#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oma n SER 3 N 0.00 -0.36 -4.74 0.00 2.88 -1.26 -4.88 113.62 105.26 2oma n SER 3 Ca 0.00 0.89 -0.41 0.00 -1.33 0.00 0.00 58.87 58.01 2oma n SER 3 Cb 0.00 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.23 2oma n SER 3 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2oma s LYS 4 N -1.87 4.38 0.55 -1.46 1.02 -1.26 -4.95 119.74 116.15 2oma s LYS 4 Ca 0.65 2.06 -0.09 0.00 0.02 0.00 0.00 55.97 58.61 2oma s LYS 4 Cb -0.54 -3.20 0.13 0.00 -0.52 0.00 0.00 37.83 33.70 2oma s LYS 4 CO 0.56 -0.27 0.61 -0.35 -0.92 0.00 0.00 175.35 174.98 2oma n PRO 5 N 2.74 -1.36 -1.90 -1.68 -0.04 -1.26 -4.89 135.00 126.62 2oma n PRO 5 Ca 0.07 -0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 62.15 2oma n PRO 5 Cb 0.43 -0.75 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 2oma n PRO 5 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2oma s GLN 6 N -4.35 4.20 0.76 0.54 0.74 -1.26 -4.94 119.66 115.34 2oma s GLN 6 Ca 0.37 2.39 -0.11 0.00 0.05 0.00 0.00 55.36 58.06 2oma s GLN 6 Cb -0.02 -3.34 0.05 0.00 1.10 0.00 0.00 33.01 30.79 2oma s GLN 6 CO 0.27 -0.68 1.09 -1.25 -0.55 0.00 0.00 175.29 174.16 2oma s PRO 7 N 1.81 2.37 -0.08 1.67 0.04 -1.26 -4.87 135.00 134.68 2oma s PRO 7 Ca 0.73 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2oma s PRO 7 Cb -0.43 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2oma s PRO 7 CO 0.32 -1.56 -0.21 0.42 0.04 0.00 0.00 177.00 176.02 2oma s ILE 8 N -2.92 1.77 -0.39 0.56 1.01 -0.61 -1.21 121.20 119.42 2oma s ILE 8 Ca 0.61 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2oma s ILE 8 Cb -0.17 -1.53 0.09 0.00 0.01 0.00 0.00 42.46 40.85 2oma s ILE 8 CO 0.56 0.50 0.19 0.00 0.00 0.00 0.00 174.94 176.19 2oma s ALA 9 N 0.26 3.15 -0.14 9.38 0.00 -0.38 -1.80 121.76 132.23 2oma s ALA 9 Ca -0.13 -2.23 -0.06 0.00 0.00 0.00 0.00 51.96 49.55 2oma s ALA 9 Cb -0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2oma s ALA 9 CO 0.06 -1.64 0.05 0.00 0.00 0.00 0.00 175.76 174.23 2oma s ALA 10 N 1.29 3.44 -0.22 0.00 0.00 0.97 -1.14 121.76 126.09 2oma s ALA 10 Ca 0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2oma s ALA 10 Cb -0.22 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 2oma s ALA 10 CO -0.01 0.37 0.14 0.00 0.00 0.00 0.00 175.76 176.26 2oma s ALA 11 N -0.23 3.61 -0.50 0.00 0.00 0.26 -0.70 121.76 124.20 2oma s ALA 11 Ca 0.08 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2oma s ALA 11 Cb -0.12 -2.22 0.09 0.00 0.00 0.00 0.00 23.12 20.87 2oma s ALA 11 CO 0.01 -0.04 0.46 1.21 0.00 0.00 0.00 175.76 177.41 2oma s ASN 12 N 0.75 6.17 -0.03 0.00 3.84 -0.11 -0.73 114.94 124.84 2oma s ASN 12 Ca 0.07 -1.47 0.01 0.00 0.21 0.00 0.00 52.86 51.68 2oma s ASN 12 Cb -0.13 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 38.43 2oma s ASN 12 CO 0.02 -0.76 0.82 0.79 -2.79 0.00 0.00 177.10 175.18 2oma n TRP 13 N 5.33 0.19 0.00 0.43 8.01 -0.73 -4.62 117.44 126.06 2oma n TRP 13 Ca -0.12 -0.32 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 2oma n TRP 13 Cb 0.42 -0.21 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 2oma n TRP 13 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2oma n LYS 14 N 0.21 0.00 -3.05 -0.99 5.02 -1.26 -2.51 118.16 115.58 2oma n LYS 14 Ca 0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 2oma n LYS 14 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 2oma n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oma n ASN 16 N 0.02 1.73 -0.45 0.00 4.13 -1.05 -5.11 115.26 114.53 2oma n ASN 16 Ca 0.29 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.56 2oma n ASN 16 Cb 0.46 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.70 2oma n ASN 16 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2oma n GLY 17 N 4.81 -3.10 3.44 7.41 0.00 -1.26 -4.82 105.19 111.67 2oma n GLY 17 Ca 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 2oma n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oma s SER 18 N -3.97 -0.38 0.20 1.61 1.04 -1.26 -4.96 113.70 105.98 2oma s SER 18 Ca 0.00 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 2oma s SER 18 Cb 0.00 0.56 0.16 0.00 0.10 0.00 0.00 66.02 66.85 2oma s SER 18 CO 0.00 -0.98 1.59 -0.33 0.98 0.00 0.00 173.24 174.50 2oma h GLU 19 N 2.15 -0.12 -0.80 4.02 5.08 -1.98 0.44 114.58 123.37 2oma h GLU 19 Ca -0.32 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2oma h GLU 19 Cb 1.28 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 2oma h GLU 19 CO 0.40 -0.08 -0.32 0.43 -1.00 0.00 0.00 179.01 178.43 2oma n SER 20 N -5.45 -0.54 -0.02 1.42 7.64 -1.26 -1.63 113.62 113.78 2oma n SER 20 Ca 0.06 1.41 -0.12 0.00 1.01 0.00 0.00 58.87 61.22 2oma n SER 20 Cb 0.36 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.15 2oma n SER 20 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2oma h LEU 21 N 0.00 -0.05 -0.96 -3.43 6.46 -1.60 -3.40 115.31 112.32 2oma h LEU 21 Ca 0.27 -0.62 -0.10 0.00 -0.12 0.00 0.00 57.88 57.31 2oma h LEU 21 Cb 0.47 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2oma h LEU 21 CO -0.80 0.65 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.28 2oma h LEU 22 N -0.79 0.36 0.32 2.25 3.38 -0.53 -3.10 115.31 117.20 2oma h LEU 22 Ca -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2oma h LEU 22 Cb 0.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2oma h LEU 22 CO 0.01 0.67 -0.30 0.58 0.09 0.00 0.00 178.44 179.49 2oma h VAL 23 N 0.31 0.37 -0.87 1.22 2.07 -1.52 0.56 116.25 118.38 2oma h VAL 23 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2oma h VAL 23 Cb 0.72 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2oma h VAL 23 CO 0.06 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 177.51 2oma h PRO 24 N -0.64 1.20 0.11 1.57 0.11 -1.78 -1.12 132.00 131.44 2oma h PRO 24 Ca -0.02 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2oma h PRO 24 Cb 0.58 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2oma h PRO 24 CO -0.05 0.85 -0.05 1.25 -0.21 0.00 0.00 178.00 179.79 2oma h LEU 25 N 1.21 -0.12 -0.42 2.35 5.85 -1.44 -1.11 115.31 121.62 2oma h LEU 25 Ca 0.31 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.07 2oma h LEU 25 Cb -0.03 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2oma h LEU 25 CO -0.06 -0.04 -0.13 0.40 -0.34 0.00 0.00 178.44 178.28 2oma h ILE 26 N -0.20 0.52 -0.72 4.05 2.04 0.30 -2.47 117.51 121.04 2oma h ILE 26 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2oma h ILE 26 Cb 0.16 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 36.66 2oma h ILE 26 CO 0.02 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 178.03 2oma h GLU 27 N -0.04 0.28 -0.19 2.37 5.08 -1.01 0.11 114.58 121.17 2oma h GLU 27 Ca 0.20 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2oma h GLU 27 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2oma h GLU 27 CO -0.45 0.18 0.05 1.15 -1.00 0.00 0.00 179.01 178.94 2oma h THR 28 N 0.29 0.93 -0.54 1.13 2.02 -0.96 -0.51 112.91 115.26 2oma h THR 28 Ca 0.40 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.45 2oma h THR 28 Cb 0.66 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2oma h THR 28 CO -0.48 0.02 -0.01 -0.07 0.37 0.00 0.00 175.52 175.35 2oma h LEU 29 N 0.13 0.90 -1.35 2.58 3.38 -1.02 -2.39 115.31 117.55 2oma h LEU 29 Ca 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2oma h LEU 29 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2oma h LEU 29 CO -0.11 0.97 -0.14 0.78 0.09 0.00 0.00 178.44 180.04 2oma h ASN 30 N 0.85 0.26 1.49 -0.43 -0.26 -0.59 -2.79 115.58 114.11 2oma h ASN 30 Ca 0.16 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2oma h ASN 30 Cb 0.52 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2oma h ASN 30 CO 0.03 0.42 -0.09 0.00 -1.06 0.00 0.00 177.43 176.72 2oma h ALA 31 N 1.61 0.94 -2.73 -0.83 0.00 -0.72 -3.43 119.26 114.11 2oma h ALA 31 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.44 2oma h ALA 31 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2oma h ALA 31 CO 0.02 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.49 2oma s ALA 32 N -3.13 3.43 -0.10 0.00 0.00 -0.93 -5.07 121.76 115.95 2oma s ALA 32 Ca 0.09 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2oma s ALA 32 Cb 0.11 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2oma s ALA 32 CO 0.63 0.28 -0.13 0.99 0.00 0.00 0.00 175.76 177.53 2oma s THR 33 N -1.15 3.10 -0.23 0.00 2.01 -1.26 -4.97 115.64 113.15 2oma s THR 33 Ca 0.37 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2oma s THR 33 Cb -0.24 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2oma s THR 33 CO 0.27 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.27 