#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooq h ILE 3 N 0.00 0.67 -0.37 5.18 6.09 -2.03 -3.22 117.51 123.85 1ooq h ILE 3 Ca 0.00 -2.03 -0.14 0.00 -1.37 0.00 0.00 64.86 61.32 1ooq h ILE 3 Cb 0.00 2.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.53 1ooq h ILE 3 CO 0.00 0.38 -0.33 0.40 -3.07 0.00 0.00 178.15 175.54 1ooq h ILE 4 N 0.00 1.28 -0.48 2.19 1.08 -2.04 -1.38 117.51 118.16 1ooq h ILE 4 Ca -0.04 -1.49 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 1ooq h ILE 4 Cb 1.39 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.44 1ooq h ILE 4 CO 0.05 0.49 0.18 0.28 -0.69 0.00 0.00 178.15 178.47 1ooq h SER 5 N 0.69 0.20 1.06 1.72 0.02 -1.98 -0.87 113.55 114.38 1ooq h SER 5 Ca 0.07 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1ooq h SER 5 Cb 0.88 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1ooq h SER 5 CO 0.08 0.14 -0.56 -0.37 -1.14 0.00 0.00 176.83 174.99 1ooq h VAL 6 N 0.36 1.09 -0.41 2.27 -1.51 -1.55 -0.68 116.25 115.82 1ooq h VAL 6 Ca 0.22 -2.16 -0.14 0.00 -1.23 0.00 0.00 66.70 63.40 1ooq h VAL 6 Cb 0.22 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1ooq h VAL 6 CO -0.22 0.55 -0.30 0.00 -1.23 0.00 0.00 177.57 176.37 1ooq h ALA 7 N 1.44 0.70 0.00 5.19 0.00 -0.99 -0.76 119.26 124.84 1ooq h ALA 7 Ca -0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1ooq h ALA 7 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ooq h ALA 7 CO 0.07 0.67 -0.34 -0.07 0.00 0.00 0.00 179.25 179.58 1ooq h LEU 8 N 0.76 0.00 0.00 0.00 3.38 -1.03 -3.35 115.31 115.06 1ooq h LEU 8 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ooq h LEU 8 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ooq h LEU 8 CO 0.08 0.34 -1.18 0.29 0.09 0.00 0.00 178.44 178.05 1ooq n LYS 9 N -3.24 0.96 -2.28 1.13 5.02 -0.27 -4.92 118.16 114.56 1ooq n LYS 9 Ca 0.02 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.87 1ooq n LYS 9 Cb 0.62 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.87 3.93 0.08 1.97 1.70 -0.30 -5.04 118.95 118.42 1ooq s ARG 10 Ca 0.02 1.81 0.03 0.00 -0.47 0.00 0.00 55.73 57.12 1ooq s ARG 10 Cb 0.13 -2.56 -0.03 0.00 -0.57 0.00 0.00 34.95 31.91 1ooq s ARG 10 CO 0.73 -0.41 -0.10 -3.38 -1.08 0.00 0.00 175.30 171.07 1ooq s HIS 11 N -1.47 0.96 -0.26 5.89 -3.43 -1.26 -5.02 115.29 110.70 1ooq s HIS 11 Ca 0.60 -0.63 -0.29 0.00 -0.80 0.00 0.00 55.06 53.94 1ooq s HIS 11 Cb -0.30 -0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 30.30 1ooq s HIS 11 CO 0.37 -0.03 1.43 -1.12 -2.00 0.00 0.00 174.74 173.39 1ooq s SER 12 N -2.25 6.56 -0.12 7.38 0.01 -1.26 -4.37 113.70 119.66 1ooq s SER 12 Ca 0.02 1.40 -0.16 0.00 1.31 0.00 0.00 55.95 58.52 1ooq s SER 12 Cb -0.04 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1ooq s SER 12 CO -0.00 -1.14 0.39 0.42 0.41 0.00 0.00 173.24 173.32 1ooq s THR 13 N 4.68 5.21 -0.14 1.44 -4.23 -1.18 -4.84 115.64 116.59 1ooq s THR 13 Ca 0.63 0.77 0.22 0.00 -1.18 0.00 0.00 61.69 62.12 1ooq s THR 13 Cb -0.20 -3.72 -0.17 0.00 1.34 0.00 0.00 72.50 69.74 1ooq s THR 13 CO 0.25 0.39 0.74 0.29 -0.54 0.00 0.00 174.62 175.76 1ooq n LYS 14 N 3.32 0.63 -3.80 3.99 4.76 -1.26 -4.65 118.16 121.15 1ooq n LYS 14 Ca -0.10 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.19 1ooq n LYS 14 Cb 0.52 -1.68 -0.15 0.00 -1.84 0.00 0.00 35.03 31.88 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 -3.36 0.01 0.12 7.82 0.00 -1.26 -4.74 121.76 120.34 1ooq s ALA 15 Ca -0.04 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1ooq s ALA 15 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1ooq s ALA 15 CO 0.85 -0.08 -0.06 -0.06 0.00 0.00 0.00 175.76 176.41 1ooq s PHE 16 N 0.69 2.81 -0.24 0.00 0.08 -1.26 -2.39 117.98 117.67 1ooq s PHE 16 Ca -0.06 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.63 1ooq s PHE 16 Cb -0.08 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1ooq s PHE 16 CO -0.02 0.46 0.77 0.34 -0.10 0.00 0.00 175.22 176.67 1ooq s ASP 17 N -2.41 6.77 0.51 1.36 -1.08 -0.57 -4.46 116.67 116.79 1ooq s ASP 17 Ca 0.24 0.95 0.30 0.00 -0.52 0.00 0.00 52.55 53.52 1ooq s ASP 17 Cb -0.11 -2.41 1.29 0.00 -1.46 0.00 0.00 42.92 40.23 1ooq s ASP 17 CO 0.16 -0.46 1.97 0.00 0.52 0.00 0.00 175.17 177.36 1ooq h ALA 18 N 7.70 1.06 0.00 3.66 0.00 -1.89 -3.11 119.26 126.68 1ooq h ALA 18 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ooq h ALA 18 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ooq h ALA 18 CO 0.84 0.14 -1.28 -1.13 0.00 0.00 0.00 179.25 177.82 1ooq n SER 19 N -3.31 0.55 -4.53 0.00 3.41 -1.26 -4.76 113.62 103.72 1ooq n SER 19 Ca -0.00 0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1ooq n SER 19 Cb 0.32 0.96 -0.05 0.00 -0.26 0.00 0.00 64.21 65.19 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 -3.36 3.37 0.16 4.33 -0.14 -1.18 -5.04 119.74 117.87 1ooq s LYS 20 Ca -0.01 -0.20 0.04 0.00 -1.36 0.00 0.00 55.97 54.43 1ooq s LYS 20 Cb 0.12 -4.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.23 1ooq s LYS 20 CO 0.82 -1.34 0.23 0.15 -0.76 0.00 0.00 175.35 174.46 1ooq s LYS 21 N 3.67 3.23 0.37 1.68 -0.14 -1.26 -4.48 119.74 122.81 1ooq s LYS 21 Ca 0.30 -0.71 -0.27 0.00 -1.36 0.00 0.00 55.97 53.93 1ooq s LYS 21 Cb -0.12 -2.84 -0.10 0.00 -1.68 0.00 0.00 37.83 33.09 1ooq s LYS 21 CO 0.21 0.50 1.32 -0.51 -0.76 0.00 0.00 175.35 176.11 1ooq s LEU 22 N -3.21 4.32 0.69 3.17 1.43 -1.26 -5.03 118.68 118.79 1ooq s LEU 22 Ca 0.33 2.71 -0.14 0.00 -1.03 0.00 0.00 54.13 56.00 1ooq s LEU 22 Cb -0.11 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.36 1ooq s LEU 22 CO 0.27 -0.71 1.13 0.42 0.23 0.00 0.00 176.35 177.68 1ooq s THR 23 N -1.19 3.06 0.46 5.49 -4.23 -1.26 -4.80 115.64 113.17 1ooq s THR 23 Ca 0.53 0.48 0.25 0.00 -1.18 0.00 0.00 61.69 61.76 1ooq s THR 23 Cb -0.40 -2.99 0.44 0.00 1.34 0.00 0.00 72.50 70.90 1ooq s THR 23 CO 0.52 -0.32 1.82 -0.65 -0.54 0.00 0.00 174.62 175.45 1ooq h PRO 24 N -0.20 0.23 -0.16 3.99 0.11 -1.99 -0.37 132.00 133.60 1ooq h PRO 24 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1ooq h PRO 24 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ooq h PRO 24 CO 0.53 0.15 0.01 1.49 -0.21 0.00 0.00 178.00 179.97 1ooq h GLU 25 N 0.23 0.28 -0.38 1.05 4.81 -2.00 -2.91 114.58 115.65 1ooq h GLU 25 Ca 0.53 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.58 1ooq h GLU 25 Cb 1.65 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 1ooq h GLU 25 CO -0.16 0.48 -0.19 1.96 -0.73 0.00 0.00 179.01 180.38 1ooq h GLN 26 N 0.04 0.73 -0.90 1.92 4.20 -1.73 -1.47 115.11 117.89 1ooq h GLN 26 Ca 0.05 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.49 1ooq h GLN 26 Cb 0.35 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1ooq h GLN 26 CO 0.01 0.86 0.59 0.00 -0.67 0.00 0.00 178.83 179.62 1ooq h ALA 27 N 1.15 1.35 -0.17 3.87 0.00 -1.12 -1.39 119.26 122.94 1ooq h ALA 27 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1ooq h ALA 27 Cb 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ooq h ALA 27 CO 0.05 0.60 -0.67 1.49 0.00 0.00 0.00 179.25 180.72 1ooq h GLU 28 N 1.22 0.67 0.00 0.00 4.57 -1.29 -3.24 114.58 116.51 1ooq h GLU 28 Ca 0.33 -0.49 -0.09 0.00 -1.18 0.00 0.00 59.36 57.93 1ooq h GLU 28 Cb -0.13 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1ooq h GLU 28 CO -0.07 1.11 -0.44 1.96 -1.18 0.00 0.00 179.01 180.39 1ooq h GLN 29 N 0.48 0.00 -0.34 1.92 4.20 -0.80 -2.15 115.11 118.41 1ooq h GLN 29 Ca -0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1ooq