#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9g n SER 2 N 0.00 -1.87 -0.00 3.17 7.64 -1.26 -4.97 113.62 116.32 1x9g n SER 2 Ca 0.00 0.77 -0.00 0.00 1.01 0.00 0.00 58.87 60.65 1x9g n SER 2 Cb 0.00 -1.04 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 1x9g n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x9g n ARG 3 N 0.67 2.31 -1.81 1.43 0.63 -1.26 -4.96 116.66 113.67 1x9g n ARG 3 Ca 0.11 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1x9g n ARG 3 Cb 0.44 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.33 1x9g n ARG 3 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x9g n LEU 4 N -1.83 0.00 -4.73 6.15 4.77 -1.26 -5.08 117.00 115.02 1x9g n LEU 4 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1x9g n LEU 4 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1x9g n LEU 4 CO 0.02 0.00 1.23 0.23 -1.33 0.00 0.00 177.39 177.54 1x9g n MET 5 N 0.00 2.62 -1.84 3.23 2.81 -1.26 -5.01 117.12 117.67 1x9g n MET 5 Ca 0.00 0.93 -0.30 0.00 -1.81 0.00 0.00 57.70 56.52 1x9g n MET 5 Cb 0.00 -2.71 0.05 0.00 -0.71 0.00 0.00 33.22 29.85 1x9g n MET 5 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x9g s PRO 6 N -0.29 2.77 0.18 0.03 0.04 -1.26 -4.59 135.00 131.88 1x9g s PRO 6 Ca 0.66 0.50 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 1x9g s PRO 6 Cb -0.52 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 31.85 1x9g s PRO 6 CO 0.47 -1.10 0.85 1.58 0.04 0.00 0.00 177.00 178.83 1x9g n HIS 7 N -3.06 0.45 0.08 0.56 -0.00 -1.26 -4.42 115.22 107.57 1x9g n HIS 7 Ca 0.07 0.86 0.20 0.00 -0.00 0.00 0.00 57.72 58.85 1x9g n HIS 7 Cb 0.57 -2.11 0.65 0.00 -0.00 0.00 0.00 29.99 29.10 1x9g n HIS 7 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1x9g h TYR 8 N 2.05 0.00 -0.01 1.57 -0.00 -1.09 -1.10 116.97 118.40 1x9g h TYR 8 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.36 1x9g h TYR 8 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.13 1x9g h TYR 8 CO 0.48 0.00 -0.30 -1.13 -0.00 0.00 0.00 178.16 177.21 1x9g n SER 9 N -3.39 0.94 -4.43 0.10 3.41 -1.26 -4.67 113.62 104.32 1x9g n SER 9 Ca 0.09 -0.79 -0.44 0.00 -0.26 0.00 0.00 58.87 57.47 1x9g n SER 9 Cb 0.80 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.86 1x9g n SER 9 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1x9g s LYS 10 N -2.58 3.11 2.44 4.33 2.20 -0.42 -4.96 119.74 123.85 1x9g s LYS 10 Ca 0.22 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1x9g s LYS 10 Cb 0.19 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1x9g s LYS 10 CO 0.55 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 1x9g n GLY 11 N 5.27 -0.74 3.16 5.54 0.00 -1.26 -4.88 105.19 112.27 1x9g n GLY 11 Ca -0.06 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 1x9g n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9g s LYS 12 N 0.00 0.78 -0.07 1.61 1.02 -1.26 -4.85 119.74 116.97 1x9g s LYS 12 Ca 0.00 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1x9g s LYS 12 Cb 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1x9g s LYS 12 CO 0.00 0.16 -0.09 0.99 -0.92 0.00 0.00 175.35 175.49 1x9g s THR 13 N -1.33 0.96 -0.18 2.17 2.01 -0.77 -1.42 115.64 117.10 1x9g s THR 13 Ca -0.03 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1x9g s THR 13 Cb -0.10 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1x9g s THR 13 CO 0.02 0.33 0.41 0.00 -0.69 0.00 0.00 174.62 174.68 1x9g s ALA 14 N 0.99 3.54 -0.16 7.40 0.00 0.03 -2.04 121.76 131.53 1x9g s ALA 14 Ca -0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 1x9g s ALA 14 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1x9g s ALA 14 CO -0.00 -0.17 0.89 -0.06 0.00 0.00 0.00 175.76 176.42 1x9g s PHE 15 N 1.03 3.44 -0.25 0.00 2.99 -0.23 -0.85 117.98 124.11 1x9g s PHE 15 Ca 0.20 1.36 0.03 0.00 0.00 0.00 0.00 56.93 58.52 1x9g s PHE 15 Cb -0.15 -3.08 0.06 0.00 0.00 0.00 0.00 43.02 39.85 1x9g s PHE 15 CO 0.08 -0.25 -0.12 -1.17 -0.00 0.00 0.00 175.22 173.76 1x9g s LEU 16 N 2.17 3.30 -0.47 -0.37 2.96 -0.29 -0.17 118.68 125.81 1x9g s LEU 16 Ca 0.41 -1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 1x9g s LEU 16 Cb -0.17 -1.55 0.09 0.00 0.50 0.00 0.00 46.19 45.06 1x9g s LEU 16 CO 0.13 -0.17 0.38 0.00 -1.32 0.00 0.00 176.35 175.37 1x9g s VAL 18 N 1.56 4.83 -1.35 0.00 0.11 -0.28 -2.23 120.40 123.04 1x9g s VAL 18 Ca 0.04 -0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1x9g s VAL 18 Cb -0.25 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1x9g s VAL 18 CO 0.04 -0.01 0.04 0.47 -3.33 0.00 0.00 175.10 172.31 1x9g n ASP 19 N 5.03 -4.74 -3.89 3.54 10.43 -0.97 -2.23 116.55 123.72 1x9g n ASP 19 Ca -0.13 0.08 -0.41 0.00 2.57 0.00 0.00 54.79 56.90 1x9g n ASP 19 Cb 0.49 -3.97 -0.03 0.00 1.84 0.00 0.00 41.12 39.44 1x9g n ASP 19 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1x9g n LEU 20 N -2.96 4.99 -4.78 0.64 4.77 -1.26 -4.76 117.00 113.63 1x9g n LEU 20 Ca -0.18 -3.46 -0.27 0.00 -0.03 0.00 0.00 56.01 52.07 1x9g n LEU 20 Cb 0.64 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1x9g n LEU 20 CO 0.24 0.00 -0.13 -1.10 -1.33 0.00 0.00 177.39 175.07 1x9g s GLN 21 N 4.49 2.22 0.18 3.23 -0.21 -1.26 -2.31 119.66 126.00 1x9g s GLN 21 Ca 0.55 -2.01 -0.08 0.00 0.02 0.00 0.00 55.36 53.83 1x9g s GLN 21 Cb 0.11 -1.91 0.07 0.00 1.00 0.00 0.00 33.01 32.28 1x9g s GLN 21 CO 0.05 -0.30 1.59 1.49 -2.12 0.00 0.00 175.29 176.00 1x9g h GLU 22 N 1.24 0.96 -0.87 2.91 4.57 -1.78 -2.60 114.58 119.02 1x9g h GLU 22 Ca -0.41 -0.38 0.19 0.00 -1.18 0.00 0.00 59.36 57.58 1x9g h GLU 22 Cb 1.28 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 1x9g h GLU 22 CO 0.68 1.05 0.58 0.00 -1.18 0.00 0.00 179.01 180.14 1x9g h ALA 23 N 0.95 2.22 0.00 2.92 0.00 -1.90 -2.89 119.26 120.57 1x9g h ALA 23 Ca 0.12 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1x9g h ALA 23 Cb 0.73 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1x9g h ALA 23 CO 0.06 -0.49 -1.62 0.74 0.00 0.00 0.00 179.25 177.93 1x9g h PHE 24 N 0.38 0.00 -1.37 0.00 -1.00 -1.83 -3.40 116.94 109.71 1x9g h PHE 24 Ca 0.44 0.00 0.47 0.00 2.81 0.00 0.00 57.97 61.69 1x9g h PHE 24 Cb 1.13 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.56 1x9g h PHE 24 CO -0.00 0.99 0.89 -1.13 -1.61 0.00 0.00 178.31 177.45 1x9g n SER 25 N -3.08 0.19 0.01 2.17 3.41 -1.09 0.41 113.62 115.65 1x9g n SER 25 Ca -0.15 1.30 0.09 0.00 -0.26 0.00 0.00 58.87 59.85 1x9g n SER 25 Cb 1.04 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1x9g n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x9g n LYS 26 N -4.57 0.65 0.04 4.33 4.76 -1.26 -4.46 118.16 117.65 1x9g n LYS 26 Ca 0.39 -0.09 