2oma s PHE 34 N -0.04 3.00 -1.06 4.92 0.08 -1.26 -4.99 117.98 118.64 2oma s PHE 34 Ca -0.03 -1.69 0.28 0.00 0.12 0.00 0.00 56.93 55.61 2oma s PHE 34 Cb -0.14 -1.99 1.11 0.00 -0.57 0.00 0.00 43.02 41.43 2oma s PHE 34 CO 0.04 -0.77 1.83 -0.25 -0.10 0.00 0.00 175.22 175.96 2oma n ASP 35 N 4.61 0.12 -4.87 1.36 8.00 -1.26 -4.88 116.55 119.64 2oma n ASP 35 Ca -0.18 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.37 2oma n ASP 35 Cb 0.47 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2oma n ASP 35 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2oma s HIS 36 N -2.95 3.09 -0.50 1.24 -3.43 -1.26 -5.04 115.29 106.44 2oma s HIS 36 Ca 0.15 -0.17 -0.27 0.00 -0.80 0.00 0.00 55.06 53.96 2oma s HIS 36 Cb 0.19 -1.61 -0.02 0.00 -1.43 0.00 0.00 32.58 29.72 2oma s HIS 36 CO 0.56 0.35 1.80 0.34 -2.00 0.00 0.00 174.74 175.79 2oma s ASP 37 N -3.94 5.58 -0.07 7.38 2.15 -1.26 -4.95 116.67 121.55 2oma s ASP 37 Ca 0.37 0.70 -0.06 0.00 0.43 0.00 0.00 52.55 54.00 2oma s ASP 37 Cb -0.07 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2oma s ASP 37 CO 0.27 -2.06 0.18 0.54 -0.17 0.00 0.00 175.17 173.92 2oma s VAL 38 N 8.00 -0.01 -0.41 1.11 0.11 -1.26 -4.20 120.40 123.74 2oma s VAL 38 Ca 0.71 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.64 2oma s VAL 38 Cb -0.16 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2oma s VAL 38 CO 0.26 0.02 0.40 -1.58 -3.33 0.00 0.00 175.10 170.87 2oma s GLN 39 N 0.42 3.12 0.17 1.54 2.00 -0.35 -4.82 119.66 121.75 2oma s GLN 39 Ca -0.03 -0.78 -0.18 0.00 -2.00 0.00 0.00 55.36 52.37 2oma s GLN 39 Cb -0.04 -3.95 -0.08 0.00 0.80 0.00 0.00 33.01 29.74 2oma s GLN 39 CO -0.02 -0.80 0.65 0.00 -0.50 0.00 0.00 175.29 174.62 2oma s VAL 41 N -1.42 0.20 -0.14 0.00 1.01 -0.29 -1.23 120.40 118.52 2oma s VAL 41 Ca 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 2oma s VAL 41 Cb -0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2oma s VAL 41 CO 0.20 0.17 -0.09 0.68 0.00 0.00 0.00 175.10 176.07 2oma s VAL 42 N 1.30 3.43 -0.71 2.92 -7.23 0.17 0.90 120.40 121.18 2oma s VAL 42 Ca -0.06 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.53 2oma s VAL 42 Cb -0.13 -2.47 0.18 0.00 0.56 0.00 0.00 36.38 34.52 2oma s VAL 42 CO -0.02 0.51 0.56 0.00 -0.31 0.00 0.00 175.10 175.84 2oma s ALA 43 N 0.33 3.79 0.64 1.32 0.00 0.10 0.49 121.76 128.43 2oma s ALA 43 Ca -0.08 -3.36 -0.11 0.00 0.00 0.00 0.00 51.96 48.42 2oma s ALA 43 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2oma s ALA 43 CO 0.04 -2.16 1.04 -2.14 0.00 0.00 0.00 175.76 172.54 2oma s PRO 44 N -0.18 3.29 0.77 0.00 0.02 -1.24 -1.77 135.00 135.89 2oma s PRO 44 Ca 0.19 0.58 -0.15 0.00 0.02 0.00 0.00 61.00 61.64 2oma s PRO 44 Cb -0.16 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.28 2oma s PRO 44 CO -0.06 -0.73 0.76 0.25 -0.33 0.00 0.00 177.00 176.89 2oma n THR 45 N -2.82 1.86 -0.30 0.99 -2.24 -1.26 -4.40 114.28 106.12 2oma n THR 45 Ca 0.06 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 2oma n THR 45 Cb 0.55 -0.91 0.30 0.00 -2.10 0.00 0.00 70.33 68.17 2oma n THR 45 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2oma h PHE 46 N -0.60 0.34 -0.03 4.78 0.04 -1.95 -1.64 116.94 117.88 2oma h PHE 46 Ca -0.46 0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.31 2oma h PHE 46 Cb 1.33 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 2oma h PHE 46 CO 0.39 -0.23 -0.21 1.25 -0.60 0.00 0.00 178.31 178.90 2oma h LEU 47 N 0.19 0.05 -1.64 1.54 6.46 -2.02 -3.08 115.31 116.81 2oma h LEU 47 Ca 0.57 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 2oma h LEU 47 Cb 1.16 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2oma h LEU 47 CO -0.68 0.27 -0.05 1.41 -0.62 0.00 0.00 178.44 178.77 2oma n HIS 48 N -4.26 0.00 -0.13 1.25 8.25 -0.64 -4.36 115.22 115.32 2oma n HIS 48 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 2oma n HIS 48 Cb 0.29 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 2oma n HIS 48 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2oma h ILE 49 N 3.99 1.27 -0.36 1.59 2.04 -1.41 -2.29 117.51 122.35 2oma h ILE 49 Ca 0.00 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.84 2oma h ILE 49 Cb 0.88 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2oma h ILE 49 CO 0.00 0.36 -0.04 -0.65 0.00 0.00 0.00 178.15 177.83 2oma h PRO 50 N 0.53 0.05 0.00 2.37 0.11 -1.79 -0.10 132.00 133.17 2oma h PRO 50 Ca 0.10 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 2oma h PRO 50 Cb 0.54 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2oma h PRO 50 CO 0.03 0.04 -0.42 0.00 -0.21 0.00 0.00 178.00 177.43 2oma h MET 51 N 0.06 0.00 -0.10 1.05 -0.00 -1.84 -2.55 114.93 111.54 2oma h MET 51 Ca 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.82 2oma h MET 51 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2oma h MET 51 CO -0.32 0.42 -0.16 1.15 -0.00 0.00 0.00 176.91 178.01 2oma h THR 52 N 0.00 1.38 -0.85 -0.10 2.02 -1.05 -2.18 112.91 112.12 2oma h THR 52 Ca -0.00 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 2oma h THR 52 Cb 0.80 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 2oma h THR 52 CO 0.06 0.40 0.40 0.50 0.37 0.00 0.00 175.52 177.25 2oma h LYS 53 N -0.14 1.23 0.00 6.66 3.64 -1.01 0.20 116.57 127.15 2oma h LYS 53 Ca 0.01 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2oma h LYS 53 Cb 0.72 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2oma h LYS 53 CO 0.04 0.95 -0.27 0.00 -2.27 0.00 0.00 179.45 177.90 2oma h ALA 54 N 1.22 1.23 0.00 5.00 0.00 -1.47 -3.36 119.26 121.87 2oma h ALA 54 Ca 0.29 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2oma h ALA 54 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2oma h ALA 54 CO -0.04 0.33 -1.65 0.54 0.00 0.00 0.00 179.25 178.44 2oma n ARG 55 N -3.74 1.89 -2.31 0.00 1.74 -0.82 -5.00 116.66 108.42 2oma n ARG 55 Ca -0.01 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2oma n ARG 55 Cb 0.37 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 2oma n ARG 55 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2oma s LEU 56 N -4.96 4.31 0.00 0.55 2.96 0.70 -4.91 118.68 117.33 2oma s LEU 56 Ca -0.08 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 2oma s LEU 56 Cb 0.03 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2oma s LEU 56 CO 0.35 -0.65 0.00 0.35 -1.32 0.00 0.00 176.35 175.08 2oma n THR 57 N 4.55 0.00 -1.71 3.68 -2.24 -1.26 -4.94 114.28 112.37 2oma n THR 57 Ca 0.12 0.00 -0.58 0.00 -2.27 0.00 0.00 64.05 61.32 2oma n THR 57 Cb 0.45 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 2oma n THR 57 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2oma n ASN 58 N -1.22 2.31 0.13 3.42 2.85 -1.26 -4.80 115.26 116.69 2oma n ASN 58 Ca 0.00 1.07 0.12 0.00 -0.11 0.00 0.00 54.58 55.66 2oma n ASN 58 Cb 0.05 -1.12 0.49 0.00 1.24 0.00 0.00 39.78 40.44 2oma n ASN 58 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2oma n PRO 59 N 5.39 0.19 0.00 1.20 -0.04 -1.26 -1.68 135.00 138.81 2oma n PRO 59 Ca 0.27 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.31 2oma n PRO 59 Cb 0.12 -1.87 0.70 0.00 -0.04 0.00 0.00 33.50 32.40 2oma n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2oma n LYS 60 N -2.23 0.23 -3.78 0.54 4.76 -1.26 -4.93 118.16 111.49 2oma n LYS 60 Ca 0.02 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 2oma n LYS 60 Cb 0.22 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 2oma n LYS 60 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2oma s PHE 61 N -2.77 3.62 0.17 2.13 0.40 -0.67 -1.29 117.98 119.57 2oma s PHE 61 Ca 0.22 0.63 0.11 0.00 -0.60 0.00 0.00 56.93 57.28 2oma s PHE 61 Cb 0.20 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2oma s PHE 61 CO 0.49 0.69 -0.24 -0.65 0.70 0.00 0.00 175.22 176.22 2oma s GLN 62 N -1.21 1.43 -0.20 0.44 -1.52 -0.36 -4.99 119.66 113.26 2oma s GLN 62 Ca 0.20 -1.45 -0.09 0.00 -1.95 0.00 0.00 55.36 52.07 2oma s GLN 62 Cb -0.13 -1.77 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 2oma s GLN 62 CO 0.09 0.39 0.12 0.42 -0.25 0.00 0.00 175.29 176.06 2oma s ILE 63 N -1.53 5.27 0.27 1.08 1.01 -1.26 -0.66 121.20 125.38 2oma s ILE 63 Ca 0.18 0.14 0.08 0.00 0.00 0.00 0.00 60.65 61.04 2oma s ILE 63 Cb -0.08 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2oma s ILE 63 CO 0.08 0.44 0.14 0.00 0.00 0.00 0.00 174.94 175.60 2oma s ALA 64 N 0.40 3.48 0.17 9.38 0.00 0.18 -3.83 121.76 131.55 2oma s ALA 64 Ca 0.07 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 2oma s ALA 64 Cb -0.11 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 2oma s ALA 64 CO -0.01 0.21 0.40 0.00 0.00 0.00 0.00 175.76 176.36 2oma s ALA 65 N -2.24 3.77 -0.89 0.00 0.00 -0.39 -3.70 121.76 118.31 2oma s ALA 65 Ca 0.34 -0.61 0.26 0.00 0.00 0.00 0.00 51.96 51.95 2oma s ALA 65 Cb -0.07 -2.13 0.77 0.00 0.00 0.00 0.00 23.12 21.69 2oma s ALA 65 CO 0.23 0.57 1.63 1.04 0.00 0.00 0.00 175.76 179.23 2oma n GLN 66 N -0.19 0.10 -3.79 0.00 6.02 -1.26 -0.08 117.38 118.18 2oma n GLN 66 Ca -0.03 0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2oma n GLN 66 Cb 0.52 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2oma n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2oma s ASN 67 N -3.48 -0.06 -0.12 1.08 2.47 -1.21 -4.51 114.94 109.10 2oma s ASN 67 Ca 0.11 -0.38 -0.32 0.00 0.42 0.00 0.00 52.86 52.69 2oma s ASN 67 Cb 0.16 0.35 0.13 0.00 -1.45 0.00 0.00 41.25 40.44 2oma s ASN 67 CO 0.63 -0.66 1.07 0.00 -3.72 0.00 0.00 177.10 174.42 2oma s ALA 68 N -2.52 -1.96 0.23 1.71 0.00 -1.26 -4.90 121.76 113.06 2oma s ALA 68 Ca 0.18 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.60 2oma s ALA 68 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2oma s ALA 68 CO 0.01 -0.57 0.30 0.96 0.00 0.00 0.00 175.76 176.46 2oma s ILE 69 N -2.42 5.03 0.23 0.00 -4.36 -0.34 -4.91 121.20 114.43 2oma s ILE 69 Ca 0.06 -1.08 0.05 0.00 -0.26 0.00 0.00 60.65 59.43 2oma s ILE 69 Cb -0.01 -3.72 -0.06 0.00 1.25 0.00 0.00 42.46 39.92 2oma s ILE 69 CO -0.06 -0.31 1.53 0.71 0.24 0.00 0.00 174.94 177.06 2oma h THR 70 N 1.32 1.42 -3.98 8.37 1.35 -1.93 -0.67 112.91 118.80 2oma h THR 70 Ca -0.51 -2.15 -0.36 0.00 -0.55 0.00 0.00 66.41 62.84 2oma h THR 70 Cb 1.23 2.13 -0.24 0.00 -1.73 0.00 0.00 68.15 69.54 2oma h THR 70 CO 0.62 0.63 -0.76 0.00 -0.25 0.00 0.00 175.52 175.75 2oma s ARG 71 N -3.61 0.69 1.04 4.72 1.70 -1.26 -4.59 118.95 117.64 2oma s ARG 71 Ca -0.03 -0.69 -0.13 0.00 -0.47 0.00 0.00 55.73 54.41 2oma s ARG 71 Cb 0.12 -0.61 0.21 0.00 -0.57 0.00 0.00 34.95 34.10 2oma s ARG 71 CO 0.80 0.14 1.08 -1.12 -1.08 0.00 0.00 175.30 175.12 2oma s SER 72 N -1.22 2.26 0.00 -2.89 0.01 -1.26 -4.76 113.70 105.84 2oma s SER 72 Ca -0.03 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2oma s SER 72 Cb -0.08 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2oma s SER 72 CO 0.01 -3.36 0.00 0.61 0.41 0.00 0.00 173.24 170.91 2oma n GLY 73 N -0.79 0.14 3.01 3.44 0.00 -1.26 -4.96 105.19 104.76 2oma n GLY 73 Ca 0.05 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2oma n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oma n ALA 74 N -1.00 4.52 -3.10 4.61 0.00 -1.26 -4.68 120.51 119.60 2oma n ALA 74 Ca 0.00 -3.71 -0.20 0.00 0.00 0.00 0.00 53.44 49.53 2oma n ALA 74 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 15.84 2oma n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2oma n PHE 75 N 7.28 -0.83 -1.59 0.00 3.72 -1.26 -5.13 117.46 119.64 2oma n PHE 75 Ca 0.51 -3.27 -0.57 0.00 -0.05 0.00 0.00 57.45 54.07 2oma n PHE 75 Cb 0.41 0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 2oma n PHE 75 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2oma n THR 76 N 1.21 0.04 0.00 4.37 -1.04 -1.26 -1.74 114.28 115.86 2oma n THR 76 Ca 0.19 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2oma n THR 76 Cb 0.57 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2oma n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oma n GLY 77 N 2.55 1.57 3.96 3.41 0.00 -1.26 -5.06 105.19 110.36 2oma n GLY 77 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 2oma n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oma s GLU 78 N -0.50 3.30 -0.11 1.61 0.41 -0.71 -5.11 118.70 117.59 2oma s GLU 78 Ca 0.00 -0.86 0.02 0.00 -0.41 0.00 0.00 54.97 53.72 2oma s GLU 78 Cb 0.00 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.53 2oma s GLU 78 CO 0.00 0.34 -0.18 0.08 -0.49 0.00 0.00 175.26 175.01 2oma s VAL 79 N -2.05 1.66 0.59 2.63 1.01 -1.26 -5.02 120.40 117.95 2oma s VAL 79 Ca 0.37 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2oma s VAL 79 Cb -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2oma s VAL 79 CO 0.29 0.47 0.90 -0.94 0.00 0.00 0.00 175.10 175.82 2oma s SER 80 N 0.77 5.67 0.20 3.32 1.04 -1.26 -1.20 113.70 122.24 2oma s SER 80 Ca -0.11 0.78 -0.11 0.00 0.48 0.00 0.00 55.95 56.99 2oma s SER 80 Cb -0.16 -1.79 0.19 0.00 0.10 0.00 0.00 66.02 64.37 2oma s SER 80 CO 0.01 -1.02 1.81 -0.07 0.98 0.00 0.00 173.24 174.95 2oma h LEU 81 N -0.16 0.52 -0.57 2.42 3.38 -1.36 -2.64 115.31 116.90 2oma h LEU 81 Ca -0.45 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2oma h LEU 81 Cb 1.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2oma h LEU 81 CO 0.61 0.35 0.35 -0.61 0.09 0.00 0.00 178.44 179.23 2oma h GLN 82 N 0.66 0.77 -0.67 1.13 5.75 -1.86 0.15 115.11 121.04 2oma h GLN 82 Ca 0.27 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2oma h GLN 82 Cb 0.13 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2oma h GLN 82 CO -0.16 0.55 0.18 0.82 -2.65 0.00 0.00 178.83 177.57 2oma h ILE 83 N 0.77 1.26 -0.04 2.39 2.04 -1.93 -0.25 117.51 121.75 2oma h ILE 83 Ca 0.20 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2oma h ILE 83 Cb -0.03 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2oma h ILE 83 CO -0.04 0.35 0.02 -0.07 0.00 0.00 0.00 178.15 178.42 2oma h LEU 84 N 0.99 0.04 -1.64 1.44 3.38 -1.22 -2.65 115.31 115.66 2oma h LEU 84 Ca 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2oma h LEU 84 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2oma h LEU 84 CO -0.00 0.08 0.06 0.50 0.09 0.00 0.00 178.44 179.17 2oma h LYS 85 N 0.01 0.29 -0.43 1.13 3.64 -0.75 -1.00 116.57 119.46 2oma h LYS 85 Ca 0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2oma h LYS 85 Cb 0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2oma h LYS 85 CO -0.00 0.27 -0.04 0.22 -2.27 0.00 0.00 179.45 177.63 2oma h ASP 86 N 0.29 0.78 0.38 4.20 3.58 -0.93 -2.86 116.42 121.86 2oma h ASP 86 Ca 0.07 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2oma h ASP 86 Cb 0.10 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2oma h ASP 86 CO -0.01 0.92 0.00 0.22 -2.88 0.00 0.00 179.24 177.50 2oma h TYR 87 N 0.62 0.00 0.00 0.28 3.20 -1.08 -3.45 116.97 116.53 2oma h TYR 87 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2oma h TYR 87 Cb 0.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2oma h TYR 87 CO 0.04 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.97 2oma n GLY 88 N -0.66 1.17 3.55 1.82 0.00 -1.08 -5.07 105.19 104.91 2oma n GLY 88 Ca -0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 2oma n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oma s ILE 89 N -2.00 5.15 -0.36 -0.61 -1.09 -0.42 -4.96 121.20 116.91 2oma s ILE 89 Ca 0.00 0.09 0.12 0.00 -2.23 0.00 0.00 60.65 58.63 2oma s ILE 89 Cb 0.00 -3.84 0.30 0.00 -1.58 0.00 0.00 42.46 37.35 2oma s ILE 89 CO 0.00 -0.10 1.23 -1.54 -1.23 0.00 0.00 174.94 173.30 2oma n SER 90 N 5.42 2.91 -4.14 3.58 3.41 -1.26 -3.70 113.62 119.84 2oma n SER 90 Ca -0.09 -2.50 -0.17 0.00 -0.26 0.00 0.00 58.87 55.85 2oma n SER 90 Cb 0.49 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 2oma n SER 90 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2oma s TRP 91 N -1.89 1.09 -0.15 7.33 0.52 -1.25 -1.04 118.94 123.55 2oma s TRP 91 Ca 0.26 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 55.79 2oma s TRP 91 Cb 0.19 -0.63 0.04 0.00 -1.15 0.00 0.00 33.47 31.92 2oma s TRP 91 CO 0.08 0.02 0.40 0.54 0.02 0.00 0.00 176.95 178.02 2oma s VAL 92 N -1.22 -0.00 -0.06 4.03 0.11 -1.11 -1.27 120.40 120.89 2oma s VAL 92 Ca -0.03 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.82 2oma s VAL 92 Cb -0.10 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2oma s VAL 92 CO 0.02 0.00 0.58 -0.69 -3.33 0.00 0.00 175.10 171.68 2oma s VAL 93 N 0.28 5.04 -0.01 2.04 1.01 0.89 -1.18 120.40 128.47 2oma s VAL 93 Ca -0.01 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2oma s VAL 93 Cb -0.03 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2oma s VAL 93 CO -0.00 0.35 -0.07 -0.76 0.00 0.00 0.00 175.10 174.62 2oma s LEU 94 N 0.30 1.97 0.00 3.92 1.43 0.45 -3.35 118.68 123.40 2oma s LEU 94 Ca 0.31 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2oma s LEU 94 Cb -0.17 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.66 2oma s LEU 94 CO 0.15 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.42 2oma n GLY 95 N 2.98 0.64 3.59 -3.19 0.00 -1.26 -0.14 105.19 107.81 2oma n GLY 95 Ca -0.14 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 2oma n GLY 95 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oma n HIS 96 N -2.66 1.29 -0.33 1.61 -0.00 -1.26 -4.43 115.22 109.44 2oma n HIS 96 Ca 0.00 0.69 0.22 0.00 0.46 0.00 0.00 57.72 59.08 2oma n HIS 96 Cb 0.00 -2.27 0.49 0.00 -0.12 