#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfr h ASP 2 N 0.00 -0.30 -0.97 -3.46 3.32 -2.05 0.28 116.42 113.23 2pfr h ASP 2 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2pfr h ASP 2 Cb 0.00 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 2pfr h ASP 2 CO 0.00 -0.11 0.64 -0.29 -1.72 0.00 0.00 179.24 177.76 2pfr h ILE 3 N 0.09 1.25 -0.43 0.35 6.09 -2.00 0.31 117.51 123.17 2pfr h ILE 3 Ca 0.29 -0.46 -0.04 0.00 -1.37 0.00 0.00 64.86 63.28 2pfr h ILE 3 Cb 0.45 -0.18 -0.02 0.00 0.47 0.00 0.00 36.82 37.54 2pfr h ILE 3 CO -0.50 0.24 0.13 -0.33 -3.07 0.00 0.00 178.15 174.62 2pfr h GLU 4 N 1.32 0.67 -0.26 2.19 3.07 -1.81 0.04 114.58 119.80 2pfr h GLU 4 Ca 0.36 -0.15 0.06 0.00 -0.50 0.00 0.00 59.36 59.13 2pfr h GLU 4 Cb -0.15 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.61 2pfr h GLU 4 CO -0.08 0.66 -0.14 0.00 -1.40 0.00 0.00 179.01 178.06 2pfr h ALA 5 N 0.98 0.07 -0.13 3.43 0.00 0.15 0.67 119.26 124.42 2pfr h ALA 5 Ca 0.14 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2pfr h ALA 5 Cb 0.28 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2pfr h ALA 5 CO -0.00 -0.54 -0.38 -0.92 0.00 0.00 0.00 179.25 177.40 2pfr h TYR 6 N -0.11 -1.09 -0.75 0.00 3.20 -0.16 0.78 116.97 118.85 2pfr h TYR 6 Ca 0.14 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2pfr h TYR 6 Cb 0.32 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 2pfr h TYR 6 CO -0.32 -0.45 0.37 0.74 -1.64 0.00 0.00 178.16 176.86 2pfr h PHE 7 N -0.46 1.05 -0.11 -3.82 0.04 -0.35 0.20 116.94 113.49 2pfr h PHE 7 Ca 0.08 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2pfr h PHE 7 Cb 0.60 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 2pfr h PHE 7 CO -0.46 0.75 -0.09 1.49 -0.60 0.00 0.00 178.31 179.41 2pfr h GLU 8 N 1.05 -0.10 -0.65 1.51 4.81 0.76 0.81 114.58 122.78 2pfr h GLU 8 Ca 0.26 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.61 2pfr h GLU 8 Cb 0.09 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 2pfr h GLU 8 CO -0.04 -0.07 0.22 -0.09 -0.73 0.00 0.00 179.01 178.31 2pfr h ARG 9 N -0.10 0.37 -0.01 1.92 1.12 0.27 -2.35 114.38 115.60 2pfr h ARG 9 Ca 0.07 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2pfr h ARG 9 Cb 0.21 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2pfr h ARG 9 CO -0.17 0.25 -0.18 0.44 -3.11 0.00 0.00 179.97 177.19 2pfr n ILE 10 N -5.03 0.00 -2.56 1.20 -5.35 0.49 -4.91 119.36 103.21 2pfr n ILE 10 Ca 0.10 -0.16 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 2pfr n ILE 10 Cb 0.32 0.40 0.02 0.00 -1.74 0.00 0.00 39.64 38.64 2pfr n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pfr n GLY 11 N 1.29 0.40 2.88 3.28 0.00 0.07 -4.60 105.19 108.51 2pfr n GLY 11 Ca 0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2pfr n GLY 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pfr s TYR 12 N -3.09 0.53 -0.22 1.61 5.04 0.00 -5.03 117.35 116.20 2pfr s TYR 12 Ca 0.07 -0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.54 2pfr s TYR 12 Cb -0.03 -0.49 -0.03 0.00 0.35 0.00 0.00 41.96 41.76 2pfr s TYR 12 CO 0.19 -0.13 0.03 0.15 -1.34 0.00 0.00 175.55 174.44 2pfr s LYS 13 N 0.73 3.64 1.10 4.97 3.01 -1.26 -4.39 119.74 127.54 2pfr s LYS 13 Ca -0.09 -0.50 -0.15 0.00 -1.01 0.00 0.00 55.97 54.22 2pfr s LYS 13 Cb -0.12 -3.17 0.24 0.00 -1.01 0.00 0.00 37.83 33.78 2pfr s LYS 13 CO -0.00 -0.05 1.09 1.21 0.51 0.00 0.00 175.35 178.11 2pfr s ASN 14 N 1.19 1.75 -0.00 2.83 3.84 -1.26 -5.18 114.94 118.11 2pfr s ASN 14 Ca 0.04 0.98 -0.01 0.00 0.21 0.00 0.00 52.86 54.08 2pfr s ASN 14 Cb -0.14 -1.49 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 2pfr s ASN 14 CO 0.02 -3.65 0.02 2.29 -2.79 0.00 0.00 177.10 172.99 2pfr n LYS 18 N -4.49 -3.08 -1.97 0.43 2.85 -1.26 -5.30 118.16 105.35 2pfr n LYS 18 Ca 0.08 2.44 -0.42 0.00 -1.05 0.00 0.00 58.31 59.36 2pfr n LYS 18 Cb 0.58 -3.08 -0.00 0.00 -0.65 0.00 0.00 35.03 31.88 2pfr n LYS 18 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2pfr n LEU 19 N 1.09 7.13 -4.63 -5.58 4.77 -1.26 -4.65 117.00 113.88 2pfr n LEU 19 Ca -0.03 -4.46 -0.29 0.00 -0.03 0.00 0.00 56.01 51.19 2pfr n LEU 19 Cb 0.05 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.52 2pfr n LEU 19 CO 0.03 1.44 -0.22 1.51 -1.33 0.00 0.00 177.39 178.82 2pfr s ASP 20 N 1.77 3.40 0.27 -1.43 -4.77 -1.26 -5.00 116.67 109.65 2pfr s ASP 20 Ca 0.47 -1.69 -0.00 0.00 -3.30 0.00 0.00 52.55 48.03 2pfr s ASP 20 Cb 0.13 0.55 0.38 0.00 -1.09 0.00 0.00 42.92 42.90 2pfr s ASP 20 CO -0.05 -0.92 1.76 0.25 0.70 0.00 0.00 175.17 176.91 2pfr h LEU 21 N 1.58 0.66 -0.54 2.11 5.85 -1.99 -1.79 115.31 121.19 2pfr h LEU 21 Ca -0.39 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.21 2pfr h LEU 21 Cb 1.29 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2pfr h LEU 21 CO 0.63 0.78 0.27 -0.33 -0.34 0.00 0.00 178.44 179.45 2pfr h GLU 22 N 0.63 0.51 -0.10 1.25 3.07 -1.97 0.86 114.58 118.83 2pfr h GLU 22 Ca 0.12 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2pfr h GLU 22 Cb 0.50 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2pfr h GLU 22 CO 0.03 0.34 -0.10 1.15 -1.40 0.00 0.00 179.01 179.03 2pfr h THR 23 N 0.53 1.36 -0.46 1.13 2.02 -1.77 -0.15 112.91 115.57 2pfr h THR 23 Ca 0.24 -1.26 0.08 0.00 0.77 0.00 0.00 66.41 66.24 2pfr h THR 23 Cb 0.15 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 2pfr h THR 23 CO -0.17 0.36 0.05 0.25 0.37 0.00 0.00 175.52 176.38 2pfr h LEU 24 N -0.16 -0.10 -0.59 2.58 5.85 -1.22 -1.09 115.31 120.59 2pfr h LEU 24 Ca 0.02 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2pfr h LEU 24 Cb 0.62 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2pfr h LEU 24 CO 0.02 -0.02 0.35 0.74 -0.34 0.00 0.00 178.44 179.20 2pfr h THR 25 N 0.17 1.18 -0.05 1.05 2.02 -0.74 -1.96 112.91 114.57 2pfr h THR 25 Ca 0.23 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2pfr h THR 25 Cb 0.32 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 2pfr h THR 25 CO -0.34 0.18 -0.49 -0.78 0.37 0.00 0.00 175.52 174.46 2pfr h ASP 26 N 0.79 -1.53 -0.66 4.18 1.82 -0.41 -0.92 116.42 119.68 2pfr h ASP 26 Ca 0.21 0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 57.02 2pfr h ASP 26 Cb -0.01 0.59 -0.03 0.00 0.68 0.00 0.00 39.33 40.56 2pfr h ASP 26 CO -0.04 -0.49 0.39 0.40 -1.61 0.00 0.00 179.24 177.89 2pfr h ILE 27 N -0.61 1.20 -0.35 2.25 2.04 -1.06 -1.26 117.51 119.71 2pfr h ILE 27 Ca 0.04 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2pfr h ILE 27 Cb 0.69 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2pfr h ILE 27 CO -0.37 0.21 0.17 0.25 0.00 0.00 0.00 178.15 178.41 2pfr h LEU 28 N 0.90 0.45 -1.03 1.44 5.85 -1.28 0.14 115.31 121.78 2pfr h LEU 28 Ca 0.24 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2pfr h LEU 28 Cb -0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2pfr h LEU 28 CO -0.04 0.44 0.55 -0.33 -0.34 0.00 0.00 178.44 178.73 2pfr h GLU 29 N 0.43 1.22 -0.06 1.25 5.08 -0.77 -1.86 114.58 119.85 2pfr h GLU 29 Ca 0.12 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2pfr h GLU 29 Cb 0.11 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2pfr h GLU 29 CO -0.02 0.84 -0.12 0.45 -1.00 0.00 0.00 179.01 179.17 2pfr h HIS 30 N 1.24 0.24 -0.56 4.33 3.86 -1.01 -2.74 115.15 120.50 2pfr h HIS 30 Ca 0.32 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2pfr h HIS 30 Cb -0.07 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 2pfr h HIS 30 CO 0.00 0.70 0.33 0.37 0.86 0.00 0.00 177.93 180.20 2pfr h GLN 31 N -0.30 0.64 0.00 2.45 4.15 -0.82 -1.15 115.11 120.08 2pfr h GLN 31 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2pfr h GLN 31 Cb 0.69 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2pfr h GLN 31 CO 0.03 0.42 0.00 -0.84 -1.93 0.00 0.00 178.83 176.51 2pfr h ILE 32 N 0.66 0.00 0.00 2.39 3.07 -1.39 0.55 117.51 122.79 2pfr h ILE 32 Ca 0.23 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.23 2pfr h ILE 32 Cb 0.04 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 2pfr h ILE 32 CO -0.11 0.00 -1.15 0.54 -1.05 0.00 0.00 178.15 176.39 2pfr n ARG 33 N -2.51 0.54 -0.11 0.16 1.74 -0.98 -2.34 116.66 113.16 2pfr n ARG 33 Ca 0.03 0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 2pfr n ARG 33 Cb 0.31 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 2pfr n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pfr n ALA 34 N -2.11 0.98 -2.54 7.54 0.00 -0.47 -4.76 120.51 119.15 2pfr n ALA 34 Ca -0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 2pfr n ALA 34 Cb 0.53 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 2pfr n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pfr s VAL 35 N -2.72 5.07 0.50 0.00 1.01 0.19 -5.00 120.40 119.46 2pfr s VAL 35 Ca -0.32 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2pfr s VAL 35 Cb 0.08 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 2pfr s VAL 35 CO 0.45 -0.22 1.11 -2.16 0.00 0.00 0.00 175.10 174.28 2pfr s PRO 36 N 2.25 3.59 -0.16 2.72 0.04 -1.26 -4.59 135.00 137.59 2pfr s PRO 36 Ca 0.16 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 2pfr s PRO 36 Cb -0.16 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2pfr s PRO 36 CO 0.13 -0.65 1.08 0.12 0.04 0.00 0.00 177.00 177.72 2pfr s PHE 37 N -1.76 3.31 0.05 0.56 5.36 -0.47 -2.54 117.98 122.49 2pfr s PHE 37 Ca 0.69 1.41 -0.16 0.00 -0.96 0.00 0.00 56.93 57.91 2pfr s PHE 37 Cb -0.23 -3.30 0.03 0.00 -0.34 0.00 0.00 43.02 39.18 2pfr s PHE 37 CO 0.27 -0.67 0.37 -1.83 -1.46 0.00 0.00 175.22 171.90 2pfr s GLU 38 N 2.73 0.90 -0.13 10.12 -1.05 -0.35 -0.04 118.70 130.87 2pfr s GLU 38 Ca 0.48 -0.45 0.15 0.00 -0.15 0.00 0.00 54.97 55.00 2pfr s GLU 38 Cb -0.18 0.40 0.31 0.00 -0.44 0.00 0.00 34.13 34.21 2pfr s GLU 38 CO 0.13 -0.31 1.15 0.27 0.95 0.00 0.00 175.26 177.46 2pfr n ASN 39 N 0.44 1.70 0.28 0.83 6.94 -0.98 -2.61 115.26 121.86 2pfr n ASN 39 Ca -0.18 -3.10 0.14 0.00 -0.02 0.00 0.00 54.58 51.41 2pfr n ASN 39 Cb 0.60 -0.42 0.82 