#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooq s ASP 2 N 0.00 3.64 0.51 6.12 -4.77 -1.26 -5.06 116.67 115.85 1ooq s ASP 2 Ca 0.00 -1.21 0.30 0.00 -3.30 0.00 0.00 52.55 48.34 1ooq s ASP 2 Cb 0.00 -0.33 0.97 0.00 -1.09 0.00 0.00 42.92 42.47 1ooq s ASP 2 CO 0.00 -0.23 1.84 0.16 0.70 0.00 0.00 175.17 177.64 1ooq h ILE 3 N 2.03 0.00 -0.24 2.11 -0.00 -2.02 -2.74 117.51 116.66 1ooq h ILE 3 Ca -0.42 -0.70 -0.07 0.00 -0.00 0.00 0.00 64.86 63.68 1ooq h ILE 3 Cb 1.25 1.69 -0.01 0.00 -0.00 0.00 0.00 36.82 39.76 1ooq h ILE 3 CO 0.71 0.00 -0.12 0.40 -0.00 0.00 0.00 178.15 179.13 1ooq h ILE 4 N 0.00 1.30 -0.46 0.16 1.08 -1.98 0.32 117.51 117.93 1ooq h ILE 4 Ca 0.00 -1.21 0.09 0.00 -0.39 0.00 0.00 64.86 63.36 1ooq h ILE 4 Cb 0.70 1.59 -0.08 0.00 -3.07 0.00 0.00 36.82 35.96 1ooq h ILE 4 CO 0.00 0.37 -0.05 -1.28 -0.69 0.00 0.00 178.15 176.50 1ooq h SER 5 N 0.21 -0.31 -0.55 1.72 0.87 -1.95 0.41 113.55 113.96 1ooq h SER 5 Ca 0.05 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1ooq h SER 5 Cb 0.63 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1ooq h SER 5 CO 0.04 -0.11 0.25 0.58 -0.53 0.00 0.00 176.83 177.06 1ooq h VAL 6 N 0.06 1.21 -0.57 2.23 2.07 -1.33 -1.91 116.25 118.01 1ooq h VAL 6 Ca 0.23 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1ooq h VAL 6 Cb 0.35 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1ooq h VAL 6 CO -0.43 0.24 0.05 0.00 0.02 0.00 0.00 177.57 177.45 1ooq h ALA 7 N 1.09 1.00 0.00 1.67 0.00 0.14 -0.49 119.26 122.68 1ooq h ALA 7 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ooq h ALA 7 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ooq h ALA 7 CO -0.02 0.62 -0.06 -0.07 0.00 0.00 0.00 179.25 179.72 1ooq h LEU 8 N 0.89 0.00 0.00 0.00 3.38 -0.86 -3.36 115.31 115.37 1ooq h LEU 8 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ooq h LEU 8 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ooq h LEU 8 CO 0.02 0.06 -1.02 0.29 0.09 0.00 0.00 178.44 177.87 1ooq n LYS 9 N -3.12 1.83 -1.87 1.13 5.02 -0.73 -4.91 118.16 115.51 1ooq n LYS 9 Ca 0.03 -0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1ooq n LYS 9 Cb 0.50 -1.16 0.04 0.00 -0.02 0.00 0.00 35.03 34.38 1ooq n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ooq s ARG 10 N -2.45 2.95 0.13 1.97 1.70 -0.21 -5.06 118.95 117.99 1ooq s ARG 10 Ca 0.00 1.40 -0.12 0.00 -0.47 0.00 0.00 55.73 56.54 1ooq s ARG 10 Cb 0.08 -1.97 0.01 0.00 -0.57 0.00 0.00 34.95 32.51 1ooq s ARG 10 CO 0.49 -1.13 0.33 -3.38 -1.08 0.00 0.00 175.30 170.52 1ooq s HIS 11 N -2.27 0.05 -0.40 5.89 -3.43 -1.26 -5.02 115.29 108.86 1ooq s HIS 11 Ca 0.67 -0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.23 1ooq s HIS 11 Cb -0.20 0.11 0.02 0.00 -1.43 0.00 0.00 32.58 31.07 1ooq s HIS 11 CO 0.39 -0.68 1.23 -1.12 -2.00 0.00 0.00 174.74 172.55 1ooq s SER 12 N -2.87 6.62 0.02 7.38 0.01 -1.26 -4.50 113.70 119.10 1ooq s SER 12 Ca 0.07 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 1ooq s SER 12 Cb 0.03 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1ooq s SER 12 CO -0.08 -1.20 1.01 0.42 0.41 0.00 0.00 173.24 173.80 1ooq s THR 13 N 4.55 4.73 -0.89 1.44 -4.23 -1.04 -4.79 115.64 115.41 1ooq s THR 13 Ca 0.53 1.98 0.21 0.00 -1.18 0.00 0.00 61.69 63.23 1ooq s THR 13 Cb -0.12 -4.27 -0.23 0.00 1.34 0.00 0.00 72.50 69.22 1ooq s THR 13 CO 0.27 0.17 0.87 0.29 -0.54 0.00 0.00 174.62 175.68 1ooq n LYS 14 N 3.80 0.08 -3.70 3.99 4.76 -1.26 -4.68 118.16 121.14 1ooq n LYS 14 Ca 0.06 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 1ooq n LYS 14 Cb 0.50 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.09 1ooq n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ooq s ALA 15 N -3.06 -1.18 0.14 7.82 0.00 -1.26 -4.85 121.76 119.37 1ooq s ALA 15 Ca 0.06 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.53 1ooq s ALA 15 Cb 0.16 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1ooq s ALA 15 CO 0.87 -0.25 0.06 -0.06 0.00 0.00 0.00 175.76 176.38 1ooq s PHE 16 N 0.67 3.04 -0.35 0.00 0.08 -1.26 -1.93 117.98 118.23 1ooq s PHE 16 Ca -0.03 -0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.80 1ooq s PHE 16 Cb -0.05 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1ooq s PHE 16 CO -0.05 0.51 0.51 0.34 -0.10 0.00 0.00 175.22 176.43 1ooq s ASP 17 N -2.78 6.31 0.30 1.36 3.68 0.00 -4.51 116.67 121.04 1ooq s ASP 17 Ca 0.29 -0.04 0.26 0.00 2.13 0.00 0.00 52.55 55.18 1ooq s ASP 17 Cb -0.11 -2.27 0.99 0.00 -1.45 0.00 0.00 42.92 40.09 1ooq s ASP 17 CO 0.21 -0.47 1.76 0.00 0.13 0.00 0.00 175.17 176.80 1ooq h ALA 18 N 8.46 1.00 0.00 3.66 0.00 -1.87 -2.76 119.26 127.75 1ooq h ALA 18 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ooq h ALA 18 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ooq h ALA 18 CO 0.77 0.00 -0.46 -1.13 0.00 0.00 0.00 179.25 178.42 1ooq n SER 19 N -2.40 0.49 -4.29 0.00 3.41 -1.26 -4.77 113.62 104.80 1ooq n SER 19 Ca 0.03 -0.05 -0.45 0.00 -0.26 0.00 0.00 58.87 58.14 1ooq n SER 19 Cb 0.29 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1ooq n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ooq s LYS 20 N -3.05 2.99 0.33 4.33 1.02 -1.04 -5.05 119.74 119.27 1ooq s LYS 20 Ca 0.10 -1.88 -0.03 0.00 0.02 0.00 0.00 55.97 54.18 1ooq s LYS 20 Cb 0.17 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1ooq s LYS 20 CO 0.68 -1.29 0.57 0.15 -0.92 0.00 0.00 175.35 174.54 1ooq s LYS 21 N 1.24 3.57 0.39 1.68 -0.14 -1.26 -4.26 119.74 120.96 1ooq s LYS 21 Ca 0.07 -0.09 -0.27 0.00 -1.36 0.00 0.00 55.97 54.31 1ooq s LYS 21 Cb -0.25 -2.63 -0.10 0.00 -1.68 0.00 0.00 37.83 33.17 1ooq s LYS 21 CO -0.00 0.15 1.43 -0.51 -0.76 0.00 0.00 175.35 175.66 1ooq s LEU 22 N -3.91 4.28 0.67 3.17 1.43 -1.26 -5.01 118.68 118.05 1ooq s LEU 22 Ca 0.43 2.93 -0.16 0.00 -1.03 0.00 0.00 54.13 56.30 1ooq s LEU 22 Cb -0.10 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.38 1ooq s LEU 22 CO 0.33 -0.89 1.17 0.28 0.23 0.00 0.00 176.35 177.47 1ooq s THR 23 N -1.15 2.75 0.32 5.49 -1.32 -1.26 -4.83 115.64 115.64 1ooq s THR 23 Ca 0.54 0.38 0.09 0.00 -1.21 0.00 0.00 61.69 61.49 1ooq s THR 23 Cb -0.44 -2.95 0.32 0.00 -1.51 0.00 0.00 72.50 67.91 1ooq s THR 23 CO 0.59 -0.19 1.77 -0.65 -2.21 0.00 0.00 174.62 173.93 1ooq h PRO 24 N 0.08 0.64 -0.44 7.08 0.11 -2.00 -2.11 132.00 135.35 1ooq h PRO 24 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1ooq h PRO 24 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ooq h PRO 24 CO 0.52 0.42 -0.21 1.49 -0.21 0.00 0.00 178.00 180.02 1ooq h GLU 25 N 0.66 0.91 -0.53 1.05 4.57 -2.00 -3.00 114.58 116.23 1ooq h GLU 25 Ca 0.59 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1ooq h GLU 25 Cb 1.07 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1ooq h GLU 25 CO -0.39 1.05 0.17 1.96 -1.18 0.00 0.00 179.01 180.62 1ooq h GLN 26 N 0.74 0.79 -0.79 1.92 4.20 -1.77 -0.04 115.11 120.17 1ooq h GLN 26 Ca 0.10 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1ooq h GLN 26 Cb 0.78 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1ooq h GLN 26 CO 0.06 0.69 0.52 0.00 -0.67 0.00 0.00 178.83 179.43 1ooq h ALA 27 N 1.41 1.46 -0.06 3.87 0.00 -1.36 0.16 119.26 124.76 1ooq h ALA 27 Ca 0.18 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1ooq h ALA 27 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ooq h ALA 27 CO -0.01 0.49 -0.85 0.93 0.00 0.00 0.00 179.25 179.80 1ooq h GLU 28 N 1.04 0.52 -0.09 0.00 4.39 -1.27 -3.29 114.58 115.89 1ooq h GLU 28 Ca 0.29 -0.49 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 1ooq h GLU 28 Cb -0.08 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1ooq h GLU 28 