0.00 0.00 29.99 28.09 2oma n HIS 96 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2oma h SER 97 N 2.59 0.48 -0.39 0.26 4.64 -1.94 0.34 113.55 119.53 2oma h SER 97 Ca -0.41 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2oma h SER 97 Cb 1.34 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 2oma h SER 97 CO 0.65 0.09 0.23 -0.33 -0.87 0.00 0.00 176.83 176.60 2oma h GLU 98 N 0.42 0.57 -0.10 4.77 5.08 -1.98 0.10 114.58 123.44 2oma h GLU 98 Ca 0.60 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.68 2oma h GLU 98 Cb 1.46 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.60 2oma h GLU 98 CO -0.32 0.42 -0.85 0.00 -1.00 0.00 0.00 179.01 177.26 2oma h ARG 99 N 0.57 0.74 -0.52 2.33 3.08 -0.68 -1.63 114.38 118.27 2oma h ARG 99 Ca 0.15 -0.67 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 2oma h ARG 99 Cb 0.02 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2oma h ARG 99 CO -0.02 1.27 0.13 0.00 -1.07 0.00 0.00 179.97 180.28 2oma h ARG 100 N 0.45 0.82 0.16 0.04 3.08 -1.08 -1.75 114.38 116.09 2oma h ARG 100 Ca -0.08 -0.19 -0.33 0.00 0.07 0.00 0.00 59.98 59.45 2oma h ARG 100 Cb 1.49 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2oma h ARG 100 CO 0.17 0.78 -1.64 -0.07 -1.07 0.00 0.00 179.97 178.14 2oma h LEU 101 N 0.71 0.51 0.00 3.04 3.38 -1.02 -3.27 115.31 118.67 2oma h LEU 101 Ca 0.16 -0.74 -0.26 0.00 0.09 0.00 0.00 57.88 57.14 2oma h LEU 101 Cb 0.32 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2oma h LEU 101 CO 0.00 1.62 -2.14 -1.22 0.09 0.00 0.00 178.44 176.78 2oma n TYR 102 N -3.52 0.00 -0.67 1.13 4.01 -0.62 -4.63 117.16 112.86 2oma n TYR 102 Ca -0.20 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.61 2oma n TYR 102 Cb 1.06 -0.78 0.17 0.00 -0.31 0.00 0.00 39.34 39.48 2oma n TYR 102 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2oma n TYR 103 N -2.55 0.47 -1.88 -0.72 4.01 -0.71 -4.99 117.16 110.79 2oma n TYR 103 Ca -0.24 -0.76 -0.11 0.00 -0.16 0.00 0.00 57.90 56.63 2oma n TYR 103 Cb 0.95 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.79 2oma n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oma n GLY 104 N -0.48 0.42 3.52 2.72 0.00 -1.02 -4.90 105.19 105.43 2oma n GLY 104 Ca 0.15 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2oma n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oma s GLU 105 N -3.96 3.31 0.72 1.61 2.02 -0.91 -5.00 118.70 116.49 2oma s GLU 105 Ca 0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 2oma s GLU 105 Cb 0.00 -4.06 0.04 0.00 0.10 0.00 0.00 34.13 30.20 2oma s GLU 105 CO 0.00 -1.50 1.09 0.95 0.02 0.00 0.00 175.26 175.81 2oma s THR 106 N 3.93 2.98 0.23 3.63 -4.23 -1.26 -4.17 115.64 116.75 2oma s THR 106 Ca 0.30 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.92 2oma s THR 106 Cb -0.13 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.66 2oma s THR 106 CO 0.18 -0.37 1.65 0.78 -0.54 0.00 0.00 174.62 176.32 2oma h ASN 107 N -0.69 -0.34 -0.66 3.99 2.35 -1.96 0.30 115.58 118.56 2oma h ASN 107 Ca -0.45 0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 2oma h ASN 107 Cb 1.28 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 39.93 2oma h ASN 107 CO 0.64 -0.15 0.41 -0.08 -1.65 0.00 0.00 177.43 176.59 2oma h GLU 108 N 0.10 0.78 -0.36 0.81 4.57 -1.93 -0.52 114.58 118.03 2oma h GLU 108 Ca 0.36 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 2oma h GLU 108 Cb 0.61 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2oma h GLU 108 CO -0.61 0.52 -0.04 0.82 -1.18 0.00 0.00 179.01 178.53 2oma h ILE 109 N 0.81 1.27 0.96 2.32 2.04 -1.60 -0.99 117.51 122.31 2oma h ILE 109 Ca 0.26 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2oma h ILE 109 Cb 0.01 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2oma h ILE 109 CO -0.10 0.35 -0.46 0.58 0.00 0.00 0.00 178.15 178.51 2oma h VAL 110 N 0.46 0.00 -1.00 1.67 2.07 -0.86 -2.32 116.25 116.27 2oma h VAL 110 Ca 0.10 -0.06 0.33 0.00 0.82 0.00 0.00 66.70 67.89 2oma h VAL 110 Cb 0.52 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.10 2oma h VAL 110 CO 0.03 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.84 2oma h ALA 111 N -1.35 1.57 -0.35 1.67 0.00 -1.14 -0.99 119.26 118.67 2oma h ALA 111 Ca -0.13 0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2oma h ALA 111 Cb 0.99 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2oma h ALA 111 CO 0.22 -0.73 -0.35 1.49 0.00 0.00 0.00 179.25 179.88 2oma h GLU 112 N 0.00 0.80 -0.39 0.00 4.57 -1.00 -2.44 114.58 116.12 2oma h GLU 112 Ca 0.70 -0.39 -0.10 0.00 -1.18 0.00 0.00 59.36 58.39 2oma h GLU 112 Cb 1.64 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.22 2oma h GLU 112 CO -0.87 1.02 -0.18 0.87 -1.18 0.00 0.00 179.01 178.67 2oma h LYS 113 N 0.66 0.73 -0.01 1.92 1.57 -0.66 -1.92 116.57 118.85 2oma h LYS 113 Ca 0.07 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2oma h LYS 113 Cb 0.90 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 2oma h LYS 113 CO 0.08 0.86 -0.01 0.28 -0.57 0.00 0.00 179.45 180.09 2oma h VAL 114 N 0.65 1.36 -0.53 0.50 2.07 -1.23 -0.96 116.25 118.11 2oma h VAL 114 Ca 0.10 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.64 2oma h VAL 114 Cb 0.66 2.07 -0.11 0.00 -1.52 0.00 0.00 31.29 32.39 2oma h VAL 114 CO 0.05 0.28 -0.25 0.00 0.02 0.00 0.00 177.57 177.67 2oma h ALA 115 N 0.55 0.10 -0.58 1.67 0.00 -1.40 -2.69 119.26 116.91 2oma h ALA 115 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2oma h ALA 115 Cb 0.47 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2oma h ALA 115 CO 0.00 -0.59 0.24 1.96 0.00 0.00 0.00 179.25 180.87 2oma h GLN 116 N -0.13 0.86 -1.46 0.00 1.08 -1.37 -1.42 115.11 112.67 2oma h GLN 116 Ca 0.24 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2oma h GLN 116 Cb 0.50 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2oma h GLN 116 CO -0.61 0.73 0.00 0.00 -0.95 0.00 0.00 178.83 178.00 2oma n ALA 117 N -2.35 1.68 0.00 3.87 0.00 -0.37 -0.38 120.51 122.96 2oma n ALA 117 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2oma n ALA 117 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2oma n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oma n ALA 119 N 0.78 0.00 1.31 0.00 0.00 -0.54 -1.34 120.51 120.72 2oma n ALA 119 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2oma n ALA 119 Cb 0.11 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.19 2oma n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oma n ALA 120 N 0.00 2.28 -0.59 0.00 0.00 0.49 -4.89 120.51 117.81 2oma n ALA 120 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2oma n ALA 120 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2oma n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oma n GLY 121 N 0.31 0.68 3.80 0.00 0.00 -0.85 -5.05 105.19 104.09 2oma n GLY 121 Ca 0.16 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2oma n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oma s PHE 122 N -2.00 3.58 0.27 1.61 0.40 -0.45 -4.98 117.98 116.42 2oma s PHE 122 Ca 0.00 1.69 -0.23 0.00 -0.60 0.00 0.00 56.93 57.79 2oma s PHE 122 Cb 0.00 -2.87 -0.09 0.00 0.51 0.00 0.00 43.02 40.57 2oma s PHE 122 CO 0.00 0.14 0.84 -1.01 0.70 0.00 0.00 175.22 175.89 2oma s HIS 123 N -1.76 3.67 -0.06 0.36 3.76 -0.21 -4.89 115.29 116.17 2oma s HIS 123 Ca 0.53 1.60 0.04 0.00 -0.15 0.00 0.00 55.06 57.08 2oma s HIS 123 Cb -0.16 -2.78 -0.00 0.00 1.11 0.00 0.00 32.58 30.75 2oma s HIS 123 CO 0.21 0.27 -0.19 0.08 -0.85 0.00 0.00 174.74 174.25 2oma s VAL 124 N -1.57 1.62 -0.44 -0.90 1.01 0.13 -2.73 120.40 117.52 2oma s VAL 124 Ca 0.47 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 2oma s VAL 124 Cb -0.18 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 34.89 2oma s VAL 124 CO 0.22 0.46 0.31 -0.63 0.00 0.00 0.00 175.10 175.47 2oma s ILE 125 N 0.12 4.51 -0.32 2.22 1.01 -0.32 -0.30 121.20 128.13 2oma s ILE 125 Ca -0.07 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.02 2oma s ILE 125 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2oma s ILE 125 CO 0.04 -0.57 0.62 -0.69 0.00 0.00 0.00 174.94 174.34 2oma s VAL 126 N 1.48 4.93 0.17 2.92 1.01 -0.11 -0.41 120.40 130.39 2oma s VAL 126 Ca 0.04 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 2oma s VAL 126 Cb -0.24 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 2oma s VAL 126 CO 0.03 -0.18 0.53 0.00 0.00 0.00 0.00 175.10 175.49 2oma s VAL 128 N -1.59 0.06 0.00 0.00 1.01 -0.65 -4.67 120.40 114.55 2oma s VAL 128 Ca 0.41 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2oma s VAL 128 Cb -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2oma s VAL 128 CO 0.20 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2oma