h GLN 29 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1ooq h GLN 29 CO 0.13 0.44 -0.00 0.82 -0.67 0.00 0.00 178.83 179.55 1ooq h ILE 30 N 0.00 1.26 -0.48 2.54 5.03 -1.32 -2.17 117.51 122.37 1ooq h ILE 30 Ca -0.00 -0.98 -0.08 0.00 -0.12 0.00 0.00 64.86 63.68 1ooq h ILE 30 Cb 0.79 1.21 -0.02 0.00 -3.03 0.00 0.00 36.82 35.78 1ooq h ILE 30 CO 0.06 0.32 -0.03 0.11 -0.68 0.00 0.00 178.15 177.93 1ooq h LYS 31 N 0.42 0.81 -0.73 2.37 1.57 -1.53 -2.55 116.57 116.93 1ooq h LYS 31 Ca 0.10 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1ooq h LYS 31 Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1ooq h LYS 31 CO 0.02 0.83 0.40 1.15 -0.57 0.00 0.00 179.45 181.28 1ooq h THR 32 N 0.75 1.22 -0.51 -0.16 2.02 -1.28 -1.99 112.91 112.96 1ooq h THR 32 Ca 0.14 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1ooq h THR 32 Cb 0.49 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ooq h THR 32 CO 0.02 0.25 -0.09 -0.07 0.37 0.00 0.00 175.52 176.00 1ooq h LEU 33 N 1.01 0.92 -0.58 2.58 3.38 -1.11 -1.79 115.31 119.72 1ooq h LEU 33 Ca 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ooq h LEU 33 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1ooq h LEU 33 CO -0.04 1.03 0.29 -0.07 0.09 0.00 0.00 178.44 179.74 1ooq h LEU 34 N 0.84 0.76 -0.40 1.67 3.38 -1.33 -3.12 115.31 117.11 1ooq h LEU 34 Ca 0.14 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1ooq h LEU 34 Cb 0.62 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ooq h LEU 34 CO 0.04 0.67 -0.36 -0.61 0.09 0.00 0.00 178.44 178.27 1ooq h GLN 35 N 0.79 0.94 -0.59 1.13 4.15 -1.08 -3.33 115.11 117.13 1ooq h GLN 35 Ca 0.20 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1ooq h GLN 35 Cb 0.11 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1ooq h GLN 35 CO -0.03 1.14 0.00 0.66 -1.93 0.00 0.00 178.83 178.68 1ooq n TYR 36 N -4.07 0.78 -1.80 3.99 4.02 -0.70 -4.93 117.16 114.45 1ooq n TYR 36 Ca -0.02 -0.42 -0.39 0.00 -0.01 0.00 0.00 57.90 57.06 1ooq n TYR 36 Cb 0.53 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.88 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 -1.15 5.67 0.74 7.72 0.15 -1.18 -5.02 113.70 120.63 1ooq s SER 37 Ca 0.43 2.86 -0.11 0.00 0.70 0.00 0.00 55.95 59.83 1ooq s SER 37 Cb 0.23 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1ooq s SER 37 CO 0.31 -1.31 1.07 -2.16 1.20 0.00 0.00 173.24 172.36 1ooq s PRO 38 N -2.61 2.58 0.06 5.44 0.04 -1.26 -5.04 135.00 134.22 1ooq s PRO 38 Ca 0.65 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1ooq s PRO 38 Cb -0.42 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1ooq s PRO 38 CO 0.53 -1.34 0.38 -1.54 0.04 0.00 0.00 177.00 175.07 1ooq s SER 39 N -3.74 -0.22 0.10 6.66 1.04 -1.26 -4.71 113.70 111.58 1ooq s SER 39 Ca 0.59 -0.14 -0.33 0.00 0.48 0.00 0.00 55.95 56.55 1ooq s SER 39 Cb -0.15 0.42 -0.13 0.00 0.10 0.00 0.00 66.02 66.26 1ooq s SER 39 CO 0.55 -0.70 1.70 -0.24 0.98 0.00 0.00 173.24 175.53 1ooq n SER 40 N 0.33 3.39 -0.78 7.02 2.88 -1.26 -1.79 113.62 123.42 1ooq n SER 40 Ca -0.18 1.04 -0.10 0.00 -1.33 0.00 0.00 58.87 58.30 1ooq n SER 40 Cb 0.61 -1.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.58 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 4.07 0.00 -2.71 2.46 -2.24 -1.26 -1.22 114.28 113.39 1ooq n THR 41 Ca 0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.76 1ooq n THR 41 Cb 0.31 -1.43 0.01 0.00 -2.10 0.00 0.00 70.33 67.11 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 -1.06 -5.38 0.24 3.42 4.05 -0.74 -4.89 115.26 110.89 1ooq n ASN 42 Ca -0.10 -0.10 0.10 0.00 0.45 0.00 0.00 54.58 54.93 1ooq n ASN 42 Cb 0.57 -4.44 0.61 0.00 1.23 0.00 0.00 39.78 37.74 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 -0.55 0.00 -6.85 1.20 4.64 -1.36 -3.47 113.55 107.17 1ooq h SER 43 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1ooq h SER 43 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1ooq h SER 43 CO 0.53 0.18 -1.00 0.00 -0.87 0.00 0.00 176.83 175.68 1ooq n GLN 44 N -3.76 -0.55 -1.88 4.77 6.02 -1.26 -4.81 117.38 115.91 1ooq n GLN 44 Ca -0.02 0.13 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 1ooq n GLN 44 Cb 0.29 -2.92 -0.02 0.00 1.02 0.00 0.00 30.24 28.62 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 -4.88 4.00 -4.06 -1.09 -0.04 -1.26 -4.89 135.00 122.77 1ooq n PRO 45 Ca -0.14 -3.20 -0.09 0.00 -0.04 0.00 0.00 63.50 60.03 1ooq n PRO 45 Cb 0.59 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.49 0.51 0.09 0.54 -2.14 -1.26 -1.69 118.94 113.50 1ooq s TRP 46 Ca 0.55 -0.81 0.07 0.00 2.66 0.00 0.00 56.10 58.56 1ooq s TRP 46 Cb 0.24 -0.35 -0.03 0.00 -3.10 0.00 0.00 33.47 30.23 1ooq s TRP 46 CO -0.14 -0.25 -0.17 -1.58 -2.66 0.00 0.00 176.95 172.15 1ooq s HIS 47 N -2.82 1.50 -0.05 1.66 2.46 -0.76 -4.91 115.29 112.37 1ooq s HIS 47 Ca -0.01 -0.44 0.05 0.00 0.47 0.00 0.00 55.06 55.13 1ooq s HIS 47 Cb -0.00 -0.83 -0.01 0.00 -0.13 0.00 0.00 32.58 31.61 1ooq s HIS 47 CO -0.05 0.13 -0.22 -0.06 -2.47 0.00 0.00 174.74 172.07 1ooq s PHE 48 N -1.26 2.18 -0.27 3.88 0.08 -1.26 -0.92 117.98 120.40 1ooq s PHE 48 Ca 0.03 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.38 1ooq s PHE 48 Cb -0.10 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1ooq s PHE 48 CO 0.03 -0.20 0.04 0.42 -0.10 0.00 0.00 175.22 175.42 1ooq s ILE 49 N -0.10 3.77 -0.38 0.64 1.01 -0.84 -4.98 121.20 120.32 1ooq s ILE 49 Ca -0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1ooq s ILE 49 Cb -0.13 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1ooq s ILE 49 CO 0.03 0.17 0.24 -0.69 0.00 0.00 0.00 174.94 174.69 1ooq s VAL 50 N 1.48 4.90 -0.37 2.92 1.01 -1.26 -0.72 120.40 128.36 1ooq s VAL 50 Ca 0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1ooq s VAL 50 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1ooq s VAL 50 CO 0.01 -0.23 0.31 0.00 0.00 0.00 0.00 175.10 175.19 1ooq s ALA 51 N 1.62 3.48 -0.01 5.51 0.00 0.02 -4.89 121.76 127.49 1ooq s ALA 51 Ca 0.04 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1ooq s ALA 51 Cb -0.19 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1ooq s ALA 51 CO 0.08 -1.23 0.03 -1.13 0.00 0.00 0.00 175.76 173.51 1ooq n SER 52 N 5.25 4.50 -4.87 0.00 3.41 -1.26 -0.89 113.62 119.76 1ooq n SER 52 Ca -0.11 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.19 1ooq n SER 52 Cb 0.48 0.82 0.01 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 -2.10 4.70 0.15 6.66 -4.23 -1.26 -4.89 115.64 114.67 1ooq s THR 53 Ca -0.01 0.89 0.19 0.00 -1.18 0.00 0.00 61.69 61.58 1ooq s THR 53 Cb 0.01 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1ooq s THR 53 CO 0.09 -1.10 1.72 -0.33 -0.54 0.00 0.00 174.62 174.46 1ooq h GLU 54 N -0.20 0.00 -0.22 3.99 4.39 -1.96 -2.03 114.58 118.55 1ooq h GLU 54 Ca -0.44 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.07 1ooq h GLU 54 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1ooq h GLU 54 CO 0.62 0.37 -0.62 0.93 -1.16 0.00 0.00 179.01 179.15 1ooq h GLU 55 N 0.00 0.75 -0.33 2.33 3.07 -1.99 -2.48 114.58 115.92 1ooq h GLU 55 Ca -0.00 -0.51 -0.09 0.00 -0.50 0.00 0.00 59.36 58.26 1ooq h GLU 55 Cb 0.91 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 1ooq h GLU 55 CO 0.05 1.13 -0.14 0.78 -1.40 0.00 0.00 179.01 179.44 1ooq h GLY 56 N 0.80 0.73 2.00 -3.84 0.00 -1.90 -2.71 103.07 98.16 1ooq h GLY 56 Ca -0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 