CO -0.07 1.12 -0.39 1.96 -1.16 0.00 0.00 179.01 180.47 1ooq h GLN 29 N 0.33 0.18 -0.05 2.33 4.20 -0.34 -2.10 115.11 119.65 1ooq h GLN 29 Ca -0.06 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 1ooq h GLN 29 Cb 1.47 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 1ooq h GLN 29 CO 0.16 0.55 -0.52 -0.84 -0.67 0.00 0.00 178.83 177.51 1ooq h ILE 30 N 0.15 1.36 -0.43 2.54 3.07 -1.09 -1.42 117.51 121.70 1ooq h ILE 30 Ca 0.02 -1.79 -0.13 0.00 1.55 0.00 0.00 64.86 64.50 1ooq h ILE 30 Cb 0.77 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 1ooq h ILE 30 CO 0.06 0.52 -0.24 0.11 -1.05 0.00 0.00 178.15 177.55 1ooq h LYS 31 N 0.12 0.88 -0.61 0.16 1.57 -1.54 -2.45 116.57 114.71 1ooq h LYS 31 Ca 0.00 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 1ooq h LYS 31 Cb 0.96 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1ooq h LYS 31 CO 0.08 1.02 0.12 1.15 -0.57 0.00 0.00 179.45 181.25 1ooq h THR 32 N 0.76 1.26 -0.62 -0.16 2.02 -1.12 -2.11 112.91 112.93 1ooq h THR 32 Ca 0.10 -0.97 0.05 0.00 0.77 0.00 0.00 66.41 66.36 1ooq h THR 32 Cb 0.79 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1ooq h THR 32 CO 0.07 0.36 0.33 -0.07 0.37 0.00 0.00 175.52 176.58 1ooq h LEU 33 N 0.90 0.49 -0.43 2.58 4.07 -1.17 -1.23 115.31 120.52 1ooq h LEU 33 Ca 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 1ooq h LEU 33 Cb 0.40 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1ooq h LEU 33 CO 0.01 0.32 0.22 -0.07 -1.08 0.00 0.00 178.44 177.84 1ooq h LEU 34 N 0.63 0.55 -0.24 1.67 3.38 -1.19 -3.13 115.31 116.97 1ooq h LEU 34 Ca 0.28 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1ooq h LEU 34 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ooq h LEU 34 CO -0.18 0.50 -0.63 -0.61 0.09 0.00 0.00 178.44 177.61 1ooq h GLN 35 N 0.56 0.86 -0.47 1.13 5.75 -1.11 -3.33 115.11 118.49 1ooq h GLN 35 Ca 0.15 -0.60 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1ooq h GLN 35 Cb 0.08 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1ooq h GLN 35 CO -0.02 1.22 0.00 0.66 -2.65 0.00 0.00 178.83 178.04 1ooq n TYR 36 N -3.98 0.63 -1.93 3.99 4.02 -0.49 -4.88 117.16 114.52 1ooq n TYR 36 Ca -0.05 -0.31 -0.41 0.00 -0.01 0.00 0.00 57.90 57.11 1ooq n TYR 36 Cb 0.67 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.99 1ooq n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ooq s SER 37 N -1.10 6.47 0.77 7.72 0.15 -1.19 -5.02 113.70 121.51 1ooq s SER 37 Ca 0.35 2.89 -0.11 0.00 0.70 0.00 0.00 55.95 59.78 1ooq s SER 37 Cb 0.18 -2.66 0.06 0.00 -1.71 0.00 0.00 66.02 61.89 1ooq s SER 37 CO 0.24 -0.77 1.10 -2.16 1.20 0.00 0.00 173.24 172.85 1ooq s PRO 38 N -2.02 2.22 0.12 5.44 0.04 -1.26 -5.02 135.00 134.51 1ooq s PRO 38 Ca 0.52 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1ooq s PRO 38 Cb -0.43 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1ooq s PRO 38 CO 0.58 -1.68 0.34 -1.54 0.04 0.00 0.00 177.00 174.74 1ooq s SER 39 N -3.29 -0.12 0.09 6.66 1.04 -1.26 -4.68 113.70 112.14 1ooq s SER 39 Ca 0.62 -0.44 -0.31 0.00 0.48 0.00 0.00 55.95 56.29 1ooq s SER 39 Cb -0.18 0.44 -0.11 0.00 0.10 0.00 0.00 66.02 66.27 1ooq s SER 39 CO 0.55 -0.82 1.87 -0.24 0.98 0.00 0.00 173.24 175.57 1ooq n SER 40 N -0.18 4.00 -0.91 7.02 2.88 -1.26 -1.56 113.62 123.61 1ooq n SER 40 Ca -0.15 0.97 -0.11 0.00 -1.33 0.00 0.00 58.87 58.25 1ooq n SER 40 Cb 0.63 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 1ooq n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ooq n THR 41 N 4.89 0.00 -2.39 2.46 -2.24 -1.26 -1.43 114.28 114.31 1ooq n THR 41 Ca 0.19 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.79 1ooq n THR 41 Cb 0.37 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.16 1ooq n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ooq n ASN 42 N -0.95 -5.22 0.27 3.42 4.05 -0.60 -4.92 115.26 111.31 1ooq n ASN 42 Ca -0.11 -0.04 0.14 0.00 0.45 0.00 0.00 54.58 55.02 1ooq n ASN 42 Cb 0.56 -4.28 0.76 0.00 1.23 0.00 0.00 39.78 38.05 1ooq n ASN 42 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1ooq h SER 43 N -0.10 0.00 -6.73 1.20 4.64 -1.44 -3.47 113.55 107.66 1ooq h SER 43 Ca -0.43 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 1ooq h SER 43 Cb 1.31 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 1ooq h SER 43 CO 0.50 0.10 -0.93 0.00 -0.87 0.00 0.00 176.83 175.63 1ooq n GLN 44 N -3.55 -2.14 -1.36 4.77 6.02 -1.26 -4.80 117.38 115.06 1ooq n GLN 44 Ca -0.02 0.27 -0.28 0.00 -0.01 0.00 0.00 57.00 56.97 1ooq n GLN 44 Cb 0.23 -4.04 -0.08 0.00 1.02 0.00 0.00 30.24 27.37 1ooq n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ooq n PRO 45 N -4.50 3.05 -4.08 -1.09 -0.04 -1.26 -4.85 135.00 122.24 1ooq n PRO 45 Ca -0.30 -2.04 -0.09 0.00 -0.04 0.00 0.00 63.50 61.03 1ooq n PRO 45 Cb 0.68 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 1ooq n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1ooq s TRP 46 N 0.49 0.56 0.05 0.54 -2.14 -1.26 -1.85 118.94 115.33 1ooq s TRP 46 Ca 0.64 -0.86 0.03 0.00 2.66 0.00 0.00 56.10 58.58 1ooq s TRP 46 Cb 0.26 -0.37 -0.02 0.00 -3.10 0.00 0.00 33.47 30.24 1ooq s TRP 46 CO -0.08 -0.26 -0.10 -1.58 -2.66 0.00 0.00 176.95 172.27 1ooq s HIS 47 N -3.04 0.90 -0.06 1.66 2.46 -0.62 -4.91 115.29 111.68 1ooq s HIS 47 Ca 0.01 -0.45 0.05 0.00 0.47 0.00 0.00 55.06 55.15 1ooq s HIS 47 Cb 0.01 -0.52 -0.01 0.00 -0.13 0.00 0.00 32.58 31.93 1ooq s HIS 47 CO -0.06 -0.02 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.91 1ooq s PHE 48 N -1.22 2.25 -0.25 3.88 0.08 -1.26 -0.66 117.98 120.80 1ooq s PHE 48 Ca -0.05 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.19 1ooq s PHE 48 Cb -0.09 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1ooq s PHE 48 CO 0.01 -0.24 0.11 0.42 -0.10 0.00 0.00 175.22 175.42 1ooq s ILE 49 N 0.00 4.70 -0.37 0.64 1.01 -0.80 -4.96 121.20 121.41 1ooq s ILE 49 Ca -0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1ooq s ILE 49 Cb -0.14 -3.21 0.06 0.00 0.01 0.00 0.00 42.46 39.18 1ooq s ILE 49 CO 0.04 0.32 0.17 -0.69 0.00 0.00 0.00 174.94 174.78 1ooq s VAL 50 N 1.57 3.91 -0.28 2.92 1.01 -1.26 -0.17 120.40 128.10 1ooq s VAL 50 Ca 0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 1ooq s VAL 50 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1ooq s VAL 50 CO 0.06 -0.34 0.28 0.00 0.00 0.00 0.00 175.10 175.10 1ooq s ALA 51 N 1.39 3.54 0.00 5.51 0.00 0.39 -4.91 121.76 127.68 1ooq s ALA 51 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1ooq s ALA 51 Cb -0.21 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1ooq s ALA 51 CO 0.02 -0.64 0.00 -1.13 0.00 0.00 0.00 175.76 174.01 1ooq n SER 52 N 5.19 0.49 -4.94 0.00 3.41 -1.26 -0.42 113.62 116.10 1ooq n SER 52 Ca -0.11 -0.36 -0.20 0.00 -0.26 0.00 0.00 58.87 57.94 1ooq n SER 52 Cb 0.51 0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 65.26 1ooq n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ooq s THR 53 N -0.91 4.01 0.26 6.66 -4.23 -1.26 -4.90 115.64 115.27 1ooq s THR 53 Ca 0.00 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1ooq s THR 53 Cb 0.00 -3.38 0.12 0.00 1.34 0.00 0.00 72.50 70.58 1ooq s THR 53 CO 0.00 -0.18 1.77 -0.33 -0.54 0.00 0.00 174.62 175.33 1ooq h GLU 54 N 1.04 0.82 -0.16 3.99 4.39 -1.97 -1.98 114.58 120.71 1ooq h GLU 54 Ca -0.46 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.02 1ooq h GLU 54 Cb 1.25 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1ooq h GLU 54 CO 0.55 0.80 0.05 0.93 -1.16 0.00 0.00 179.01 180.18 1ooq h GLU 55 N 0.77 0.26 -0.34 2.33 3.07 -1.99 -2.12 114.58 116.56 1ooq h GLU 55 Ca 0.15 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 1ooq h GLU 55 Cb 0.42 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1ooq h GLU 55 CO 0.02 0.38 -0.19 0.78 -1.40 0.00 0.00 179.01 178.60 1ooq h GLY 56 N 0.08 0.69 1.74 -3.84 0.00 -1.92 -0.99 103.07 98.82 1ooq h GLY 56 Ca 0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 1ooq h GLY 56 CO -0.00 0.50 -0.78 0.50 0.00 0.00 0.00 176.54 176.76 1ooq h LYS 57 N 0.57 0.25 -0.49 4.80 1.57 -1.42 -2.54 116.57 119.30 1ooq h LYS 57 Ca 0.09 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1ooq h LYS 57 Cb 0.65 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1ooq h LYS 57 CO 0.05 0.91 -0.07 0.00 -0.57 0.00 0.00 179.45 179.77 1ooq h ALA 58 N 1.02 0.95 -0.46 3.86 0.00 -1.10 -0.33 119.26 123.20 1ooq h ALA 58 Ca -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1ooq h ALA 58 Cb 1.