#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 0.91 -0.52 4.04 3.32 -2.06 -2.01 116.42 120.11 2pfr h ASP 2 Ca 0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2pfr h ASP 2 Cb 0.00 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2pfr h ASP 2 CO 0.00 0.65 0.16 -0.29 -1.72 0.00 0.00 179.24 178.05 2pfr h ILE 3 N 1.07 1.22 -0.19 0.35 6.09 -2.00 -0.38 117.51 123.67 2pfr h ILE 3 Ca 0.30 -0.78 -0.14 0.00 -1.37 0.00 0.00 64.86 62.86 2pfr h ILE 3 Cb -0.10 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 2pfr h ILE 3 CO -0.07 0.30 -0.48 -0.33 -3.07 0.00 0.00 178.15 174.50 2pfr h GLU 4 N 0.83 0.51 -0.58 2.19 3.07 -1.92 -1.49 114.58 117.18 2pfr h GLU 4 Ca 0.19 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2pfr h GLU 4 Cb 0.26 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2pfr h GLU 4 CO -0.01 0.88 0.27 0.00 -1.40 0.00 0.00 179.01 178.75 2pfr h ALA 5 N 1.08 0.75 -0.38 3.43 0.00 -0.95 -0.48 119.26 122.71 2pfr h ALA 5 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2pfr h ALA 5 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2pfr h ALA 5 CO 0.09 0.33 0.17 -0.92 0.00 0.00 0.00 179.25 178.91 2pfr h TYR 6 N 0.80 0.55 -0.37 0.00 3.20 -0.90 -1.35 116.97 118.91 2pfr h TYR 6 Ca 0.20 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2pfr h TYR 6 Cb 0.13 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2pfr h TYR 6 CO 0.00 0.48 -0.10 0.74 -1.64 0.00 0.00 178.16 177.64 2pfr h PHE 7 N 0.47 0.68 -0.52 -3.82 0.04 -1.09 -1.79 116.94 110.90 2pfr h PHE 7 Ca 0.13 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2pfr h PHE 7 Cb 0.14 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2pfr h PHE 7 CO -0.01 0.71 0.14 1.49 -0.60 0.00 0.00 178.31 180.04 2pfr h GLU 8 N 0.58 0.82 -0.39 1.51 4.57 -0.95 0.13 114.58 120.86 2pfr h GLU 8 Ca 0.11 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2pfr h GLU 8 Cb 0.51 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2pfr h GLU 8 CO 0.03 0.78 0.02 -0.09 -1.18 0.00 0.00 179.01 178.57 2pfr h ARG 9 N 0.72 0.60 -0.06 1.92 1.12 -0.79 -2.12 114.38 115.77 2pfr h ARG 9 Ca 0.16 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2pfr h ARG 9 Cb 0.32 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 2pfr h ARG 9 CO -0.00 0.61 0.00 0.44 -3.11 0.00 0.00 179.97 177.91 2pfr n ILE 10 N -4.27 0.06 -1.61 1.20 -5.35 -0.72 -4.88 119.36 103.79 2pfr n ILE 10 Ca 0.02 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.05 2pfr n ILE 10 Cb 0.25 0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.23 0.67 3.74 3.28 0.00 -0.22 -4.65 105.19 109.24 2pfr n GLY 11 Ca 0.17 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.38 3.45 -0.70 1.61 5.04 0.29 -5.01 117.35 119.65 2pfr s TYR 12 Ca 0.00 0.47 -0.15 0.00 -2.44 0.00 0.00 57.07 54.95 2pfr s TYR 12 Cb 0.00 -2.22 0.18 0.00 0.35 0.00 0.00 41.96 40.27 2pfr s TYR 12 CO 0.00 0.31 0.66 0.15 -1.34 0.00 0.00 175.55 175.33 2pfr s LYS 13 N 0.26 3.34 -1.19 4.97 3.01 -1.26 -4.50 119.74 124.36 2pfr s LYS 13 Ca 0.12 -2.12 -0.22 0.00 -1.01 0.00 0.00 55.97 52.74 2pfr s LYS 13 Cb -0.12 -4.38 -0.05 0.00 -1.01 0.00 0.00 37.83 32.27 2pfr s LYS 13 CO 0.01 -1.32 1.89 1.21 0.51 0.00 0.00 175.35 177.66 2pfr s ASN 14 N 2.81 5.40 -0.22 2.83 2.47 -1.26 -4.54 114.94 122.43 2pfr s ASN 14 Ca 0.12 -1.78 -0.01 0.00 0.42 0.00 0.00 52.86 51.61 2pfr s ASN 14 Cb -0.19 -2.59 -0.13 0.00 -1.45 0.00 0.00 41.25 36.90 2pfr s ASN 14 CO -0.04 -2.68 -0.22 -1.54 -3.72 0.00 0.00 177.10 168.91 2pfr n SER 15 N 13.15 2.16 -4.74 -4.21 3.41 -1.26 -4.91 113.62 117.22 2pfr n SER 15 Ca 0.45 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 2pfr n SER 15 Cb 0.47 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2pfr n SER 15 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2pfr s ARG 16 N -2.43 4.39 0.00 4.33 3.00 -1.26 -4.94 118.95 122.03 2pfr s ARG 16 Ca -0.30 2.08 0.28 0.00 0.00 0.00 0.00 55.73 57.79 2pfr s ARG 16 Cb 0.09 -3.18 1.11 0.00 0.00 0.00 0.00 34.95 32.97 2pfr s ARG 16 CO 0.48 -0.24 1.82 0.09 0.00 0.00 0.00 175.30 177.44 2pfr n ASN 17 N 2.39 0.24 -4.78 0.23 4.13 -1.26 -4.98 115.26 111.23 2pfr n ASN 17 Ca 0.05 -0.04 -0.39 0.00 1.68 0.00 0.00 54.58 55.88 2pfr n ASN 17 Cb 0.43 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.41 2pfr n ASN 17 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2pfr s LYS 18 N -2.80 4.42 -1.12 3.52 1.02 -1.26 -4.98 119.74 118.53 2pfr s LYS 18 Ca 0.19 0.96 -0.05 0.00 0.02 0.00 0.00 55.97 57.09 2pfr s LYS 18 Cb 0.19 -3.29 0.28 0.00 -0.52 0.00 0.00 37.83 34.49 2pfr s LYS 18 CO 0.54 0.49 1.61 1.28 -0.92 0.00 0.00 175.35 178.35 2pfr n LEU 19 N 2.07 6.59 0.00 3.17 4.77 -1.26 -4.64 117.00 127.70 2pfr n LEU 19 Ca -0.06 -5.12 -0.31 0.00 -0.03 0.00 0.00 56.01 50.49 2pfr n LEU 19 Cb 0.50 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.21 2pfr n LEU 19 CO 0.45 1.67 -0.22 -0.90 -1.33 0.00 0.00 177.39 177.06 2pfr n ASP 20 N 1.69 2.52 0.12 -1.43 5.68 -1.26 -4.97 116.55 118.90 2pfr n ASP 20 Ca 0.31 -3.30 0.01 0.00 -0.50 0.00 0.00 54.79 51.31 2pfr n ASP 20 Cb 0.33 0.67 0.33 0.00 -1.14 0.00 0.00 41.12 41.32 2pfr n ASP 20 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2pfr h LEU 21 N 0.00 0.21 -0.42 -2.12 5.85 -1.99 -1.56 115.31 115.28 2pfr h LEU 21 Ca -0.39 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 2pfr h LEU 21 Cb 1.31 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2pfr h LEU 21 CO 0.64 0.46 0.04 -0.08 -0.34 0.00 0.00 178.44 179.17 2pfr h GLU 22 N 0.20 0.71 -0.17 1.25 4.81 -1.96 -0.41 114.58 119.01 2pfr h GLU 22 Ca 0.03 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2pfr h GLU 22 Cb 0.54 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2pfr h GLU 22 CO 0.04 0.77 -0.01 1.15 -0.73 0.00 0.00 179.01 180.22 2pfr h THR 23 N 0.56 1.26 -0.46 0.32 2.02 -1.75 -1.32 112.91 113.55 2pfr h THR 23 Ca 0.12 -0.89 0.07 0.00 0.77 0.00 0.00 66.41 66.48 2pfr h THR 23 Cb 0.42 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 2pfr h THR 23 CO 0.01 0.27 0.13 0.25 0.37 0.00 0.00 175.52 176.54 2pfr h LEU 24 N 0.04 0.08 -0.24 2.58 5.85 -1.19 -1.75 115.31 120.69 2pfr h LEU 24 Ca 0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2pfr h LEU 24 Cb 0.41 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2pfr h LEU 24 CO 0.01 0.08 0.11 0.74 -0.34 0.00 0.00 178.44 179.04 2pfr h THR 25 N 0.28 1.15 -0.87 1.05 2.02 -0.98 -1.23 112.91 114.33 2pfr h THR 25 Ca 0.22 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 67.03 2pfr h THR 25 