 178.31 175.19 1itz n ASN 68 N -5.41 3.51 -4.75 0.41 5.15 -1.26 -4.94 115.26 107.96 1itz n ASN 68 Ca 0.13 -2.48 -0.33 0.00 -0.60 0.00 0.00 54.58 51.31 1itz n ASN 68 Cb 0.47 -0.58 0.08 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.93 2.39 0.51 1.20 1.70 -0.86 -4.67 118.95 117.28 1itz s ARG 69 Ca 0.30 1.45 -0.18 0.00 -0.47 0.00 0.00 55.73 56.83 1itz s ARG 69 Cb 0.22 -1.89 -0.08 0.00 -0.57 0.00 0.00 34.95 32.63 1itz s ARG 69 CO 0.09 -1.58 1.00 -0.51 -1.08 0.00 0.00 175.30 173.22 1itz s ASP 70 N -2.60 6.50 -0.10 -2.89 1.01 -0.57 -4.76 116.67 113.25 1itz s ASP 70 Ca 0.68 1.69 -0.01 0.00 0.71 0.00 0.00 52.55 55.62 1itz s ASP 70 Cb -0.22 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1itz s ASP 70 CO 0.46 -0.67 -0.05 -0.13 0.21 0.00 0.00 175.17 174.99 1itz s ARG 71 N -3.77 3.05 -0.02 8.23 3.00 -0.43 -4.87 118.95 124.14 1itz s ARG 71 Ca 0.62 -0.53 0.08 0.00 0.00 0.00 0.00 55.73 55.90 1itz s ARG 71 Cb -0.12 -2.70 -0.02 0.00 0.00 0.00 0.00 34.95 32.11 1itz s ARG 71 CO 0.27 0.54 -0.26 0.12 0.00 0.00 0.00 175.30 175.97 1itz s PHE 72 N -0.46 2.35 -0.05 -0.53 5.36 -1.26 0.31 117.98 123.69 1itz s PHE 72 Ca 0.07 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 1itz s PHE 72 Cb -0.12 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1itz s PHE 72 CO 0.02 -0.05 -0.05 0.08 -1.46 0.00 0.00 175.22 173.75 1itz s VAL 73 N -0.57 0.61 -0.65 3.12 1.01 0.24 -4.52 120.40 119.64 1itz s VAL 73 Ca 0.09 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1itz s VAL 73 Cb -0.10 -0.63 0.17 0.00 0.00 0.00 0.00 36.38 35.81 1itz s VAL 73 CO -0.01 0.24 0.60 -0.22 0.00 0.00 0.00 175.10 175.72 1itz s LEU 74 N 0.95 6.40 0.19 3.92 2.96 -1.26 -1.80 118.68 130.04 1itz s LEU 74 Ca -0.10 -2.15 -0.09 0.00 -0.22 0.00 0.00 54.13 51.57 1itz s LEU 74 Cb -0.14 -2.20 0.09 0.00 0.50 0.00 0.00 46.19 44.43 1itz s LEU 74 CO 0.00 -0.74 1.68 -1.28 -1.32 0.00 0.00 176.35 174.69 1itz h SER 75 N 8.44 1.08 -0.98 3.68 0.87 -1.52 -3.20 113.55 121.91 1itz h SER 75 Ca -0.14 -0.27 -0.72 0.00 -1.23 0.00 0.00 61.79 59.43 1itz h SER 75 Cb 1.08 -0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 62.64 1itz h SER 75 CO 0.92 1.08 2.28 0.00 -0.53 0.00 0.00 176.83 180.58 1itz n ALA 76 N -2.47 4.65 0.05 6.23 0.00 -1.17 -4.50 120.51 123.30 1itz n ALA 76 Ca 0.04 -4.05 0.18 0.00 0.00 0.00 0.00 53.44 49.61 1itz n ALA 76 Cb 0.31 -3.33 0.69 0.00 0.00 0.00 0.00 19.45 17.12 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 10.11 0.00 1.44 0.00 0.00 -1.85 -2.36 103.07 110.41 1itz h GLY 77 Ca 0.45 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1itz h GLY 77 CO 1.59 0.00 0.23 1.12 0.00 0.00 0.00 176.54 179.48 1itz h HIS 78 N 0.00 0.00 -0.31 5.60 2.07 -1.87 -1.14 115.15 119.50 1itz h HIS 78 Ca 0.20 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.59 1itz h HIS 78 Cb 0.83 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.73 1itz h HIS 78 CO 0.00 0.00 0.18 0.41 -3.07 0.00 0.00 177.93 175.45 1itz n GLY 79 N -1.40 2.67 0.40 6.13 0.00 -0.89 -4.32 105.19 107.78 1itz n GLY 79 Ca 0.02 -0.36 0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.22 0.00 2.86 -1.86 0.60 114.93 116.31 1itz h MET 81 Ca 0.23 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1itz h MET 81 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1itz h MET 81 CO -0.00 0.00 0.06 1.25 1.06 0.00 0.00 176.91 179.28 1itz h LEU 82 N 0.00 0.33 -0.20 1.22 5.85 -1.35 -1.50 115.31 119.66 1itz h LEU 82 Ca 0.00 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.32 1itz h LEU 82 Cb 0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1itz h LEU 82 CO -0.00 0.46 -0.59 -0.61 -0.34 0.00 0.00 178.44 177.36 1itz h GLN 83 N 0.18 0.76 -0.90 1.25 4.15 -1.10 -2.56 115.11 116.88 1itz h GLN 83 Ca 0.07 -0.54 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1itz h GLN 83 Cb 0.25 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1itz h GLN 83 CO -0.00 1.16 0.57 1.88 -1.93 0.00 0.00 178.83 180.51 1itz h TYR 84 N 0.48 1.17 -0.73 3.99 0.05 -1.11 0.21 116.97 121.03 1itz h TYR 84 Ca -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1itz h TYR 84 Cb 1.21 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1itz h TYR 84 CO 0.09 0.76 0.41 0.00 -1.05 0.00 0.00 178.16 178.37 1itz h ALA 85 N 1.31 0.94 -0.26 3.88 0.00 -1.22 -1.04 119.26 122.87 1itz h ALA 85 Ca 0.33 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1itz h ALA 85 Cb -0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1itz h ALA 85 CO -0.07 0.44 -0.33 -0.07 0.00 0.00 0.00 179.25 179.23 1itz h LEU 86 N 1.01 0.74 -0.92 0.00 3.38 -1.02 -1.83 115.31 116.67 1itz h LEU 86 Ca 0.26 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1itz h LEU 86 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1itz h LEU 86 CO -0.04 1.09 0.61 -0.07 0.09 0.00 0.00 178.44 180.11 1itz h LEU 87 N 0.41 1.04 -0.13 1.67 3.38 -0.80 0.13 115.31 121.02 1itz h LEU 87 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1itz h LEU 87 Cb 0.91 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1itz h LEU 87 CO 0.08 0.74 0.04 -0.74 0.09 0.00 0.00 178.44 178.65 1itz h HIS 88 N 1.23 0.21 -0.64 1.13 2.76 -1.11 -1.45 115.15 117.28 1itz h HIS 88 Ca 0.35 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 1itz h HIS 88 Cb -0.10 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1itz h HIS 88 CO -0.01 0.33 0.13 -0.07 -1.30 0.00 0.00 177.93 177.01 1itz h LEU 89 N 0.03 0.97 -1.24 0.26 4.07 -0.99 -2.50 115.31 115.92 1itz h LEU 89 Ca 0.04 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1itz h LEU 89 Cb 0.21 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1itz h LEU 89 CO -0.00 0.96 0.00 0.00 -1.08 0.00 0.00 178.44 178.31 1itz h ALA 90 N 1.16 1.00 0.00 1.53 0.00 -0.63 -3.43 119.26 118.90 1itz h ALA 90 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1itz h ALA 90 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1itz h ALA 90 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1itz n GLY 91 N -0.35 0.97 3.74 0.00 0.00 -0.94 -4.58 105.19 104.04 1itz n GLY 91 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 3.47 0.34 1.61 1.51 -0.59 -4.62 117.35 117.07 1itz s TYR 92 Ca 0.00 1.49 0.38 0.00 -1.01 0.00 0.00 57.07 57.94 1itz s TYR 92 Cb 0.00 -3.38 1.83 0.00 -0.11 0.00 0.00 41.96 40.29 1itz s TYR 92 CO 0.00 -1.01 2.15 -0.44 -1.11 0.00 0.00 175.55 175.14 1itz h ASP 93 N 5.04 0.00 1.17 2.29 3.32 -1.90 -2.91 116.42 123.42 1itz h ASP 93 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1itz h ASP 93 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1itz h ASP 93 CO 0.73 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.71 1itz n SER 94 N -3.08 0.60 -3.69 6.45 3.41 -1.26 -4.42 113.62 111.63 1itz n SER 94 Ca -0.01 0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 58.89 1itz n SER 94 Cb 0.20 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.29 1itz n SER 94 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1itz s VAL 95 N -3.13 1.31 0.60 -3.33 1.01 -1.10 -4.88 120.40 110.87 1itz s VAL 95 Ca 0.10 -2.54 0.02 0.00 0.00 0.00 0.00 61.98 59.56 1itz s VAL 95 Cb 0.13 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.66 1itz s VAL 95 CO 0.52 -0.92 0.83 -0.54 0.00 0.00 0.00 175.10 174.99 1itz s LYS 96 N 0.35 2.26 0.26 2.72 1.02 -1.26 -4.29 119.74 120.80 1itz s LYS 96 Ca 0.18 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 1itz s LYS 96 Cb -0.23 -2.48 0.52 0.00 -0.52 0.00 0.00 37.83 35.12 1itz s LYS 96 CO -0.01 -0.93 1.76 1.49 -0.92 0.00 0.00 175.35 176.74 1itz h GLU 97 N -0.06 0.60 -0.02 1.68 4.81 -1.98 -0.33 114.58 119.28 1itz h GLU 97 Ca -0.39 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 1itz h GLU 97 Cb 1.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1itz h GLU 97 CO 0.46 0.40 -0.40 1.49 -0.73 0.00 0.00 179.01 180.23 1itz h GLU 98 N 0.62 0.04 -0.43 1.92 4.57 -1.98 -2.41 114.58 116.90 1itz h GLU 98 Ca 0.45 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.53 1itz h GLU 98 Cb 0.63 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1itz h GLU 98 CO -0.36 0.43 -0.11 -0.44 -1.18 0.00 0.00 179.01 177.35 1itz h ASP 99 N 0.03 0.76 0.17 1.04 3.32 -1.44 -2.03 116.42 118.28 1itz h ASP 99 Ca -0.00 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 1itz h ASP 99 Cb 0.73 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1itz h ASP 99 CO 0.05 0.90 -0.25 -0.07 -1.72 0.00 0.00 179.24 178.16 1itz h LEU 100 N 0.70 0.14 -0.01 1.55 3.38 -0.96 -1.38 115.31 118.73 1itz h LEU 100 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1itz h LEU 100 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1itz h LEU 100 CO 0.04 0.40 -0.00 0.29 0.09 0.00 0.00 178.44 179.25 1itz n LYS 101 N -4.19 0.90 -0.21 1.13 5.02 -0.80 -2.94 118.16 117.06 1itz n LYS 101 Ca -0.01 -0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 1itz n LYS 101 Cb 0.34 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.04 2.25 -1.63 1.97 1.13 -0.53 -4.97 117.38 114.56 1itz n GLN 102 Ca 0.22 -2.50 -0.50 0.00 -1.94 0.00 0.00 57.00 52.28 1itz n GLN 102 Cb 0.14 -1.55 -0.05 0.00 0.11 0.00 0.00 30.24 28.88 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 -0.79 1.86 -1.47 1.08 7.35 -1.15 -1.51 117.46 122.82 1itz n PHE 103 Ca 0.16 0.47 -0.16 0.00 -0.76 0.00 0.00 57.45 57.15 1itz n PHE 103 Cb 0.67 -2.43 -0.07 0.00 0.35 0.00 0.00 39.48 38.00 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 3.02 -1.37 -4.04 -4.13 1.74 -0.44 -4.72 116.66 106.73 1itz n ARG 104 Ca 0.18 1.07 -0.28 0.00 -0.77 0.00 0.00 57.85 58.05 1itz n ARG 104 Cb 0.23 -5.37 -0.05 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.35 2.99 -0.40 5.56 -1.52 -0.57 -4.91 119.66 117.45 1itz s GLN 105 Ca 0.00 -0.75 -0.45 0.00 -1.95 0.00 0.00 55.36 52.21 1itz s GLN 105 Cb 0.00 -2.74 -0.19 0.00 -0.22 0.00 0.00 33.01 29.86 1itz s GLN 105 CO 0.00 0.53 1.57 1.87 -0.25 0.00 0.00 175.29 179.00 1itz n TRP 106 N -0.05 1.70 -2.17 0.91 -0.00 -1.26 -2.07 117.44 114.50 1itz n TRP 106 Ca -0.08 1.03 -0.21 0.00 -0.00 0.00 0.00 57.50 58.24 1itz n TRP 106 Cb 0.53 -2.26 -0.03 0.00 -0.00 0.00 0.00 31.31 29.55 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 3.76 0.24 3.93 5.87 0.00 -1.26 -5.00 105.19 112.73 1itz n GLY 107 Ca 0.29 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.27 5.47 0.00 1.61 1.04 -0.88 -4.96 113.70 113.72 1itz s SER 108 Ca 0.00 0.49 0.18 0.00 0.48 0.00 0.00 55.95 57.10 1itz s SER 108 Cb 0.00 -1.46 0.92 0.00 0.10 0.00 0.00 66.02 65.57 1itz s SER 108 CO 0.00 -1.09 1.61 0.54 0.98 0.00 0.00 173.24 175.29 1itz n ARG 109 N -2.50 1.27 -3.26 4.02 1.74 -1.26 -4.21 116.66 112.45 1itz n ARG 109 Ca 0.05 -0.40 -0.26 0.00 -0.77 0.00 0.00 57.85 56.47 1itz n ARG 109 Cb 0.58 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.37 1.57 -1.21 0.55 -2.24 -1.26 -4.59 114.28 106.73 1itz n THR 110 Ca 0.14 -4.95 -0.30 0.00 -2.27 0.00 0.00 64.05 56.67 1itz n THR 110 Cb 0.16 -1.79 0.13 0.00 -2.10 0.00 0.00 70.33 66.73 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 -2.35 1.34 0.61 -0.78 0.04 -1.26 -1.32 135.00 131.28 1itz s PRO 111 Ca 0.40 0.85 0.30 0.00 0.04 0.00 0.00 61.00 62.60 1itz s PRO 111 Cb 0.19 -1.82 1.64 0.00 0.04 0.00 0.00 34.50 34.56 1itz s PRO 111 CO -0.06 -2.19 2.01 0.78 0.04 0.00 0.00 177.00 177.57 1itz h GLY 112 N -1.52 0.00 -4.96 0.56 0.00 -1.95 -3.41 103.07 91.79 1itz h GLY 112 Ca -0.49 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.54 1itz h GLY 112 CO 0.54 0.00 -0.75 0.30 0.00 0.00 0.00 176.54 176.64 1itz s HIS 113 N -4.46 0.64 0.15 5.60 3.76 -1.26 -4.72 115.29 115.00 1itz s HIS 113 Ca -0.04 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.20 1itz s HIS 113 Cb 0.14 -0.39 -0.10 0.00 1.11 0.00 0.00 32.58 33.33 1itz s HIS 113 CO 0.47 -0.05 1.68 -1.25 -0.85 0.00 0.00 174.74 174.74 1itz s PRO 114 N -1.06 4.17 -0.16 8.40 0.04 -1.26 -4.94 135.00 140.20 1itz s PRO 114 Ca -0.05 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1itz s PRO 114 Cb -0.07 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1itz s PRO 114 CO 0.00 -0.72 -0.10 -1.21 0.04 0.00 0.00 177.00 175.02 1itz s GLU 115 N 1.72 1.91 0.50 4.56 2.02 -1.26 -2.29 118.70 125.86 1itz s GLU 115 Ca 0.74 -0.55 0.22 0.00 0.02 0.00 0.00 54.97 55.41 1itz s GLU 115 Cb -0.45 -2.04 1.31 0.00 0.10 0.00 0.00 34.13 33.04 1itz s GLU 115 CO 0.33 -0.32 2.06 -2.95 0.02 0.00 0.00 175.26 174.39 1itz h ASN 116 N 8.08 0.00 0.64 -0.19 7.08 -1.74 -1.77 115.58 127.67 1itz h ASN 116 Ca -0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 1itz h ASN 116 Cb 1.12 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 1itz h ASN 116 CO 0.47 0.13 -0.04 2.22 -2.08 0.00 0.00 177.43 178.13 1itz n PHE 117 N -3.94 0.00 -0.03 4.14 1.16 -1.26 -3.57 117.46 113.96 1itz n PHE 117 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.55 1itz n PHE 117 Cb 0.22 -0.32 -0.07 0.00 -1.61 0.00 0.00 39.48 37.70 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 -1.30 1.72 -3.74 3.97 -0.58 -0.85 -4.97 120.64 114.89 1itz n GLU 118 Ca 0.12 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.53 1itz n GLU 118 Cb 0.28 -1.23 -0.14 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.38 1.08 -0.03 2.62 2.01 -0.73 -4.77 115.64 113.44 1itz s THR 119 Ca -0.04 -1.77 -0.35 0.00 0.31 0.00 0.00 61.69 59.84 1itz s THR 119 Cb 0.04 -1.80 -0.13 0.00 0.01 0.00 0.00 72.50 70.62 1itz s THR 119 CO 0.37 -0.74 1.73 -2.65 -0.69 0.00 0.00 174.62 172.65 1itz n PRO 120 N 4.45 1.94 0.00 4.92 -0.02 -1.26 -0.78 135.00 144.25 1itz n PRO 120 Ca 0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1itz n PRO 120 Cb 0.40 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 3.94 2.18 3.60 -1.23 0.00 -1.26 -4.67 105.19 107.75 1itz n GLY 121 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.99 5.26 0.11 1.61 1.01 0.04 -4.99 120.40 121.45 1itz s VAL 122 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1itz s VAL 122 Cb 0.00 -3.59 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 1itz s VAL 122 CO 0.00 0.22 1.31 -0.33 0.00 0.00 0.00 175.10 176.30 1itz h GLU 123 N 8.27 0.73 -4.48 2.72 4.39 -1.86 -3.38 114.58 120.97 1itz h GLU 123 Ca -0.34 -0.62 -0.22 0.00 0.34 0.00 0.00 59.36 58.52 1itz h GLU 123 Cb 1.18 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.82 1itz h GLU 123 CO 0.59 1.23 -0.57 0.14 -1.16 0.00 0.00 179.01 179.24 1itz s VAL 124 N -3.67 0.01 -0.25 3.13 -7.23 -1.26 -4.81 120.40 106.32 1itz s VAL 124 Ca -0.09 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 1itz s VAL 124 Cb 0.09 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1itz s VAL 124 CO 0.90 -0.03 0.27 -0.89 -0.31 0.00 0.00 175.10 175.04 1itz s THR 125 N -4.14 5.27 0.50 5.32 2.01 -1.26 -3.81 115.64 119.53 1itz s THR 125 Ca 0.36 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1itz s THR 125 Cb 0.06 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1itz s THR 125 CO 0.11 0.25 0.01 0.42 -0.69 0.00 0.00 174.62 174.72 1itz s THR 126 N 1.56 1.16 0.00 -0.82 -4.23 -0.97 -4.87 115.64 107.46 1itz s THR 126 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1itz s THR 126 Cb -0.15 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1itz s THR 126 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1itz n GLY 127 N -1.23 2.81 3.65 3.99 0.00 -1.26 -4.20 105.19 108.94 1itz n GLY 127 Ca -0.18 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 4.07 0.33 1.61 0.02 -1.26 -4.75 135.00 135.03 1itz s PRO 128 Ca 0.00 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 1itz s PRO 128 Cb 0.00 -3.84 -0.12 0.00 0.02 0.00 0.00 34.50 30.56 1itz s PRO 128 CO 0.00 -0.92 1.33 1.28 -0.33 0.00 0.00 177.00 178.36 1itz n LEU 129 N 7.17 3.64 0.00 -5.54 4.77 -1.26 -3.01 117.00 122.76 1itz n LEU 129 Ca 0.15 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 1itz n LEU 129 Cb 0.45 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1itz n LEU 129 CO 0.60 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1itz n GLY 130 N 0.93 3.11 0.26 -0.72 0.00 -1.26 -4.90 105.19 102.61 1itz n GLY 130 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 1.15 0.86 -0.02 1.61 1.08 -1.86 -3.09 115.11 114.84 1itz h GLN 131 Ca 0.00 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1itz h GLN 131 Cb 0.00 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.25 1itz h GLN 131 CO 0.00 0.77 -0.32 0.78 -0.95 0.00 0.00 178.83 179.11 1itz h GLY 132 N 0.78 -0.51 1.35 3.46 0.00 -1.81 0.18 103.07 106.52 1itz h GLY 132 Ca 0.18 0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.90 1itz h GLY 132 CO -0.01 -0.23 0.43 1.19 0.00 0.00 0.00 176.54 177.93 1itz h ILE 133 N -0.46 1.16 -0.39 2.60 6.09 -1.90 0.02 117.51 124.64 1itz h ILE 133 Ca 0.07 -0.30 -0.16 0.00 -1.37 0.00 0.00 64.86 63.09 1itz h ILE 133 Cb 0.55 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.04 1itz h ILE 133 CO -0.28 0.16 -0.38 0.00 -3.07 0.00 0.00 178.15 174.58 1itz h ALA 134 N 1.59 0.58 -0.56 0.18 0.00 -1.29 -2.28 119.26 117.48 1itz h ALA 134 Ca 0.24 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1itz h ALA 134 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1itz h ALA 134 CO -0.05 0.68 0.36 -0.91 0.00 0.00 0.00 179.25 179.32 1itz h ASN 135 N 0.77 0.60 -0.97 0.00 -0.26 0.01 -2.10 115.58 113.63 1itz h ASN 135 Ca 0.06 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.84 1itz h ASN 135 Cb 0.97 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 38.03 1itz h ASN 135 CO 0.09 0.43 0.62 0.00 -1.06 0.00 0.00 177.43 177.52 1itz h ALA 136 N 1.22 1.31 -0.32 -0.83 0.00 -0.78 0.10 119.26 119.95 1itz h ALA 136 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1itz h ALA 136 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1itz h ALA 136 CO -0.06 0.46 0.22 0.28 0.00 0.00 0.00 179.25 180.14 1itz h VAL 137 N 1.17 1.06 0.02 0.00 2.07 -0.81 0.48 116.25 120.24 1itz h VAL 137 Ca 0.40 -0.14 -0.26 0.00 0.82 0.00 0.00 66.70 67.53 1itz h VAL 137 Cb 0.08 0.62 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1itz h VAL 137 CO -0.15 0.07 -1.04 1.23 0.02 0.00 0.00 177.57 177.70 1itz h GLY 138 N 0.40 0.64 1.00 2.17 0.00 -0.49 -1.85 103.07 104.94 1itz h GLY 138 Ca 0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 47.33 46.24 1itz h GLY 138 CO -0.03 1.03 0.17 1.41 0.00 0.00 0.00 176.54 179.12 1itz h LEU 139 N 0.31 0.86 -0.87 3.11 3.38 -0.15 -0.64 115.31 121.30 1itz h LEU 139 Ca -0.12 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1itz h LEU 139 Cb 1.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1itz h LEU 139 CO 0.19 0.85 -0.52 0.00 0.09 0.00 0.00 178.44 179.05 1itz h ALA 140 N 1.04 1.06 -0.49 1.53 0.00 -0.97 -2.12 119.26 119.31 1itz h ALA 140 Ca 0.19 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1itz h ALA 140 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1itz h ALA 140 CO -0.00 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 181.02 1itz h LEU 141 N 0.09 0.94 -0.24 0.00 6.46 -0.99 -1.41 115.31 120.15 1itz h LEU 141 Ca -0.00 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1itz h LEU 141 Cb 0.95 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1itz h LEU 141 CO 0.07 1.08 0.09 0.00 -0.62 0.00 0.00 178.44 179.06 1itz h ALA 142 N 1.00 0.31 -0.32 1.25 0.00 -0.78 -0.10 119.26 120.62 1itz h ALA 142 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1itz h ALA 142 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1itz h ALA 142 CO 0.05 -0.09 0.21 1.49 0.00 0.00 0.00 179.25 180.90 1itz h GLU 143 N 0.23 0.43 -0.61 0.00 4.22 -1.25 0.37 114.58 117.97 1itz h GLU 143 Ca 0.08 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 1itz h GLU 143 Cb 0.