0.00 -2.36 0.00 0.00 39.78 38.43 2pfr n ASN 39 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2pfr h LEU 40 N 0.41 0.00 -1.61 -4.53 3.38 -1.95 -1.35 115.31 109.66 2pfr h LEU 40 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2pfr h LEU 40 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2pfr h LEU 40 CO 0.01 0.05 0.36 0.78 0.09 0.00 0.00 178.44 179.73 2pfr h ASN 41 N 0.00 0.41 0.58 -0.43 4.21 -1.89 -1.17 115.58 117.30 2pfr h ASN 41 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2pfr h ASN 41 Cb 0.13 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2pfr h ASN 41 CO 0.01 0.27 0.00 0.23 -1.29 0.00 0.00 177.43 176.65 2pfr n MET 42 N -4.47 0.03 -0.03 0.81 2.81 -0.51 -0.52 117.12 115.24 2pfr n MET 42 Ca 0.07 0.26 0.01 0.00 -1.81 0.00 0.00 57.70 56.24 2pfr n MET 42 Cb 0.25 -1.56 0.03 0.00 -0.71 0.00 0.00 33.22 31.23 2pfr n MET 42 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2pfr n HIS 43 N -1.63 0.09 -2.58 2.03 8.25 -0.46 -4.52 115.22 116.39 2pfr n HIS 43 Ca 0.04 -0.45 0.02 0.00 -0.26 0.00 0.00 57.72 57.07 2pfr n HIS 43 Cb 0.19 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.30 2pfr n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pfr n GLY 45 N 0.09 0.45 3.61 0.00 0.00 -1.14 -4.75 105.19 103.44 2pfr n GLY 45 Ca 0.07 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2pfr n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pfr s GLN 46 N -4.08 1.98 0.56 1.61 -0.21 0.32 -5.05 119.66 114.79 2pfr s GLN 46 Ca 0.00 -1.88 -0.16 0.00 0.02 0.00 0.00 55.36 53.34 2pfr s GLN 46 Cb 0.00 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 2pfr s GLN 46 CO 0.00 0.09 1.04 0.00 -2.12 0.00 0.00 175.29 174.30 2pfr s ALA 47 N -2.59 2.84 -0.65 6.09 0.00 -1.26 -4.07 121.76 122.12 2pfr s ALA 47 Ca 0.34 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.72 2pfr s ALA 47 Cb 0.03 -3.20 0.25 0.00 0.00 0.00 0.00 23.12 20.20 2pfr s ALA 47 CO 0.18 -0.62 0.77 -1.33 0.00 0.00 0.00 175.76 174.77 2pfr n MET 48 N -1.82 2.61 -2.18 0.00 2.81 -1.26 -4.80 117.12 112.48 2pfr n MET 48 Ca 0.08 -4.68 -0.38 0.00 -1.81 0.00 0.00 57.70 50.91 2pfr n MET 48 Cb 0.53 -2.27 -0.01 0.00 -0.71 0.00 0.00 33.22 30.77 2pfr n MET 48 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2pfr s GLU 49 N -2.53 3.91 0.01 0.03 0.41 -1.26 -4.96 118.70 114.32 2pfr s GLU 49 Ca 0.40 1.95 0.22 0.00 -0.41 0.00 0.00 54.97 57.13 2pfr s GLU 49 Cb 0.15 -2.62 -0.15 0.00 -1.78 0.00 0.00 34.13 29.73 2pfr s GLU 49 CO -0.01 -0.47 0.83 -0.11 -0.49 0.00 0.00 175.26 175.01 2pfr n LEU 50 N -0.08 0.56 -4.73 1.80 7.94 -1.26 -4.77 117.00 116.45 2pfr n LEU 50 Ca 0.05 -0.16 -0.42 0.00 -1.11 0.00 0.00 56.01 54.38 2pfr n LEU 50 Cb 0.46 -0.04 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 2pfr n LEU 50 CO 0.52 0.09 1.02 -0.83 -1.11 0.00 0.00 177.39 177.08 2pfr s GLY 51 N -3.71 2.24 0.24 -3.96 0.00 -1.26 -4.94 107.32 95.93 2pfr s GLY 51 Ca 0.02 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.79 2pfr s GLY 51 CO 0.85 2.20 1.91 -2.00 0.00 0.00 0.00 173.10 176.06 2pfr h LEU 52 N 5.97 1.05 -0.04 0.66 5.85 -1.98 -2.01 115.31 124.81 2pfr h LEU 52 Ca -0.44 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2pfr h LEU 52 Cb 1.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2pfr h LEU 52 CO 0.81 0.75 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.27 2pfr h GLU 53 N 1.24 -0.08 -0.86 1.25 3.07 -1.99 0.20 114.58 117.40 2pfr h GLU 53 Ca 0.35 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.28 2pfr h GLU 53 Cb -0.10 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.77 2pfr h GLU 53 CO -0.09 -0.06 0.54 0.00 -1.40 0.00 0.00 179.01 178.00 2pfr h ALA 54 N 0.95 1.18 -0.37 3.43 0.00 -1.90 -0.17 119.26 122.38 2pfr h ALA 54 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2pfr h ALA 54 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pfr h ALA 54 CO -0.10 0.29 -0.13 0.82 0.00 0.00 0.00 179.25 180.13 2pfr h ILE 55 N 0.98 1.28 0.23 0.00 2.04 -0.82 -1.59 117.51 119.63 2pfr h ILE 55 Ca 0.37 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2pfr h ILE 55 Cb 0.16 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2pfr h ILE 55 CO -0.17 0.41 -0.11 0.15 0.00 0.00 0.00 178.15 178.43 2pfr h PHE 56 N 0.54 -0.28 -0.61 1.37 3.57 -0.12 0.11 116.94 121.52 2pfr h PHE 56 Ca 0.09 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.71 2pfr h PHE 56 Cb 0.67 0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 2pfr h PHE 56 CO 0.05 -0.13 -0.04 0.22 -2.23 0.00 0.00 178.31 176.18 2pfr h ASP 57 N -0.36 -0.35 0.10 0.41 -0.00 -1.01 0.23 116.42 115.44 2pfr h ASP 57 Ca -0.03 0.16 -0.00 0.00 -0.00 0.00 0.00 57.03 57.15 2pfr h ASP 57 Cb 0.28 0.30 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 2pfr h ASP 57 CO 0.05 -0.14 -0.05 -0.74 -0.00 0.00 0.00 179.24 178.37 2pfr h HIS 58 N 0.08 -0.12 0.06 0.28 6.17 -1.04 -1.16 115.15 119.41 2pfr h HIS 58 Ca 0.31 -0.00 -0.15 0.00 0.71 0.00 0.00 60.37 61.24 2pfr h HIS 58 Cb 0.50 0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.47 2pfr h HIS 58 CO -0.40 0.01 -0.73 0.82 0.71 0.00 0.00 177.93 178.35 2pfr h ILE 59 N -0.23 1.40 0.00 6.26 2.04 -0.60 -2.00 117.51 124.38 2pfr h ILE 59 Ca -0.01 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.42 2pfr h ILE 59 Cb 0.19 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 2pfr h ILE 59 CO 0.02 0.60 -0.30 0.58 0.00 0.00 0.00 178.15 179.05 2pfr h VAL 60 N -0.71 1.48 0.07 1.67 2.07 -0.69 -2.88 116.25 117.26 2pfr h VAL 60 Ca -0.16 -2.22 -0.25 0.00 0.82 0.00 0.00 66.70 64.89 2pfr h VAL 60 Cb 1.37 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 2pfr h VAL 60 CO 0.01 0.50 -1.13 0.03 0.02 0.00 0.00 177.57 177.00 2pfr h ARG 61 N -1.00 0.16 -0.19 1.57 3.08 -1.39 -3.34 114.38 113.27 2pfr h ARG 61 Ca -0.08 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2pfr h ARG 61 Cb 1.02 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2pfr h ARG 61 CO -0.05 1.12 0.00 0.54 -1.07 0.00 0.00 179.97 180.51 2pfr n ARG 62 N -3.46 1.79 -3.76 0.04 3.00 -0.48 -5.00 116.66 108.79 2pfr n ARG 62 Ca -0.05 -1.76 -0.26 0.00 -0.01 0.00 0.00 57.85 55.77 2pfr n ARG 62 Cb 0.98 -1.34 0.05 0.00 0.00 0.00 0.00 32.46 32.15 2pfr n ARG 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2pfr n ASN 63 N 0.94 -4.33 -4.96 0.55 5.15 -1.09 -4.77 115.26 106.74 2pfr n ASN 63 Ca 0.12 -0.72 -0.23 0.00 -0.60 0.00 0.00 54.58 53.15 2pfr n ASN 63 Cb 0.44 -4.29 0.03 0.00 -0.53 0.00 0.00 39.78 35.43 2pfr n ASN 63 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2pfr s ARG 64 N -6.34 2.27 0.00 1.20 1.81 -0.76 -4.44 118.95 112.69 2pfr s ARG 64 Ca 0.48 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 2pfr s ARG 64 Cb -0.23 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 2pfr s ARG 64 CO 0.80 -0.74 0.00 0.41 -0.68 0.00 0.00 175.30 175.09 2pfr n GLY 65 N -1.99 3.46 3.80 -3.53 0.00 -1.26 -4.43 105.19 101.24 2pfr n GLY 65 Ca 0.06 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.18 2pfr n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pfr s GLY 66 N -0.18 -0.25 0.70 -0.02 0.00 -1.05 -4.73 107.32 101.79 2pfr s GLY 66 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 2pfr s GLY 66 CO 0.00 2.73 0.96 -2.67 0.00 0.00 0.00 173.10 174.12 2pfr n TRP 67 N -0.69 -3.04 -0.24 1.90 2.14 -1.07 -1.22 117.44 115.22 2pfr n TRP 67 Ca -0.03 -1.61 0.04 0.00 2.07 0.00 0.00 57.50 57.97 2pfr n TRP 67 Cb 0.61 -0.71 0.16 0.00 -0.81 0.00 0.00 31.31 30.57 2pfr n TRP 67 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2pfr h LEU 69 N 0.34 0.00 0.00 0.00 3.38 -1.90 -1.48 115.31 115.65 2pfr h LEU 69 Ca 0.39 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.20 2pfr h LEU 69 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2pfr h LEU 69 CO -0.43 0.00 -1.45 0.00 0.09 0.00 0.00 178.44 176.65 2pfr n GLN 70 N -2.75 0.47 0.00 1.13 6.02 0.15 -4.19 117.38 118.22 2pfr n GLN 70 Ca -0.02 0.20 -0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2pfr n GLN 70 Cb 0.08 -1.31 0.29 0.00 1.02 0.00 0.00 30.24 30.31 2pfr n GLN 70 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2pfr h VAL 71 N -0.85 1.20 0.00 5.09 -1.51 -1.02 -0.07 116.25 119.09 2pfr h VAL 71 Ca -0.24 -0.82 -0.12 0.00 -1.23 0.00 0.00 66.70 64.28 2pfr h VAL 71 Cb 1.13 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 2pfr h VAL 71 CO -0.15 0.28 -0.63 0.78 -1.23 0.00 0.00 177.57 176.62 2pfr h ASN 72 N 0.50 0.00 -0.02 4.19 2.35 -1.49 -1.13 115.58 119.97 2pfr h ASN 72 Ca 0.10 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 2pfr h ASN 72 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2pfr h ASN 72 CO 0.01 0.54 -0.65 -0.61 -1.65 0.00 0.00 177.43 175.07 2pfr h GLN 73 N 0.00 0.64 0.05 0.81 4.15 -1.55 0.10 115.11 119.32 2pfr h GLN 73 Ca -0.02 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 2pfr h GLN 73 Cb 1.43 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.19 2pfr h GLN 73 CO 0.07 1.08 -0.02 1.25 -1.93 0.00 0.00 178.83 179.28 2pfr h LEU 74 N 0.47 -0.05 -0.90 -2.39 5.85 -1.00 -1.71 115.31 115.58 2pfr h LEU 74 Ca -0.02 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2pfr h LEU 74 Cb 1.24 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2pfr h LEU 74 CO 0.13 0.12 0.59 0.25 -0.34 0.00 0.00 178.44 179.18 2pfr h LEU 75 N -0.23 0.99 -0.31 2.25 5.85 -1.20 -1.20 115.31 121.46 2pfr h LEU 75 Ca -0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2pfr h LEU 75 Cb 0.20 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2pfr h LEU 75 CO 0.01 0.69 -0.05 0.22 -0.34 0.00 0.00 178.44 178.98 2pfr h TYR 76 N 1.16 -0.11 -0.38 1.25 3.20 -0.74 -0.79 116.97 120.56 2pfr h TYR 76 Ca 0.35 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.26 2pfr h TYR 76 Cb -0.05 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2pfr h TYR 76 CO -0.01 -0.10 0.22 2.35 -1.64 0.00 0.00 178.16 178.98 2pfr h TRP 77 N 0.03 0.42 -0.59 -3.82 7.01 -0.74 -1.86 