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ooq h ALA 58 CO 0.12 0.62 0.01 0.00 0.00 0.00 0.00 179.25 180.01 1ooq h ARG 59 N 0.80 0.74 -0.41 0.00 3.08 -1.18 -2.74 114.38 114.67 1ooq h ARG 59 Ca 0.14 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1ooq h ARG 59 Cb 0.58 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1ooq h ARG 59 CO 0.04 0.75 -0.30 0.28 -1.07 0.00 0.00 179.97 179.66 1ooq h VAL 60 N 0.70 1.27 0.00 2.04 2.07 -1.29 -3.29 116.25 117.75 1ooq h VAL 60 Ca 0.14 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1ooq h VAL 60 Cb 0.41 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ooq h VAL 60 CO 0.02 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.10 1ooq n ALA 61 N -2.53 1.83 0.14 1.67 0.00 -0.15 -1.94 120.51 119.54 1ooq n ALA 61 Ca -0.01 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.57 1ooq n ALA 61 Cb 0.50 -1.31 0.78 0.00 0.00 0.00 0.00 19.45 19.41 1ooq n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ooq h LYS 62 N 0.00 0.00 0.00 0.00 1.79 -1.58 -2.53 116.57 114.25 1ooq h LYS 62 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ooq h LYS 62 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ooq h LYS 62 CO 0.00 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 179.03 1ooq h SER 63 N 0.00 0.00 -2.42 0.86 4.64 -1.64 -3.36 113.55 111.63 1ooq h SER 63 Ca 0.14 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.67 1ooq h SER 63 Cb 0.73 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.59 1ooq h SER 63 CO -0.00 0.00 1.21 0.00 -0.87 0.00 0.00 176.83 177.16 1ooq n ALA 64 N -2.08 5.06 -2.50 5.18 0.00 -0.95 0.05 120.51 125.28 1ooq n ALA 64 Ca 0.03 -4.59 -0.24 0.00 0.00 0.00 0.00 53.44 48.64 1ooq n ALA 64 Cb 0.46 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 17.20 1ooq n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ooq s ALA 65 N -1.29 2.72 0.00 0.00 0.00 -1.26 -4.23 121.76 117.69 1ooq s ALA 65 Ca 0.35 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1ooq s ALA 65 Cb 0.04 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1ooq s ALA 65 CO 0.05 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1ooq n GLY 66 N -0.82 1.68 0.10 0.00 0.00 -1.26 -1.73 105.19 103.16 1ooq n GLY 66 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1ooq n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ooq h ASN 67 N 0.00 0.00 -0.36 1.61 2.35 -1.98 -3.39 115.58 113.82 1ooq h ASN 67 Ca 0.00 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1ooq h ASN 67 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1ooq h ASN 67 CO 0.00 0.05 0.02 -1.22 -1.65 0.00 0.00 177.43 174.63 1ooq n TYR 68 N -2.29 1.18 0.27 1.19 0.53 -0.71 -4.62 117.16 112.72 1ooq n TYR 68 Ca 0.04 -1.21 0.14 0.00 -1.02 0.00 0.00 57.90 55.85 1ooq n TYR 68 Cb 0.45 -0.43 0.76 0.00 -1.03 0.00 0.00 39.34 39.08 1ooq n TYR 68 CO 0.00 0.00 0.00 -0.39 -1.02 0.00 0.00 176.86 175.45 1ooq h VAL 69 N 1.50 0.41 0.00 -0.72 -1.51 -1.74 -2.77 116.25 111.43 1ooq h VAL 69 Ca 0.13 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1ooq h VAL 69 Cb 1.65 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1ooq h VAL 69 CO 0.36 0.10 0.00 2.22 -1.23 0.00 0.00 177.57 179.01 1ooq n PHE 70 N -3.47 0.00 0.54 5.19 -1.74 -1.26 -2.74 117.46 113.98 1ooq n PHE 70 Ca -0.01 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.94 1ooq n PHE 70 Cb 0.25 -0.24 0.01 0.00 1.52 0.00 0.00 39.48 41.01 1ooq n PHE 70 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1ooq n ASN 71 N -1.24 1.47 -0.03 5.98 3.02 -1.04 -4.67 115.26 118.74 1ooq n ASN 71 Ca 0.08 -1.23 -0.12 0.00 -0.03 0.00 0.00 54.58 53.28 1ooq n ASN 71 Cb 0.12 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1ooq n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ooq h GLU 72 N 1.53 0.17 -0.86 3.52 4.81 -1.67 -3.11 114.58 118.97 1ooq h GLU 72 Ca 0.00 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1ooq h GLU 72 Cb 0.43 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 1ooq h GLU 72 CO 0.00 0.35 0.52 -0.09 -0.73 0.00 0.00 179.01 179.07 1ooq h ARG 73 N -0.03 0.88 -0.39 1.92 9.65 -1.83 -2.44 114.38 122.14 1ooq h ARG 73 Ca 0.03 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 1ooq h ARG 73 Cb 0.26 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1ooq h ARG 73 CO 0.00 0.59 -0.20 0.87 2.80 0.00 0.00 179.97 184.03 1ooq h LYS 74 N 0.91 0.75 0.00 0.20 1.57 -1.86 -1.44 116.57 116.70 1ooq h LYS 74 Ca 0.40 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1ooq h LYS 74 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1ooq h LYS 74 CO -0.21 0.89 -0.39 0.52 -0.57 0.00 0.00 179.45 179.69 1ooq h MET 75 N 0.66 0.00 0.00 3.15 2.86 -1.39 -2.90 114.93 117.31 1ooq h MET 75 Ca 0.10 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.48 1ooq h MET 75 Cb 0.69 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1ooq h MET 75 CO 0.05 0.39 -1.72 1.28 1.06 0.00 0.00 176.91 177.97 1ooq n LEU 76 N -3.84 0.71 0.00 1.22 4.77 -0.95 -4.49 117.00 114.41 1ooq n LEU 76 Ca -0.01 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1ooq n LEU 76 Cb 0.45 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 1ooq n LEU 76 CO 0.38 0.31 -0.55 0.47 -1.33 0.00 0.00 177.39 176.66 1ooq n ASP 77 N -2.92 0.25 -4.77 -1.43 8.00 -0.56 -4.94 116.55 110.18 1ooq n ASP 77 Ca -0.17 -0.15 -0.35 0.00 0.71 0.00 0.00 54.79 54.84 1ooq n ASP 77 Cb 0.98 1.67 0.03 0.00 -0.02 0.00 0.00 41.12 43.78 1ooq n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ooq s ALA 78 N -3.41 2.57 0.05 2.24 0.00 -1.09 -3.31 121.76 118.81 1ooq s ALA 78 Ca -0.04 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1ooq s ALA 78 Cb 0.14 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.71 1ooq s ALA 78 CO 0.89 -1.04 1.47 1.03 0.00 0.00 0.00 175.76 178.10 1ooq h SER 79 N 0.74 -0.66 -4.28 0.00 0.87 -1.73 -3.45 113.55 105.05 1ooq h SER 79 Ca -0.49 -0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.44 1ooq h SER 79 Cb 1.27 0.17 -0.26 0.00 -0.44 0.00 0.00 62.40 63.14 1ooq h SER 79 CO 0.55 -0.39 -0.85 -1.00 -0.53 0.00 0.00 176.83 174.61 1ooq s HIS 80 N -5.55 1.95 -0.15 2.24 3.76 -0.60 -4.55 115.29 112.39 1ooq s HIS 80 Ca -0.16 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1ooq s HIS 80 Cb 0.03 -1.16 0.03 0.00 1.11 0.00 0.00 32.58 32.59 1ooq s HIS 80 CO 0.58 0.10 -0.10 0.08 -0.85 0.00 0.00 174.74 174.54 1ooq s VAL 81 N -0.81 1.36 -0.23 -0.90 1.01 0.44 0.03 120.40 121.31 1ooq s VAL 81 Ca 0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1ooq s VAL 81 Cb -0.09 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ooq s VAL 81 CO 0.02 0.34 0.15 -0.69 0.00 0.00 0.00 175.10 174.92 1ooq s VAL 82 N 1.56 5.37 -0.27 2.92 1.01 -0.14 -0.46 120.40 130.38 1ooq s VAL 82 Ca 0.03 