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1itz h GLU 143 CO -0.01 0.30 0.23 -0.22 -2.18 0.00 0.00 179.01 177.14 1itz h LYS 144 N 0.43 0.92 -0.19 1.92 3.64 -1.14 0.17 116.57 122.33 1itz h LYS 144 Ca 0.12 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1itz h LYS 144 Cb -0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1itz h LYS 144 CO -0.02 0.79 0.09 1.25 -2.27 0.00 0.00 179.45 179.28 1itz h HIS 145 N 0.86 0.27 -0.65 1.91 2.76 -0.75 -1.42 115.15 118.13 1itz h HIS 145 Ca 0.20 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1itz h HIS 145 Cb 0.22 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1itz h HIS 145 CO 0.01 0.30 0.27 -0.07 -1.30 0.00 0.00 177.93 177.14 1itz h LEU 146 N 0.17 0.90 -0.04 0.26 4.07 -0.69 -1.08 115.31 118.90 1itz h LEU 146 Ca 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1itz h LEU 146 Cb 0.13 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1itz h LEU 146 CO -0.01 0.82 0.01 0.00 -1.08 0.00 0.00 178.44 178.18 1itz h ALA 147 N 1.11 0.05 -0.25 1.53 0.00 -0.82 0.95 119.26 121.84 1itz h ALA 147 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1itz h ALA 147 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1itz h ALA 147 CO -0.02 -0.33 0.09 0.00 0.00 0.00 0.00 179.25 178.99 1itz h ALA 148 N 0.80 1.68 0.00 0.00 0.00 -1.20 -0.14 119.26 120.40 1itz h ALA 148 Ca 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1itz h ALA 148 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1itz h ALA 148 CO -0.00 0.25 -1.38 -0.09 0.00 0.00 0.00 179.25 178.04 1itz h ARG 149 N 0.35 0.00 0.00 0.00 2.43 -0.95 -3.42 114.38 112.79 1itz h ARG 149 Ca 0.09 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1itz h ARG 149 Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1itz h ARG 149 CO -0.01 0.61 -1.21 1.19 -1.51 0.00 0.00 179.97 179.05 1itz n PHE 150 N -3.12 0.00 -2.01 2.20 3.01 0.31 -5.04 117.46 112.80 1itz n PHE 150 Ca -0.10 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.99 1itz n PHE 150 Cb 0.97 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 40.34 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 -2.72 5.48 0.31 4.37 0.01 -0.08 -4.88 114.94 117.44 1itz s ASN 151 Ca -0.02 2.48 0.11 0.00 -0.71 0.00 0.00 52.86 54.72 1itz s ASN 151 Cb 0.02 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1itz s ASN 151 CO 0.17 -1.40 -0.14 -0.54 -1.51 0.00 0.00 177.10 173.68 1itz s LYS 152 N -3.03 1.77 0.45 -0.60 3.01 0.01 -4.96 119.74 116.39 1itz s LYS 152 Ca 0.72 -1.84 0.14 0.00 -1.01 0.00 0.00 55.97 53.98 1itz s LYS 152 Cb -0.33 -1.76 1.06 0.00 -1.01 0.00 0.00 37.83 35.79 1itz s LYS 152 CO 0.38 0.24 2.02 -1.00 0.51 0.00 0.00 175.35 177.50 1itz h PRO 153 N 2.13 0.34 -0.35 -1.68 0.13 -2.02 -1.86 132.00 128.69 1itz h PRO 153 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1itz h PRO 153 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1itz h PRO 153 CO 0.65 0.23 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 1itz n ASP 154 N -4.47 3.25 -3.35 1.44 3.85 -1.26 -4.84 116.55 111.16 1itz n ASP 154 Ca 0.07 -1.93 -0.14 0.00 -0.71 0.00 0.00 54.79 52.08 1itz n ASP 154 Cb 0.28 -0.23 -0.08 0.00 -1.35 0.00 0.00 41.12 39.75 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 -1.34 1.07 -1.13 -1.12 0.15 -0.70 -5.06 113.70 105.58 1itz s SER 155 Ca 0.34 -0.69 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 1itz s SER 155 Cb 0.20 0.77 0.23 0.00 -1.71 0.00 0.00 66.02 65.51 1itz s SER 155 CO 0.28 -0.36 1.22 -0.70 1.20 0.00 0.00 173.24 174.88 1itz s GLU 156 N 2.33 4.11 0.17 5.44 2.12 -1.26 -0.81 118.70 130.80 1itz s GLU 156 Ca 0.10 -2.89 0.08 0.00 0.36 0.00 0.00 54.97 52.63 1itz s GLU 156 Cb -0.13 -4.76 -0.04 0.00 0.26 0.00 0.00 34.13 29.46 1itz s GLU 156 CO -0.29 -1.46 1.38 -0.84 -0.54 0.00 0.00 175.26 173.51 1itz h ILE 157 N 4.18 1.62 -3.42 -3.70 3.07 -1.92 -3.43 117.51 113.91 1itz h ILE 157 Ca 0.23 -3.02 -0.64 0.00 1.55 0.00 0.00 64.86 62.97 1itz h ILE 157 Cb 0.89 2.63 -0.22 0.00 -0.27 0.00 0.00 36.82 39.85 1itz h ILE 157 CO 1.09 0.86 -0.65 0.68 -1.05 0.00 0.00 178.15 179.08 1itz s VAL 158 N -2.98 4.03 -0.35 0.16 -7.23 -1.26 -4.93 120.40 107.84 1itz s VAL 158 Ca 0.00 -0.29 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1itz s VAL 158 Cb 0.11 -2.82 0.19 0.00 0.56 0.00 0.00 36.38 34.41 1itz s VAL 158 CO 0.80 0.43 0.81 -0.62 -0.31 0.00 0.00 175.10 176.21 1itz s ASP 159 N 0.93 -1.03 0.06 4.85 3.68 -1.26 -4.71 116.67 119.19 1itz s ASP 159 Ca 0.01 -0.37 -0.07 0.00 2.13 0.00 0.00 52.55 54.26 1itz s ASP 159 Cb -0.14 1.38 -0.01 0.00 -1.45 0.00 0.00 42.92 42.70 1itz s ASP 159 CO 0.02 -0.13 0.13 -1.38 0.13 0.00 0.00 175.17 173.94 1itz s HIS 160 N 2.13 0.21 0.16 -5.34 -3.43 -1.26 -4.97 115.29 102.79 1itz s HIS 160 Ca 0.16 -0.60 0.04 0.00 -0.80 0.00 0.00 55.06 53.86 1itz s HIS 160 Cb -0.02 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1itz s HIS 160 CO -0.14 -0.45 0.22 0.71 -2.00 0.00 0.00 174.74 173.08 1itz s TYR 161 N -3.36 3.33 -0.24 0.38 2.02 -1.26 -4.95 117.35 113.27 1itz s TYR 161 Ca 0.01 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 1itz s TYR 161 Cb 0.03 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1itz s TYR 161 CO -0.08 0.52 -0.07 0.99 -1.57 0.00 0.00 175.55 175.33 1itz s THR 162 N -1.76 2.81 -0.08 -0.71 2.01 -0.61 -1.31 115.64 115.99 1itz s THR 162 Ca 0.33 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1itz s THR 162 Cb -0.10 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1itz s THR 162 CO 0.26 0.23 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.10 1itz s TYR 163 N 1.32 3.14 -0.06 4.92 2.02 0.15 -1.05 117.35 127.79 1itz s TYR 163 Ca 0.00 0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1itz s TYR 163 Cb -0.16 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1itz s TYR 163 CO -0.05 0.46 0.15 0.54 -1.57 0.00 0.00 175.55 175.07 1itz s VAL 164 N -0.89 -0.01 -0.20 0.71 0.11 -0.94 -0.59 120.40 118.59 1itz s VAL 164 Ca 0.13 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1itz s VAL 164 Cb -0.11 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1itz s VAL 164 CO 0.03 0.02 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.14 1itz s ILE 165 N 0.36 3.45 0.14 7.04 1.01 -0.74 0.11 121.20 132.57 1itz s ILE 165 Ca -0.02 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.20 1itz s ILE 165 Cb -0.04 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1itz s ILE 165 CO -0.01 0.44 -0.11 -1.48 0.00 0.00 0.00 174.94 173.78 1itz s LEU 166 N 1.18 2.50 0.00 2.97 2.34 0.05 -1.29 118.68 126.43 1itz s LEU 166 Ca 0.02 -0.96 0.00 0.00 0.06 0.00 0.00 54.13 53.26 1itz s LEU 166 Cb -0.14 -0.40 0.00 0.00 -0.56 0.00 0.00 46.19 45.08 1itz s LEU 166 CO -0.01 -0.28 0.00 0.61 -1.06 0.00 0.00 176.35 175.61 1itz n GLY 167 N -0.01 5.31 0.34 -3.48 0.00 -1.26 -0.36 105.19 105.72 1itz n GLY 167 Ca -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 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 0.91 -0.51 1.61 5.19 -1.88 -2.83 116.42 118.91 1itz h ASP 168 Ca 0.00 -0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1itz h ASP 168 Cb 0.00 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.23 1itz h ASP 168 CO 0.00 0.76 0.23 1.23 -3.12 0.00 0.00 179.24 178.34 1itz h GLY 169 N 1.06 0.71 1.56 2.75 0.00 -1.96 -1.47 103.07 105.72 1itz h GLY 169 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1itz h GLY 169 CO -0.03 0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.40 1itz h GLN 171 N 0.48 0.00 0.00 0.00 1.08 -1.05 -2.90 115.11 112.72 1itz h GLN 171 Ca 0.08 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1itz h GLN 171 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1itz h GLN 171 CO 0.04 0.27 -0.49 0.52 -0.95 0.00 0.00 178.83 178.22 1itz h MET 172 N 0.00 0.00 -6.48 1.46 2.86 -1.09 -3.46 114.93 108.21 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 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1itz h MET 172 CO 0.04 0.17 0.61 -1.21 1.06 0.00 0.00 176.91 177.57 1itz s GLU 173 N -3.14 4.40 0.33 1.72 0.41 -1.09 -4.95 118.70 116.38 1itz s GLU 173 Ca 0.04 1.82 0.06 0.00 -0.41 0.00 0.00 54.97 56.47 1itz s GLU 173 Cb 0.07 -3.35 0.71 0.00 -1.78 0.00 0.00 34.13 29.77 1itz s GLU 173 CO 0.73 -0.31 1.86 0.78 -0.49 0.00 0.00 175.26 177.83 1itz h GLY 174 N 6.96 1.37 1.10 -1.39 0.00 -1.89 -1.62 103.07 107.60 1itz h GLY 174 Ca -0.41 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 46.66 1itz h GLY 174 CO 0.83 0.13 0.39 1.19 0.00 0.00 0.00 176.54 179.07 1itz h ILE 175 N 0.82 0.91 -0.38 2.60 2.10 -1.92 -1.05 117.51 120.59 1itz h ILE 175 Ca 0.46 -0.14 -0.08 0.00 1.08 0.00 0.00 64.86 66.18 1itz h ILE 175 Cb 0.60 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 1itz h ILE 175 CO -0.22 0.08 -0.09 0.00 -1.08 0.00 0.00 178.15 176.83 1itz h ALA 176 N 1.70 0.53 -0.59 0.18 0.00 -1.52 -1.53 119.26 118.04 1itz h ALA 176 Ca 0.26 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1itz h ALA 176 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1itz h ALA 176 CO -0.07 0.38 0.07 -0.97 0.00 0.00 0.00 179.25 178.66 1itz h ASN 177 N 0.54 0.92 0.17 0.00 -1.24 -1.23 0.11 115.58 114.85 1itz h ASN 177 Ca 0.10 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 1itz h ASN 177 Cb 0.60 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1itz h ASN 177 CO 0.04 0.94 -0.08 -0.33 -1.29 0.00 0.00 177.43 176.70 1itz h GLU 178 N 0.90 -0.21 -0.59 6.67 5.08 -1.13 -0.41 114.58 124.89 1itz h GLU 178 Ca 0.18 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1itz h GLU 178 Cb 0.43 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1itz h GLU 178 CO 0.01 -0.11 -0.04 0.00 -1.00 0.00 0.00 179.01 177.88 1itz h ALA 179 N 0.56 0.81 0.00 3.43 0.00 -1.08 -2.55 119.26 120.43 1itz h ALA 179 Ca -0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1itz h ALA 179 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1itz h ALA 179 CO 0.04 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.73 1itz h SER 181 N 0.00 0.98 -0.19 0.00 0.87 -0.79 -2.32 113.55 112.10 1itz h SER 181 Ca -0.00 -0.45 -0.18 0.00 -1.23 0.00 0.00 61.79 59.93 1itz h SER 181 Cb 0.71 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1itz h SER 181 CO 0.03 1.23 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.94 1itz h LEU 182 N 0.74 0.87 -0.44 2.23 4.07 -1.05 -2.00 115.31 119.73 1itz h LEU 182 Ca 0.07 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1itz h LEU 182 Cb 0.93 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1itz h LEU 182 CO 0.09 1.24 0.29 0.00 -1.08 0.00 0.00 178.44 178.97 1itz h ALA 183 N 0.78 0.56 -0.34 1.53 0.00 -1.05 -0.22 119.26 120.52 1itz h ALA 183 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1itz h ALA 183 Cb 1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1itz h ALA 183 CO 0.12 0.02 0.13 0.78 0.00 0.00 0.00 179.25 180.29 1itz h GLY 184 N 0.60 0.54 1.09 0.00 0.00 -1.36 -2.19 103.07 101.75 1itz h GLY 184 Ca 0.16 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.25 1itz h GLY 184 CO -0.03 0.28 0.46 0.84 0.00 0.00 0.00 176.54 178.09 1itz h HIS 185 N 0.40 0.75 -0.01 5.60 6.17 -0.99 -2.28 115.15 124.79 1itz h HIS 185 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.21 1itz h HIS 185 Cb 0.19 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 29.87 1itz h HIS 185 CO -0.00 0.40 -0.09 0.91 0.71 0.00 0.00 177.93 179.86 1itz n TRP 186 N -4.48 0.00 -3.55 5.26 8.01 -0.13 -4.59 117.44 117.97 1itz n TRP 186 Ca 0.10 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 56.09 1itz n TRP 186 Cb 0.21 -0.07 0.06 0.00 -2.01 0.00 0.00 31.31 29.49 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 1.22 -0.45 3.56 6.99 0.00 -0.85 -3.94 105.19 111.74 1itz n GLY 187 Ca 0.17 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1itz n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itz s LEU 188 N -6.41 3.97 0.54 0.99 1.43 -1.13 -4.48 118.68 113.60 1itz s LEU 188 Ca 0.08 -2.47 0.25 0.00 -1.03 0.00 0.00 54.13 50.96 1itz s LEU 188 Cb -0.02 -2.56 1.52 0.00 0.03 0.00 0.00 46.19 45.17 1itz s LEU 188 CO 0.78 -1.13 2.15 1.23 0.23 0.00 0.00 176.35 179.60 1itz h GLY 189 N 12.23 0.00 -0.37 -3.19 0.00 -1.72 -2.51 103.07 107.52 1itz h GLY 189 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1itz h GLY 189 CO 1.43 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.25 1itz n LYS 190 N -3.95 1.58 -3.13 4.80 5.02 -1.26 -4.68 118.16 116.53 1itz n LYS 190 Ca -0.03 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 55.01 1itz n LYS 190 Cb 0.15 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.82 4.11 -0.22 -0.35 2.96 -0.96 -1.57 118.68 120.82 1itz s LEU 191 Ca 0.36 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1itz s LEU 191 Cb 0.19 -2.81 0.06 0.00 0.50 0.00 0.00 46.19 44.13 1itz s LEU 191 CO 0.31 -0.42 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.22 1itz s ILE 192 N 2.54 1.55 -0.11 6.68 1.01 -0.22 -1.71 121.20 130.95 1itz s ILE 192 Ca 0.25 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1itz s ILE 192 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1itz s ILE 192 CO 0.10 -0.04 0.07 0.00 0.00 0.00 0.00 174.94 175.08 1itz s ALA 193 N 1.40 3.59 -0.22 9.38 0.00 -0.16 -2.21 121.76 133.54 1itz s ALA 193 Ca -0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1itz s ALA 193 Cb -0.18 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1itz s ALA 193 CO -0.07 0.60 0.00 -0.06 0.00 0.00 0.00 175.76 176.23 1itz s PHE 194 N -0.93 3.02 -0.41 0.00 0.40 0.30 -0.02 117.98 120.34 1itz s PHE 194 Ca 0.14 -0.64 -0.14 0.00 -0.60 0.00 0.00 56.93 55.69 1itz s PHE 194 Cb -0.12 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.31 1itz s PHE 194 CO 0.03 -0.40 0.28 -0.47 0.70 0.00 0.00 175.22 175.36 1itz s TYR 195 N 1.38 3.25 -0.77 0.36 5.04 0.22 -0.77 117.35 126.06 1itz s TYR 195 Ca 0.05 -0.81 -0.26 0.00 -2.44 0.00 0.00 57.07 53.61 1itz s TYR 195 Cb -0.15 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.51 1itz s TYR 195 CO 0.00 -0.65 1.74 0.34 -1.34 0.00 0.00 175.55 175.65 1itz s ASP 196 N 1.79 5.52 -1.22 4.32 2.15 0.51 -1.01 116.67 128.74 1itz s ASP 196 Ca 0.04 -0.31 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 1itz s ASP 196 Cb -0.20 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1itz s ASP 196 CO 0.08 -2.30 1.48 -0.62 -0.17 0.00 0.00 175.17 173.64 1itz s ASP 197 N 7.00 7.04 0.00 -0.34 2.15 -0.26 -4.18 116.67 128.09 1itz s ASP 197 Ca 0.60 -2.92 0.14 0.00 0.43 0.00 0.00 52.55 50.80 1itz s ASP 197 Cb -0.09 -2.43 0.31 0.00 -0.30 0.00 0.00 42.92 40.42 1itz s ASP 197 CO 0.10 -0.81 1.22 -0.46 -0.17 0.00 0.00 175.17 175.05 1itz n ASN 198 N 6.05 2.91 -1.61 -0.34 0.23 -1.26 -2.47 115.26 118.78 1itz n ASN 198 Ca 0.39 -1.89 -0.20 0.00 -0.53 0.00 0.00 54.58 52.35 1itz n ASN 198 Cb 0.43 -0.21 -0.08 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.81 -0.11 -4.34 -2.53 8.25 -1.26 -4.61 115.22 111.42 1itz n HIS 199 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 1itz n HIS 199 Cb 0.44 -3.36 -0.15 0.00 1.12 0.00 0.00 29.99 28.05 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 -2.68 0.68 0.00 1.59 -1.09 -1.26 -1.33 121.20 117.10 1itz s ILE 200 Ca 0.00 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1itz s ILE 200 Cb 0.00 -0.57 -0.00 0.00 -1.58 0.00 0.00 42.46 40.31 1itz s ILE 200 CO 0.00 0.19 0.00 -1.54 -1.23 0.00 0.00 174.94 172.36 1itz n SER 201 N 2.89 0.28 -0.23 3.58 3.41 -0.36 -4.81 113.62 118.38 1itz n SER 201 Ca -0.14 -1.00 -0.07 0.00 -0.26 0.00 0.00 58.87 57.40 1itz n SER 201 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 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 1.00 1.26 0.00 -1.33 2.04 -1.98 -2.26 117.51 116.24 1itz h ILE 202 Ca -0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1itz h ILE 202 Cb 0.00 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1itz h ILE 202 CO 0.00 0.37 0.00 0.47 0.00 0.00 0.00 178.15 178.99 1itz n ASP 203 N -4.23 0.00 0.00 1.72 9.92 -1.26 -4.94 116.55 117.76 1itz n ASP 203 Ca 0.05 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1itz n ASP 203 Cb 0.27 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.01 0.25 3.66 0.44 0.00 -0.85 -5.02 105.19 103.66 1itz n GLY 204 Ca 0.09 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 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 2.35 0.28 1.61 2.03 -1.26 -1.22 116.55 120.34 1itz n ASP 205 Ca 0.00 1.19 0.18 0.00 0.52 0.00 0.00 54.79 56.68 1itz n ASP 205 Cb 0.00 -1.42 0.80 0.00 -0.72 0.00 0.00 41.12 39.78 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 2.48 0.00 0.00 5.18 1.35 -1.54 -2.92 112.91 117.46 1itz h THR 206 Ca -0.44 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1itz h THR 206 Cb 1.30 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1itz h THR 206 CO 0.64 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 174.07 1itz n GLU 207 N -3.02 0.02 0.20 4.72 0.28 -1.26 -0.06 120.64 121.53 1itz n GLU 207 Ca -0.00 0.38 0.09 0.00 -0.16 0.00 0.00 57.16 57.47 1itz n GLU 207 Cb 0.24 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 31.90 1itz n GLU 207 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1itz h ILE 208 N 0.00 0.45 0.00 3.84 2.10 -1.89 -3.40 117.51 118.61 1itz h ILE 208 Ca 0.00 -1.35 0.00 0.00 1.08 0.00 0.00 64.86 64.59 1itz h ILE 208 Cb 0.07 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1itz h ILE 208 CO 0.00 0.22 0.00 0.00 -1.08 0.00 0.00 178.15 177.29 1itz n ALA 209 N -2.18 0.53 -3.45 0.18 0.00 -0.75 -5.07 120.51 109.78 1itz n ALA 209 Ca 0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1itz n ALA 209 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 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 0.04 -0.02 0.00 5.36 0.92 -4.96 117.98 119.32 1itz s PHE 210 Ca 0.00 -0.80 0.03 0.00 -0.96 0.00 0.00 56.93 55.20 1itz s PHE 210 Cb 0.00 -0.68 0.04 0.00 -0.34 0.00 0.00 43.02 42.05 1itz s PHE 210 CO 0.00 -0.88 0.88 0.25 -1.46 0.00 0.00 175.22 174.00 1itz n THR 211 N 4.84 0.74 -0.85 0.12 -2.24 -1.26 -4.21 114.28 111.42 1itz n THR 211 Ca 0.02 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 1itz n THR 211 Cb 0.43 0.54 0.20 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.89 0.07 -0.83 -0.78 -1.05 -1.26 -4.94 118.70 109.02 1itz s GLU 212 Ca 0.05 0.84 -0.15 0.00 -0.15 0.00 0.00 54.97 55.56 1itz s GLU 212 Cb 0.04 -1.67 0.20 0.00 -0.44 0.00 0.00 34.13 32.26 1itz s GLU 212 CO 0.00 -3.06 0.82 0.34 0.95 0.00 0.00 175.26 174.32 1itz s ASP 213 N -2.95 6.71 0.13 0.83 -1.08 -1.26 -4.93 116.67 114.13 1itz s ASP 213 Ca 0.66 -2.52 -0.23 0.00 -0.52 0.00 0.00 52.55 49.94 1itz s ASP 213 Cb -0.22 -2.25 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 1itz s ASP 213 CO 0.61 -0.68 1.65 0.58 0.52 0.00 0.00 175.17 177.84 1itz h VAL 214 N 5.03 0.48 -0.66 1.11 2.07 -2.00 -1.54 116.25 120.74 1itz h VAL 214 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 1itz h VAL 214 Cb 1.04 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1itz h VAL 214 CO 0.83 0.00 0.25 0.28 0.02 0.00 0.00 177.57 178.95 1itz h SER 215 N -0.27 0.24 -0.22 0.57 0.02 -2.00 -0.47 113.55 111.43 1itz h SER 215 Ca 0.10 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1itz h SER 215 Cb 0.41 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1itz h SER 215 CO -0.28 0.13 -0.18 0.74 -1.14 0.00 0.00 176.83 176.10 1itz h THR 216 N 0.42 1.26 -0.37 -2.27 2.02 -1.90 -1.27 112.91 110.81 1itz h THR 216 Ca 0.34 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1itz h THR 216 Cb 0.45 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1itz h THR 216 CO -0.34 0.40 0.20 -0.09 0.37 0.00 0.00 175.52 176.07 1itz h ARG 217 N 0.59 0.51 -0.61 6.66 2.43 -0.16 -1.13 114.38 122.67 1itz h ARG 217 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1itz h ARG 217 Cb 0.63 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1itz h ARG 217 CO 0.04 0.42 0.32 0.74 -1.51 0.00 0.00 179.97 179.98 1itz h PHE 218 N 0.47 0.84 -0.54 2.20 -1.00 -0.72 -0.44 116.94 117.75 1itz h PHE 218 Ca 0.13 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 1itz h PHE 218 Cb 0.05 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 1itz h PHE 218 CO -0.03 0.60 0.05 0.93 -1.61 0.00 0.00 178.31 178.26 1itz h GLU 219 N 0.86 0.88 0.00 1.51 5.08 -0.90 -0.92 114.58 121.08 1itz h GLU 219 Ca 0.22 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1itz h GLU 219 Cb 0.