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 1x9g n LYS 26 Cb 1.54 -1.60 0.41 0.00 -1.84 0.00 0.00 35.03 33.54 1x9g n LYS 26 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x9g n ARG 27 N -2.42 0.14 -4.17 1.97 1.74 0.17 -4.74 116.66 109.34 1x9g n ARG 27 Ca -0.06 0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1x9g n ARG 27 Cb 0.62 -1.63 -0.17 0.00 -1.02 0.00 0.00 32.46 30.27 1x9g n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x9g s ILE 28 N -3.06 1.34 0.13 0.55 1.01 -1.17 -4.43 121.20 115.56 1x9g s ILE 28 Ca 0.11 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 1x9g s ILE 28 Cb 0.16 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1x9g s ILE 28 CO 0.62 0.42 1.64 -0.08 0.00 0.00 0.00 174.94 177.54 1x9g h GLU 29 N 7.80 -0.32 -0.99 2.79 4.81 -1.85 -2.27 114.58 124.55 1x9g h GLU 29 Ca -0.33 0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.65 1x9g h GLU 29 Cb 1.15 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 30.44 1x9g h GLU 29 CO 0.48 -0.21 0.35 0.27 -0.73 0.00 0.00 179.01 179.16 1x9g n ASN 30 N -5.35 3.44 -0.14 1.04 6.94 -1.26 -4.46 115.26 115.46 1x9g n ASN 30 Ca -0.04 -2.89 0.15 0.00 -0.02 0.00 0.00 54.58 51.79 1x9g n ASN 30 Cb 0.27 -0.69 0.52 0.00 -2.36 0.00 0.00 39.78 37.52 1x9g n ASN 30 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x9g h PHE 31 N 0.67 0.44 -0.10 -2.53 3.57 -1.71 -1.09 116.94 116.19 1x9g h PHE 31 Ca 0.34 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.63 1x9g h PHE 31 Cb 2.02 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 40.63 1x9g h PHE 31 CO 0.89 0.17 -0.83 0.00 -2.23 0.00 0.00 178.31 176.31 1x9g h ALA 32 N 1.66 0.33 -0.53 2.41 0.00 -1.84 -2.04 119.26 119.25 1x9g h ALA 32 Ca 0.35 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1x9g h ALA 32 Cb 0.83 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1x9g h ALA 32 CO -0.10 0.71 0.24 -0.91 0.00 0.00 0.00 179.25 179.18 1x9g h ASN 33 N 0.45 0.67 -0.90 0.00 4.21 -1.56 -0.13 115.58 118.32 1x9g h ASN 33 Ca -0.06 -0.07 0.03 0.00 1.21 0.00 0.00 56.30 57.41 1x9g h ASN 33 Cb 1.45 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 38.43 1x9g h ASN 33 CO 0.16 0.58 0.59 0.00 -1.29 0.00 0.00 177.43 177.47 1x9g h VAL 35 N 1.15 1.23 -0.96 0.00 2.07 -0.63 -1.11 116.25 118.00 1x9g h VAL 35 Ca 0.36 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1x9g h VAL 35 Cb -0.01 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1x9g h VAL 35 CO -0.11 0.29 0.63 0.15 0.02 0.00 0.00 177.57 178.54 1x9g h PHE 36 N 0.70 1.19 -0.06 1.57 3.57 -0.61 0.22 116.94 123.53 1x9g h PHE 36 Ca 0.17 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.45 1x9g h PHE 36 Cb 0.27 -0.40 0.02 0.00 2.79 0.00 0.00 35.95 38.63 1x9g h PHE 36 CO 0.02 0.71 -0.94 0.28 -2.23 0.00 0.00 178.31 176.15 1x9g h VAL 37 N 1.25 1.28 -0.27 1.41 2.07 -1.16 0.88 116.25 121.71 1x9g h VAL 37 Ca 0.37 -2.15 0.04 0.00 0.82 0.00 0.00 66.70 65.78 1x9g h VAL 37 Cb -0.06 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1x9g h VAL 37 CO -0.10 0.67 0.03 0.00 0.02 0.00 0.00 177.57 178.19 1x9g h ALA 38 N 0.49 0.26 0.19 1.67 0.00 -0.73 -0.50 119.26 120.64 1x9g h ALA 38 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x9g h ALA 38 Cb 1.58 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1x9g h ALA 38 CO 0.19 -0.38 -0.10 -0.91 0.00 0.00 0.00 179.25 178.04 1x9g h ASN 39 N 0.12 -0.24 -0.54 0.00 2.35 -0.88 -2.14 115.58 114.25 1x9g h ASN 39 Ca 0.13 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.00 1x9g h ASN 39 Cb 0.15 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.48 1x9g h ASN 39 CO -0.19 -0.17 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.13 1x9g h ARG 40 N -0.27 -0.07 0.00 0.81 2.43 -0.49 0.14 114.38 116.92 1x9g h ARG 40 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1x9g h ARG 40 Cb 0.22 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1x9g h ARG 40 CO 0.04 -0.05 0.00 -0.07 -1.51 0.00 0.00 179.97 178.38 1x9g h LEU 41 N -0.07 0.00 0.02 3.80 -0.00 -1.13 -1.96 115.31 115.97 1x9g h LEU 41 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1x9g h LEU 41 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1x9g h LEU 41 CO -0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 178.44 177.84 1x9g h ALA 42 N 2.14 -0.02 -0.59 1.53 0.00 -0.09 -2.45 119.26 119.78 1x9g h ALA 42 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1x9g h ALA 42 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1x9g h ALA 42 CO 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.27 1x9g h ARG 43 N -0.84 0.93 -0.54 0.00 2.47 -1.13 -2.61 114.38 112.68 1x9g h ARG 43 Ca -0.00 -0.21 0.04 0.00 -1.26 0.00 0.00 59.98 58.54 1x9g h ARG 43 Cb 0.76 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 1x9g h ARG 43 CO 0.00 0.85 0.30 1.25 0.56 0.00 0.00 179.97 182.93 1x9g h LEU 44 N 0.89 0.46 -0.78 3.04 5.85 -1.42 -2.32 115.31 121.02 1x9g h LEU 44 Ca 0.19 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1x9g h LEU 44 Cb 0.35 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1x9g h LEU 44 CO 0.00 0.31 0.00 -0.74 -0.34 0.00 0.00 178.44 177.68 1x9g h HIS 45 N 0.58 1.00 -0.65 1.25 2.76 -1.07 -1.94 115.15 117.08 1x9g h HIS 45 Ca 0.23 -0.15 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1x9g h HIS 45 Cb 0.09 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 1x9g h HIS 45 CO -0.08 0.90 0.43 0.93 -1.30 0.00 0.00 177.93 178.80 1x9g h GLU 46 N 0.85 0.70 -0.80 5.26 5.08 -1.33 -0.95 114.58 123.39 1x9g h GLU 46 Ca 0.16 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1x9g h GLU 46 Cb 0.50 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1x9g h GLU 46 CO 0.02 0.46 0.52 0.28 -1.00 0.00 0.00 179.01 179.30 1x9g h VAL 47 N 0.72 1.14 -2.11 3.13 2.07 -0.80 -3.37 116.25 117.02 1x9g h VAL 47 Ca 0.27 -0.35 -0.54 0.00 0.82 0.00 0.00 66.70 66.89 1x9g h VAL 47 Cb 0.15 0.03 -0.41 0.00 -1.52 0.00 0.00 31.29 29.54 1x9g h VAL 47 CO -0.08 0.19 -0.93 0.52 0.02 0.00 0.00 177.57 177.29 1x9g n VAL 48 N -4.57 1.06 0.20 2.57 0.31 -0.43 -4.97 118.33 112.50 1x9g n VAL 48 Ca 0.09 -4.87 0.12 0.00 -0.01 0.00 0.00 64.34 59.67 1x9g n VAL 48 Cb 0.07 -1.18 0.14 0.00 -0.91 0.00 0.00 33.84 31.96 1x9g n VAL 48 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1x9g h PRO 49 N 3.35 0.00 0.00 5.55 0.14 -1.54 -2.97 132.00 136.53 1x9g h PRO 49 Ca 0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.26 1x9g h PRO 49 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.91 1x9g h PRO 49 CO 0.64 0.00 0.00 0.39 0.14 0.00 0.00 178.00 179.17 1x9g n GLU 50 N -3.02 0.58 0.00 0.86 4.71 -1.26 -3.42 