Cb 0.26 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2pfr h THR 25 CO -0.26 0.15 0.53 -0.78 0.37 0.00 0.00 175.52 175.53 2pfr h ASP 26 N 0.25 0.81 -0.25 4.18 3.58 -1.04 0.67 116.42 124.61 2pfr h ASP 26 Ca 0.08 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2pfr h ASP 26 Cb 0.14 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2pfr h ASP 26 CO -0.01 0.50 -0.18 0.40 -2.88 0.00 0.00 179.24 177.07 2pfr h ILE 27 N 0.93 1.31 -0.07 2.25 2.04 -0.98 -1.19 117.51 121.80 2pfr h ILE 27 Ca 0.39 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.96 2pfr h ILE 27 Cb 0.25 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2pfr h ILE 27 CO -0.20 0.41 -0.02 0.25 0.00 0.00 0.00 178.15 178.59 2pfr h LEU 28 N 0.27 -0.07 -0.21 1.44 5.85 -1.05 0.36 115.31 121.90 2pfr h LEU 28 Ca 0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2pfr h LEU 28 Cb 0.71 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2pfr h LEU 28 CO 0.05 -0.02 0.05 -0.33 -0.34 0.00 0.00 178.44 177.84 2pfr h GLU 29 N -0.00 0.13 -0.47 1.25 5.08 -0.85 -1.63 114.58 118.08 2pfr h GLU 29 Ca 0.03 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2pfr h GLU 29 Cb 0.05 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2pfr h GLU 29 CO -0.07 0.09 0.24 0.45 -1.00 0.00 0.00 179.01 178.71 2pfr h HIS 30 N 0.14 0.44 -0.25 4.33 3.86 -1.03 -2.48 115.15 120.15 2pfr h HIS 30 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2pfr h HIS 30 Cb 0.09 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2pfr h HIS 30 CO -0.14 0.23 0.10 0.37 0.86 0.00 0.00 177.93 179.34 2pfr h GLN 31 N 0.48 0.38 0.00 2.45 4.15 -0.59 -2.42 115.11 119.55 2pfr h GLN 31 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2pfr h GLN 31 Cb 0.10 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2pfr h GLN 31 CO -0.14 0.42 0.00 -0.84 -1.93 0.00 0.00 178.83 176.34 2pfr h ILE 32 N 0.25 0.00 -0.01 2.39 3.07 -1.24 0.22 117.51 122.20 2pfr h ILE 32 Ca 0.08 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2pfr h ILE 32 Cb 0.18 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2pfr h ILE 32 CO -0.01 0.00 -0.40 0.54 -1.05 0.00 0.00 178.15 177.23 2pfr n ARG 33 N -2.80 0.61 -0.01 0.16 1.74 -0.94 -2.15 116.66 113.27 2pfr n ARG 33 Ca 0.01 -0.40 -0.02 0.00 -0.77 0.00 0.00 57.85 56.68 2pfr n ARG 33 Cb 0.28 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.85 2.44 -2.74 7.54 0.00 -0.66 -4.82 120.51 121.42 2pfr n ALA 34 Ca 0.09 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2pfr n ALA 34 Cb 0.36 0.46 -0.10 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.04 5.00 0.50 0.00 1.01 0.69 -4.99 120.40 120.58 2pfr s VAL 35 Ca -0.03 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 2pfr s VAL 35 Cb 0.01 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2pfr s VAL 35 CO 0.04 -0.39 1.18 -2.84 0.00 0.00 0.00 175.10 173.09 2pfr s PRO 36 N 1.62 3.52 -0.09 2.72 0.02 -1.26 -4.63 135.00 136.90 2pfr s PRO 36 Ca 0.04 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 2pfr s PRO 36 Cb -0.21 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 2pfr s PRO 36 CO 0.08 -0.75 1.34 0.12 -0.33 0.00 0.00 177.00 177.46 2pfr s PHE 37 N -1.57 2.77 0.03 6.54 5.36 -0.21 -1.86 117.98 129.03 2pfr s PHE 37 Ca 0.68 0.87 -0.23 0.00 -0.96 0.00 0.00 56.93 57.28 2pfr s PHE 37 Cb -0.29 -3.59 0.05 0.00 -0.34 0.00 0.00 43.02 38.85 2pfr s PHE 37 CO 0.34 -2.14 0.54 -1.83 -1.46 0.00 0.00 175.22 170.67 2pfr s GLU 38 N 3.12 1.02 -0.09 10.12 -1.05 -0.04 -0.27 118.70 131.51 2pfr s GLU 38 Ca 0.60 -0.15 0.15 0.00 -0.15 0.00 0.00 54.97 55.42 2pfr s GLU 38 Cb -0.26 0.47 0.31 0.00 -0.44 0.00 0.00 34.13 34.21 2pfr s GLU 38 CO 0.21 -0.36 1.15 0.27 0.95 0.00 0.00 175.26 177.47 2pfr n ASN 39 N 0.53 1.27 0.26 0.83 6.94 -1.08 -2.46 115.26 121.54 2pfr n ASN 39 Ca -0.19 -2.77 0.12 0.00 -0.02 0.00 0.00 54.58 51.72 2pfr n ASN 39 Cb 0.60 -0.37 0.72 0.00 -2.36 0.00 0.00 39.78 38.36 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 0.60 0.00 -1.50 -4.53 3.38 -1.96 -1.65 115.31 109.65 2pfr h LEU 40 Ca -0.07 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.04 2pfr h LEU 40 Cb 1.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 2pfr h LEU 40 CO 0.03 0.10 0.51 0.78 0.09 0.00 0.00 178.44 179.95 2pfr h ASN 41 N 0.00 0.47 0.56 -0.43 4.21 -1.88 0.04 115.58 118.55 2pfr h ASN 41 Ca -0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2pfr h ASN 41 Cb 0.25 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2pfr h ASN 41 CO 0.01 0.25 0.00 0.23 -1.29 0.00 0.00 177.43 176.64 2pfr n MET 42 N -4.50 0.11 -0.03 0.81 2.81 -0.62 -1.22 117.12 114.48 2pfr n MET 42 Ca 0.14 0.38 0.01 0.00 -1.81 0.00 0.00 57.70 56.42 2pfr n MET 42 Cb 0.48 -1.72 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.93 0.08 -2.28 2.03 8.25 -0.03 -4.59 115.22 116.74 2pfr n HIS 43 Ca 0.02 -0.51 0.04 0.00 -0.26 0.00 0.00 57.72 57.01 2pfr n HIS 43 Cb 0.18 -0.05 0.06 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 0.13 -0.32 3.52 0.00 0.00 -1.18 -4.70 105.19 102.64 2pfr n GLY 45 Ca 0.08 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.24 1.77 0.42 1.61 -0.21 -0.36 -5.07 119.66 112.59 2pfr s GLN 46 Ca 0.15 -1.94 -0.22 0.00 0.02 0.00 0.00 55.36 53.37 2pfr s GLN 46 Cb -0.07 -1.47 -0.10 0.00 1.00 0.00 0.00 33.01 32.37 2pfr s GLN 46 CO 0.19 0.04 1.00 0.00 -2.12 0.00 0.00 175.29 174.40 2pfr s ALA 47 N -2.80 3.03 -0.91 6.09 0.00 -1.26 -4.12 121.76 121.79 2pfr s ALA 47 Ca 0.33 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 2pfr s ALA 47 Cb 0.05 -3.21 0.25 0.00 0.00 0.00 0.00 23.12 20.21 2pfr s ALA 47 CO 0.16 -0.07 0.98 -1.33 0.00 0.00 0.00 175.76 175.50 2pfr n MET 48 N -0.40 3.16 -2.59 0.00 2.81 -1.26 -4.82 117.12 114.03 2pfr n MET 48 Ca 0.06 -4.54 -0.36 0.00 -1.81 0.00 0.00 57.70 51.04 2pfr n MET 48 Cb 0.52 -2.41 -0.04 0.00 -0.71 0.00 0.00 33.22 30.57 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 -2.00 4.23 0.02 0.03 2.02 -1.26 -4.97 118.70 116.77 2pfr s GLU 49 Ca 0.32 1.47 0.22 0.00 0.02 0.00 0.00 54.97 57.00 2pfr s GLU 49 Cb 0.01 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.67 2pfr s GLU 49 CO -0.04 -0.08 1.01 -0.11 0.02 0.00 0.00 175.26 176.06 2pfr n LEU 50 N 0.00 0.69 -4.72 1.80 7.94 -1.26 -4.78 117.00 116.68 2pfr n LEU 50 Ca 0.05 -0.20 -0.42 0.00 -1.11 0.00 0.00 56.01 54.33 2pfr n LEU 50 Cb 0.50 -0.08 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 2pfr n LEU 50 CO 0.45 0.13 1.10 -0.83 -1.11 0.00 0.00 177.39 177.13 2pfr s GLY 51 N -3.35 1.87 