1ooq h GLY 56 CO 0.13 0.59 -0.33 0.50 0.00 0.00 0.00 176.54 177.42 1ooq h LYS 57 N 0.45 0.00 -0.03 4.80 1.57 -1.43 -2.46 116.57 119.47 1ooq h LYS 57 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1ooq h LYS 57 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1ooq h LYS 57 CO 0.04 0.33 -0.66 0.00 -0.57 0.00 0.00 179.45 178.60 1ooq h ALA 58 N 1.67 0.84 -0.38 3.86 0.00 -1.40 -1.29 119.26 122.55 1ooq h ALA 58 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1ooq h ALA 58 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ooq h ALA 58 CO 0.04 0.79 -0.36 0.00 0.00 0.00 0.00 179.25 179.72 1ooq h ARG 59 N 0.09 0.90 -0.63 0.00 3.08 -1.13 -2.89 114.38 113.79 1ooq h ARG 59 Ca -0.01 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 1ooq h ARG 59 Cb 1.17 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1ooq h ARG 59 CO 0.09 1.10 0.04 0.28 -1.07 0.00 0.00 179.97 180.42 1ooq h VAL 60 N 0.74 1.26 0.00 2.04 2.07 -1.39 -3.10 116.25 117.87 1ooq h VAL 60 Ca 0.07 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1ooq h VAL 60 Cb 0.94 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ooq h VAL 60 CO 0.09 0.41 0.00 0.00 0.02 0.00 0.00 177.57 178.09 1ooq n ALA 61 N -2.48 1.64 0.30 1.67 0.00 -0.49 -2.21 120.51 118.94 1ooq n ALA 61 Ca 0.04 0.06 0.19 0.00 0.00 0.00 0.00 53.44 53.73 1ooq n ALA 61 Cb 0.33 -1.36 0.90 0.00 0.00 0.00 0.00 19.45 19.32 1ooq n ALA 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ooq h LYS 62 N 0.00 0.00 0.00 0.00 1.63 -1.43 -2.64 116.57 114.13 1ooq h LYS 62 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ooq h LYS 62 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1ooq h LYS 62 CO 0.00 0.02 0.00 0.66 -3.45 0.00 0.00 179.45 176.68 1ooq h SER 63 N 0.00 0.00 -1.78 4.20 4.64 -1.64 -3.32 113.55 115.64 1ooq h SER 63 Ca -0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ooq h SER 63 Cb 0.30 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.03 1ooq h SER 63 CO 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 176.83 176.04 1ooq n ALA 64 N -1.86 5.69 -0.12 5.18 0.00 -0.99 -0.06 120.51 128.35 1ooq n ALA 64 Ca 0.04 -4.27 -0.15 0.00 0.00 0.00 0.00 53.44 49.06 1ooq n ALA 64 Cb 0.37 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 1ooq n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ooq n ALA 65 N -0.48 1.47 -1.14 0.00 0.00 -1.25 -3.52 120.51 115.59 1ooq n ALA 65 Ca 0.45 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1ooq n ALA 65 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ooq n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ooq n GLY 66 N 2.09 -0.17 0.24 0.00 0.00 -1.26 -4.49 105.19 101.60 1ooq n GLY 66 Ca -0.40 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.68 1.61 4.21 -1.95 -3.37 115.58 114.40 1ooq h ASN 67 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1ooq h ASN 67 Cb 0.00 0.00 -0.42 0.00 -1.12 0.00 0.00 38.32 36.78 1ooq h ASN 67 CO 0.00 0.03 -0.78 -1.22 -1.29 0.00 0.00 177.43 174.17 1ooq n TYR 68 N -3.12 3.16 0.22 1.19 4.02 -1.26 -4.83 117.16 116.55 1ooq n TYR 68 Ca 0.02 -3.35 0.09 0.00 -0.01 0.00 0.00 57.90 54.66 1ooq n TYR 68 Cb 0.44 -0.24 0.51 0.00 -0.02 0.00 0.00 39.34 40.03 1ooq n TYR 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ooq h VAL 69 N 2.65 0.73 0.00 -0.72 2.07 -1.74 -3.08 116.25 116.16 1ooq h VAL 69 Ca 0.20 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1ooq h VAL 69 Cb 0.84 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1ooq h VAL 69 CO 0.78 0.24 0.00 2.22 0.02 0.00 0.00 177.57 180.83 1ooq n PHE 70 N -3.59 0.00 0.82 1.57 1.16 -1.26 -2.90 117.46 113.26 1ooq n PHE 70 Ca -0.01 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.66 1ooq n PHE 70 Cb 0.38 -0.40 -0.01 0.00 -1.61 0.00 0.00 39.48 37.84 1ooq n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1ooq n ASN 71 N -1.40 1.76 -0.09 5.98 3.02 -1.16 -4.51 115.26 118.86 1ooq n ASN 71 Ca 0.08 -1.38 -0.11 0.00 -0.03 0.00 0.00 54.58 53.14 1ooq n ASN 71 Cb 0.23 0.49 0.02 0.00 -0.61 0.00 0.00 39.78 39.90 1ooq n ASN 71 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1ooq h GLU 72 N 1.99 0.84 -0.06 3.52 5.08 -1.69 -3.16 114.58 121.11 1ooq h GLU 72 Ca 0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1ooq h GLU 72 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ooq h GLU 72 CO 0.00 1.07 -0.24 0.00 -1.00 0.00 0.00 179.01 178.84 1ooq h ARG 73 N 0.69 0.09 -0.43 2.33 2.47 -1.80 -2.33 114.38 115.41 1ooq h ARG 73 Ca 0.06 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1ooq h ARG 73 Cb 0.94 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1ooq h ARG 73 CO 0.09 0.33 -0.18 0.87 0.56 0.00 0.00 179.97 181.64 1ooq h LYS 74 N 0.09 0.88 0.00 0.04 1.57 -1.83 -2.48 116.57 114.83 1ooq h LYS 74 Ca 0.01 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1ooq h LYS 74 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ooq h LYS 74 CO 0.03 1.02 -0.33 0.52 -0.57 0.00 0.00 179.45 180.12 1ooq h MET 75 N 0.70 0.00 0.08 3.15 2.86 -1.43 -3.16 114.93 117.14 1ooq h MET 75 Ca 0.10 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.39 1ooq h MET 75 Cb 0.74 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1ooq h MET 75 CO 0.06 0.33 -1.96 1.28 1.06 0.00 0.00 176.91 177.68 1ooq n LEU 76 N -3.37 2.14 -0.01 1.22 4.77 -0.92 -4.57 117.00 116.26 1ooq n LEU 76 Ca 0.01 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1ooq n LEU 76 Cb 0.54 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1ooq n LEU 76 CO 0.36 0.73 -0.45 0.44 -1.33 0.00 0.00 177.39 177.14 1ooq h ASP 77 N 0.05 0.00 -4.07 -1.43 3.45 -1.53 -3.47 116.42 109.42 1ooq h ASP 77 Ca -0.40 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.53 1ooq h ASP 77 Cb 2.03 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 40.91 1ooq h ASP 77 CO 0.08 0.92 0.50 0.00 -1.57 0.00 0.00 179.24 179.17 1ooq s ALA 78 N -2.66 2.69 0.04 3.45 0.00 -1.19 -3.66 121.76 120.42 1ooq s ALA 78 Ca -0.04 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 1ooq s ALA 78 Cb 0.08 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 1ooq s ALA 78 CO 0.82 -1.10 1.50 1.03 0.00 0.00 0.00 175.76 178.01 1ooq h SER 79 N 1.24 -0.25 -4.27 0.00 0.87 -1.64 -3.44 113.55 106.07 1ooq h SER 79 Ca -0.50 -0.12 -0.60 0.00 -1.23 0.00 0.00 61.79 59.33 1ooq h SER 79 Cb 1.29 0.06 -0.30 0.00 -0.44 0.00 0.00 62.40 63.01 1ooq h SER 79 CO 0.57 -0.02 -0.85 -1.00 -0.53 0.00 0.00 176.83 174.99 1ooq s HIS 80 N -5.42 1.88 -0.24 2.24 3.76 -0.82 -4.49 115.29 112.20 1ooq s HIS 80 Ca -0.15 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1ooq s HIS 80 Cb 0.04 -1.23 0.06 0.00 1.11 0.00 0.00 32.58 32.56 1ooq s HIS 80 CO 0.62 -0.08 -0.05 0.08 -0.85 0.00 0.00 174.74 174.46 1ooq s VAL 81 N -0.33 1.57 -0.26 -0.90 1.01 -0.07 0.48 120.40 121.90 1ooq s VAL 81 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 1ooq s VAL 81 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1ooq s VAL 81 CO 0.00 -0.11 0.27 0.54 0.00 0.00 0.00 175.10 175.81 1ooq s VAL 82 N 1.37 5.26 -0.26 2.92 0.11 -0.70 -0.80 120.40 128.30 1ooq s VAL 82 Ca -0.06 0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 1ooq s VAL 82 Cb -0.19 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 1ooq s VAL 82 CO -0.06 0.23 0.53 0.68 -3.33 0.00 0.00 175.10 173.14 1ooq s VAL 83 N 1.75 5.06 -0.19 2.04 -7.23 0.10 -0.18 120.40 121.76 1ooq s VAL 83 Ca 0.11 0.91 -0.23 0.00 -1.81 0.00 0.00 61.98 60.97 1ooq