#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ooz s MET 2 N 0.00 1.12 -0.08 -0.52 0.23 -0.19 -1.27 119.30 118.59 2ooz s MET 2 Ca 0.00 -0.28 0.04 0.00 -1.03 0.00 0.00 55.69 54.42 2ooz s MET 2 Cb 0.00 -1.01 0.00 0.00 -1.53 0.00 0.00 34.83 32.29 2ooz s MET 2 CO 0.00 0.04 -0.22 0.12 -2.03 0.00 0.00 175.02 172.94 2ooz s PHE 3 N 0.49 2.30 -0.05 3.16 5.36 -0.06 -1.17 117.98 128.01 2ooz s PHE 3 Ca -0.08 -0.88 0.04 0.00 -0.96 0.00 0.00 56.93 55.05 2ooz s PHE 3 Cb -0.12 -1.55 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2ooz s PHE 3 CO 0.01 -0.35 -0.18 0.42 -1.46 0.00 0.00 175.22 173.66 2ooz s ILE 4 N 0.29 1.52 -0.11 3.12 1.01 -0.48 -0.85 121.20 125.70 2ooz s ILE 4 Ca -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2ooz s ILE 4 Cb -0.17 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.02 2ooz s ILE 4 CO 0.07 0.43 -0.10 0.54 0.00 0.00 0.00 174.94 175.88 2ooz s VAL 5 N 0.07 1.16 -0.17 2.92 0.11 0.09 -1.47 120.40 123.11 2ooz s VAL 5 Ca -0.05 -0.41 -0.04 0.00 -2.93 0.00 0.00 61.98 58.55 2ooz s VAL 5 Cb -0.12 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2ooz s VAL 5 CO 0.03 0.38 -0.03 0.20 -3.33 0.00 0.00 175.10 172.35 2ooz s ASN 6 N 1.36 4.80 0.02 3.54 0.01 -0.16 -0.06 114.94 124.44 2ooz s ASN 6 Ca -0.01 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 51.87 2ooz s ASN 6 Cb -0.14 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.74 2ooz s ASN 6 CO -0.05 0.14 0.25 0.28 -1.51 0.00 0.00 177.10 176.21 2ooz s THR 7 N 0.55 0.08 -1.80 1.60 -1.32 -0.25 -0.83 115.64 113.68 2ooz s THR 7 Ca -0.02 -0.70 0.29 0.00 -1.21 0.00 0.00 61.69 60.05 2ooz s THR 7 Cb -0.14 -0.78 0.49 0.00 -1.51 0.00 0.00 72.50 70.56 2ooz s THR 7 CO 0.02 -0.38 1.85 -0.46 -2.21 0.00 0.00 174.62 173.44 2ooz n ASN 8 N 0.91 0.62 -4.77 8.08 6.94 -1.23 -1.18 115.26 124.64 2ooz n ASN 8 Ca -0.20 -0.77 -0.41 0.00 -0.02 0.00 0.00 54.58 53.19 2ooz n ASN 8 Cb 0.58 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 37.96 2ooz n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2ooz s VAL 9 N -2.37 2.45 0.55 3.53 1.01 -1.26 -4.20 120.40 120.10 2ooz s VAL 9 Ca 0.31 0.44 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 2ooz s VAL 9 Cb 0.20 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2ooz s VAL 9 CO 0.45 0.10 1.11 -2.16 0.00 0.00 0.00 175.10 174.60 2ooz s PRO 10 N -1.99 3.36 0.30 2.72 0.04 -1.26 -0.60 135.00 137.57 2ooz s PRO 10 Ca 0.52 1.51 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2ooz s PRO 10 Cb -0.42 -2.02 0.71 0.00 0.04 0.00 0.00 34.50 32.82 2ooz s PRO 10 CO 0.56 -0.82 1.78 -0.09 0.04 0.00 0.00 177.00 178.47 2ooz h ARG 11 N 1.07 0.76 0.00 4.56 2.43 -1.93 0.18 114.38 121.45 2ooz h ARG 11 Ca -0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2ooz h ARG 11 Cb 1.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2ooz h ARG 11 CO 0.57 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 179.53 2ooz h ALA 12 N 1.63 1.00 -0.00 2.80 0.00 -2.03 -1.66 119.26 121.00 2ooz h ALA 12 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2ooz h ALA 12 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ooz h ALA 12 CO -0.37 0.00 -0.31 0.43 0.00 0.00 0.00 179.25 179.00 2ooz n SER 13 N -2.90 0.68 -4.57 0.00 7.64 0.63 -4.73 113.62 110.37 2ooz n SER 13 Ca -0.01 -0.52 -0.43 0.00 1.01 0.00 0.00 58.87 58.92 2ooz n SER 13 Cb 0.14 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 2ooz n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ooz s VAL 14 N -2.71 4.60 0.50 0.44 1.01 -0.62 -4.71 120.40 118.90 2ooz s VAL 14 Ca 0.19 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 2ooz s VAL 14 Cb 0.19 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2ooz s VAL 14 CO 0.58 -0.66 1.22 -2.16 0.00 0.00 0.00 175.10 174.08 2ooz s PRO 15 N 3.43 3.50 0.34 2.72 0.04 -1.26 -4.96 135.00 138.81 2ooz s PRO 15 Ca 0.34 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 2ooz s PRO 15 Cb -0.12 -2.