0.22 -3.96 0.00 -1.26 -4.93 107.32 95.91 2pfr s GLY 51 Ca 0.06 1.18 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 2pfr s GLY 51 CO 0.82 2.41 1.77 -2.00 0.00 0.00 0.00 173.10 176.10 2pfr h LEU 52 N 6.80 0.40 -0.37 0.66 5.85 -1.98 -1.06 115.31 125.60 2pfr h LEU 52 Ca -0.42 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2pfr h LEU 52 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2pfr h LEU 52 CO 0.88 0.23 0.19 -0.08 -0.34 0.00 0.00 178.44 179.32 2pfr h GLU 53 N 0.55 0.52 -0.85 1.25 4.81 -1.99 0.14 114.58 119.00 2pfr h GLU 53 Ca 0.33 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2pfr h GLU 53 Cb 0.36 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2pfr h GLU 53 CO -0.27 0.44 0.51 0.00 -0.73 0.00 0.00 179.01 178.96 2pfr h ALA 54 N 1.05 1.30 -0.30 2.92 0.00 -1.88 -1.78 119.26 120.57 2pfr h ALA 54 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pfr h ALA 54 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pfr h ALA 54 CO -0.02 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.54 2pfr h ILE 55 N 1.17 1.29 -0.26 0.00 2.04 -0.74 -2.12 117.51 118.90 2pfr h ILE 55 Ca 0.31 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2pfr h ILE 55 Cb -0.05 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2pfr h ILE 55 CO -0.06 0.38 0.09 0.15 0.00 0.00 0.00 178.15 178.71 2pfr h PHE 56 N 0.36 0.16 -0.63 1.37 3.57 -0.55 0.16 116.94 121.37 2pfr h PHE 56 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2pfr h PHE 56 Cb 0.62 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2pfr h PHE 56 CO 0.06 0.08 0.35 -0.44 -2.23 0.00 0.00 178.31 176.12 2pfr h ASP 57 N 0.21 0.79 0.08 0.41 3.32 -1.23 0.18 116.42 120.17 2pfr h ASP 57 Ca 0.11 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pfr h ASP 57 Cb 0.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2pfr h ASP 57 CO -0.12 0.65 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.28 2pfr h HIS 58 N 0.86 -0.10 0.01 4.55 2.76 -1.09 0.63 115.15 122.77 2pfr h HIS 58 Ca 0.22 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2pfr h HIS 58 Cb 0.04 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2pfr h HIS 58 CO -0.01 0.11 -0.06 0.82 -1.30 0.00 0.00 177.93 177.49 2pfr h ILE 59 N -0.31 1.76 0.00 6.26 2.04 -0.93 -1.53 117.51 124.80 2pfr h ILE 59 Ca -0.01 -2.31 -0.08 0.00 1.00 0.00 0.00 64.86 63.46 2pfr h ILE 59 Cb 0.26 3.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2pfr h ILE 59 CO 0.02 0.60 -0.47 0.58 0.00 0.00 0.00 178.15 178.89 2pfr h VAL 60 N -0.93 1.12 0.15 1.67 2.07 -0.77 -2.70 116.25 116.85 2pfr h VAL 60 Ca -0.01 -2.00 -0.29 0.00 0.82 0.00 0.00 66.70 65.22 2pfr h VAL 60 Cb 1.03 2.28 0.02 0.00 -1.52 0.00 0.00 31.29 33.09 2pfr h VAL 60 CO 0.01 0.38 -1.27 0.03 0.02 0.00 0.00 177.57 176.74 2pfr h ARG 61 N -1.00 0.39 -0.47 1.57 3.08 -1.35 -3.33 114.38 113.27 2pfr h ARG 61 Ca -0.12 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.31 2pfr h ARG 61 Cb 0.93 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2pfr h ARG 61 CO -0.07 1.28 0.00 0.54 -1.07 0.00 0.00 179.97 180.65 2pfr n ARG 62 N -3.63 2.54 -3.77 0.04 1.74 0.16 -4.99 116.66 108.75 2pfr n ARG 62 Ca -0.11 -2.36 -0.28 0.00 -0.77 0.00 0.00 57.85 54.33 2pfr n ARG 62 Cb 1.02 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.99 2pfr n ARG 62 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2pfr n ASN 63 N 1.49 -5.32 -5.03 0.55 5.15 -1.02 -4.80 115.26 106.28 2pfr n ASN 63 Ca 0.20 -0.68 -0.20 0.00 -0.60 0.00 0.00 54.58 53.30 2pfr n ASN 63 Cb 0.60 -4.23 0.07 0.00 -0.53 0.00 0.00 39.78 35.69 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 -6.49 2.24 0.00 1.20 1.81 -0.59 -4.48 118.95 112.64 2pfr s ARG 64 Ca 0.63 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 2pfr s ARG 64 Cb -0.30 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 2pfr s ARG 64 CO 0.77 -0.93 0.00 0.41 -0.68 0.00 0.00 175.30 174.87 2pfr n GLY 65 N -2.30 6.58 0.65 -3.53 0.00 -1.26 -4.39 105.19 100.95 2pfr n GLY 65 Ca 0.16 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 2pfr n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfr n GLY 66 N 5.00 1.01 3.96 -0.02 0.00 -0.78 -4.77 105.19 109.59 2pfr n GLY 66 Ca 0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 2pfr n GLY 66 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2pfr n TRP 67 N -0.13 -2.59 -0.30 1.61 2.14 -1.03 -0.86 117.44 116.28 2pfr n TRP 67 Ca -0.00 -1.98 0.05 0.00 2.07 0.00 0.00 57.50 57.64 2pfr n TRP 67 Cb 0.10 -0.65 0.20 0.00 -0.81 0.00 0.00 31.31 30.15 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 0.74 0.00 0.00 0.00 3.38 -1.90 -1.59 115.31 115.94 2pfr h LEU 69 Ca 0.44 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.17 2pfr h LEU 69 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2pfr h LEU 69 CO -0.30 0.01 -1.77 0.00 0.09 0.00 0.00 178.44 176.47 2pfr n GLN 70 N -3.14 0.56 -0.08 1.13 6.02 0.09 -4.17 117.38 117.78 2pfr n GLN 70 Ca -0.02 0.26 -0.04 0.00 -0.01 0.00 0.00 57.00 57.19 2pfr n GLN 70 Cb 0.14 -1.48 0.18 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.00 1.24 0.00 5.09 -1.51 -1.18 -0.46 116.25 118.43 2pfr h VAL 71 Ca -0.36 -1.01 -0.12 0.00 -1.23 0.00 0.00 66.70 63.98 2pfr h VAL 71 Cb 1.30 0.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2pfr h VAL 71 CO -0.22 0.35 -0.57 0.78 -1.23 0.00 0.00 177.57 176.68 2pfr h ASN 72 N 0.68 0.00 -0.21 4.19 2.35 -1.52 -1.65 115.58 119.42 2pfr h ASN 72 Ca 0.13 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.68 2pfr h ASN 72 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2pfr h ASN 72 CO 0.02 0.57 -0.66 -0.61 -1.65 0.00 0.00 177.43 175.10 2pfr h GLN 73 N 0.00 0.83 -0.34 0.81 4.15 -1.60 0.13 115.11 119.09 2pfr h GLN 73 Ca -0.01 -0.60 -0.01 0.00 0.77 0.00 0.00 58.65 58.80 2pfr h GLN 73 Cb 1.23 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 2pfr h GLN 73 CO 0.07 1.22 0.16 1.25 -1.93 0.00 0.00 178.83 179.60 2pfr h LEU 74 N 0.60 0.45 -0.71 -2.39 5.85 -1.07 -1.79 115.31 116.26 2pfr h LEU 74 Ca -0.02 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2pfr h LEU 74 Cb 1.28 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2pfr h LEU 74 CO 0.14 0.46 0.35 0.25 -0.34 0.00 0.00 178.44 179.30 2pfr h LEU 75 N 0.42 0.92 -0.51 2.25 5.85 -1.23 -1.75 115.31 121.26 2pfr h LEU 75 Ca 0.12 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2pfr h LEU 75 Cb 0.13 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 2pfr h LEU 75 CO -0.01 0.79 -0.01 0.22 -0.34 