115.95 116.40 2pfr h TRP 77 Ca 0.15 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.10 2pfr h TRP 77 Cb 0.22 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2pfr h TRP 77 CO -0.27 0.25 0.14 0.00 -2.79 0.00 0.00 178.44 175.76 2pfr h ALA 78 N 1.17 0.78 -0.34 2.65 0.00 -0.94 -1.51 119.26 121.07 2pfr h ALA 78 Ca 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2pfr h ALA 78 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pfr h ALA 78 CO -0.07 0.50 -0.32 -0.07 0.00 0.00 0.00 179.25 179.29 2pfr h LEU 79 N 0.87 0.87 -0.79 0.00 3.38 -1.05 -2.60 115.31 115.99 2pfr h LEU 79 Ca 0.19 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 2pfr h LEU 79 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2pfr h LEU 79 CO 0.00 1.15 -0.50 0.71 0.09 0.00 0.00 178.44 179.90 2pfr h THR 80 N 0.59 1.34 0.45 0.22 1.35 -1.34 0.17 112.91 115.69 2pfr h THR 80 Ca 0.05 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.17 2pfr h THR 80 Cb 0.90 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2pfr h THR 80 CO 0.08 0.52 -0.22 0.74 -0.25 0.00 0.00 175.52 176.39 2pfr h THR 81 N 0.22 0.56 0.00 6.82 2.02 -1.12 -2.83 112.91 118.57 2pfr h THR 81 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2pfr h THR 81 Cb 0.95 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2pfr h THR 81 CO 0.08 0.00 -0.02 0.16 0.37 0.00 0.00 175.52 176.11 2pfr h ILE 82 N -0.61 0.06 0.00 3.11 3.07 -1.48 -3.47 117.51 118.19 2pfr h ILE 82 Ca -0.06 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.74 2pfr h ILE 82 Cb 0.47 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2pfr h ILE 82 CO 0.10 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 177.83 2pfr n GLY 83 N 0.13 0.18 3.76 0.16 0.00 -0.79 -5.01 105.19 103.63 2pfr n GLY 83 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2pfr n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pfr s PHE 84 N -0.84 2.60 -0.42 1.61 0.08 -0.02 -4.95 117.98 116.04 2pfr s PHE 84 Ca 0.00 1.35 -0.29 0.00 0.12 0.00 0.00 56.93 58.11 2pfr s PHE 84 Cb 0.00 -3.78 0.01 0.00 -0.57 0.00 0.00 43.02 38.69 2pfr s PHE 84 CO 0.00 -2.52 1.32 -1.14 -0.10 0.00 0.00 175.22 172.77 2pfr s GLN 85 N -2.44 3.66 -0.02 0.44 0.74 -1.26 -4.29 119.66 116.50 2pfr s GLN 85 Ca 0.61 0.87 0.04 0.00 0.05 0.00 0.00 55.36 56.93 2pfr s GLN 85 Cb -0.40 -3.97 -0.01 0.00 1.10 0.00 0.00 33.01 29.73 2pfr s GLN 85 CO 0.51 -1.46 -0.14 0.99 -0.55 0.00 0.00 175.29 174.65 2pfr s THR 86 N 5.02 1.14 -0.01 -0.34 2.01 -1.26 -1.70 115.64 120.50 2pfr s THR 86 Ca 0.57 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2pfr s THR 86 Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2pfr s THR 86 CO 0.31 0.33 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.65 2pfr s THR 87 N -0.15 0.23 0.04 -0.82 2.01 0.32 -4.98 115.64 112.30 2pfr s THR 87 Ca 0.02 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 2pfr s THR 87 Cb -0.07 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2pfr s THR 87 CO 0.00 0.08 0.88 -0.04 -0.69 0.00 0.00 174.62 174.85 2pfr s MET 88 N 0.11 4.57 0.21 4.92 -1.94 -1.26 -0.28 119.30 125.63 2pfr s MET 88 Ca -0.01 1.26 0.11 0.00 -1.71 0.00 0.00 55.69 55.35 2pfr s MET 88 Cb -0.03 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 2pfr s MET 88 CO -0.00 0.15 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.45 2pfr s LEU 89 N 0.32 2.59 -0.14 -0.03 1.43 -0.02 -0.97 118.68 121.86 2pfr s LEU 89 Ca 0.45 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2pfr s LEU 89 Cb -0.21 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2pfr s LEU 89 CO 0.26 0.10 0.05 -0.83 0.23 0.00 0.00 176.35 176.16 2pfr s GLY 90 N -2.88 1.92 0.40 -3.19 0.00 -1.26 -1.73 107.32 100.58 2pfr s GLY 90 Ca 0.23 -0.75 0.06 0.00 0.00 0.00 0.00 44.72 44.26 2pfr s GLY 90 CO 0.12 -0.23 0.02 -0.32 0.00 0.00 0.00 173.10 172.69 2pfr s GLY 91 N -0.28 2.48 -0.14 0.20 0.00 0.68 -3.72 107.32 106.55 2pfr s GLY 91 Ca 0.08 -2.14 -0.01 0.00 0.00 0.00 0.00 44.72 42.64 2pfr s GLY 91 CO 0.02 -2.06 -0.03 -0.19 0.00 0.00 0.00 173.10 170.84 2pfr s TYR 92 N -2.81 1.29 0.30 1.90 2.02 -0.01 -1.70 117.35 118.34 2pfr s TYR 92 Ca 0.33 -0.75 -0.28 0.00 -0.37 0.00 0.00 57.07 56.00 2pfr s TYR 92 Cb 0.09 -1.13 -0.09 0.00 -0.40 0.00 0.00 41.96 40.43 2pfr s TYR 92 CO 0.17 -0.52 0.99 0.12 -1.57 0.00 0.00 175.55 174.73 2pfr s PHE 93 N 1.77 3.71 0.42 2.71 5.36 -1.26 -1.53 117.98 129.15 2pfr s PHE 93 Ca 0.02 1.79 -0.25 0.00 -0.96 0.00 0.00 56.93 57.54 2pfr s PHE 93 Cb -0.14 -3.04 -0.08 0.00 -0.34 0.00 0.00 43.02 39.42 2pfr s PHE 93 CO -0.07 0.04 1.21 -0.47 -1.46 0.00 0.00 175.22 174.46 2pfr s TYR 94 N -1.40 2.94 -0.50 10.12 5.04 -0.39 -0.40 117.35 132.76 2pfr s TYR 94 Ca 0.47 1.51 0.04 0.00 -2.44 0.00 0.00 57.07 56.65 2pfr s TYR 94 Cb -0.24 -3.47 0.13 0.00 0.35 0.00 0.00 41.96 38.73 2pfr s TYR 94 CO 0.30 -1.60 0.26 0.42 -1.34 0.00 0.00 175.55 173.59 2pfr s ILE 95 N -1.40 2.28 0.23 3.14 1.01 0.13 -4.88 121.20 121.71 2pfr s ILE 95 Ca 0.59 -3.15 -0.06 0.00 0.00 0.00 0.00 60.65 58.03 2pfr s ILE 95 Cb -0.32 -2.59 0.20 0.00 0.01 0.00 0.00 42.46 39.76 2pfr s ILE 95 CO 0.40 -0.83 1.74 -0.65 0.00 0.00 0.00 174.94 175.60 2pfr h PRO 96 N 6.52 0.44 -1.01 2.79 0.11 -1.91 -1.14 132.00 137.81 2pfr h PRO 96 Ca -0.06 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 66.30 2pfr h PRO 96 Cb 0.90 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.85 2pfr h PRO 96 CO 0.64 0.29 0.70 -1.35 -0.21 0.00 0.00 178.00 178.06 2pfr h PRO 97 N 0.46 0.17 -0.11 1.05 0.11 -1.93 -1.89 132.00 129.86 2pfr h PRO 97 Ca 0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2pfr h PRO 97 Cb 0.54 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2pfr h PRO 97 CO -0.37 0.11 0.00 1.33 -0.21 0.00 0.00 178.00 178.86 2pfr n VAL 98 N -4.38 0.48 -4.00 3.15 0.24 -0.81 -5.01 118.33 107.99 2pfr n VAL 98 Ca 0.22 -0.74 -0.30 0.00 -2.04 0.00 0.00 64.34 61.48 2pfr n VAL 98 Cb 0.97 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 2pfr n VAL 98 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pfr n ASN 99 N 0.27 -3.03 -4.16 -1.34 5.15 -0.50 -4.99 115.26 106.66 2pfr n ASN 99 Ca 0.06 -0.90 -0.10 0.00 -0.60 0.00 0.00 54.58 53.03 2pfr n ASN 99 Cb 0.26 -3.38 -0.10 0.00 -0.53 0.00 0.00 39.78 36.03 2pfr n ASN 99 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2pfr s LYS 100 N -6.63 0.81 0.28 1.20 1.02 -1.20 -5.00 119.74 110.22 2pfr s LYS 100 Ca 0.48 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2pfr s LYS 100 Cb -0.25 -0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 36.81 2pfr s LYS 100 CO 0.87 -0.03 0.68 0.71 -0.92 0.00 0.00 175.35 176.67 2pfr s TYR 101 N -3.61 3.42 0.42 3.18 2.02 -1.26 0.18 117.35 121.70 2pfr s TYR 101 Ca 0.11 1.14 -0.26 0.00 -0.37 0.00 0.00 57.07 57.69 2pfr s TYR 101 Cb 0.05 -2.47 -0.10 0.00 -0.40 0.00 0.00 41.96 39.05 2pfr s TYR 101 CO -0.05 0.17 1.40 -1.13 -1.57 0.00 0.00 175.55 174.37 2pfr n SER 102 N -0.16 3.19 -0.22 2.29 3.41 0.47 -4.91 113.62 117.68 2pfr n SER 102 Ca 0.02 1.14 -0.08 0.00 -0.26 0.00 0.00 58.87 59.70 2pfr n SER 102 Cb 0.53 -1.57 0.03 0.00 -0.26 0.00 0.00 64.21 62.93 2pfr n SER 102 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2pfr h THR 103 N 2.39 1.24 -3.86 6.66 2.02 -1.97 -3.44 112.91 115.96 2pfr h THR 103 Ca -0.50 -0.81 -0.47 0.00 0.77 0.00 0.00 66.41 65.40 2pfr h THR 103 Cb 1.27 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2pfr h THR 103 CO 0.61 0.31 0.27 -0.83 0.37 0.00 0.00 175.52 176.26 2pfr s GLY 104 N -3.25 2.60 -1.33 2.16 0.00 -1.26 -4.97 107.32 101.26 2pfr s GLY 104 Ca -0.13 0.37 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 2pfr s GLY 104 CO 0.81 0.72 1.86 -0.13 0.00 0.00 0.00 173.10 176.37 2pfr n MET 105 N 0.14 3.18 0.00 2.90 1.56 -1.26 -4.58 117.12 119.06 2pfr n MET 105 Ca 0.03 -3.20 0.14 0.00 -0.27 0.00 0.00 57.70 54.40 2pfr n MET 105 Cb 0.52 -3.28 0.58 0.00 2.15 0.00 0.00 33.22 33.19 2pfr n MET 105 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2pfr n VAL 106 N 5.27 0.00 -4.95 1.12 0.24 -0.84 -4.78 118.33 114.39 2pfr n VAL 106 Ca 0.47 -0.09 -0.28 0.00 -2.04 0.00 0.00 64.34 62.40 2pfr n VAL 106 Cb 0.42 0.03 -0.16 0.00 -1.47 0.00 0.00 33.84 32.66 2pfr n VAL 106 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2pfr s HIS 107 N -2.41 1.91 -0.19 6.34 5.04 -0.69 -4.88 115.29 120.40 2pfr s HIS 107 Ca 0.30 -0.56 -0.06 0.00 -1.54 0.00 0.00 55.06 53.19 2pfr s HIS 107 Cb 0.20 -1.28 -0.03 0.00 0.04 0.00 0.00 32.58 31.51 2pfr s HIS 107 CO 0.47 -0.19 0.03 -1.17 -2.34 0.00 0.00 174.74 171.54 2pfr s LEU 108 N 0.00 3.51 0.27 8.88 2.96 -1.26 -0.23 118.68 132.82 2pfr s LEU 108 Ca -0.04 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2pfr s LEU 108 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2pfr s LEU 108 CO 0.03 0.11 0.12 -1.48 -1.32 0.00 0.00 176.35 173.81 2pfr s LEU 109 N 0.75 1.62 0.18 -0.68 2.34 -0.70 -4.74 118.68 117.45 2pfr s LEU 109 Ca 0.02 -1.45 0.11 0.00 0.06 0.00 0.00 54.13 52.87 2pfr s LEU 109 Cb -0.14 0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.56 2pfr s LEU 109 CO 0.02 -0.80 -0.24 -0.76 -1.06 0.00 0.00 176.35 173.51 2pfr s LEU 110 N -3.33 2.42 -0.14 1.48 1.43 -0.07 -0.84 118.68 119.63 2pfr s LEU 110 Ca 0.37 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2pfr s LEU 110 Cb 0.07 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2pfr s LEU 110 CO 0.15 0.12 -0.18 -1.58 0.23 0.00 0.00 176.35 175.08 2pfr s GLN 111 N -2.60 2.65 -0.13 1.70 0.74 0.61 -1.12 119.66 121.51 2pfr s GLN 111 Ca 0.20 -0.71 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 2pfr s GLN 111 Cb -0.08 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.78 2pfr s GLN 111 CO 0.09 -0.08 -0.05 0.08 -0.55 0.00 0.00 175.29 174.78 2pfr s VAL 112 N 1.02 3.84 -0.19 1.34 1.01 -0.06 -0.52 120.40 126.84 2pfr s VAL 112 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2pfr s VAL 112 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2pfr