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.99 2ooz s PRO 15 CO 0.22 -0.80 1.25 -0.25 0.04 0.00 0.00 177.00 177.47 2ooz n ASP 16 N -0.77 2.56 0.00 6.66 10.43 -1.26 -1.91 116.55 132.27 2ooz n ASP 16 Ca 0.09 1.20 0.00 0.00 2.57 0.00 0.00 54.79 58.65 2ooz n ASP 16 Cb 0.47 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 41.97 2ooz n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ooz n GLY 17 N 0.83 0.78 0.16 0.44 0.00 -1.26 -4.95 105.19 101.20 2ooz n GLY 17 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2ooz n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ooz h PHE 18 N 0.00 0.49 -0.72 1.61 3.57 -1.76 -0.78 116.94 119.36 2ooz h PHE 18 Ca 0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2ooz h PHE 18 Cb 0.00 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2ooz h PHE 18 CO 0.00 0.46 0.31 -0.07 -2.23 0.00 0.00 178.31 176.78 2ooz h LEU 19 N 0.39 0.95 -0.69 0.59 3.38 -1.92 -1.19 115.31 116.81 2ooz h LEU 19 Ca 0.11 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2ooz h LEU 19 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ooz h LEU 19 CO -0.01 0.82 0.04 -1.28 0.09 0.00 0.00 178.44 178.11 2ooz h SER 20 N 1.02 1.02 -0.41 -0.43 0.87 -1.90 -1.15 113.55 112.58 2ooz h SER 20 Ca 0.24 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2ooz h SER 20 Cb 0.15 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2ooz h SER 20 CO -0.03 1.05 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.22 2ooz h GLU 21 N 0.98 0.74 -0.52 2.24 4.81 -0.76 -1.41 114.58 120.65 2ooz h GLU 21 Ca 0.18 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2ooz h GLU 21 Cb 0.50 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2ooz h GLU 21 CO 0.02 0.83 0.33 -0.07 -0.73 0.00 0.00 179.01 179.40 2ooz h LEU 22 N 0.56 0.61 -0.17 1.64 3.38 -1.09 -0.74 115.31 119.51 2ooz h LEU 22 Ca 0.11 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2ooz h LEU 22 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2ooz h LEU 22 CO 0.03 0.47 0.01 0.74 0.09 0.00 0.00 178.44 179.77 2ooz h THR 23 N 0.70 0.90 -0.25 0.22 2.02 -0.96 -0.19 112.91 115.35 2ooz h THR 23 Ca 0.19 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 2ooz h THR 23 Cb -0.05 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2ooz h THR 23 CO -0.04 0.01 0.02 1.56 0.37 0.00 0.00 175.52 177.45 2ooz h GLN 24 N 0.07 0.42 -0.63 6.66 4.20 -1.06 -1.62 115.11 123.16 2ooz h GLN 24 Ca 0.08 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 2ooz h GLN 24 Cb 0.09 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2ooz h GLN 24 CO -0.12 0.57 0.08 1.96 -0.67 0.00 0.00 178.83 180.65 2ooz h GLN 25 N 0.22 1.04 -0.15 1.46 1.08 -1.03 -1.20 115.11 116.53 2ooz h GLN 25 Ca 0.07 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 56.88 2ooz h GLN 25 Cb 0.36 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2ooz h GLN 25 CO 0.01 0.97 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.39 2ooz h LEU 26 N 0.97 0.34 -0.36 1.46 3.38 -0.99 0.24 115.31 120.37 2ooz h LEU 26 Ca 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ooz h LEU 26 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ooz h LEU 26 CO 0.01 0.71 0.06 0.00 0.09 0.00 0.00 178.44 179.31 2ooz h ALA 27 N 1.31 0.47 -0.39 1.53 0.00 -0.96 0.20 119.26 121.42 2ooz h ALA 27 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2ooz h ALA 27 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ooz h ALA 27 CO 0.07 0.17 0.14 1.96 0.00 0.00 0.00 179.25 181.59 2ooz h GLN 28 N 0.43 0.59 -0.34 0.00 1.08 -0.87 -0.30 115.11 115.69 2ooz h GLN 28 Ca 0.11 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2ooz h GLN 28 Cb 0.36 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2ooz