120.64 119.08 1x9g n GLU 50 Ca 0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1x9g n GLU 50 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1x9g n GLU 50 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x9g n ASN 51 N -1.18 0.15 -3.76 1.62 3.02 -1.13 -5.04 115.26 108.95 1x9g n ASN 51 Ca 0.16 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 54.02 1x9g n ASN 51 Cb 0.17 0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 39.95 1x9g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x9g s THR 52 N -0.76 -0.05 0.34 3.41 -4.23 -1.15 -1.84 115.64 111.34 1x9g s THR 52 Ca 0.00 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1x9g s THR 52 Cb 0.00 -0.18 -0.03 0.00 1.34 0.00 0.00 72.50 73.63 1x9g s THR 52 CO 0.00 0.08 0.53 -0.54 -0.54 0.00 0.00 174.62 174.15 1x9g s LYS 53 N 1.14 3.49 -0.06 3.99 1.02 -0.86 -4.67 119.74 123.79 1x9g s LYS 53 Ca -0.09 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1x9g s LYS 53 Cb -0.12 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1x9g s LYS 53 CO -0.05 0.17 -0.11 -0.47 -0.92 0.00 0.00 175.35 173.98 1x9g s TYR 54 N -2.28 1.29 -0.04 3.18 5.04 -1.26 -1.07 117.35 122.21 1x9g s TYR 54 Ca 0.40 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1x9g s TYR 54 Cb -0.10 -0.97 0.02 0.00 0.35 0.00 0.00 41.96 41.26 1x9g s TYR 54 CO 0.35 -0.25 -0.06 0.42 -1.34 0.00 0.00 175.55 174.67 1x9g s ILE 55 N 0.67 0.67 -0.14 3.14 1.01 0.76 -0.73 121.20 126.57 1x9g s ILE 55 Ca -0.13 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1x9g s ILE 55 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1x9g s ILE 55 CO 0.03 0.25 -0.21 -0.69 0.00 0.00 0.00 174.94 174.31 1x9g s VAL 56 N 0.74 2.01 -0.09 2.92 1.01 -1.08 0.11 120.40 126.02 1x9g s VAL 56 Ca -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1x9g s VAL 56 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1x9g s VAL 56 CO 0.01 0.54 0.01 0.42 0.00 0.00 0.00 175.10 176.08 1x9g s THR 57 N 0.82 4.41 -0.09 3.92 -4.23 -0.95 -0.33 115.64 119.19 1x9g s THR 57 Ca -0.07 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1x9g s THR 57 Cb -0.16 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1x9g s THR 57 CO -0.02 0.60 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.87 1x9g s GLU 58 N -0.87 2.94 -0.20 3.99 2.02 0.74 -2.30 118.70 125.02 1x9g s GLU 58 Ca 0.13 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 1x9g s GLU 58 Cb -0.11 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 1x9g s GLU 58 CO 0.02 0.32 0.13 -1.58 0.02 0.00 0.00 175.26 174.18 1x9g s HIS 59 N 0.02 3.42 -0.28 1.61 5.65 -1.26 -1.39 115.29 123.05 1x9g s HIS 59 Ca -0.07 0.34 -0.04 0.00 0.25 0.00 0.00 55.06 55.53 1x9g s HIS 59 Cb -0.15 -2.15 0.01 0.00 -1.18 0.00 0.00 32.58 29.11 1x9g s HIS 59 CO 0.05 0.31 0.18 0.98 -0.65 0.00 0.00 174.74 175.61 1x9g n TYR 60 N 3.45 -0.50 0.29 3.88 4.19 -0.06 -4.85 117.16 123.56 1x9g n TYR 60 Ca -0.16 0.14 -0.18 0.00 3.31 0.00 0.00 57.90 61.01 1x9g n TYR 60 Cb 0.52 -0.78 -0.10 0.00 0.49 0.00 0.00 39.34 39.47 1x9g n TYR 60 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1x9g h PRO 61 N 0.98 -0.97 -0.45 2.98 0.11 -1.80 -3.16 132.00 129.69 1x9g h PRO 61 Ca -0.19 0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.04 1x9g h PRO 61 Cb 0.40 0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.68 1x9g h PRO 61 CO 0.12 -0.65 0.15 -0.22 -0.21 0.00 0.00 178.00 177.19 1x9g h LYS 62 N -1.01 0.30 -5.45 1.05 1.63 -1.89 0.58 116.57 111.78 1x9g h LYS 62 Ca -0.06 -0.02 -0.53 0.00 -0.85 0.00 0.00 60.65 59.19 1x9g h LYS 62 Cb 0.88 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.39 1x9g h LYS 62 CO -0.08 0.20 1.79 0.41 -3.45 0.00 0.00 179.45 178.32 1x9g n GLY 63 N -1.25 2.03 2.52 5.01 0.00 -1.19 -4.24 105.19 108.06 1x9g n GLY 63 Ca 0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 1x9g n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x9g n LEU 64 N 10.79 -6.30 0.00 0.99 4.32 -1.24 -4.95 117.00 120.62 1x9g n LEU 64 Ca 0.47 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 1x9g n LEU 64 Cb 0.45 -2.77 0.00 0.00 -1.62 0.00 0.00 43.42 39.48 1x9g n LEU 64 CO 0.76 -1.63 0.00 0.61 -1.22 0.00 0.00 177.39 175.91 1x9g n GLY 65 N -0.51 3.38 3.88 -0.72 0.00 0.20 -4.41 105.19 107.01 1x9g n GLY 65 Ca 0.08 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 1x9g n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x9g s ARG 66 N -3.23 3.08 -0.81 1.61 3.52 -1.26 -4.10 118.95 117.76 1x9g s ARG 66 Ca 0.00 -0.98 -0.25 0.00 -0.13 0.00 0.00 55.73 54.36 1x9g s ARG 66 Cb 0.00 -2.67 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1x9g s ARG 66 CO 0.00 0.36 2.02 -1.50 -0.81 0.00 0.00 175.30 175.36 1x9g s ILE 67 N -2.11 3.35 0.00 4.11 -1.16 -1.26 -2.54 121.20 121.60 1x9g s ILE 67 Ca 0.35 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.29 1x9g s ILE 67 Cb -0.08 -3.81 0.00 0.00 0.61 0.00 0.00 42.46 39.18 1x9g s ILE 67 CO 0.27 -0.77 0.00 0.52 -2.81 0.00 0.00 174.94 172.15 1x9g n VAL 68 N 7.89 0.00 -0.36 4.00 0.31 -0.98 -4.79 118.33 124.40 1x9g n VAL 68 Ca 0.37 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.74 1x9g n VAL 68 Cb 0.48 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.60 1x9g n VAL 68 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1x9g h PRO 69 N 0.00 1.04 0.00 5.55 0.13 -1.93 -2.35 132.00 134.43 1x9g h PRO 69 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1x9g h PRO 69 Cb 0.00 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 30.90 1x9g h PRO 69 CO 0.00 0.68 0.16 -1.91 -0.23 0.00 0.00 178.00 176.70 1x9g n GLU 70 N -4.57 0.02 -3.04 0.86 4.07 -1.26 -3.93 120.64 112.78 1x9g n GLU 70 Ca 0.16 0.39 -0.43 0.00 -0.06 0.00 0.00 57.16 57.23 1x9g n GLU 70 Cb 0.26 -1.71 -0.06 0.00 -0.06 0.00 0.00 31.44 29.87 1x9g n GLU 70 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1x9g s ILE 71 N -2.81 4.75 -1.02 6.31 1.01 -0.89 -4.95 121.20 123.60 1x9g s ILE 71 Ca -0.00 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 1x9g s ILE 71 Cb 0.01 -4.25 0.13 0.00 0.01 0.00 0.00 42.46 38.35 1x9g s ILE 71 CO 0.02 -0.62 1.26 0.42 0.00 0.00 0.00 174.94 176.02 1x9g s THR 72 N 3.03 4.66 0.42 2.92 -4.23 -1.25 -5.01 115.64 116.17 1x9g s THR 72 Ca 0.26 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.84 1x9g s THR 72 Cb -0.13 -4.86 -0.13 0.00 1.34 0.00 0.00 72.50 68.72 1x9g s THR 72 CO 0.20 -1.61 0.57 0.18 -0.54 0.00 0.00 174.62 173.42 1x9g n LEU 73 N 6.75 0.11 -4.78 4.79 7.99 -1.26 -4.93 117.00 125.67 1x9g n LEU 73 Ca 0.29 0.92 -0.33 0.00 -0.01 0.00 0.00 56.01 56.88 1x9g n LEU 73 Cb 0.48 -1.12 0.02 0.00 -0.11 0.00 0.00 