0.00 0.00 178.44 179.09 2pfr h TYR 76 N 0.99 -0.04 -0.23 1.25 3.20 -0.50 -0.04 116.97 121.59 2pfr h TYR 76 Ca 0.24 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2pfr h TYR 76 Cb 0.11 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2pfr h TYR 76 CO 0.01 -0.12 0.12 2.35 -1.64 0.00 0.00 178.16 178.87 2pfr h TRP 77 N 0.11 0.33 0.02 -3.82 7.01 -0.84 -0.62 115.95 118.13 2pfr h TRP 77 Ca 0.26 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2pfr h TRP 77 Cb 0.39 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 2pfr h TRP 77 CO -0.32 0.31 -0.01 0.00 -2.79 0.00 0.00 178.44 175.62 2pfr h ALA 78 N 0.99 -0.03 -0.59 2.65 0.00 -0.98 0.56 119.26 121.86 2pfr h ALA 78 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pfr h ALA 78 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pfr h ALA 78 CO -0.01 -0.50 0.18 -0.07 0.00 0.00 0.00 179.25 178.85 2pfr h LEU 79 N -0.07 0.86 -0.51 0.00 3.38 -0.95 -2.08 115.31 115.94 2pfr h LEU 79 Ca -0.00 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2pfr h LEU 79 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2pfr h LEU 79 CO 0.00 0.84 -0.09 0.71 0.09 0.00 0.00 178.44 180.00 2pfr h THR 80 N 0.84 1.27 -0.87 0.22 1.35 -1.03 -0.57 112.91 114.11 2pfr h THR 80 Ca 0.19 -1.22 0.08 0.00 -0.55 0.00 0.00 66.41 64.90 2pfr h THR 80 Cb 0.29 1.02 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 2pfr h THR 80 CO -0.01 0.43 0.53 0.74 -0.25 0.00 0.00 175.52 176.96 2pfr h THR 81 N 0.82 1.00 0.00 6.82 2.02 -0.67 -2.06 112.91 120.84 2pfr h THR 81 Ca 0.13 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2pfr h THR 81 Cb 0.64 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2pfr h THR 81 CO 0.04 0.17 -0.28 2.30 0.37 0.00 0.00 175.52 178.13 2pfr n ILE 82 N -4.65 0.01 0.00 3.11 -5.35 -0.80 -4.93 119.36 106.75 2pfr n ILE 82 Ca 0.13 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 2pfr n ILE 82 Cb 0.22 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2pfr n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pfr n GLY 83 N 1.49 1.37 3.75 3.28 0.00 -0.77 -5.02 105.19 109.29 2pfr n GLY 83 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.50 -0.47 1.61 0.08 -0.28 -4.97 117.98 115.44 2pfr s PHE 84 Ca 0.00 1.58 -0.28 0.00 0.12 0.00 0.00 56.93 58.36 2pfr s PHE 84 Cb 0.00 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.08 2pfr s PHE 84 CO 0.00 -0.84 1.77 -1.14 -0.10 0.00 0.00 175.22 174.91 2pfr s GLN 85 N -0.97 3.04 -0.02 0.44 0.74 -1.26 -4.24 119.66 117.39 2pfr s GLN 85 Ca 0.48 0.98 0.05 0.00 0.05 0.00 0.00 55.36 56.92 2pfr s GLN 85 Cb -0.32 -4.26 -0.01 0.00 1.10 0.00 0.00 33.01 29.51 2pfr s GLN 85 CO 0.40 -2.22 -0.18 0.99 -0.55 0.00 0.00 175.29 173.73 2pfr s THR 86 N 7.70 1.42 -0.01 -0.34 2.01 -1.26 -1.38 115.64 123.77 2pfr s THR 86 Ca 0.71 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2pfr s THR 86 Cb -0.17 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2pfr s THR 86 CO 0.27 0.40 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.61 2pfr s THR 87 N -0.38 0.87 0.03 -0.82 2.01 0.06 -4.99 115.64 112.42 2pfr s THR 87 Ca 0.06 -0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 2pfr s THR 87 Cb -0.07 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2pfr s THR 87 CO -0.00 0.25 0.82 -0.04 -0.69 0.00 0.00 174.62 174.95 2pfr s MET 88 N -0.26 4.53 0.15 4.92 -1.94 -1.26 -1.14 119.30 124.31 2pfr s MET 88 Ca 0.04 1.15 0.09 0.00 -1.71 0.00 0.00 55.69 55.27 2pfr s MET 88 Cb -0.04 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 2pfr s MET 88 CO -0.00 0.20 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.48 2pfr s LEU 89 N 0.22 2.39 -0.11 -0.03 1.43 0.19 -0.86 118.68 121.91 2pfr s LEU 89 Ca 0.42 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2pfr s LEU 89 Cb -0.21 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2pfr s LEU 89 CO 0.24 0.05 -0.06 -0.83 0.23 0.00 0.00 176.35 175.99 2pfr s GLY 90 N -2.42 1.70 0.35 -3.19 0.00 -1.26 -1.62 107.32 100.88 2pfr s GLY 90 Ca 0.14 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.08 2pfr s GLY 90 CO 0.07 -0.35 -0.01 -0.32 0.00 0.00 0.00 173.10 172.49 2pfr s GLY 91 N -0.19 2.19 -0.15 0.20 0.00 0.45 -3.75 107.32 106.07 2pfr s GLY 91 Ca 0.03 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.64 2pfr s GLY 91 CO 0.03 -1.96 -0.14 -0.19 0.00 0.00 0.00 173.10 170.84 2pfr s TYR 92 N -2.92 2.14 0.16 1.90 2.02 0.77 -1.56 117.35 119.87 2pfr s TYR 92 Ca 0.34 -1.21 -0.28 0.00 -0.37 0.00 0.00 57.07 55.54 2pfr s TYR 92 Cb 0.07 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.98 2pfr s TYR 92 CO 0.16 -0.67 0.88 0.12 -1.57 0.00 0.00 175.55 174.47 2pfr s PHE 93 N 1.50 3.89 0.30 2.71 5.36 -1.26 -1.43 117.98 129.05 2pfr s PHE 93 Ca 0.05 1.76 -0.29 0.00 -0.96 0.00 0.00 56.93 57.49 2pfr s PHE 93 Cb -0.13 -2.93 -0.10 0.00 -0.34 0.00 0.00 43.02 39.53 2pfr s PHE 93 CO -0.10 0.39 1.32 -0.47 -1.46 0.00 0.00 175.22 174.89 2pfr s TYR 94 N -0.74 3.10 -0.57 10.12 5.04 -0.05 -0.53 117.35 133.72 2pfr s TYR 94 Ca 0.41 1.34 -0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2pfr s TYR 94 Cb -0.24 -3.67 0.15 0.00 0.35 0.00 0.00 41.96 38.54 2pfr s TYR 94 CO 0.29 -1.94 0.35 0.42 -1.34 0.00 0.00 175.55 173.33 2pfr s ILE 95 N -0.77 3.24 0.23 3.14 1.01 0.12 -4.90 121.20 123.27 2pfr s ILE 95 Ca 0.52 -3.02 -0.06 0.00 0.00 0.00 0.00 60.65 58.08 2pfr s ILE 95 Cb -0.39 -3.17 0.19 0.00 0.01 0.00 0.00 42.46 39.10 2pfr s ILE 95 CO 0.49 -0.83 1.79 -0.65 0.00 0.00 0.00 174.94 175.74 2pfr h PRO 96 N 6.92 0.65 -0.81 2.79 0.11 -1.91 -1.19 132.00 138.56 2pfr h PRO 96 Ca -0.04 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 66.26 2pfr h PRO 96 Cb 0.94 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 2pfr h PRO 96 CO 0.70 0.43 0.67 -1.35 -0.21 0.00 0.00 178.00 178.23 2pfr h PRO 97 N 0.67 0.00 -0.04 1.05 0.11 -1.93 -2.20 132.00 129.66 2pfr h PRO 97 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2pfr h PRO 97 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2pfr h PRO 97 CO -0.26 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.86 2pfr n VAL 98 N -4.01 0.55 -3.85 3.15 0.24 -0.68 -5.03 118.33 108.71 2pfr n VAL 98 Ca 0.17 -0.78 -0.26 0.00 -2.04 0.00 0.00 64.34 61.43 2pfr n VAL 98 Cb 0.95 0.75 0.02 0.00 -1.47 0.00 0.00 33.84 34.09 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 -0.10 -2.43 -3.91 -1.34 5.15 -0.54 -4.99 115.26 107.11 2pfr n ASN 99 Ca 0.02 -0.85 -0.09 0.00 -0.60 0.00 0.00 54.58 53.06 2pfr n ASN 99 Cb 0.18 -3.74 -0.08 0.00 -0.53 0.00 0.00 39.78 35.62 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 -6.36 0.87 0.36 1.20 1.02 -1.21 -5.01 119.74 110.60 2pfr s LYS 100 Ca 0.28 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 2pfr s LYS 100 Cb -0.14 0.33 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 2pfr s LYS 100 CO 0.84 -0.27 0.73 0.71 -0.92 0.00 0.00 175.35 176.43 2pfr s TYR 101 N -3.89 3.44 0.50 3.18 2.02 -1.26 0.10 117.35 121.43 2pfr s TYR 101 Ca 0.08 1.05 -0.23 0.00 -0.37 0.00 0.00 57.07 57.60 2pfr s TYR 101 Cb 0.05 -2.43 -0.07 0.00 -0.40 0.00 0.00 41.96 39.11 2pfr s TYR 101 CO -0.09 0.01 1.35 -1.13 -1.57 0.00 0.00 175.55 174.12 2pfr n SER 102 N -0.89 2.79 -0.17 2.29 3.41 0.31 -4.88 113.62 116.48 2pfr n SER 102 Ca 0.02 1.04 -0.10 0.00 -0.26 0.00 0.00 58.87 59.57 2pfr n SER 102 Cb 0.54 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 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 1.79 1.27 -3.59 6.66 2.02 -1.97 -3.44 112.91 115.64 2pfr h THR 103 Ca -0.50 -1.12 -0.50 0.00 0.77 0.00 0.00 66.41 65.06 2pfr h THR 103 Cb 1.29 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2pfr h THR 103 CO 0.59 0.39 0.05 -0.83 0.37 0.00 0.00 175.52 176.09 2pfr s GLY 104 N -3.47 1.98 -1.32 2.16 0.00 -1.26 -4.97 107.32 100.44 2pfr s GLY 104 Ca -0.12 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 2pfr s GLY 104 CO 0.83 -0.08 1.81 -0.13 0.00 0.00 0.00 173.10 175.53 2pfr n MET 105 N -1.08 3.17 0.00 2.90 1.56 -1.26 -4.62 117.12 117.78 2pfr n MET 105 Ca 0.02 -3.22 0.13 0.00 -0.27 0.00 0.00 57.70 54.36 2pfr n MET 105 Cb 0.54 -3.37 0.45 0.00 2.15 0.00 0.00 33.22 32.99 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 5.73 0.00 -5.19 1.12 0.24 -0.89 -4.80 118.33 114.54 2pfr n VAL 106 Ca 0.48 -0.14 -0.32 0.00 -2.04 0.00 0.00 64.34 62.32 2pfr n VAL 106 Cb 0.44 0.33 -0.16 0.00 -1.47 0.00 0.00 33.84 32.97 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 -2.39 2.53 -0.20 6.34 5.04 -0.60 -4.89 115.29 121.12 2pfr s HIS 107 Ca 0.28 -0.79 -0.06 0.00 -1.54 0.00 0.00 55.06 52.94 2pfr s HIS 107 Cb 0.20 -1.66 -0.03 0.00 0.04 0.00 0.00 32.58 31.12 2pfr s HIS 107 CO 0.47 -0.26 0.04 -1.17 -2.34 0.00 0.00 174.74 171.48 2pfr s LEU 108 N 0.02 3.57 0.25 8.88 2.96 -1.26 -0.41 118.68 132.68 2pfr s LEU 108 Ca -0.08 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2pfr s LEU 108 Cb -0.15 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2pfr s LEU 108 CO 0.05 0.11 0.11 -1.48 -1.32 0.00 0.00 176.35 173.82 2pfr s LEU 109 N 0.74 1.54 0.20 -0.68 2.34 -0.64 -4.73 118.68 117.46 2pfr s LEU 109 Ca 0.02 -1.39 0.11 0.00 0.06 0.00 0.00 54.13 52.93 2pfr s LEU 109 Cb -0.14 0.10 -0.04 0.00 -0.56 0.00 0.00 46.19 45.55 2pfr s LEU 109 CO 0.02 -0.76 -0.24 -0.76 -1.06 0.00 0.00 176.35 173.56 2pfr s LEU 110 N -3.29 2.45 -0.07 1.48 1.43 0.05 -0.63 118.68 120.09 2pfr s LEU 110 Ca 0.38 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2pfr s LEU 110 Cb 0.08 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 2pfr s LEU 110 CO 0.14 0.11 -0.21 -1.58 0.23 0.00 0.00 176.35 175.04 2pfr s GLN 111 N -2.74 2.48 -0.09 1.70 0.74 -0.29 -0.94 119.66 120.52 2pfr s GLN 111 Ca 0.21 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.91 2pfr s GLN 111 Cb -0.08 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.05 2pfr s GLN 111 CO 0.10 0.21 -0.23 0.08 -0.55 0.00 0.00 175.29 174.89 2pfr s VAL 112 N 0.24 2.15 -0.16 1.34 1.01 0.81 -0.76 120.40 125.04 2pfr s VAL 112 Ca -0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2pfr s VAL 112 Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2pfr s VAL 112 CO 0.06 0.56 -0.10 -0.89 0.00 0.00 0.00 175.10 174.73 2pfr s THR 113 N 0.16 3.21 -0.19 3.92 2.01 -0.48 -0.85 115.64 123.41 2pfr s THR 113 Ca -0.13 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 2pfr s THR 113 Cb -0.16 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 70.01 2pfr s THR 113 CO 0.07 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.82 2pfr s ILE 114 N 0.70 1.18 -1.23 1.82 1.01 0.02 -4.18 121.20 120.51 2pfr s ILE 114 Ca -0.05 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 2pfr s ILE 114 Cb -0.15 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 40.94 2pfr s ILE 114 CO 0.02 0.03 0.48 -0.67 0.00 0.00 0.00 174.94 174.80 2pfr n ASP 115 N 4.83 -2.69 0.00 3.58 2.03 -1.26 -1.51 116.55 121.54 2pfr n ASP 115 Ca -0.12 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2pfr n ASP 115 Cb 0.47 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 2pfr n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pfr n GLY 116 N -2.17 3.01 3.76 0.27 0.00 -1.26 -5.00 105.19 103.79 2pfr n GLY 116 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.17 4.75 -0.14 1.61 0.52 -0.57 -5.05 118.95 119.90 2pfr s ARG 117 Ca 0.00 1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 56.53 2pfr s ARG 117 Cb 0.00 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2pfr s ARG 117 CO 0.00 0.53 -0.01 -0.80 0.02 0.00 0.00 175.30 175.05 2pfr s ASN 118 N -1.14 5.10 -0.03 0.23 0.01 -1.26 -0.80 114.94 117.05 2pfr s ASN 118 Ca 0.39 0.00 0.03 0.00 -0.71 0.00 0.00 52.86 52.57 2pfr s ASN 118 Cb -0.25 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.71 2pfr s ASN 118 CO 0.30 0.24 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.70 2pfr s TYR 119 N -0.05 1.18 -0.16 2.20 2.02 -0.03 -1.46 117.35 121.05 2pfr s TYR 119 Ca 0.03 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 2pfr s TYR 119 Cb -0.13 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2pfr s TYR 119 CO 0.02 -0.11 0.45 0.42 -1.57 0.00 0.00 175.55 174.75 2pfr s ILE 120 N 0.12 5.19 -0.10 2.71 -1.09 0.84 -0.13 121.20 128.73 2pfr s ILE 120 Ca -0.03 0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 59.24 2pfr s ILE 120 Cb -0.09 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2pfr s ILE 120 CO 0.01 0.29 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.27 2pfr s VAL 121 N 0.93 0.82 -0.18 2.92 1.01 -0.11 -1.33 120.40 124.45 2pfr s VAL 121 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2pfr s VAL 121 Cb -0.15 -0.90 0.09 0.00 0.00 0.00 0.00 36.38 35.42 2pfr s VAL 121 CO 0.09 0.32 0.22 -0.62 0.00 0.00 0.00 175.10 175.11 2pfr s ASP 122 N 1.79 1.21 -0.06 3.32 -1.08 -1.26 -0.77 116.67 119.82 2pfr s ASP 122 Ca 0.05 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.19 2pfr s ASP 122 Cb -0.13 0.40 0.69 0.00 -1.46 0.00 0.00 42.92 42.42 2pfr s ASP 122 CO -0.07 -0.31 1.59 0.00 0.52 0.00 0.00 175.17 