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1itz h GLU 219 CO -0.03 0.84 -0.16 0.00 -1.00 0.00 0.00 179.01 178.66 1itz h ALA 220 N 1.23 1.66 -0.00 3.43 0.00 0.17 -1.61 119.26 124.13 1itz h ALA 220 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itz h ALA 220 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1itz h ALA 220 CO 0.01 0.19 -0.07 1.28 0.00 0.00 0.00 179.25 180.67 1itz n LEU 221 N -4.23 0.48 0.00 0.00 4.77 -0.59 -4.91 117.00 112.52 1itz n LEU 221 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1itz n LEU 221 Cb 0.23 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1itz n LEU 221 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1itz n GLY 222 N 1.22 0.91 3.91 -0.72 0.00 -0.61 -3.99 105.19 105.92 1itz n GLY 222 Ca 0.17 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 3.48 -0.01 1.61 0.52 -0.45 -4.49 118.94 117.60 1itz s TRP 223 Ca 0.00 0.50 -0.18 0.00 0.02 0.00 0.00 56.10 56.43 1itz s TRP 223 Cb 0.00 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 1itz s TRP 223 CO 0.00 0.30 0.51 -1.58 0.02 0.00 0.00 176.95 176.21 1itz s HIS 224 N -1.92 3.69 0.03 -1.98 5.65 -0.23 -4.27 115.29 116.25 1itz s HIS 224 Ca 0.41 1.09 0.08 0.00 0.25 0.00 0.00 55.06 56.89 1itz s HIS 224 Cb -0.11 -2.49 -0.02 0.00 -1.18 0.00 0.00 32.58 28.78 1itz s HIS 224 CO 0.29 0.44 -0.22 0.99 -0.65 0.00 0.00 174.74 175.59 1itz s THR 225 N -0.45 1.77 -0.00 0.89 2.01 -1.26 -0.85 115.64 117.74 1itz s THR 225 Ca 0.27 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1itz s THR 225 Cb -0.17 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1itz s THR 225 CO 0.15 0.30 0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1itz s ILE 226 N -0.73 0.05 -0.14 1.82 1.01 -0.82 -4.97 121.20 117.42 1itz s ILE 226 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1itz s ILE 226 Cb -0.09 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1itz s ILE 226 CO 0.01 -0.23 -0.13 0.86 0.00 0.00 0.00 174.94 175.45 1itz s TRP 227 N -0.72 2.03 -0.47 3.97 -0.00 -1.26 -0.84 118.94 121.66 1itz s TRP 227 Ca -0.08 -1.10 -0.11 0.00 -0.00 0.00 0.00 56.10 54.81 1itz s TRP 227 Cb -0.05 -1.51 0.10 0.00 -0.00 0.00 0.00 33.47 32.01 1itz s TRP 227 CO -0.00 -0.62 0.35 0.08 -0.00 0.00 0.00 176.95 176.76 1itz s VAL 228 N 1.46 4.50 0.37 5.86 1.01 0.33 -4.97 120.40 128.95 1itz s VAL 228 Ca 0.04 -1.53 0.23 0.00 0.00 0.00 0.00 61.98 60.71 1itz s VAL 228 Cb -0.13 -3.85 0.23 0.00 0.00 0.00 0.00 36.38 32.63 1itz s VAL 228 CO -0.09 -0.68 1.98 0.11 0.00 0.00 0.00 175.10 176.41 1itz h LYS 229 N 8.54 0.00 -2.96 2.72 1.57 -1.90 -1.98 116.57 122.57 1itz h LYS 229 Ca -0.24 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.92 1itz h LYS 229 Cb 1.08 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.98 1itz h LYS 229 CO 0.86 0.19 -0.58 -1.71 -0.57 0.00 0.00 179.45 177.64 1itz n ASN 230 N -3.77 3.07 0.00 0.86 5.15 -1.26 -4.52 115.26 114.80 1itz n ASN 230 Ca -0.02 -3.23 0.13 0.00 -0.60 0.00 0.00 54.58 50.86 1itz n ASN 230 Cb 0.30 -0.75 0.63 0.00 -0.53 0.00 0.00 39.78 39.44 1itz n ASN 230 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1itz n GLY 231 N 1.82 -1.16 0.12 8.20 0.00 0.28 -0.50 105.19 113.96 1itz n GLY 231 Ca 0.21 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1itz n GLY 231 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1itz h ASN 232 N 0.00 0.57 0.00 1.61 2.35 -1.88 -3.42 115.58 114.82 1itz h ASN 232 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 1itz h ASN 232 Cb 0.26 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1itz h ASN 232 CO 0.00 1.46 0.00 0.35 -1.65 0.00 0.00 177.43 177.59 1itz n THR 233 N -4.03 0.00 -1.33 2.81 -2.24 -1.24 -4.84 114.28 103.41 1itz n THR 233 Ca -0.14 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.04 1itz n THR 233 Cb 0.88 1.52 -0.04 0.00 -2.10 0.00 0.00 70.33 70.60 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 0.03 4.23 0.27 3.38 0.00 0.34 -4.70 105.19 108.74 1itz n GLY 234 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 4.84 0.56 0.00 1.61 -1.99 -1.91 -1.22 116.97 118.86 1itz h TYR 235 Ca 0.82 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 61.49 1itz h TYR 235 Cb 0.36 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1itz h TYR 235 CO 1.87 0.15 -0.46 -0.44 -0.00 0.00 0.00 178.16 179.27 1itz h ASP 236 N 0.52 0.00 -0.36 3.88 3.32 -1.97 -1.30 116.42 120.50 1itz h ASP 236 Ca 0.37 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.34 1itz h ASP 236 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1itz h ASP 236 CO -0.33 0.46 -0.11 0.44 -1.72 0.00 0.00 179.24 177.98 1itz h ASP 237 N 0.00 0.73 -0.32 6.45 3.32 -1.64 -0.25 116.42 124.71 1itz h ASP 237 Ca -0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1itz h ASP 237 Cb 0.87 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1itz h ASP 237 CO 0.06 0.94 0.20 0.40 -1.72 0.00 0.00 179.24 179.12 1itz h ILE 238 N 0.51 1.09 -0.51 0.35 2.04 -1.09 0.16 117.51 120.06 1itz h ILE 238 Ca 0.09 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1itz h ILE 238 Cb 0.63 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1itz h ILE 238 CO 0.04 0.09 0.29 0.03 0.00 0.00 0.00 178.15 178.61 1itz h ARG 239 N 0.42 0.56 -0.59 2.37 3.08 -1.12 -1.91 114.38 117.20 1itz h ARG 239 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1itz h ARG 239 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1itz h ARG 239 CO -0.02 0.37 0.15 0.00 -1.07 0.00 0.00 179.97 179.40 1itz h ALA 240 N 1.24 0.78 -0.54 0.04 0.00 -0.76 -2.38 119.26 117.63 1itz h ALA 240 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1itz h ALA 240 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1itz h ALA 240 CO -0.11 0.48 0.35 0.00 0.00 0.00 0.00 179.25 179.97 1itz h ALA 241 N 1.04 0.69 -0.72 0.00 0.00 -0.62 -0.62 119.26 119.03 1itz h ALA 241 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1itz h ALA 241 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1itz h ALA 241 CO 0.00 0.15 0.23 0.82 0.00 0.00 0.00 179.25 180.45 1itz h ILE 242 N 0.74 1.26 -0.22 0.00 2.04 -1.25 0.47 117.51 120.54 1itz h ILE 242 Ca 0.20 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1itz h ILE 242 Cb -0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1itz h ILE 242 CO -0.04 0.35 0.13 0.50 0.00 0.00 0.00 178.15 179.09 1itz h LYS 243 N 1.07 0.31 -0.31 2.37 3.64 -0.93 -1.43 116.57 121.29 1itz h LYS 243 Ca 0.24 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1itz h LYS 243 Cb 0.29 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1itz h LYS 243 CO -0.01 0.26 -0.17 1.49 -2.27 0.00 0.00 179.45 178.76 1itz h GLU 244 N 0.27 0.56 -0.82 1.90 4.81 -0.85 -2.81 114.58 117.65 1itz h GLU 244 Ca 0.08 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1itz h GLU 244 Cb 0.04 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1itz h GLU 244 CO -0.01 0.71 0.48 0.00 -0.73 0.00 0.00 179.01 179.46 1itz h ALA 245 N 1.31 1.04 0.00 2.92 0.00 -0.33 -1.89 119.26 122.32 1itz h ALA 245 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1itz h ALA 245 Cb 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1itz h ALA 245 CO 0.04 0.52 0.00 0.87 0.00 0.00 0.00 179.25 180.68 1itz h LYS 246 N 1.13 0.00 -0.18 0.00 1.57 -1.12 -3.03 116.57 114.94 1itz h LYS 246 Ca 0.29 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.88 1itz h LYS 246 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1itz h LYS 246 CO -0.05 0.00 -0.66 0.00 -0.57 0.00 0.00 179.45 178.17 1itz h ALA 247 N 2.02 0.51 -1.40 3.86 0.00 -1.09 -3.40 119.26 119.76 1itz h ALA 247 Ca 0.00 -0.56 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 1itz h ALA 247 Cb 0.65 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1itz h ALA 247 CO 0.00 0.70 1.08 0.08 0.00 0.00 0.00 179.25 181.12 1itz s VAL 248 N -3.87 3.71 -0.91 0.00 1.01 -1.05 -4.88 120.40 114.40 1itz s VAL 248 Ca -0.09 0.44 0.24 0.00 0.00 0.00 0.00 61.98 62.57 1itz s VAL 248 Cb 0.10 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1itz s VAL 248 CO 0.87 -1.71 1.27 0.35 0.00 0.00 0.00 175.10 175.89 1itz n THR 249 N 6.50 0.05 0.73 3.92 -2.24 -1.26 -4.27 114.28 117.70 1itz n THR 249 Ca 0.05 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1itz n THR 249 Cb 0.49 0.33 0.09 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.62 2.60 -3.94 3.42 5.75 -1.26 -3.85 116.55 117.66 1itz n ASP 250 Ca 0.05 -1.79 -0.12 0.00 -0.01 0.00 0.00 54.79 52.92 1itz n ASP 250 Cb 0.36 -0.02 -0.13 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.53 0.22 0.65 0.11 1.02 -1.26 -4.37 119.74 114.58 1itz s LYS 251 Ca 0.23 -0.31 -0.16 0.00 0.02 0.00 0.00 55.97 55.75 1itz s LYS 251 Cb 0.16 -0.06 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1itz s LYS 251 CO 0.24 0.01 1.13 -1.25 -0.92 0.00 0.00 175.35 174.55 1itz s PRO 252 N -0.68 2.79 -0.03 -1.68 0.04 -1.09 -4.14 135.00 130.21 1itz s PRO 252 Ca -0.06 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1itz s PRO 252 Cb -0.05 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1itz s PRO 252 CO -0.00 -1.27 -0.21 0.99 0.04 0.00 0.00 177.00 176.54 1itz s THR 253 N -2.18 2.47 -0.21 1.26 2.01 -0.69 -1.07 115.64 117.23 1itz s THR 253 Ca 0.69 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1itz s THR 253 Cb -0.22 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1itz s THR 253 CO 0.40 0.58 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.59 1itz s LEU 254 N -0.64 2.66 -0.37 4.42 2.96 -0.03 -0.99 118.68 126.69 1itz s LEU 254 Ca 0.10 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 1itz s LEU 254 Cb -0.10 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1itz s LEU 254 CO -0.00 -0.02 0.19 -0.63 -1.32 0.00 0.00 176.35 174.57 1itz s ILE 255 N 1.40 4.34 -0.34 6.68 1.01 0.97 -1.95 121.20 133.31 1itz s ILE 255 Ca 0.05 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 1itz s ILE 255 Cb -0.14 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1itz s ILE 255 CO -0.07 -0.27 1.01 -0.75 0.00 0.00 0.00 174.94 174.86 1itz s LYS 256 N 1.50 3.97 -0.30 2.79 2.20 -0.02 -0.61 119.74 129.27 1itz s LYS 256 Ca 0.01 0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1itz s LYS 256 Cb -0.20 -3.77 0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1itz s LYS 256 CO 0.05 -0.93 0.02 0.08 -0.36 0.00 0.00 175.35 174.21 1itz s VAL 257 N 3.60 3.24 -0.18 4.02 1.01 -0.18 -0.51 120.40 131.39 1itz s VAL 257 Ca 0.42 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1itz s VAL 257 Cb -0.12 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1itz s VAL 257 CO 0.17 -0.06 1.04 -0.89 0.00 0.00 0.00 175.10 175.36 1itz s THR 258 N 1.32 4.69 0.31 3.92 2.01 -0.74 -1.10 115.64 126.05 1itz s THR 258 Ca -0.03 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.00 1itz s THR 258 Cb -0.19 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1itz s THR 258 CO -0.00 -0.11 0.14 0.42 -0.69 0.00 0.00 174.62 174.37 1itz s THR 259 N 2.80 0.47 -0.19 -0.82 -4.23 -1.03 -0.56 115.64 112.09 1itz s THR 259 Ca 0.46 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1itz s THR 259 Cb -0.17 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1itz s THR 259 CO 0.11 0.00 -0.15 0.42 -0.54 0.00 0.00 174.62 174.46 1itz s THR 260 N -3.56 2.52 0.40 3.99 -4.23 -1.26 -4.21 115.64 109.29 1itz s THR 260 Ca 0.35 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.80 1itz s THR 260 Cb 0.05 -2.09 -0.10 0.00 1.34 0.00 0.00 72.50 71.70 1itz s THR 260 CO 0.16 0.50 1.42 0.00 -0.54 0.00 0.00 174.62 176.16 1itz n ILE 261 N 4.63 2.34 -1.38 2.99 3.06 -1.26 -1.83 119.36 127.90 1itz n ILE 261 Ca -0.20 -0.50 -0.13 0.00 -2.50 0.00 0.00 62.75 59.42 1itz n ILE 261 Cb 0.50 -1.84 -0.05 0.00 0.54 0.00 0.00 39.64 38.79 1itz n ILE 261 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1itz n GLY 262 N 0.57 1.33 3.65 4.50 0.00 -0.80 -0.47 105.19 113.98 1itz n GLY 262 Ca 0.04 -0.44 -0.54 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.66 1.85 0.00 1.61 7.35 -0.76 -1.50 117.46 123.35 1itz n PHE 263 Ca -0.13 0.52 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1itz n PHE 263 Cb 0.42 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.83 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 3.41 1.29 3.63 7.13 0.00 -1.26 -4.74 105.19 114.65 1itz n GLY 264 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.77 6.85 0.41 1.61 0.15 -0.56 -4.64 113.70 116.74 1itz s SER 265 Ca 0.00 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.61 1itz s SER 265 Cb 0.00 -2.53 0.86 0.00 -1.71 0.00 0.00 66.02 62.63 1itz s SER 265 CO 0.00 -0.95 2.05 1.55 1.20 0.00 0.00 173.24 177.10 1itz h PRO 266 N 8.35 0.55 -0.00 5.44 0.13 -1.89 -2.84 132.00 141.74 1itz h PRO 266 Ca -0.21 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1itz h PRO 266 Cb 1.06 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1itz h PRO 266 CO 1.04 0.36 -0.40 0.09 -0.23 0.00 0.00 178.00 178.87 1itz n ASN 267 N -4.47 0.44 -0.04 1.44 4.13 -1.26 -4.72 115.26 110.77 1itz n ASN 267 Ca 0.04 -0.72 0.01 0.00 1.68 0.00 0.00 54.58 55.59 1itz n ASN 267 Cb 0.07 0.98 -0.01 0.00 -1.54 0.00 0.00 39.78 39.28 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 -1.16 3.92 -1.51 3.52 5.02 -1.23 -5.01 118.16 121.70 1itz n LYS 268 Ca 0.02 -0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 1itz n LYS 268 Cb 0.14 -0.77 0.09 0.00 -0.02 0.00 0.00 35.03 34.46 1itz n LYS 268 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itz s ALA 269 N -0.93 2.18 -1.66 7.82 0.00 -1.07 -3.06 121.76 125.03 1itz s ALA 269 Ca 0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1itz s ALA 269 Cb 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1itz s ALA 269 CO 0.09 -1.81 0.00 -1.71 0.00 0.00 0.00 175.76 172.33 1itz n ASN 270 N -2.52 -5.48 -4.20 0.00 4.05 0.39 -4.97 115.26 102.52 1itz n ASN 270 Ca 0.14 0.06 -0.12 0.00 0.45 0.00 0.00 54.58 55.11 1itz n ASN 270 Cb 0.50 -4.60 -0.10 0.00 1.23 0.00 0.00 39.78 36.81 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 -2.08 0.58 0.34 1.20 1.04 -1.17 -5.02 113.70 108.59 1itz s SER 271 Ca 0.00 -1.26 0.26 0.00 0.48 0.00 0.00 55.95 55.43 1itz s SER 271 Cb 0.00 0.26 0.85 0.00 0.10 0.00 0.00 66.02 67.23 1itz s SER 271 CO 0.00 -0.72 1.76 0.10 0.98 0.00 0.00 173.24 175.36 1itz h TYR 272 N 2.72 0.00 0.00 5.02 -0.00 -1.87 -3.21 116.97 119.63 1itz h TYR 272 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.35 1itz h TYR 272 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.94 1itz h TYR 272 CO 0.44 0.00 -0.10 0.66 -0.00 0.00 0.00 178.16 179.16 1itz h SER 273 N 0.00 0.00 -0.04 0.10 4.64 -1.95 -2.38 113.55 113.92 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 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1itz h SER 273 CO 0.00 0.10 0.00 0.55 -0.87 0.00 0.00 176.83 176.61 1itz n VAL 274 N -3.68 0.02 0.10 0.95 3.14 -1.21 -4.30 118.33 113.35 1itz n VAL 274 Ca -0.02 -0.35 -0.13 0.00 -2.96 0.00 0.00 64.34 60.88 1itz n VAL 274 Cb 0.22 0.83 -0.08 0.00 -1.06 0.00 0.00 33.84 33.74 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 3.17 -0.23 -0.64 1.45 6.17 -1.60 0.11 115.15 123.58 1itz h HIS 275 Ca 0.00 -0.01 -0.29 0.00 0.71 0.00 0.00 60.37 60.79 1itz h HIS 275 Cb 0.67 0.08 -0.40 0.00 2.52 0.00 0.00 27.41 30.28 1itz h HIS 275 CO 0.01 0.09 -1.14 0.41 0.71 0.00 0.00 177.93 178.01 1itz n GLY 276 N -0.33 1.77 3.37 5.26 0.00 -1.26 -4.05 105.19 109.95 1itz n GLY 276 Ca -0.09 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.56 -0.38 0.52 1.61 1.04 -1.02 -4.57 113.70 107.33 1itz s SER 277 Ca 0.27 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.62 1itz s SER 277 Cb 0.37 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.88 1itz s SER 277 CO -0.01 -0.69 1.09 0.00 0.98 0.00 0.00 173.24 174.61 1itz n ALA 278 N 0.49 0.61 -0.19 5.32 0.00 -1.26 -4.62 120.51 120.86 1itz n ALA 278 Ca -0.18 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1itz n ALA 278 Cb 0.60 -2.17 0.15 0.00 0.00 0.00 0.00 19.45 18.03 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 1.17 0.89 0.00 0.00 4.07 -1.93 -3.49 115.31 116.03 1itz h LEU 279 Ca -0.48 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1itz h LEU 279 Cb 1.34 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1itz h LEU 279 CO 0.55 0.84 0.00 0.61 -1.08 0.00 0.00 178.44 179.35 1itz n GLY 280 N -0.88 1.81 0.38 0.83 0.00 -1.26 -4.44 105.19 101.63 1itz n GLY 280 Ca 0.05 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.39 -0.32 4.61 0.00 -1.99 -1.10 119.26 120.07 1itz h ALA 281 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1itz h ALA 281 Cb 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1itz h ALA 281 CO 0.00 -0.84 0.08 -0.22 0.00 0.00 0.00 179.25 178.26 1itz h LYS 282 N -0.32 0.19 0.00 0.00 3.64 -2.00 -2.09 116.57 115.98 1itz h LYS 282 Ca 0.14 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1itz h LYS 282 Cb 0.58 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1itz h LYS 282 CO -0.55 0.13 -0.47 1.49 -2.27 0.00 0.00 179.45 177.77 1itz h GLU 283 N 0.19 0.00 -0.26 1.90 4.57 -1.72 -1.62 114.58 117.65 1itz h GLU 283 Ca 0.15 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1itz h GLU 283 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1itz h GLU 283 CO -0.19 0.47 0.04 0.28 -1.18 0.00 0.00 179.01 178.44 1itz h VAL 284 N 0.00 1.23 -0.19 0.32 2.07 -0.81 0.27 116.25 119.13 1itz h VAL 284 Ca -0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1itz h VAL 284 Cb 0.92 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1itz h VAL 284 CO 0.06 0.25 0.13 -0.08 0.02 0.00 0.00 177.57 177.94 1itz h GLU 285 N 0.24 0.25 -0.43 1.57 4.81 -1.22 0.13 114.58 119.95 1itz h GLU 285 Ca 0.08 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1itz h GLU 285 Cb 0.33 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1itz h GLU 285 CO 0.00 0.18 0.20 0.00 -0.73 0.00 0.00 179.01 178.66 1itz h ALA 286 N 1.06 1.55 -0.04 2.92 0.00 -1.09 -1.55 119.26 122.11 1itz h ALA 286 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1itz h ALA 286 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1itz h ALA 286 CO -0.01 0.36 -0.73 1.15 0.00 0.00 0.00 179.25 180.02 1itz h THR 287 N 0.59 1.43 -0.39 0.00 2.02 0.25 -1.33 112.91 115.49 1itz h THR 287 Ca 0.15 -2.25 -0.14 0.00 0.77 0.00 0.00 66.41 64.94 1itz h THR 287 Cb 0.07 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1itz h THR 287 CO -0.02 0.66 -0.30 0.03 0.37 0.00 0.00 175.52 176.26 1itz h ARG 288 N 0.16 0.89 -0.30 6.66 3.08 -0.06 -2.43 114.38 122.38 1itz h ARG 288 Ca -0.02 -0.44 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 1itz h ARG 288 Cb 1.