43.42 42.69 1x9g n LEU 73 CO 0.56 -2.80 0.74 -2.84 -1.51 0.00 0.00 177.39 171.54 1x9g s PRO 74 N -1.59 3.12 0.46 3.23 0.02 -1.26 -4.94 135.00 134.04 1x9g s PRO 74 Ca 0.63 1.38 0.15 0.00 0.02 0.00 0.00 61.00 63.18 1x9g s PRO 74 Cb -0.61 -1.99 1.04 0.00 0.02 0.00 0.00 34.50 32.96 1x9g s PRO 74 CO 0.58 -0.99 2.02 0.87 -0.33 0.00 0.00 177.00 179.14 1x9g h LYS 75 N 0.49 0.00 0.00 5.54 1.79 -1.99 -2.17 116.57 120.23 1x9g h LYS 75 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1x9g h LYS 75 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1x9g h LYS 75 CO 0.56 0.16 0.00 0.25 -1.08 0.00 0.00 179.45 179.33 1x9g n THR 76 N -4.35 0.29 -1.70 -0.16 -2.24 -1.26 -4.95 114.28 99.92 1x9g n THR 76 Ca -0.03 0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1x9g n THR 76 Cb 0.22 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 1x9g n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x9g n ALA 77 N -1.25 1.44 -3.35 6.98 0.00 -0.82 -4.75 120.51 118.76 1x9g n ALA 77 Ca 0.11 0.38 -0.46 0.00 0.00 0.00 0.00 53.44 53.47 1x9g n ALA 77 Cb 0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 1x9g n ALA 77 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1x9g s HIS 78 N -0.46 3.68 -0.13 0.00 3.76 0.09 -4.99 115.29 117.24 1x9g s HIS 78 Ca 0.62 -1.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.35 1x9g s HIS 78 Cb -0.59 -3.78 -0.03 0.00 1.11 0.00 0.00 32.58 29.30 1x9g s HIS 78 CO 0.54 -0.99 0.75 -1.17 -0.85 0.00 0.00 174.74 173.03 1x9g s LEU 79 N 0.34 4.23 0.09 0.89 2.96 -1.26 -2.64 118.68 123.29 1x9g s LEU 79 Ca 0.16 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1x9g s LEU 79 Cb -0.13 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1x9g s LEU 79 CO -0.07 -0.26 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.18 1x9g s ILE 80 N 1.55 0.27 0.04 6.68 -1.16 0.55 -4.96 121.20 124.17 1x9g s ILE 80 Ca 0.37 -1.86 0.04 0.00 -0.51 0.00 0.00 60.65 58.68 1x9g s ILE 80 Cb -0.17 -1.73 -0.02 0.00 0.61 0.00 0.00 42.46 41.15 1x9g s ILE 80 CO 0.15 -0.80 -0.11 -1.61 -2.81 0.00 0.00 174.94 169.76 1x9g s GLU 81 N -3.95 0.70 0.28 3.50 2.02 -1.26 -0.19 118.70 119.80 1x9g s GLU 81 Ca 0.14 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 54.17 1x9g s GLU 81 Cb 0.07 -0.61 0.06 0.00 0.10 0.00 0.00 34.13 33.75 1x9g s GLU 81 CO -0.05 0.14 0.88 -1.59 0.02 0.00 0.00 175.26 174.65 1x9g s LYS 82 N -1.37 1.75 0.00 1.61 0.00 -0.49 -4.93 119.74 116.32 1x9g s LYS 82 Ca -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 55.97 54.85 1x9g s LYS 82 Cb -0.09 0.52 0.00 0.00 0.00 0.00 0.00 37.83 38.26 1x9g s LYS 82 CO 0.01 -0.82 0.00 0.25 0.00 0.00 0.00 175.35 174.79 1x9g n THR 83 N -0.56 0.00 -1.60 3.79 -2.24 -1.26 -0.88 114.28 111.53 1x9g n THR 83 Ca -0.06 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.24 1x9g n THR 83 Cb 0.60 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1x9g n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1x9g n ARG 84 N -1.63 1.40 -0.14 -0.78 0.63 -1.26 -4.89 116.66 109.98 1x9g n ARG 84 Ca 0.00 0.50 -0.11 0.00 -0.92 0.00 0.00 57.85 57.32 1x9g n ARG 84 Cb 0.14 -2.06 -0.01 0.00 0.45 0.00 0.00 32.46 30.98 1x9g n ARG 84 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1x9g h PHE 85 N 3.81 0.84 -3.49 -0.14 0.05 -1.95 -3.41 116.94 112.64 1x9g h PHE 85 Ca -0.44 -0.16 -0.52 0.00 3.82 0.00 0.00 57.97 60.67 1x9g h PHE 85 Cb 1.32 -0.21 0.01 0.00 2.00 0.00 0.00 35.95 39.07 1x9g h PHE 85 CO 0.56 0.85 0.54 0.45 -0.18 0.00 0.00 178.31 180.52 1x9g s SER 86 N -6.30 7.13 0.66 2.17 0.15 -1.26 -4.20 113.70 112.04 1x9g s SER 86 Ca -0.13 2.19 0.32 0.00 0.70 0.00 0.00 55.95 59.03 1x9g s SER 86 Cb 0.10 -2.60 1.77 0.00 -1.71 0.00 0.00 66.02 63.57 1x9g s SER 86 CO 0.81 -0.34 2.01 0.00 1.20 0.00 0.00 173.24 176.92 1x9g s VAL 88 N -4.18 3.84 0.27 0.00 1.01 -1.26 -4.73 120.40 115.34 1x9g s VAL 88 Ca -0.04 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 60.82 1x9g s VAL 88 Cb 0.10 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1x9g s VAL 88 CO 0.33 -1.60 0.06 0.68 0.00 0.00 0.00 175.10 174.58 1x9g s VAL 89 N 6.92 3.72 0.26 2.92 -7.23 -1.26 -4.97 120.40 120.76 1x9g s VAL 89 Ca 0.58 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1x9g s VAL 89 Cb 0.01 -3.01 0.39 0.00 0.56 0.00 0.00 36.38 34.33 1x9g s VAL 89 CO 0.04 -0.36 1.38 -2.65 -0.31 0.00 0.00 175.10 173.20 1x9g n PRO 90 N -0.99 -0.08 -0.08 4.82 -0.02 -1.26 -1.05 135.00 136.34 1x9g n PRO 90 Ca -0.07 1.36 -0.07 0.00 -2.02 0.00 0.00 63.50 62.70 1x9g n PRO 90 Cb 0.59 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1x9g n PRO 90 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1x9g h GLN 91 N 0.00 0.17 -0.00 -0.52 4.20 -1.96 -2.96 115.11 114.03 1x9g h GLN 91 Ca 0.46 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 59.01 1x9g h GLN 91 Cb 0.81 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1x9g h GLN 91 CO -0.88 0.11 -0.72 -0.39 -0.67 0.00 0.00 178.83 176.28 1x9g h VAL 92 N 0.18 1.50 0.13 -0.54 -1.51 -1.38 -3.01 116.25 111.62 1x9g h VAL 92 Ca 0.14 -2.44 0.02 0.00 -1.23 0.00 0.00 66.70 63.19 1x9g h VAL 92 Cb 0.14 2.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.59 1x9g h VAL 92 CO -0.18 0.70 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.29 1x9g h GLU 93 N 0.02 -0.43 -0.07 5.19 5.08 -1.16 -2.03 114.58 121.18 1x9g h GLU 93 Ca -0.01 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1x9g h GLU 93 Cb 1.28 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1x9g h GLU 93 CO 0.10 -0.29 -0.24 1.05 -1.00 0.00 0.00 179.01 178.63 1x9g h GLU 94 N -0.45 0.12 0.00 2.33 4.11 -1.58 -1.16 114.58 117.95 1x9g h GLU 94 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1x9g h GLU 94 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1x9g h GLU 94 CO -0.13 0.36 0.00 -0.11 0.07 0.00 0.00 179.01 179.20 1x9g n LEU 95 N -4.21 0.00 0.00 3.06 7.94 -0.89 -1.85 117.00 121.05 1x9g n LEU 95 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1x9g n LEU 95 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1x9g n LEU 95 CO 0.38 0.00 0.37 0.18 -1.11 0.00 0.00 177.39 177.21 1x9g n LEU 96 N -0.92 1.34 0.13 -1.96 4.77 -0.47 -4.78 117.00 115.10 1x9g n LEU 96 Ca 0.14 -1.34 0.17 0.00 -0.03 0.00 0.00 56.01 54.95 1x9g n LEU 96 Cb 0.06 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.89 1x9g n LEU 96 CO 0.11 0.33 1.15 -0.33 -1.33 0.00 0.00 177.39 177.32 1x9g h GLU 97 N 0.00 0.00 0.00 3.23 5.08 -1.00 -2.71 114.58 119.18 1x9g h GLU 97 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x9g h GLU 97 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1x9g h GLU 97 