n GLY 129 N 1.90 2.11 3.72 4.51 0.00 -1.26 -0.30 105.19 115.87 2oma n GLY 129 Ca -0.20 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2oma n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2oma s GLU 130 N -2.00 2.82 0.95 1.61 1.03 -1.26 -4.83 118.70 117.02 2oma s GLU 130 Ca 0.00 -0.63 -0.14 0.00 0.03 0.00 0.00 54.97 54.23 2oma s GLU 130 Cb 0.00 -2.70 0.16 0.00 -0.80 0.00 0.00 34.13 30.79 2oma s GLU 130 CO 0.00 0.61 1.17 0.95 -1.33 0.00 0.00 175.26 176.66 2oma s THR 131 N -1.20 1.94 0.12 1.83 -4.23 -1.26 -1.51 115.64 111.34 2oma s THR 131 Ca 0.23 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 2oma s THR 131 Cb -0.12 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 2oma s THR 131 CO 0.14 0.00 1.73 -1.13 -0.54 0.00 0.00 174.62 174.82 2oma h ASN 132 N -1.64 0.35 -0.46 3.99 -1.24 -1.79 -0.45 115.58 114.35 2oma h ASN 132 Ca -0.48 -0.08 0.05 0.00 0.71 0.00 0.00 56.30 56.49 2oma h ASN 132 Cb 1.31 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.23 2oma h ASN 132 CO 0.54 0.34 0.21 -0.33 -1.29 0.00 0.00 177.43 176.90 2oma h GLU 133 N 0.35 0.41 -0.34 6.67 3.07 -1.95 -0.80 114.58 121.99 2oma h GLU 133 Ca 0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2oma h GLU 133 Cb 0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2oma h GLU 133 CO -0.02 0.27 0.16 0.93 -1.40 0.00 0.00 179.01 178.96 2oma h GLU 134 N 0.42 0.49 -0.41 2.33 5.08 -1.91 -2.68 114.58 117.91 2oma h GLU 134 Ca 0.21 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2oma h GLU 134 Cb 0.14 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2oma h GLU 134 CO -0.17 0.45 0.13 -0.09 -1.00 0.00 0.00 179.01 178.33 2oma h ARG 135 N 0.42 0.28 0.00 2.33 2.43 -0.78 -1.50 114.38 117.56 2oma h ARG 135 Ca 0.12 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2oma h ARG 135 Cb 0.12 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2oma h ARG 135 CO -0.01 0.18 -0.20 0.93 -1.51 0.00 0.00 179.97 179.36 2oma h GLU 136 N 0.29 0.00 -0.02 0.20 4.39 -1.15 -0.74 114.58 117.54 2oma h GLU 136 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2oma h GLU 136 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2oma h GLU 136 CO -0.21 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2oma n ALA 137 N -2.26 2.62 -3.09 3.43 0.00 -1.01 -4.91 120.51 115.29 2oma n ALA 137 Ca -0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 2oma n ALA 137 Cb 0.36 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.52 2oma n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oma n GLY 138 N 0.92 -0.38 0.39 0.00 0.00 -0.28 -4.93 105.19 100.92 2oma n GLY 138 Ca 0.18 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.32 2oma n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oma n ARG 139 N -3.89 2.36 -0.05 1.61 1.74 -0.58 -4.76 116.66 113.10 2oma n ARG 139 Ca -0.07 -2.36 -0.13 0.00 -0.77 0.00 0.00 57.85 54.52 2oma n ARG 139 Cb 0.59 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 2oma n ARG 139 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2oma h THR 140 N 0.86 0.07 -0.22 0.55 2.02 -1.82 -1.21 112.91 113.16 2oma h THR 140 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2oma h THR 140 Cb 0.99 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2oma h THR 140 CO 0.07 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.07 2oma h ALA 141 N 0.03 0.26 -0.51 6.16 0.00 -1.96 -1.83 119.26 121.41 2oma h ALA 141 Ca 0.08 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2oma h ALA 141 Cb 0.64 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2oma h ALA 141 CO -0.48 -0.30 0.20 0.00 0.00 0.00 0.00 179.25 178.67 2oma h ALA 142 N 1.11 0.64 0.44 0.00 0.00 -1.86 -0.60 119.26 118.99 2oma h ALA 142 Ca 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2oma h ALA 142 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2oma h ALA 142 CO -0.06 -0.19 -0.21 0.28 0.00 0.00 0.00 179.25 179.07 2oma h VAL 143 N 0.39 0.48 -0.40 0.00 2.07 -1.18 -2.00 116.25 115.60 2oma h VAL 143 Ca 0.25 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2oma h VAL 143 Cb 0.25 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2oma h VAL 143 CO -0.24 0.07 -0.05 -0.37 0.02 0.00 0.00 177.57 177.00 2oma h VAL 144 N -0.89 1.24 -0.01 2.57 -1.51 -1.31 -1.24 116.25 115.10 2oma h VAL 144 Ca -0.06 -1.01 -0.14 0.00 -1.23 0.00 0.00 66.70 64.26 2oma h VAL 144 Cb 0.57 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 2oma h VAL 144 CO 0.10 0.35 -0.64 -0.07 -1.23 0.00 0.00 177.57 176.08 2oma h LEU 145 N 0.62 0.04 -0.33 4.19 3.38 -1.20 0.33 115.31 122.35 2oma h LEU 145 Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2oma h LEU 145 Cb 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2oma h LEU 145 CO 0.02 0.67 -0.10 0.74 0.09 0.00 0.00 178.44 179.86 2oma h THR 146 N 0.02 1.28 -0.63 0.22 2.02 -1.09 0.32 112.91 115.06 2oma h THR 146 Ca -0.01 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 2oma h THR 146 Cb 1.13 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2oma h THR 146 CO 0.09 0.38 0.36 1.56 0.37 0.00 0.00 175.52 178.27 2oma h GLN 147 N 0.42 0.87 -0.10 6.66 4.20 -1.08 -1.23 115.11 124.85 2oma h GLN 147 Ca 0.08 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2oma h GLN 147 Cb 0.61 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2oma h GLN 147 CO 0.04 0.64 -0.04 1.25 -0.67 0.00 0.00 178.83 180.05 2oma h LEU 148 N 0.86 0.21 -1.88 1.46 5.85 -0.79 -2.94 115.31 118.08 2oma h LEU 148 Ca 0.22 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2oma h LEU 148 Cb 0.02 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2oma h LEU 148 CO -0.04 0.55 -0.12 0.00 -0.34 0.00 0.00 178.44 178.49 2oma h ALA 149 N 0.66 1.27 -0.16 1.25 0.00 -0.27 0.08 119.26 122.09 2oma h ALA 149 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2oma h ALA 149 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2oma h ALA 149 CO 0.01 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.22 2oma h ALA 150 N 1.88 0.24 0.22 0.00 0.00 -1.17 -1.07 119.26 119.37 2oma h ALA 150 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2oma h ALA 150 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2oma h ALA 150 CO 0.02 0.17 -0.11 -0.39 0.00 0.00 0.00 179.25 178.94 2oma h VAL 151 N 0.06 0.86 -1.01 0.00 -1.51 -1.28 -3.24 116.25 110.13 2oma h VAL 151 Ca 0.02 -0.55 0.24 0.00 -1.23 0.00 0.00 66.70 65.18 2oma h VAL 151 Cb 0.75 1.17 -0.10 0.00 -2.13 0.00 0.00 31.29 30.98 2oma h VAL 151 CO 0.05 0.12 0.64 0.00 -1.23 0.00 0.00 177.57 177.14 2oma h ALA 152 N 0.12 2.05 -0.08 5.19 0.00 -1.01 -1.44 119.26 124.09 2oma h ALA 152 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2oma h ALA 152 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2oma h ALA 152 CO 0.05 -0.44 0.07 0.37 0.00 0.00 0.00 179.25 179.30 2oma h GLN 153 N 0.50 0.00 -0.00 0.00 4.15 -1.21 -2.14 115.11 116.40 2oma h GLN 153 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.00 2oma h GLN 153 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2oma h GLN 153 CO -0.32 0.00 -0.16 1.63 -1.93 0.00 0.00 178.83 178.05 2oma n LYS 154 N -4.22 0.60 -4.45 1.69 5.02 -0.54 -4.93 118.16 111.32 2oma n LYS 154 Ca -0.01 -0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 55.78 2oma n LYS 154 Cb 0.18 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 2oma n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oma s LEU 155 N -2.57 2.95 0.41 -0.35 1.43 -0.81 -4.89 118.68 114.86 2oma s LEU 155 Ca 0.25 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.16 2oma s LEU 155 Cb 0.20 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 45.25 2oma s LEU 155 CO 0.51 -0.44 0.02 -0.94 0.23 0.00 0.00 176.35 175.72 2oma s SER 156 N -3.76 3.69 0.31 2.29 1.04 -1.26 -4.99 113.70 111.02 2oma s SER 156 Ca 0.37 -1.42 0.07 0.00 0.48 0.00 0.00 55.95 55.44 2oma s SER 156 Cb 0.07 -0.20 0.86 0.00 0.10 0.00 0.00 66.02 66.85 2oma s SER 156 CO 0.19 -0.54 1.63 0.50 0.98 0.00 0.00 173.24 176.00 2oma h LYS 157 N 1.75 0.18 0.00 4.02 3.64 -1.96 -1.19 116.57 123.00 2oma h LYS 157 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2oma h LYS 157 Cb 1.