s VAL 83 Cb -0.15 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 1ooq s VAL 83 CO 0.09 0.08 0.72 -0.36 -0.31 0.00 0.00 175.10 175.33 1ooq s PHE 84 N 2.32 3.39 0.08 2.82 0.40 0.12 -1.98 117.98 125.12 1ooq s PHE 84 Ca 0.22 1.08 0.10 0.00 -0.60 0.00 0.00 56.93 57.72 1ooq s PHE 84 Cb -0.16 -2.90 -0.03 0.00 0.51 0.00 0.00 43.02 40.44 1ooq s PHE 84 CO 0.09 -0.21 -0.26 0.00 0.70 0.00 0.00 175.22 175.53 1ooq s ALA 86 N -0.92 3.11 0.43 0.00 0.00 -0.13 -1.82 121.76 122.43 1ooq s ALA 86 Ca 0.12 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1ooq s ALA 86 Cb -0.10 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 1ooq s ALA 86 CO 0.04 0.66 1.43 0.15 0.00 0.00 0.00 175.76 178.03 1ooq s LYS 87 N -2.30 3.82 0.05 0.00 1.02 -0.68 -0.60 119.74 121.05 1ooq s LYS 87 Ca 0.24 2.43 0.10 0.00 0.02 0.00 0.00 55.97 58.75 1ooq s LYS 87 Cb -0.11 -2.75 -0.22 0.00 -0.52 0.00 0.00 37.83 34.24 1ooq s LYS 87 CO 0.16 -0.71 1.02 1.79 -0.92 0.00 0.00 175.35 176.69 1ooq h THR 88 N 2.49 1.33 -3.20 2.17 1.35 -1.75 -3.45 112.91 111.84 1ooq h THR 88 Ca -0.51 -3.10 -0.17 0.00 -0.55 0.00 0.00 66.41 62.09 1ooq h THR 88 Cb 1.26 2.66 -0.25 0.00 -1.73 0.00 0.00 68.15 70.08 1ooq h THR 88 CO 0.62 0.76 -0.45 0.00 -0.25 0.00 0.00 175.52 176.20 1ooq s ALA 89 N -2.67 -0.56 -0.78 6.62 0.00 -1.26 -4.64 121.76 118.47 1ooq s ALA 89 Ca -0.01 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.33 1ooq s ALA 89 Cb 0.09 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.99 1ooq s ALA 89 CO 0.82 -0.12 0.99 1.41 0.00 0.00 0.00 175.76 178.86 1ooq s MET 90 N -0.02 3.34 0.51 0.00 1.75 -1.26 -5.03 119.30 118.60 1ooq s MET 90 Ca -0.01 -1.42 -0.01 0.00 -1.25 0.00 0.00 55.69 53.00 1ooq s MET 90 Cb -0.02 -4.56 0.01 0.00 2.84 0.00 0.00 34.83 33.10 1ooq s MET 90 CO 0.01 -1.73 0.75 0.16 -0.65 0.00 0.00 175.02 173.56 1ooq s ASP 91 N 3.59 5.58 0.45 1.11 1.47 -1.26 -5.01 116.67 122.60 1ooq s ASP 91 Ca 0.25 0.28 0.26 0.00 1.18 0.00 0.00 52.55 54.52 1ooq s ASP 91 Cb -0.12 -1.35 0.67 0.00 -0.34 0.00 0.00 42.92 41.78 1ooq s ASP 91 CO -0.00 -0.93 1.73 0.44 0.68 0.00 0.00 175.17 177.08 1ooq h ASP 92 N 0.16 0.00 -0.38 2.11 3.45 -1.99 -2.86 116.42 116.91 1ooq h ASP 92 Ca -0.45 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.89 1ooq h ASP 92 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1ooq h ASP 92 CO 0.56 0.00 -0.24 0.58 -1.57 0.00 0.00 179.24 178.58 1ooq h VAL 93 N 0.00 1.27 -0.29 -1.35 2.07 -1.99 -2.29 116.25 113.67 1ooq h VAL 93 Ca 0.00 -1.39 -0.19 0.00 0.82 0.00 0.00 66.70 65.95 1ooq h VAL 93 Cb 0.83 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1ooq h VAL 93 CO 0.00 0.47 -0.55 -0.25 0.02 0.00 0.00 177.57 177.26 1ooq h TRP 94 N 0.76 1.10 -0.44 1.57 2.91 -1.92 -0.97 115.95 118.96 1ooq h TRP 94 Ca 0.10 -0.39 -0.03 0.00 1.13 0.00 0.00 58.89 59.70 1ooq h TRP 94 Cb 0.79 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 1ooq h TRP 94 CO 0.05 1.22 0.14 -0.07 -1.03 0.00 0.00 178.44 178.75 1ooq h LEU 95 N 0.67 0.58 -0.14 0.65 4.07 -1.54 -1.72 115.31 117.88 1ooq h LEU 95 Ca 0.02 -0.08 -0.21 0.00 0.08 0.00 0.00 57.88 57.68 1ooq h LEU 95 Cb 1.15 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1ooq h LEU 95 CO 0.12 0.56 -0.98 0.07 -1.08 0.00 0.00 178.44 177.14 1ooq h LYS 96 N 0.63 0.16 -0.62 1.13 5.09 -1.33 -2.99 116.57 118.64 1ooq h LYS 96 Ca 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 60.65 60.65 1ooq h LYS 96 Cb 0.19 0.07 -0.03 0.00 0.10 0.00 0.00 32.23 32.56 1ooq h LYS 96 CO -0.01 1.01 0.27 -0.07 -2.09 0.00 0.00 179.45 178.57 1ooq h LEU 97 N 0.07 0.80 -0.03 7.07 3.38 -0.79 -2.28 115.31 123.53 1ooq h LEU 97 Ca -0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1ooq h LEU 97 Cb 1.66 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1ooq h LEU 97 CO 0.15 0.69 -0.15 0.58 0.09 0.00 0.00 178.44 179.80 1ooq h VAL 98 N 0.87 1.49 0.00 1.22 2.07 -1.34 -2.41 116.25 118.15 1ooq h VAL 98 Ca 0.21 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 1ooq h VAL 98 Cb 0.13 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1ooq h VAL 98 CO -0.02 0.45 -0.47 1.62 0.02 0.00 0.00 177.57 179.17 1ooq h VAL 99 N -0.45 1.31 -0.02 2.57 3.04 -1.54 -1.22 116.25 119.94 1ooq h VAL 99 Ca -0.01 -1.62 -0.19 0.00 -1.01 0.00 0.00 66.70 63.87 1ooq h VAL 99 Cb 0.82 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 1ooq h VAL 99 CO 0.03 0.46 -0.81 0.44 -1.01 0.00 0.00 177.57 176.68 1ooq h ASP 100 N 0.00 0.34 -0.35 3.17 3.32 -1.47 -1.34 116.42 120.09 1ooq h ASP 100 Ca -0.00 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.65 1ooq h ASP 100 Cb 0.84 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1ooq h ASP 100 CO 0.06 1.01 -0.32 -0.61 -1.72 0.00 0.00 179.24 177.67 1ooq h GLN 101 N 0.17 0.88 -0.10 3.56 5.75 -1.22 -0.74 115.11 123.42 1ooq h GLN 101 Ca -0.04 -0.42 -0.05 0.00 -0.15 0.00 0.00 58.65 57.99 1ooq h GLN 101 Cb 1.41 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 1ooq h GLN 101 CO 0.13 1.07 -0.15 0.93 -2.65 0.00 0.00 178.83 178.16 1ooq h GLU 102 N 0.74 0.15 -0.08 1.69 5.08 -1.14 -1.63 114.58 119.40 1ooq h GLU 102 Ca 0.08 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ooq h GLU 102 Cb 0.88 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ooq h GLU 102 CO 0.08 0.31 -0.24 0.22 -1.00 0.00 0.00 179.01 178.37 1ooq h ASP 103 N 0.14 0.35 0.46 1.42 3.58 -1.08 -1.79 116.42 119.49 1ooq h ASP 103 Ca 0.03 -0.61 -0.04 0.00 0.42 0.00 0.00 57.03 56.82 1ooq h ASP 103 Cb 0.36 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1ooq h ASP 103 CO 0.02 0.90 -0.21 0.00 -2.88 0.00 0.00 179.24 177.07 1ooq h ALA 104 N 0.46 1.28 -0.01 -0.78 0.00 -0.99 -1.54 119.26 117.67 1ooq h ALA 104 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ooq h ALA 104 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ooq h ALA 104 CO 0.05 0.26 -0.08 -0.25 0.00 0.00 0.00 179.25 179.23 1ooq n ASP 105 N -3.74 0.98 -0.16 0.00 10.43 -0.62 -4.96 116.55 118.48 1ooq n ASP 105 Ca -0.01 -1.10 0.00 0.00 2.57 0.00 0.00 54.79 56.24 1ooq n ASP 105 Cb 0.32 0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.29 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 1.21 0.86 0.01 0.44 0.00 -0.58 -4.98 105.19 102.15 1ooq n GLY 106 Ca 0.17 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.73 0.02 -5.06 1.61 1.74 -0.69 -4.83 116.66 108.72 1ooq n ARG 107 Ca 0.00 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 1ooq n ARG 107 Cb 0.37 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.99 2.65 0.18 -1.55 0.40 -1.26 -5.01 117.98 110.40 1ooq s PHE 108 Ca 0.11 -0.88 0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1ooq s PHE 108 Cb 0.18 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 42.01 1ooq s PHE 108 CO 0.70 -0.33 1.43 0.00 0.70 0.00 0.00 175.22 177.72 1ooq h ALA 109 N 6.66 0.64 -2.81 5.36 0.00 -1.97 -3.47 119.26 123.66 1ooq h ALA 109 Ca -0.22 -0.74 -0.24 0.00 0.00 0.00 0.00 54.91 53.70 1ooq h ALA 109 Cb 1.23 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1ooq h ALA 109 CO 0.50 1.02 -0.72 0.95 0.00 0.00 0.00 179.25 181.00 1ooq s THR 110 N -3.12 0.55 -0.49 0.00 -4.23 -1.26 -5.03 115.64 102.06 1ooq s THR 110 Ca 0.00 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 1ooq s THR 110 Cb 0.11 -0.97 0.20 0.00 1.34 0.00 0.00 72.50 73.18 1ooq s THR 110 CO 0.79 -0.58 1.60 -2.65 -0.54 0.00 0.00 174.62 173.25 1ooq n PRO 111 N 0.92 0.14 -0.01 3.99 -0.02 -1.26 -2.75 135.00 136.02 1ooq n PRO 111 Ca -0.19 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 1ooq n PRO 111 Cb 0.57 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 1ooq n PRO 111 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ooq h GLU 112 N 0.00 0.74 0.00 -0.52 3.07 -1.99 -2.72 114.58 113.17 1ooq h GLU 112 Ca 0.00 -0.63 -0.14 0.00 -0.50 0.00 0.00 59.36 58.09 1ooq h GLU 112 Cb 0.20 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1ooq h GLU 112 CO 0.00 1.24 -0.67 0.00 -1.40 0.00 0.00 179.01 178.17 1ooq h ALA 113 N 0.58 0.85 -0.63 3.43 0.00 -1.94 -0.49 119.26 121.07 1ooq h ALA 113 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ooq h ALA 113 Cb 1.