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1ooq s VAL 82 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1ooq s VAL 82 CO -0.09 0.38 0.16 -0.69 0.00 0.00 0.00 175.10 174.85 1ooq s VAL 83 N 0.82 5.00 -0.26 2.92 1.01 0.76 0.25 120.40 130.90 1ooq s VAL 83 Ca 0.08 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1ooq s VAL 83 Cb -0.13 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1ooq s VAL 83 CO 0.02 0.26 0.47 -0.36 0.00 0.00 0.00 175.10 175.49 1ooq s PHE 84 N 1.71 3.27 0.03 5.22 0.40 0.50 -1.91 117.98 127.21 1ooq s PHE 84 Ca 0.07 0.57 0.09 0.00 -0.60 0.00 0.00 56.93 57.06 1ooq s PHE 84 Cb -0.16 -2.66 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 1ooq s PHE 84 CO 0.09 -0.24 -0.26 0.00 0.70 0.00 0.00 175.22 175.50 1ooq s ALA 86 N -0.76 3.98 0.56 0.00 0.00 -0.45 -1.59 121.76 123.50 1ooq s ALA 86 Ca 0.11 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 1ooq s ALA 86 Cb -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ooq s ALA 86 CO 0.01 0.70 1.36 1.63 0.00 0.00 0.00 175.76 179.46 1ooq n LYS 87 N -0.08 1.63 0.10 0.00 5.02 -0.77 -0.84 118.16 123.23 1ooq n LYS 87 Ca -0.06 0.60 -0.16 0.00 -2.02 0.00 0.00 58.31 56.68 1ooq n LYS 87 Cb 0.52 -2.58 -0.14 0.00 -0.02 0.00 0.00 35.03 32.81 1ooq n LYS 87 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ooq h THR 88 N 1.32 1.48 -3.54 -0.18 1.35 -1.58 -3.45 112.91 108.31 1ooq h THR 88 Ca -0.51 -3.05 -0.18 0.00 -0.55 0.00 0.00 66.41 62.12 1ooq h THR 88 Cb 1.31 2.93 -0.24 0.00 -1.73 0.00 0.00 68.15 70.42 1ooq h THR 88 CO 0.57 0.89 -0.57 0.00 -0.25 0.00 0.00 175.52 176.15 1ooq s ALA 89 N -2.65 -0.24 -0.56 6.62 0.00 -1.26 -4.61 121.76 119.05 1ooq s ALA 89 Ca -0.04 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1ooq s ALA 89 Cb 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1ooq s ALA 89 CO 0.88 -0.12 0.89 1.41 0.00 0.00 0.00 175.76 178.82 1ooq s MET 90 N -0.60 3.26 0.29 0.00 1.75 -1.26 -5.04 119.30 117.70 1ooq s MET 90 Ca -0.07 -0.47 0.06 0.00 -1.25 0.00 0.00 55.69 53.97 1ooq s MET 90 Cb -0.04 -4.09 -0.02 0.00 2.84 0.00 0.00 34.83 33.51 1ooq s MET 90 CO 0.00 -1.49 0.34 0.16 -0.65 0.00 0.00 175.02 173.38 1ooq s ASP 91 N 2.95 5.81 0.37 1.11 1.47 -1.26 -5.02 116.67 122.10 1ooq s ASP 91 Ca 0.26 -0.21 0.20 0.00 1.18 0.00 0.00 52.55 53.98 1ooq s ASP 91 Cb -0.14 -1.37 0.56 0.00 -0.34 0.00 0.00 42.92 41.62 1ooq s ASP 91 CO 0.16 -0.23 1.67 0.44 0.68 0.00 0.00 175.17 177.89 1ooq h ASP 92 N 1.18 0.00 -0.11 2.11 3.32 -1.98 -2.33 116.42 118.61 1ooq h ASP 92 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1ooq h ASP 92 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1ooq h ASP 92 CO 0.58 0.34 -0.19 0.58 -1.72 0.00 0.00 179.24 178.83 1ooq h VAL 93 N 0.00 1.25 0.13 -1.35 2.07 -1.99 -1.32 116.25 115.05 1ooq h VAL 93 Ca -0.00 -1.17 -0.30 0.00 0.82 0.00 0.00 66.70 66.04 1ooq h VAL 93 Cb 1.01 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1ooq h VAL 93 CO 0.04 0.38 -1.47 -0.50 0.02 0.00 0.00 177.57 176.04 1ooq h TRP 94 N 0.46 0.51 -0.21 1.57 4.06 -1.92 -1.95 115.95 118.48 1ooq h TRP 94 Ca 0.08 -0.37 -0.00 0.00 2.06 0.00 0.00 58.89 60.65 1ooq h TRP 94 Cb 0.60 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1ooq h TRP 94 CO 0.02 1.39 0.11 -0.07 -3.56 0.00 0.00 178.44 176.33 1ooq h LEU 95 N 0.08 0.24 -0.21 -4.49 3.38 -1.39 -2.19 115.31 110.73 1ooq h LEU 95 Ca -0.22 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.52 1ooq h LEU 95 Cb 2.02 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.72 1ooq h LEU 95 CO 0.18 0.20 -0.83 0.50 0.09 0.00 0.00 178.44 178.58 1ooq h LYS 96 N 0.28 0.62 -0.38 1.13 3.64 -1.15 -2.96 116.57 117.75 1ooq h LYS 96 Ca 0.07 -0.55 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1ooq h LYS 96 Cb 0.01 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1ooq h LYS 96 CO -0.01 1.17 -0.03 1.25 -2.27 0.00 0.00 179.45 179.56 1ooq h LEU 97 N 0.40 0.59 -0.15 5.20 5.85 -1.02 -1.22 115.31 124.96 1ooq h LEU 97 Ca -0.06 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1ooq h LEU 97 Cb 1.45 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1ooq h LEU 97 CO 0.16 0.68 -0.05 0.58 -0.34 0.00 0.00 178.44 179.46 1ooq h VAL 98 N 0.58 1.30 -0.30 1.05 2.07 -1.45 -2.32 116.25 117.18 1ooq h VAL 98 Ca 0.12 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 1ooq h VAL 98 Cb 0.41 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1ooq h VAL 98 CO 0.02 0.30 -0.16 0.58 0.02 0.00 0.00 177.57 178.33 1ooq h VAL 99 N -0.02 1.24 0.00 2.57 2.07 -1.34 -2.23 116.25 118.56 1ooq h VAL 99 Ca 0.04 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1ooq h VAL 99 Cb 0.49 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1ooq h VAL 99 CO 0.02 0.36 -0.21 0.44 0.02 0.00 0.00 177.57 178.21 1ooq h ASP 100 N 0.48 0.00 0.64 0.57 3.32 -1.24 -2.03 116.42 118.15 1ooq h ASP 100 Ca 0.08 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.86 1ooq h ASP 100 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1ooq h ASP 100 CO 0.04 0.21 -1.21 -0.61 -1.72 0.00 0.00 179.24 175.94 1ooq h GLN 101 N 0.00 0.26 -0.42 3.56 5.75 -1.29 -2.72 115.11 120.25 1ooq h GLN 101 Ca -0.00 -0.44 -0.07 0.00 -0.15 0.00 0.00 58.65 57.98 1ooq h GLN 101 Cb 1.16 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.85 1ooq h GLN 101 CO 0.03 1.20 -0.05 0.93 -2.65 0.00 0.00 178.83 178.29 1ooq h GLU 102 N 0.08 0.71 -0.34 1.69 5.08 -1.29 -2.18 114.58 118.34 1ooq h GLU 102 Ca -0.12 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1ooq h GLU 102 Cb 1.94 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1ooq h GLU 102 CO 0.20 0.76 0.08 0.22 -1.00 0.00 0.00 179.01 179.26 1ooq h ASP 103 N 0.66 0.51 1.42 1.42 -0.00 -1.43 -2.48 116.42 116.52 1ooq h ASP 103 Ca 0.13 -0.24 0.00 0.00 -0.00 0.00 0.00 57.03 56.92 1ooq h ASP 103 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1ooq h ASP 103 CO 0.02 0.62 0.00 0.00 -0.00 0.00 0.00 179.24 179.88 1ooq h ALA 104 N 0.92 1.00 -0.01 -0.78 0.00 -1.37 -1.86 119.26 117.16 1ooq h ALA 104 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ooq h ALA 104 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ooq h ALA 104 CO 0.00 0.00 -0.17 -0.25 0.00 0.00 0.00 179.25 178.83 1ooq n ASP 105 N -2.84 1.40 -0.55 0.00 10.43 -0.83 -4.98 116.55 119.17 1ooq n ASP 105 Ca 0.03 -1.22 0.00 0.00 2.57 0.00 0.00 54.79 56.17 1ooq n ASP 105 Cb 0.40 0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.47 1ooq n ASP 105 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ooq n GLY 106 N 1.29 0.80 0.03 0.44 0.00 -0.70 -4.98 105.19 102.07 1ooq n GLY 106 Ca 0.14 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1ooq n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ooq n ARG 107 N -0.55 0.44 -4.74 1.61 1.74 -0.96 -4.85 116.66 109.34 1ooq n ARG 107 Ca 0.00 -0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.69 1ooq n ARG 107 Cb 0.42 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 1ooq n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ooq s PHE 108 N -3.32 2.78 -0.00 -1.55 0.08 -1.26 -5.02 117.98 109.68 1ooq s PHE 108 Ca -0.01 -0.80 -0.18 0.00 0.12 0.00 0.00 56.93 56.06 1ooq s PHE 108 Cb 0.14 -1.85 -0.34 0.00 -0.57 0.00 0.00 43.02 40.40 1ooq s PHE 108 CO 0.85 -0.31 0.95 0.00 -0.10 0.00 0.00 175.22 176.61 1ooq h ALA 109 N 6.89 -0.13 -3.24 5.36 0.00 -1.97 -3.47 119.26 122.70 1ooq h ALA 109 Ca -0.27 -0.81 -0.65 0.00 0.00 0.00 0.00 54.91 53.19 1ooq h ALA 109 Cb 1.21 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1ooq h ALA 109 CO 0.55 0.58 -0.62 0.95 0.00 0.00 0.00 179.25 180.71 1ooq s THR 110 N -2.53 4.38 -1.54 0.00 -4.23 -1.26 -5.01 