h GLN 28 CO 0.01 0.58 0.04 0.00 -0.95 0.00 0.00 178.83 178.51 2ooz h ALA 29 N 0.98 0.46 0.00 3.87 0.00 -0.38 -3.23 119.26 120.96 2ooz h ALA 29 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ooz h ALA 29 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ooz h ALA 29 CO -0.01 0.18 -0.53 1.79 0.00 0.00 0.00 179.25 180.68 2ooz h THR 30 N 0.40 0.00 0.00 0.00 1.35 -0.98 -3.48 112.91 110.21 2ooz h THR 30 Ca 0.10 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2ooz h THR 30 Cb 0.38 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2ooz h THR 30 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2ooz n GLY 31 N 1.31 0.62 3.89 5.82 0.00 -0.13 -4.99 105.19 111.71 2ooz n GLY 31 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2ooz n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ooz s LYS 32 N -0.17 3.65 0.53 1.61 1.02 -1.16 -5.02 119.74 120.20 2ooz s LYS 32 Ca 0.00 -0.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.74 2ooz s LYS 32 Cb 0.00 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 2ooz s LYS 32 CO 0.00 0.42 1.37 -2.30 -0.92 0.00 0.00 175.35 173.92 2ooz n PRO 33 N -0.07 1.77 0.29 -1.68 -0.02 -1.26 -4.54 135.00 129.50 2ooz n PRO 33 Ca -0.02 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2ooz n PRO 33 Cb 0.52 -2.58 0.90 0.00 -0.02 0.00 0.00 33.50 32.31 2ooz n PRO 33 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ooz h PRO 34 N 1.54 0.00 -0.05 0.52 0.13 -1.91 -2.07 132.00 130.17 2ooz h PRO 34 Ca -0.51 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2ooz h PRO 34 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ooz h PRO 34 CO 0.58 0.04 0.04 1.96 -0.23 0.00 0.00 178.00 180.38 2ooz h GLN 35 N 0.00 0.00 -0.00 0.86 7.50 -1.97 -2.08 115.11 119.42 2ooz h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2ooz h GLN 35 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 2ooz h GLN 35 CO 0.00 0.00 -0.49 0.66 -1.50 0.00 0.00 178.83 177.50 2ooz n TYR 36 N -4.26 0.00 -2.86 2.96 4.01 -0.78 -4.92 117.16 111.31 2ooz n TYR 36 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2ooz n TYR 36 Cb 0.13 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 38.93 2ooz n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2ooz s ILE 37 N -2.89 4.94 -0.05 -0.72 -1.09 -0.78 -3.37 121.20 117.23 2ooz s ILE 37 Ca 0.14 1.77 0.05 0.00 -2.23 0.00 0.00 60.65 60.37 2ooz s ILE 37 Cb 0.18 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2ooz s ILE 37 CO 0.68 0.18 -0.19 0.00 -1.23 0.00 0.00 174.94 174.37 2ooz s ALA 38 N 1.07 2.42 0.03 9.38 0.00 -0.39 -5.00 121.76 129.27 2ooz s ALA 38 Ca 0.45 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2ooz s ALA 38 Cb -0.19 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 2ooz s ALA 38 CO 0.22 0.48 -0.11 0.14 0.00 0.00 0.00 175.76 176.49 2ooz s VAL 39 N -0.44 0.84 -0.11 0.00 -7.23 -1.26 -0.88 120.40 111.32 2ooz s VAL 39 Ca 0.05 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.27 2ooz s VAL 39 Cb -0.12 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 36.08 2ooz s VAL 39 CO 0.02 -0.09 0.22 -2.28 -0.31 0.00 0.00 175.10 172.66 2ooz s HIS 40 N -0.90 -0.32 -0.12 2.82 5.04 -0.03 -4.96 115.29 116.82 2ooz s HIS 40 Ca -0.02 0.80 0.03 0.00 -1.54 0.00 0.00 55.06 54.33 2ooz s HIS 40 Cb -0.08 -0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.48 2ooz s HIS 40 CO 0.01 -0.28 -0.22 0.08 -2.34 0.00 0.00 174.74 171.99 2ooz s VAL 41 N 1.93 2.20 -0.40 0.89 1.01 -1.26 -0.73 120.40 124.03 2ooz s VAL 41 Ca -0.03 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2ooz s VAL 41 Cb -0.11 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.51 2ooz s VAL 41 CO -0.08 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.03 2ooz s VAL 42 N 0.54 2.09 0.66 2.92 1.01 0.91 -4.97 120.40 123.55 2ooz s