CO 0.00 0.00 -0.23 -0.40 -1.00 0.00 0.00 179.01 177.38 1x9g n ASP 98 N -4.18 1.93 -4.59 1.42 5.75 -1.26 -5.04 116.55 110.58 1x9g n ASP 98 Ca 0.04 -3.21 -0.34 0.00 -0.01 0.00 0.00 54.79 51.27 1x9g n ASP 98 Cb 0.40 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.94 1x9g n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x9g s VAL 99 N -2.66 4.12 -0.14 2.12 1.01 -1.03 -4.53 120.40 119.29 1x9g s VAL 99 Ca 0.31 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.09 1x9g s VAL 99 Cb 0.29 -2.77 -0.23 0.00 0.00 0.00 0.00 36.38 33.67 1x9g s VAL 99 CO -0.01 0.54 0.28 0.47 0.00 0.00 0.00 175.10 176.38 1x9g n ASP 100 N 2.90 1.03 -4.11 3.32 9.92 -0.50 -4.93 116.55 124.18 1x9g n ASP 100 Ca -0.18 0.16 -0.23 0.00 -0.53 0.00 0.00 54.79 54.01 1x9g n ASP 100 Cb 0.53 0.05 -0.15 0.00 -0.64 0.00 0.00 41.12 40.90 1x9g n ASP 100 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1x9g s ASN 101 N -6.16 1.70 -0.10 -2.24 -0.87 -0.97 -1.45 114.94 104.85 1x9g s ASN 101 Ca -0.15 -0.26 0.03 0.00 -1.57 0.00 0.00 52.86 50.91 1x9g s ASN 101 Cb 0.07 -0.24 0.01 0.00 -0.02 0.00 0.00 41.25 41.07 1x9g s ASN 101 CO 0.78 0.17 -0.20 0.00 -2.57 0.00 0.00 177.10 175.27 1x9g s ALA 102 N -0.25 1.92 -0.35 0.60 0.00 0.06 -0.79 121.76 122.95 1x9g s ALA 102 Ca 0.04 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1x9g s ALA 102 Cb -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1x9g s ALA 102 CO -0.00 0.16 0.19 0.08 0.00 0.00 0.00 175.76 176.19 1x9g s VAL 103 N 0.56 4.67 -0.15 0.00 1.01 -0.03 -0.70 120.40 125.76 1x9g s VAL 103 Ca -0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1x9g s VAL 103 Cb -0.17 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1x9g s VAL 103 CO 0.05 -0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.27 1x9g s VAL 104 N 1.60 3.27 0.10 2.92 1.01 -0.41 -1.14 120.40 127.74 1x9g s VAL 104 Ca 0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1x9g s VAL 104 Cb -0.18 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1x9g s VAL 104 CO 0.07 0.50 0.24 0.72 0.00 0.00 0.00 175.10 176.63 1x9g s PHE 105 N 0.51 0.07 -0.61 5.22 -0.12 -0.88 -4.06 117.98 118.11 1x9g s PHE 105 Ca -0.07 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.34 1x9g s PHE 105 Cb -0.15 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.25 1x9g s PHE 105 CO 0.04 -0.58 0.00 0.41 -0.05 0.00 0.00 175.22 175.04 1x9g n GLY 106 N -0.08 0.32 2.94 1.99 0.00 0.16 -1.12 105.19 109.39 1x9g n GLY 106 Ca -0.15 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1x9g n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1x9g s ILE 107 N -0.52 0.16 -0.07 -0.61 1.10 -0.95 -2.80 121.20 117.52 1x9g s ILE 107 Ca 0.00 -0.43 -0.02 0.00 -0.51 0.00 0.00 60.65 59.69 1x9g s ILE 107 Cb 0.00 -0.21 -0.04 0.00 0.15 0.00 0.00 42.46 42.37 1x9g s ILE 107 CO 0.00 -0.17 0.05 -1.61 -2.11 0.00 0.00 174.94 171.10 1x9g s GLU 108 N -0.63 3.09 0.32 3.50 2.02 -1.26 -4.39 118.70 121.34 1x9g s GLU 108 Ca -0.06 -0.38 0.09 0.00 0.02 0.00 0.00 54.97 54.64 1x9g s GLU 108 Cb -0.04 -2.88 0.92 0.00 0.10 0.00 0.00 34.13 32.22 1x9g s GLU 108 CO -0.00 0.70 1.65 0.78 0.02 0.00 0.00 175.26 178.41 1x9g h GLY 109 N 4.82 1.75 -1.50 -1.39 0.00 -1.49 -0.35 103.07 104.91 1x9g h GLY 109 Ca -0.51 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1x9g h GLY 109 CO 0.57 -0.45 0.00 -2.39 0.00 0.00 0.00 176.54 174.28 1x9g n HIS 110 N -5.14 0.13 0.00 5.60 1.44 -1.26 -2.21 115.22 113.77 1x9g n HIS 110 Ca 0.27 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1x9g n HIS 110 Cb 0.85 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.96 1x9g n HIS 110 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x9g n ALA 111 N 0.96 0.00 -0.21 1.59 0.00 -0.20 -4.72 120.51 117.93 1x9g n ALA 111 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1x9g n ALA 111 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.03 1x9g n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9g h ILE 113 N 0.66 0.49 -0.14 0.00 1.08 -1.62 0.14 117.51 118.12 1x9g h ILE 113 Ca 0.26 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.72 1x9g h ILE 113 Cb 0.11 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 1x9g h ILE 113 CO -0.15 0.01 -0.30 0.25 -0.69 0.00 0.00 178.15 177.27 1x9g h LEU 114 N -0.73 -0.95 -0.90 1.44 5.85 -1.36 -0.39 115.31 118.27 1x9g h LEU 114 Ca -0.07 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1x9g h LEU 114 Cb 0.55 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1x9g h LEU 114 CO 0.12 -0.34 0.43 1.56 -0.34 0.00 0.00 178.44 179.86 1x9g h GLN 115 N -0.37 1.21 -0.11 1.25 4.20 -1.22 -2.35 115.11 117.73 1x9g h GLN 115 Ca 0.10 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1x9g h GLN 115 Cb 0.53 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1x9g h GLN 115 CO -0.35 0.91 -0.01 1.15 -0.67 0.00 0.00 178.83 179.86 1x9g h THR 116 N 1.20 0.91 -0.49 -0.54 2.02 -0.20 -2.33 112.91 113.48 1x9g h THR 116 Ca 0.29 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 1x9g h THR 116 Cb 0.09 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1x9g h THR 116 CO -0.04 0.00 -0.12 -0.37 0.37 0.00 0.00 175.52 175.36 1x9g h VAL 117 N 0.02 1.27 -0.94 3.16 -1.51 -0.86 -1.16 116.25 116.23 1x9g h VAL 117 Ca 0.05 -1.25 0.03 0.00 -1.23 0.00 0.00 66.70 64.30 1x9g h VAL 117 Cb 0.07 1.02 -0.05 0.00 -2.13 0.00 0.00 31.29 30.19 1x9g h VAL 117 CO -0.10 0.43 0.62 0.00 -1.23 0.00 0.00 177.57 177.30 1x9g h ALA 118 N 1.03 1.38 0.03 5.19 0.00 -1.31 -0.51 119.26 125.06 1x9g h ALA 118 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1x9g h ALA 118 Cb 0.66 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x9g h ALA 118 CO 0.05 0.55 -0.01 -0.44 0.00 0.00 0.00 179.25 179.39 1x9g h ASP 119 N 1.21 -0.03 -0.77 0.00 3.45 -1.10 -1.79 116.42 117.40 1x9g h ASP 119 Ca 0.36 -0.26 0.18 0.00 0.43 0.00 0.00 57.03 57.74 1x9g h ASP 119 Cb -0.04 0.01 -0.12 0.00 -0.56 0.00 0.00 39.33 38.62 1x9g h ASP 119 CO -0.10 0.24 0.16 -0.07 -1.57 0.00 0.00 179.24 177.90 1x9g h LEU 120 N -0.30 -0.04 -0.41 1.55 4.07 -1.06 -1.26 115.31 117.85 1x9g h LEU 120 Ca -0.00 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1x9g h LEU 120 Cb 0.29 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1x9g h LEU 120 CO 0.01 -0.08 0.16 -0.07 -1.08 0.00 0.00 178.44 177.38 1x9g h LEU 121 N 0.23 0.57 -2.35 1.67 3.38 -0.82 -0.71 115.31 117.28 1x9g h LEU 121 Ca 0.44 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1x9g h LEU 121 Cb 0.79 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x9g h LEU 121 CO -0.56 0.59 0.18 0.44 0.09 0.00 0.00 178.44 179.17 1x9g h ASP 122 N 0.53 