115.64 105.45 1ooq s THR 110 Ca -0.11 -0.74 0.16 0.00 -1.18 0.00 0.00 61.69 59.82 1ooq s THR 110 Cb 0.03 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1ooq s THR 110 CO 0.90 0.20 1.42 -0.81 -0.54 0.00 0.00 174.62 175.79 1ooq n PRO 111 N 0.74 0.27 0.07 3.99 -0.04 -1.26 -2.45 135.00 136.32 1ooq n PRO 111 Ca -0.11 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1ooq n PRO 111 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 1ooq n PRO 111 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ooq h GLU 112 N 0.00 0.10 0.00 0.54 4.22 -2.00 -3.26 114.58 114.18 1ooq h GLU 112 Ca 0.00 -0.17 -0.11 0.00 0.08 0.00 0.00 59.36 59.16 1ooq h GLU 112 Cb 0.12 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ooq h GLU 112 CO 0.00 1.04 -0.53 0.00 -2.18 0.00 0.00 179.01 177.34 1ooq h ALA 113 N 0.83 0.76 -0.62 2.92 0.00 -1.90 -1.85 119.26 119.42 1ooq h ALA 113 Ca -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1ooq h ALA 113 Cb 1.87 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1ooq h ALA 113 CO 0.15 0.66 0.24 -0.22 0.00 0.00 0.00 179.25 180.08 1ooq h LYS 114 N 0.00 0.92 0.00 0.00 3.64 -1.66 -2.76 116.57 116.71 1ooq h LYS 114 Ca -0.01 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1ooq h LYS 114 Cb 1.24 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1ooq h LYS 114 CO 0.07 0.78 -0.59 0.00 -2.27 0.00 0.00 179.45 177.44 1ooq h ALA 115 N 1.09 0.83 0.00 5.00 0.00 -1.56 -2.69 119.26 121.94 1ooq h ALA 115 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ooq h ALA 115 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ooq h ALA 115 CO -0.02 0.74 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 1ooq h ALA 116 N 1.41 0.95 0.01 0.00 0.00 -1.28 -2.26 119.26 118.10 1ooq h ALA 116 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1ooq h ALA 116 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1ooq h ALA 116 CO 0.08 0.00 -2.03 -1.71 0.00 0.00 0.00 179.25 175.59 1ooq n ASN 117 N -2.83 0.60 -0.09 0.00 5.15 -1.05 -2.94 115.26 114.10 1ooq n ASN 117 Ca 0.04 0.22 -0.08 0.00 -0.60 0.00 0.00 54.58 54.16 1ooq n ASN 117 Cb 0.50 0.33 0.08 0.00 -0.53 0.00 0.00 39.78 40.16 1ooq n ASN 117 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1ooq h ASP 118 N 0.00 0.80 -0.41 1.20 3.58 -1.50 -1.60 116.42 118.49 1ooq h ASP 118 Ca -0.41 -0.30 -0.14 0.00 0.42 0.00 0.00 57.03 56.60 1ooq h ASP 118 Cb 2.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.93 1ooq h ASP 118 CO 0.05 1.01 -0.30 0.50 -2.88 0.00 0.00 179.24 177.63 1ooq h LYS 119 N 0.68 0.95 -0.35 0.28 3.64 -1.55 -1.15 116.57 119.07 1ooq h LYS 119 Ca 0.09 -0.45 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1ooq h LYS 119 Cb 0.76 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1ooq h LYS 119 CO 0.06 1.11 -0.27 0.78 -2.27 0.00 0.00 179.45 178.86 1ooq h GLY 120 N 0.85 0.79 1.11 5.01 0.00 -1.51 -1.00 103.07 108.32 1ooq h GLY 120 Ca 0.09 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1ooq h GLY 120 CO 0.08 0.64 0.00 -0.09 0.00 0.00 0.00 176.54 177.17 1ooq h ARG 121 N 0.63 1.06 -0.43 4.80 2.43 -1.27 -3.16 114.38 118.44 1ooq h ARG 121 Ca 0.08 -0.33 -0.13 0.00 -0.81 0.00 0.00 59.98 58.79 1ooq h ARG 121 Cb 0.78 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1ooq h ARG 121 CO 0.06 1.03 -0.23 -0.22 -1.51 0.00 0.00 179.97 179.10 1ooq h LYS 122 N 0.97 0.89 -0.62 0.20 1.63 -0.98 -0.52 116.57 118.14 1ooq h LYS 122 Ca 0.17 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1ooq h LYS 122 Cb 0.55 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1ooq h LYS 122 CO 0.03 1.03 0.35 0.35 -3.45 0.00 0.00 179.45 177.76 1ooq h PHE 123 N 0.77 0.82 0.07 1.91 3.57 -1.21 0.20 116.94 123.07 1ooq h PHE 123 Ca 0.10 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 1ooq h PHE 123 Cb 0.79 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 39.28 1ooq h PHE 123 CO 0.05 0.57 -0.82 0.74 -2.23 0.00 0.00 178.31 176.61 1ooq h PHE 124 N 0.86 0.70 -0.72 0.41 0.04 -1.49 -2.91 116.94 113.82 1ooq h PHE 124 Ca 0.22 -0.43 -0.07 0.00 2.80 0.00 0.00 57.97 60.50 1ooq h PHE 124 Cb 0.00 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1ooq h PHE 124 CO 0.00 1.28 0.20 0.00 -0.60 0.00 0.00 178.31 179.19 1ooq h ALA 125 N 0.25 0.98 0.00 2.45 0.00 -0.80 -3.01 119.26 119.13 1ooq h ALA 125 Ca -0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1ooq h ALA 125 Cb 1.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1ooq h ALA 125 CO 0.16 0.67 -0.52 -0.44 0.00 0.00 0.00 179.25 179.12 1ooq h ASP 126 N 1.09 0.00 -0.80 0.00 3.45 -0.74 -0.31 116.42 119.10 1ooq h ASP 126 Ca 0.23 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.69 1ooq h ASP 126 Cb 0.34 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 1ooq h ASP 126 CO -0.00 0.52 0.49 -0.03 -1.57 0.00 0.00 179.24 178.64 1ooq h MET 127 N 0.00 1.10 0.00 3.56 4.05 -1.38 -1.41 114.93 120.84 1ooq h MET 127 Ca -0.01 -0.10 -0.20 0.00 -0.28 0.00 0.00 59.70 59.12 1ooq h MET 127 Cb 1.26 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 1ooq h MET 127 CO 0.07 0.77 -1.63 0.72 0.23 0.00 0.00 176.91 177.06 1ooq n HIS 128 N -4.38 0.78 -0.07 1.39 8.25 -1.11 -1.38 115.22 118.70 1ooq n HIS 128 Ca 0.09 0.26 -0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1ooq n HIS 128 Cb 0.06 -1.05 -0.13 0.00 1.12 0.00 0.00 29.99 30.00 1ooq n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ooq h ARG 129 N 0.00 0.02 0.00 -0.41 3.08 -1.06 -1.35 114.38 114.66 1ooq h ARG 129 Ca -0.22 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.46 1ooq h ARG 129 Cb 1.70 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.70 1ooq h ARG 129 CO 0.05 1.02 -2.28 1.63 -1.07 0.00 0.00 179.97 179.31 1ooq n LYS 130 N -4.55 0.83 -0.08 0.04 4.01 -0.54 -4.39 118.16 113.48 1ooq n LYS 130 Ca -0.13 0.06 -0.08 0.00 -0.51 0.00 0.00 58.31 57.64 1ooq n LYS 130 Cb 0.53 -1.46 -0.03 0.00 -0.51 0.00 0.00 35.03 33.56 1ooq n LYS 130 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ooq n ASP 131 N -2.91 1.86 0.12 4.39 10.43 -1.19 -4.69 116.55 124.55 1ooq n ASP 131 Ca -0.35 0.37 0.12 0.00 2.57 0.00 0.00 54.79 57.50 1ooq n ASP 131 Cb 1.02 -0.75 0.13 0.00 1.84 0.00 0.00 41.12 43.36 1ooq n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1ooq h LEU 132 N -0.97 0.00 -1.06 0.64 3.38 -1.44 -3.48 115.31 112.37 1ooq h LEU 132 Ca 0.00 -0.06 -0.43 0.00 0.09 0.00 0.00 57.88 57.48 1ooq h LEU 132 Cb 0.89 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.69 1ooq h LEU 132 CO 0.00 0.03 -0.74 1.41 0.09 0.00 0.00 178.44 179.23 1ooq n HIS 133 N -2.57 -2.48 -2.17 1.13 8.25 -1.10 -4.93 115.22 111.35 1ooq n HIS 133 Ca 0.02 0.94 0.03 0.00 -0.26 0.00 0.00 57.72 58.46 1ooq n HIS 133 Cb 0.50 -4.50 0.09 0.00 1.12 0.00 0.00 29.99 27.20 1ooq n HIS 133 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1ooq n ASP 134 N -2.95 1.48 0.08 0.41 5.75 -0.54 -4.89 116.55 115.90 1ooq n ASP 134 Ca -0.03 -2.78 -0.01 0.00 -0.01 0.00 0.00 54.79 51.96 1ooq n ASP 134 Cb 0.56 -0.40 0.28 0.00 -1.03 0.00 0.00 41.12 40.53 1ooq n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1ooq h ASP 135 N 1.16 0.31 -0.83 -1.12 2.03 -1.84 -0.03 116.42 116.09 1ooq h ASP 135 Ca -0.11 -0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 56.06 1ooq h ASP 135 Cb 1.51 -0.08 -0.04 0.00 -0.83 0.00 0.00 39.33 39.89 1ooq h ASP 135 CO 0.10 0.57 0.41 0.00 -1.03 0.00 0.00 179.24 179.29 1ooq h ALA 136 N 1.46 1.14 -0.08 4.15 0.00 -1.89 -0.99 119.26 123.04 1ooq h ALA 136 Ca 0.04 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1ooq h ALA 136 Cb 0.61 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ooq