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2oma h LYS 157 CO 0.78 0.12 0.00 -0.85 -2.27 0.00 0.00 179.45 177.23 2oma n GLU 158 N -5.23 0.09 0.11 1.90 0.00 -1.26 -2.80 120.64 113.45 2oma n GLU 158 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.54 2oma n GLU 158 Cb 0.82 -1.62 0.31 0.00 0.00 0.00 0.00 31.44 30.95 2oma n GLU 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2oma h ALA 159 N 2.75 1.31 0.00 -1.84 0.00 -1.61 -3.35 119.26 116.52 2oma h ALA 159 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2oma h ALA 159 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2oma h ALA 159 CO 0.00 0.48 -0.06 -1.49 0.00 0.00 0.00 179.25 178.17 2oma h TRP 160 N 0.19 0.00 0.00 0.00 4.06 -1.66 -0.84 115.95 117.70 2oma h TRP 160 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2oma h TRP 160 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 2oma h TRP 160 CO 0.01 0.06 0.19 0.66 -3.56 0.00 0.00 178.44 175.81 2oma h SER 161 N 0.00 0.00 -0.01 -3.49 4.64 -1.81 -2.40 113.55 110.48 2oma h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oma h SER 161 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2oma h SER 161 CO 0.01 0.00 -0.13 0.54 -0.87 0.00 0.00 176.83 176.38 2oma n ARG 162 N -2.68 1.94 -4.04 4.77 5.12 -0.32 -5.00 116.66 116.44 2oma n ARG 162 Ca -0.02 -0.58 -0.34 0.00 -1.93 0.00 0.00 57.85 54.99 2oma n ARG 162 Cb 0.24 -1.02 -0.06 0.00 -1.16 0.00 0.00 32.46 30.46 2oma n ARG 162 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2oma s VAL 163 N -1.04 5.02 -0.01 1.55 1.01 -0.91 -0.69 120.40 125.33 2oma s VAL 163 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2oma s VAL 163 Cb 0.06 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2oma s VAL 163 CO 0.17 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 174.93 2oma s VAL 164 N -1.16 0.58 -0.13 2.92 1.01 0.59 -4.59 120.40 119.61 2oma s VAL 164 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2oma s VAL 164 Cb -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2oma s VAL 164 CO 0.12 0.16 0.05 -0.63 0.00 0.00 0.00 175.10 174.81 2oma s ILE 165 N -0.16 4.74 -0.22 2.22 -1.09 -0.54 -0.94 121.20 125.20 2oma s ILE 165 Ca 0.03 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 2oma s ILE 165 Cb -0.03 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 2oma s ILE 165 CO -0.00 0.55 -0.04 0.00 -1.23 0.00 0.00 174.94 174.22 2oma s ALA 166 N -0.42 2.82 -0.24 9.38 0.00 -0.32 -0.12 121.76 132.86 2oma s ALA 166 Ca 0.09 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 2oma s ALA 166 Cb -0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2oma s ALA 166 CO 0.02 -0.46 0.76 -0.47 0.00 0.00 0.00 175.76 175.61 2oma s TYR 167 N 1.48 3.31 -0.41 0.00 5.04 0.22 -1.64 117.35 125.34 2oma s TYR 167 Ca 0.06 1.03 -0.12 0.00 -2.44 0.00 0.00 57.07 55.60 2oma s TYR 167 Cb -0.14 -2.97 0.05 0.00 0.35 0.00 0.00 41.96 39.25 2oma s TYR 167 CO -0.03 -0.36 0.27 -1.21 -1.34 0.00 0.00 175.55 172.88 2oma s GLU 168 N 2.66 2.80 -1.14 4.97 2.02 0.58 0.15 118.70 130.74 2oma s GLU 168 Ca 0.32 -1.25 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 2oma s GLU 168 Cb -0.15 -3.85 0.07 0.00 0.10 0.00 0.00 34.13 30.29 2oma s GLU 168 CO 0.08 -0.85 1.55 -1.25 0.02 0.00 0.00 175.26 174.81 2oma s PRO 169 N 1.54 3.77 0.35 0.39 0.04 -1.26 -4.03 135.00 135.80 2oma s PRO 169 Ca 0.03 -1.56 0.14 0.00 0.04 0.00 0.00 61.00 59.64 2oma s PRO 169 Cb -0.21 -5.40 0.65 0.00 0.04 0.00 0.00 34.50 29.58 2oma s PRO 169 CO 0.06 -2.19 1.77 0.28 0.04 0.00 0.00 177.00 176.95 2oma h VAL 170 N 6.17 1.23 -0.89 -0.36 2.07 -1.85 0.01 116.25 122.64 2oma h VAL 170 Ca 0.30 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.39 2oma h VAL 170 Cb 0.95 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 2oma h VAL 170 CO 1.42 0.42 0.58 4.11 0.02 0.00 0.00 177.57 184.12 2oma h TRP 171 N 0.00 1.02 0.04 1.57 5.08 -1.46 0.64 115.95 122.83 2oma h TRP 171 Ca -0.00 0.03 -0.09 0.00 1.08 0.00 0.00 58.89 59.90 2oma h TRP 171 Cb 0.79 -0.33 -0.00 0.00 -3.00 0.00 0.00 29.16 26.61 2oma h TRP 171 CO 0.00 0.53 -0.45 0.00 -1.28 0.00 0.00 178.44 177.24 2oma h ALA 172 N 1.52 0.03 -0.48 0.11 0.00 -1.44 -3.21 119.26 115.80 2oma h ALA 172 Ca 0.38 -0.68 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2oma h ALA 172 Cb 0.22 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2oma h ALA 172 CO -0.14 0.24 -0.07 0.82 0.00 0.00 0.00 179.25 180.10 2oma h ILE 173 N -0.82 0.57 -0.00 0.00 2.04 -1.01 -0.24 117.51 118.06 2oma h ILE 173 Ca -0.10 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2oma h ILE 173 Cb 1.23 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2oma h ILE 173 CO 0.01 0.01 -0.01 0.61 0.00 0.00 0.00 178.15 178.76 2oma n GLY 174 N -1.33 -1.22 0.42 5.37 0.00 0.21 -2.77 105.19 105.87 2oma n GLY 174 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2oma n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oma n THR 175 N -1.22 0.33 -1.73 2.61 -2.24 -0.91 -5.00 114.28 106.12 2oma n THR 175 Ca 0.15 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 2oma n THR 175 Cb 0.23 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 2oma n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oma n GLY 176 N 0.46 0.67 3.93 3.38 0.00 -0.53 -5.02 105.19 108.09 2oma n GLY 176 Ca 0.07 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2oma n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oma s LYS 177 N -3.69 3.50 -0.35 1.61 1.02 -0.21 -5.03 119.74 116.60 2oma s LYS 177 Ca 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 2oma s LYS 177 Cb 0.00 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2oma s LYS 177 CO 0.00 0.39 0.21 0.08 -0.92 0.00 0.00 175.35 175.11 2oma s VAL 178 N -1.91 4.82 0.48 3.17 1.01 -1.26 -4.28 120.40 122.44 2oma s VAL 178 Ca 0.38 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2oma s VAL 178 Cb -0.11 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2oma s VAL 178 CO 0.30 -0.09 1.20 0.00 0.00 0.00 0.00 175.10 176.51 2oma s ALA 179 N 1.63 2.93 0.59 5.51 0.00 -1.26 -5.02 121.76 126.13 2oma s ALA 179 Ca 0.04 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 2oma s ALA 179 Cb -0.18 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2oma s ALA 179 CO 0.08 -0.81 1.02 0.95 0.00 0.00 0.00 175.76 177.00 2oma s THR 180 N -1.50 4.54 0.55 0.00 -4.23 -1.26 -4.88 115.64 108.85 2oma s THR 180 Ca 0.66 0.96 0.38 0.00 -1.18 0.00 0.00 61.69 62.51 2oma s THR 180 Cb -0.31 -3.75 0.57 0.00 1.34 0.00 0.00 72.50 70.35 2oma s THR 180 CO 0.37 -0.94 1.78 -0.65 -0.54 0.00 0.00 174.62 174.64 2oma h PRO 181 N 0.07 0.00 0.15 3.99 0.11 -1.95 -1.91 132.00 132.45 2oma h PRO 181 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 2oma h PRO 181 Cb 1.19 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.33 2oma h PRO 181 CO 0.61 0.00 -1.30 1.96 -0.21 0.00 0.00 178.00 179.06 2oma h GLN 182 N 0.00 0.58 -0.39 1.05 7.50 -1.95 -0.58 115.11 121.31 2oma h GLN 182 Ca 0.60 -0.82 -0.02 0.00 0.50 0.00 0.00 58.65 58.91 2oma h GLN 182 Cb 2.43 0.28 -0.02 0.00 0.05 0.00 0.00 27.48 30.22 2oma h GLN 182 CO -0.01 1.38 0.18 1.96 -1.50 0.00 0.00 178.83 180.84 2oma h GLN 183 N 0.23 0.57 0.91 1.46 4.20 -1.83 -0.76 115.11 119.89 2oma h GLN 183 Ca -0.20 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 2oma h GLN 183 Cb 1.97 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 29.66 2oma h GLN 183 CO 0.24 0.52 -0.45 0.00 -0.67 0.00 0.00 178.83 178.47 2oma h ALA 184 N 1.03 -1.25 -0.92 3.87 0.00 -1.38 -3.11 119.26 117.50 2oma h ALA 184 Ca 0.13 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.90 2oma h ALA 184 Cb 0.14 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2oma h ALA 184 CO -0.02 -1.20 0.59 0.37 0.00 0.00 0.00 179.25 178.99 2oma h GLN 185 N -1.24 0.81 -0.63 0.00 5.75 -1.09 -1.48 115.11 117.23 2oma h GLN 185 Ca -0.12 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2oma h GLN 185 Cb 0.96 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.25 2oma h GLN 185 CO 0.19 0.53 0.22 1.49 -2.65 0.00 0.00 178.83 178.61 2oma h GLU 186 N 0.83 0.37 0.11 1.69 4.81 -1.06 0.72 114.58 122.05 2oma h GLU 186 Ca 0.45 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.40 2oma h GLU 186 Cb 0.57 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2oma h GLU 186 CO -0.22 0.25 -1.19 0.28 -0.73 0.00 0.00 179.01 177.40 2oma h VAL 187 N 0.38 1.48 -0.52 0.32 2.07 -1.27 -3.17 116.25 115.55 2oma h VAL 187 Ca 0.32 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 2oma h VAL 187 Cb 0.43 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 2oma h VAL 187 CO -0.34 0.86 0.28 0.45 0.02 0.00 0.00 177.57 178.85 2oma h HIS 188 N 0.10 0.70 -0.64 1.57 3.86 -0.91 -1.84 115.15 117.98 2oma h HIS 188 Ca -0.12 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 58.99 2oma h HIS 188 Cb 1.90 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 30.11 2oma h HIS 188 CO 0.06 0.49 0.06 1.49 0.86 0.00 0.00 177.93 180.90 2oma h GLU 189 N 0.72 1.08 0.10 2.45 4.22 -0.87 -1.84 114.58 120.43 2oma h GLU 189 Ca 0.19 -0.31 -0.28 0.00 0.08 0.00 0.00 59.36 59.04 2oma h GLU 189 Cb 0.03 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.18 2oma h GLU 189 CO -0.03 1.01 -1.18 1.37 -2.18 0.00 0.00 179.01 178.00 2oma h LEU 190 N 1.00 0.70 -0.22 1.64 8.10 -1.45 0.25 115.31 125.32 2oma h LEU 190 Ca 0.19 -0.65 0.02 0.00 0.11 0.00 0.00 57.88 57.55 2oma h LEU 190 Cb 0.49 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 2oma h LEU 190 CO 0.02 1.47 0.07 -0.07 -4.11 0.00 0.00 178.44 175.82 2oma h LEU 191 N 0.22 0.08 -0.43 0.17 3.38 -1.31 -1.81 115.31 115.60 2oma h LEU 191 Ca -0.15 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2oma h LEU 191 Cb 1.86 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 2oma h LEU 191 CO 0.21 0.07 0.24 -0.09 0.09 0.00 0.00 178.44 178.97 2oma h ARG 192 N 0.18 0.48 -1.00 1.13 2.43 -1.21 -1.02 114.38 115.36 2oma h ARG 192 Ca 0.10 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2oma h ARG 192 Cb 0.07 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.43 2oma h ARG 192 CO -0.10 0.31 0.64 -0.09 -1.51 0.00 0.00 179.97 179.22 2oma h ARG 193 N 0.49 1.04 -0.15 0.20 2.43 -0.79 0.12 114.38 117.72 2oma h ARG 193 Ca 0.18 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2oma h ARG 193 Cb 0.