0.00 -0.14 -0.43 5.19 -0.74 -1.11 116.42 119.71 1x9g h ASP 122 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1x9g h ASP 122 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1x9g h ASP 122 CO -0.01 0.00 0.00 0.23 -3.12 0.00 0.00 179.24 176.34 1x9g n MET 123 N -3.46 1.60 -1.99 3.56 2.81 -0.30 -4.94 117.12 114.41 1x9g n MET 123 Ca -0.00 -0.91 -0.18 0.00 -1.81 0.00 0.00 57.70 54.80 1x9g n MET 123 Cb 0.28 -1.37 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 1x9g n MET 123 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1x9g n ASN 124 N 0.14 -5.18 -4.87 7.83 3.02 -0.42 -5.04 115.26 110.75 1x9g n ASN 124 Ca 0.15 0.18 -0.31 0.00 -0.03 0.00 0.00 54.58 54.57 1x9g n ASN 124 Cb 0.28 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.15 1x9g n ASN 124 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x9g s LYS 125 N -4.30 3.86 0.03 3.52 3.01 -1.04 -5.02 119.74 119.79 1x9g s LYS 125 Ca 0.00 0.50 -0.27 0.00 -1.01 0.00 0.00 55.97 55.18 1x9g s LYS 125 Cb 0.00 -2.45 -0.04 0.00 -1.01 0.00 0.00 37.83 34.32 1x9g s LYS 125 CO 0.00 0.10 0.87 1.03 0.51 0.00 0.00 175.35 177.86 1x9g s ARG 126 N -3.36 4.55 -0.10 1.68 0.52 -0.53 -4.55 118.95 117.17 1x9g s ARG 126 Ca 0.51 1.23 -0.01 0.00 -0.52 0.00 0.00 55.73 56.95 1x9g s ARG 126 Cb -0.10 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1x9g s ARG 126 CO 0.24 0.12 -0.06 0.54 0.02 0.00 0.00 175.30 176.16 1x9g s VAL 127 N 0.44 3.72 -0.05 3.52 0.11 0.90 -0.76 120.40 128.29 1x9g s VAL 127 Ca 0.44 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1x9g s VAL 127 Cb -0.21 -2.56 0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1x9g s VAL 127 CO 0.25 0.57 -0.11 -0.36 -3.33 0.00 0.00 175.10 172.12 1x9g s PHE 128 N -0.42 1.23 -0.09 1.54 0.40 0.13 -0.61 117.98 120.15 1x9g s PHE 128 Ca 0.06 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1x9g s PHE 128 Cb -0.12 -0.90 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1x9g s PHE 128 CO 0.02 -0.19 -0.04 -0.51 0.70 0.00 0.00 175.22 175.20 1x9g s LEU 129 N 0.47 0.89 -0.45 -0.37 1.43 -0.21 -1.29 118.68 119.14 1x9g s LEU 129 Ca -0.09 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 1x9g s LEU 129 Cb -0.13 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.48 1x9g s LEU 129 CO 0.02 -0.16 0.96 -2.16 0.23 0.00 0.00 176.35 175.24 1x9g s PRO 130 N 1.84 3.60 0.43 1.29 0.04 -1.26 -1.42 135.00 139.53 1x9g s PRO 130 Ca 0.05 0.28 0.13 0.00 0.04 0.00 0.00 61.00 61.50 1x9g s PRO 130 Cb -0.12 -3.91 1.00 0.00 0.04 0.00 0.00 34.50 31.50 1x9g s PRO 130 CO -0.07 -1.22 1.98 -0.22 0.04 0.00 0.00 177.00 177.52 1x9g h LYS 131 N 9.03 0.43 -0.22 4.56 3.64 -1.61 0.14 116.57 132.54 1x9g h LYS 131 Ca -0.24 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1x9g h LYS 131 Cb 1.07 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1x9g h LYS 131 CO 1.04 0.28 -0.06 -3.47 -2.27 0.00 0.00 179.45 174.97 1x9g n ASP 132 N -4.47 -0.09 -1.43 4.20 2.03 -1.26 -2.60 116.55 112.93 1x9g n ASP 132 Ca 0.09 0.38 -0.12 0.00 0.52 0.00 0.00 54.79 55.67 1x9g n ASP 132 Cb 0.34 -0.11 0.11 0.00 -0.72 0.00 0.00 41.12 40.74 1x9g n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x9g n GLY 133 N -1.13 5.78 3.40 0.27 0.00 0.49 -4.25 105.19 109.75 1x9g n GLY 133 Ca 0.03 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 1x9g n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x9g s LEU 134 N -3.44 2.40 0.15 0.99 1.43 -1.07 0.40 118.68 119.53 1x9g s LEU 134 Ca 0.46 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1x9g s LEU 134 Cb 0.40 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 45.54 1x9g s LEU 134 CO -0.01 0.12 0.71 -0.83 0.23 0.00 0.00 176.35 176.58 1x9g s GLY 135 N -2.48 -0.46 0.08 -3.19 0.00 -1.12 -4.88 107.32 95.28 1x9g s GLY 135 Ca 0.18 0.41 -0.00 0.00 0.00 0.00 0.00 44.72 45.31 1x9g s GLY 135 CO 0.08 0.14 -0.03 -0.56 0.00 0.00 0.00 173.10 172.73 1x9g s SER 136 N -2.74 0.71 0.18 1.64 0.01 -1.26 -1.46 113.70 110.77 1x9g s SER 136 Ca 0.05 -1.04 -0.12 0.00 1.31 0.00 0.00 55.95 56.15 1x9g s SER 136 Cb -0.02 0.18 0.10 0.00 0.21 0.00 0.00 66.02 66.48 1x9g s SER 136 CO -0.07 -0.57 1.79 1.56 0.41 0.00 0.00 173.24 176.35 1x9g h GLN 137 N 3.03 0.89 -6.11 12.44 4.20 -1.98 -3.42 115.11 124.16 1x9g h GLN 137 Ca -0.35 -0.11 -0.68 0.00 0.06 0.00 0.00 58.65 57.57 1x9g h GLN 137 Cb 1.16 -0.17 -0.25 0.00 0.30 0.00 0.00 27.48 28.52 1x9g h GLN 137 CO 0.65 0.69 -0.78 0.15 -0.67 0.00 0.00 178.83 178.86 1x9g s LYS 138 N -5.80 2.67 0.23 1.46 -0.14 -1.26 -4.79 119.74 112.10 1x9g s LYS 138 Ca -0.13 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 53.64 1x9g s LYS 138 Cb 0.13 -2.40 0.29 0.00 -1.68 0.00 0.00 37.83 34.17 1x9g s LYS 138 CO 0.78 0.52 1.61 0.87 -0.76 0.00 0.00 175.35 178.38 1x9g h LYS 139 N 5.67 0.00 -0.71 1.68 1.57 -2.00 -2.53 116.57 120.26 1x9g h LYS 139 Ca -0.41 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1x9g h LYS 139 Cb 1.16 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1x9g h LYS 139 CO 0.51 0.00 0.40 1.15 -0.57 0.00 0.00 179.45 180.94 1x9g h THR 140 N 0.00 1.21 -0.40 -0.16 2.02 -1.99 0.32 112.91 113.92 1x9g h THR 140 Ca 0.34 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1x9g h THR 140 Cb 0.52 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1x9g h THR 140 CO -0.74 0.23 0.03 0.44 0.37 0.00 0.00 175.52 175.85 1x9g h ASP 141 N 0.97 0.67 0.75 4.18 3.32 -1.94 -2.88 116.42 121.48 1x9g h ASP 141 Ca 0.25 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1x9g h ASP 141 Cb 0.01 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1x9g h ASP 141 CO -0.04 0.79 -0.36 0.15 -1.72 0.00 0.00 179.24 178.06 1x9g h PHE 142 N 0.53 -0.93 -0.96 4.55 3.04 -0.88 -2.53 116.94 119.77 1x9g h PHE 142 Ca 0.12 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.18 1x9g h PHE 142 Cb 0.43 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 39.17 1x9g h PHE 142 CO 0.03 -0.56 0.61 0.87 -2.02 0.00 0.00 178.31 177.24 1x9g h LYS 143 N -1.19 0.82 -0.14 1.11 1.57 -0.47 -0.01 116.57 118.26 1x9g h LYS 143 Ca -0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1x9g h LYS 143 Cb 0.79 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1x9g h LYS 143 CO 0.17 0.54 -0.14 0.00 -0.57 0.00 0.00 179.45 179.45 1x9g h ALA 144 N 1.58 0.20 -0.63 3.86 0.00 -1.54 -2.60 119.26 120.12 1x9g h ALA 144 Ca 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1x9g h ALA 144 Cb 0.