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1ooq h ALA 113 CO 0.16 0.84 0.40 -0.22 0.00 0.00 0.00 179.25 180.43 1ooq h LYS 114 N 0.00 0.85 -0.18 0.00 3.64 -1.58 -2.21 116.57 117.09 1ooq h LYS 114 Ca -0.01 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1ooq h LYS 114 Cb 1.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1ooq h LYS 114 CO 0.09 0.59 -0.47 0.00 -2.27 0.00 0.00 179.45 177.39 1ooq h ALA 115 N 1.21 0.86 0.00 5.00 0.00 -1.13 -2.11 119.26 123.09 1ooq h ALA 115 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ooq h ALA 115 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ooq h ALA 115 CO -0.05 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1ooq h ALA 116 N 1.13 1.00 0.13 0.00 0.00 -1.02 -1.23 119.26 119.28 1ooq h ALA 116 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1ooq h ALA 116 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ooq h ALA 116 CO 0.08 0.00 -1.92 -0.97 0.00 0.00 0.00 179.25 176.44 1ooq h ASN 117 N 0.00 0.44 -0.46 0.00 -0.73 -1.30 -2.34 115.58 111.19 1ooq h ASN 117 Ca 0.00 -0.90 -0.03 0.00 1.87 0.00 0.00 56.30 57.24 1ooq h ASN 117 Cb 0.83 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1ooq h ASN 117 CO 0.00 1.80 0.18 -0.78 -0.37 0.00 0.00 177.43 178.26 1ooq h ASP 118 N 0.08 0.67 -0.23 1.15 3.58 -1.37 -1.50 116.42 118.80 1ooq h ASP 118 Ca -0.40 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 56.87 1ooq h ASP 118 Cb 2.05 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.92 1ooq h ASP 118 CO 0.11 0.63 -0.24 0.50 -2.88 0.00 0.00 179.24 177.36 1ooq h LYS 119 N 0.73 0.57 0.00 0.28 3.64 -1.33 -2.01 116.57 118.46 1ooq h LYS 119 Ca 0.17 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1ooq h LYS 119 Cb 0.18 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1ooq h LYS 119 CO -0.01 0.90 -0.14 0.78 -2.27 0.00 0.00 179.45 178.70 1ooq h GLY 120 N 0.27 0.00 0.96 5.01 0.00 -1.27 -1.62 103.07 106.42 1ooq h GLY 120 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.08 1ooq h GLY 120 CO 0.06 0.00 -1.31 -0.09 0.00 0.00 0.00 176.54 175.20 1ooq h ARG 121 N 0.00 0.42 -0.14 4.80 2.43 -1.28 -3.32 114.38 117.29 1ooq h ARG 121 Ca -0.00 -0.71 -0.09 0.00 -0.81 0.00 0.00 59.98 58.36 1ooq h ARG 121 Cb 0.53 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1ooq h ARG 121 CO 0.02 1.34 -0.34 -0.22 -1.51 0.00 0.00 179.97 179.26 1ooq h LYS 122 N -0.07 0.27 -0.46 0.20 1.63 -1.14 -0.04 116.57 116.95 1ooq h LYS 122 Ca -0.24 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1ooq h LYS 122 Cb 1.95 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.55 1ooq h LYS 122 CO 0.20 0.58 0.29 0.35 -3.45 0.00 0.00 179.45 177.43 1ooq h PHE 123 N 0.24 0.60 -0.01 1.91 3.57 -1.44 0.18 116.94 121.99 1ooq h PHE 123 Ca 0.03 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.30 1ooq h PHE 123 Cb 0.71 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1ooq h PHE 123 CO 0.01 0.40 -0.96 0.74 -2.23 0.00 0.00 178.31 176.27 1ooq h PHE 124 N 0.62 0.77 -0.45 0.41 -1.00 -1.59 -2.58 116.94 113.12 1ooq h PHE 124 Ca 0.17 -0.41 -0.12 0.00 2.81 0.00 0.00 57.97 60.42 1ooq h PHE 124 Cb -0.04 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 1ooq h PHE 124 CO -0.04 1.23 -0.18 0.00 -1.61 0.00 0.00 178.31 177.72 1ooq h ALA 125 N 0.63 0.83 -0.04 2.45 0.00 -0.87 -3.10 119.26 119.17 1ooq h ALA 125 Ca -0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1ooq h ALA 125 Cb 1.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1ooq h ALA 125 CO 0.17 0.65 -0.77 -0.44 0.00 0.00 0.00 179.25 178.86 1ooq h ASP 126 N 0.78 0.35 -0.46 0.00 3.45 -0.69 -3.14 116.42 116.71 1ooq h ASP 126 Ca 0.11 -0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.37 1ooq h ASP 126 Cb 0.71 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.36 1ooq h ASP 126 CO 0.05 0.99 0.31 -0.03 -1.57 0.00 0.00 179.24 178.99 1ooq h MET 127 N 0.18 0.43 0.00 3.56 4.05 -1.41 -2.82 114.93 118.92 1ooq h MET 127 Ca -0.03 -0.03 -0.23 0.00 -0.28 0.00 0.00 59.70 59.13 1ooq h MET 127 Cb 1.36 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 1ooq h MET 127 CO 0.12 0.29 -1.27 0.45 0.23 0.00 0.00 176.91 176.73 1ooq h HIS 128 N 0.45 0.00 0.10 1.39 3.86 -1.49 -1.52 115.15 117.93 1ooq h HIS 128 Ca 0.19 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.06 1ooq h HIS 128 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1ooq h HIS 128 CO -0.00 0.90 -1.89 2.89 0.86 0.00 0.00 177.93 180.69 1ooq n ARG 129 N -3.17 0.72 -0.00 2.45 1.85 -1.20 -0.35 116.66 116.95 1ooq n ARG 129 Ca -0.07 0.32 -0.19 0.00 -1.00 0.00 0.00 57.85 56.91 1ooq n ARG 129 Cb 0.95 -1.71 -0.14 0.00 -1.05 0.00 0.00 32.46 30.51 1ooq n ARG 129 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ooq n LYS 130 N -3.67 0.73 -0.12 2.89 5.02 -1.07 -3.98 118.16 117.96 1ooq n LYS 130 Ca -0.33 0.26 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 1ooq n LYS 130 Cb 0.97 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 1ooq n LYS 130 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ooq n ASP 131 N -3.39 1.95 0.01 4.39 10.43 -1.18 -4.62 116.55 124.15 1ooq n ASP 131 Ca -0.29 0.34 0.11 0.00 2.57 0.00 0.00 54.79 57.52 1ooq n ASP 131 Cb 1.05 -0.80 0.09 0.00 1.84 0.00 0.00 41.12 43.31 1ooq n ASP 131 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1ooq n LEU 132 N -4.33 0.65 -2.89 0.64 4.77 -0.58 -4.98 117.00 110.28 1ooq n LEU 132 Ca -0.40 -0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.28 1ooq n LEU 132 Cb 0.75 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1ooq n LEU 132 CO 0.10 0.11 -0.08 1.41 -1.33 0.00 0.00 177.39 177.60 1ooq n HIS 133 N -1.69 -1.68 -1.91 -1.77 8.25 -0.97 -4.89 115.22 110.56 1ooq n HIS 133 Ca 0.04 0.34 0.05 0.00 -0.26 0.00 0.00 57.72 57.89 1ooq n HIS 133 Cb 0.37 -3.88 0.08 0.00 1.12 0.00 0.00 29.99 27.69 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 -2.29 1.16 -0.05 0.41 3.85 0.52 -4.89 116.55 115.27 1ooq n ASP 134 Ca -0.13 -2.65 0.00 0.00 -0.71 0.00 0.00 54.79 51.31 1ooq n ASP 134 Cb 0.62 -0.35 0.30 0.00 -1.35 0.00 0.00 41.12 40.33 1ooq n ASP 134 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1ooq h ASP 135 N 0.57 0.59 -0.49 -1.12 3.04 -1.78 0.36 116.42 117.59 1ooq h ASP 135 Ca -0.08 -0.07 -0.10 0.00 -3.24 0.00 0.00 57.03 53.54 1ooq h ASP 135 Cb 1.40 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 1ooq h ASP 135 CO 0.03 0.56 -0.07 0.00 -2.04 0.00 0.00 179.24 177.72 1ooq h ALA 136 N 1.53 0.67 0.00 4.15 0.00 -1.89 -2.33 119.26 121.40 1ooq h ALA 136 Ca 0.15 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1ooq h ALA 136 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ooq h ALA 136 CO -0.01 0.55 -1.04 1.05 0.00 0.00 0.00 179.25 179.79 1ooq h GLU 137 N 0.78 0.00 -0.47 0.00 9.09 -1.82 -1.61 114.58 120.54 1ooq h GLU 137 Ca 0.13 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.58 1ooq h GLU 137 Cb 0.62 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.68 1ooq h GLU 137 CO 0.04 0.85 0.25 2.35 0.05 0.00 0.00 179.01 182.55 1ooq h TRP 138 N 0.00 0.46 -0.13 2.06 7.01 -0.91 0.48 115.95 124.92 1ooq h TRP 138 Ca -0.05 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.80 1ooq h TRP 138 Cb 1.75 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.67 1ooq h TRP 138 CO 0.00 0.24 -0.62 0.52 -2.79 0.00 0.00 178.44 175.78 1ooq h MET 139 N 0.49 0.45 -0.25 2.65 2.86 -1.42 -2.91 114.93 116.80 1ooq h MET 139 Ca 0.20 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1ooq h MET 139 Cb 0.09 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1ooq h MET 139 CO -0.13 0.93 -0.11 0.00 1.06 0.00 0.00 176.91 178.66 1ooq h ALA 140 N 0.99 1.34 -0.64 6.32 0.00 -1.06 -2.25 119.26 123.96 1ooq h ALA 140 Ca -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ooq h ALA 140 Cb 1.