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1itz h ARG 288 CO 0.11 1.09 0.03 1.96 -1.07 0.00 0.00 179.97 182.10 1itz h GLN 289 N 0.71 0.50 -0.93 0.04 4.20 -1.24 0.26 115.11 118.65 1itz h GLN 289 Ca 0.07 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1itz h GLN 289 Cb 0.88 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 1itz h GLN 289 CO 0.08 0.62 0.61 -0.97 -0.67 0.00 0.00 178.83 178.50 1itz h ASN 290 N 0.31 1.00 0.57 1.46 -1.24 -1.18 -2.04 115.58 114.47 1itz h ASN 290 Ca 0.09 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1itz h ASN 290 Cb 0.37 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1itz h ASN 290 CO 0.01 0.68 -0.72 0.18 -1.29 0.00 0.00 177.43 176.29 1itz n LEU 291 N -4.45 0.62 -1.47 0.34 7.99 -0.92 -4.97 117.00 114.13 1itz n LEU 291 Ca 0.13 0.04 -0.03 0.00 -0.01 0.00 0.00 56.01 56.14 1itz n LEU 291 Cb 0.11 -0.17 0.02 0.00 -0.11 0.00 0.00 43.42 43.27 1itz n LEU 291 CO 0.35 0.05 0.02 0.61 -1.51 0.00 0.00 177.39 176.91 1itz n GLY 292 N 1.41 0.29 3.14 -0.72 0.00 0.25 -5.01 105.19 104.54 1itz n GLY 292 Ca 0.04 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.07 3.49 0.08 1.61 -0.11 0.67 -4.92 118.94 116.69 1itz s TRP 293 Ca 0.00 -2.61 -0.18 0.00 1.22 0.00 0.00 56.10 54.53 1itz s TRP 293 Cb -0.00 -3.31 -0.10 0.00 -1.50 0.00 0.00 33.47 28.56 1itz s TRP 293 CO 0.14 -0.86 1.44 -1.00 -4.62 0.00 0.00 176.95 172.05 1itz h PRO 294 N 7.08 0.52 -5.29 5.86 0.13 -1.95 -3.44 132.00 134.91 1itz h PRO 294 Ca 0.02 -0.23 -0.53 0.00 -0.87 0.00 0.00 66.00 64.39 1itz h PRO 294 Cb 0.96 -0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.24 1itz h PRO 294 CO 0.72 0.78 -1.05 0.66 -0.23 0.00 0.00 178.00 178.89 1itz n TYR 295 N -4.48 -2.64 -2.77 1.56 4.02 -1.26 -4.98 117.16 106.61 1itz n TYR 295 Ca -0.04 0.38 -0.06 0.00 -0.01 0.00 0.00 57.90 58.17 1itz n TYR 295 Cb 0.35 -1.48 0.02 0.00 -0.02 0.00 0.00 39.34 38.22 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 2.25 0.52 -4.34 7.72 5.75 -1.26 -4.98 116.55 122.21 1itz n ASP 296 Ca 0.07 -1.40 -0.61 0.00 -0.01 0.00 0.00 54.79 52.84 1itz n ASP 296 Cb 0.42 -0.14 -0.09 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.52 0.00 -3.51 2.12 -1.04 -1.26 -2.31 114.28 106.76 1itz n THR 297 Ca 0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.80 1itz n THR 297 Cb 0.17 -0.34 0.04 0.00 -1.82 0.00 0.00 70.33 68.38 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 3.09 -2.27 -3.68 -1.42 3.01 -1.26 -4.97 117.46 109.96 1itz n PHE 298 Ca 0.26 0.76 -0.37 0.00 1.01 0.00 0.00 57.45 59.11 1itz n PHE 298 Cb -0.02 -4.19 -0.07 0.00 -0.01 0.00 0.00 39.48 35.19 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 -3.21 3.54 -0.28 1.38 5.36 -0.98 -5.07 117.98 118.73 1itz s PHE 299 Ca 0.51 0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 57.06 1itz s PHE 299 Cb -0.24 -2.17 0.05 0.00 -0.34 0.00 0.00 43.02 40.31 1itz s PHE 299 CO 0.63 0.47 -0.05 0.08 -1.46 0.00 0.00 175.22 174.89 1itz s VAL 300 N -0.27 2.73 0.29 3.12 1.01 -1.26 -4.94 120.40 121.08 1itz s VAL 300 Ca 0.15 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1itz s VAL 300 Cb -0.13 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.59 1itz s VAL 300 CO 0.04 -0.00 1.24 -2.65 0.00 0.00 0.00 175.10 173.73 1itz n PRO 301 N 4.58 1.83 -0.30 2.72 -0.02 -1.26 -4.74 135.00 137.81 1itz n PRO 301 Ca -0.14 0.65 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1itz n PRO 301 Cb 0.44 -2.19 0.35 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 2.92 0.73 0.00 -0.52 4.39 -1.98 -0.45 114.58 119.67 1itz h GLU 302 Ca -0.44 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 1itz h GLU 302 Cb 1.30 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1itz h GLU 302 CO 0.66 0.48 -0.36 0.38 -1.16 0.00 0.00 179.01 179.01 1itz h ASP 303 N 0.75 0.00 0.00 1.42 -0.00 -1.99 -0.07 116.42 116.53 1itz h ASP 303 Ca 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 57.46 1itz h ASP 303 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 1itz h ASP 303 CO -0.24 0.36 -0.22 0.58 -0.00 0.00 0.00 179.24 179.72 1itz h VAL 304 N 0.00 1.57 -0.66 4.15 2.07 -1.49 -2.40 116.25 119.50 1itz h VAL 304 Ca -0.00 -1.98 0.08 0.00 0.82 0.00 0.00 66.70 65.61 1itz h VAL 304 Cb 0.81 2.84 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 1itz h VAL 304 CO 0.05 0.54 0.33 0.50 0.02 0.00 0.00 177.57 179.00 1itz h LYS 305 N -0.57 0.57 -0.48 1.57 3.64 -1.08 -0.84 116.57 119.38 1itz h LYS 305 Ca -0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1itz h LYS 305 Cb 1.00 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1itz h LYS 305 CO 0.04 0.38 0.18 1.03 -2.27 0.00 0.00 179.45 178.81 1itz h SER 306 N 0.59 0.67 -0.40 4.20 0.87 -1.06 -1.47 113.55 116.94 1itz h SER 306 Ca 0.31 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1itz h SER 306 Cb 0.28 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1itz h SER 306 CO -0.23 0.67 0.25 -0.74 -0.53 0.00 0.00 176.83 176.25 1itz h HIS 307 N 0.63 0.51 0.00 2.24 -0.00 -0.78 -2.86 115.15 114.88 1itz h HIS 307 Ca 0.16 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1itz h HIS 307 Cb 0.22 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1itz h HIS 307 CO 0.01 0.34 -0.11 -1.49 -0.00 0.00 0.00 177.93 176.68 1itz h TRP 308 N 0.53 0.00 0.00 5.26 4.06 -1.02 -3.22 115.95 121.56 1itz h TRP 308 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1itz h TRP 308 Cb -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1itz h TRP 308 CO -0.04 0.11 0.00 0.66 -3.56 0.00 0.00 178.44 175.60 1itz h SER 309 N 0.00 0.00 0.50 -3.49 4.64 -1.02 -2.44 113.55 111.73 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 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1itz h SER 309 CO 0.01 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.05 1itz h ARG 310 N 0.00 0.00 0.00 4.77 0.11 -1.68 -2.81 114.38 114.77 1itz h ARG 310 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1itz h ARG 310 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1itz h ARG 310 CO 0.00 0.00 -0.17 0.45 0.10 0.00 0.00 179.97 180.35 1itz h HIS 311 N 0.00 0.00 0.57 4.08 3.86 -1.70 -1.60 115.15 120.36 1itz h HIS 311 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1itz h HIS 311 Cb 0.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.73 1itz h HIS 311 CO 0.00 0.17 -0.27 1.15 0.86 0.00 0.00 177.93 179.84 1itz h THR 312 N 0.00 0.27 -0.16 2.45 2.02 -1.74 0.56 112.91 116.31 1itz h THR 312 Ca -0.00 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 1itz h THR 312 Cb 0.36 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1itz h THR 312 CO 0.02 0.04 -0.36 1.55 0.37 0.00 0.00 175.52 177.14 1itz h PRO 313 N -1.05 0.33 -0.29 6.66 0.13 -1.73 -1.29 132.00 134.76 1itz h PRO 313 Ca -0.08 -0.14 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1itz h PRO 313 Cb 0.65 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1itz h PRO 313 CO 0.13 0.65 -0.51 0.93 -0.23 0.00 0.00 178.00 178.96 1itz h GLU 314 N 0.28 0.82 -0.76 0.86 5.08 -1.30 -2.11 114.58 117.45 1itz h GLU 314 Ca 0.03 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1itz h GLU 314 Cb 0.76 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1itz h GLU 314 CO 0.06 1.13 0.35 0.78 -1.00 0.00 0.00 179.01 180.33 1itz h GLY 315 N 0.79 1.19 1.01 -3.84 0.00 0.33 -0.17 103.07 102.38 1itz h GLY 315 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1itz h GLY 315 CO 0.11 0.57 0.41 0.00 0.00 0.00 0.00 176.54 177.63 1itz h ALA 316 N 1.18 0.95 -0.51 3.60 0.00 -1.09 -1.87 119.26 121.52 1itz h ALA 316 Ca 0.26 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1itz h ALA 316 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1itz h ALA 316 CO -0.03 0.46 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 1itz h ALA 317 N 1.21 0.70 -0.56 0.00 0.00 -1.01 -0.09 119.26 119.50 1itz h ALA 317 Ca 0.26 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1itz h ALA 317 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1itz h ALA 317 CO -0.04 0.63 0.34 -0.07 0.00 0.00 0.00 179.25 180.11 1itz h LEU 318 N 0.85 0.55 -0.56 0.00 3.38 -0.65 0.31 115.31 119.19 1itz h LEU 318 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1itz h LEU 318 Cb 0.71 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1itz h LEU 318 CO 0.05 0.38 -0.45 -0.08 0.09 0.00 0.00 178.44 178.44 1itz h GLU 319 N 0.67 0.64 -0.54 1.13 4.81 -1.18 -2.40 114.58 117.71 1itz h GLU 319 Ca 0.23 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1itz h GLU 319 Cb 0.03 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1itz h GLU 319 CO -0.10 0.96 0.36 0.00 -0.73 0.00 0.00 179.01 179.50 1itz h ALA 320 N 0.98 0.69 0.11 2.92 0.00 -0.49 0.12 119.26 123.59 1itz h ALA 320 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1itz h ALA 320 Cb 0.98 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1itz h ALA 320 CO 0.09 0.12 -0.21 0.22 0.00 0.00 0.00 179.25 179.47 1itz h ASP 321 N 0.73 -0.60 -0.99 0.00 1.82 -0.84 -1.25 116.42 115.30 1itz h ASP 321 Ca 0.20 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1itz h ASP 321 Cb -0.08 0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.11 1itz h ASP 321 CO -0.05 -0.30 0.65 -0.25 -1.61 0.00 0.00 179.24 177.68 1itz h TRP 322 N -0.40 1.25 -0.77 0.28 7.01 -0.95 -2.22 115.95 120.15 1itz h TRP 322 Ca 0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1itz h TRP 322 Cb 0.42 -0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1itz h TRP 322 CO -0.20 0.79 0.41 -0.91 -2.79 0.00 0.00 178.44 175.74 1itz h ASN 323 N 1.34 0.96 -0.46 2.65 2.35 -0.28 0.38 115.58 122.52 1itz h ASN 323 Ca 0.36 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1itz h ASN 323 Cb -0.14 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 37.96 1itz h ASN 323 CO -0.08 0.79 0.30 0.00 -1.65 0.00 0.00 177.43 176.79 1itz h ALA 324 N 1.21 0.58 -0.67 -0.83 0.00 -0.81 0.33 119.26 119.07 1itz h ALA 324 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1itz h ALA 324 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1itz h ALA 324 CO -0.04 0.02 0.43 -0.22 0.00 0.00 0.00 179.25 179.43 1itz h LYS 325 N 0.61 0.82 -0.42 0.00 3.64 -0.81 -1.28 116.57 119.14 1itz h LYS 325 Ca 0.17 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1itz h LYS 325 Cb -0.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1itz h LYS 325 CO -0.04 0.54 -0.22 0.35 -2.27 0.00 0.00 179.45 177.81 1itz h PHE 326 N 0.85 0.95 -0.89 1.91 3.57 -0.54 -1.10 116.94 121.67 1itz h PHE 326 Ca 0.26 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1itz h PHE 326 Cb -0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1itz h PHE 326 CO -0.04 0.97 0.58 0.00 -2.23 0.00 0.00 178.31 177.59 1itz h ALA 327 N 1.02 1.14 0.00 2.41 0.00 -0.30 0.18 119.26 123.72 1itz h ALA 327 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1itz h ALA 327 Cb 0.75 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1itz h ALA 327 CO 0.06 0.55 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1itz h GLU 328 N 1.22 0.00 0.23 0.00 4.81 -0.94 -2.97 114.58 116.93 1itz h GLU 328 Ca 0.33 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.22 1itz h GLU 328 Cb -0.12 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.29 1itz h GLU 328 CO -0.07 0.00 -1.51 -0.92 -0.73 0.00 0.00 179.01 175.79 1itz h TYR 329 N 0.00 0.90 -0.70 0.92 5.03 0.14 -3.25 116.97 120.02 1itz h TYR 329 Ca 0.00 -0.65 -0.03 0.00 2.58 0.00 0.00 58.73 60.63 1itz h TYR 329 Cb 0.68 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.89 1itz h TYR 329 CO 0.00 1.55 0.33 1.49 -1.32 0.00 0.00 178.16 180.21 1itz h GLU 330 N 0.13 0.99 0.01 1.82 4.81 -0.56 0.38 114.58 122.17 1itz h GLU 330 Ca -0.26 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 58.61 1itz h GLU 330 Cb 2.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 31.34 1itz h GLU 330 CO 0.26 0.77 -0.94 1.57 -0.73 0.00 0.00 179.01 179.94 1itz h LYS 331 N 0.99 0.31 0.01 1.92 2.10 -1.66 -2.66 116.57 117.58 1itz h LYS 331 Ca 0.24 -0.35 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1itz h LYS 331 Cb 0.11 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1itz h LYS 331 CO -0.03 1.05 -0.14 0.87 -2.00 0.00 0.00 179.45 179.21 1itz h LYS 332 N 0.17 0.07 -2.29 0.07 1.57 -1.55 -3.39 116.57 111.21 1itz h LYS 332 Ca -0.07 -0.09 -0.64 0.00 -1.87 0.00 0.00 60.65 57.98 1itz h LYS 332 Cb 1.58 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.53 1itz h LYS 332 CO 0.15 0.94 -0.27 0.66 -0.57 0.00 0.00 179.45 180.36 1itz n TYR 333 N -4.57 3.72 -0.31 -1.35 4.01 0.11 -4.92 117.16 113.84 1itz n TYR 333 Ca -0.10 -3.70 0.14 0.00 -0.16 0.00 0.00 57.90 54.08 1itz n TYR 333 Cb 0.49 -0.66 0.37 0.00 -0.31 0.00 0.00 39.34 39.23 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 3.43 1.83 0.02 -0.72 0.00 -1.65 -0.70 119.26 121.46 1itz h ALA 334 Ca 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1itz h ALA 334 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1itz h ALA 334 CO 0.91 -0.14 -0.01 -0.44 0.00 0.00 0.00 179.25 179.57 1itz h ASP 335 N 0.69 -0.02 -0.73 0.00 5.19 -1.91 -1.47 116.42 118.17 1itz h ASP 335 Ca 0.52 -0.47 0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1itz h ASP 335 Cb 0.89 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 1itz h ASP 335 CO -0.28 0.47 0.48 0.44 -3.12 0.00 0.00 179.24 177.23 1itz h ASP 336 N -0.52 0.83 -0.48 6.45 3.45 -1.91 -2.12 116.42 122.12 1itz h ASP 336 Ca -0.00 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 1itz h ASP 336 Cb 0.49 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1itz h ASP 336 CO 0.00 0.60 0.20 0.00 -1.57 0.00 0.00 179.24 178.48 1itz h ALA 337 N 1.55 0.63 -0.79 3.45 0.00 -1.06 0.94 119.26 123.97 1itz h ALA 337 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1itz h ALA 337 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1itz h ALA 337 CO -0.06 0.22 0.39 0.00 0.00 0.00 0.00 179.25 179.80 1itz h ALA 338 N 1.05 1.19 -0.10 0.00 0.00 -0.72 0.73 119.26 121.41 1itz h ALA 338 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1itz h ALA 338 Cb 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1itz h ALA 338 CO -0.02 0.62 -0.06 1.15 0.00 0.00 0.00 179.25 180.95 1itz h THR 339 N 1.12 1.33 -0.95 0.00 2.02 -1.01 -2.84 112.91 112.58 1itz h THR 339 Ca 0.27 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1itz h THR 339 Cb 0.10 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1itz h THR 339 CO -0.04 0.31 0.59 0.25 0.37 0.00 0.00 175.52 177.00 1itz h LEU 340 N -0.16 1.13 -1.62 2.58 5.85 -0.63 -2.20 115.31 120.26 1itz h LEU 340 Ca 0.02 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1itz h LEU 340 Cb 0.52 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1itz h LEU 340 CO 0.02 0.86 0.36 0.11 -0.34 0.00 0.00 178.44 179.44 1itz h LYS 341 N 1.31 0.45 -0.70 1.25 1.57 -0.74 -1.13 116.57 118.58 1itz h LYS 341 Ca 0.34 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1itz h LYS 341 Cb -0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1itz h LYS 341 CO -0.07 0.30 0.30 1.03 -0.57 0.00 0.00 179.45 180.44 1itz h SER 342 N 0.47 0.93 -0.12 0.86 0.87 -1.15 0.61 113.55 116.01 1itz h SER 342 Ca 0.23 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1itz h SER 342 Cb 0.32 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1itz h SER 342 CO -0.06 0.81 -0.58 0.40 -0.53 0.00 0.00 176.83 176.87 1itz h ILE 343 N 1.00 1.34 -0.43 2.23 2.04 -1.29 -0.94 117.51 121.47 1itz h ILE 343 Ca 0.24 -1.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1itz h ILE 343 Cb 0.16 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1itz h ILE 343 CO -0.02 0.57 0.02 0.40 0.00 0.00 0.00 178.15 179.11 1itz h ILE 344 N 0.25 1.26 0.00 -0.67 2.04 -1.00 0.25 117.51 119.63 1itz h ILE 344 Ca -0.04 -1.00 -0.20 0.00 1.00 0.00 0.00 64.86 64.63 1itz h ILE 344 Cb 1.22 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1itz h ILE 344 CO 0.12 0.34 -1.40 0.71 0.00 0.00 0.00 178.15 177.92 1itz h THR 345 N 0.58 0.68 0.00 -0.27 1.35 -0.97 -3.41 112.91 110.88 1itz h THR 345 Ca 0.12 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1itz h THR 345 Cb 0.46 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1itz h THR 345 CO 0.02 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1itz n GLY 346 N 1.42 0.75 3.63 5.82 0.00 -0.36 -4.74 105.19 111.72 1itz n GLY 346 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.64 4.01 0.25 1.61 2.12 -1.21 -4.73 118.70 120.11 1itz s GLU 347 Ca 0.00 1.01 -0.29 0.00 0.36 0.00 0.00 54.97 56.04 1itz s GLU 347 Cb 0.00 -3.76 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 1itz s GLU 347 CO 0.00 -0.98 0.94 -0.51 -0.54 0.00 0.00 175.26 174.18 1itz s LEU 348 N 3.79 4.60 0.28 2.70 1.02 -1.26 -4.59 118.68 125.22 1itz s LEU 348 Ca 0.46 1.94 -0.29 0.00 0.02 0.00 0.00 54.13 56.26 1itz s LEU 348 Cb -0.12 -3.67 -0.14 0.00 0.02 0.00 0.00 46.19 42.29 1itz s LEU 348 CO 0.18 0.12 1.14 -2.65 0.02 0.00 0.00 176.35 175.16 1itz n PRO 349 N 1.35 1.59 -1.77 1.29 -0.02 -1.26 -4.89 135.00 131.28 1itz n PRO 349 Ca -0.01 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 1itz n PRO 349 Cb 0.47 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1itz n PRO 349 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1itz n THR 350 N 0.64 1.68 -1.05 3.45 -1.04 -1.26 -2.72 114.28 113.97 1itz n THR 350 Ca 0.09 -0.42 -0.02 0.00 -2.04 0.00 0.00 64.05 61.67 1itz n THR 350 Cb 0.32 -1.98 -0.01 0.00 -1.82 0.00 0.00 70.33 66.84 1itz n THR 350 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1itz n GLY 351 N 1.01 0.53 0.23 3.41 0.00 -1.26 -4.91 105.19 104.20 1itz n GLY 351 Ca 0.04 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.00 1.61 5.08 -1.85 -1.77 115.95 119.02 1itz h TRP 352 Ca -0.04 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.90 1itz h TRP 352 Cb 0.22 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1itz h TRP 352 CO 0.11 0.16 -0.14 0.28 -1.28 0.00 0.00 178.44 177.57 1itz h VAL 353 N 0.00 1.10 0.00 0.12 2.07 -1.91 -2.36 116.25 115.28 1itz h VAL 353 Ca -0.00 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1itz h VAL 353 Cb 0.31 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1itz h VAL 353 CO 0.02 0.14 -0.06 0.44 0.02 0.00 0.00 177.57 178.13 1itz h ASP 354 N 0.00 0.00 0.74 0.57 3.32 -1.72 -2.85 116.42 116.48 1itz h ASP 354 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1itz h ASP 354 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1itz h ASP 354 CO 0.02 0.06 -0.09 0.00 -1.72 0.00 0.00 179.24 177.51 1itz h ALA 355 N 1.94 1.07 -2.77 3.45 0.00 -1.53 -3.45 119.26 117.97 1itz h ALA 355 Ca -0.00 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 1itz h ALA 355 Cb 0.38 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.21 1itz h ALA 355 CO 0.01 0.12 0.69 -0.51 0.00 0.00 0.00 179.25 179.56 1itz s LEU 356 N -6.61 4.41 0.91 0.00 1.43 -1.08 -4.80 118.68 112.94 1itz s LEU 356 Ca -0.01 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1itz s LEU 356 Cb 0.11 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.83 1itz s LEU 356 CO 0.57 -0.59 1.06 -2.65 0.23 0.00 0.00 176.35 174.97 1itz n PRO 357 N 1.97 -0.35 -3.93 1.29 -0.02 -1.26 -5.06 135.00 127.64 1itz n PRO 357 Ca 0.05 -0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1itz n PRO 357 Cb 0.41 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 1itz n PRO 357 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1itz s LYS 358 N -4.43 0.10 0.24 -0.52 2.20 -1.26 -4.87 119.74 111.20 1itz s LYS 358 Ca 0.67 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 1itz s LYS 358 Cb -0.24 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 35.97 1itz s LYS 358 CO 0.58 0.01 0.05 0.71 -0.36 0.00 0.00 175.35 176.34 1itz s TYR 359 N -0.17 1.52 0.18 4.03 1.51 -1.26 -5.02 117.35 118.14 1itz s TYR 359 Ca -0.01 -1.05 0.03 0.00 -1.01 0.00 0.00 57.07 55.02 1itz s TYR 359 Cb -0.01 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1itz s TYR 359 CO -0.00 -0.19 -0.02 0.95 -1.11 0.00 0.00 175.55 175.17 1itz s THR 360 N -3.60 0.85 -1.57 -0.71 -4.23 -1.26 -4.86 115.64 100.27 1itz s THR 360 Ca 0.32 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1itz s THR 360 Cb 0.07 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.86 1itz s THR 360 CO 0.11 -0.52 0.79 -0.81 -0.54 0.00 0.00 174.62 173.64 1itz n PRO 361 N -0.26 0.03 0.02 3.99 -0.04 -1.26 -0.70 135.00 136.78 1itz n PRO 361 Ca -0.07 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1itz n PRO 361 Cb 0.63 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.22 0.19 -2.00 0.54 4.71 -1.26 -4.78 120.64 116.82 1itz n GLU 362 Ca 0.01 -0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.81 1itz n GLU 362 Cb 0.01 -1.56 0.03 0.00 -1.01 0.00 0.00 31.44 28.91 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 -3.60 5.25 0.43 1.62 0.01 0.12 -4.95 113.70 112.58 1itz s SER 363 Ca 0.06 2.28 -0.24 0.00 1.31 0.00 0.00 55.95 59.35 1itz s SER 363 Cb 0.15 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1itz s SER 363 CO 0.79 -1.55 1.20 -2.16 0.41 0.00 0.00 173.24 171.93 1itz s PRO 364 N -3.46 3.87 0.71 12.44 0.04 -1.26 -4.70 135.00 142.63 1itz s PRO 364 Ca 0.74 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 1itz s PRO 364 Cb -0.27 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1itz s PRO 364 CO 0.33 -0.49 1.17 0.20 0.04 0.00 0.00 177.00 178.25 1itz s GLY 365 N -1.14 2.25 0.21 0.56 0.00 -1.26 -4.83 107.32 103.11 1itz s GLY 365 Ca 0.60 0.75 -0.23 0.00 0.00 0.00 0.00 44.72 45.85 1itz s GLY 365 CO 0.39 1.14 0.69 -0.35 0.00 0.00 0.00 173.10 174.97 1itz s ASP 366 N -2.25 -0.39 0.32 1.64 3.68 -0.68 -4.85 116.67 114.14 1itz s ASP 366 Ca 0.71 -0.30 -0.27 0.00 2.13 0.00 0.00 52.55 54.83 1itz s ASP 366 Cb -0.26 0.64 -0.09 0.00 -1.45 0.00 0.00 42.92 41.76 1itz s ASP 366 CO 0.44 -1.12 0.99 0.00 0.13 0.00 0.00 175.17 175.61 1itz s ALA 367 N -3.77 3.23 0.51 3.66 0.00 -1.26 -1.48 121.76 122.65 1itz s ALA 367 Ca 0.06 0.63 0.27 0.00 0.00 0.00 0.00 51.96 52.93 1itz s ALA 367 Cb -0.03 -3.23 1.61 0.00 0.00 0.00 0.00 23.12 21.47 1itz s ALA 367 CO -0.03 0.04 2.17 1.79 0.00 0.00 0.00 175.76 179.73 1itz h THR 368 N 2.65 0.60 -0.34 0.00 1.35 -1.77 0.08 112.91 115.48 1itz h THR 368 Ca -0.47 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.08 1itz h THR 368 Cb 1.20 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1itz h THR 368 CO 0.65 0.06 -0.08 0.08 -0.25 0.00 0.00 175.52 175.97 1itz h ARG 369 N 0.00 0.56 -0.11 4.72 0.11 -1.85 0.20 114.38 118.00 1itz h ARG 369 Ca -0.00 -0.15 -0.20 0.00 0.10 0.00 0.00 59.98 59.73 1itz h ARG 369 Cb 0.15 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.18 1itz h ARG 369 CO 0.01 0.65 -0.71 -0.91 0.10 0.00 0.00 179.97 179.11 1itz h ASN 370 N 0.52 0.82 0.16 0.08 -0.26 -1.30 -2.83 115.58 112.77 1itz h ASN 370 Ca 0.10 -0.65 -0.04 0.00 -0.56 0.00 0.00 56.30 55.14 1itz h ASN 370 Cb 0.46 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1itz h ASN 370 CO 0.02 1.34 -0.18 -0.07 -1.06 0.00 0.00 177.43 177.48 1itz h LEU 371 N 0.35 0.06 -0.58 1.61 3.38 -1.10 -2.09 115.31 116.93 1itz h LEU 371 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1itz h LEU 371 Cb 1.35 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1itz h LEU 371 CO 0.14 0.25 0.30 -1.28 0.09 0.00 0.00 178.44 177.95 1itz h SER 372 N 0.06 0.74 -0.96 -0.43 0.87 -0.46 -1.94 113.55 111.42 1itz h SER 372 Ca 0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1itz h SER 372 Cb 0.36 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1itz h SER 372 CO 0.02 0.64 0.61 -0.61 -0.53 0.00 0.00 176.83 176.96 1itz h GLN 373 N 0.79 1.29 -0.50 2.24 4.15 -1.14 0.11 115.11 122.05 1itz h GLN 373 Ca 0.20 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1itz h GLN 373 Cb 0.07 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1itz h GLN 373 CO -0.03 0.88 0.31 1.96 -1.93 0.00 0.00 178.83 180.02 1itz h GLN 374 N 1.32 0.68 -0.41 1.69 4.20 -1.23 -0.19 115.11 121.18 1itz h GLN 374 Ca 0.35 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1itz h GLN 374 Cb -0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1itz h GLN 374 CO -0.07 0.49 0.20 0.00 -0.67 0.00 0.00 178.83 178.78 1itz h LEU 376 N 0.52 0.67 -0.92 0.00 3.38 -0.37 -0.49 115.31 118.09 1itz h LEU 376 Ca 0.14 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1itz h LEU 376 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1itz h LEU 376 CO -0.02 0.54 -0.28 0.78 0.09 0.00 0.00 178.44 179.55 1itz h ASN 377 N 0.74 0.47 -0.52 -0.43 4.21 -0.89 -0.83 115.58 118.33 1itz h ASN 377 Ca 0.20 -0.17 -0.09 0.00 1.21 0.00 0.00 56.30 57.45 1itz h ASN 377 Cb 0.01 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.06 1itz h ASN 377 CO -0.04 0.74 -0.03 0.00 -1.29 0.00 0.00 177.43 176.82 1itz h ALA 378 N 1.30 0.70 -0.12 -0.83 0.00 -0.50 -3.03 119.26 116.78 1itz h ALA 378 Ca 0.06 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1itz h ALA 378 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1itz h ALA 378 CO 0.05 0.54 -0.54 -0.07 0.00 0.00 0.00 179.25 179.24 1itz h LEU 379 N 0.80 0.39 -1.74 0.00 3.38 -0.92 -3.21 115.31 114.01 1itz h LEU 379 Ca 0.14 -0.20 0.27 0.00 0.09 0.00 0.00 57.88 58.18 1itz h LEU 379 Cb 0.56 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1itz h LEU 379 CO 0.03 0.85 0.68 0.00 0.09 0.00 0.00 178.44 180.09 1itz h ALA 380 N 1.16 2.61 0.00 1.53 0.00 -1.02 0.01 119.26 123.56 1itz h ALA 380 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1itz h ALA 380 Cb 1.