VAL 42 Ca -0.13 -2.56 -0.06 0.00 0.00 0.00 0.00 61.98 59.23 2ooz s VAL 42 Cb -0.17 -2.51 0.14 0.00 0.00 0.00 0.00 36.38 33.84 2ooz s VAL 42 CO 0.04 -0.71 0.90 -0.81 0.00 0.00 0.00 175.10 174.52 2ooz n PRO 43 N 3.89 -0.44 -2.37 2.72 -0.04 -1.26 -1.09 135.00 136.41 2ooz n PRO 43 Ca 0.04 -1.89 -0.16 0.00 -0.04 0.00 0.00 63.50 61.45 2ooz n PRO 43 Cb 0.38 -0.77 -0.01 0.00 -0.04 0.00 0.00 33.50 33.06 2ooz n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ooz n ASP 44 N -3.27 -4.84 -4.84 3.54 9.92 0.23 -4.83 116.55 112.47 2ooz n ASP 44 Ca 0.13 0.11 -0.32 0.00 -0.53 0.00 0.00 54.79 54.18 2ooz n ASP 44 Cb 0.46 -4.08 -0.04 0.00 -0.64 0.00 0.00 41.12 36.81 2ooz n ASP 44 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2ooz s GLN 45 N -4.95 3.99 -0.75 -1.24 -1.52 -0.32 -4.94 119.66 109.93 2ooz s GLN 45 Ca 0.00 0.91 -0.20 0.00 -1.95 0.00 0.00 55.36 54.12 2ooz s GLN 45 Cb 0.00 -2.19 0.10 0.00 -0.22 0.00 0.00 33.01 30.70 2ooz s GLN 45 CO 0.00 -0.17 0.97 -1.17 -0.25 0.00 0.00 175.29 174.67 2ooz s LEU 46 N -3.79 4.92 0.13 2.90 0.20 -1.26 -4.19 118.68 117.58 2ooz s LEU 46 Ca 0.58 -1.53 -0.09 0.00 0.69 0.00 0.00 54.13 53.78 2ooz s LEU 46 Cb -0.10 -2.38 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 2ooz s LEU 46 CO 0.27 -1.21 0.25 0.00 -0.29 0.00 0.00 176.35 175.36 2ooz s MET 47 N 3.14 1.03 0.02 1.98 0.23 -1.26 -5.08 119.30 119.37 2ooz s MET 47 Ca 0.24 -1.09 -0.00 0.00 -1.03 0.00 0.00 55.69 53.81 2ooz s MET 47 Cb -0.14 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2ooz s MET 47 CO 0.01 -0.36 -0.03 0.00 -2.03 0.00 0.00 175.02 172.61 2ooz s ALA 48 N -3.93 0.16 -0.09 3.16 0.00 -1.26 -4.69 121.76 115.12 2ooz s ALA 48 Ca 0.12 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2ooz s ALA 48 Cb 0.04 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2ooz s ALA 48 CO -0.04 -0.18 -0.01 0.12 0.00 0.00 0.00 175.76 175.64 2ooz s PHE 49 N -1.72 0.87 -1.47 0.00 5.36 -0.35 -4.73 117.98 115.93 2ooz s PHE 49 Ca -0.14 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 2ooz s PHE 49 Cb -0.08 -0.91 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 2ooz s PHE 49 CO -0.02 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 2ooz n GLY 50 N 5.10 1.05 1.70 13.12 0.00 -1.26 -1.99 105.19 122.91 2ooz n GLY 50 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2ooz n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ooz n GLY 51 N -1.14 0.57 3.36 -0.02 0.00 -1.26 -5.05 105.19 101.65 2ooz n GLY 51 Ca -0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2ooz n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ooz s SER 52 N -2.06 3.16 -0.15 1.61 0.15 -0.84 -5.04 113.70 110.52 2ooz s SER 52 Ca 0.00 -0.70 0.17 0.00 0.70 0.00 0.00 55.95 56.12 2ooz s SER 52 Cb 0.00 -0.23 0.74 0.00 -1.71 0.00 0.00 66.02 64.83 2ooz s SER 52 CO 0.00 0.18 1.66 -1.54 1.20 0.00 0.00 173.24 174.74 2ooz n SER 53 N 1.17 5.02 -4.63 5.45 3.41 -1.26 -1.21 113.62 121.57 2ooz n SER 53 Ca -0.18 -2.62 -0.29 0.00 -0.26 0.00 0.00 58.87 55.52 2ooz n SER 53 Cb 0.53 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 64.06 2ooz n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ooz s GLU 54 N -2.17 0.20 0.16 4.33 0.41 -1.26 -4.87 118.70 115.50 2ooz s GLU 54 Ca 0.52 0.71 -0.34 0.00 -0.41 0.00 0.00 54.97 55.45 2ooz s GLU 54 Cb 0.36 -1.69 -0.15 0.00 -1.78 0.00 0.00 34.13 30.86 2ooz s GLU 54 CO 0.21 -2.94 1.31 -2.30 -0.49 0.00 0.00 175.26 171.06 2ooz n PRO 55 N -4.35 1.45 -3.97 0.39 -0.02 -1.26 -4.86 135.00 122.37 2ooz n PRO 55 Ca 0.05 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 2ooz n PRO 55 Cb 0.56 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2ooz n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ooz s ALA 57 N -3.88 -0.91 -0.19 0.00 0.00 -0.62 -3.54 121.76 112.62 2ooz s ALA 57 Ca 0.21 