s VAL 112 CO -0.04 0.52 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 2pfr s THR 113 N 0.06 3.30 -0.23 3.92 2.01 -0.69 -0.33 115.64 123.69 2pfr s THR 113 Ca -0.01 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2pfr s THR 113 Cb -0.14 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 69.96 2pfr s THR 113 CO 0.03 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 2pfr s ILE 114 N 1.06 1.70 -1.40 1.82 1.01 -0.18 -4.13 121.20 121.08 2pfr s ILE 114 Ca 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 2pfr s ILE 114 Cb -0.15 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2pfr s ILE 114 CO -0.01 -0.01 0.70 0.47 0.00 0.00 0.00 174.94 176.09 2pfr n ASP 115 N 4.62 -1.84 0.00 3.58 8.00 -1.26 -1.31 116.55 128.34 2pfr n ASP 115 Ca -0.13 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2pfr n ASP 115 Cb 0.44 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 2pfr n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pfr n GLY 116 N -1.69 2.91 3.80 0.44 0.00 -1.26 -5.00 105.19 104.39 2pfr n GLY 116 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2pfr n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pfr s ARG 117 N -0.18 4.35 -0.18 1.61 0.52 -0.43 -5.06 118.95 119.58 2pfr s ARG 117 Ca 0.00 1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 56.16 2pfr s ARG 117 Cb 0.00 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 2pfr s ARG 117 CO 0.00 0.38 0.00 -0.80 0.02 0.00 0.00 175.30 174.90 2pfr s ASN 118 N -1.61 5.03 -0.04 0.23 0.01 -1.26 -1.01 114.94 116.29 2pfr s ASN 118 Ca 0.44 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.54 2pfr s ASN 118 Cb -0.17 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.63 2pfr s ASN 118 CO 0.22 0.13 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.45 2pfr s TYR 119 N 0.61 1.72 -0.16 2.20 2.02 0.55 -1.17 117.35 123.12 2pfr s TYR 119 Ca -0.00 -0.45 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 2pfr s TYR 119 Cb -0.14 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 2pfr s TYR 119 CO 0.02 -0.13 0.41 0.42 -1.57 0.00 0.00 175.55 174.70 2pfr s ILE 120 N -0.09 5.21 -0.13 2.71 -1.09 0.11 -0.88 121.20 127.04 2pfr s ILE 120 Ca -0.01 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2pfr s ILE 120 Cb -0.10 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 2pfr s ILE 120 CO 0.01 0.31 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.23 2pfr s VAL 121 N 0.88 1.28 -0.17 2.92 1.01 -0.27 -1.50 120.40 124.53 2pfr s VAL 121 Ca 0.21 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2pfr s VAL 121 Cb -0.14 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.08 2pfr s VAL 121 CO 0.08 0.41 0.22 -0.62 0.00 0.00 0.00 175.10 175.19 2pfr s ASP 122 N 1.55 1.12 -0.11 3.32 2.15 -1.26 -0.89 116.67 122.54 2pfr s ASP 122 Ca 0.04 -0.01 0.17 0.00 0.43 0.00 0.00 52.55 53.17 2pfr s ASP 122 Cb -0.13 0.42 0.67 0.00 -0.30 0.00 0.00 42.92 43.58 2pfr s ASP 122 CO -0.09 -0.30 1.57 0.00 -0.17 0.00 0.00 175.17 176.18 2pfr n ALA 123 N 5.33 3.09 -2.39 3.66 0.00 -1.26 -4.54 120.51 124.39 2pfr n ALA 123 Ca -0.05 -1.46 0.02 0.00 0.00 0.00 0.00 53.44 51.94 2pfr n ALA 123 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2pfr n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfr n GLY 124 N 1.06 0.90 0.19 0.00 0.00 -1.26 -4.84 105.19 101.25 2pfr n GLY 124 Ca 0.24 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.69 2pfr n GLY 124 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pfr h SER 125 N 0.79 0.00 -3.11 1.61 0.02 -1.90 -3.34 113.55 107.60 2pfr h SER 125 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2pfr h SER 125 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2pfr h SER 125 CO 0.03 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 2pfr n GLY 126 N 1.14 -1.55 7.00 -3.77 0.00 -1.26 -4.80 105.19 101.95 2pfr n GLY 126 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2pfr n GLY 126 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pfr n SER 127 N -0.78 0.00 -0.33 1.61 3.41 -1.26 -2.07 113.62 114.20 2pfr n SER 127 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2pfr n SER 127 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2pfr n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pfr n SER 128 N 0.47 0.82 -0.36 4.04 3.41 0.28 -3.10 113.62 119.18 2pfr n SER 128 Ca 0.00 -2.04 0.13 0.00 -0.26 0.00 0.00 58.87 56.70 2pfr n SER 128 Cb 0.00 -0.22 0.28 0.00 -0.26 0.00 0.00 64.21 64.01 2pfr n SER 128 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2pfr n SER 129 N -0.15 1.41 -4.66 4.04 7.64 -0.88 -4.94 113.62 116.09 2pfr n SER 129 Ca 0.03 -1.16 -0.40 0.00 1.01 0.00 0.00 58.87 58.35 2pfr n SER 129 Cb 0.17 0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 2pfr n SER 129 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2pfr s GLN 130 N -2.43 4.23 0.35 1.43 2.00 -1.18 -4.86 119.66 119.20 2pfr s GLN 130 Ca 0.24 0.71 -0.28 0.00 -2.00 0.00 0.00 55.36 54.03 2pfr s GLN 130 Cb 0.19 -3.58 -0.10 0.00 0.80 0.00 0.00 33.01 30.32 2pfr s GLN 130 CO 0.51 -0.27 1.34 0.00 -0.50 0.00 0.00 175.29 176.37 2pfr s MET 131 N 2.00 4.24 -0.12 1.67 0.23 -1.26 -4.89 119.30 121.17 2pfr s MET 131 Ca 0.31 2.27 0.04 0.00 -1.03 0.00 0.00 55.69 57.28 2pfr s MET 131 Cb -0.16 -2.99 -0.24 0.00 -1.53 0.00 0.00 34.83 29.91 2pfr s MET 131 CO 0.11 -0.31 0.35 0.91 -2.03 0.00 0.00 175.02 174.05 2pfr n TRP 132 N 0.61 0.84 -4.32 3.16 7.02 -1.26 -4.93 117.44 118.55 2pfr n TRP 132 Ca 0.01 0.23 -0.25 0.00 -1.02 0.00 0.00 57.50 56.47 2pfr n TRP 132 Cb 0.42 -1.13 -0.12 0.00 -2.42 0.00 0.00 31.31 28.05 2pfr n TRP 132 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2pfr s GLN 133 N -2.56 1.22 0.82 -0.99 1.11 -1.26 -4.19 119.66 113.81 2pfr s GLN 133 Ca -0.16 -1.24 -0.15 0.00 0.01 0.00 0.00 55.36 53.82 2pfr s GLN 133 Cb 0.07 -1.53 -0.00 0.00 -1.01 0.00 0.00 33.01 30.54 2pfr s GLN 133 CO 0.77 0.35 0.52 -2.30 0.01 0.00 0.00 175.29 174.65 2pfr n PRO 134 N 0.95 0.08 -4.65 2.91 -0.02 -1.26 -5.00 135.00 128.01 2pfr n PRO 134 Ca -0.18 0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2pfr n PRO 134 Cb 0.54 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 2pfr n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pfr s LEU 135 N -0.87 2.75 0.33 2.45 1.43 -0.56 -4.94 118.68 119.28 2pfr s LEU 135 Ca 0.63 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 2pfr s LEU 135 Cb -0.29 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 2pfr s LEU 135 CO 0.61 0.14 1.08 -0.70 0.23 0.00 0.00 176.35 177.71 2pfr s GLU 136 N 0.49 4.42 -1.25 1.70 2.12 -1.26 0.07 118.70 124.99 2pfr s GLU 136 Ca -0.08 1.68 -0.19 0.00 0.36 0.00 0.00 54.97 56.74 2pfr s GLU 136 Cb -0.16 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.33 2pfr s GLU 136 CO 0.04 0.05 1.91 -0.11 -0.54 0.00 0.00 175.26 176.61 2pfr n LEU 137 N 0.63 4.87 -3.78 2.70 7.94 -0.32 -4.84 117.00 124.20 2pfr n LEU 137 Ca 0.02 -3.69 -0.28 0.00 -1.11 0.00 0.00 56.01 50.94 2pfr n LEU 137 Cb 0.47 -1.65 -0.16 0.00 0.53 0.00 0.00 43.42 42.60 2pfr n LEU 137 CO 0.50 -0.12 -0.38 -0.63 -1.11 0.00 0.00 177.39 175.65 2pfr s ILE 138 N 5.55 0.77 0.21 1.96 1.01 -1.26 -4.95 121.20 124.48 2pfr s ILE 138 Ca 0.56 -0.72 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 2pfr s ILE 138 Cb 0.06 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 41.22 2pfr s ILE 138 CO 0.06 -0.18 1.49 -0.55 0.00 0.00 0.00 174.94 175.76 2pfr s SER 139 N 1.75 6.63 0.00 3.58 0.15 -1.26 -3.12 113.70 121.43 2pfr s SER 139 Ca -0.02 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.25 2pfr s SER 139 Cb -0.17 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2pfr s SER 139 CO -0.07 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2pfr n GLY 140 N 2.91 0.84 3.62 9.45 0.00 -0.25 -4.99 105.19 116.77 2pfr n GLY 140 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2pfr n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pfr s LYS 141 N -0.11 4.09 0.17 1.61 2.20 -1.18 -5.03 119.74 121.49 2pfr s LYS 141 Ca 0.00 0.42 -0.33 0.00 -0.36 0.00 0.00 55.97 55.71 2pfr s LYS 141 Cb 0.00 -3.65 -0.13 0.00 -1.51 0.00 0.00 37.83 32.55 2pfr s LYS 141 CO 0.00 -0.37 1.69 -0.25 -0.36 0.00 0.00 175.35 176.07 2pfr n ASP 142 N 5.57 3.66 -3.65 1.43 8.00 -1.26 -4.51 116.55 125.79 2pfr n ASP 142 Ca -0.03 1.06 -0.27 0.00 0.71 0.00 0.00 54.79 56.26 2pfr n ASP 142 Cb 0.49 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.98 2pfr n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pfr n GLN 143 N 4.08 1.83 -1.77 -1.24 6.02 -0.06 -5.01 117.38 121.23 2pfr n GLN 143 Ca 0.17 -4.34 -0.42 0.00 -0.01 0.00 0.00 57.00 52.40 2pfr n GLN 143 Cb 0.33 -2.15 -0.02 0.00 1.02 0.00 0.00 30.24 29.42 2pfr n GLN 143 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2pfr s PRO 144 N -1.64 4.13 0.26 -1.09 0.02 -1.26 -1.94 135.00 133.47 2pfr s PRO 144 Ca 0.31 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.93 2pfr s PRO 144 Cb 0.04 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 2pfr s PRO 144 CO -0.12 -0.68 0.15 -0.65 -0.33 0.00 0.00 177.00 175.37 2pfr s GLN 145 N 0.33 1.42 0.18 5.54 -0.21 -0.07 -4.92 119.66 121.92 2pfr s GLN 145 Ca 0.69 -1.78 -0.13 0.00 0.02 0.00 0.00 55.36 54.15 2pfr s GLN 145 Cb -0.48 0.06 0.08 0.00 1.00 0.00 0.00 33.01 33.67 2pfr s GLN 145 CO 0.40 -0.42 1.84 0.28 -2.12 0.00 0.00 175.29 175.27 2pfr h VAL 146 N 2.40 1.16 -0.41 1.09 2.07 -1.99 -2.91 116.25 117.66 2pfr h VAL 146 Ca -0.35 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2pfr h VAL 146 Cb 1.25 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2pfr h VAL 146 CO 0.52 0.16 0.13 -0.65 0.02 0.00 0.00 177.57 177.75 2pfr h PRO 147 N 0.79 0.59 0.00 1.57 0.11 -1.97 -3.45 132.00 129.64 2pfr h PRO 147 Ca 0.21 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2pfr h PRO 147 Cb -0.07 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 30.94 2pfr h PRO 147 CO -0.04 0.51 