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1itz h ALA 380 CO 0.09 -0.93 -0.81 -0.91 0.00 0.00 0.00 179.25 176.69 1itz h ASN 381 N 0.18 0.00 -0.00 0.00 -0.26 -1.65 -3.36 115.58 110.48 1itz h ASN 381 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.24 1itz h ASN 381 Cb 1.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.91 1itz h ASN 381 CO -0.11 0.81 -0.50 1.33 -1.06 0.00 0.00 177.43 177.90 1itz n VAL 382 N -3.52 0.00 -3.95 2.81 0.24 -0.18 -4.83 118.33 108.89 1itz n VAL 382 Ca -0.00 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1itz n VAL 382 Cb 0.79 1.08 -0.15 0.00 -1.47 0.00 0.00 33.84 34.09 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 -2.08 2.06 0.56 3.34 0.11 -0.20 -4.43 120.40 119.75 1itz s VAL 383 Ca 0.08 -2.33 0.26 0.00 -2.93 0.00 0.00 61.98 57.06 1itz s VAL 383 Cb 0.11 -2.51 0.36 0.00 -1.53 0.00 0.00 36.38 32.81 1itz s VAL 383 CO 0.48 -0.65 2.05 1.55 -3.33 0.00 0.00 175.10 175.20 1itz h PRO 384 N 7.51 0.00 -0.38 1.54 0.13 -1.87 -2.29 132.00 136.64 1itz h PRO 384 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1itz h PRO 384 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1itz h PRO 384 CO 0.53 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 1itz n GLY 385 N -1.52 0.89 3.67 1.56 0.00 -1.26 -4.87 105.19 103.66 1itz n GLY 385 Ca 0.05 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.12 4.20 -0.14 0.99 2.96 -0.86 -0.41 118.68 124.31 1itz s LEU 386 Ca 0.30 1.72 -0.20 0.00 -0.22 0.00 0.00 54.13 55.72 1itz s LEU 386 Cb 0.16 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.35 1itz s LEU 386 CO 0.21 -0.72 0.51 -0.51 -1.32 0.00 0.00 176.35 174.53 1itz s ILE 387 N 3.16 0.01 -4.24 6.68 2.07 -1.13 -4.96 121.20 122.79 1itz s ILE 387 Ca 0.55 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1itz s ILE 387 Cb -0.22 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1itz s ILE 387 CO 0.16 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 1itz n GLY 388 N 2.18 -0.50 0.00 1.50 0.00 -1.13 -2.01 105.19 105.23 1itz n GLY 388 Ca -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.30 3.69 -0.02 0.00 -0.77 0.13 105.19 106.93 1itz n GLY 389 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 4.85 -1.23 1.61 0.15 -1.24 -1.63 113.70 112.21 1itz s SER 390 Ca 0.00 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 1itz s SER 390 Cb 0.00 -1.04 0.17 0.00 -1.71 0.00 0.00 66.02 63.44 1itz s SER 390 CO 0.00 0.03 1.54 0.00 1.20 0.00 0.00 173.24 176.01 1itz n ALA 391 N -0.63 4.15 -2.22 5.45 0.00 -0.63 -2.57 120.51 124.07 1itz n ALA 391 Ca -0.08 -4.24 -0.20 0.00 0.00 0.00 0.00 53.44 48.92 1itz n ALA 391 Cb 0.57 -3.07 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 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 5.42 -5.56 -0.99 0.00 2.03 -1.08 -4.51 116.55 111.86 1itz n ASP 392 Ca 0.38 0.08 0.03 0.00 0.52 0.00 0.00 54.79 55.80 1itz n ASP 392 Cb 0.42 -4.63 0.03 0.00 -0.72 0.00 0.00 41.12 36.22 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 -2.70 0.86 -0.29 -2.67 4.32 -1.26 -4.90 117.00 110.36 1itz n LEU 393 Ca -0.23 -1.86 0.19 0.00 -0.02 0.00 0.00 56.01 54.09 1itz n LEU 393 Cb 0.67 -0.07 0.47 0.00 -1.62 0.00 0.00 43.42 42.87 1itz n LEU 393 CO 0.27 0.50 1.22 0.00 -1.22 0.00 0.00 177.39 178.16 1itz h ALA 394 N 0.59 2.11 0.00 -1.18 0.00 -1.89 0.33 119.26 119.21 1itz h ALA 394 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1itz h ALA 394 Cb 1.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1itz h ALA 394 CO 0.05 -0.44 0.00 0.77 0.00 0.00 0.00 179.25 179.63 1itz h SER 395 N 0.48 0.00 0.00 0.00 0.02 -1.98 -1.81 113.55 110.26 1itz h SER 395 Ca 0.52 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.23 1itz h SER 395 Cb 1.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 1itz h SER 395 CO -0.24 0.00 -1.92 -1.20 -1.14 0.00 0.00 176.83 172.32 1itz n SER 396 N -2.43 2.25 0.16 3.07 7.64 -0.20 -4.51 113.62 119.59 1itz n SER 396 Ca 0.05 -0.05 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1itz n SER 396 Cb 0.41 0.27 0.07 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.00 0.00 -4.98 6.43 2.35 -0.54 -3.48 115.58 115.36 1itz h ASN 397 Ca -0.36 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.14 1itz h ASN 397 Cb 1.69 0.00 0.15 0.00 0.05 0.00 0.00 38.32 40.21 1itz h ASN 397 CO -0.02 0.34 -0.65 0.23 -1.65 0.00 0.00 177.43 175.68 1itz n MET 398 N -3.18 -4.06 0.00 0.81 2.81 -0.68 -4.84 117.12 107.97 1itz n MET 398 Ca 0.02 0.70 0.08 0.00 -1.81 0.00 0.00 57.70 56.69 1itz n MET 398 Cb 0.67 -5.16 0.06 0.00 -0.71 0.00 0.00 33.22 28.08 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 -3.31 0.00 -2.25 2.03 -2.24 -1.19 -4.00 114.28 103.32 1itz n THR 399 Ca -0.17 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1itz n THR 399 Cb 0.62 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.32 4.36 -0.56 3.22 1.43 -1.26 -4.83 118.68 119.72 1itz s LEU 400 Ca 0.18 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.24 1itz s LEU 400 Cb 0.13 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1itz s LEU 400 CO 0.20 -0.60 0.96 -0.76 0.23 0.00 0.00 176.35 176.38 1itz s LEU 401 N 1.23 4.07 0.45 1.79 1.43 -1.26 -4.87 118.68 121.52 1itz s LEU 401 Ca 0.63 -0.34 0.21 0.00 -1.03 0.00 0.00 54.13 53.60 1itz s LEU 401 Cb -0.34 -2.84 1.20 0.00 0.03 0.00 0.00 46.19 44.24 1itz s LEU 401 CO 0.29 -1.25 1.87 0.11 0.23 0.00 0.00 176.35 177.60 1itz h LYS 402 N 9.33 0.28 -0.14 1.70 1.57 -1.96 -2.35 116.57 125.00 1itz h LYS 402 Ca -0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1itz h LYS 402 Cb 1.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1itz h LYS 402 CO 1.10 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 180.16 1itz n MET 403 N -4.45 1.38 -4.31 3.15 0.00 -1.26 -4.89 117.12 106.73 1itz n MET 403 Ca 0.19 -0.58 -0.16 0.00 0.00 0.00 0.00 57.70 57.15 1itz n MET 403 Cb 0.76 -1.19 -0.10 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.81 1.48 0.00 3.17 0.40 -0.88 -5.09 117.98 115.25 1itz s PHE 404 Ca 0.17 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1itz s PHE 404 Cb 0.08 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1itz s PHE 404 CO 0.12 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1itz n GLY 405 N -0.39 2.29 3.88 4.36 0.00 -1.26 -4.87 105.19 109.20 1itz n GLY 405 Ca -0.04 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.88 6.50 0.07 1.61 1.01 -1.26 -2.83 116.67 120.89 1itz s ASP 406 Ca 0.00 0.58 -0.31 0.00 0.71 0.00 0.00 52.55 53.53 1itz s ASP 406 Cb 0.00 -2.10 -0.07 0.00 1.01 0.00 0.00 42.92 41.76 1itz s ASP 406 CO 0.00 0.32 1.38 0.12 0.21 0.00 0.00 175.17 177.20 1itz s PHE 407 N -1.17 3.11 0.20 4.23 2.19 0.44 -4.67 117.98 122.31 1itz s PHE 407 Ca 0.23 0.92 -0.14 0.00 0.33 0.00 0.00 56.93 58.27 1itz s PHE 407 Cb -0.13 -3.66 0.01 0.00 -1.31 0.00 0.00 43.02 37.93 1itz s PHE 407 CO 0.12 -2.34 0.46 -0.65 1.83 0.00 0.00 175.22 174.64 1itz s GLN 408 N 1.58 1.38 0.39 10.12 -1.52 -1.23 -4.73 119.66 125.64 1itz s GLN 408 Ca 0.64 -1.04 0.16 0.00 -1.95 0.00 0.00 55.36 53.17 1itz s GLN 408 Cb -0.34 0.48 1.03 0.00 -0.22 0.00 0.00 33.01 33.96 1itz s GLN 408 CO 0.29 -0.57 1.79 1.57 -0.25 0.00 0.00 175.29 178.12 1itz h LYS 409 N 2.29 0.45 -0.00 2.91 2.10 -1.81 -0.06 116.57 122.44 1itz h LYS 409 Ca -0.28 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1itz h LYS 409 Cb 1.25 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1itz h LYS 409 CO 0.39 0.30 -0.47 -0.25 -2.00 0.00 0.00 179.45 177.42 1itz n ASP 410 N -4.63 0.68 -2.63 7.07 8.00 -1.26 -4.27 116.55 119.51 1itz n ASP 410 Ca 0.24 -0.47 -0.11 0.00 0.71 0.00 0.00 54.79 55.16 1itz n ASP 410 Cb 0.78 0.27 0.03 0.00 -0.02 0.00 0.00 41.12 42.18 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 -1.27 1.39 0.06 -3.53 -2.24 -0.11 -4.91 114.28 103.66 1itz n THR 411 Ca 0.07 -3.41 0.03 0.00 -2.27 0.00 0.00 64.05 58.47 1itz n THR 411 Cb 0.34 0.38 0.13 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 -0.30 1.04 1.20 6.98 0.00 -0.76 -1.50 120.51 127.17 1itz n ALA 412 Ca 0.16 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.77 1itz n ALA 412 Cb 0.80 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.65 0.32 -1.87 0.00 0.00 -1.26 -4.16 120.64 112.01 1itz n GLU 413 Ca -0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 57.16 56.74 1itz n GLU 413 Cb 0.02 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 29.98 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 -2.75 3.21 0.00 3.44 0.41 -0.56 -4.87 118.70 117.58 1itz s GLU 414 Ca 0.21 1.08 0.14 0.00 -0.41 0.00 0.00 54.97 55.98 1itz s GLU 414 Cb 0.19 -2.02 0.18 0.00 -1.78 0.00 0.00 34.13 30.70 1itz s GLU 414 CO 0.54 -0.89 1.03 0.54 -0.49 0.00 0.00 175.26 175.99 1itz n ARG 415 N -2.47 1.40 -3.43 1.61 1.74 -1.25 -4.37 116.66 109.88 1itz n ARG 415 Ca 0.08 -1.54 -0.39 0.00 -0.77 0.00 0.00 57.85 55.23 1itz n ARG 415 Cb 0.53 -1.28 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.11 6.20 -0.20 0.55 0.01 -1.13 -2.86 114.94 116.40 1itz s ASN 416 Ca 0.19 0.21 -0.07 0.00 -0.71 0.00 0.00 52.86 52.48 1itz s ASN 416 Cb 0.12 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 1itz s ASN 416 CO 0.18 -0.16 0.04 -0.69 -1.51 0.00 0.00 177.10 174.96 1itz s VAL 417 N 2.00 4.45 -0.43 1.60 1.01 0.12 -0.42 120.40 128.73 1itz s VAL 417 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 1itz s VAL 417 Cb -0.16 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.27 1itz s VAL 417 CO 0.10 0.43 0.31 -0.13 0.00 0.00 0.00 175.10 175.82 1itz s ARG 418 N 0.72 2.83 0.33 2.72 1.81 -1.26 -3.67 118.95 122.43 1itz s ARG 418 Ca 0.02 -1.32 0.20 0.00 -1.72 0.00 0.00 55.73 52.91 1itz s ARG 418 Cb -0.14 -3.94 0.17 0.00 -0.45 0.00 0.00 34.95 30.59 1itz s ARG 418 CO 0.02 -0.93 1.42 0.74 -0.68 0.00 0.00 175.30 175.88 1itz h PHE 419 N 8.57 0.00 0.00 -0.53 0.04 -1.86 -3.49 116.94 119.68 1itz h PHE 419 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1itz h PHE 419 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1itz h PHE 419 CO 0.61 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.95 1itz n GLY 420 N 1.18 -1.90 2.84 -1.45 0.00 -1.26 -4.25 105.19 100.34 1itz n GLY 420 Ca 0.02 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 4.56 -3.19 1.61 0.31 -1.26 -2.63 118.33 117.74 1itz n VAL 421 Ca 0.00 -4.58 -0.22 0.00 -0.01 0.00 0.00 64.34 59.53 1itz n VAL 421 Cb 0.00 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 30.59 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 3.32 1.18 0.01 5.55 1.74 -1.26 -5.00 116.66 122.20 1itz n ARG 422 Ca 0.40 -3.54 -0.10 0.00 -0.77 0.00 0.00 57.85 53.84 1itz n ARG 422 Cb 0.35 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 3.49 -0.27 -0.20 5.56 3.07 -1.93 0.59 114.58 124.89 1itz h GLU 423 Ca 0.10 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1itz h GLU 423 Cb 0.87 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1itz h GLU 423 CO 0.54 -0.18 0.08 1.25 -1.40 0.00 0.00 179.01 179.30 1itz h HIS 424 N -0.28 0.30 -0.91 4.33 2.76 -1.90 -0.48 115.15 118.97 1itz h HIS 424 Ca 0.10 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1itz h HIS 424 Cb 0.42 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 1itz h HIS 424 CO -0.31 0.34 0.50 0.78 -1.30 0.00 0.00 177.93 177.93 1itz h GLY 425 N 0.17 1.35 0.69 5.26 0.00 -1.78 -2.12 103.07 106.63 1itz h GLY 425 Ca 0.07 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 46.84 1itz h GLY 425 CO -0.01 0.59 0.33 1.98 0.00 0.00 0.00 176.54 179.43 1itz h MET 426 N 1.27 0.59 -0.76 4.80 -1.53 -0.38 -0.43 114.93 118.49 1itz h MET 426 Ca 0.32 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.52 1itz h MET 426 Cb 0.02 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 30.90 1itz h MET 426 CO -0.05 0.39 0.38 0.78 0.14 0.00 0.00 176.91 178.55 1itz h GLY 427 N 0.61 1.17 1.77 1.39 0.00 -0.48 -1.85 103.07 105.69 1itz h GLY 427 Ca 0.27 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1itz h GLY 427 CO -0.17 0.54 -0.59 0.00 0.00 0.00 0.00 176.54 176.32 1itz h ALA 428 N 1.19 0.87 -0.50 3.60 0.00 -0.98 -2.52 119.26 120.91 1itz h ALA 428 Ca 0.26 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1itz h ALA 428 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1itz h ALA 428 CO -0.03 0.72 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1itz h ILE 429 N 0.18 1.27 -0.21 0.00 2.04 -0.86 -2.20 117.51 117.72 1itz h ILE 429 Ca -0.00 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1itz h ILE 429 Cb 1.09 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1itz h ILE 429 CO 0.09 0.44 -0.18 0.00 0.00 0.00 0.00 178.15 178.50 1itz h ASN 431 N 0.34 0.67 -0.19 0.00 -0.26 -1.09 0.89 115.58 115.95 1itz h ASN 431 Ca 0.06 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1itz h ASN 431 Cb 0.52 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1itz h ASN 431 CO 0.03 0.72 0.04 1.23 -1.06 0.00 0.00 177.43 178.40 1itz h GLY 432 N 0.93 0.33 0.94 2.83 0.00 -0.74 -1.00 103.07 106.37 1itz h GLY 432 Ca 0.14 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1itz h GLY 432 CO 0.01 0.20 0.02 -2.22 0.00 0.00 0.00 176.54 174.54 1itz h ILE 433 N 0.11 0.98 -0.92 2.60 2.04 -0.98 -1.12 117.51 120.22 1itz h ILE 433 Ca 0.06 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1itz h ILE 433 Cb 0.29 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1itz h ILE 433 CO 0.00 0.01 0.60 0.00 0.00 0.00 0.00 178.15 178.76 1itz h ALA 434 N 1.04 1.58 -0.15 1.87 0.00 -0.67 -1.72 119.26 121.22 1itz h ALA 434 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itz h ALA 434 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1itz h ALA 434 CO -0.04 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1itz n LEU 435 N -4.54 1.61 -0.02 0.00 4.77 -0.39 -4.04 117.00 114.40 1itz n LEU 435 Ca 0.16 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.32 1itz n LEU 435 Cb 0.29 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1itz n LEU 435 CO 0.31 0.33 0.36 -0.74 -1.33 0.00 0.00 177.39 176.32 1itz h HIS 436 N 2.17 0.32 -2.78 -1.77 2.76 -0.25 -3.47 115.15 112.14 1itz h HIS 436 Ca 0.00 -0.18 -0.12 0.00 -2.20 0.00 0.00 60.37 57.87 1itz h HIS 436 Cb 0.48 -0.04 -0.24 0.00 1.55 0.00 0.00 27.41 29.16 1itz h HIS 436 CO 0.09 0.98 -0.24 -1.12 -1.30 0.00 0.00 177.93 176.34 1itz s SER 437 N -6.40 -0.40 0.66 3.26 0.01 -1.25 -5.06 113.70 104.52 1itz s SER 437 Ca -0.15 0.73 0.41 0.00 1.31 0.00 0.00 55.95 58.25 1itz s SER 437 Cb 0.01 0.76 2.26 0.00 0.21 0.00 0.00 66.02 69.26 1itz s SER 437 CO 0.76 -0.18 2.28 1.55 0.41 0.00 0.00 173.24 178.07 1itz h PRO 438 N 5.32 0.00 0.00 12.44 0.13 -1.78 -2.49 132.00 145.62 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 -0.20 0.41 -0.23 0.00 0.00 178.00 178.26 1itz n GLY 439 N -1.12 -1.46 3.75 1.56 0.00 0.86 -4.54 105.19 104.24 1itz n GLY 439 Ca -0.03 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.03 3.53 -0.55 1.61 0.08 -0.94 -4.05 117.98 114.63 1itz s PHE 440 Ca 0.12 1.61 0.04 0.00 0.12 0.00 0.00 56.93 58.82 1itz s PHE 440 Cb 0.17 -3.33 0.16 0.00 -0.57 0.00 0.00 43.02 39.45 1itz s PHE 440 CO 0.60 -0.74 0.38 0.08 -0.10 0.00 0.00 175.22 175.44 1itz s VAL 441 N -0.72 1.80 0.27 -0.44 1.01 0.46 -4.83 120.40 117.96 1itz s VAL 441 Ca 0.47 -3.38 -0.26 0.00 0.00 0.00 0.00 61.98 58.82 1itz s VAL 441 Cb -0.32 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 1itz s VAL 441 CO 0.39 -1.04 0.89 -2.16 0.00 0.00 0.00 175.10 173.18 1itz s PRO 442 N -0.56 4.58 0.03 2.72 0.04 -1.26 -2.82 135.00 137.73 1itz s PRO 442 Ca 0.25 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1itz s PRO 442 Cb -0.07 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1itz s PRO 442 CO -0.13 0.38 -0.11 1.52 0.04 0.00 0.00 177.00 178.70 1itz s TYR 443 N -1.47 0.95 0.06 0.56 1.13 -0.85 -1.14 117.35 116.59 1itz s TYR 443 Ca 0.46 -0.33 -0.02 0.00 -1.41 0.00 0.00 57.07 55.77 1itz s TYR 443 Cb -0.20 -0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 40.05 1itz s TYR 443 CO 0.25 -0.00 -0.01 0.00 -2.51 0.00 0.00 175.55 173.28 1itz s ALA 445 N -3.93 -0.88 0.16 0.00 0.00 -0.64 -1.09 121.76 115.38 1itz s ALA 445 Ca 0.08 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 1itz s ALA 445 Cb 0.08 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1itz s ALA 445 CO -0.09 -0.44 0.49 2.41 0.00 0.00 0.00 175.76 178.13 1itz n THR 446 N 0.51 0.00 -2.46 0.00 -1.04 -1.19 -1.60 114.28 108.50 1itz n THR 446 Ca -0.18 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 60.99 1itz n THR 446 Cb 0.60 0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 69.55 1itz n THR 446 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1itz s PHE 447 N -4.61 3.54 0.33 -1.42 0.08 -1.26 -2.32 117.98 112.32 1itz s PHE 447 Ca 0.10 1.61 0.12 0.00 0.12 0.00 0.00 56.93 58.88 1itz s PHE 447 Cb -0.02 -3.32 0.96 0.00 -0.57 0.00 0.00 43.02 40.07 1itz s PHE 447 CO 0.05 -0.73 1.71 0.35 -0.10 0.00 0.00 175.22 176.51 1itz h PHE 448 N 4.50 0.96 0.00 0.36 3.57 -1.33 0.67 116.94 125.67 1itz h PHE 448 Ca -0.46 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1itz h PHE 448 Cb 1.21 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1itz h PHE 448 CO 0.61 0.00 -0.10 -0.24 -2.23 0.00 0.00 178.31 176.35 1itz h VAL 449 N 0.50 0.72 -0.23 1.41 3.04 -1.83 -2.18 116.25 117.68 1itz h VAL 449 Ca 0.67 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1itz h VAL 449 