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2ooz s ALA 57 Cb -0.02 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.54 2ooz s ALA 57 CO 0.09 -0.18 -0.18 -0.51 0.00 0.00 0.00 175.76 174.98 2ooz s LEU 58 N 0.17 2.36 0.31 0.00 1.43 -0.01 -1.80 118.68 121.14 2ooz s LEU 58 Ca -0.00 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 2ooz s LEU 58 Cb -0.03 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 2ooz s LEU 58 CO 0.01 -0.03 0.02 0.00 0.23 0.00 0.00 176.35 176.57 2ooz s SER 60 N -3.48 -0.17 -0.15 0.00 1.04 -0.54 -0.70 113.70 109.70 2ooz s SER 60 Ca 0.34 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.04 2ooz s SER 60 Cb 0.07 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2ooz s SER 60 CO 0.14 -0.16 -0.06 -0.22 0.98 0.00 0.00 173.24 173.93 2ooz s LEU 61 N -0.29 1.50 -0.10 2.42 2.96 -0.03 -1.38 118.68 123.76 2ooz s LEU 61 Ca -0.04 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2ooz s LEU 61 Cb -0.03 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 2ooz s LEU 61 CO 0.01 -0.17 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.84 2ooz s HIS 62 N 1.66 3.06 -0.04 5.38 3.76 -0.31 -1.22 115.29 127.57 2ooz s HIS 62 Ca 0.02 0.01 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 2ooz s HIS 62 Cb -0.15 -1.81 0.04 0.00 1.11 0.00 0.00 32.58 31.77 2ooz s HIS 62 CO -0.08 0.29 0.45 0.45 -0.85 0.00 0.00 174.74 175.00 2ooz s SER 63 N -0.52 -0.37 -0.73 1.40 0.15 -0.63 -1.02 113.70 111.97 2ooz s SER 63 Ca 0.08 0.36 -0.20 0.00 0.70 0.00 0.00 55.95 56.89 2ooz s SER 63 Cb -0.12 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.73 2ooz s SER 63 CO 0.02 -0.49 0.92 -0.63 1.20 0.00 0.00 173.24 174.27 2ooz s ILE 64 N -1.19 4.67 0.00 6.45 1.01 -1.26 -0.53 121.20 130.35 2ooz s ILE 64 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.48 2ooz s ILE 64 Cb -0.03 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.79 2ooz s ILE 64 CO 0.06 -1.35 0.00 0.61 0.00 0.00 0.00 174.94 174.26 2ooz n GLY 65 N 5.28 -2.28 2.38 6.18 0.00 -1.26 -4.94 105.19 110.54 2ooz n GLY 65 Ca 0.04 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 2ooz n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ooz n LYS 66 N -0.59 -1.13 -4.90 1.61 4.76 -1.26 -4.92 118.16 111.73 2ooz n LYS 66 Ca 0.00 0.91 -0.31 0.00 -2.87 0.00 0.00 58.31 56.04 2ooz n LYS 66 Cb 0.00 -5.14 -0.17 0.00 -1.84 0.00 0.00 35.03 27.88 2ooz n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ooz s ILE 67 N -2.65 1.89 -0.05 -0.18 -1.09 -1.26 -4.84 121.20 113.02 2ooz s ILE 67 Ca 0.00 -0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 57.21 2ooz s ILE 67 Cb 0.00 -1.66 0.12 0.00 -1.58 0.00 0.00 42.46 39.34 2ooz s ILE 67 CO 0.00 0.52 1.34 -0.83 -1.23 0.00 0.00 174.94 174.74 2ooz s GLY 68 N 0.59 -0.32 0.07 6.18 0.00 -1.26 -4.98 107.32 107.59 2ooz s GLY 68 Ca -0.14 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.89 2ooz s GLY 68 CO 0.04 2.76 1.29 -1.33 0.00 0.00 0.00 173.10 175.86 2ooz h GLY 69 N 2.00 -1.46 0.98 0.20 0.00 -1.99 0.42 103.07 103.22 2ooz h GLY 69 Ca -0.27 0.78 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 2ooz h GLY 69 CO 0.30 -0.42 -0.08 0.00 0.00 0.00 0.00 176.54 176.35 2ooz h ALA 70 N -0.64 0.57 -0.85 3.60 0.00 -1.99 -2.51 119.26 117.42 2ooz h ALA 70 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ooz h ALA 70 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2ooz h ALA 70 CO -0.31 0.42 0.41 1.96 0.00 0.00 0.00 179.25 181.73 2ooz h GLN 71 N 0.60 1.23 -0.36 0.00 4.20 -1.88 -1.61 115.11 117.29 2ooz h GLN 71 Ca 0.11 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 2ooz h GLN 71 Cb 0.59 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2ooz h GLN 71 CO 0.04 0.94 -0.18 -0.91 -0.67 0.00 0.00 178.83 178.04 2ooz h ASN 72 N 1.22 0.68 -0.67 1.46 2.35 -0.10 0.28 115.58 120.79 2ooz h