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2pfr s ILE 149 N -2.00 4.76 0.23 0.00 1.01 -0.85 -0.89 121.20 123.45 2pfr s ILE 149 Ca 0.00 1.77 -0.17 0.00 0.00 0.00 0.00 60.65 62.26 2pfr s ILE 149 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 2pfr s ILE 149 CO 0.00 -0.13 0.68 -0.36 0.00 0.00 0.00 174.94 175.13 2pfr s PHE 150 N 3.02 3.55 -0.04 3.97 0.08 -0.82 0.27 117.98 128.02 2pfr s PHE 150 Ca 0.39 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.67 2pfr s PHE 150 Cb -0.15 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2pfr s PHE 150 CO 0.07 0.29 0.05 0.00 -0.10 0.00 0.00 175.22 175.52 2pfr s LEU 152 N 1.82 4.06 -0.04 0.00 1.43 -1.26 -0.89 118.68 123.81 2pfr s LEU 152 Ca 0.01 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2pfr s LEU 152 Cb -0.12 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2pfr s LEU 152 CO -0.03 0.21 -0.09 -0.89 0.23 0.00 0.00 176.35 175.78 2pfr s THR 153 N 0.19 0.79 -0.14 5.49 2.01 -0.50 -1.09 115.64 122.38 2pfr s THR 153 Ca 0.07 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 2pfr s THR 153 Cb -0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2pfr s THR 153 CO -0.01 0.26 0.10 -0.70 -0.69 0.00 0.00 174.62 173.59 2pfr s GLU 154 N 0.46 3.64 -0.09 4.92 -6.30 -1.26 0.03 118.70 120.10 2pfr s GLU 154 Ca -0.08 -0.23 -0.04 0.00 -2.50 0.00 0.00 54.97 52.13 2pfr s GLU 154 Cb -0.11 -3.19 0.05 0.00 0.00 0.00 0.00 34.13 30.87 2pfr s GLU 154 CO 0.01 0.57 0.19 -1.21 0.02 0.00 0.00 175.26 174.84 2pfr s GLU 155 N -0.44 0.10 -1.39 4.30 2.02 0.52 -4.91 118.70 118.91 2pfr s GLU 155 Ca 0.11 0.54 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 2pfr s GLU 155 Cb -0.12 -0.17 0.01 0.00 0.10 0.00 0.00 34.13 33.95 2pfr s GLU 155 CO 0.02 -0.24 0.21 0.54 0.02 0.00 0.00 175.26 175.81 2pfr n ARG 156 N 4.82 -2.84 -0.97 1.61 1.74 -1.26 -1.71 116.66 118.05 2pfr n ARG 156 Ca -0.15 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2pfr n ARG 156 Cb 0.51 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 2pfr n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pfr n GLY 157 N -1.07 0.50 3.55 -0.13 0.00 -1.26 -5.03 105.19 101.74 2pfr n GLY 157 Ca -0.14 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2pfr n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfr s ILE 158 N -2.00 3.67 -0.15 -0.61 1.01 -0.69 -4.72 121.20 117.71 2pfr s ILE 158 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2pfr s ILE 158 Cb 0.00 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2pfr s ILE 158 CO 0.00 0.57 0.06 0.26 0.00 0.00 0.00 174.94 175.83 2pfr s TRP 159 N -0.49 3.27 -0.14 3.97 0.52 0.14 -0.35 118.94 125.86 2pfr s TRP 159 Ca 0.07 0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.36 2pfr s TRP 159 Cb -0.12 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 2pfr s TRP 159 CO 0.02 0.31 -0.19 0.71 0.02 0.00 0.00 176.95 177.82 2pfr s TYR 160 N -0.15 2.71 -0.31 -1.98 2.02 0.10 -0.64 117.35 119.11 2pfr s TYR 160 Ca 0.07 -1.16 -0.10 0.00 -0.37 0.00 0.00 57.07 55.51 2pfr s TYR 160 Cb -0.12 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2pfr s TYR 160 CO 0.01 -0.52 0.16 -1.17 -1.57 0.00 0.00 175.55 172.47 2pfr s LEU 161 N 0.75 4.17 0.37 -1.29 2.96 0.30 -1.41 118.68 124.53 2pfr s LEU 161 Ca -0.08 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 2pfr s LEU 161 Cb -0.16 -2.02 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 2pfr s LEU 161 CO 0.00 -0.20 -0.04 -1.81 -1.32 0.00 0.00 176.35 172.98 2pfr s ASP 162 N 1.63 3.73 0.06 3.68 1.01 -0.07 -1.24 116.67 125.47 2pfr s ASP 162 Ca 0.05 -1.28 0.02 0.00 0.71 0.00 0.00 52.55 52.05 2pfr s ASP 162 Cb -0.17 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.37 2pfr s ASP 162 CO 0.07 -0.33 -0.08 0.00 0.21 0.00 0.00 175.17 175.04 2pfr s GLN 163 N -3.66 0.63 -0.26 8.23 -2.07 -0.21 -1.17 119.66 121.15 2pfr s GLN 163 Ca 0.34 -0.90 -0.01 0.00 -1.82 0.00 0.00 55.36 52.97 2pfr s GLN 163 Cb 0.06 -0.34 0.04 0.00 -1.09 0.00 0.00 33.01 31.68 2pfr s GLN 163 CO 0.17 0.05 -0.06 0.42 -1.32 0.00 0.00 175.29 174.55 2pfr s ILE 164 N -1.82 2.71 0.24 3.63 1.01 0.14 -1.78 121.20 125.33 2pfr s ILE 164 Ca -0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 2pfr s ILE 164 Cb -0.07 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 2pfr s ILE 164 CO -0.00 0.07 0.51 -0.13 0.00 0.00 0.00 174.94 175.39 2pfr s ARG 165 N 1.25 3.66 0.80 2.79 0.52 0.39 -2.02 118.95 126.34 2pfr s ARG 165 Ca -0.03 0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2pfr s ARG 165 Cb -0.18 -2.70 0.07 0.00 0.52 0.00 0.00 34.95 32.66 2pfr s ARG 165 CO -0.04 0.30 1.09 1.03 0.02 0.00 0.00 175.30 177.70 2pfr s ARG 166 N -3.21 2.08 0.91 3.54 0.52 -1.26 -4.75 118.95 116.78 2pfr s ARG 166 Ca 0.44 0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 56.30 2pfr s ARG 166 Cb -0.11 -1.91 0.14 0.00 0.52 0.00 0.00 34.95 33.60 2pfr s ARG 166 CO 0.27 -1.65 1.14 -1.83 0.02 0.00 0.00 175.30 173.24 2pfr s GLU 167 N -5.08 1.04 0.03 3.54 1.03 -1.26 -4.79 118.70 113.21 2pfr s GLU 167 Ca 0.61 1.47 0.02 0.00 0.03 0.00 0.00 54.97 57.10 2pfr s GLU 167 Cb -0.15 -1.74 -0.02 0.00 -0.80 0.00 0.00 34.13 31.42 2pfr s GLU 167 CO 0.55 -2.59 -0.07 1.14 -1.33 0.00 0.00 175.26 172.95 2pfr s GLN 168 N -4.67 0.52 -0.15 -4.83 -2.07 -1.26 -0.79 119.66 106.41 2pfr s GLN 168 Ca 0.66 -0.60 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 2pfr s GLN 168 Cb -0.22 -0.36 0.01 0.00 -1.09 0.00 0.00 33.01 31.35 2pfr s GLN 168 CO 0.58 0.08 -0.21 -0.47 -1.32 0.00 0.00 175.29 173.95 2pfr s TYR 169 N -1.01 2.70 -0.31 9.60 5.04 0.46 -4.91 117.35 128.92 2pfr s TYR 169 Ca -0.06 -1.34 -0.15 0.00 -2.44 0.00 0.00 57.07 53.08 2pfr s TYR 169 Cb -0.08 -1.84 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 2pfr s TYR 169 CO 0.00 -0.62 0.38 0.42 -1.34 0.00 0.00 175.55 174.40 2pfr s ILE 170 N 0.88 5.16 0.07 3.14 -1.09 -1.26 -0.11 121.20 127.99 2pfr s ILE 170 Ca -0.05 0.33 -0.16 0.00 -2.23 0.00 0.00 60.65 58.54 2pfr s ILE 170 Cb -0.15 -3.77 -0.15 0.00 -1.58 0.00 0.00 42.46 36.81 2pfr s ILE 170 CO -0.03 0.02 1.30 0.71 -1.23 0.00 0.00 174.94 175.71 2pfr h THR 171 N 5.47 1.33 -3.48 2.92 1.35 -1.59 -3.41 112.91 115.50 2pfr h THR 171 Ca -0.31 -1.76 -0.60 0.00 -0.55 0.00 0.00 66.41 63.20 2pfr h THR 171 Cb 1.15 1.97 -0.10 0.00 -1.73 0.00 0.00 68.15 69.44 2pfr h THR 171 CO 0.68 0.54 0.64 0.20 -0.25 0.00 0.00 175.52 177.33 2pfr s ASN 172 N -6.75 6.45 0.53 5.36 -0.87 -1.26 -4.95 114.94 113.45 2pfr s ASN 172 Ca -0.12 -0.01 0.35 0.00 -1.57 0.00 0.00 52.86 51.52 2pfr s ASN 172 Cb 0.07 -2.46 1.70 0.00 -0.02 0.00 0.00 41.25 40.53 2pfr s ASN 172 CO 0.85 -1.16 2.06 0.11 -2.57 0.00 0.00 177.10 176.38 2pfr h LYS 173 N 9.21 0.00 0.00 -0.60 6.56 -1.97 -2.29 116.57 127.48 2pfr h LYS 173 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 2pfr h LYS 173 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2pfr h LYS 173 CO 1.07 0.00 0.00 1.05 -2.06 0.00 0.00 179.45 179.51 2pfr h GLU 174 N 0.00 0.00 -0.45 3.15 -0.00 -1.96 -3.16 114.58 112.15 2pfr h GLU 174 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 2pfr h GLU 174 Cb 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.94 2pfr h GLU 174 CO 0.00 0.00 0.07 1.19 -0.00 0.00 0.00 179.01 180.27 2pfr n PHE 175 N -2.64 1.55 -0.04 2.06 3.72 -0.86 -4.66 117.46 116.59 2pfr n PHE 175 Ca 0.03 -1.07 -0.09 0.00 -0.05 0.00 0.00 57.45 56.27 2pfr n PHE 175 Cb 0.35 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.39 2pfr n PHE 175 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2pfr h LEU 176 N 2.20 0.03 -3.42 4.37 5.85 -1.68 -3.01 115.31 119.65 2pfr h LEU 176 Ca 0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2pfr h LEU 176 Cb 1.81 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2pfr h LEU 176 CO 0.43 0.05 0.00 0.59 -0.34 0.00 0.00 178.44 179.17 2pfr n ASN 177 N -5.07 5.36 -4.53 1.25 3.02 -1.26 -5.02 115.26 109.01 2pfr n ASN 177 Ca -0.02 -2.79 -0.42 0.00 -0.03 0.00 0.00 54.58 51.32 2pfr n ASN 177 Cb 0.09 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2pfr n ASN 177 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2pfr n SER 178 N 0.73 0.17 0.00 6.41 2.88 -1.14 -4.88 113.62 117.79 2pfr n SER 178 Ca 0.27 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.96 2pfr n SER 178 Cb 1.09 -1.21 0.84 0.00 -0.75 0.00 0.00 64.21 64.17 2pfr n SER 178 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pfr n HIS 179 N -0.54 0.00 1.11 0.66 1.44 -1.26 -3.31 115.22 113.32 2pfr n HIS 179 Ca 0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 2pfr n HIS 179 Cb 0.37 -0.14 0.61 0.00 0.12 0.00 0.00 29.99 30.95 2pfr n HIS 179 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2pfr n LEU 180 N -1.14 0.08 -4.71 2.39 4.77 -1.26 -4.51 117.00 112.62 2pfr n LEU 180 Ca 0.19 0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 56.19 2pfr n LEU 180 Cb 0.17 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 2pfr n LEU 180 CO 0.20 0.02 -0.15 -0.76 -1.33 0.00 0.00 177.39 175.37 2pfr s LEU 181 N -2.88 4.19 0.24 2.23 1.43 -1.21 -0.35 118.68 122.32 2pfr s LEU 181 Ca 0.18 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 2pfr s LEU 181 Cb 0.19 -2.14 -0.15 0.00 0.03 0.00 0.00 46.19 44.12 2pfr s LEU 181 CO 0.53 0.13 1.09 -2.65 0.23 0.00 0.00 176.35 175.68 2pfr n PRO 182 N 3.77 1.31 -0.27 1.29 -0.02 -1.26 -4.89 135.00 134.93 2pfr n PRO 182 Ca -0.15 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 2pfr n PRO 182 Cb 0.52 -1.90 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 2pfr n PRO 182 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2pfr h LYS 183 N 2.70 1.00 -4.43 -0.52 -0.00 -1.96 -3.47 116.57 109.90 2pfr h LYS 183 Ca -0.41 -0.09 -0.19 0.00 -0.00 0.00 0.00 60.65 59.96 2pfr h LYS 183 Cb 1.34 -0.21 -0.15 0.00 -0.00 0.00 0.00 32.23 33.21 2pfr h LYS 183 CO 0.65 0.71 -0.64 -1.59 -0.00 0.00 0.00 179.45 178.59 2pfr s LYS 184 N -5.98 0.95 0.00 0.07 -2.85 -1.26 -5.07 119.74 