176.89 2pfr n ALA 123 N 5.32 2.76 -2.67 3.66 0.00 -1.26 -4.57 120.51 123.75 2pfr n ALA 123 Ca -0.05 -1.43 0.02 0.00 0.00 0.00 0.00 53.44 51.97 2pfr n ALA 123 Cb 0.50 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 1.40 1.42 0.08 0.00 0.00 -1.26 -4.84 105.19 101.99 2pfr n GLY 124 Ca 0.25 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 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 1.82 0.00 -0.62 1.61 0.02 -1.90 -3.35 113.55 111.13 2pfr h SER 125 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2pfr h SER 125 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2pfr h SER 125 CO 0.13 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 2pfr n GLY 126 N 1.26 1.24 7.00 -3.77 0.00 -1.26 -4.82 105.19 104.84 2pfr n GLY 126 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.14 0.00 -0.78 1.61 3.41 -1.26 -1.67 113.62 114.80 2pfr n SER 127 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2pfr n SER 127 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.12 2.17 -0.72 4.04 3.41 -0.61 -3.31 113.62 119.73 2pfr n SER 128 Ca 0.00 -2.17 0.13 0.00 -0.26 0.00 0.00 58.87 56.57 2pfr n SER 128 Cb 0.00 -0.37 0.32 0.00 -0.26 0.00 0.00 64.21 63.90 2pfr n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pfr n SER 129 N 0.30 2.25 -4.66 4.04 3.41 -0.67 -4.94 113.62 113.36 2pfr n SER 129 Ca 0.10 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.54 2pfr n SER 129 Cb 0.42 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2pfr n SER 129 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2pfr s GLN 130 N -1.95 4.24 0.51 4.33 2.00 -1.21 -4.84 119.66 122.74 2pfr s GLN 130 Ca 0.34 1.16 -0.22 0.00 -2.00 0.00 0.00 55.36 54.63 2pfr s GLN 130 Cb 0.20 -3.63 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 2pfr s GLN 130 CO 0.31 -0.54 1.28 0.00 -0.50 0.00 0.00 175.29 175.84 2pfr s MET 131 N 2.90 3.42 -0.17 1.67 0.23 -1.26 -4.88 119.30 121.21 2pfr s MET 131 Ca 0.40 2.05 0.18 0.00 -1.03 0.00 0.00 55.69 57.29 2pfr s MET 131 Cb -0.15 -2.34 -0.26 0.00 -1.53 0.00 0.00 34.83 30.55 2pfr s MET 131 CO 0.08 -0.91 0.14 0.91 -2.03 0.00 0.00 175.02 173.21 2pfr n TRP 132 N -0.77 0.00 -4.32 3.16 7.02 -1.26 -4.96 117.44 116.31 2pfr n TRP 132 Ca 0.09 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.36 2pfr n TRP 132 Cb 0.46 -0.89 -0.11 0.00 -2.42 0.00 0.00 31.31 28.35 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 -2.66 1.23 0.62 -0.99 1.11 -1.26 -4.29 119.66 113.42 2pfr s GLN 133 Ca -0.09 -1.37 -0.19 0.00 0.01 0.00 0.00 55.36 53.72 2pfr s GLN 133 Cb 0.07 -1.26 -0.03 0.00 -1.01 0.00 0.00 33.01 30.78 2pfr s GLN 133 CO 0.82 0.26 1.22 -2.30 0.01 0.00 0.00 175.29 175.30 2pfr n PRO 134 N 0.36 1.16 -3.96 2.91 -0.02 -1.26 -5.00 135.00 129.19 2pfr n PRO 134 Ca -0.14 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2pfr n PRO 134 Cb 0.57 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 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 -3.56 3.67 0.26 2.45 1.43 -0.44 -4.92 118.68 117.57 2pfr s LEU 135 Ca 0.79 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 2pfr s LEU 135 Cb -0.40 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 2pfr s LEU 135 CO 0.44 0.11 1.21 -0.70 0.23 0.00 0.00 176.35 177.63 2pfr s GLU 136 N 0.78 4.49 -1.23 1.70 2.12 -1.26 -0.11 118.70 125.19 2pfr s GLU 136 Ca 0.03 1.97 -0.18 0.00 0.36 0.00 0.00 54.97 57.15 2pfr s GLU 136 Cb -0.14 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2pfr s GLU 136 CO 0.02 -0.04 1.96 -0.11 -0.54 0.00 0.00 175.26 176.55 2pfr n LEU 137 N 1.63 5.03 -3.86 2.70 7.94 -0.53 -4.83 117.00 125.08 2pfr n LEU 137 Ca 0.02 -3.66 -0.29 0.00 -1.11 0.00 0.00 56.01 50.97 2pfr n LEU 137 Cb 0.44 -1.60 -0.16 0.00 0.53 0.00 0.00 43.42 42.63 2pfr n LEU 137 CO 0.56 -0.01 -0.40 -0.63 -1.11 0.00 0.00 177.39 175.80 2pfr s ILE 138 N 5.29 1.15 0.33 1.96 1.01 -1.26 -4.94 121.20 124.74 2pfr s ILE 138 Ca 0.55 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 2pfr s ILE 138 Cb 0.08 -1.51 -0.11 0.00 0.01 0.00 0.00 42.46 40.93 2pfr s ILE 138 CO 0.05 -0.15 1.43 -0.55 0.00 0.00 0.00 174.94 175.72 2pfr s SER 139 N 1.57 6.54 0.00 3.58 0.15 -1.26 -2.80 113.70 121.48 2pfr s SER 139 Ca -0.04 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.47 2pfr s SER 139 Cb -0.18 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2pfr s SER 139 CO -0.07 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2pfr n GLY 140 N 1.05 0.88 3.68 9.45 0.00 -0.06 -4.97 105.19 115.22 2pfr n GLY 140 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 4.29 0.23 1.61 2.20 -1.12 -5.03 119.74 121.69 2pfr s LYS 141 Ca 0.00 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.05 2pfr s LYS 141 Cb 0.00 -3.54 -0.12 0.00 -1.51 0.00 0.00 37.83 32.66 2pfr s LYS 141 CO 0.00 -0.17 1.68 -0.51 -0.36 0.00 0.00 175.35 175.99 2pfr s ASP 142 N 1.07 6.38 -0.61 1.43 1.01 -1.26 -4.46 116.67 120.22 2pfr s ASP 142 Ca 0.33 2.89 0.05 0.00 0.71 0.00 0.00 52.55 56.53 2pfr s ASP 142 Cb -0.16 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.33 2pfr s ASP 142 CO 0.12 -0.95 0.45 0.00 0.21 0.00 0.00 175.17 175.00 2pfr n GLN 143 N 3.43 1.31 -2.13 8.23 6.02 -0.49 -5.01 117.38 128.74 2pfr n GLN 143 Ca 0.13 -4.07 -0.41 0.00 -0.01 0.00 0.00 57.00 52.64 2pfr n GLN 143 Cb 0.36 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 29.51 2pfr n GLN 143 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2pfr s PRO 144 N -1.00 4.33 0.33 -1.09 0.04 -1.26 -1.54 135.00 134.81 2pfr s PRO 144 Ca 0.28 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.51 2pfr s PRO 144 Cb -0.01 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2pfr s PRO 144 CO -0.18 -0.34 0.17 -0.65 0.04 0.00 0.00 177.00 176.04 2pfr s GLN 145 N -0.09 1.68 0.18 4.56 -0.21 -0.19 -4.95 119.66 120.64 2pfr s GLN 145 Ca 0.59 -1.98 -0.14 0.00 0.02 0.00 0.00 55.36 53.85 2pfr s GLN 145 Cb -0.39 -0.17 0.07 0.00 1.00 0.00 0.00 33.01 33.53 2pfr s GLN 145 CO 0.39 -0.47 1.83 0.28 -2.12 0.00 0.00 175.29 175.20 2pfr h VAL 146 N 2.12 1.15 -0.38 1.09 2.07 -1.99 -2.84 116.25 117.46 2pfr h VAL 146 Ca -0.33 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2pfr h VAL 146 Cb 1.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2pfr h VAL 146 CO 0.51 0.15 0.23 -0.65 0.02 0.00 0.00 177.57 177.84 2pfr h PRO 147 N 0.75 0.51 0.00 1.57 0.11 -1.96 -3.44 132.00 129.53 2pfr h PRO 147 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pfr h PRO 147 Cb -0.