ASN 72 Ca 0.29 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2ooz h ASN 72 Cb 0.12 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2ooz h ASN 72 CO -0.04 0.86 0.12 0.03 -1.65 0.00 0.00 177.43 176.75 2ooz h ARG 73 N 0.61 1.11 -0.49 0.81 3.08 -1.08 -0.75 114.38 117.67 2ooz h ARG 73 Ca 0.09 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 2ooz h ARG 73 Cb 0.65 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2ooz h ARG 73 CO 0.05 1.01 0.03 1.03 -1.07 0.00 0.00 179.97 181.01 2ooz h SER 74 N 1.04 0.82 -0.74 7.04 0.87 -0.74 -2.11 113.55 119.72 2ooz h SER 74 Ca 0.21 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2ooz h SER 74 Cb 0.43 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2ooz h SER 74 CO 0.01 0.90 0.37 1.88 -0.53 0.00 0.00 176.83 179.47 2ooz h TYR 75 N 0.70 1.07 -0.56 2.24 0.99 -0.73 -2.05 116.97 118.63 2ooz h TYR 75 Ca 0.14 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.73 2ooz h TYR 75 Cb 0.47 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.84 2ooz h TYR 75 CO 0.03 0.77 -0.05 0.77 -0.00 0.00 0.00 178.16 179.69 2ooz h SER 76 N 1.07 1.00 -0.37 3.88 0.02 -0.86 0.95 113.55 119.23 2ooz h SER 76 Ca 0.26 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2ooz h SER 76 Cb 0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2ooz h SER 76 CO -0.03 1.07 0.04 0.50 -1.14 0.00 0.00 176.83 177.27 2ooz h LYS 77 N 0.91 0.64 0.26 3.45 3.64 -1.19 -0.37 116.57 123.92 2ooz h LYS 77 Ca 0.16 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2ooz h LYS 77 Cb 0.60 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ooz h LYS 77 CO 0.04 0.71 -0.13 1.25 -2.27 0.00 0.00 179.45 179.05 2ooz h LEU 78 N 0.47 -0.30 -0.42 5.20 5.85 -1.17 -1.07 115.31 123.86 2ooz h LEU 78 Ca 0.11 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2ooz h LEU 78 Cb 0.40 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2ooz h LEU 78 CO 0.01 -0.10 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.75 2ooz h LEU 79 N -0.49 0.90 -0.92 2.25 3.38 -0.82 -1.46 115.31 118.14 2ooz h LEU 79 Ca -0.04 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2ooz h LEU 79 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2ooz h LEU 79 CO 0.06 1.10 0.05 0.00 0.09 0.00 0.00 178.44 179.74 2ooz h GLY 81 N 0.98 0.73 1.00 0.00 0.00 -0.88 0.14 103.07 105.05 2ooz h GLY 81 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 2ooz h GLY 81 CO 0.01 0.15 -0.19 1.41 0.00 0.00 0.00 176.54 177.92 2ooz h LEU 82 N 0.56 0.82 -1.01 3.11 3.38 -0.83 -1.66 115.31 119.68 2ooz h LEU 82 Ca 0.22 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2ooz h LEU 82 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2ooz h LEU 82 CO -0.13 1.05 0.09 -0.07 0.09 0.00 0.00 178.44 179.47 2ooz h LEU 83 N 0.59 0.75 -0.03 1.67 3.38 -0.75 0.13 115.31 121.06 2ooz h LEU 83 Ca 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2ooz h LEU 83 Cb 0.74 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ooz h LEU 83 CO 0.06 0.77 -0.06 0.00 0.09 0.00 0.00 178.44 179.30 2ooz h ALA 84 N 1.33 0.05 -0.27 1.53 0.00 -0.90 -1.06 119.26 119.94 2ooz h ALA 84 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2ooz h ALA 84 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ooz h ALA 84 CO 0.00 -0.13 -0.07 1.49 0.00 0.00 0.00 179.25 180.55 2ooz h GLU 85 N -0.43 0.53 0.13 0.00 4.81 -1.19 -1.02 114.58 117.42 2ooz h GLU 85 Ca 0.00 -0.20 -0.33 0.00 -0.13 0.00 0.00 59.36 58.70 2ooz h GLU 85 Cb 0.62 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2ooz h GLU 85 CO 0.01 0.74 -1.70 0.00 -0.73 0.00 0.00 179.01 177.33 2ooz h ARG 86 N 0.28 0.28 -0.01 1.92 2.47 -0.85 -3.39 114.38 115.08 2ooz h ARG 86 Ca 0.07 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2ooz h ARG 86 Cb 0.55 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2ooz