105.61 2pfr s LYS 184 Ca -0.13 -1.45 -0.22 0.00 -1.00 0.00 0.00 55.97 53.18 2pfr s LYS 184 Cb 0.15 0.25 -0.19 0.00 -2.06 0.00 0.00 37.83 35.98 2pfr s LYS 184 CO 0.79 -0.27 1.20 1.57 0.10 0.00 0.00 175.35 178.73 2pfr h LYS 185 N 2.84 0.31 -5.86 1.78 2.10 -1.91 -3.40 116.57 112.42 2pfr h LYS 185 Ca -0.35 -0.23 -0.61 0.00 -2.00 0.00 0.00 60.65 57.46 2pfr h LYS 185 Cb 1.20 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 32.45 2pfr h LYS 185 CO 0.58 0.86 0.54 -1.01 -2.00 0.00 0.00 179.45 178.43 2pfr s HIS 186 N -3.73 2.82 -0.11 0.07 3.76 -1.26 -0.46 115.29 116.38 2pfr s HIS 186 Ca -0.14 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2pfr s HIS 186 Cb 0.03 -4.03 0.02 0.00 1.11 0.00 0.00 32.58 29.71 2pfr s HIS 186 CO 0.76 -1.30 -0.15 -1.14 -0.85 0.00 0.00 174.74 172.06 2pfr s GLN 187 N 3.86 2.17 0.21 1.40 2.00 -0.73 -5.01 119.66 123.57 2pfr s GLN 187 Ca 0.31 -0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 52.83 2pfr s GLN 187 Cb -0.12 -1.88 -0.08 0.00 0.80 0.00 0.00 33.01 31.72 2pfr s GLN 187 CO 0.20 -0.09 1.21 0.15 -0.50 0.00 0.00 175.29 176.26 2pfr s LYS 188 N 1.06 4.49 -0.09 1.67 1.02 -1.26 -1.04 119.74 125.58 2pfr s LYS 188 Ca -0.05 1.91 -0.11 0.00 0.02 0.00 0.00 55.97 57.74 2pfr s LYS 188 Cb -0.15 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2pfr s LYS 188 CO -0.03 -0.08 -0.22 -0.89 -0.92 0.00 0.00 175.35 173.22 2pfr n ILE 189 N 2.23 1.21 -3.84 2.17 5.41 -0.37 -4.76 119.36 121.41 2pfr n ILE 189 Ca 0.04 0.24 -0.07 0.00 1.00 0.00 0.00 62.75 63.95 2pfr n ILE 189 Cb 0.44 -2.03 -0.00 0.00 -0.71 0.00 0.00 39.64 37.34 2pfr n ILE 189 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2pfr s TYR 190 N -2.41 -0.07 0.16 1.39 -0.85 -1.10 -1.26 117.35 113.20 2pfr s TYR 190 Ca -0.18 -0.46 0.06 0.00 -0.52 0.00 0.00 57.07 55.97 2pfr s TYR 190 Cb 0.02 0.75 -0.04 0.00 0.38 0.00 0.00 41.96 43.08 2pfr s TYR 190 CO 0.27 -1.34 -0.13 -0.48 -1.52 0.00 0.00 175.55 172.35 2pfr s LEU 191 N -2.98 2.50 0.32 -3.49 0.05 -0.58 -0.53 118.68 113.96 2pfr s LEU 191 Ca 0.13 -0.95 -0.16 0.00 0.05 0.00 0.00 54.13 53.20 2pfr s LEU 191 Cb -0.05 -0.51 0.03 0.00 -2.05 0.00 0.00 46.19 43.60 2pfr s LEU 191 CO 0.08 -0.23 0.68 0.72 -0.55 0.00 0.00 176.35 177.05 2pfr s PHE 192 N -2.86 0.15 0.29 3.48 -0.12 0.19 -0.83 117.98 118.28 2pfr s PHE 192 Ca 0.16 -0.64 0.05 0.00 -0.05 0.00 0.00 56.93 56.44 2pfr s PHE 192 Cb -0.01 0.58 -0.06 0.00 -0.63 0.00 0.00 43.02 42.90 2pfr s PHE 192 CO 0.03 -1.30 0.01 0.95 -0.05 0.00 0.00 175.22 174.86 2pfr s THR 193 N -3.28 1.29 -2.06 -4.49 -4.23 -1.24 -0.69 115.64 100.93 2pfr s THR 193 Ca 0.17 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2pfr s THR 193 Cb -0.04 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.51 2pfr s THR 193 CO 0.10 -0.17 1.33 0.18 -0.54 0.00 0.00 174.62 175.53 2pfr n LEU 194 N -0.60 1.16 -4.66 4.79 4.77 -1.26 -4.51 117.00 116.70 2pfr n LEU 194 Ca -0.04 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 2pfr n LEU 194 Cb 0.65 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2pfr n LEU 194 CO 0.40 0.27 1.40 -0.70 -1.33 0.00 0.00 177.39 177.44 2pfr s GLU 195 N -1.76 4.12 0.29 3.23 2.12 -1.26 -4.94 118.70 120.50 2pfr s GLU 195 Ca 0.21 2.18 -0.30 0.00 0.36 0.00 0.00 54.97 57.42 2pfr s GLU 195 Cb 0.11 -4.02 -0.12 0.00 0.26 0.00 0.00 34.13 30.36 2pfr s GLU 195 CO 0.16 -0.92 1.57 -2.30 -0.54 0.00 0.00 175.26 173.22 2pfr n PRO 196 N 7.25 2.61 -4.45 4.30 -0.02 -1.26 -4.51 135.00 138.91 2pfr n PRO 196 Ca 0.18 0.93 -0.24 0.00 -2.02 0.00 0.00 63.50 62.35 2pfr n PRO 196 Cb 0.43 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 2pfr n PRO 196 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pfr s ARG 197 N -0.53 1.73 0.35 -0.52 1.81 -0.14 -5.03 118.95 116.62 2pfr s ARG 197 Ca 0.64 -1.74 0.08 0.00 -1.72 0.00 0.00 55.73 53.00 2pfr s ARG 197 Cb -0.52 -1.80 -0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2pfr s ARG 197 CO 0.49 0.33 0.09 0.95 -0.68 0.00 0.00 175.30 176.49 2pfr s THR 198 N -2.48 2.76 0.50 0.02 -4.23 -1.26 -4.31 115.64 106.64 2pfr s THR 198 Ca 0.30 -1.81 0.17 0.00 -1.18 0.00 0.00 61.69 59.17 2pfr s THR 198 Cb -0.05 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.14 2pfr s THR 198 CO 0.15 -0.16 2.11 -0.29 -0.54 0.00 0.00 174.62 175.89 2pfr h ILE 199 N 1.64 0.98 -0.34 2.99 6.09 -2.01 -1.75 117.51 125.11 2pfr h ILE 199 Ca -0.43 -0.19 0.08 0.00 -1.37 0.00 0.00 64.86 62.94 2pfr h ILE 199 Cb 1.25 1.11 -0.02 0.00 0.47 0.00 0.00 36.82 39.63 2pfr h ILE 199 CO 0.66 0.05 0.24 -0.33 -3.07 0.00 0.00 178.15 175.70 2pfr h GLU 200 N 0.00 0.10 0.00 2.19 3.07 -2.00 -0.23 114.58 117.71 2pfr h GLU 200 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2pfr h GLU 200 Cb 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2pfr h GLU 200 CO 0.01 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 2pfr n ASP 201 N -4.46 0.00 -0.32 1.42 8.00 -0.66 -2.59 116.55 117.94 2pfr n ASP 201 Ca 0.05 0.27 0.03 0.00 0.71 0.00 0.00 54.79 55.85 2pfr n ASP 201 Cb 0.35 -0.37 0.07 0.00 -0.02 0.00 0.00 41.12 41.15 2pfr n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pfr n PHE 202 N -1.37 0.18 -0.03 1.24 3.72 -0.10 -4.75 117.46 116.36 2pfr n PHE 202 Ca 0.04 -0.37 -0.13 0.00 -0.05 0.00 0.00 57.45 56.95 2pfr n PHE 202 Cb 0.10 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 2pfr n PHE 202 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2pfr h GLU 203 N 1.12 0.15 -0.67 -1.08 5.08 -1.55 -0.23 114.58 117.41 2pfr h GLU 203 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2pfr h GLU 203 Cb 0.53 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2pfr h GLU 203 CO 0.00 0.53 0.30 1.03 -1.00 0.00 0.00 179.01 179.88 2pfr h SER 204 N -0.23 0.88 -0.80 1.42 0.87 -1.86 -3.02 113.55 110.81 2pfr h SER 204 Ca 0.02 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2pfr h SER 204 Cb 0.49 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2pfr h SER 204 CO 0.01 0.78 0.43 0.24 -0.53 0.00 0.00 176.83 177.76 2pfr h MET 205 N 0.93 1.13 -0.46 2.24 2.86 -1.82 -1.04 114.93 118.77 2pfr h MET 205 Ca 0.23 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2pfr h MET 205 Cb 0.14 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2pfr h MET 205 CO -0.03 0.84 0.23 -0.97 1.06 0.00 0.00 176.91 178.04 2pfr h ASN 206 N 1.13 0.32 -0.14 1.22 -1.24 -0.92 0.15 115.58 116.11 2pfr h ASN 206 Ca 0.28 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 2pfr h ASN 206 Cb 0.05 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2pfr h ASN 206 CO -0.04 0.23 0.03 0.74 -1.29 0.00 0.00 177.43 177.09 2pfr h THR 207 N 0.45 1.21 -0.88 -3.57 2.02 -1.39 -3.12 112.91 107.63 2pfr h THR 207 Ca 0.20 -0.68 0.16 0.00 0.77 0.00 0.00 66.41 66.86 2pfr h THR 207 Cb 0.12 1.39 -0.10 0.00 -1.74 0.00 0.00 68.15 67.82 2pfr h THR 207 CO -0.15 0.20 0.47 0.22 0.37 0.00 0.00 175.52 176.63 2pfr h TYR 208 N 0.02 0.83 0.00 3.16 3.20 -0.90 -1.15 116.97 122.12 2pfr h TYR 208 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2pfr h TYR 208 Cb 0.28 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2pfr h TYR 208 CO 0.01 0.19 0.00 -0.07 -1.64 0.00 0.00 178.16 176.65 2pfr h LEU 209 N 0.65 0.00 -0.02 2.82 3.38 -0.93 0.13 115.31 121.34 2pfr h LEU 209 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2pfr h LEU 209 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2pfr h LEU 209 CO -0.37 0.00 -0.58 0.00 0.09 0.00 0.00 178.44 177.57 2pfr n GLN 210 N -2.78 0.03 0.00 1.13 6.02 -0.49 -4.56 117.38 116.72 2pfr n GLN 210 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2pfr n GLN 210 Cb 0.35 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2pfr n GLN 210 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pfr n THR 211 N -1.47 0.00 -1.80 5.09 -2.24 -0.86 -4.96 114.28 108.04 2pfr n THR 211 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 2pfr n THR 211 Cb 0.34 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 2pfr n THR 211 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pfr s SER 212 N -2.80 6.38 0.26 3.42 0.15 0.42 -4.87 113.70 116.67 2pfr s SER 212 Ca 0.00 2.96 0.20 0.00 0.70 0.00 0.00 55.95 59.81 2pfr s SER 212 Cb 0.00 -2.64 0.99 0.00 -1.71 0.00 0.00 66.02 62.66 2pfr s SER 212 CO 0.00 -0.89 1.61 -0.81 1.20 0.00 0.00 173.24 174.35 2pfr n PRO 213 N 1.74 0.14 0.09 5.44 -0.04 -1.26 -1.42 135.00 139.69 2pfr n PRO 213 Ca 0.06 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 2pfr n PRO 213 Cb 0.38 -1.88 0.39 0.00 -0.04 0.00 0.00 33.50 32.35 2pfr n PRO 213 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pfr n THR 214 N -2.16 0.52 -2.42 0.52 -2.24 -1.26 -4.86 114.28 102.38 2pfr n THR 214 Ca -0.00 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2pfr n THR 214 Cb 0.10 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 2pfr n THR 214 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pfr s SER 215 N -4.38 6.71 0.46 3.42 0.15 -0.51 -4.90 113.70 114.65 2pfr s SER 215 Ca 0.10 1.27 0.31 0.00 0.70 0.00 0.00 55.95 58.34 2pfr s SER 215 Cb 0.13 -2.54 1.46 0.00 -1.71 0.00 0.00 66.02 63.36 2pfr s SER 215 CO 0.61 -1.04 1.94 0.28 1.20 0.00 0.00 173.24 176.23 2pfr h SER 216 N 9.15 0.00 0.84 5.45 0.02 -1.89 -2.54 113.55 124.58 2pfr h SER 216 Ca -0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2pfr h SER 216 Cb 1.