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 30.94 2pfr h PRO 147 CO -0.04 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2pfr s ILE 149 N -2.00 5.04 0.09 0.00 1.01 -0.88 -1.03 121.20 123.43 2pfr s ILE 149 Ca 0.00 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 2pfr s ILE 149 Cb 0.00 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 2pfr s ILE 149 CO 0.00 0.12 0.42 -0.36 0.00 0.00 0.00 174.94 175.11 2pfr s PHE 150 N 1.92 3.59 -0.06 3.97 0.08 -0.59 -0.29 117.98 126.59 2pfr s PHE 150 Ca 0.27 0.82 0.00 0.00 0.12 0.00 0.00 56.93 58.15 2pfr s PHE 150 Cb -0.16 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2pfr s PHE 150 CO 0.10 0.51 -0.04 0.00 -0.10 0.00 0.00 175.22 175.69 2pfr s LEU 152 N 1.24 4.20 -0.00 0.00 1.43 -1.26 -1.15 118.68 123.14 2pfr s LEU 152 Ca -0.06 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2pfr s LEU 152 Cb -0.14 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2pfr s LEU 152 CO -0.02 0.14 -0.15 -0.89 0.23 0.00 0.00 176.35 175.66 2pfr s THR 153 N 0.53 1.17 -0.16 5.49 2.01 -0.55 -0.88 115.64 123.24 2pfr s THR 153 Ca 0.10 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2pfr s THR 153 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2pfr s THR 153 CO 0.00 0.29 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.49 2pfr s GLU 154 N -0.45 3.68 -0.05 4.92 -6.30 -1.26 -0.39 118.70 118.85 2pfr s GLU 154 Ca 0.05 -0.51 -0.01 0.00 -2.50 0.00 0.00 54.97 52.00 2pfr s GLU 154 Cb -0.06 -2.93 0.03 0.00 0.00 0.00 0.00 34.13 31.17 2pfr s GLU 154 CO -0.00 0.23 0.01 -1.21 0.02 0.00 0.00 175.26 174.32 2pfr s GLU 155 N 0.39 0.34 -1.50 4.30 2.02 0.01 -4.91 118.70 119.34 2pfr s GLU 155 Ca -0.04 0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.05 2pfr s GLU 155 Cb -0.14 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.43 2pfr s GLU 155 CO 0.03 -0.24 0.66 0.54 0.02 0.00 0.00 175.26 176.27 2pfr n ARG 156 N 4.79 -5.02 -0.99 1.61 5.12 -1.26 -1.40 116.66 119.50 2pfr n ARG 156 Ca -0.14 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 2pfr n ARG 156 Cb 0.50 -5.69 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 2pfr n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pfr n GLY 157 N -1.53 0.61 3.52 -0.13 0.00 -1.26 -5.03 105.19 101.37 2pfr n GLY 157 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.51 3.48 -0.12 -0.61 1.01 -0.50 -4.84 121.20 117.11 2pfr s ILE 158 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 2pfr s ILE 158 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2pfr s ILE 158 CO 0.00 0.58 0.06 0.26 0.00 0.00 0.00 174.94 175.84 2pfr s TRP 159 N -0.55 3.33 -0.09 3.97 0.52 0.25 -0.81 118.94 125.56 2pfr s TRP 159 Ca 0.08 0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.51 2pfr s TRP 159 Cb -0.12 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2pfr s TRP 159 CO 0.02 0.49 -0.18 0.71 0.02 0.00 0.00 176.95 178.01 2pfr s TYR 160 N -0.64 2.07 -0.24 -1.98 2.02 0.48 -0.35 117.35 118.71 2pfr s TYR 160 Ca 0.11 -0.88 -0.07 0.00 -0.37 0.00 0.00 57.07 55.86 2pfr s TYR 160 Cb -0.12 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2pfr s TYR 160 CO 0.02 -0.40 0.07 -1.17 -1.57 0.00 0.00 175.55 172.50 2pfr s LEU 161 N 0.63 3.49 0.25 -1.29 2.96 -0.06 -1.49 118.68 123.17 2pfr s LEU 161 Ca -0.14 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2pfr s LEU 161 Cb -0.16 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2pfr s LEU 161 CO 0.04 -0.00 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.16 2pfr s ASP 162 N 1.43 2.73 0.07 3.68 1.01 -0.30 -0.96 116.67 124.32 2pfr s ASP 162 Ca 0.05 -1.12 0.04 0.00 0.71 0.00 0.00 52.55 52.23 2pfr s ASP 162 Cb -0.15 -0.16 -0.03 0.00 1.01 0.00 0.00 42.92 43.59 2pfr s ASP 162 CO 0.04 -0.26 -0.11 0.00 0.21 0.00 0.00 175.17 175.05 2pfr s GLN 163 N -3.69 0.74 -0.27 8.23 -2.07 -0.26 -0.95 119.66 121.39 2pfr s GLN 163 Ca 0.27 -0.97 -0.02 0.00 -1.82 0.00 0.00 55.36 52.82 2pfr s GLN 163 Cb 0.02 -0.54 0.04 0.00 -1.09 0.00 0.00 33.01 31.43 2pfr s GLN 163 CO 0.10 0.10 -0.03 0.42 -1.32 0.00 0.00 175.29 174.56 2pfr s ILE 164 N -1.77 2.95 0.27 3.63 1.01 0.60 -1.64 121.20 126.25 2pfr s ILE 164 Ca -0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 2pfr s ILE 164 Cb -0.07 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2pfr s ILE 164 CO 0.01 0.05 0.48 -0.13 0.00 0.00 0.00 174.94 175.34 2pfr s ARG 165 N 1.29 3.54 0.89 2.79 0.52 0.06 -2.06 118.95 125.97 2pfr s ARG 165 Ca -0.03 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 2pfr s ARG 165 Cb -0.18 -2.74 0.12 0.00 0.52 0.00 0.00 34.95 32.68 2pfr s ARG 165 CO -0.03 0.28 1.10 1.03 0.02 0.00 0.00 175.30 177.71 2pfr s ARG 166 N -3.71 1.31 0.76 3.54 0.52 -1.26 -4.77 118.95 115.34 2pfr s ARG 166 Ca 0.40 0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 56.04 2pfr s ARG 166 Cb -0.10 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.59 2pfr s ARG 166 CO 0.31 -2.14 1.23 -1.21 0.02 0.00 0.00 175.30 173.51 2pfr s GLU 167 N -5.09 1.92 -0.15 3.54 0.41 -1.25 -4.77 118.70 113.30 2pfr s GLU 167 Ca 0.63 1.84 0.01 0.00 -0.41 0.00 0.00 54.97 57.04 2pfr s GLU 167 Cb -0.16 -1.80 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 2pfr s GLU 167 CO 0.55 -2.02 -0.18 -0.65 -0.49 0.00 0.00 175.26 172.47 2pfr s GLN 168 N -3.92 3.13 -0.27 1.61 -0.21 -1.26 -0.26 119.66 118.47 2pfr s GLN 168 Ca 0.76 -0.80 -0.10 0.00 0.02 0.00 0.00 55.36 55.24 2pfr s GLN 168 Cb -0.31 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2pfr s GLN 168 CO 0.47 -0.00 0.16 -0.47 -2.12 0.00 0.00 175.29 173.32 2pfr s TYR 169 N 0.83 3.18 -0.27 0.91 5.04 0.13 -4.94 117.35 122.22 2pfr s TYR 169 Ca -0.06 -0.05 -0.11 0.00 -2.44 0.00 0.00 57.07 54.42 2pfr s TYR 169 Cb -0.15 -2.34 -0.05 0.00 0.35 0.00 0.00 41.96 39.77 2pfr s TYR 169 CO -0.01 -0.22 0.17 0.42 -1.34 0.00 0.00 175.55 174.57 2pfr s ILE 170 N 1.72 5.19 -0.76 3.14 -1.09 -1.26 -0.69 121.20 127.45 2pfr s ILE 170 Ca 0.07 0.13 0.25 0.00 -2.23 0.00 0.00 60.65 58.87 2pfr s ILE 170 Cb -0.16 -3.47 0.13 0.00 -1.58 0.00 0.00 42.46 37.39 2pfr s ILE 170 CO 0.09 0.26 1.54 0.35 -1.23 0.00 0.00 174.94 175.95 2pfr n THR 171 N 5.01 0.33 -3.65 2.92 -2.24 -0.61 -4.62 114.28 111.42 2pfr n THR 171 Ca -0.14 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 2pfr n THR 171 Cb 0.52 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 2pfr n THR 171 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2pfr s ASN 172 N -3.99 5.57 0.44 3.42 3.84 -1.26 -4.98 114.94 117.98 2pfr s ASN 172 Ca 0.09 -1.26 0.20 0.00 0.21 0.00 0.00 52.86 