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2oma h ARG 193 CO -0.09 0.69 0.03 2.35 -1.51 0.00 0.00 179.97 181.44 2oma h TRP 194 N 1.07 0.26 -0.48 2.20 7.01 -1.14 -2.65 115.95 122.22 2oma h TRP 194 Ca 0.47 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.49 2oma h TRP 194 Cb 0.35 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 2oma h TRP 194 CO -0.00 0.40 0.21 0.28 -2.79 0.00 0.00 178.44 176.53 2oma h VAL 195 N 0.04 0.90 -0.43 2.65 2.07 -0.78 -1.21 116.25 119.49 2oma h VAL 195 Ca 0.05 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2oma h VAL 195 Cb 0.28 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2oma h VAL 195 CO 0.00 0.08 0.11 -0.09 0.02 0.00 0.00 177.57 177.69 2oma h ARG 196 N 0.41 0.25 -0.04 1.57 2.43 -0.79 -0.49 114.38 117.73 2oma h ARG 196 Ca 0.22 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.17 2oma h ARG 196 Cb 0.18 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2oma h ARG 196 CO -0.19 0.17 -0.85 0.66 -1.51 0.00 0.00 179.97 178.24 2oma h SER 197 N 0.26 0.55 0.32 -3.80 4.64 -1.21 -2.31 113.55 112.01 2oma h SER 197 Ca 0.20 -0.40 -0.33 0.00 -0.47 0.00 0.00 61.79 60.79 2oma h SER 197 Cb 0.23 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2oma h SER 197 CO -0.24 1.18 -1.63 0.11 -0.87 0.00 0.00 176.83 175.38 2oma h LYS 198 N 0.27 0.34 0.00 4.77 6.56 -1.19 -3.42 116.57 123.89 2oma h LYS 198 Ca -0.06 -0.58 -0.01 0.00 -1.06 0.00 0.00 60.65 58.94 2oma h LYS 198 Cb 1.47 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 33.34 2oma h LYS 198 CO 0.15 1.23 -1.25 1.28 -2.06 0.00 0.00 179.45 178.79 2oma n LEU 199 N -3.53 0.00 0.00 2.94 4.77 -0.20 -5.09 117.00 115.88 2oma n LEU 199 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2oma n LEU 199 Cb 1.06 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2oma n LEU 199 CO 0.52 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2oma n GLY 200 N 2.28 3.60 0.19 -0.72 0.00 -0.87 -4.63 105.19 105.04 2oma n GLY 200 Ca -0.02 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 2oma n GLY 200 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oma h THR 201 N 0.33 1.35 0.20 2.61 1.35 -1.88 -1.40 112.91 115.47 2oma h THR 201 Ca 0.00 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 2oma h THR 201 Cb 0.00 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 2oma h THR 201 CO 0.00 0.62 -0.39 -2.24 -0.25 0.00 0.00 175.52 173.26 2oma h ASP 202 N 0.35 -1.14 -0.11 5.36 3.04 -1.95 0.43 116.42 122.40 2oma h ASP 202 Ca -0.03 0.11 0.04 0.00 -3.24 0.00 0.00 57.03 53.92 2oma h ASP 202 Cb 1.27 0.40 -0.06 0.00 -1.04 0.00 0.00 39.33 39.91 2oma h ASP 202 CO 0.13 -0.45 -0.30 0.40 -2.04 0.00 0.00 179.24 176.97 2oma h ILE 203 N -0.64 0.32 -0.43 4.15 1.08 -1.82 -2.43 117.51 117.74 2oma h ILE 203 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 2oma h ILE 203 Cb 0.60 0.32 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 2oma h ILE 203 CO -0.15 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.24 2oma h ALA 204 N 0.44 0.33 -0.09 1.87 0.00 -1.24 -2.45 119.26 118.13 2oma h ALA 204 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2oma h ALA 204 Cb 0.53 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2oma h ALA 204 CO -0.33 -0.43 0.02 0.00 0.00 0.00 0.00 179.25 178.51 2oma h ALA 205 N 1.41 1.88 0.00 0.00 0.00 0.04 -3.23 119.26 119.36 2oma h ALA 205 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2oma h ALA 205 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2oma h ALA 205 CO -0.41 0.10 -0.88 1.04 0.00 0.00 0.00 179.25 179.09 2oma n GLN 206 N -4.49 0.05 -2.61 0.00 6.02 -0.93 -4.20 117.38 111.22 2oma n GLN 206 Ca -0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2oma n GLN 206 Cb 0.11 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2oma n GLN 206 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2oma s LEU 207 N -3.14 4.34 -0.06 1.08 2.96 -0.95 -4.83 118.68 118.09 2oma s LEU 207 Ca 0.08 1.74 -0.20 0.00 -0.22 0.00 0.00 54.13 55.53 2oma s LEU 207 Cb 0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 2oma s LEU 207 CO 0.81 -0.37 0.56 -0.13 -1.32 0.00 0.00 176.35 175.90 2oma s ARG 208 N 1.31 4.32 -0.26 1.98 3.00 -1.26 -4.89 118.95 123.15 2oma s ARG 208 Ca 0.53 0.64 0.01 0.00 0.00 0.00 0.00 55.73 56.91 2oma s ARG 208 Cb -0.23 -3.39 0.07 0.00 0.00 0.00 0.00 34.95 31.41 2oma s ARG 208 CO 0.26 0.26 -0.01 0.42 0.00 0.00 0.00 175.30 176.23 2oma s ILE 209 N 0.23 1.42 0.16 1.52 1.01 -1.26 -1.47 121.20 122.81 2oma s ILE 209 Ca 0.30 -1.33 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 2oma s ILE 209 Cb -0.17 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 2oma s ILE 209 CO 0.15 -0.27 0.47 -0.76 0.00 0.00 0.00 174.94 174.53 2oma s LEU 210 N 1.41 4.26 -0.24 2.97 1.43 0.82 -1.12 118.68 128.21 2oma s LEU 210 Ca -0.01 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 53.77 2oma s LEU 210 Cb -0.18 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2oma s LEU 210 CO -0.10 0.04 0.40 -0.47 0.23 0.00 0.00 176.35 176.46 2oma s TYR 211 N -1.63 3.30 -0.28 0.29 5.04 0.80 0.70 117.35 125.57 2oma s TYR 211 Ca 0.41 0.52 0.11 0.00 -2.44 0.00 0.00 57.07 55.67 2oma s TYR 211 Cb -0.13 -2.57 0.58 0.00 0.35 0.00 0.00 41.96 40.19 2oma s TYR 211 CO 0.21 -0.15 1.58 0.41 -1.34 0.00 0.00 175.55 176.26 2oma n GLY 212 N 4.35 4.34 0.00 8.97 0.00 0.38 -1.28 105.19 121.96 2oma n GLY 212 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2oma n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oma n GLY 213 N -0.75 0.02 3.62 -0.02 0.00 -1.24 -4.45 105.19 102.37 2oma n GLY 213 Ca 0.35 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 2oma n GLY 213 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oma s SER 214 N -1.00 6.63 -0.11 1.61 0.15 -1.26 -4.62 113.70 115.10 2oma s SER 214 Ca 0.00 1.05 0.02 0.00 0.70 0.00 0.00 55.95 57.72 2oma s SER 214 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2oma s SER 214 CO 0.00 -1.15 -0.15 -0.69 1.20 0.00 0.00 173.24 172.45 2oma s VAL 215 N 4.52 1.48 0.26 4.45 1.01 -1.26 -4.89 120.40 125.97 2oma s VAL 215 Ca 0.55 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2oma s VAL 215 Cb -0.15 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2oma s VAL 215 CO 0.25 0.44 0.06 0.42 0.00 0.00 0.00 175.10 176.26 2oma s THR 216 N 0.99 0.84 0.52 3.92 -4.23 -1.26 -4.56 115.64 111.87 2oma s THR 216 Ca -0.07 -2.01 0.39 0.00 -1.18 0.00 0.00 61.69 58.83 2oma s THR 216 Cb -0.15 -2.58 0.41 0.00 1.34 0.00 0.00 72.50 71.52 2oma s THR 216 CO -0.02 -0.10 2.25 0.00 -0.54 0.00 0.00 174.62 176.22 2oma h ALA 217 N 2.35 1.10 0.04 3.99 0.00 -1.93 0.01 119.26 124.82 2oma h ALA 217 Ca -0.39 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2oma h ALA 217 Cb 1.24 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2oma h ALA 217 CO 0.64 0.02 -0.73 1.57 0.00 0.00 0.00 179.25 180.75 2oma h LYS 218 N 0.00 0.42 -0.02 0.00 5.09 -1.97 -3.35 116.57 116.75 2oma h LYS 218 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2oma h LYS 218 Cb 0.14 0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.62 2oma h LYS 218 CO 0.00 1.17 -0.42 0.27 -2.09 0.00 0.00 179.45 178.39 2oma n ASN 219 N -4.14 2.15 0.03 7.07 0.23 -1.04 -4.69 115.26 114.87 2oma n ASN 219 Ca -0.11 -1.57 -0.11 0.00 -0.53 0.00 0.00 54.58 52.25 2oma n ASN 219 Cb 0.75 0.42 -0.06 0.00 -2.08 0.00 0.00 39.78 38.81 2oma n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oma h ALA 220 N 3.96 -0.02 -0.74 -2.53 0.00 -1.13 -1.66 119.26 117.13 2oma h ALA 220 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oma h ALA 220 Cb 0.78 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2oma h ALA 220 CO 0.00 -0.53 0.31 -0.09 0.00 0.00 0.00 179.25 178.94 2oma h ARG 221 N -0.07 1.09 -0.05 0.00 9.65 -1.83 -0.70 114.38 122.47 2oma h ARG 221 Ca 0.03 -0.19 -0.13 0.00 -1.10 0.00 0.00 59.98 58.59 2oma h ARG 221 Cb 0.11 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2oma h ARG 221 CO -0.07 0.88 -0.57 1.79 2.80 0.00 0.00 179.97 184.80 2oma h THR 222 N 1.05 1.39 -0.32 0.20 1.35 -1.81 -2.09 112.91 112.69 2oma h THR 222 Ca 0.25 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.16 2oma h THR 222 Cb 0.19 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2oma h THR 222 CO -0.02 0.56 0.14 -0.07 -0.25 0.00 0.00 175.52 175.89 2oma h LEU 223 N 0.11 0.43 -1.42 3.87 3.38 -0.87 -3.23 115.31 117.59 2oma h LEU 223 Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2oma h LEU 223 Cb 1.