Cb 1.37 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1itz h VAL 449 CO -0.49 0.10 0.00 0.49 -1.01 0.00 0.00 177.57 176.65 1itz n PHE 450 N -3.91 0.52 0.25 3.17 3.72 0.23 -3.13 117.46 118.31 1itz n PHE 450 Ca -0.02 -0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1itz n PHE 450 Cb 0.19 -0.11 0.68 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.46 0.72 -0.69 4.37 1.35 -1.50 -1.78 112.91 116.84 1itz h THR 451 Ca 0.00 -0.53 0.07 0.00 -0.55 0.00 0.00 66.41 65.40 1itz h THR 451 Cb 0.64 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 1itz h THR 451 CO 0.08 0.13 0.46 0.44 -0.25 0.00 0.00 175.52 176.37 1itz h ASP 452 N 0.00 0.60 0.38 5.36 3.45 -1.79 0.20 116.42 124.62 1itz h ASP 452 Ca -0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.37 1itz h ASP 452 Cb 0.31 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1itz h ASP 452 CO 0.02 0.39 -0.43 1.88 -1.57 0.00 0.00 179.24 179.52 1itz h TYR 453 N 0.68 0.08 -0.15 4.55 -1.99 -1.59 -3.23 116.97 115.32 1itz h TYR 453 Ca 0.30 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1itz h TYR 453 Cb 0.30 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1itz h TYR 453 CO -0.00 0.49 0.00 0.00 -0.00 0.00 0.00 178.16 178.65 1itz n MET 454 N -4.02 2.37 -0.10 4.88 0.00 -0.47 -4.21 117.12 115.57 1itz n MET 454 Ca -0.02 -2.42 0.10 0.00 0.00 0.00 0.00 57.70 55.36 1itz n MET 454 Cb 0.47 -1.51 0.46 0.00 0.00 0.00 0.00 33.22 32.64 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 0.95 0.48 -0.45 3.17 2.43 -0.69 -2.16 114.38 118.11 1itz h ARG 455 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1itz h ARG 455 Cb 1.04 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1itz h ARG 455 CO 0.08 0.32 0.23 0.78 -1.51 0.00 0.00 179.97 179.86 1itz h GLY 456 N 0.49 0.61 1.71 2.80 0.00 -1.85 -1.09 103.07 105.75 1itz h GLY 456 Ca 0.28 -0.16 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 1itz h GLY 456 CO -0.08 0.11 -0.72 0.00 0.00 0.00 0.00 176.54 175.86 1itz h ALA 457 N 1.23 0.68 -0.63 3.60 0.00 -1.73 -3.04 119.26 119.38 1itz h ALA 457 Ca 0.19 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1itz h ALA 457 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1itz h ALA 457 CO -0.13 0.79 0.21 0.52 0.00 0.00 0.00 179.25 180.64 1itz h MET 458 N 0.19 0.97 -0.70 0.00 2.07 -1.05 -1.34 114.93 115.08 1itz h MET 458 Ca -0.02 -0.20 -0.05 0.00 -2.07 0.00 0.00 59.70 57.36 1itz h MET 458 Cb 1.27 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.83 1itz h MET 458 CO 0.11 0.85 0.25 -0.09 1.07 0.00 0.00 176.91 179.10 1itz h ARG 459 N 0.90 1.05 -0.14 1.72 2.43 -1.23 -1.60 114.38 117.49 1itz h ARG 459 Ca 0.20 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1itz h ARG 459 Cb 0.28 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1itz h ARG 459 CO -0.01 0.87 -0.19 0.82 -1.51 0.00 0.00 179.97 179.95 1itz h ILE 460 N 1.02 1.21 -0.31 1.20 1.08 -1.30 -1.01 117.51 119.40 1itz h ILE 460 Ca 0.23 -0.96 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1itz h ILE 460 Cb 0.24 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1itz h ILE 460 CO -0.02 0.29 0.20 0.28 -0.69 0.00 0.00 178.15 178.22 1itz h SER 461 N 0.23 0.35 -0.25 1.72 0.02 -0.27 0.46 113.55 115.81 1itz h SER 461 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1itz h SER 461 Cb 0.48 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1itz h SER 461 CO 0.03 0.25 0.07 0.00 -1.14 0.00 0.00 176.83 176.04 1itz h ALA 462 N 1.12 0.33 -0.31 3.77 0.00 -1.11 -0.97 119.26 122.09 1itz h ALA 462 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1itz h ALA 462 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1itz h ALA 462 CO -0.03 -0.03 -0.41 1.25 0.00 0.00 0.00 179.25 180.03 1itz h LEU 463 N 0.23 0.81 -0.75 0.00 5.85 -0.96 -3.09 115.31 117.40 1itz h LEU 463 Ca 0.08 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1itz h LEU 463 Cb 0.26 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1itz h LEU 463 CO -0.00 1.11 0.00 -1.54 -0.34 0.00 0.00 178.44 177.67 1itz n SER 464 N -4.04 1.16 -3.21 1.25 3.41 0.16 -4.93 113.62 107.42 1itz n SER 464 Ca -0.02 -1.42 -0.19 0.00 -0.26 0.00 0.00 58.87 56.98 1itz n SER 464 Cb 0.54 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.08 -6.58 -3.40 4.33 1.02 -0.47 -4.76 120.64 110.70 1itz n GLU 465 Ca 0.19 0.75 -0.40 0.00 -0.02 0.00 0.00 57.16 57.68 1itz n GLU 465 Cb 0.29 -5.51 -0.09 0.00 -0.02 0.00 0.00 31.44 26.11 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 -3.30 3.51 -1.22 0.62 0.00 -0.61 -4.40 121.76 116.36 1itz s ALA 466 Ca 0.29 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 1itz s ALA 466 Cb -0.13 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 1itz s ALA 466 CO 0.65 -0.95 2.59 0.41 0.00 0.00 0.00 175.76 178.46 1itz n GLY 467 N 4.89 3.65 3.78 0.00 0.00 -1.11 -3.47 105.19 112.93 1itz n GLY 467 Ca -0.09 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 2.67 4.25 -0.26 1.61 1.01 -1.26 -4.54 120.40 123.88 1itz s VAL 468 Ca 0.56 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 64.27 1itz s VAL 468 Cb 0.15 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1itz s VAL 468 CO -0.04 0.33 0.06 -0.63 0.00 0.00 0.00 175.10 174.82 1itz s ILE 469 N -1.38 4.18 -0.39 2.22 1.01 -0.29 -2.13 121.20 124.42 1itz s ILE 469 Ca 0.44 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 1itz s ILE 469 Cb -0.21 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1itz s ILE 469 CO 0.26 0.30 0.34 -0.31 0.00 0.00 0.00 174.94 175.53 1itz s TYR 470 N 1.59 3.21 -0.56 3.97 1.51 0.58 -1.77 117.35 125.88 1itz s TYR 470 Ca 0.06 -0.38 -0.19 0.00 -1.01 0.00 0.00 57.07 55.55 1itz s TYR 470 Cb -0.15 -2.68 0.09 0.00 -0.11 0.00 0.00 41.96 39.10 1itz s TYR 470 CO 0.03 -0.57 0.67 0.08 -1.11 0.00 0.00 175.55 174.65 1itz s VAL 471 N 1.88 4.85 -0.29 0.71 1.01 -0.25 -0.70 120.40 127.61 1itz s VAL 471 Ca 0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1itz s VAL 471 Cb -0.18 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 31.84 1itz s VAL 471 CO 0.11 -1.00 -0.02 -0.04 0.00 0.00 0.00 175.10 174.16 1itz s MET 472 N 2.63 2.48 0.49 2.72 -1.94 0.06 -3.20 119.30 122.54 1itz s MET 472 Ca 0.12 -1.23 0.08 0.00 -1.71 0.00 0.00 55.69 52.96 1itz s MET 472 Cb -0.22 -3.13 0.03 0.00 2.01 0.00 0.00 34.83 33.52 1itz s MET 472 CO 0.08 -0.58 0.58 0.95 -0.01 0.00 0.00 175.02 176.04 1itz s THR 473 N 1.25 2.42 -1.19 2.05 -4.23 -0.98 0.07 115.64 115.03 1itz s THR 473 Ca -0.05 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1itz s THR 473 Cb -0.19 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 1itz s THR 473 CO -0.02 0.00 0.97 1.41 -0.54 0.00 0.00 174.62 176.45 1itz n HIS 474 N -1.91 -2.19 0.70 3.99 8.25 0.13 -1.12 115.22 123.06 1itz n HIS 474 Ca 0.08 0.93 0.07 0.00 -0.26 0.00 0.00 57.72 58.53 1itz n HIS 474 Cb 0.61 -4.96 0.36 0.00 1.12 0.00 0.00 29.99 27.12 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 -3.13 0.00 -0.59 0.41 5.75 -0.95 -4.40 116.55 113.64 1itz n ASP 475 Ca -0.27 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 1itz n ASP 475 Cb 0.67 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 -1.20 0.00 0.00 -1.12 3.41 -1.26 -4.53 113.62 108.92 1itz n SER 476 Ca 0.08 -0.59 0.04 0.00 -0.26 0.00 0.00 58.87 58.13 1itz n SER 476 Cb 0.09 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 1itz n SER 476 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1itz n ILE 477 N 0.00 1.15 0.32 -1.33 -5.35 -1.26 -2.17 119.36 110.71 1itz n ILE 477 Ca 0.00 0.29 0.21 0.00 -0.27 0.00 0.00 62.75 62.98 1itz n ILE 477 Cb 0.00 -1.15 1.03 0.00 -1.74 0.00 0.00 39.64 37.77 1itz n ILE 477 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1itz h GLY 478 N 1.34 0.00 2.00 3.28 0.00 -1.93 -1.83 103.07 105.93 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 -1.77 -3.42 115.31 121.33 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 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 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 -0.15 0.37 0.06 0.17 0.00 -0.69 -4.44 105.19 100.51 1itz n GLY 480 Ca 0.01 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1itz n GLY 480 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1itz n GLU 481 N 10.74 0.06 0.30 1.61 0.00 -0.24 -2.52 120.64 130.61 1itz n GLU 481 Ca 0.00 0.45 0.16 0.00 0.00 0.00 0.00 57.16 57.77 1itz n GLU 481 Cb 0.00 -1.66 0.96 0.00 0.00 0.00 0.00 31.44 30.74 1itz n GLU 481 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1itz h ASP 482 N 0.00 0.00 -4.45 -1.84 3.32 -1.87 -3.39 116.42 108.19 1itz h ASP 482 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1itz h ASP 482 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1itz h ASP 482 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1itz n GLY 483 N -1.29 -2.64 0.40 2.75 0.00 -1.05 -4.55 105.19 98.81 1itz n GLY 483 Ca -0.03 -1.76 0.19 0.00 0.00 0.00 0.00 46.02 44.42 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 0.29 0.00 1.61 0.13 -1.79 -0.09 132.00 132.15 1itz h PRO 484 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1itz h PRO 484 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 1itz h PRO 484 CO 0.00 0.19 0.00 1.79 -0.23 0.00 0.00 178.00 179.75 1itz h THR 485 N 0.30 0.00 0.00 1.56 1.35 -1.96 -2.95 112.91 111.20 1itz h THR 485 Ca 0.40 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1itz h THR 485 Cb 1.11 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1itz h THR 485 CO -0.11 0.00 -0.52 1.41 -0.25 0.00 0.00 175.52 176.05 1itz n HIS 486 N -2.97 0.00 -3.33 4.73 8.25 -0.10 -4.99 115.22 116.80 1itz n HIS 486 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1itz n HIS 486 Cb 0.20 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.99 4.07 0.59 -0.41 -0.21 -0.84 -4.58 119.66 116.29 1itz s GLN 487 Ca 0.03 0.17 -0.19 0.00 0.02 0.00 0.00 55.36 55.40 1itz s GLN 487 Cb 0.08 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1itz s GLN 487 CO 0.41 -0.26 1.20 -2.14 -2.12 0.00 0.00 175.29 172.38 1itz s PRO 488 N 2.00 3.01 0.26 2.91 0.02 -1.26 -4.78 135.00 137.15 1itz s PRO 488 Ca 0.18 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1itz s PRO 488 Cb -0.16 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1itz s PRO 488 CO 0.09 -1.17 0.00 -0.89 -0.33 0.00 0.00 177.00 174.70 1itz n ILE 489 N -1.58 0.00 0.77 2.83 2.08 -1.26 -4.56 119.36 117.64 1itz n ILE 489 Ca 0.13 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.57 1itz n ILE 489 Cb 0.50 -0.31 0.42 0.00 -0.75 0.00 0.00 39.64 39.50 1itz n ILE 489 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1itz n GLU 490 N -3.26 0.16 -0.22 0.38 4.71 -1.26 -1.31 120.64 119.84 1itz n GLU 490 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1itz n GLU 490 Cb 0.00 -1.66 0.12 0.00 -1.01 0.00 0.00 31.44 28.89 1itz n GLU 490 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1itz h HIS 491 N 0.00 0.55 0.09 -0.32 3.86 -1.97 -1.70 115.15 115.67 1itz h HIS 491 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1itz h HIS 491 Cb 0.64 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1itz h HIS 491 CO 0.00 0.19 -0.09 -0.07 0.86 0.00 0.00 177.93 178.82 1itz h LEU 492 N 0.54 -0.24 -1.03 2.43 3.38 -1.97 -2.69 115.31 115.73 1itz h LEU 492 Ca 0.32 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 1itz h LEU 492 Cb 0.34 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1itz h LEU 492 CO -0.26 -0.14 -0.47 -0.37 0.09 0.00 0.00 178.44 177.28 1itz h VAL 493 N -0.20 1.29 0.00 1.22 -1.51 -1.85 -1.19 116.25 114.01 1itz h VAL 493 Ca 0.00 -1.64 -0.01 0.00 -1.23 0.00 0.00 66.70 63.82 1itz h VAL 493 Cb 0.19 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1itz h VAL 493 CO -0.02 0.46 -0.06 0.77 -1.23 0.00 0.00 177.57 177.49 1itz h SER 494 N 0.00 0.00 0.22 4.19 4.64 -1.02 -1.60 113.55 119.98 1itz h SER 494 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1itz h SER 494 Cb 0.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 1itz h SER 494 CO 0.06 0.06 -2.03 0.49 -0.87 0.00 0.00 176.83 174.54 1itz n PHE 495 N -3.63 0.37 0.24 4.77 3.72 -0.91 -3.80 117.46 118.22 1itz n PHE 495 Ca -0.02 0.13 0.09 0.00 -0.05 0.00 0.00 57.45 57.60 1itz n PHE 495 Cb 0.17 -0.98 0.60 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.59 -1.77 114.38 114.02 1itz h ARG 496 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1itz h ARG 496 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1itz h ARG 496 CO 0.04 0.18 -0.11 0.00 -1.07 0.00 0.00 179.97 179.01 1itz h ALA 497 N 1.82 0.94 -2.39 0.04 0.00 -1.45 -3.45 119.26 114.76 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 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1itz h ALA 497 CO 0.02 0.00 0.39 1.41 0.00 0.00 0.00 179.25 181.08 1itz s MET 498 N -3.19 4.53 0.60 0.00 -2.45 -0.67 -5.02 119.30 113.10 1itz s MET 498 Ca 0.07 1.40 -0.19 0.00 -1.25 0.00 0.00 55.69 55.72 1itz s MET 498 Cb 0.08 -3.47 -0.03 0.00 1.25 0.00 0.00 34.83 32.65 1itz s MET 498 CO 0.66 -0.09 1.24 -2.14 1.05 0.00 0.00 175.02 175.75 1itz s PRO 499 N 1.17 2.91 -1.38 4.11 0.02 -1.26 -4.05 135.00 136.52 1itz s PRO 499 Ca 0.51 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 1itz s PRO 499 Cb -0.20 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1itz s PRO 499 CO 0.26 -1.28 0.64 -1.71 -0.33 0.00 0.00 177.00 174.58 1itz n ASN 500 N -1.58 -1.34 -3.72 2.53 5.15 -1.26 -4.77 115.26 110.28 1itz n ASN 500 Ca 0.14 -0.88 -0.13 0.00 -0.60 0.00 0.00 54.58 53.11 1itz n ASN 500 Cb 0.49 -3.67 -0.10 0.00 -0.53 0.00 0.00 39.78 35.96 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 -3.71 -0.00 -0.11 -1.44 2.07 -1.26 -4.18 121.20 112.56 1itz s ILE 501 Ca 0.10 0.02 -0.14 0.00 -1.41 0.00 0.00 60.65 59.21 1itz s ILE 501 Cb -0.05 -0.61 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1itz s ILE 501 CO 0.84 0.01 0.35 -0.76 -1.91 0.00 0.00 174.94 173.47 1itz s LEU 502 N 0.45 4.32 -0.70 8.50 1.43 -0.64 -4.93 118.68 127.12 1itz s LEU 502 Ca -0.02 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1itz s LEU 502 Cb -0.04 -2.47 0.18 0.00 0.03 0.00 0.00 46.19 43.89 1itz s LEU 502 CO -0.02 0.16 0.54 -0.32 0.23 0.00 0.00 176.35 176.95 1itz s MET 503 N -0.02 2.83 -0.04 1.70 -2.45 -1.26 -0.48 119.30 119.58 1itz s MET 503 Ca 0.20 -2.66 -0.17 0.00 -1.25 0.00 0.00 55.69 51.82 1itz s MET 503 Cb -0.14 -3.87 -0.05 0.00 1.25 0.00 0.00 34.83 32.02 1itz s MET 503 CO 0.08 -1.21 0.45 -0.51 1.05 0.00 0.00 175.02 174.88 1itz s LEU 504 N -0.26 4.40 -0.41 4.11 1.43 0.66 -4.47 118.68 124.14 1itz s LEU 504 Ca 0.19 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1itz s LEU 504 Cb -0.17 -2.67 0.17 0.00 0.03 0.00 0.00 46.19 43.55 1itz s LEU 504 CO -0.05 0.19 0.34 -0.60 0.23 0.00 0.00 176.35 176.46 1itz s ARG 505 N -0.41 0.89 0.49 1.70 3.52 -0.69 -0.44 118.95 124.01 1itz s ARG 505 Ca 0.25 -2.08 -0.24 0.00 -0.13 0.00 0.00 55.73 53.53 1itz s ARG 505 Cb -0.16 -1.39 -0.07 0.00 -1.56 0.00 0.00 34.95 31.77 1itz s ARG 505 CO 0.13 -1.39 1.37 -1.25 -0.81 0.00 0.00 175.30 173.35 1itz s PRO 506 N 0.09 3.47 -0.07 5.12 0.04 -1.26 -1.98 135.00 140.42 1itz s PRO 506 Ca 0.33 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.70 1itz s PRO 506 Cb 0.03 -2.47 -0.24 0.00 0.04 0.00 0.00 34.50 31.86 1itz s PRO 506 CO -0.19 -0.94 0.57 0.00 0.04 0.00 0.00 177.00 176.48 1itz h ALA 507 N 1.95 0.64 -2.89 8.56 0.00 -1.90 -3.36 119.26 122.25 1itz h ALA 507 Ca -0.51 -1.43 0.00 0.00 0.00 0.00 0.00 54.91 52.98 1itz h ALA 507 Cb 1.28 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1itz h ALA 507 CO 0.59 1.48 0.00 -0.40 0.00 0.00 0.00 179.25 180.92 1itz n ASP 508 N -3.21 0.00 0.03 0.00 5.68 -1.26 -4.65 116.55 113.13 1itz n ASP 508 Ca -0.22 -0.21 -0.11 0.00 -0.50 0.00 0.00 54.79 53.75 1itz n ASP 508 Cb 1.05 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.97 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 0.02 0.98 6.12 0.00 -1.92 0.15 103.07 108.42 1itz h GLY 509 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1itz h GLY 509 CO 0.00 -0.02 0.27 3.43 0.00 0.00 0.00 176.54 180.22 1itz h ASN 510 N -0.01 0.64 -0.58 0.19 2.35 -1.91 -1.31 115.58 114.95 1itz h ASN 510 Ca 0.02 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1itz h ASN 510 Cb 0.04 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1itz h ASN 510 CO -0.04 0.55 0.03 -0.33 -1.65 0.00 0.00 177.43 175.98 1itz h GLU 511 N 0.68 1.03 -0.03 0.81 5.08 -1.77 -0.18 114.58 120.19 1itz h GLU 511 Ca 0.18 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1itz h GLU 511 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1itz h GLU 511 CO -0.03 0.99 -0.50 1.79 -1.00 0.00 0.00 179.01 180.26 1itz h THR 512 N 0.95 1.36 -0.48 1.13 1.35 -0.42 0.11 112.91 116.91 1itz h THR 512 Ca 0.18 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 1itz h THR 512 Cb 0.51 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1itz h THR 512 CO 0.02 0.50 0.22 0.00 -0.25 0.00 0.00 175.52 176.01 1itz h ALA 513 N 1.42 0.61 -0.36 6.62 0.00 -0.86 -1.35 119.26 125.35 1itz h ALA 513 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1itz h ALA 513 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1itz h ALA 513 CO 0.07 0.19 -0.01 0.78 0.00 0.00 0.00 179.25 180.28 1itz h GLY 514 N 0.63 0.61 1.53 0.00 0.00 -0.48 -1.35 103.07 104.00 1itz h GLY 514 Ca 0.16 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1itz h GLY 514 CO -0.02 0.35 -0.36 0.00 0.00 0.00 0.00 176.54 176.51 1itz h ALA 515 N 1.46 0.94 -0.16 3.60 0.00 -0.38 -2.02 119.26 122.68 1itz h ALA 515 Ca 0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1itz h ALA 515 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1itz h ALA 515 CO 0.01 0.62 -0.50 1.88 0.00 0.00 0.00 179.25 181.26 1itz h TYR 516 N 0.44 0.54 -0.20 0.00 0.05 -0.70 -0.24 116.97 116.87 1itz h TYR 516 Ca 0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1itz h TYR 516 Cb 0.83 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 1itz h TYR 516 CO 0.03 0.86 0.09 -0.22 -1.05 0.00 0.00 178.16 177.86 1itz h LYS 517 N 0.35 0.29 -0.45 4.88 3.64 -0.99 -1.13 116.57 123.16 1itz h LYS 517 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1itz h LYS 517 Cb 1.