h ARG 86 CO 0.03 1.15 -0.03 1.28 0.56 0.00 0.00 179.97 182.96 2ooz n LEU 87 N -3.47 1.86 -3.30 3.04 4.77 -0.46 -4.57 117.00 114.87 2ooz n LEU 87 Ca -0.22 -0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 54.57 2ooz n LEU 87 Cb 1.06 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.21 2ooz n LEU 87 CO 0.49 0.35 0.17 0.54 -1.33 0.00 0.00 177.39 177.61 2ooz n ARG 88 N 0.52 -6.81 -3.83 3.23 5.12 -0.39 -4.95 116.66 109.56 2ooz n ARG 88 Ca 0.06 0.82 -0.35 0.00 -1.93 0.00 0.00 57.85 56.45 2ooz n ARG 88 Cb 0.28 -5.73 -0.10 0.00 -1.16 0.00 0.00 32.46 25.76 2ooz n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ooz s ILE 89 N -3.26 5.03 0.18 0.55 1.01 -0.91 -4.90 121.20 118.89 2ooz s ILE 89 Ca 0.48 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 2ooz s ILE 89 Cb -0.21 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 2ooz s ILE 89 CO 0.60 0.41 1.46 -0.44 0.00 0.00 0.00 174.94 176.96 2ooz s SER 90 N 0.72 6.70 0.51 3.58 0.01 -1.26 -3.16 113.70 120.80 2ooz s SER 90 Ca 0.06 2.53 0.27 0.00 1.31 0.00 0.00 55.95 60.11 2ooz s SER 90 Cb -0.13 -2.60 1.38 0.00 0.21 0.00 0.00 66.02 64.88 2ooz s SER 90 CO 0.02 -0.71 1.91 -0.65 0.41 0.00 0.00 173.24 174.21 2ooz h PRO 91 N 6.17 0.08 -0.01 12.44 0.11 -1.97 0.32 132.00 149.15 2ooz h PRO 91 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ooz h PRO 91 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ooz h PRO 91 CO 0.85 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 2ooz n ASP 92 N -4.35 0.12 -0.98 -2.05 5.75 -1.26 -2.69 116.55 111.09 2ooz n ASP 92 Ca 0.16 -1.50 -0.02 0.00 -0.01 0.00 0.00 54.79 53.42 2ooz n ASP 92 Cb 0.81 -0.01 0.16 0.00 -1.03 0.00 0.00 41.12 41.05 2ooz n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ooz n ARG 93 N -0.68 2.12 -4.35 0.11 1.74 0.10 -5.00 116.66 110.71 2ooz n ARG 93 Ca 0.13 -3.53 -0.21 0.00 -0.77 0.00 0.00 57.85 53.47 2ooz n ARG 93 Cb 0.08 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.56 2ooz n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ooz s VAL 94 N -3.60 0.75 -0.04 1.55 1.01 -1.10 -1.58 120.40 117.39 2ooz s VAL 94 Ca 0.42 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2ooz s VAL 94 Cb 0.38 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 2ooz s VAL 94 CO -0.04 0.25 -0.24 -0.31 0.00 0.00 0.00 175.10 174.76 2ooz s TYR 95 N 0.50 2.31 -0.17 5.22 4.12 -0.74 -5.00 117.35 123.59 2ooz s TYR 95 Ca -0.08 -0.61 -0.01 0.00 0.02 0.00 0.00 57.07 56.39 2ooz s TYR 95 Cb -0.12 -1.51 0.05 0.00 -1.52 0.00 0.00 41.96 38.86 2ooz s TYR 95 CO 0.01 -0.16 -0.03 0.42 0.02 0.00 0.00 175.55 175.82 2ooz s ILE 96 N -0.28 0.93 -0.13 2.71 1.01 -1.26 -0.29 121.20 123.90 2ooz s ILE 96 Ca 0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 2ooz s ILE 96 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2ooz s ILE 96 CO 0.02 0.06 0.64 0.20 0.00 0.00 0.00 174.94 175.85 2ooz s ASN 97 N 1.70 6.82 -0.14 3.58 0.02 0.12 -4.93 114.94 122.12 2ooz s ASN 97 Ca 0.00 0.99 -0.05 0.00 -1.02 0.00 0.00 52.86 52.78 2ooz s ASN 97 Cb -0.16 -2.37 -0.04 0.00 0.02 0.00 0.00 41.25 38.71 2ooz s ASN 97 CO -0.07 -0.16 0.06 -0.31 0.02 0.00 0.00 177.10 176.64 2ooz s TYR 98 N 1.20 3.29 -0.09 2.20 1.51 -1.26 -0.85 117.35 123.34 2ooz s TYR 98 Ca 0.32 0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.57 2ooz s TYR 98 Cb -0.16 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 2ooz s TYR 98 CO 0.14 0.37 -0.05 0.71 -1.11 0.00 0.00 175.55 175.61 2ooz s TYR 99 N -0.33 1.19 -0.51 2.71 1.51 -0.36 -4.97 117.35 116.59 2ooz s TYR 99 Ca 0.08 -0.52 -0.20 0.00 -1.01 0.00 0.00 57.07 55.42 2ooz s TYR 99 Cb -0.12 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.72 2ooz s TYR 99 CO 0.02 -0.43 0.66 0.34 -1.11 0.00 0.00 175.55 175.02 2ooz s ASP 100 N 1.72 6.24 0.16 2.29 -1.08 -1.26 -1.61 116.67 123.12 2ooz