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2oma h LEU 223 CO 0.08 0.45 -0.29 0.22 0.09 0.00 0.00 178.44 178.99 2oma h TYR 224 N 0.38 0.00 0.00 1.13 3.20 -0.96 -1.78 116.97 118.94 2oma h TYR 224 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2oma h TYR 224 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2oma h TYR 224 CO -0.01 0.29 0.00 0.00 -1.64 0.00 0.00 178.16 176.80 2oma n GLN 225 N -4.12 0.08 -2.07 1.82 10.64 -0.80 -4.74 117.38 118.19 2oma n GLN 225 Ca -0.02 0.18 -0.41 0.00 -1.83 0.00 0.00 57.00 54.92 2oma n GLN 225 Cb 0.34 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.21 2oma n GLN 225 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2oma s MET 226 N -2.87 4.32 0.31 2.61 -1.94 -0.67 -4.92 119.30 116.14 2oma s MET 226 Ca 0.11 2.27 0.08 0.00 -1.71 0.00 0.00 55.69 56.43 2oma s MET 226 Cb 0.11 -3.06 0.82 0.00 2.01 0.00 0.00 34.83 34.71 2oma s MET 226 CO 0.30 -0.25 1.74 -0.09 -0.01 0.00 0.00 175.02 176.70 2oma h ARG 227 N 3.51 0.60 -0.25 2.03 9.65 -1.89 -2.99 114.38 125.05 2oma h ARG 227 Ca -0.49 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2oma h ARG 227 Cb 1.23 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2oma h ARG 227 CO 0.67 0.40 0.00 -0.25 2.80 0.00 0.00 179.97 183.58 2oma n ASP 228 N -4.87 3.36 -4.60 -3.80 8.00 -1.26 -4.91 116.55 108.46 2oma n ASP 228 Ca 0.25 -2.65 -0.38 0.00 0.71 0.00 0.00 54.79 52.72 2oma n ASP 228 Cb 0.68 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 41.26 2oma n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oma s ILE 229 N -2.16 5.31 -0.70 0.53 1.01 -1.13 -4.62 121.20 119.43 2oma s ILE 229 Ca 0.33 0.17 0.14 0.00 0.00 0.00 0.00 60.65 61.29 2oma s ILE 229 Cb 0.25 -3.52 0.43 0.00 0.01 0.00 0.00 42.46 39.63 2oma s ILE 229 CO 0.10 0.27 1.36 0.59 0.00 0.00 0.00 174.94 177.26 2oma n ASN 230 N 4.89 3.46 0.00 3.58 4.13 -0.28 -4.84 115.26 126.21 2oma n ASN 230 Ca -0.14 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 53.72 2oma n ASN 230 Cb 0.52 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 2oma n ASN 230 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2oma n GLY 231 N 0.24 0.86 3.02 7.41 0.00 -1.26 -1.57 105.19 113.90 2oma n GLY 231 Ca 0.17 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 2oma n GLY 231 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oma s PHE 232 N -3.20 0.18 -0.31 1.61 0.08 -0.75 -0.14 117.98 115.45 2oma s PHE 232 Ca 0.00 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 2oma s PHE 232 Cb 0.00 -0.14 0.05 0.00 -0.57 0.00 0.00 43.02 42.37 2oma s PHE 232 CO 0.00 -0.21 0.02 -1.17 -0.10 0.00 0.00 175.22 173.76 2oma s LEU 233 N -1.37 4.01 -0.15 -0.37 2.96 -0.40 -0.02 118.68 123.35 2oma s LEU 233 Ca -0.15 -1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 52.33 2oma s LEU 233 Cb -0.09 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2oma s LEU 233 CO -0.00 -0.28 0.22 -0.69 -1.32 0.00 0.00 176.35 174.28 2oma s VAL 234 N 1.25 5.35 0.00 1.68 1.01 0.12 -4.20 120.40 125.61 2oma s VAL 234 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2oma s VAL 234 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2oma s VAL 234 CO -0.01 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2oma n GLY 235 N 2.94 0.84 0.35 4.51 0.00 -1.26 -0.93 105.19 111.64 2oma n GLY 235 Ca -0.15 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2oma n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oma h GLY 236 N 0.00 1.53 2.00 -0.02 0.00 -1.91 -2.84 103.07 101.82 2oma h GLY 236 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2oma h GLY 236 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.76 2oma h ALA 237 N 1.49 1.00 0.00 3.60 0.00 -1.90 -2.76 119.26 120.68 2oma h ALA 237 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2oma h ALA 237 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2oma h ALA 237 CO -0.22 0.00 -0.03 -1.13 0.00 0.00 0.00 179.25 177.87 2oma n SER 238 N -2.89 0.27 -1.73 0.00 3.41 -1.07 -1.82 113.62 109.79 2oma n SER 238 Ca -0.00 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 2oma n SER 238 Cb 0.22 -0.55 0.37 0.00 -0.26 0.00 0.00 64.21 63.99 2oma n SER 238 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2oma n LEU 239 N -1.74 5.20 -4.15 1.04 4.77 -1.04 -4.90 117.00 116.17 2oma n LEU 239 Ca 0.06 -2.63 -0.12 0.00 -0.03 0.00 0.00 56.01 53.29 2oma n LEU 239 Cb 0.37 -0.65 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 2oma n LEU 239 CO 0.28 0.64 -0.40 -0.54 -1.33 0.00 0.00 177.39 176.04 2oma s LYS 240 N -2.45 0.78 0.56 3.23 1.02 -0.76 -5.01 119.74 117.11 2oma s LYS 240 Ca 0.50 -1.15 0.30 0.00 0.02 0.00 0.00 55.97 55.64 2oma s LYS 240 Cb 0.37 -0.35 1.46 0.00 -0.52 0.00 0.00 37.83 38.79 2oma s LYS 240 CO 0.17 0.03 1.87 -1.35 -0.92 0.00 0.00 175.35 175.15 2oma h PRO 241 N 3.49 0.00 0.00 -1.68 0.11 -1.93 -1.17 132.00 130.82 2oma h PRO 241 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2oma h PRO 241 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2oma h PRO 241 CO 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 2oma n GLU 242 N -3.96 0.03 -0.10 1.05 0.28 -1.26 -2.07 120.64 114.60 2oma n GLU 242 Ca 0.14 0.31 0.14 0.00 -0.16 0.00 0.00 57.16 57.59 2oma n GLU 242 Cb 0.85 -1.55 0.53 0.00 1.43 0.00 0.00 31.44 32.69 2oma n GLU 242 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2oma h PHE 243 N 0.00 0.40 -0.74 -1.84 3.57 -1.25 0.43 116.94 117.51 2oma h PHE 243 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 2oma h PHE 243 Cb 0.22 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 2oma h PHE 243 CO 0.00 0.17 0.44 0.28 -2.23 0.00 0.00 178.31 176.97 2oma h VAL 244 N 0.36 1.01 0.00 1.41 2.07 -1.65 0.13 116.25 119.57 2oma h VAL 244 Ca 0.31 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.41 2oma h VAL 244 Cb 0.70 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2oma h VAL 244 CO -0.08 0.15 -0.66 -0.33 0.02 0.00 0.00 177.57 176.67 2oma h GLU 245 N 0.81 0.00 0.06 1.57 3.07 -1.16 -1.58 114.58 117.35 2oma h GLU 245 Ca 0.33 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2oma h GLU 245 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2oma h GLU 245 CO -0.17 0.66 -0.03 0.82 -1.40 0.00 0.00 179.01 178.88 2oma h ILE 246 N 0.00 1.06 -0.36 3.13 2.04 -0.59 -2.11 117.51 120.68 2oma h ILE 246 Ca -0.01 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.52 2oma h ILE 246 Cb 1.30 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 2oma h ILE 246 CO 0.09 0.10 -0.10 0.40 0.00 0.00 0.00 178.15 178.64 2oma h ILE 247 N -0.26 0.62 -0.54 -0.67 2.04 -0.68 -1.92 117.51 116.09 2oma h ILE 247 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 2oma h ILE 247 Cb 0.23 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2oma h ILE 247 CO 0.01 0.00 0.39 -0.33 0.00 0.00 0.00 178.15 178.22 2oma h GLU 248 N -0.02 0.01 0.00 2.37 4.39 -1.16 -2.16 114.58 118.01 2oma h GLU 248 Ca 0.17 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2oma h GLU 248 Cb 0.28 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2oma h GLU 248 CO -0.38 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.47 2oma n ALA 249 N -2.64 2.25 0.57 3.43 0.00 -0.72 -2.51 120.51 120.88 2oma n ALA 249 Ca 0.10 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2oma n ALA 249 Cb 0.61 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.90 2oma n ALA 249 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2oma n THR 250 N -1.03 0.31 1.34 0.00 -2.24 -0.81 -4.53 114.28 107.33 2oma n THR 250 Ca 0.15 -0.66 0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2oma n THR 250 Cb 0.08 1.19 0.64 0.00 -2.10 0.00 0.00 70.33 70.13 2oma n THR 250 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67