h ALA 136 CO 0.04 0.65 -0.82 0.93 0.00 0.00 0.00 179.25 180.05 1ooq h GLU 137 N 1.19 0.59 -0.53 0.00 4.39 -1.79 -2.24 114.58 116.18 1ooq h GLU 137 Ca 0.29 -0.52 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 1ooq h GLU 137 Cb 0.11 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1ooq h GLU 137 CO -0.04 1.14 0.03 2.35 -1.16 0.00 0.00 179.01 181.34 1ooq h TRP 138 N 0.38 0.99 -0.23 4.33 7.01 -0.82 -1.55 115.95 126.07 1ooq h TRP 138 Ca -0.06 -0.16 -0.15 0.00 2.11 0.00 0.00 58.89 60.63 1ooq h TRP 138 Cb 1.44 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.23 1ooq h TRP 138 CO 0.07 0.90 -0.49 0.52 -2.79 0.00 0.00 178.44 176.65 1ooq h MET 139 N 0.80 0.62 -0.44 2.65 2.86 -1.23 -3.04 114.93 117.16 1ooq h MET 139 Ca 0.16 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1ooq h MET 139 Cb 0.48 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1ooq h MET 139 CO 0.02 0.97 -0.02 0.00 1.06 0.00 0.00 176.91 178.95 1ooq h ALA 140 N 0.96 1.16 -0.84 6.32 0.00 -1.30 -2.48 119.26 123.08 1ooq h ALA 140 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ooq h ALA 140 Cb 1.04 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1ooq h ALA 140 CO 0.10 0.54 0.56 0.87 0.00 0.00 0.00 179.25 181.32 1ooq h LYS 141 N 0.67 1.02 -0.24 0.00 1.57 -1.18 -1.60 116.57 116.80 1ooq h LYS 141 Ca 0.13 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1ooq h LYS 141 Cb 0.44 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1ooq h LYS 141 CO 0.02 0.67 -0.49 1.96 -0.57 0.00 0.00 179.45 181.05 1ooq h GLN 142 N 1.05 0.66 -0.41 3.15 1.08 -1.34 -2.05 115.11 117.24 1ooq h GLN 142 Ca 0.34 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 1ooq h GLN 142 Cb 0.03 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1ooq h GLN 142 CO -0.10 1.00 0.05 0.28 -0.95 0.00 0.00 178.83 179.10 1ooq h VAL 143 N 0.52 1.21 -0.23 -0.54 2.07 -1.16 -1.50 116.25 116.61 1ooq h VAL 143 Ca 0.03 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1ooq h VAL 143 Cb 1.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ooq h VAL 143 CO 0.10 0.28 -0.44 1.88 0.02 0.00 0.00 177.57 179.41 1ooq h TYR 144 N 0.61 0.71 -0.75 1.57 -1.99 -1.08 -1.16 116.97 114.88 1ooq h TYR 144 Ca 0.13 -0.22 0.08 0.00 2.00 0.00 0.00 58.73 60.73 1ooq h TYR 144 Cb 0.32 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 38.83 1ooq h TYR 144 CO 0.01 0.92 0.41 1.25 -0.00 0.00 0.00 178.16 180.76 1ooq h LEU 145 N 0.47 0.59 -0.56 3.88 6.46 -1.04 -1.59 115.31 123.52 1ooq h LEU 145 Ca 0.03 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1ooq h LEU 145 Cb 0.96 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 1ooq h LEU 145 CO 0.09 0.35 0.34 -1.13 -0.62 0.00 0.00 178.44 177.47 1ooq h ASN 146 N 0.72 0.67 -0.65 1.25 -0.00 -0.90 -1.77 115.58 114.90 1ooq h ASN 146 Ca 0.36 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.60 1ooq h ASN 146 Cb 0.31 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1ooq h ASN 146 CO -0.23 0.52 0.38 0.58 -0.00 0.00 0.00 177.43 178.68 1ooq h VAL 147 N 0.76 1.19 -0.25 2.57 2.07 -0.72 0.49 116.25 122.36 1ooq h VAL 147 Ca 0.20 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ooq h VAL 147 Cb -0.03 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1ooq h VAL 147 CO -0.04 0.20 0.14 1.23 0.02 0.00 0.00 177.57 179.13 1ooq h GLY 148 N 0.89 0.36 0.63 2.17 0.00 -1.10 0.71 103.07 106.73 1ooq h GLY 148 Ca 0.23 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1ooq h GLY 148 CO -0.04 0.15 0.32 -0.57 0.00 0.00 0.00 176.54 176.40 1ooq h ASN 149 N 0.29 0.45 -0.58 0.19 -1.24 -1.09 -2.99 115.58 110.61 1ooq h ASN 149 Ca 0.09 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.03 1ooq h ASN 149 Cb 0.05 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1ooq h ASN 149 CO -0.01 0.29 -0.06 0.15 -1.29 0.00 0.00 177.43 176.50 1ooq h PHE 150 N 0.59 1.18 -0.41 0.67 3.57 -0.46 -2.05 116.94 120.02 1ooq h PHE 150 Ca 0.29 -0.23 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 1ooq h PHE 150 Cb 0.22 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ooq h PHE 150 CO -0.10 1.06 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.76 1ooq h LEU 151 N 0.96 0.90 -0.52 0.59 3.38 -0.74 -1.31 115.31 118.56 1ooq h LEU 151 Ca 0.16 -0.41 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 1ooq h LEU 151 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ooq h LEU 151 CO 0.04 1.11 -0.57 0.25 0.09 0.00 0.00 178.44 179.36 1ooq h LEU 152 N 0.69 0.58 -0.19 1.67 5.85 -1.57 -2.89 115.31 119.45 1ooq h LEU 152 Ca 0.09 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1ooq h LEU 152 Cb 0.77 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1ooq h LEU 152 CO 0.06 1.03 0.02 1.23 -0.34 0.00 0.00 178.44 180.44 1ooq h GLY 153 N 1.10 0.35 1.78 3.75 0.00 -1.20 -1.07 103.07 107.79 1ooq h GLY 153 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1ooq h GLY 153 CO 0.10 0.22 -0.42 -0.39 0.00 0.00 0.00 176.54 176.06 1ooq h VAL 154 N 0.11 1.31 -0.37 4.60 -1.51 -1.33 -1.61 116.25 117.45 1ooq h VAL 154 Ca 0.06 -1.54 -0.07 0.00 -1.23 0.00 0.00 66.70 63.92 1ooq h VAL 154 Cb 0.33 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 1ooq h VAL 154 CO 0.01 0.46 -0.07 0.00 -1.23 0.00 0.00 177.57 176.73 1ooq h ALA 155 N 1.37 1.19 0.00 5.19 0.00 -1.40 -0.34 119.26 125.26 1ooq h ALA 155 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ooq h ALA 155 Cb 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ooq h ALA 155 CO 0.07 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1ooq h ALA 156 N 1.35 1.00 -0.02 0.00 0.00 -0.60 -2.09 119.26 118.90 1ooq h ALA 156 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ooq h ALA 156 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ooq h ALA 156 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1ooq n LEU 157 N -3.09 0.34 -0.18 0.00 4.77 -0.66 -4.90 117.00 113.28 1ooq n LEU 157 Ca 0.02 -0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 55.86 1ooq n LEU 157 Cb 0.42 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ooq n LEU 157 CO 0.30 0.06 -0.02 0.61 -1.33 0.00 0.00 177.39 177.02 1ooq n GLY 158 N 0.94 0.42 3.76 -0.72 0.00 -0.79 -5.05 105.19 103.76 1ooq n GLY 158 Ca 0.18 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1ooq n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ooq s LEU 159 N -0.49 3.72 0.15 0.99 1.02 -0.18 -5.02 118.68 118.87 1ooq s LEU 159 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.03 1ooq s LEU 159 Cb 0.00 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1ooq s LEU 159 CO 0.00 0.13 0.34 -1.81 0.02 0.00 0.00 176.35 175.03 1ooq s ASP 160 N -2.66 6.41 0.19 2.29 -0.00 0.85 -3.70 116.67 120.06 1ooq s ASP 160 Ca 0.29 0.42 -0.21 0.00 -0.00 0.00 0.00 52.55 53.06 1ooq s ASP 160 Cb -0.11 -2.02 0.05 0.00 -0.00 0.00 0.00 42.92 40.83 1ooq s ASP 160 CO 0.22 0.04 0.59 0.00 -0.00 0.00 0.00 175.17 176.02 1ooq s ALA 161 N -1.72 -1.30 -0.12 5.23 0.00 -1.26 -0.66 121.76 121.93 1ooq s ALA 161 Ca 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1ooq s ALA 161 Cb -0.12 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1ooq s ALA 161 CO 0.27 -0.83 0.28 0.54 0.00 0.00 0.00 175.76 176.02 1ooq s VAL 162 N -3.82 -0.11 0.16 0.00 0.11 -1.04 -2.50 120.40 113.19 1ooq s VAL 162 Ca 0.05 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1ooq s VAL 162 Cb -0.02 -0.43 -0.07 0.00 -1.53 0.00 0.00 36.38 34.33 1ooq s VAL 162 CO -0.06 0.07 0.95 -2.16 -3.33 0.00 0.00 175.10 170.57 1ooq s PRO 163 N 1.51 4.75 -0.18 1.54 0.04 -1.26 -3.28 135.00 138.12 1ooq s PRO 163 Ca -0.07 