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2pfr h SER 216 CO 1.02 0.00 -0.10 -0.26 -1.14 0.00 0.00 176.83 176.35 2pfr h PHE 217 N 0.00 0.00 0.06 3.45 0.04 -1.84 -1.69 116.94 116.97 2pfr h PHE 217 Ca 0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 2pfr h PHE 217 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2pfr h PHE 217 CO 0.00 0.10 -1.14 0.82 -0.60 0.00 0.00 178.31 177.49 2pfr h ILE 218 N 0.00 1.59 -0.18 -0.55 2.04 -1.69 -3.33 117.51 115.38 2pfr h ILE 218 Ca -0.00 -3.23 0.00 0.00 1.00 0.00 0.00 64.86 62.63 2pfr h ILE 218 Cb 0.55 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2pfr h ILE 218 CO 0.01 0.93 0.00 0.35 0.00 0.00 0.00 178.15 179.44 2pfr n THR 219 N -3.43 0.30 -3.75 -0.27 -2.24 -1.14 -4.93 114.28 98.82 2pfr n THR 219 Ca -0.05 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 2pfr n THR 219 Cb 0.98 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 70.16 2pfr n THR 219 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pfr s THR 220 N -1.35 0.04 -0.12 4.28 2.01 -0.65 -3.17 115.64 116.68 2pfr s THR 220 Ca 0.26 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.34 2pfr s THR 220 Cb 0.16 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 2pfr s THR 220 CO 0.23 0.18 0.59 -0.94 -0.69 0.00 0.00 174.62 173.99 2pfr s SER 221 N 1.78 6.79 -0.10 3.53 1.04 -1.01 -4.63 113.70 121.11 2pfr s SER 221 Ca 0.00 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 2pfr s SER 221 Cb -0.12 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2pfr s SER 221 CO -0.03 -0.10 0.23 0.12 0.98 0.00 0.00 173.24 174.44 2pfr s PHE 222 N 0.95 -0.30 -0.02 5.02 5.36 -1.26 -1.30 117.98 126.43 2pfr s PHE 222 Ca 0.31 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 2pfr s PHE 222 Cb -0.16 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 2pfr s PHE 222 CO 0.13 -0.21 -0.00 0.00 -1.46 0.00 0.00 175.22 173.68 2pfr s SER 224 N 0.75 0.86 -0.11 0.00 1.04 0.94 -1.13 113.70 116.04 2pfr s SER 224 Ca -0.07 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 2pfr s SER 224 Cb -0.10 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.10 2pfr s SER 224 CO -0.01 -0.24 0.26 -0.22 0.98 0.00 0.00 173.24 174.00 2pfr s LEU 225 N -1.74 0.57 0.07 2.42 2.96 0.11 -1.37 118.68 121.70 2pfr s LEU 225 Ca -0.08 0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 54.18 2pfr s LEU 225 Cb -0.08 0.80 -0.07 0.00 0.50 0.00 0.00 46.19 47.35 2pfr s LEU 225 CO -0.00 -0.14 0.56 -1.10 -1.32 0.00 0.00 176.35 174.34 2pfr s GLN 226 N 0.93 4.19 0.36 1.98 -1.52 -0.99 -1.27 119.66 123.34 2pfr s GLN 226 Ca -0.07 0.72 0.09 0.00 -1.95 0.00 0.00 55.36 54.15 2pfr s GLN 226 Cb -0.08 -3.24 -0.06 0.00 -0.22 0.00 0.00 33.01 29.41 2pfr s GLN 226 CO -0.06 0.64 0.00 0.95 -0.25 0.00 0.00 175.29 176.57 2pfr s THR 227 N -1.09 2.35 0.37 -0.19 -4.23 0.13 -4.17 115.64 108.81 2pfr s THR 227 Ca 0.29 -2.01 0.36 0.00 -1.18 0.00 0.00 61.69 59.14 2pfr s THR 227 Cb -0.19 -2.82 0.36 0.00 1.34 0.00 0.00 72.50 71.18 2pfr s THR 227 CO 0.19 -0.13 2.09 -0.65 -0.54 0.00 0.00 174.62 175.57 2pfr h PRO 228 N 1.82 0.00 -0.00 3.99 0.11 -1.98 -2.78 132.00 133.16 2pfr h PRO 228 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pfr h PRO 228 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2pfr h PRO 228 CO 0.71 0.00 -0.01 0.39 -0.21 0.00 0.00 178.00 178.88 2pfr n GLU 229 N -2.77 0.48 -2.59 1.05 4.71 -1.26 -5.09 120.64 115.16 2pfr n GLU 229 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 57.16 56.62 2pfr n GLU 229 Cb 0.08 -0.96 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 2pfr n GLU 229 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pfr n GLY 230 N 0.26 -0.59 2.88 0.62 0.00 -1.05 -1.38 105.19 105.93 2pfr n GLY 230 Ca 0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2pfr n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pfr s VAL 231 N -3.15 0.34 -0.13 1.61 1.01 -0.18 0.19 120.40 120.10 2pfr s VAL 231 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 2pfr s VAL 231 Cb 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2pfr s VAL 231 CO 0.00 0.16 0.37 -0.31 0.00 0.00 0.00 175.10 175.32 2pfr s TYR 232 N 0.69 3.51 -0.04 5.22 2.02 -0.40 -0.67 117.35 127.69 2pfr s TYR 232 Ca -0.08 0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 57.35 2pfr s TYR 232 Cb -0.11 -2.40 0.03 0.00 -0.40 0.00 0.00 41.96 39.08 2pfr s TYR 232 CO -0.01 0.27 0.06 0.00 -1.57 0.00 0.00 175.55 174.31 2pfr s LEU 234 N 1.68 3.75 -0.32 0.00 2.96 -0.29 -0.89 118.68 125.57 2pfr s LEU 234 Ca -0.02 -0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2pfr s LEU 234 Cb -0.12 -1.83 0.06 0.00 0.50 0.00 0.00 46.19 44.80 2pfr s LEU 234 CO -0.03 -0.19 0.04 -0.69 -1.32 0.00 0.00 176.35 174.16 2pfr s VAL 235 N 1.45 3.03 0.00 1.68 1.01 -0.82 -1.90 120.40 124.86 2pfr s VAL 235 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.47 2pfr s VAL 235 Cb -0.17 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2pfr s VAL 235 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2pfr n GLY 236 N 4.61 2.04 0.59 4.51 0.00 -0.42 -2.13 105.19 114.39 2pfr n GLY 236 Ca -0.11 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2pfr n GLY 236 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pfr n PHE 237 N 4.16 0.00 -3.25 1.61 3.72 -1.26 -4.72 117.46 117.73 2pfr n PHE 237 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2pfr n PHE 237 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 2pfr n PHE 237 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2pfr s ILE 238 N -1.24 5.01 -0.09 4.37 -1.09 -0.91 0.25 121.20 127.50 2pfr s ILE 238 Ca 0.17 0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.50 2pfr s ILE 238 Cb 0.12 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 2pfr s ILE 238 CO 0.19 -0.35 0.43 -0.22 -1.23 0.00 0.00 174.94 173.75 2pfr s LEU 239 N 2.39 4.33 0.09 2.97 2.96 0.38 -1.94 118.68 129.85 2pfr s LEU 239 Ca 0.17 0.81 0.07 0.00 -0.22 0.00 0.00 54.13 54.96 2pfr s LEU 239 Cb -0.16 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2pfr s LEU 239 CO 0.15 0.11 -0.18 0.42 -1.32 0.00 0.00 176.35 175.53 2pfr s THR 240 N 0.11 1.45 -0.03 3.68 -4.23 -0.07 -0.30 115.64 116.26 2pfr s THR 240 Ca 0.24 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2pfr s THR 240 Cb -0.15 -1.35 0.01 0.00 1.34 0.00 0.00 72.50 72.35 2pfr s THR 240 CO 0.10 -0.14 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.53 2pfr s TYR 241 N -1.23 0.61 -0.17 3.99 5.04 -0.49 -2.03 117.35 123.09 2pfr s TYR 241 Ca 0.03 -0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.51 2pfr s TYR 241 Cb -0.10 -0.52 -0.01 0.00 0.35 0.00 0.00 41.96 41.68 2pfr s TYR 241 CO 0.03 -0.12 -0.11 0.50 -1.34 0.00 0.00 175.55 174.51 2pfr s ARG 242 N 0.58 3.32 -0.29 4.97 3.52 0.16 -0.22 118.95 130.99 2pfr s ARG 242 Ca -0.07 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.73 2pfr s ARG 242 Cb -0.11 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2pfr s ARG 242 CO -0.00 0.01 0.19 0.21 -0.81 0.00 0.00 175.30 174.91 2pfr s LYS 243 N 0.87 3.90 0.08 5.12 2.20 0.17 -1.01 119.74 131.07 2pfr s LYS 243 Ca -0.03 -0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 2pfr s LYS 243 Cb -0.15 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2pfr s LYS 243 CO 0.00 -0.21 1.26 -0.06 -0.36 0.00 0.00 175.35 175.98 2pfr s PHE 244 N 1.76 3.37 -1.03 4.03 0.08 -0.48 -0.82 117.98 124.89 2pfr s PHE 244 Ca 0.07 1.19 -0.14 0.00 0.12 0.00 0.00 56.93 58.16 2pfr s PHE 244 Cb -0.16 -3.51 -0.01 0.00 -0.57 0.00 0.00 43.02 38.77 2pfr s PHE 244 CO 0.11 -1.65 0.77 -1.71 -0.10 0.00 0.00 175.22 172.64 2pfr n ASN 245 N 3.91 -5.76 -0.02 1.36 5.15 -1.19 -4.91 115.26 113.80 2pfr n ASN 245 Ca 0.10 -0.85 -0.17 0.00 -0.60 0.00 0.00 54.58 53.05 2pfr n ASN 245 Cb 0.45 -3.60 -0.08 0.00 -0.53 0.00 0.00 39.78 36.02 2pfr n ASN 245 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2pfr h TYR 246 N -1.30 0.97 -1.68 1.20 -0.00 -0.36 -3.46 116.97 112.35 2pfr h TYR 246 Ca -0.56 -0.43 0.08 0.00 0.00 0.00 0.00 58.73 57.82 2pfr h TYR 246 Cb 1.31 -0.15 -0.25 0.00 0.00 0.00 0.00 36.73 37.64 2pfr h TYR 246 CO 0.30 1.25 0.28 -1.59 -0.00 0.00 0.00 178.16 178.40 2pfr s LYS 247 N -3.70 0.49 -0.94 0.10 -2.85 -1.20 -5.01 119.74 106.63 2pfr s LYS 247 Ca -0.11 0.82 -0.01 0.00 -1.00 0.00 0.00 55.97 55.67 2pfr s LYS 247 Cb 0.08 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2pfr s LYS 247 CO 0.88 -0.10 0.79 -0.25 0.10 0.00 0.00 175.35 176.77 2pfr n ASP 248 N 3.76 -2.39 -4.05 0.03 8.00 -1.26 -3.13 116.55 117.51 2pfr n ASP 248 Ca -0.19 -0.47 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 2pfr n ASP 248 Cb 0.58 -4.07 -0.02 0.00 -0.02 0.00 0.00 41.12 37.59 2pfr n ASP 248 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2pfr n ASN 249 N -2.58 -1.69 -3.92 -2.24 0.23 -1.26 -4.96 115.26 98.84 2pfr n ASN 249 Ca -0.20 -0.99 -0.17 0.00 -0.53 0.00 0.00 54.58 52.69 2pfr n ASN 249 Cb 0.62 -3.01 -0.15 0.00 -2.08 0.00 0.00 39.78 35.17 2pfr n ASN 249 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2pfr s THR 250 N -3.68 0.39 0.41 5.53 2.01 -1.18 -4.04 115.64 115.07 2pfr s THR 250 Ca 0.31 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 2pfr s THR 250 Cb -0.17 -0.