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1itz h LYS 517 CO 0.09 0.34 0.29 0.28 -2.27 0.00 0.00 179.45 178.17 1itz h VAL 518 N 0.18 1.13 -0.72 2.00 2.07 -1.29 -1.15 116.25 118.47 1itz h VAL 518 Ca 0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1itz h VAL 518 Cb 0.15 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1itz h VAL 518 CO -0.01 0.13 0.36 0.00 0.02 0.00 0.00 177.57 178.08 1itz h ALA 519 N 1.15 1.29 -0.17 1.67 0.00 -0.79 -1.78 119.26 120.64 1itz h ALA 519 Ca 0.16 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1itz h ALA 519 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1itz h ALA 519 CO -0.03 0.56 -0.62 0.28 0.00 0.00 0.00 179.25 179.44 1itz h VAL 520 N 1.01 1.31 -0.33 0.00 2.07 -0.97 -3.18 116.25 116.16 1itz h VAL 520 Ca 0.25 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 1itz h VAL 520 Cb 0.07 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1itz h VAL 520 CO -0.04 0.58 0.06 -0.07 0.02 0.00 0.00 177.57 178.12 1itz h LEU 521 N 0.41 0.44 -7.97 2.57 3.38 -0.98 -3.36 115.31 109.80 1itz h LEU 521 Ca -0.03 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.21 1itz h LEU 521 Cb 1.25 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 1itz h LEU 521 CO 0.13 0.46 1.25 0.20 0.09 0.00 0.00 178.44 180.57 1itz s ASN 522 N -6.75 6.67 0.00 -0.43 -0.87 -0.69 -4.79 114.94 108.09 1itz s ASN 522 Ca -0.07 -2.04 0.28 0.00 -1.57 0.00 0.00 52.86 49.46 1itz s ASN 522 Cb 0.16 -2.47 1.05 0.00 -0.02 0.00 0.00 41.25 39.97 1itz s ASN 522 CO 0.75 -1.17 1.76 0.54 -2.57 0.00 0.00 177.10 176.42 1itz n ARG 523 N 7.32 0.44 -0.11 -0.60 5.12 -1.26 -3.72 116.66 123.86 1itz n ARG 523 Ca 0.31 -0.17 0.04 0.00 -1.93 0.00 0.00 57.85 56.10 1itz n ARG 523 Cb 0.48 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.13 2.92 -3.67 5.56 4.01 -1.26 -2.76 118.16 121.83 1itz n LYS 524 Ca 0.11 -1.86 -0.10 0.00 -0.51 0.00 0.00 58.31 55.95 1itz n LYS 524 Cb 0.30 -1.17 -0.11 0.00 -0.51 0.00 0.00 35.03 33.54 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 -1.02 0.27 0.70 1.97 3.52 -1.24 -4.45 118.95 118.70 1itz s ARG 525 Ca 0.15 0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 56.49 1itz s ARG 525 Cb 0.08 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1itz s ARG 525 CO 0.10 -0.25 1.20 -1.25 -0.81 0.00 0.00 175.30 174.29 1itz s PRO 526 N 2.37 2.32 -0.03 5.12 0.04 -1.23 -4.68 135.00 138.92 1itz s PRO 526 Ca -0.02 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1itz s PRO 526 Cb -0.12 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1itz s PRO 526 CO -0.11 -1.69 -0.14 -1.12 0.04 0.00 0.00 177.00 173.97 1itz s SER 527 N -2.02 1.81 -0.13 6.66 0.01 -0.91 -1.62 113.70 117.52 1itz s SER 527 Ca 0.74 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1itz s SER 527 Cb -0.29 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 1itz s SER 527 CO 0.43 0.14 -0.14 -0.63 0.41 0.00 0.00 173.24 173.45 1itz s ILE 528 N -0.01 2.98 -0.29 1.44 1.01 0.37 -0.31 121.20 126.40 1itz s ILE 528 Ca -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1itz s ILE 528 Cb -0.09 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1itz s ILE 528 CO 0.01 0.53 0.01 -0.76 0.00 0.00 0.00 174.94 174.73 1itz s LEU 529 N 0.32 3.70 -0.41 2.97 1.02 0.12 -0.25 118.68 126.15 1itz s LEU 529 Ca -0.11 -0.98 -0.23 0.00 0.02 0.00 0.00 54.13 52.83 1itz s LEU 529 Cb -0.16 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.31 1itz s LEU 529 CO 0.06 -0.21 0.76 0.00 0.02 0.00 0.00 176.35 176.98 1itz s ALA 530 N 1.36 3.36 0.07 4.21 0.00 0.41 -0.76 121.76 130.40 1itz s ALA 530 Ca -0.01 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1itz s ALA 530 Cb -0.18 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1itz s ALA 530 CO -0.01 -1.70 -0.10 -0.51 0.00 0.00 0.00 175.76 173.44 1itz s LEU 531 N 3.13 3.04 0.46 0.00 1.43 0.11 -4.24 118.68 122.61 1itz s LEU 531 Ca 0.29 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 1itz s LEU 531 Cb -0.13 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1itz s LEU 531 CO 0.20 0.21 0.87 -0.94 0.23 0.00 0.00 176.35 176.92 1itz s SER 532 N -1.93 6.58 -0.11 2.29 1.04 -1.26 -0.70 113.70 119.61 1itz s SER 532 Ca 0.20 1.35 0.02 0.00 0.48 0.00 0.00 55.95 57.99 1itz s SER 532 Cb -0.11 -2.42 -0.24 0.00 0.10 0.00 0.00 66.02 63.35 1itz s SER 532 CO 0.11 -0.49 0.39 -2.11 0.98 0.00 0.00 173.24 172.13 1itz n ARG 533 N -1.42 0.71 -2.49 4.02 -4.01 -1.26 -3.12 116.66 109.09 1itz n ARG 533 Ca 0.04 0.25 -0.30 0.00 -1.04 0.00 0.00 57.85 56.81 1itz n ARG 533 Cb 0.54 -1.71 -0.01 0.00 -3.04 0.00 0.00 32.46 28.24 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 3.68 0.29 2.89 0.00 -1.26 -4.80 119.66 117.90 1itz s GLN 534 Ca -0.17 0.52 -0.29 0.00 -0.00 0.00 0.00 55.36 55.41 1itz s GLN 534 Cb 0.07 -2.28 -0.10 0.00 0.00 0.00 0.00 33.01 30.71 1itz s GLN 534 CO 0.78 -0.25 1.14 0.15 0.00 0.00 0.00 175.29 177.11 1itz s LYS 535 N -4.48 4.57 0.12 9.60 1.02 -1.26 -4.12 119.74 125.19 1itz s LYS 535 Ca 0.52 1.88 0.07 0.00 0.02 0.00 0.00 55.97 58.46 1itz s LYS 535 Cb -0.10 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1itz s LYS 535 CO 0.41 0.12 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.28 1itz s LEU 536 N -1.55 2.37 0.43 3.17 1.02 -0.55 -4.86 118.68 118.71 1itz s LEU 536 Ca 0.46 -0.77 -0.07 0.00 0.02 0.00 0.00 54.13 53.77 1itz s LEU 536 Cb -0.33 -0.72 -0.05 0.00 0.02 0.00 0.00 46.19 45.11 1itz s LEU 536 CO 0.43 -0.05 0.75 -2.16 0.02 0.00 0.00 176.35 175.34 1itz s PRO 537 N -2.40 3.64 0.03 1.29 0.04 -1.26 -1.68 135.00 134.66 1itz s PRO 537 Ca 0.09 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 1itz s PRO 537 Cb -0.07 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1itz s PRO 537 CO 0.04 -0.09 0.89 -1.01 0.04 0.00 0.00 177.00 176.87 1itz s HIS 538 N -2.52 3.71 0.16 0.56 3.76 -1.26 -4.74 115.29 114.96 1itz s HIS 538 Ca 0.48 1.61 0.04 0.00 -0.15 0.00 0.00 55.06 57.05 1itz s HIS 538 Cb -0.10 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 1itz s HIS 538 CO 0.38 0.13 0.18 -0.51 -0.85 0.00 0.00 174.74 174.06 1itz s LEU 539 N 0.47 3.94 0.26 0.89 1.43 -1.26 -4.51 118.68 119.90 1itz s LEU 539 Ca 0.46 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1itz s LEU 539 Cb -0.21 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 1itz s LEU 539 CO 0.26 0.06 0.98 -2.84 0.23 0.00 0.00 176.35 175.05 1itz s PRO 540 N -3.15 4.75 0.00 1.29 0.02 -1.26 -3.68 135.00 132.97 1itz s PRO 540 Ca 0.32 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1itz s PRO 540 Cb -0.10 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1itz s PRO 540 CO 0.25 0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.72 1itz n GLY 541 N 1.28 3.11 3.78 0.52 0.00 -1.26 -4.75 105.19 107.88 1itz n GLY 541 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.81 3.81 0.16 2.61 -4.23 -1.24 -4.68 115.64 109.25 1itz s THR 542 Ca 0.00 1.45 -0.20 0.00 -1.18 0.00 0.00 61.69 61.76 1itz s THR 542 Cb 0.00 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.11 1itz s THR 542 CO 0.00 0.07 0.54 -0.94 -0.54 0.00 0.00 174.62 173.75 1itz s SER 543 N -1.51 -0.43 0.16 3.99 1.04 -1.26 -4.90 113.70 110.79 1itz s SER 543 Ca 0.55 -0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.66 1itz s SER 543 Cb -0.22 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1itz s SER 543 CO 0.28 -0.95 1.82 0.40 0.98 0.00 0.00 173.24 175.76 1itz h ILE 544 N 2.13 1.08 -0.38 -1.02 5.03 -1.95 -2.75 117.51 119.66 1itz h ILE 544 Ca -0.33 -0.20 -0.01 0.00 -0.12 0.00 0.00 64.86 64.20 1itz h ILE 544 Cb 1.29 0.46 -0.02 0.00 -3.03 0.00 0.00 36.82 35.52 1itz h ILE 544 CO 0.40 0.11 0.20 -0.33 -0.68 0.00 0.00 178.15 177.85 1itz h GLU 545 N 0.58 0.51 -0.70 2.37 3.07 -1.96 -2.53 114.58 115.92 1itz h GLU 545 Ca 0.17 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1itz h GLU 545 Cb -0.03 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 1itz h GLU 545 CO -0.06 0.38 0.23 0.78 -1.40 0.00 0.00 179.01 178.95 1itz h GLY 546 N 0.60 1.15 0.85 -3.84 0.00 -1.88 -2.99 103.07 96.97 1itz h GLY 546 Ca 0.13 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.84 1itz h GLY 546 CO -0.02 0.63 0.59 -2.08 0.00 0.00 0.00 176.54 175.65 1itz h VAL 547 N 1.02 1.13 -0.02 4.60 2.07 -1.37 -1.12 116.25 122.57 1itz h VAL 547 Ca 0.23 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1itz h VAL 547 Cb 0.28 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1itz h VAL 547 CO -0.01 0.21 0.07 -0.33 0.02 0.00 0.00 177.57 177.53 1itz h GLU 548 N 1.12 0.00 0.00 1.57 5.08 -1.49 0.13 114.58 121.00 1itz h GLU 548 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1itz h GLU 548 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1itz h GLU 548 CO -0.13 0.00 -0.57 1.63 -1.00 0.00 0.00 179.01 178.94 1itz n LYS 549 N -3.22 0.12 0.00 2.33 4.01 -0.43 -4.87 118.16 116.10 1itz n LYS 549 Ca -0.02 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1itz n LYS 549 Cb 0.14 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 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 1.44 1.39 2.83 0.72 0.00 0.47 -2.87 105.19 109.17 1itz n GLY 550 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 0.55 0.09 -0.02 0.00 -1.26 -1.29 107.32 105.39 1itz s GLY 551 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.39 1itz s GLY 551 CO 0.00 0.88 0.30 -2.52 0.00 0.00 0.00 173.10 171.77 1itz s TYR 552 N 1.64 -0.06 -0.04 1.90 1.13 -0.46 -4.95 117.35 116.51 1itz s TYR 552 Ca 0.01 -0.23 -0.29 0.00 -1.41 0.00 0.00 57.07 55.14 1itz s TYR 552 Cb -0.13 0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 1itz s TYR 552 CO -0.04 -0.59 0.97 0.99 -2.51 0.00 0.00 175.55 174.37 1itz s THR 553 N -3.40 4.85 -0.04 -3.49 2.01 -1.26 -0.51 115.64 113.80 1itz s THR 553 Ca 0.01 2.02 0.17 0.00 0.31 0.00 0.00 61.69 64.20 1itz s THR 553 Cb 0.02 -4.30 -0.27 0.00 0.01 0.00 0.00 72.50 67.96 1itz s THR 553 CO -0.09 0.11 0.36 2.30 -0.69 0.00 0.00 174.62 176.61 1itz n ILE 554 N 4.11 0.09 -3.64 1.82 -5.35 -0.15 -4.94 119.36 111.30 1itz n ILE 554 Ca 0.06 -0.42 -0.14 0.00 -0.27 0.00 0.00 62.75 61.98 1itz n ILE 554 Cb 0.50 0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.37 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 -4.09 -0.71 -0.26 7.28 1.04 -1.22 -4.08 113.70 111.65 1itz s SER 555 Ca -0.07 1.37 -0.17 0.00 0.48 0.00 0.00 55.95 57.56 1itz s SER 555 Cb 0.11 1.38 0.07 0.00 0.10 0.00 0.00 66.02 67.68 1itz s SER 555 CO 0.72 -0.24 0.66 -0.62 0.98 0.00 0.00 173.24 174.75 1itz s ASP 556 N 0.39 -0.85 -0.15 7.02 3.68 -1.26 -0.81 116.67 124.69 1itz s ASP 556 Ca -0.00 1.43 0.14 0.00 2.13 0.00 0.00 52.55 56.25 1itz s ASP 556 Cb -0.05 1.34 0.38 0.00 -1.45 0.00 0.00 42.92 43.14 1itz s ASP 556 CO 0.00 -0.24 1.19 -0.46 0.13 0.00 0.00 175.17 175.80 1itz n ASN 557 N 3.89 1.61 -4.99 -0.34 6.94 -1.22 -5.02 115.26 116.13 1itz n ASN 557 Ca -0.19 -3.35 -0.20 0.00 -0.02 0.00 0.00 54.58 50.82 1itz n ASN 557 Cb 0.58 -0.46 0.02 0.00 -2.36 0.00 0.00 39.78 37.56 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 -2.86 5.18 0.08 0.53 1.04 -1.26 -4.73 113.70 111.68 1itz s SER 558 Ca 0.35 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 56.02 1itz s SER 558 Cb 0.34 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1itz s SER 558 CO -0.07 -1.04 -0.07 0.42 0.98 0.00 0.00 173.24 173.46 1itz s THR 559 N -2.56 0.59 -1.72 2.02 -4.23 -1.26 -4.84 115.64 103.64 1itz s THR 559 Ca 0.54 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1itz s THR 559 Cb -0.06 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1itz s THR 559 CO 0.33 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1itz n GLY 560 N 0.47 1.14 3.93 3.99 0.00 -1.26 -2.86 105.19 110.60 1itz n GLY 560 Ca -0.16 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.91 -3.09 -3.16 1.61 5.15 -1.26 -4.92 115.26 108.68 1itz n ASN 561 Ca -0.18 -0.86 -0.22 0.00 -0.60 0.00 0.00 54.58 52.72 1itz n ASN 561 Cb 0.59 -3.59 -0.06 0.00 -0.53 0.00 0.00 39.78 36.19 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 -4.51 0.63 -1.40 1.20 4.81 -1.14 -4.81 118.16 112.95 1itz n LYS 562 Ca -0.08 -3.00 -0.31 0.00 -0.87 0.00 0.00 58.31 54.05 1itz n LYS 562 Cb 0.58 -1.32 0.08 0.00 0.02 0.00 0.00 35.03 34.38 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 -0.70 2.43 0.15 1.64 0.04 -1.26 -4.66 135.00 132.63 1itz s PRO 563 Ca 0.34 1.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 1itz s PRO 563 Cb 0.15 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1itz s PRO 563 CO -0.14 -1.48 1.40 -0.44 0.04 0.00 0.00 177.00 176.39 1itz h ASP 564 N -1.00 0.70 -3.76 6.66 3.32 -1.51 -3.46 116.42 117.38 1itz h ASP 564 Ca -0.44 -0.44 -0.25 0.00 0.02 0.00 0.00 57.03 55.91 1itz h ASP 564 Cb 1.23 -0.21 -0.28 0.00 0.22 0.00 0.00 39.33 40.29 1itz h ASP 564 CO 0.54 1.20 -0.73 -0.22 -1.72 0.00 0.00 179.24 178.31 1itz s LEU 565 N -8.24 1.96 -0.15 1.55 0.20 -0.89 -4.56 118.68 108.56 1itz s LEU 565 Ca -0.08 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.72 1itz s LEU 565 Cb 0.10 -0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.79 1itz s LEU 565 CO 0.87 0.01 -0.14 -0.63 -0.29 0.00 0.00 176.35 176.16 1itz s ILE 566 N 0.02 2.81 -0.13 6.68 1.01 -0.53 -1.60 121.20 129.46 1itz s ILE 566 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1itz s ILE 566 Cb -0.01 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1itz s ILE 566 CO -0.00 0.52 -0.21 -0.69 0.00 0.00 0.00 174.94 174.55 1itz s VAL 567 N 0.64 2.22 0.06 2.92 1.01 0.22 -1.38 120.40 126.09 1itz s VAL 567 Ca -0.08 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1itz s VAL 567 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1itz s VAL 567 CO 0.03 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.48 1itz s MET 568 N 0.59 1.20 0.38 2.72 0.23 0.80 -0.69 119.30 124.52 1itz s MET 568 Ca -0.12 -0.94 -0.06 0.00 -1.03 0.00 0.00 55.69 53.54 1itz s MET 568 Cb -0.17 -1.32 0.02 0.00 -1.53 0.00 0.00 34.83 31.84 1itz s MET 568 CO 0.03 0.33 0.60 0.20 -2.03 0.00 0.00 175.02 174.15 1itz s GLY 569 N -1.33 1.20 0.06 3.16 0.00 -0.88 -0.97 107.32 108.56 1itz s GLY 569 Ca 0.05 -1.32 -0.08 0.00 0.00 0.00 0.00 44.72 43.38 1itz s GLY 569 CO 0.02 -0.78 0.15 -0.51 0.00 0.00 0.00 173.10 171.98 1itz s THR 570 N -2.61 0.14 0.00 0.90 -4.23 -1.25 -1.73 115.64 106.87 1itz s THR 570 Ca 0.26 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1itz s THR 570 Cb -0.02 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1itz s THR 570 CO 0.19 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1itz n GLY 571 N 0.29 2.24 0.12 3.99 0.00 -0.84 -1.12 105.19 109.87 1itz n GLY 571 Ca -0.17 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.36 0.43 -0.07 1.61 3.41 -1.26 -1.64 113.62 116.46 1itz n SER 572 Ca 0.00 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1itz n SER 572 Cb 0.00 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.07 0.21 -0.28 4.33 4.71 -0.28 -4.10 120.64 123.16 1itz n GLU 573 Ca -0.01 -0.14 -0.05 0.00 -0.01 0.00 0.00 57.16 56.94 1itz n GLU 573 Cb 0.04 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.05 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 0.35 1.08 -0.93 -4.62 5.85 -1.22 -1.75 115.31 114.08 1itz h LEU 574 Ca 0.00 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1itz h LEU 574 Cb 0.52 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1itz h LEU 574 CO 0.00 0.96 0.59 -0.08 -0.34 0.00 0.00 178.44 179.57 1itz h GLU 575 N 1.14 1.04 -0.53 1.25 4.81 -1.75 0.24 114.58 120.78 1itz h GLU 575 Ca 0.26 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1itz h GLU 575 Cb 0.22 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1itz h GLU 575 CO -0.02 0.69 -0.11 0.82 -0.73 0.00 0.00 179.01 179.66 1itz h ILE 576 N 1.07 1.27 -0.68 2.32 2.04 -1.63 -1.63 117.51 120.27 1itz h ILE 576 Ca 0.40 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 1itz h ILE 576 Cb 0.16 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1itz h ILE 576 CO -0.17 0.44 0.19 0.00 0.00 0.00 0.00 178.15 178.61 1itz h ALA 577 N 0.92 1.05 -0.13 1.87 0.00 -0.29 -1.83 119.26 120.84 1itz h ALA 577 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1itz h ALA 577 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1itz h ALA 577 CO 0.05 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.98 1itz h ALA 578 N 1.18 0.17 -0.98 0.00 0.00 -0.36 -1.33 119.26 117.94 1itz h ALA 578 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1itz h ALA 578 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1itz h ALA 578 CO -0.00 -0.22 0.65 -0.22 0.00 0.00 0.00 179.25 179.45 1itz h LYS 579 N 0.04 1.28 -0.25 0.00 1.63 -1.21 -1.72 116.57 116.33 1itz h LYS 579 Ca 0.04 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 1itz h LYS 579 Cb 0.20 -0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1itz h LYS 579 CO -0.00 0.85 -0.33 0.00 -3.45 0.00 0.00 179.45 176.52 1itz h ALA 580 N 1.39 0.96 -0.46 5.00 0.00 -1.13 -2.81 119.26 122.22 1itz h ALA 580 Ca 0.37 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1itz h ALA 580 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1itz h ALA 580 CO -0.09 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.93 1itz h ALA 581 N 1.19 0.61 -0.36 0.00 0.00 -0.40 -1.92 119.26 118.38 1itz h ALA 581 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1itz h ALA 581 Cb 0.79 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1itz h ALA 581 CO 0.06 0.25 0.14 -0.44 0.00 0.00 0.00 179.25 179.27 1itz h ASP 582 N 0.61 0.18 -0.48 0.00 3.45 -1.25 -0.51 116.42 118.42 1itz h ASP 582 Ca 0.15 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.70 1itz h ASP 582 Cb 0.25 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.97 1itz h ASP 582 CO -0.01 0.14 0.19 -0.08 -1.57 0.00 0.00 179.24 177.92 1itz h GLU 583 N 0.31 0.37 0.00 3.56 4.57 -1.32 -2.37 114.58 119.70 1itz h GLU 583 Ca 0.16 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 1itz h GLU 583 Cb 0.11 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1itz h GLU 583 CO -0.14 0.25 -0.48 -0.07 -1.18 0.00 0.00 179.01 177.39 1itz h LEU 584 N 0.38 0.00 -1.18 1.64 3.38 -0.79 -2.91 115.31 115.84 1itz h LEU 584 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1itz h LEU 584 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1itz h LEU 584 CO -0.21 0.48 -0.35 0.03 0.09 0.00 0.00 178.44 178.47 1itz h ARG 585 N 0.00 0.00 -0.50 1.13 3.08 -0.59 -2.35 114.38 115.15 1itz h ARG 585 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1itz h ARG 585 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1itz h ARG 585 CO 0.06 0.35 0.17 0.87 -1.07 0.00 0.00 179.97 180.36 1itz h LYS 586 N 0.00 0.72 0.00 0.04 1.57 -1.28 -0.09 116.57 117.53 1itz h LYS 586 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1itz h LYS 586 Cb 0.75 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1itz h LYS 586 CO 0.05 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 179.93 1itz n GLU 587 N -4.33 0.98 -0.83 3.15 1.02 -0.90 -4.87 120.64 114.87 1itz n GLU 587 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1itz n GLU 587 Cb 0.17 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.54 0.53 3.87 0.62 0.00 -0.05 -5.06 105.19 105.65 1itz n GLY 588 Ca 0.03 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.05 3.78 -0.21 1.61 -0.14 -1.13 -5.03 119.74 117.58 1itz s LYS 589 Ca 0.00 0.22 -0.14 0.00 -1.36 0.00 0.00 55.97 54.69 1itz s LYS 589 Cb 0.00 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 1itz s LYS 589 CO 0.00 0.39 0.30 0.95 -0.76 0.00 0.00 175.35 176.24 1itz s THR 590 N -1.69 5.27 -0.06 2.17 -4.23 -1.26 -4.22 115.64 111.62 1itz s THR 590 Ca 0.43 0.