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1ooq s PRO 163 Cb -0.10 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1ooq s PRO 163 CO -0.09 0.32 -0.20 0.42 0.04 0.00 0.00 177.00 177.50 1ooq s ILE 164 N -0.43 2.04 -0.30 0.56 1.01 0.13 -4.93 121.20 119.29 1ooq s ILE 164 Ca 0.45 -0.95 0.22 0.00 0.00 0.00 0.00 60.65 60.37 1ooq s ILE 164 Cb -0.24 -1.86 -0.21 0.00 0.01 0.00 0.00 42.46 40.16 1ooq s ILE 164 CO 0.31 0.52 0.77 -0.62 0.00 0.00 0.00 174.94 175.91 1ooq n GLU 165 N 4.62 0.50 -2.04 2.79 1.02 -1.26 -1.69 120.64 124.58 1ooq n GLU 165 Ca -0.21 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.44 1ooq n GLU 165 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1ooq n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ooq n GLY 166 N 1.29 3.88 3.35 0.62 0.00 -1.26 -4.86 105.19 108.21 1ooq n GLY 166 Ca -0.01 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1ooq n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ooq s PHE 167 N 3.33 0.01 -0.36 1.61 -0.12 -1.26 -4.77 117.98 116.42 1ooq s PHE 167 Ca 0.49 -0.37 -0.23 0.00 -0.05 0.00 0.00 56.93 56.77 1ooq s PHE 167 Cb 0.10 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.67 1ooq s PHE 167 CO -0.03 -0.73 0.76 0.34 -0.05 0.00 0.00 175.22 175.51 1ooq s ASP 168 N -2.87 6.53 0.17 1.98 -1.08 0.11 -4.94 116.67 116.56 1ooq s ASP 168 Ca 0.08 0.31 -0.04 0.00 -0.52 0.00 0.00 52.55 52.37 1ooq s ASP 168 Cb 0.02 -2.39 0.04 0.00 -1.46 0.00 0.00 42.92 39.13 1ooq s ASP 168 CO -0.07 -0.72 1.44 0.00 0.52 0.00 0.00 175.17 176.34 1ooq h ALA 169 N 8.49 0.58 -0.43 3.66 0.00 -1.89 -2.51 119.26 127.16 1ooq h ALA 169 Ca -0.25 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 1ooq h ALA 169 Cb 1.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ooq h ALA 169 CO 0.90 0.72 0.03 0.00 0.00 0.00 0.00 179.25 180.89 1ooq h ALA 170 N 0.87 1.25 -0.08 0.00 0.00 -1.94 -0.69 119.26 118.67 1ooq h ALA 170 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1ooq h ALA 170 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ooq h ALA 170 CO 0.12 0.50 -0.18 0.82 0.00 0.00 0.00 179.25 180.51 1ooq h ILE 171 N 0.64 1.40 -0.63 0.00 2.04 -1.92 -2.24 117.51 116.80 1ooq h ILE 171 Ca 0.13 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1ooq h ILE 171 Cb 0.36 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 1ooq h ILE 171 CO 0.01 0.42 0.27 0.25 0.00 0.00 0.00 178.15 179.10 1ooq h LEU 172 N -0.19 0.86 -1.13 1.44 6.46 -1.42 -2.00 115.31 119.33 1ooq h LEU 172 Ca 0.00 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1ooq h LEU 172 Cb 0.78 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 1ooq h LEU 172 CO 0.04 0.78 0.59 0.44 -0.62 0.00 0.00 178.44 179.67 1ooq h ASP 173 N 0.88 1.01 0.61 1.25 5.19 -1.15 -2.63 116.42 121.59 1ooq h ASP 173 Ca 0.21 -0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1ooq h ASP 173 Cb 0.18 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1ooq h ASP 173 CO -0.02 0.73 -0.70 0.00 -3.12 0.00 0.00 179.24 176.13 1ooq h ALA 174 N 1.45 0.81 -0.05 3.45 0.00 -1.13 0.17 119.26 123.96 1ooq h ALA 174 Ca 0.33 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1ooq h ALA 174 Cb -0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ooq h ALA 174 CO -0.08 0.84 -0.82 1.49 0.00 0.00 0.00 179.25 180.68 1ooq h GLU 175 N 0.05 0.44 -0.16 0.00 4.57 -1.01 -3.23 114.58 115.23 1ooq h GLU 175 Ca -0.01 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1ooq h GLU 175 Cb 1.24 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1ooq h GLU 175 CO 0.10 1.05 0.00 1.19 -1.18 0.00 0.00 179.01 180.17 1ooq n PHE 176 N -3.81 0.19 -3.23 0.92 3.72 -1.05 -4.99 117.46 109.21 1ooq n PHE 176 Ca -0.06 -0.14 -0.16 0.00 -0.05 0.00 0.00 57.45 57.05 1ooq n PHE 176 Cb 0.76 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.35 1ooq n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ooq n GLY 177 N 0.98 -0.06 0.13 1.37 0.00 -0.53 -4.94 105.19 102.14 1ooq n GLY 177 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1ooq n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ooq h LEU 178 N -1.80 0.00 -0.45 0.99 3.38 -0.99 -3.23 115.31 113.20 1ooq h LEU 178 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1ooq h LEU 178 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ooq h LEU 178 CO 0.38 0.67 0.03 0.11 0.09 0.00 0.00 178.44 179.72 1ooq h LYS 179 N 0.00 0.78 0.00 1.13 1.57 -1.73 0.34 116.57 118.66 1ooq h LYS 179 Ca -0.01 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 1ooq h LYS 179 Cb 1.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1ooq h LYS 179 CO 0.09 0.83 -0.63 1.05 -0.57 0.00 0.00 179.45 180.21 1ooq h GLU 180 N 0.64 0.00 0.00 3.15 9.09 -1.89 -2.58 114.58 122.98 1ooq h GLU 180 Ca 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 1ooq h GLU 180 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1ooq h GLU 180 CO 0.02 0.63 -0.00 0.87 0.05 0.00 0.00 179.01 180.57 1ooq h LYS 181 N 0.00 0.00 0.00 1.06 1.57 -1.49 -3.47 116.57 114.24 1ooq h LYS 181 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ooq h LYS 181 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ooq h LYS 181 CO 0.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 1ooq n GLY 182 N 0.44 1.91 3.16 3.86 0.00 0.49 -5.05 105.19 110.01 1ooq n GLY 182 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ooq n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ooq s TYR 183 N -2.00 0.92 -0.01 1.61 1.51 0.91 -1.47 117.35 118.81 1ooq s TYR 183 Ca 0.00 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.27 1ooq s TYR 183 Cb 0.00 -0.52 -0.00 0.00 -0.11 0.00 0.00 41.96 41.33 1ooq s TYR 183 CO 0.00 -0.10 -0.06 0.99 -1.11 0.00 0.00 175.55 175.27 1ooq s THR 184 N -3.12 0.54 0.15 -0.71 2.01 -0.02 -3.32 115.64 111.17 1ooq s THR 184 Ca 0.08 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1ooq s THR 184 Cb 0.02 -0.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 1ooq s THR 184 CO -0.03 0.17 0.95 -0.94 -0.69 0.00 0.00 174.62 174.08 1ooq s SER 185 N 0.04 7.54 0.06 3.53 1.04 -1.26 -1.34 113.70 123.30 1ooq s SER 185 Ca -0.00 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1ooq s SER 185 Cb -0.05 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1ooq s SER 185 CO -0.00 0.01 0.00 0.18 0.98 0.00 0.00 173.24 174.41 1ooq n LEU 186 N 2.37 0.54 -4.00 2.42 4.77 0.01 -4.86 117.00 118.24 1ooq n LEU 186 Ca 0.01 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 1ooq n LEU 186 Cb 0.48 -0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1ooq n LEU 186 CO 0.51 -0.40 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.04 1ooq s VAL 187 N -2.00 0.83 -0.21 4.08 1.01 -1.17 -4.78 120.40 118.15 1ooq s VAL 187 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1ooq s VAL 187 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1ooq s VAL 187 CO 0.00 0.26 0.09 -0.69 0.00 0.00 0.00 175.10 174.76 1ooq s VAL 188 N 0.25 4.84 -0.34 2.92 1.01 -0.68 -0.37 120.40 128.03 1ooq s VAL 188 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1ooq s VAL 188 Cb -0.09 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1ooq s VAL 188 CO 0.01 0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.88 1ooq s VAL 189 N 0.86 1.96 0.15 2.92 1.01 0.14 0.21 120.40 127.64 1ooq s VAL 189 Ca 0.05 -2.15 -0.31 0.00 0.00 0.00 0.00 61.98 59.57 1ooq s VAL 189 Cb -0.13 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1ooq s VAL 189 CO 0.03 -0.62 1.30 -2.84 0.00 0.00 0.00 175.10 172.97 1ooq s PRO 190 N 1.04 4.39 -0.03 2.72 0.02 -1.20 -0.97 135.00 140.97 1ooq s PRO 190 Ca 0.11 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.16 