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 2pfr s THR 250 CO 0.90 0.14 0.83 -1.81 -0.69 0.00 0.00 174.62 173.99 2pfr s ASP 251 N 0.23 6.69 -0.20 3.53 1.01 0.03 0.22 116.67 128.18 2pfr s ASP 251 Ca -0.02 1.36 -0.03 0.00 0.71 0.00 0.00 52.55 54.56 2pfr s ASP 251 Cb -0.06 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 2pfr s ASP 251 CO -0.00 -0.37 -0.05 -1.48 0.21 0.00 0.00 175.17 173.47 2pfr s LEU 252 N -3.52 2.97 -0.20 1.23 2.34 0.00 -0.41 118.68 121.10 2pfr s LEU 252 Ca 0.55 -0.32 0.01 0.00 0.06 0.00 0.00 54.13 54.44 2pfr s LEU 252 Cb -0.10 -1.74 0.03 0.00 -0.56 0.00 0.00 46.19 43.82 2pfr s LEU 252 CO 0.24 0.04 -0.16 -0.69 -1.06 0.00 0.00 176.35 174.73 2pfr s VAL 253 N 1.09 1.96 -0.10 1.48 1.01 0.84 0.46 120.40 127.15 2pfr s VAL 253 Ca 0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 2pfr s VAL 253 Cb -0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2pfr s VAL 253 CO -0.00 0.34 0.30 -1.61 0.00 0.00 0.00 175.10 174.13 2pfr s GLU 254 N 1.29 3.96 -0.04 2.72 2.02 0.69 -1.30 118.70 128.03 2pfr s GLU 254 Ca 0.01 0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.20 2pfr s GLU 254 Cb -0.15 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 2pfr s GLU 254 CO -0.10 0.51 -0.18 -0.06 0.02 0.00 0.00 175.26 175.44 2pfr s PHE 255 N -0.38 2.58 -0.17 1.61 0.08 -1.26 -1.39 117.98 119.05 2pfr s PHE 255 Ca 0.19 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2pfr s PHE 255 Cb -0.14 -1.60 0.08 0.00 -0.57 0.00 0.00 43.02 40.80 2pfr s PHE 255 CO 0.07 0.09 0.22 0.21 -0.10 0.00 0.00 175.22 175.70 2pfr s LYS 256 N -0.63 0.16 -0.34 0.44 2.20 0.59 -4.75 119.74 117.41 2pfr s LYS 256 Ca 0.09 0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 2pfr s LYS 256 Cb -0.11 -0.88 -0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2pfr s LYS 256 CO 0.00 -0.54 1.62 0.99 -0.36 0.00 0.00 175.35 177.06 2pfr s THR 257 N 2.34 3.68 0.49 3.43 2.01 -1.26 -0.47 115.64 125.85 2pfr s THR 257 Ca 0.05 0.70 -0.16 0.00 0.31 0.00 0.00 61.69 62.60 2pfr s THR 257 Cb -0.15 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 2pfr s THR 257 CO -0.11 -0.51 0.95 -0.76 -0.69 0.00 0.00 174.62 173.50 2pfr s LEU 258 N 6.03 3.66 0.78 4.42 1.43 0.14 -4.99 118.68 130.16 2pfr s LEU 258 Ca 0.72 1.50 -0.06 0.00 -1.03 0.00 0.00 54.13 55.25 2pfr s LEU 258 Cb -0.20 -4.42 0.13 0.00 0.03 0.00 0.00 46.19 41.73 2pfr s LEU 258 CO 0.32 -0.55 1.09 0.42 0.23 0.00 0.00 176.35 177.86 2pfr s THR 259 N -2.57 2.15 0.19 5.49 -4.23 -1.26 -4.86 115.64 110.55 2pfr s THR 259 Ca 0.58 -0.35 0.16 0.00 -1.18 0.00 0.00 61.69 60.89 2pfr s THR 259 Cb -0.10 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 71.02 2pfr s THR 259 CO 0.31 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.74 2pfr h GLU 260 N -0.84 0.00 0.18 3.99 5.08 -1.98 -1.09 114.58 119.91 2pfr h GLU 260 Ca -0.41 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.64 2pfr h GLU 260 Cb 1.27 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.55 2pfr h GLU 260 CO 0.45 0.46 -1.35 0.93 -1.00 0.00 0.00 179.01 178.50 2pfr h GLU 261 N 0.00 0.53 0.00 2.33 4.39 -2.02 -3.22 114.58 116.59 2pfr h GLU 261 Ca -0.00 -0.81 0.00 0.00 0.34 0.00 0.00 59.36 58.89 2pfr h GLU 261 Cb 0.98 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2pfr h GLU 261 CO 0.06 1.38 0.00 0.93 -1.16 0.00 0.00 179.01 180.22 2pfr h GLU 262 N 0.19 0.00 0.16 2.33 5.08 -1.86 -2.61 114.58 117.87 2pfr h GLU 262 Ca -0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2pfr h GLU 262 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2pfr h GLU 262 CO 0.25 0.00 -0.08 0.28 -1.00 0.00 0.00 179.01 178.46 2pfr h VAL 263 N 0.00 0.96 -0.71 3.13 2.07 -1.22 -3.07 116.25 117.41 2pfr h VAL 263 Ca 0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2pfr h VAL 263 Cb 0.23 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2pfr h VAL 263 CO 0.00 0.20 0.38 -0.08 0.02 0.00 0.00 177.57 178.09 2pfr h GLU 264 N -0.68 0.99 0.26 1.57 4.81 -1.56 -1.52 114.58 118.44 2pfr h GLU 264 Ca -0.02 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2pfr h GLU 264 Cb 0.49 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2pfr h GLU 264 CO 0.04 0.73 -0.13 0.93 -0.73 0.00 0.00 179.01 179.85 2pfr h GLU 265 N 0.99 -0.34 -0.78 1.92 5.08 -1.66 -2.73 114.58 117.07 2pfr h GLU 265 Ca 0.25 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pfr h GLU 265 Cb 0.03 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2pfr h GLU 265 CO -0.04 -0.10 0.48 0.28 -1.00 0.00 0.00 179.01 178.63 2pfr h VAL 266 N -0.54 1.21 -0.99 3.13 2.07 -1.41 0.15 116.25 119.87 2pfr h VAL 266 Ca -0.04 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.13 2pfr h VAL 266 Cb 0.40 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 2pfr h VAL 266 CO 0.06 0.21 0.64 -0.07 0.02 0.00 0.00 177.57 178.43 2pfr h LEU 267 N 1.06 0.99 -0.00 2.57 3.38 -1.29 -0.55 115.31 121.47 2pfr h LEU 267 Ca 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2pfr h LEU 267 Cb -0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2pfr h LEU 267 CO -0.06 0.61 -0.03 0.50 0.09 0.00 0.00 178.44 179.56 2pfr h LYS 268 N 1.11 0.02 0.22 1.13 1.63 -0.64 0.13 116.57 120.17 2pfr h LYS 268 Ca 0.44 -0.02 -0.34 0.00 -0.85 0.00 0.00 60.65 59.88 2pfr h LYS 268 Cb 0.24 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2pfr h LYS 268 CO -0.19 0.78 -1.57 -2.95 -3.45 0.00 0.00 179.45 172.07 2pfr h ASN 269 N -0.73 0.73 0.00 4.20 7.08 -0.80 -3.06 115.58 123.00 2pfr h ASN 269 Ca -0.00 -0.88 -0.03 0.00 -3.08 0.00 0.00 56.30 52.31 2pfr h ASN 269 Cb 0.79 -0.24 -0.00 0.00 -2.08 0.00 0.00 38.32 36.79 2pfr h ASN 269 CO 0.01 1.71 -0.36 0.40 -2.08 0.00 0.00 177.43 177.10 2pfr h ILE 270 N 0.13 0.27 -0.00 6.14 2.04 -1.29 -3.40 117.51 121.40 2pfr h ILE 270 Ca -0.28 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2pfr h ILE 270 Cb 2.13 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2pfr h ILE 270 CO 0.23 0.09 -0.30 0.49 0.00 0.00 0.00 178.15 178.67 2pfr n PHE 271 N -4.65 0.00 -3.09 1.37 3.72 -1.09 -4.94 117.46 108.78 2pfr n PHE 271 Ca -0.08 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.10 2pfr n PHE 271 Cb 0.24 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.46 2pfr n PHE 271 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2pfr n LYS 272 N -1.45 -4.16 -4.16 -1.08 4.01 -0.35 -4.79 118.16 106.17 2pfr n LYS 272 Ca 0.07 0.75 -0.34 0.00 -0.51 0.00 0.00 58.31 58.27 2pfr n LYS 272 Cb 0.33 -5.54 -0.12 0.00 -0.51 0.00 0.00 35.03 29.19 2pfr n LYS 272 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2pfr s ILE 273 N -3.06 4.02 -0.23 -0.18 1.01 0.31 -4.70 121.20 118.37 2pfr s ILE 273 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2pfr s ILE 273 Cb -0.15 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2pfr s ILE 273 CO 0.39 0.45 -0.14 -0.55 0.00 0.00 0.00 174.94 175.08 2pfr s SER 274 N 0.75 3.90 0.01 3.58 0.15 -1.26 -3.43 113.70 117.40 2pfr s SER 274 Ca -0.00 -1.05 -0.20 0.00 0.70 0.00 0.00 55.95 55.40 2pfr s SER 274 Cb -0.14 -1.53 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 2pfr s SER 274 CO 0.02 -0.11 0.59 -0.76 1.20 0.00 0.00 173.24 174.18 2pfr s LEU 275 N 1.20 4.44 0.00 3.45 1.43 -1.26 -4.98 118.68 122.95 2pfr s LEU 275 Ca -0.03 1.18 0.30 0.00 -1.03 0.00 0.00 54.13 54.56 2pfr s LEU 275 Cb -0.17 -2.92 1.57 0.00 0.03 0.00 0.00 46.19 44.71 2pfr s LEU 275 CO -0.08 0.13 2.07 0.61 0.23 0.00 0.00 176.35 179.31 2pfr n GLY 276 N 2.32 -1.16 3.17 -3.19 0.00 -1.26 -4.86 105.19 100.20 2pfr n GLY 276 Ca -0.07 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2pfr n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pfr s ARG 277 N -2.42 0.97 0.18 1.61 0.52 -1.26 -5.12 118.95 113.43 2pfr s ARG 277 Ca 0.33 -1.46 -0.33 0.00 -0.52 0.00 0.00 55.73 53.76 2pfr s ARG 277 Cb 0.21 0.09 -0.13 0.00 0.52 0.00 0.00 34.95 35.64 2pfr s ARG 277 CO 0.44 -0.22 1.68 -1.71 0.02 0.00 0.00 175.30 175.52 2pfr n ASN 278 N -0.13 3.68 -4.80 0.23 2.85 -1.26 -4.95 115.26 110.87 2pfr n ASN 278 Ca -0.06 1.06 -0.37 0.00 -0.11 0.00 0.00 54.58 55.10 2pfr n ASN 278 Cb 0.63 -1.52 -0.06 0.00 1.24 0.00 0.00 39.78 40.07 2pfr n ASN 278 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2pfr s LEU 279 N 1.24 4.37 -0.61 1.20 2.96 -1.26 -4.32 118.68 122.27 2pfr s LEU 279 Ca 0.77 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 55.31 2pfr s LEU 279 Cb -0.57 -2.41 0.16 0.00 0.50 0.00 0.00 46.19 43.86 2pfr s LEU 279 CO 0.35 0.25 0.47 -0.69 -1.32 0.00 0.00 176.35 175.41 2pfr s VAL 280 N -0.48 4.33 0.46 1.68 1.01 0.24 -4.99 120.40 122.66 2pfr s VAL 280 Ca 0.20 -2.37 -0.25 0.00 0.00 0.00 0.00 61.98 59.56 2pfr s VAL 280 Cb -0.14 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2pfr s VAL 280 CO 0.08 -0.87 1.41 -2.84 0.00 0.00 0.00 175.10 172.88 2pfr s PRO 281 N 0.57 3.62 -0.05 2.72 0.02 -1.26 -4.88 135.00 135.74 2pfr s PRO 281 Ca 0.13 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.53 2pfr s PRO 281 Cb -0.20 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.73 2pfr s PRO 281 CO -0.04 -0.85 -0.08 0.15 -0.33 0.00 0.00 177.00 175.85 2pfr s LYS 282 N -2.51 1.23 0.27 5.54 1.02 -1.26 -4.94 119.74 119.09 2pfr s LYS 282 Ca 0.62 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.39 2pfr s LYS 282 Cb -0.43 -1.09 0.37 0.00 -0.52 0.00 0.00 37.83 36.16 2pfr s LYS 282 CO 0.54 -0.02 1.67 -1.00 -0.92 0.00 0.00 175.35 175.63 2pfr h PRO 283 N 7.03 0.41 0.00 -1.68 0.13 -1.87 -2.68 132.00 133.34 2pfr h PRO 283 Ca -0.35 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2pfr h PRO 283 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pfr h PRO 283 CO 0.48 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 2pfr n GLY 284 N -0.19 -2.67 0.08 1.56 0.00 -1.19 -4.50 105.19 98.28 2pfr n GLY 284 Ca -0.01 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.33 2pfr n GLY 284 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pfr n ASP 285 N -0.13 2.04 0.00 1.61 5.68 -1.26 -4.96 116.55 119.53 2pfr n ASP 285 Ca 0.00 -2.69 0.00 0.00 -0.50 0.00 0.00 54.79 51.60 2pfr n ASP 285 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2pfr n ASP 285 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pfr n GLY 286 N -1.07 0.76 0.17 6.12 0.00 -1.26 -4.96 105.19 104.95 2pfr n GLY 286 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2pfr n GLY 286 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pfr h SER 287 N 0.00 0.00 -3.55 1.61 0.02 -1.93 -3.39 113.55 106.31 2pfr h SER 287 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 2pfr h SER 287 Cb 0.00 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.20 2pfr h SER 287 CO 0.00 0.47 -0.58 -0.76 -1.14 0.00 0.00 176.83 174.81 2pfr s LEU 288 N -7.24 4.92 0.51 5.07 1.43 -1.26 -4.90 118.68 117.21 2pfr s LEU 288 Ca -0.00 -1.81 -0.05 0.00 -1.03 0.00 0.00 54.13 51.24 2pfr s LEU 288 Cb 0.11 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2pfr s LEU 288 CO 0.72 -0.47 0.80 0.42 0.23 0.00 0.00 176.35 178.04 2pfr s THR 289 N 1.18 4.48 -2.13 5.49 -4.23 -1.26 -4.90 115.64 114.27 2pfr s THR 289 Ca 0.05 0.06 0.31 0.00 -1.18 0.00 0.00 61.69 60.93 2pfr s THR 289 Cb -0.22 -3.71 0.82 0.00 1.34 0.00 0.00 72.50 70.73 2pfr s THR 289 CO -0.03 -0.68 2.11 2.30 -0.54 0.00 0.00 174.62 177.77