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1ooq h ALA 140 CO 0.11 0.44 0.25 0.87 0.00 0.00 0.00 179.25 180.92 1ooq h LYS 141 N 0.39 0.94 -0.07 0.00 1.57 -0.75 -1.90 116.57 116.75 1ooq h LYS 141 Ca 0.08 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1ooq h LYS 141 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ooq h LYS 141 CO 0.02 0.78 -0.59 1.96 -0.57 0.00 0.00 179.45 181.06 1ooq h GLN 142 N 0.93 0.24 -0.14 3.15 1.08 -1.23 -1.60 115.11 117.53 1ooq h GLN 142 Ca 0.22 -0.16 -0.18 0.00 -1.45 0.00 0.00 58.65 57.08 1ooq h GLN 142 Cb 0.19 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ooq h GLN 142 CO -0.02 0.75 -0.65 0.28 -0.95 0.00 0.00 178.83 178.25 1ooq h VAL 143 N 0.18 1.34 -0.25 -0.54 2.07 -1.35 -2.22 116.25 115.48 1ooq h VAL 143 Ca -0.00 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.47 1ooq h VAL 143 Cb 1.08 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1ooq h VAL 143 CO 0.09 0.60 -0.25 1.88 0.02 0.00 0.00 177.57 179.91 1ooq h TYR 144 N 0.37 0.53 -0.95 1.57 -1.99 -1.12 -1.83 116.97 113.56 1ooq h TYR 144 Ca -0.01 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1ooq h TYR 144 Cb 1.21 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 39.76 1ooq h TYR 144 CO 0.05 0.69 0.60 1.25 -0.00 0.00 0.00 178.16 180.74 1ooq h LEU 145 N 0.42 1.12 -0.65 3.88 6.46 -1.14 -2.16 115.31 123.24 1ooq h LEU 145 Ca 0.06 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1ooq h LEU 145 Cb 0.66 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1ooq h LEU 145 CO 0.05 0.84 0.42 -1.13 -0.62 0.00 0.00 178.44 178.00 1ooq h ASN 146 N 1.30 0.72 -0.61 1.25 -0.73 -0.92 -2.01 115.58 114.58 1ooq h ASN 146 Ca 0.34 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1ooq h ASN 146 Cb -0.10 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.29 1ooq h ASN 146 CO -0.07 0.52 0.39 0.58 -0.37 0.00 0.00 177.43 178.48 1ooq h VAL 147 N 0.86 1.17 -0.40 2.57 2.07 -0.91 0.19 116.25 121.79 1ooq h VAL 147 Ca 0.25 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ooq h VAL 147 Cb -0.07 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1ooq h VAL 147 CO -0.07 0.16 0.26 1.23 0.02 0.00 0.00 177.57 179.17 1ooq h GLY 148 N 0.83 0.57 0.69 2.17 0.00 -1.24 -0.05 103.07 106.03 1ooq h GLY 148 Ca 0.22 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1ooq h GLY 148 CO -0.05 0.19 0.09 -0.57 0.00 0.00 0.00 176.54 176.20 1ooq h ASN 149 N 0.52 0.08 -0.42 0.19 -1.24 -0.97 -3.12 115.58 110.62 1ooq h ASN 149 Ca 0.15 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1ooq h ASN 149 Cb -0.03 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1ooq h ASN 149 CO -0.05 0.08 0.22 0.15 -1.29 0.00 0.00 177.43 176.54 1ooq h PHE 150 N 0.22 0.59 -0.65 0.67 3.57 -0.18 -1.73 116.94 119.42 1ooq h PHE 150 Ca 0.14 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1ooq h PHE 150 Cb 0.13 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1ooq h PHE 150 CO -0.15 0.46 0.20 -0.07 -2.23 0.00 0.00 178.31 176.52 1ooq h LEU 151 N 0.55 0.95 -0.46 0.59 3.38 -1.01 -0.01 115.31 119.28 1ooq h LEU 151 Ca 0.15 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1ooq h LEU 151 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ooq h LEU 151 CO -0.02 0.90 -0.55 0.25 0.09 0.00 0.00 178.44 179.11 1ooq h LEU 152 N 0.94 0.70 0.08 1.67 6.46 -1.52 -2.58 115.31 121.06 1ooq h LEU 152 Ca 0.21 -0.38 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1ooq h LEU 152 Cb 0.29 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1ooq h LEU 152 CO -0.01 1.11 -0.04 1.23 -0.62 0.00 0.00 178.44 180.12 1ooq h GLY 153 N 0.97 -0.11 1.95 3.75 0.00 -0.80 -1.77 103.07 107.06 1ooq h GLY 153 Ca 0.01 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1ooq h GLY 153 CO 0.11 -0.04 -0.40 -0.39 0.00 0.00 0.00 176.54 175.81 1ooq h VAL 154 N -0.14 1.30 -0.80 4.60 -1.51 -1.07 -2.05 116.25 116.57 1ooq h VAL 154 Ca -0.01 -1.42 -0.04 0.00 -1.23 0.00 0.00 66.70 64.00 1ooq h VAL 154 Cb 0.12 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 1ooq h VAL 154 CO 0.02 0.41 0.36 0.00 -1.23 0.00 0.00 177.57 177.13 1ooq h ALA 155 N 1.54 1.13 0.00 5.19 0.00 -1.35 -0.77 119.26 125.00 1ooq h ALA 155 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ooq h ALA 155 Cb 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ooq h ALA 155 CO 0.05 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1ooq h ALA 156 N 1.24 1.00 0.00 0.00 0.00 -0.88 -2.36 119.26 118.26 1ooq h ALA 156 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ooq h ALA 156 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ooq h ALA 156 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1ooq n LEU 157 N -2.76 0.00 0.00 0.00 4.77 -0.81 -4.91 117.00 113.29 1ooq n LEU 157 Ca 0.04 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ooq n LEU 157 Cb 0.47 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ooq n LEU 157 CO 0.32 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1ooq n GLY 158 N 1.10 0.81 3.75 -0.72 0.00 -0.89 -5.08 105.19 104.17 1ooq n GLY 158 Ca 0.11 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.73 0.10 0.99 1.43 -0.33 -5.02 118.68 119.59 1ooq s LEU 159 Ca 0.00 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 1ooq s LEU 159 Cb 0.00 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 1ooq s LEU 159 CO 0.00 0.20 0.45 -1.81 0.23 0.00 0.00 176.35 175.42 1ooq s ASP 160 N -2.18 6.72 0.04 2.29 1.01 0.52 -3.70 116.67 121.37 1ooq s ASP 160 Ca 0.27 0.90 -0.04 0.00 0.71 0.00 0.00 52.55 54.39 1ooq s ASP 160 Cb -0.12 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1ooq s ASP 160 CO 0.19 0.16 0.05 0.00 0.21 0.00 0.00 175.17 175.78 1ooq s ALA 161 N -1.39 0.12 -0.04 5.23 0.00 -1.26 -1.00 121.76 123.41 1ooq s ALA 161 Ca 0.34 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1ooq s ALA 161 Cb -0.14 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1ooq s ALA 161 CO 0.18 -0.34 0.03 0.54 0.00 0.00 0.00 175.76 176.17 1ooq s VAL 162 N -3.01 0.06 0.11 0.00 0.11 -1.08 -3.08 120.40 113.50 1ooq s VAL 162 Ca -0.02 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 1ooq s VAL 162 Cb 0.01 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.56 1ooq s VAL 162 CO -0.07 0.17 0.79 -2.16 -3.33 0.00 0.00 175.10 170.50 1ooq s PRO 163 N 1.63 4.55 -0.15 1.54 0.04 -1.26 -3.29 135.00 138.05 1ooq s PRO 163 Ca -0.02 