1ooq s PRO 190 Cb -0.19 -3.24 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 1ooq s PRO 190 CO -0.12 -0.30 -0.16 0.54 -0.33 0.00 0.00 177.00 176.64 1ooq s VAL 191 N 0.59 1.29 0.00 3.83 0.11 0.10 -2.50 120.40 123.82 1ooq s VAL 191 Ca 0.59 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1ooq s VAL 191 Cb -0.35 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1ooq s VAL 191 CO 0.34 0.37 0.00 0.61 -3.33 0.00 0.00 175.10 173.09 1ooq n GLY 192 N 2.92 -0.67 3.03 6.54 0.00 0.17 -1.56 105.19 115.61 1ooq n GLY 192 Ca -0.16 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1ooq n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ooq s HIS 193 N -1.36 1.09 0.62 1.61 3.76 -1.26 -0.10 115.29 119.65 1ooq s HIS 193 Ca 0.00 -0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 1ooq s HIS 193 Cb 0.00 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 1ooq s HIS 193 CO 0.00 -0.10 1.16 -3.38 -0.85 0.00 0.00 174.74 171.57 1ooq s HIS 194 N 0.13 2.46 0.59 1.40 -3.43 -1.26 -0.82 115.29 114.36 1ooq s HIS 194 Ca -0.03 1.55 0.08 0.00 -0.80 0.00 0.00 55.06 55.86 1ooq s HIS 194 Cb -0.09 -3.35 0.09 0.00 -1.43 0.00 0.00 32.58 27.80 1ooq s HIS 194 CO 0.01 -1.98 0.81 -1.54 -2.00 0.00 0.00 174.74 170.04 1ooq s SER 195 N -1.98 5.00 0.49 7.38 1.04 -0.81 -4.40 113.70 120.42 1ooq s SER 195 Ca 0.73 -0.74 0.33 0.00 0.48 0.00 0.00 55.95 56.75 1ooq s SER 195 Cb -0.26 0.19 1.49 0.00 0.10 0.00 0.00 66.02 67.53 1ooq s SER 195 CO 0.36 -1.40 1.98 0.58 0.98 0.00 0.00 173.24 175.74 1ooq h VAL 196 N 0.08 0.00 -0.00 5.02 2.07 -1.96 -2.49 116.25 118.97 1ooq h VAL 196 Ca -0.31 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ooq h VAL 196 Cb 1.28 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1ooq h VAL 196 CO 0.41 0.00 -0.03 -0.62 0.02 0.00 0.00 177.57 177.35 1ooq n GLU 197 N -2.82 0.55 -2.34 1.57 4.71 -1.26 -4.62 120.64 116.42 1ooq n GLU 197 Ca 0.00 -0.06 -0.39 0.00 -0.01 0.00 0.00 57.16 56.70 1ooq n GLU 197 Cb 0.22 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1ooq n GLU 197 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ooq s ASP 198 N -2.49 5.82 0.49 1.62 3.68 -0.94 -4.64 116.67 120.20 1ooq s ASP 198 Ca 0.31 -0.31 0.28 0.00 2.13 0.00 0.00 52.55 54.96 1ooq s ASP 198 Cb 0.20 -2.55 0.94 0.00 -1.45 0.00 0.00 42.92 40.06 1ooq s ASP 198 CO 0.46 -2.06 1.83 2.19 0.13 0.00 0.00 175.17 177.71 1ooq h PHE 199 N 11.78 0.00 -0.00 -5.34 -5.15 -1.89 -3.01 116.94 113.32 1ooq h PHE 199 Ca -0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 1ooq h PHE 199 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.25 1ooq h PHE 199 CO 1.12 0.06 -0.01 -1.71 -2.00 0.00 0.00 178.31 175.77 1ooq n ASN 200 N -3.15 0.01 0.12 -0.68 5.15 -1.26 -3.64 115.26 111.81 1ooq n ASN 200 Ca 0.02 0.38 -0.00 0.00 -0.60 0.00 0.00 54.58 54.37 1ooq n ASN 200 Cb 0.41 -0.45 0.28 0.00 -0.53 0.00 0.00 39.78 39.49 1ooq n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ooq h ALA 201 N 3.07 1.24 -0.01 5.20 0.00 -1.84 -3.28 119.26 123.65 1ooq h ALA 201 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ooq h ALA 201 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ooq h ALA 201 CO 0.00 0.52 -0.26 0.25 0.00 0.00 0.00 179.25 179.76 1ooq n THR 202 N -4.08 0.00 -2.99 0.00 -2.24 -1.24 -5.00 114.28 98.73 1ooq n THR 202 Ca -0.01 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 1ooq n THR 202 Cb 0.43 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 1ooq n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ooq s LEU 203 N -1.81 4.13 0.47 3.22 1.43 -1.24 -5.04 118.68 119.84 1ooq s LEU 203 Ca 0.07 1.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.46 1ooq s LEU 203 Cb 0.08 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 1ooq s LEU 203 CO 0.29 -0.18 1.10 -2.84 0.23 0.00 0.00 176.35 174.95 1ooq s PRO 204 N -2.69 3.78 0.06 1.29 0.02 -1.26 -5.01 135.00 131.19 1ooq s PRO 204 Ca 0.53 1.59 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 1ooq s PRO 204 Cb -0.12 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.06 1ooq s PRO 204 CO 0.18 -0.49 0.95 0.21 -0.33 0.00 0.00 177.00 177.51 1ooq s LYS 205 N -2.88 4.63 -0.12 5.54 2.20 -1.26 -5.04 119.74 122.80 1ooq s LYS 205 Ca 0.65 1.40 0.03 0.00 -0.36 0.00 0.00 55.97 57.69 1ooq s LYS 205 Cb -0.24 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1ooq s LYS 205 CO 0.28 0.12 -0.22 0.45 -0.36 0.00 0.00 175.35 175.62 1ooq s SER 206 N 0.39 3.00 0.04 1.43 0.15 -1.26 -5.11 113.70 112.33 1ooq s SER 206 Ca 0.48 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1ooq s SER 206 Cb -0.22 -1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 1ooq s SER 206 CO 0.28 0.10 -0.05 -0.13 1.20 0.00 0.00 173.24 174.65 1ooq s ARG 207 N 0.67 0.47 0.40 5.44 1.81 -1.26 -5.15 118.95 121.34 1ooq s ARG 207 Ca -0.11 -0.82 -0.26 0.00 -1.72 0.00 0.00 55.73 52.81 1ooq s ARG 207 Cb -0.16 -0.02 -0.10 0.00 -0.45 0.00 0.00 34.95 34.22 1ooq s ARG 207 CO 0.02 -0.03 1.34 1.28 -0.68 0.00 0.00 175.30 177.23 1ooq n LEU 208 N 1.15 4.27 -4.72 2.53 4.32 -1.26 -4.99 117.00 118.30 1ooq n LEU 208 Ca -0.21 1.15 -0.31 0.00 -0.02 0.00 0.00 56.01 56.62 1ooq n LEU 208 Cb 0.56 -1.54 0.13 0.00 -1.62 0.00 0.00 43.42 40.96 1ooq n LEU 208 CO 0.22 -0.39 0.70 -2.16 -1.22 0.00 0.00 177.39 174.54 1ooq s PRO 209 N -2.17 1.61 0.49 3.23 0.04 -1.26 -4.88 135.00 132.06 1ooq s PRO 209 Ca 0.59 1.40 0.28 0.00 0.04 0.00 0.00 61.00 63.31 1ooq s PRO 209 Cb -0.50 -1.81 1.13 0.00 0.04 0.00 0.00 34.50 33.36 1ooq s PRO 209 CO 0.60 -2.17 1.91 1.96 0.04 0.00 0.00 177.00 179.34 1ooq h GLN 210 N -1.46 0.00 0.00 4.56 4.20 -1.94 -2.56 115.11 117.91 1ooq h GLN 210 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1ooq h GLN 210 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ooq h GLN 210 CO 0.46 0.13 0.00 0.27 -0.67 0.00 0.00 178.83 179.02 1ooq n ASN 211 N -3.30 0.00 -0.13 1.46 0.23 -1.26 -0.66 115.26 111.61 1ooq n ASN 211 Ca 0.00 0.12 -0.25 0.00 -0.53 0.00 0.00 54.58 53.93 1ooq n ASN 211 Cb 0.37 -0.33 -0.11 0.00 -2.08 0.00 0.00 39.78 37.63 1ooq n ASN 211 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ooq n ILE 212 N -1.33 1.53 0.27 1.53 5.41 -0.99 -4.80 119.36 120.97 1ooq n ILE 212 Ca 0.08 -0.44 0.11 0.00 1.00 0.00 0.00 62.75 63.50 1ooq n ILE 212 Cb 0.16 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.36 1ooq n ILE 212 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ooq n THR 213 N -3.89 0.35 -4.53 1.39 -2.24 -1.09 -4.92 114.28 99.35 1ooq n THR 213 Ca -0.49 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 60.61 1ooq n THR 213 Cb 0.92 -0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.89 1ooq n THR 213 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ooq s LEU 214 N -4.67 1.63 -0.13 3.22 0.20 0.17 -5.06 118.68 114.02 1ooq s LEU 214 Ca 0.00 -0.32 -0.00 0.00 0.69 0.00 0.00 54.13 54.50 1ooq s LEU 214 Cb 0.12 -0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 44.99 1ooq s LEU 214 CO 0.81 0.02 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.87 1ooq s THR 215 N 0.78 3.05 -0.29 3.68 2.01 -1.26 -4.59 115.64 119.02 1ooq s THR 215 Ca -0.12 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 1ooq s THR 215 Cb -0.16 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1ooq s THR 215 CO 0.02 0.52 0.17 -1.61 -0.69 0.00 0.00 174.62 173.04 1ooq s GLU 216 N 0.42 3.73 0.00 4.92 2.02 -1.26 -5.24 118.70 123.29 1ooq s GLU 216 Ca -0.10 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.45 1ooq s GLU 216 Cb -0.16 -3.62 0.02 0.00 0.10 0.00 0.00 34.13 30.47 1ooq s GLU 216 CO 0.05 -0.26 0.57 1.33 0.02 0.00 0.00 175.26 176.96