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1x9g h ALA 144 CO -0.26 0.08 0.34 0.00 0.00 0.00 0.00 179.25 179.42 1x9g h ALA 145 N 0.60 0.81 -0.26 0.00 0.00 -0.83 -1.36 119.26 118.22 1x9g h ALA 145 Ca 0.02 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1x9g h ALA 145 Cb 0.68 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1x9g h ALA 145 CO 0.04 0.34 -0.03 0.82 0.00 0.00 0.00 179.25 180.41 1x9g h ILE 146 N 0.86 0.77 -0.34 0.00 1.08 -1.07 -1.22 117.51 117.60 1x9g h ILE 146 Ca 0.22 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1x9g h ILE 146 Cb 0.06 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1x9g h ILE 146 CO -0.03 0.01 0.22 0.11 -0.69 0.00 0.00 178.15 177.76 1x9g h LYS 147 N 0.04 0.46 -0.11 2.37 1.79 -1.33 -1.42 116.57 118.37 1x9g h LYS 147 Ca 0.13 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1x9g h LYS 147 Cb 0.18 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 1x9g h LYS 147 CO -0.24 0.33 -0.36 1.25 -1.08 0.00 0.00 179.45 179.34 1x9g h LEU 148 N 0.45 -1.12 -1.31 2.94 6.46 -0.95 -2.76 115.31 119.03 1x9g h LEU 148 Ca 0.12 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1x9g h LEU 148 Cb -0.02 0.46 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1x9g h LEU 148 CO -0.03 -0.39 0.31 0.24 -0.62 0.00 0.00 178.44 177.95 1x9g h MET 149 N -0.45 0.78 -0.09 1.25 2.86 -1.06 -1.22 114.93 116.99 1x9g h MET 149 Ca 0.08 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1x9g h MET 149 Cb 0.59 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1x9g h MET 149 CO -0.36 0.58 0.21 0.77 1.06 0.00 0.00 176.91 179.17 1x9g h SER 150 N 0.79 0.00 -0.31 1.22 0.02 -0.96 -1.07 113.55 113.24 1x9g h SER 150 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1x9g h SER 150 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1x9g h SER 150 CO -0.03 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.12 1x9g n SER 151 N -3.33 2.20 -2.03 3.07 3.41 -0.46 -4.32 113.62 112.17 1x9g n SER 151 Ca -0.00 -1.87 -0.07 0.00 -0.26 0.00 0.00 58.87 56.67 1x9g n SER 151 Cb 0.30 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.35 1x9g n SER 151 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1x9g n TRP 152 N 0.68 2.49 -1.47 7.33 8.01 -0.40 -5.00 117.44 129.08 1x9g n TRP 152 Ca 0.16 -1.21 -0.29 0.00 -1.31 0.00 0.00 57.50 54.85 1x9g n TRP 152 Cb 0.39 -0.70 0.13 0.00 -2.01 0.00 0.00 31.31 29.12 1x9g n TRP 152 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1x9g s GLY 153 N -0.98 1.59 0.00 6.99 0.00 -1.26 -3.04 107.32 110.62 1x9g s GLY 153 Ca 0.55 -0.40 0.28 0.00 0.00 0.00 0.00 44.72 45.15 1x9g s GLY 153 CO 0.13 0.13 1.84 -1.55 0.00 0.00 0.00 173.10 173.66 1x9g n PRO 154 N -3.75 0.20 -0.14 2.90 -0.04 -1.26 -4.80 135.00 128.11 1x9g n PRO 154 Ca 0.06 -0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1x9g n PRO 154 Cb 0.58 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.83 1x9g n PRO 154 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x9g n ASN 155 N -1.36 2.38 -4.12 3.54 5.03 -1.25 -4.79 115.26 114.68 1x9g n ASN 155 Ca 0.09 -1.85 -0.27 0.00 0.87 0.00 0.00 54.58 53.42 1x9g n ASN 155 Cb 0.31 -0.19 -0.16 0.00 -1.02 0.00 0.00 39.78 38.72 1x9g n ASN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x9g s GLU 157 N 0.28 -0.03 -0.28 0.00 2.02 0.22 -4.26 118.70 116.65 1x9g s GLU 157 Ca -0.10 0.27 -0.09 0.00 0.02 0.00 0.00 54.97 55.07 1x9g s GLU 157 Cb -0.14 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.78 1x9g s GLU 157 CO 0.04 -0.21 0.12 0.42 0.02 0.00 0.00 175.26 175.65 1x9g s ILE 158 N 1.36 4.50 0.00 -1.63 1.01 -1.26 -1.05 121.20 124.13 1x9g s ILE 158 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1x9g s ILE 158 Cb -0.13 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1x9g s ILE 158 CO -0.04 0.20 0.00 0.35 0.00 0.00 0.00 174.94 175.45 1x9g n THR 159 N 4.96 0.00 -4.03 2.92 -2.24 -0.50 -4.96 114.28 110.43 1x9g n THR 159 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1x9g n THR 159 Cb 0.50 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1x9g n THR 159 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x9g s THR 160 N 3.55 0.01 0.34 4.28 -4.23 -1.26 -1.51 115.64 116.82 1x9g s THR 160 Ca 0.00 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1x9g s THR 160 Cb 0.00 -2.21 0.19 0.00 1.34 0.00 0.00 72.50 71.82 1x9g s THR 160 CO 0.00 -0.04 1.92 0.77 -0.54 0.00 0.00 174.62 176.73 1x9g h SER 161 N 2.37 0.58 -0.20 3.99 4.64 -1.91 -0.28 113.55 122.74 1x9g h SER 161 Ca -0.29 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 1x9g h SER 161 Cb 1.25 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1x9g h SER 161 CO 0.41 0.56 -0.25 -0.08 -0.87 0.00 0.00 176.83 176.60 1x9g h GLU 162 N 0.62 0.52 -0.47 4.77 4.81 -2.00 -1.30 114.58 121.53 1x9g h GLU 162 Ca 0.15 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1x9g h GLU 162 Cb 0.20 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1x9g h GLU 162 CO -0.01 0.88 0.11 1.03 -0.73 0.00 0.00 179.01 180.30 1x9g h SER 163 N 0.19 0.05 -0.52 1.04 0.87 -1.90 -2.70 113.55 110.58 1x9g h SER 163 Ca 0.03 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1x9g h SER 163 Cb 0.81 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1x9g h SER 163 CO 0.06 0.06 0.16 0.40 -0.53 0.00 0.00 176.83 176.98 1x9g h ILE 164 N 0.25 1.23 -0.33 2.23 2.04 -0.97 -2.36 117.51 119.60 1x9g h ILE 164 Ca 0.23 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1x9g h ILE 164 Cb 0.28 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1x9g h ILE 164 CO -0.28 0.29 0.16 -0.07 0.00 0.00 0.00 178.15 178.24 1x9g h LEU 165 N 0.71 0.23 -2.52 1.44 3.38 -0.99 -2.40 115.31 115.16 1x9g h LEU 165 Ca 0.17 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1x9g h LEU 165 Cb 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x9g h LEU 165 CO -0.01 0.17 -0.02 -0.07 0.09 0.00 0.00 178.44 178.61 1x9g h LEU 166 N 0.33 0.00 0.06 1.67 3.38 -1.45 -2.83 115.31 116.47 1x9g h LEU 166 Ca 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.83 1x9g h LEU 166 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1x9g h LEU 166 CO -0.10 0.02 -1.43 1.56 0.09 0.00 0.00 178.44 178.57 1x9g h GLN 167 N 0.00 0.12 0.00 1.13 4.20 -0.93 -3.31 115.11 116.33 1x9g h GLN 167 Ca -0.00 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1x9g h GLN 167 Cb 0.08 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1x9g h GLN 167 CO 0.00 0.94 -0.51 0.52 -0.67 0.00 0.00 178.83 179.11 1x9g h MET 168 N 0.03 0.00 -2.92 1.46 2.86 -1.25 -3.38 114.93 111.73 1x9g h MET 168 Ca -0.19 0.00 -0.73 0.00 -2.06 0.00 0.00 59.70 56.72 1x9g h MET 168 Cb 1.95 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 33.27 1x9g h MET 168 CO 0.13 0.51 0.18 0.25 1.06 0.00 0.00 176.91 179.05 1x9g n THR 169 N -3.38 3.91 0.12 