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1ooq s PRO 163 Cb -0.13 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ooq s PRO 163 CO -0.03 0.41 -0.11 0.42 0.04 0.00 0.00 177.00 177.73 1ooq s ILE 164 N -0.55 1.37 -0.54 0.56 1.01 0.65 -4.93 121.20 118.77 1ooq s ILE 164 Ca 0.38 -0.60 0.23 0.00 0.00 0.00 0.00 60.65 60.66 1ooq s ILE 164 Cb -0.22 -1.38 -0.12 0.00 0.01 0.00 0.00 42.46 40.75 1ooq s ILE 164 CO 0.25 0.34 0.98 -0.62 0.00 0.00 0.00 174.94 175.90 1ooq n GLU 165 N 4.82 0.34 -1.59 2.79 1.02 -1.26 -1.85 120.64 124.91 1ooq n GLU 165 Ca -0.15 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.58 1ooq n GLU 165 Cb 0.49 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.34 4.29 3.31 0.62 0.00 -1.26 -4.83 105.19 108.67 1ooq n GLY 166 Ca 0.01 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 3.02 0.60 -0.45 1.61 -0.71 -1.26 -4.83 117.98 115.96 1ooq s PHE 167 Ca 0.53 -0.94 -0.19 0.00 -1.04 0.00 0.00 56.93 55.29 1ooq s PHE 167 Cb 0.15 -0.18 0.03 0.00 -1.21 0.00 0.00 43.02 41.81 1ooq s PHE 167 CO -0.07 -0.70 0.54 0.34 -1.34 0.00 0.00 175.22 173.98 1ooq s ASP 168 N -3.02 6.24 0.34 1.98 -1.08 0.91 -4.94 116.67 117.10 1ooq s ASP 168 Ca 0.23 -0.64 0.10 0.00 -0.52 0.00 0.00 52.55 51.71 1ooq s ASP 168 Cb 0.04 -2.27 0.61 0.00 -1.46 0.00 0.00 42.92 39.84 1ooq s ASP 168 CO 0.03 -0.71 1.78 0.00 0.52 0.00 0.00 175.17 176.79 1ooq h ALA 169 N 8.83 1.27 -0.10 3.66 0.00 -1.88 -2.24 119.26 128.81 1ooq h ALA 169 Ca -0.26 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1ooq h ALA 169 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ooq h ALA 169 CO 0.86 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 180.14 1ooq h ALA 170 N 1.52 0.99 -0.05 0.00 0.00 -1.93 -0.49 119.26 119.30 1ooq h ALA 170 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1ooq h ALA 170 Cb 0.70 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ooq h ALA 170 CO 0.05 0.65 -0.35 0.82 0.00 0.00 0.00 179.25 180.42 1ooq h ILE 171 N 0.21 1.44 -0.56 0.00 2.04 -1.88 -2.88 117.51 115.88 1ooq h ILE 171 Ca 0.01 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.09 1ooq h ILE 171 Cb 0.93 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1ooq h ILE 171 CO 0.08 0.51 0.36 0.25 0.00 0.00 0.00 178.15 179.35 1ooq h LEU 172 N -0.18 0.62 -0.93 1.44 7.12 -1.40 -1.04 115.31 120.94 1ooq h LEU 172 Ca -0.03 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.03 1ooq h LEU 172 Cb 1.02 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1ooq h LEU 172 CO 0.07 0.44 0.60 0.44 -0.13 0.00 0.00 178.44 179.86 1ooq h ASP 173 N 0.73 0.96 0.09 1.25 5.19 -1.17 -2.56 116.42 120.92 1ooq h ASP 173 Ca 0.21 0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.42 1ooq h ASP 173 Cb -0.06 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.26 1ooq h ASP 173 CO -0.06 0.62 -0.78 0.00 -3.12 0.00 0.00 179.24 175.90 1ooq h ALA 174 N 1.42 0.44 -0.54 3.45 0.00 -1.27 0.20 119.26 122.96 1ooq h ALA 174 Ca 0.40 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ooq h ALA 174 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ooq h ALA 174 CO -0.16 0.73 0.13 1.49 0.00 0.00 0.00 179.25 181.44 1ooq h GLU 175 N 0.38 0.83 -0.24 0.00 4.57 -0.88 -3.04 114.58 116.21 1ooq h GLU 175 Ca -0.05 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1ooq h GLU 175 Cb 1.39 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1ooq h GLU 175 CO 0.15 0.75 0.00 1.19 -1.18 0.00 0.00 179.01 179.91 1ooq n PHE 176 N -4.27 0.32 -2.46 0.92 3.72 -0.99 -5.00 117.46 109.70 1ooq n PHE 176 Ca 0.04 -0.34 -0.10 0.00 -0.05 0.00 0.00 57.45 57.01 1ooq n PHE 176 Cb 0.23 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.57 0.09 0.09 1.37 0.00 -0.67 -4.93 105.19 101.71 1ooq n GLY 177 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.42 0.00 -0.57 0.99 3.38 -0.92 -3.17 115.31 114.60 1ooq h LEU 178 Ca -0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ooq h LEU 178 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1ooq h LEU 178 CO 0.26 0.80 0.18 0.50 0.09 0.00 0.00 178.44 180.27 1ooq h LYS 179 N 0.00 0.88 0.00 1.13 3.64 -1.71 0.37 116.57 120.89 1ooq h LYS 179 Ca -0.01 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1ooq h LYS 179 Cb 1.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1ooq h LYS 179 CO 0.10 0.80 -0.26 0.93 -2.27 0.00 0.00 179.45 178.75 1ooq h GLU 180 N 0.80 0.00 0.00 1.90 3.07 -1.89 -2.91 114.58 115.55 1ooq h GLU 180 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1ooq h GLU 180 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ooq h GLU 180 CO -0.01 0.22 0.00 0.87 -1.40 0.00 0.00 179.01 178.69 1ooq h LYS 181 N 0.00 0.00 0.00 2.33 1.57 -1.48 -3.48 116.57 115.51 1ooq h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ooq h LYS 181 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ooq h LYS 181 CO 0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 1ooq n GLY 182 N 1.00 1.46 3.25 3.86 0.00 -0.26 -5.06 105.19 109.43 1ooq n GLY 182 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 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 1.28 -0.01 1.61 1.51 0.12 -2.09 117.35 117.76 1ooq s TYR 183 Ca 0.00 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1ooq s TYR 183 Cb 0.00 -0.65 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1ooq s TYR 183 CO 0.00 0.09 -0.04 0.99 -1.11 0.00 0.00 175.55 175.49 1ooq s THR 184 N -3.14 0.32 0.11 -0.71 2.01 0.23 -3.44 115.64 111.02 1ooq s THR 184 Ca 0.15 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1ooq s THR 184 Cb 0.01 -0.28 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1ooq s THR 184 CO 0.01 0.10 0.98 -0.44 -0.69 0.00 0.00 174.62 174.58 1ooq s SER 185 N 0.03 7.46 0.05 3.53 0.01 -1.26 -0.95 113.70 122.56 1ooq s SER 185 Ca 0.00 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1ooq s SER 185 Cb -0.03 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ooq s SER 185 CO -0.00 -0.10 0.00 0.18 0.41 0.00 0.00 173.24 173.73 1ooq n LEU 186 N 2.79 0.37 -3.98 2.44 4.77 -0.51 -4.83 117.00 118.04 1ooq n LEU 186 Ca 0.03 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1ooq n LEU 186 Cb 0.49 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1ooq n LEU 186 CO 0.52 -0.34 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.12 1ooq s VAL 187 N -2.00 0.64 -0.18 4.08 1.01 -1.15 -4.76 120.40 118.04 1ooq s VAL 187 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1ooq s VAL 187 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1ooq s VAL 187 CO 0.00 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.58 1ooq s VAL 188 N 0.08 3.76 -0.36 2.92 1.01 -0.77 0.10 120.40 127.14 1ooq s VAL 188 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ooq s VAL 188 Cb -0.06 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.75 1ooq s VAL 188 CO -0.00 0.46 0.11 -0.69 0.00 0.00 0.00 175.10 174.97 1ooq s VAL 189 N 0.82 1.73 0.12 2.92 1.01 0.75 -0.25 120.40 127.50 1ooq s VAL 189 Ca -0.01 -2.14 -0.31 0.00 0.00 0.00 0.00 61.98 59.52 1ooq s VAL 189 Cb -0.14 -2.