s ASP 100 Ca 0.03 -0.85 -0.10 0.00 -0.52 0.00 0.00 52.55 51.12 2ooz s ASP 100 Cb -0.13 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 38.96 2ooz s ASP 100 CO -0.06 -0.92 0.49 -0.04 0.52 0.00 0.00 175.17 175.15 2ooz s MET 101 N 2.77 3.81 0.24 4.34 -1.94 0.30 -4.90 119.30 123.91 2ooz s MET 101 Ca 0.17 0.25 -0.25 0.00 -1.71 0.00 0.00 55.69 54.15 2ooz s MET 101 Cb -0.18 -2.82 -0.09 0.00 2.01 0.00 0.00 34.83 33.74 2ooz s MET 101 CO 0.13 0.43 0.83 -0.80 -0.01 0.00 0.00 175.02 175.60 2ooz s ASN 102 N -2.08 7.32 0.46 3.03 0.02 -1.26 -4.07 114.94 118.36 2ooz s ASN 102 Ca 0.41 1.68 0.15 0.00 -1.02 0.00 0.00 52.86 54.08 2ooz s ASN 102 Cb -0.13 -2.52 1.11 0.00 0.02 0.00 0.00 41.25 39.74 2ooz s ASN 102 CO 0.20 0.07 2.02 0.00 0.02 0.00 0.00 177.10 179.42 2ooz h ALA 103 N 3.72 2.06 0.00 0.60 0.00 -1.95 -0.25 119.26 123.44 2ooz h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ooz h ALA 103 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ooz h ALA 103 CO 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2ooz h ALA 104 N 1.75 1.00 -0.54 0.00 0.00 -1.92 -2.63 119.26 116.91 2ooz h ALA 104 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ooz h ALA 104 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ooz h ALA 104 CO -0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.29 2ooz n ASN 105 N -2.38 5.00 -3.93 0.00 3.02 -0.11 -4.84 115.26 112.03 2ooz n ASN 105 Ca 0.03 -2.74 -0.30 0.00 -0.03 0.00 0.00 54.58 51.54 2ooz n ASN 105 Cb 0.29 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 2ooz n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ooz s VAL 106 N -2.38 1.38 0.20 2.41 1.01 -1.09 -4.88 120.40 117.04 2ooz s VAL 106 Ca 0.50 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2ooz s VAL 106 Cb 0.36 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 2ooz s VAL 106 CO 0.18 0.05 0.67 -0.83 0.00 0.00 0.00 175.10 175.16 2ooz s GLY 107 N 1.49 2.56 -0.28 4.51 0.00 -1.26 -2.10 107.32 112.25 2ooz s GLY 107 Ca -0.02 0.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.51 2ooz s GLY 107 CO -0.07 0.40 1.04 0.86 0.00 0.00 0.00 173.10 175.32 2ooz s TRP 108 N -1.51 -0.46 -1.32 1.90 -0.00 0.59 -4.95 118.94 113.18 2ooz s TRP 108 Ca 0.41 1.11 -0.05 0.00 -0.00 0.00 0.00 56.10 57.57 2ooz s TRP 108 Cb -0.16 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.68 2ooz s TRP 108 CO 0.20 -0.23 0.55 -1.71 -0.00 0.00 0.00 176.95 175.77 2ooz n ASN 109 N 2.14 -1.63 0.00 5.86 4.05 -1.26 -1.54 115.26 122.88 2ooz n ASN 109 Ca -0.12 -0.98 0.00 0.00 0.45 0.00 0.00 54.58 53.92 2ooz n ASN 109 Cb 0.56 -3.28 0.00 0.00 1.23 0.00 0.00 39.78 38.29 2ooz n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2ooz n ASN 110 N -2.92 -3.47 0.00 1.20 5.03 -1.26 -4.89 115.26 108.96 2ooz n ASN 110 Ca -0.26 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.19 2ooz n ASN 110 Cb 0.66 -2.15 0.00 0.00 -1.02 0.00 0.00 39.78 37.27 2ooz n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2ooz n SER 111 N -0.45 0.00 -4.42 6.41 2.88 -0.59 -5.18 113.62 112.27 2ooz n SER 111 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2ooz n SER 111 Cb 0.22 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 2ooz n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ooz s THR 112 N -1.01 0.87 -2.28 2.46 -4.23 -1.26 -0.30 115.64 109.90 2ooz s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2ooz s THR 112 Cb 0.00 -2.26 0.70 0.00 1.34 0.00 0.00 72.50 72.28 2ooz s THR 112 CO 0.00 0.00 1.95 0.49 -0.54 0.00 0.00 174.62 176.52 2ooz n PHE 113 N -1.08 0.00 0.15 3.99 3.01 -0.89 -4.80 117.46 117.84 2ooz n PHE 113 Ca -0.12 -0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.35 2ooz n PHE 113 Cb 0.66 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.20 2ooz n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77