2.22 -2.24 -1.10 -0.48 114.28 113.33 1x9g n THR 169 Ca 0.01 -5.49 0.00 0.00 -2.27 0.00 0.00 64.05 56.31 1x9g n THR 169 Cb 0.67 -2.22 0.03 0.00 -2.10 0.00 0.00 70.33 66.70 1x9g n THR 169 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x9g n LYS 170 N 1.61 0.06 -3.75 -0.78 5.02 -1.26 -4.58 118.16 114.49 1x9g n LYS 170 Ca 0.26 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1x9g n LYS 170 Cb 0.37 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 1x9g n LYS 170 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x9g s ASP 171 N -1.97 -0.37 0.00 4.39 -1.08 -1.26 -5.04 116.67 111.34 1x9g s ASP 171 Ca 0.01 0.70 0.22 0.00 -0.52 0.00 0.00 52.55 52.97 1x9g s ASP 171 Cb 0.01 0.69 1.14 0.00 -1.46 0.00 0.00 42.92 43.30 1x9g s ASP 171 CO 0.01 -0.13 1.72 0.00 0.52 0.00 0.00 175.17 177.29 1x9g n ALA 172 N 3.08 2.16 -1.10 3.66 0.00 -1.26 -2.46 120.51 124.60 1x9g n ALA 172 Ca -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1x9g n ALA 172 Cb 0.57 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.94 1x9g n ALA 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x9g n MET 173 N -1.26 3.24 -2.65 0.00 2.81 -1.26 -4.86 117.12 113.16 1x9g n MET 173 Ca 0.11 -3.05 -0.39 0.00 -1.81 0.00 0.00 57.70 52.56 1x9g n MET 173 Cb 0.17 -2.06 -0.05 0.00 -0.71 0.00 0.00 33.22 30.56 1x9g n MET 173 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1x9g s ASP 174 N -1.51 7.33 0.58 7.83 2.15 -1.03 -4.91 116.67 127.11 1x9g s ASP 174 Ca 0.50 2.03 0.27 0.00 0.43 0.00 0.00 52.55 55.79 1x9g s ASP 174 Cb 0.41 -2.60 1.62 0.00 -0.30 0.00 0.00 42.92 42.04 1x9g s ASP 174 CO 0.10 -0.08 2.11 -0.65 -0.17 0.00 0.00 175.17 176.49 1x9g h PRO 175 N 3.58 0.00 -0.06 4.34 0.11 -1.95 0.14 132.00 138.16 1x9g h PRO 175 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1x9g h PRO 175 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1x9g h PRO 175 CO 0.66 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 1x9g n ASN 176 N -3.93 2.64 0.17 -2.05 3.02 -1.26 -4.65 115.26 109.19 1x9g n ASN 176 Ca 0.01 -1.87 -0.14 0.00 -0.03 0.00 0.00 54.58 52.55 1x9g n ASN 176 Cb 0.30 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 1x9g n ASN 176 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1x9g h PHE 177 N 4.06 -0.36 -0.87 3.10 3.04 -1.28 -2.02 116.94 122.61 1x9g h PHE 177 Ca 0.00 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.14 1x9g h PHE 177 Cb 0.86 0.12 -0.11 0.00 2.56 0.00 0.00 35.95 39.38 1x9g h PHE 177 CO 0.02 -0.22 0.39 -0.22 -2.02 0.00 0.00 178.31 176.27 1x9g h LYS 178 N -0.37 0.44 -0.09 1.11 1.63 -1.83 1.26 116.57 118.73 1x9g h LYS 178 Ca -0.03 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1x9g h LYS 178 Cb 0.29 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1x9g h LYS 178 CO 0.04 0.29 0.01 0.00 -3.45 0.00 0.00 179.45 176.34 1x9g h ARG 179 N 0.46 0.15 -0.28 1.90 3.08 -1.83 -2.96 114.38 114.91 1x9g h ARG 179 Ca 0.52 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.34 1x9g h ARG 179 Cb 0.92 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1x9g h ARG 179 CO -0.48 0.39 -0.57 0.82 -1.07 0.00 0.00 179.97 179.06 1x9g h ILE 180 N -0.11 1.27 -0.96 2.04 2.04 -0.56 -2.87 117.51 118.36 1x9g h ILE 180 Ca 0.03 -1.76 0.18 0.00 1.00 0.00 0.00 64.86 64.31 1x9g h ILE 180 Cb 0.32 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 1x9g h ILE 180 CO 0.00 0.57 0.61 -1.28 0.00 0.00 0.00 178.15 178.05 1x9g h SER 181 N 0.66 0.66 -0.35 1.72 0.87 0.15 -2.30 113.55 114.96 1x9g h SER 181 Ca 0.01 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1x9g h SER 181 Cb 1.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1x9g h SER 181 CO 0.13 0.26 -0.04 0.50 -0.53 0.00 0.00 176.83 177.15 1x9g h LYS 182 N 0.66 0.74 -0.23 2.24 3.64 -1.32 -2.45 116.57 119.84 1x9g h LYS 182 Ca 0.52 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1x9g h LYS 182 Cb 0.94 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1x9g h LYS 182 CO -0.28 0.79 0.08 -0.07 -2.27 0.00 0.00 179.45 177.70 1x9g h LEU 183 N 0.69 0.10 -1.31 5.20 3.38 -1.47 -2.83 115.31 119.07 1x9g h LEU 183 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x9g h LEU 183 Cb 0.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x9g h LEU 183 CO 0.03 0.09 0.02 0.18 0.09 0.00 0.00 178.44 178.84 1x9g n LEU 184 N -5.03 0.51 0.03 1.67 4.32 -0.94 -1.48 117.00 116.08 1x9g n LEU 184 Ca -0.02 0.73 0.12 0.00 -0.02 0.00 0.00 56.01 56.82 1x9g n LEU 184 Cb 0.08 -0.79 0.22 0.00 -1.62 0.00 0.00 43.42 41.32 1x9g n LEU 184 CO 0.30 -0.91 0.41 0.29 -1.22 0.00 0.00 177.39 176.26 1x9g n LYS 185 N -2.19 0.14 -2.36 3.23 5.02 -1.07 -4.85 118.16 116.07 1x9g n LYS 185 Ca -0.01 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1x9g n LYS 185 Cb 0.05 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1x9g n LYS 185 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x9g s GLU 186 N -3.08 4.37 -0.08 1.97 2.02 -0.55 -5.06 118.70 118.30 1x9g s GLU 186 Ca 0.09 1.86 0.02 0.00 0.02 0.00 0.00 54.97 56.96 1x9g s GLU 186 Cb 0.16 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1x9g s GLU 186 CO 0.71 -0.05 -0.12 -1.21 0.02 0.00 0.00 175.26 174.61 1x9g s GLU 187 N -1.86 2.80 0.65 1.61 0.41 -1.26 -5.07 118.70 115.98 1x9g s GLU 187 Ca 0.50 -0.65 -0.16 0.00 -0.41 0.00 0.00 54.97 54.24 1x9g s GLU 187 Cb -0.32 -2.50 -0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1x9g s GLU 187 CO 0.41 0.52 1.17 -2.14 -0.49 0.00 0.00 175.26 174.73 1x9g s PRO 188 N -0.46 2.70 0.18 0.39 0.02 -1.26 -4.97 135.00 131.60 1x9g s PRO 188 Ca 0.06 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 1x9g s PRO 188 Cb -0.12 -1.92 0.15 0.00 0.02 0.00 0.00 34.50 32.63 1x9g s PRO 188 CO 0.02 -1.37 1.73 -1.35 -0.33 0.00 0.00 177.00 175.70 1x9g h PRO 189 N 0.28 0.26 -4.79 5.54 0.11 -1.96 -3.37 132.00 128.08 1x9g h PRO 189 Ca -0.48 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.93 1x9g h PRO 189 Cb 1.28 -0.06 -0.26 0.00 0.11 0.00 0.00 31.00 32.07 1x9g h PRO 189 CO 0.53 0.17 -0.61 0.42 -0.21 0.00 0.00 178.00 178.30 1x9g s ILE 190 N -6.14 3.99 0.18 4.15 1.01 -1.26 -5.07 121.20 118.06 1x9g s ILE 190 Ca -0.13 -0.73 -0.33 0.00 0.00 0.00 0.00 60.65 59.47 1x9g s ILE 190 Cb 0.14 -3.08 -0.15 0.00 0.01 0.00 0.00 42.46 39.38 1x9g s ILE 190 CO 0.72 0.05 1.20 -2.65 0.00 0.00 0.00 174.94 174.26 1x9g n PRO 191 N 4.87 1.31 0.00 2.79 -0.02 -1.26 -4.95 135.00 137.73 1x9g n PRO 191 Ca -0.14 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1x9g n PRO 191 Cb 0.48 -1.99 0.74 0.00 -0.02 0.00 0.00 33.50 32.71 1x9g n PRO 191 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76