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 1ooq s VAL 189 CO 0.02 -0.68 1.50 -2.84 0.00 0.00 0.00 175.10 173.10 1ooq s PRO 190 N 0.97 4.26 -0.07 2.72 0.02 -1.21 -1.73 135.00 139.96 1ooq s PRO 190 Ca 0.12 2.22 0.04 0.00 0.02 0.00 0.00 61.00 63.40 1ooq s PRO 190 Cb -0.20 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 1ooq s PRO 190 CO -0.12 -0.56 -0.21 0.08 -0.33 0.00 0.00 177.00 175.86 1ooq s VAL 191 N 1.42 2.41 -0.08 3.83 1.01 0.18 -2.63 120.40 126.54 1ooq s VAL 191 Ca 0.68 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1ooq s VAL 191 Cb -0.40 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1ooq s VAL 191 CO 0.31 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.58 1ooq n GLY 192 N 3.00 -0.98 3.22 4.51 0.00 -0.17 -1.95 105.19 112.81 1ooq n GLY 192 Ca -0.18 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.00 1.66 0.48 1.61 3.76 -1.26 -0.36 115.29 117.18 1ooq s HIS 193 Ca 0.00 -0.37 -0.21 0.00 -0.15 0.00 0.00 55.06 54.33 1ooq s HIS 193 Cb 0.00 -0.99 -0.08 0.00 1.11 0.00 0.00 32.58 32.62 1ooq s HIS 193 CO 0.00 0.08 1.07 -3.38 -0.85 0.00 0.00 174.74 171.66 1ooq s HIS 194 N -0.82 2.97 0.78 1.40 -3.43 -1.26 -1.51 115.29 113.42 1ooq s HIS 194 Ca 0.06 1.58 -0.11 0.00 -0.80 0.00 0.00 55.06 55.78 1ooq s HIS 194 Cb -0.09 -3.16 0.06 0.00 -1.43 0.00 0.00 32.58 27.97 1ooq s HIS 194 CO 0.02 -1.01 1.09 -1.54 -2.00 0.00 0.00 174.74 171.30 1ooq s SER 195 N -1.79 4.65 0.00 7.38 1.04 -1.01 -4.38 113.70 119.59 1ooq s SER 195 Ca 0.66 1.30 0.09 0.00 0.48 0.00 0.00 55.95 58.49 1ooq s SER 195 Cb -0.20 -2.05 0.54 0.00 0.10 0.00 0.00 66.02 64.41 1ooq s SER 195 CO 0.24 -1.87 1.14 1.33 0.98 0.00 0.00 173.24 175.06 1ooq n VAL 196 N -3.37 0.00 -0.96 5.02 0.24 -1.26 -2.73 118.33 115.27 1ooq n VAL 196 Ca 0.07 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.46 1ooq n VAL 196 Cb 0.56 -0.32 0.16 0.00 -1.47 0.00 0.00 33.84 32.77 1ooq n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1ooq n GLU 197 N -0.69 1.83 -2.84 7.34 0.28 -1.26 -5.03 120.64 120.27 1ooq n GLU 197 Ca 0.07 -2.56 -0.42 0.00 -0.16 0.00 0.00 57.16 54.09 1ooq n GLU 197 Cb 0.03 -1.55 -0.04 0.00 1.43 0.00 0.00 31.44 31.32 1ooq n GLU 197 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ooq s ASP 198 N -2.48 6.96 0.17 -1.84 3.68 -1.10 -4.95 116.67 117.10 1ooq s ASP 198 Ca 0.32 1.19 0.19 0.00 2.13 0.00 0.00 52.55 56.38 1ooq s ASP 198 Cb 0.27 -2.47 -0.03 0.00 -1.45 0.00 0.00 42.92 39.25 1ooq s ASP 198 CO 0.04 -0.48 1.03 0.15 0.13 0.00 0.00 175.17 176.05 1ooq h PHE 199 N 7.44 0.00 0.00 -5.34 3.57 -1.95 -3.35 116.94 117.31 1ooq h PHE 199 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1ooq h PHE 199 Cb 1.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ooq h PHE 199 CO 0.73 0.29 0.00 -0.97 -2.23 0.00 0.00 178.31 176.13 1ooq h ASN 200 N 0.00 0.00 0.64 0.41 -1.24 -1.92 -3.29 115.58 110.18 1ooq h ASN 200 Ca -0.07 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.79 1ooq h ASN 200 Cb 1.28 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.31 1ooq h ASN 200 CO 0.03 0.00 -0.72 0.00 -1.29 0.00 0.00 177.43 175.44 1ooq h ALA 201 N 2.03 0.78 -0.02 1.57 0.00 -1.89 -3.07 119.26 118.66 1ooq h ALA 201 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ooq h ALA 201 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ooq h ALA 201 CO 0.00 0.87 -0.39 0.25 0.00 0.00 0.00 179.25 179.98 1ooq n THR 202 N -3.71 0.00 -3.01 0.00 -2.24 -1.25 -4.96 114.28 99.10 1ooq n THR 202 Ca -0.02 -0.31 -0.39 0.00 -2.27 0.00 0.00 64.05 61.07 1ooq n THR 202 Cb 0.70 1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 70.17 1ooq n THR 202 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ooq s LEU 203 N -2.39 4.54 0.66 3.22 2.96 -1.16 -5.05 118.68 121.46 1ooq s LEU 203 Ca 0.20 1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 1ooq s LEU 203 Cb 0.18 -3.23 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 1ooq s LEU 203 CO 0.52 0.15 1.24 -2.84 -1.32 0.00 0.00 176.35 174.11 1ooq s PRO 204 N -0.79 2.54 0.37 0.98 0.02 -1.26 -4.99 135.00 131.87 1ooq s PRO 204 Ca 0.36 1.90 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 1ooq s PRO 204 Cb -0.22 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1ooq s PRO 204 CO 0.24 -1.56 1.02 0.21 -0.33 0.00 0.00 177.00 176.59 1ooq s LYS 205 N -3.53 4.34 -0.10 5.54 2.20 -1.26 -5.07 119.74 121.85 1ooq s LYS 205 Ca 0.79 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.88 1ooq s LYS 205 Cb -0.33 -2.67 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1ooq s LYS 205 CO 0.39 0.02 -0.12 0.45 -0.36 0.00 0.00 175.35 175.73 1ooq s SER 206 N -1.53 2.20 0.07 1.43 0.15 -1.26 -5.12 113.70 109.64 1ooq s SER 206 Ca 0.54 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1ooq s SER 206 Cb -0.22 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 1ooq s SER 206 CO 0.27 -0.03 -0.07 -0.13 1.20 0.00 0.00 173.24 174.49 1ooq s ARG 207 N 1.18 0.68 0.54 5.44 1.81 -1.26 -5.16 118.95 122.18 1ooq s ARG 207 Ca -0.04 -1.07 -0.21 0.00 -1.72 0.00 0.00 55.73 52.69 1ooq s ARG 207 Cb -0.14 -0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.10 1ooq s ARG 207 CO -0.03 0.00 1.29 -0.51 -0.68 0.00 0.00 175.30 175.37 1ooq s LEU 208 N -2.39 3.84 0.67 2.53 1.43 -1.26 -4.99 118.68 118.50 1ooq s LEU 208 Ca 0.02 2.60 -0.14 0.00 -1.03 0.00 0.00 54.13 55.58 1ooq s LEU 208 Cb -0.01 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.88 1ooq s LEU 208 CO -0.03 -1.46 1.10 -2.16 0.23 0.00 0.00 176.35 174.03 1ooq s PRO 209 N -2.95 2.79 0.59 1.29 0.04 -1.26 -4.90 135.00 130.60 1ooq s PRO 209 Ca 0.71 1.33 0.35 0.00 0.04 0.00 0.00 61.00 63.43 1ooq s PRO 209 Cb -0.36 -1.95 1.82 0.00 0.04 0.00 0.00 34.50 34.05 1ooq s PRO 209 CO 0.42 -1.25 2.19 1.96 0.04 0.00 0.00 177.00 180.36 1ooq h GLN 210 N -0.10 0.00 0.00 4.56 4.20 -1.94 -1.99 115.11 119.83 1ooq h GLN 210 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1ooq h GLN 210 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1ooq h GLN 210 CO 0.54 0.04 0.00 -2.95 -0.67 0.00 0.00 178.83 175.79 1ooq h ASN 211 N 0.00 0.00 0.04 1.46 7.08 -1.92 0.10 115.58 122.35 1ooq h ASN 211 Ca -0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 1ooq h ASN 211 Cb 0.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.43 1ooq h ASN 211 CO 0.01 0.00 -1.03 0.40 -2.08 0.00 0.00 177.43 174.72 1ooq h ILE 212 N 0.00 1.15 0.00 6.14 1.08 -1.74 -3.43 117.51 120.72 1ooq h ILE 212 Ca 0.00 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.17 1ooq h ILE 212 Cb 0.46 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1ooq h ILE 212 CO 0.00 0.52 -1.19 0.35 -0.69 0.00 0.00 178.15 177.15 1ooq n THR 213 N -4.29 0.07 -4.09 -0.27 -2.24 -1.09 -4.92 114.28 97.46 1ooq n THR 213 Ca -0.25 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1ooq n THR 213 Cb 0.71 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 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 -3.70 1.21 -0.16 3.22 0.20 0.33 -5.06 118.68 114.72 1ooq s LEU 214 Ca 0.03 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.59 1ooq s LEU 214 Cb 0.15 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 45.21 1ooq s LEU 214 CO 0.84 -0.08 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.91 1ooq s THR 215 N 1.34 4.06 -0.21 3.68 2.01 -1.26 -4.62 115.64 120.64 1ooq s THR 215 Ca -0.03 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 1ooq s THR 215 Cb -0.14 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1ooq s THR 215 CO -0.03 0.48 0.12 -1.61 -0.69 0.00 0.00 174.62 172.90 1ooq s GLU 216 N 0.40 4.11 0.00 4.92 2.02 -1.26 -5.24 118.70 123.65 1ooq s GLU 216 Ca -0.02 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1ooq s GLU 216 Cb -0.14 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1ooq s GLU 216 CO 0.02 0.23 0.18 1.33 0.02 0.00 0.00 175.26 177.04