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1itz s THR 590 Cb -0.12 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1itz s THR 590 CO 0.21 0.30 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.80 1itz s VAL 591 N 1.10 1.03 -0.21 2.29 1.01 -1.26 -1.12 120.40 123.23 1itz s VAL 591 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1itz s VAL 591 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1itz s VAL 591 CO 0.06 0.33 0.10 -0.60 0.00 0.00 0.00 175.10 174.99 1itz s ARG 592 N 0.62 3.98 -0.23 2.72 3.52 -0.63 -3.40 118.95 125.53 1itz s ARG 592 Ca -0.13 -0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1itz s ARG 592 Cb -0.15 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1itz s ARG 592 CO 0.03 0.14 0.07 0.08 -0.81 0.00 0.00 175.30 174.81 1itz s VAL 593 N 0.77 4.44 -0.11 7.11 1.01 0.01 -0.61 120.40 133.02 1itz s VAL 593 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1itz s VAL 593 Cb -0.13 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1itz s VAL 593 CO 0.02 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1itz s VAL 594 N 1.30 3.50 -0.17 2.92 1.01 0.13 -0.98 120.40 128.12 1itz s VAL 594 Ca 0.05 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1itz s VAL 594 Cb -0.15 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1itz s VAL 594 CO 0.04 0.54 0.27 -0.55 0.00 0.00 0.00 175.10 175.39 1itz s SER 595 N -0.07 6.40 -0.61 3.32 0.15 0.34 -2.07 113.70 121.15 1itz s SER 595 Ca -0.00 0.46 0.03 0.00 0.70 0.00 0.00 55.95 57.14 1itz s SER 595 Cb -0.13 -2.17 0.38 0.00 -1.71 0.00 0.00 66.02 62.39 1itz s SER 595 CO 0.03 0.11 1.37 0.49 1.20 0.00 0.00 173.24 176.44 1itz n PHE 596 N 3.57 3.36 -0.40 3.44 3.01 -0.71 -1.36 117.46 128.38 1itz n PHE 596 Ca -0.12 -3.01 0.33 0.00 1.01 0.00 0.00 57.45 55.65 1itz n PHE 596 Cb 0.52 -0.51 0.60 0.00 -0.01 0.00 0.00 39.48 40.08 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 2.47 0.18 -2.61 -4.37 2.07 -1.61 -3.38 116.25 108.99 1itz h VAL 597 Ca 0.36 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.71 1itz h VAL 597 Cb 0.58 0.02 -0.28 0.00 -1.52 0.00 0.00 31.29 30.10 1itz h VAL 597 CO 1.02 0.03 -0.36 -0.55 0.02 0.00 0.00 177.57 177.73 1itz s SER 598 N -4.63 -0.30 0.08 0.57 0.15 -0.41 -1.71 113.70 107.45 1itz s SER 598 Ca -0.08 0.91 -0.20 0.00 0.70 0.00 0.00 55.95 57.27 1itz s SER 598 Cb 0.30 1.04 -0.10 0.00 -1.71 0.00 0.00 66.02 65.56 1itz s SER 598 CO 0.81 -0.22 1.56 -0.50 1.20 0.00 0.00 173.24 176.09 1itz h TRP 599 N 7.76 0.34 -0.43 3.44 4.06 -1.80 -3.00 115.95 126.31 1itz h TRP 599 Ca -0.24 -0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.75 1itz h TRP 599 Cb 1.14 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 29.12 1itz h TRP 599 CO 0.28 0.45 -0.13 0.93 -3.56 0.00 0.00 178.44 176.42 1itz h GLU 600 N 0.13 -0.02 -0.65 0.49 3.07 -1.93 -0.61 114.58 115.05 1itz h GLU 600 Ca 0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 1itz h GLU 600 Cb 0.29 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1itz h GLU 600 CO 0.00 -0.01 0.10 -0.07 -1.40 0.00 0.00 179.01 177.62 1itz h LEU 601 N -0.02 1.03 -0.53 1.33 4.07 -1.87 -2.67 115.31 116.65 1itz h LEU 601 Ca 0.21 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 1itz h LEU 601 Cb 0.34 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1itz h LEU 601 CO -0.46 1.02 0.10 0.15 -1.08 0.00 0.00 178.44 178.17 1itz h PHE 602 N 1.00 0.92 0.00 1.13 3.57 -1.26 -2.72 116.94 119.57 1itz h PHE 602 Ca 0.20 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1itz h PHE 602 Cb 0.44 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1itz h PHE 602 CO 0.03 0.82 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.35 1itz h ASP 603 N 0.75 0.00 1.36 0.41 3.32 -0.97 -1.77 116.42 119.52 1itz h ASP 603 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1itz h ASP 603 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1itz h ASP 603 CO 0.01 0.14 0.00 -0.33 -1.72 0.00 0.00 179.24 177.34 1itz h GLU 604 N 0.00 0.00 -7.36 3.56 5.08 -1.17 -3.46 114.58 111.24 1itz h GLU 604 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1itz h GLU 604 Cb 0.29 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.69 1itz h GLU 604 CO 0.02 0.00 0.25 -0.65 -1.00 0.00 0.00 179.01 177.63 1itz s GLN 605 N -3.23 1.19 0.69 2.33 -1.52 -0.67 -5.02 119.66 113.43 1itz s GLN 605 Ca 0.07 0.71 -0.13 0.00 -1.95 0.00 0.00 55.36 54.07 1itz s GLN 605 Cb 0.10 -1.81 0.01 0.00 -0.22 0.00 0.00 33.01 31.09 1itz s GLN 605 CO 0.56 -2.26 1.09 -1.54 -0.25 0.00 0.00 175.29 172.89 1itz s SER 606 N -3.52 5.10 0.42 5.90 1.04 -1.26 -4.84 113.70 116.54 1itz s SER 606 Ca 0.63 1.85 0.08 0.00 0.48 0.00 0.00 55.95 59.00 1itz s SER 606 Cb -0.17 -2.53 0.90 0.00 0.10 0.00 0.00 66.02 64.32 1itz s SER 606 CO 0.57 -1.63 2.06 0.44 0.98 0.00 0.00 173.24 175.65 1itz h ASP 607 N -0.36 0.43 -0.20 7.02 3.45 -1.96 -0.71 116.42 124.10 1itz h ASP 607 Ca -0.45 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 56.98 1itz h ASP 607 Cb 1.23 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 1itz h ASP 607 CO 0.54 0.31 0.05 -0.33 -1.57 0.00 0.00 179.24 178.24 1itz h GLU 608 N 0.51 0.31 -0.22 3.56 3.07 -1.99 -1.32 114.58 118.50 1itz h GLU 608 Ca 0.15 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1itz h GLU 608 Cb -0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1itz h GLU 608 CO -0.03 0.43 0.14 -0.92 -1.40 0.00 0.00 179.01 177.23 1itz h TYR 609 N 0.13 0.28 -0.48 4.33 3.20 -1.67 -1.69 116.97 121.06 1itz h TYR 609 Ca 0.06 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.99 1itz h TYR 609 Cb 0.26 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1itz h TYR 609 CO 0.01 0.19 0.21 0.87 -1.64 0.00 0.00 178.16 177.80 1itz h LYS 610 N 0.28 0.40 0.00 1.82 1.57 -1.05 -0.44 116.57 119.15 1itz h LYS 610 Ca 0.08 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1itz h LYS 610 Cb -0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1itz h LYS 610 CO -0.02 0.26 -0.12 1.49 -0.57 0.00 0.00 179.45 180.50 1itz h GLU 611 N 0.41 0.00 0.00 3.15 4.57 -1.00 0.11 114.58 121.82 1itz h GLU 611 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1itz h GLU 611 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1itz h GLU 611 CO -0.19 0.12 0.00 0.66 -1.18 0.00 0.00 179.01 178.42 1itz h SER 612 N 0.00 0.00 0.00 1.04 4.64 -0.13 -3.04 113.55 116.06 1itz h SER 612 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 1itz h SER 612 Cb 0.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 1itz h SER 612 CO 0.02 0.00 -2.25 0.52 -0.87 0.00 0.00 176.83 174.25 1itz n VAL 613 N -2.42 1.23 -3.87 0.95 0.31 -0.53 -4.79 118.33 109.22 1itz n VAL 613 Ca 0.04 -0.36 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 1itz n VAL 613 Cb 0.36 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 31.53 1itz n VAL 613 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1itz s LEU 614 N -6.95 4.86 0.17 7.52 1.43 0.28 -5.02 118.68 120.97 1itz s LEU 614 Ca -0.31 -3.68 -0.32 0.00 -1.03 0.00 0.00 54.13 48.80 1itz s LEU 614 Cb 0.11 -1.68 -0.11 0.00 0.03 0.00 0.00 46.19 44.54 1itz s LEU 614 CO 0.42 -0.13 1.75 -2.16 0.23 0.00 0.00 176.35 176.47 1itz s PRO 615 N -1.22 4.14 0.51 1.29 0.04 -1.15 -4.47 135.00 134.13 1itz s PRO 615 Ca 0.24 2.58 0.27 0.00 0.04 0.00 0.00 61.00 64.12 1itz s PRO 615 Cb -0.09 -3.30 1.37 0.00 0.04 0.00 0.00 34.50 32.52 1itz s PRO 615 CO -0.13 -0.78 1.91 0.00 0.04 0.00 0.00 177.00 178.04 1itz h ALA 616 N 7.55 2.61 0.00 8.56 0.00 -1.93 -0.23 119.26 135.82 1itz h ALA 616 Ca -0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1itz h ALA 616 Cb 1.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1itz h ALA 616 CO 0.95 -0.85 -0.27 0.00 0.00 0.00 0.00 179.25 179.08 1itz h ALA 617 N 1.61 1.03 -2.27 0.00 0.00 -1.94 -3.41 119.26 114.27 1itz h ALA 617 Ca 0.39 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.46 1itz h ALA 617 Cb 1.41 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1itz h ALA 617 CO -0.05 0.33 0.39 0.08 0.00 0.00 0.00 179.25 180.01 1itz s VAL 618 N -3.66 4.81 -0.11 0.00 1.01 -0.10 -4.90 120.40 117.45 1itz s VAL 618 Ca 0.00 1.25 0.20 0.00 0.00 0.00 0.00 61.98 63.43 1itz s VAL 618 Cb 0.11 -4.13 -0.27 0.00 0.00 0.00 0.00 36.38 32.09 1itz s VAL 618 CO 0.65 -0.20 0.42 0.41 0.00 0.00 0.00 175.10 176.38 1itz n THR 619 N 5.46 0.63 -2.54 3.92 -1.04 -1.26 -4.81 114.28 114.65 1itz n THR 619 Ca 0.04 -0.64 -0.40 0.00 -2.04 0.00 0.00 64.05 61.00 1itz n THR 619 Cb 0.48 -0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 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 -3.10 2.67 0.02 2.41 0.00 -1.26 -4.22 121.76 118.28 1itz s ALA 620 Ca -0.08 -2.24 0.08 0.00 0.00 0.00 0.00 51.96 49.73 1itz s ALA 620 Cb 0.10 -4.53 -0.02 0.00 0.00 0.00 0.00 23.12 18.67 1itz s ALA 620 CO 0.87 -3.67 -0.24 1.03 0.00 0.00 0.00 175.76 173.74 1itz s ARG 621 N 5.07 1.72 -0.02 0.00 0.52 -1.26 -1.45 118.95 123.52 1itz s ARG 621 Ca 0.47 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1itz s ARG 621 Cb -0.00 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.68 1itz s ARG 621 CO -0.09 0.47 -0.04 0.42 0.02 0.00 0.00 175.30 176.08 1itz s ILE 622 N -0.72 0.42 0.07 1.52 1.01 -0.48 -0.52 121.20 122.50 1itz s ILE 622 Ca 0.10 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1itz s ILE 622 Cb -0.09 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1itz s ILE 622 CO 0.01 0.15 -0.23 -0.94 0.00 0.00 0.00 174.94 173.94 1itz s SER 623 N 0.33 2.75 -0.03 3.58 1.04 -0.45 -0.14 113.70 120.78 1itz s SER 623 Ca -0.04 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1itz s SER 623 Cb -0.07 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1itz s SER 623 CO -0.00 0.15 0.01 -0.51 0.98 0.00 0.00 173.24 173.87 1itz s ILE 624 N -0.94 0.13 -0.28 -1.02 2.07 -0.14 -0.04 121.20 120.98 1itz s ILE 624 Ca 0.09 0.12 -0.16 0.00 -1.41 0.00 0.00 60.65 59.29 1itz s ILE 624 Cb -0.10 -0.25 0.09 0.00 0.13 0.00 0.00 42.46 42.34 1itz s ILE 624 CO 0.03 0.14 0.72 -0.70 -1.91 0.00 0.00 174.94 173.23 1itz s GLU 625 N 1.11 0.68 -1.16 3.50 2.12 -0.92 -3.79 118.70 120.23 1itz s GLU 625 Ca -0.09 1.16 -0.19 0.00 0.36 0.00 0.00 54.97 56.21 1itz s GLU 625 Cb -0.13 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 1itz s GLU 625 CO -0.02 -0.14 1.95 0.00 -0.54 0.00 0.00 175.26 176.51 1itz n ALA 626 N 4.20 3.52 -4.02 6.30 0.00 -1.26 -4.21 120.51 125.05 1itz n ALA 626 Ca -0.20 -3.50 0.03 0.00 0.00 0.00 0.00 53.44 49.77 1itz n ALA 626 Cb 0.59 -3.57 0.01 0.00 0.00 0.00 0.00 19.45 16.48 1itz n ALA 626 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1itz s GLY 627 N 4.75 -0.13 0.37 0.00 0.00 -1.26 -4.71 107.32 106.35 1itz s GLY 627 Ca 0.57 0.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.06 1itz s GLY 627 CO 0.07 6.12 0.94 -1.26 0.00 0.00 0.00 173.10 178.96 1itz n SER 628 N -1.07 0.94 -0.07 1.64 2.88 -0.43 -0.21 113.62 117.30 1itz n SER 628 Ca 0.05 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 1itz n SER 628 Cb 0.58 -1.29 0.36 0.00 -0.75 0.00 0.00 64.21 63.11 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 -0.28 0.00 -1.69 2.46 -2.24 -1.26 -4.78 114.28 106.49 1itz n THR 629 Ca 0.10 -0.03 -0.44 0.00 -2.27 0.00 0.00 64.05 61.40 1itz n THR 629 Cb 0.36 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.26 3.50 0.00 3.22 7.94 -1.26 -2.23 117.00 126.92 1itz n LEU 630 Ca 0.08 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1itz n LEU 630 Cb 0.33 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1itz n LEU 630 CO 0.31 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 1itz n GLY 631 N 3.69 3.16 0.16 -3.96 0.00 -1.26 -4.89 105.19 102.08 1itz n GLY 631 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1itz n GLY 631 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1itz n TRP 632 N -0.89 0.80 0.29 1.61 7.02 -0.95 -2.05 117.44 123.27 1itz n TRP 632 Ca 0.00 0.37 0.14 0.00 -1.02 0.00 0.00 57.50 56.99 1itz n TRP 632 Cb 0.00 -1.10 0.86 0.00 -2.42 0.00 0.00 31.31 28.65 1itz n TRP 632 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1itz h GLN 633 N 0.00 0.00 0.00 -0.99 7.50 -1.89 -0.09 115.11 119.64 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 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1itz h GLN 633 CO 0.00 0.04 0.00 1.57 -1.50 0.00 0.00 178.83 178.94 1itz h LYS 634 N 0.00 0.00 0.00 1.46 2.10 -1.76 -2.26 116.57 116.11 1itz h LYS 634 Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1itz h LYS 634 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1itz h LYS 634 CO 0.00 0.00 -1.50 0.66 -2.00 0.00 0.00 179.45 176.62 1itz n TYR 635 N -2.80 0.00 0.91 0.07 4.01 -0.51 -4.61 117.16 114.23 1itz n TYR 635 Ca 0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1itz n TYR 635 Cb 0.27 -0.35 0.46 0.00 -0.31 0.00 0.00 39.34 39.41 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 -2.45 0.12 -0.20 -0.72 0.24 -0.17 -5.01 118.33 110.14 1itz n VAL 636 Ca -0.13 -0.07 0.03 0.00 -2.04 0.00 0.00 64.34 62.13 1itz n VAL 636 Cb 0.71 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 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 1.46 -1.50 0.18 7.63 0.00 -0.85 -2.45 105.19 109.66 1itz n GLY 637 Ca 0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.19 0.88 -0.01 4.61 0.00 -1.94 -2.91 119.26 119.70 1itz h ALA 638 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1itz h ALA 638 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1itz h ALA 638 CO 0.00 0.69 -0.18 1.04 0.00 0.00 0.00 179.25 180.81 1itz n GLN 639 N -3.92 1.28 -1.75 0.00 3.00 -1.26 -4.95 117.38 109.78 1itz n GLN 639 Ca -0.02 -0.84 -0.29 0.00 -0.01 0.00 0.00 57.00 55.84 1itz n GLN 639 Cb 0.59 -1.48 0.11 0.00 0.00 0.00 0.00 30.24 29.45 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 -2.29 1.58 -0.07 1.08 0.00 -1.02 -4.76 107.32 101.84 1itz s GLY 640 Ca 0.28 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.43 1itz s GLY 640 CO 0.45 -0.08 -0.15 1.25 0.00 0.00 0.00 173.10 174.56 1itz s LYS 641 N -5.46 1.98 -0.20 2.90 2.20 0.32 -4.90 119.74 116.58 1itz s LYS 641 Ca 0.63 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 55.65 1itz s LYS 641 Cb -0.12 -1.60 -0.03 0.00 -1.51 0.00 0.00 37.83 34.57 1itz s LYS 641 CO 0.51 0.08 0.03 0.00 -0.36 0.00 0.00 175.35 175.60 1itz s ALA 642 N 0.55 3.13 -0.23 3.13 0.00 -1.26 -1.34 121.76 125.73 1itz s ALA 642 Ca -0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1itz s ALA 642 Cb -0.16 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1itz s ALA 642 CO 0.05 -0.13 0.04 0.42 0.00 0.00 0.00 175.76 176.13 1itz s ILE 643 N 0.97 4.11 0.00 0.00 1.01 0.95 -4.94 121.20 123.29 1itz s ILE 643 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1itz s ILE 643 Cb -0.14 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1itz s ILE 643 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1itz n GLY 644 N 4.75 2.68 2.94 6.18 0.00 -1.26 -2.17 105.19 118.30 1itz n GLY 644 Ca -0.17 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.66 1.29 -0.34 -0.61 1.01 0.71 -4.87 121.20 115.73 1itz s ILE 645 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1itz s ILE 645 Cb 0.00 -1.37 0.45 0.00 0.01 0.00 0.00 42.46 41.55 1itz s ILE 645 CO 0.00 0.23 1.21 0.47 0.00 0.00 0.00 174.94 176.85 1itz n ASP 646 N 4.83 5.01 -3.79 3.58 8.00 -1.26 -2.21 116.55 130.70 1itz n ASP 646 Ca -0.13 -3.75 -0.10 0.00 0.71 0.00 0.00 54.79 51.52 1itz n ASP 646 Cb 0.48 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 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 -3.60 1.64 0.76 -1.24 -2.85 -1.26 -5.09 119.74 108.10 1itz s LYS 647 Ca 0.51 -1.39 -0.11 0.00 -1.00 0.00 0.00 55.97 53.97 1itz s LYS 647 Cb 0.41 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.69 1itz s LYS 647 CO -0.02 -0.68 1.09 -0.06 0.10 0.00 0.00 175.35 175.78 1itz s PHE 648 N -3.73 2.94 0.00 1.78 0.08 -1.26 -4.97 117.98 112.82 1itz s PHE 648 Ca 0.25 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1itz s PHE 648 Cb -0.00 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1itz s PHE 648 CO 0.12 -1.59 0.00 0.41 -0.10 0.00 0.00 175.22 174.06 1itz n GLY 649 N -2.13 -0.45 3.25 4.36 0.00 -1.26 -5.04 105.19 103.93 1itz n GLY 649 Ca 0.07 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.82 -0.62 -0.49 4.61 0.00 -1.26 -4.51 121.76 115.67 1itz s ALA 650 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 1itz s ALA 650 Cb 0.00 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.60 1itz s ALA 650 CO 0.00 -0.48 0.65 0.45 0.00 0.00 0.00 175.76 176.38 1itz s SER 651 N -2.42 6.26 -0.08 0.00 0.15 -1.26 -4.13 113.70 112.22 1itz s SER 651 Ca -0.01 -0.69 -0.32 0.00 0.70 0.00 0.00 55.95 55.63 1itz s SER 651 Cb 0.01 -2.31 0.13 0.00 -1.71 0.00 0.00 66.02 62.14 1itz s SER 651 CO -0.07 -0.88 1.25 0.00 1.20 0.00 0.00 173.24 174.74 1itz s ALA 652 N 2.78 -2.16 0.37 5.45 0.00 -1.26 -4.92 121.76 122.02 1itz s ALA 652 Ca 0.18 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 1itz s ALA 652 Cb -0.17 0.18 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 1itz s ALA 652 CO 0.15 -0.87 1.49 -2.30 0.00 0.00 0.00 175.76 174.22 1itz n PRO 653 N -0.33 2.66 -0.25 0.00 -0.02 -1.26 -1.07 135.00 134.72 1itz n PRO 653 Ca -0.05 0.93 0.05 0.00 -2.02 0.00 0.00 63.50 62.42 1itz n PRO 653 Cb 0.61 -2.66 0.18 0.00 -0.02 0.00 0.00 33.50 31.61 1itz n PRO 653 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itz h ALA 654 N 3.10 0.98 -1.01 3.55 0.00 -1.84 -2.14 119.26 121.91 1itz h ALA 654 Ca -0.50 0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1itz h ALA 654 Cb 1.24 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1itz h ALA 654 CO 0.65 -0.30 0.64 0.78 0.00 0.00 0.00 179.25 181.02 1itz h GLY 655 N 0.32 1.62 1.16 0.00 0.00 -1.92 -1.65 103.07 102.60 1itz h GLY 655 Ca 0.41 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1itz h GLY 655 CO -0.47 0.20 -0.13 -0.84 0.00 0.00 0.00 176.54 175.30 1itz h THR 656 N 1.04 1.27 -0.41 4.70 2.02 -1.76 -2.74 112.91 117.03 1itz h THR 656 Ca 0.48 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1itz h THR 656 Cb 0.41 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1itz h THR 656 CO -0.24 0.45 0.04 0.40 0.37 0.00 0.00 175.52 176.54 1itz h ILE 657 N 0.86 1.25 -0.73 3.11 2.04 -1.21 -0.62 117.51 122.22 1itz h ILE 657 Ca 0.13 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1itz h ILE 657 Cb 0.69 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 1itz h ILE 657 CO 0.05 0.32 0.42 1.88 0.00 0.00 0.00 178.15 180.82 1itz h TYR 658 N 0.54 0.78 0.06 1.37 0.05 -1.27 0.66 116.97 119.17 1itz h TYR 658 Ca 0.12 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1itz h TYR 658 Cb 0.41 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1itz h TYR 658 CO 0.03 0.38 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.27 1itz h LYS 659 N 0.78 -0.08 0.00 4.88 3.64 -1.28 0.20 116.57 124.70 1itz h LYS 659 Ca 0.32 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1itz h LYS 659 Cb 0.18 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1itz h LYS 659 CO -0.18 0.31 -0.07 0.93 -2.27 0.00 0.00 179.45 178.17 1itz h GLU 660 N -0.49 0.00 -0.17 1.90 4.39 -0.86 -1.86 114.58 117.49 1itz h GLU 660 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1itz h GLU 660 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1itz h GLU 660 CO 0.01 0.07 0.00 0.66 -1.16 0.00 0.00 179.01 178.59 1itz n TYR 661 N -3.66 0.20 -1.69 4.33 4.02 0.20 -4.97 117.16 115.60 1itz n TYR 661 Ca -0.02 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 1itz n TYR 661 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.37 0.59 3.16 2.72 0.00 -0.70 -4.93 105.19 107.41 1itz n GLY 662 Ca 0.17 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.31 4.59 -4.19 -0.61 2.08 -0.00 -4.69 119.36 113.23 1itz n ILE 663 Ca -0.10 -5.02 -0.11 0.00 0.56 0.00 0.00 62.75 58.07 1itz n ILE 663 Cb 0.44 -2.37 -0.10 0.00 -0.75 0.00 0.00 39.64 36.86 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 -0.32 0.26 0.29 1.39 -4.23 -1.26 -4.70 115.64 107.08 1itz s THR 664 Ca 0.37 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1itz s THR 664 Cb 0.01 -2.14 0.11 0.00 1.34 0.00 0.00 72.50 71.83 1itz s THR 664 CO 0.01 -0.40 1.79 1.62 -0.54 0.00 0.00 174.62 177.10 1itz h VAL 665 N 2.77 1.23 -0.32 2.29 3.04 -1.92 -2.59 116.25 120.75 1itz h VAL 665 Ca -0.36 -1.01 -0.05 0.00 -1.01 0.00 0.00 66.70 64.27 1itz h VAL 665 Cb 1.21 1.05 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 1itz h VAL 665 CO 0.60 0.34 -0.01 1.05 -1.01 0.00 0.00 177.57 178.53 1itz h GLU 666 N 0.56 0.50 -0.39 4.17 9.09 -1.96 -1.88 114.58 124.67 1itz h GLU 666 Ca 0.11 -0.11 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1itz h GLU 666 Cb 0.48 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.49 1itz h GLU 666 CO 0.03 0.54 0.04 0.77 0.05 0.00 0.00 179.01 180.43 1itz h SER 667 N 0.48 0.56 -0.06 3.06 0.02 -1.74 0.17 113.55 116.04 1itz h SER 667 Ca 0.10 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1itz h SER 667 Cb 0.33 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1itz h SER 667 CO 0.01 0.61 -0.05 0.40 -1.14 0.00 0.00 176.83 176.66 1itz h ILE 668 N 0.58 1.35 -0.69 3.27 2.04 -1.34 -1.50 117.51 121.23 1itz h ILE 668 Ca 0.13 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.87 1itz h ILE 668 Cb 0.32 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1itz h ILE 668 CO 0.01 0.31 0.42 0.40 0.00 0.00 0.00 178.15 179.30 1itz h ILE 669 N -0.27 1.08 -0.87 -0.67 2.04 -1.08 0.33 117.51 118.06 1itz h ILE 669 Ca 0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1itz h ILE 669 Cb 0.53 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1itz h ILE 669 CO 0.01 0.15 0.47 0.00 0.00 0.00 0.00 178.15 178.78 1itz h ALA 670 N 1.30 1.17 -0.16 1.87 0.00 -0.62 -2.26 119.26 120.57 1itz h ALA 670 Ca 0.28 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1itz h ALA 670 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1itz h ALA 670 CO -0.12 0.66 -0.52 0.00 0.00 0.00 0.00 179.25 179.27 1itz h ALA 671 N 1.28 0.82 -0.38 0.00 0.00 -0.20 -3.06 119.26 117.72 1itz h ALA 671 Ca 0.31 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1itz h ALA 671 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1itz h ALA 671 CO -0.05 0.68 0.14 0.00 0.00 0.00 0.00 179.25 180.02 1itz h ALA 672 N 1.10 1.53 -0.17 0.00 0.00 0.16 -2.01 119.26 119.87 1itz h ALA 672 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1itz h ALA 672 Cb 1.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1itz h ALA 672 CO 0.09 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.34 1itz n LYS 673 N -4.37 2.03 0.00 0.00 5.02 -0.95 -2.90 118.16 116.99 1itz n LYS 673 Ca 0.02 -0.88 0.08 0.00 -2.02 0.00 0.00 58.31 55.51 1itz n LYS 673 Cb 0.15 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.17 0.95 -0.71 4.39 7.64 -0.76 -5.09 113.62 120.22 1itz n SER 674 Ca 0.08 -0.98 0.13 0.00 1.01 0.00 0.00 58.87 59.11 1itz n SER 674 Cb 0.47 0.92 0.32 0.00 -1.01 0.00 0.00 64.21 64.91 1itz n SER 674 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52