52.10 2pfr s ASN 172 Cb 0.14 -1.96 1.16 0.00 -0.55 0.00 0.00 41.25 40.04 2pfr s ASN 172 CO 0.66 -0.44 1.86 0.07 -2.79 0.00 0.00 177.10 176.46 2pfr h LYS 173 N 8.36 0.32 0.00 0.43 5.09 -1.99 -0.34 116.57 128.43 2pfr h LYS 173 Ca -0.24 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.49 2pfr h LYS 173 Cb 1.09 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.35 2pfr h LYS 173 CO 0.69 0.21 0.00 -0.85 -2.09 0.00 0.00 179.45 177.41 2pfr n GLU 174 N -4.48 0.18 -0.05 0.07 0.00 -1.26 -3.08 120.64 112.01 2pfr n GLU 174 Ca 0.19 0.51 0.04 0.00 0.00 0.00 0.00 57.16 57.91 2pfr n GLU 174 Cb 0.76 -1.92 0.07 0.00 0.00 0.00 0.00 31.44 30.35 2pfr n GLU 174 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2pfr n PHE 175 N -2.26 0.08 -0.21 -1.84 3.72 -0.14 -4.76 117.46 112.05 2pfr n PHE 175 Ca 0.01 -0.67 0.14 0.00 -0.05 0.00 0.00 57.45 56.88 2pfr n PHE 175 Cb 0.15 -0.09 0.45 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.23 0.51 -3.20 4.37 5.85 -1.55 -1.50 115.31 120.02 2pfr h LEU 176 Ca 0.00 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2pfr h LEU 176 Cb 0.71 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 2pfr h LEU 176 CO 0.01 0.26 -0.29 0.59 -0.34 0.00 0.00 178.44 178.67 2pfr n ASN 177 N -4.51 2.18 -4.69 1.25 5.03 -1.26 -5.02 115.26 108.24 2pfr n ASN 177 Ca 0.15 -3.85 -0.43 0.00 0.87 0.00 0.00 54.58 51.32 2pfr n ASN 177 Cb 0.49 -0.58 -0.01 0.00 -1.02 0.00 0.00 39.78 38.66 2pfr n ASN 177 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2pfr n SER 178 N -1.12 2.68 0.00 6.41 2.88 -0.57 -4.86 113.62 119.05 2pfr n SER 178 Ca 0.27 1.19 0.06 0.00 -1.33 0.00 0.00 58.87 59.06 2pfr n SER 178 Cb 0.88 -1.46 0.28 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.74 0.00 0.27 0.66 1.44 -1.26 -2.15 115.22 114.92 2pfr n HIS 179 Ca 0.07 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.93 2pfr n HIS 179 Cb 0.35 -0.37 0.48 0.00 0.12 0.00 0.00 29.99 30.57 2pfr n HIS 179 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2pfr h LEU 180 N 0.00 0.00 -9.47 2.39 3.38 -1.89 -3.42 115.31 106.30 2pfr h LEU 180 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2pfr h LEU 180 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2pfr h LEU 180 CO 0.00 0.00 0.16 -0.76 0.09 0.00 0.00 178.44 177.93 2pfr s LEU 181 N -6.08 4.40 0.34 1.67 1.43 -0.92 -1.03 118.68 118.50 2pfr s LEU 181 Ca 0.04 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 2pfr s LEU 181 Cb 0.08 -3.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.96 2pfr s LEU 181 CO 0.59 -0.05 1.54 -2.84 0.23 0.00 0.00 176.35 175.82 2pfr s PRO 182 N 0.31 4.11 -0.16 1.29 0.02 -1.26 -4.93 135.00 134.37 2pfr s PRO 182 Ca 0.40 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 63.78 2pfr s PRO 182 Cb -0.20 -2.99 -0.23 0.00 0.02 0.00 0.00 34.50 31.10 2pfr s PRO 182 CO 0.22 -0.59 0.45 1.57 -0.33 0.00 0.00 177.00 178.33 2pfr h LYS 183 N 3.89 0.06 -6.24 5.54 2.10 -1.97 -3.48 116.57 116.48 2pfr h LYS 183 Ca -0.49 -0.10 -0.56 0.00 -2.00 0.00 0.00 60.65 57.50 2pfr h LYS 183 Cb 1.23 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.57 2pfr h LYS 183 CO 0.71 1.05 -0.28 0.15 -2.00 0.00 0.00 179.45 179.08 2pfr s LYS 184 N -2.35 3.62 0.07 0.07 1.02 -1.26 -5.01 119.74 115.90 2pfr s LYS 184 Ca -0.24 -0.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 2pfr s LYS 184 Cb 0.03 -2.80 -0.13 0.00 -0.52 0.00 0.00 37.83 34.41 2pfr s LYS 184 CO 0.66 0.41 1.34 0.87 -0.92 0.00 0.00 175.35 177.71 2pfr h LYS 185 N 2.53 0.60 -5.53 1.68 1.57 -1.92 -3.40 116.57 112.10 2pfr h LYS 185 Ca -0.47 -0.38 -0.64 0.00 -1.87 0.00 0.00 60.65 57.30 2pfr h LYS 185 Cb 1.17 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 2pfr h LYS 185 CO 0.71 0.99 0.30 -1.01 -0.57 0.00 0.00 179.45 179.87 2pfr s HIS 186 N -4.09 2.95 -0.12 -1.35 3.76 -1.26 -0.76 115.29 114.42 2pfr s HIS 186 Ca -0.13 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.69 2pfr s HIS 186 Cb 0.07 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.05 2pfr s HIS 186 CO 0.82 -1.10 -0.21 -0.65 -0.85 0.00 0.00 174.74 172.75 2pfr s GLN 187 N 3.25 3.10 0.15 1.40 -1.52 -0.65 -5.01 119.66 120.38 2pfr s GLN 187 Ca 0.25 -0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 52.52 2pfr s GLN 187 Cb -0.14 -2.43 -0.07 0.00 -0.22 0.00 0.00 33.01 30.15 2pfr s GLN 187 CO 0.18 0.09 1.17 0.15 -0.25 0.00 0.00 175.29 176.63 2pfr s LYS 188 N 0.57 4.51 -0.06 2.91 1.02 -1.26 -1.10 119.74 126.33 2pfr s LYS 188 Ca -0.12 1.80 -0.07 0.00 0.02 0.00 0.00 55.97 57.60 2pfr s LYS 188 Cb -0.17 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2pfr s LYS 188 CO 0.04 -0.08 -0.14 -0.89 -0.92 0.00 0.00 175.35 173.36 2pfr n ILE 189 N 2.81 0.70 -3.92 2.17 5.41 -0.14 -4.75 119.36 121.65 2pfr n ILE 189 Ca 0.05 0.31 -0.08 0.00 1.00 0.00 0.00 62.75 64.02 2pfr n ILE 189 Cb 0.46 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 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 -1.84 0.12 0.23 1.39 -0.85 -1.06 -0.87 117.35 114.47 2pfr s TYR 190 Ca -0.12 -0.56 0.09 0.00 -0.52 0.00 0.00 57.07 55.97 2pfr s TYR 190 Cb 0.02 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 2pfr s TYR 190 CO 0.17 -1.19 -0.16 -0.48 -1.52 0.00 0.00 175.55 172.37 2pfr s LEU 191 N -2.99 2.57 0.27 -3.49 0.05 -0.51 -0.89 118.68 113.69 2pfr s LEU 191 Ca 0.17 -1.03 -0.20 0.00 0.05 0.00 0.00 54.13 53.12 2pfr s LEU 191 Cb -0.04 -0.81 0.05 0.00 -2.05 0.00 0.00 46.19 43.34 2pfr s LEU 191 CO 0.09 -0.11 0.84 0.72 -0.55 0.00 0.00 176.35 177.34 2pfr s PHE 192 N -2.82 -0.05 0.23 3.48 -0.12 0.52 -0.16 117.98 119.06 2pfr s PHE 192 Ca 0.25 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 2pfr s PHE 192 Cb -0.02 0.73 -0.05 0.00 -0.63 0.00 0.00 43.02 43.05 2pfr s PHE 192 CO 0.10 -1.21 -0.02 0.95 -0.05 0.00 0.00 175.22 174.98 2pfr s THR 193 N -3.05 1.15 -2.06 -4.49 -4.23 -1.25 -0.59 115.64 101.13 2pfr s THR 193 Ca 0.14 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 2pfr s THR 193 Cb -0.04 -2.32 0.30 0.00 1.34 0.00 0.00 72.50 71.78 2pfr s THR 193 CO 0.07 -0.36 1.31 0.18 -0.54 0.00 0.00 174.62 175.28 2pfr n LEU 194 N -0.43 1.37 -4.66 4.79 4.77 -1.26 -4.51 117.00 117.06 2pfr n LEU 194 Ca -0.06 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 2pfr n LEU 194 Cb 0.63 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2pfr n LEU 194 CO 0.37 0.33 1.42 -0.70 -1.33 0.00 0.00 177.39 177.48 2pfr s GLU 195 N -1.70 4.17 0.35 3.23 2.12 -1.26 -4.95 118.70 120.67 2pfr s GLU 195 Ca 0.22 2.32 -0.28 0.00 0.36 0.00 0.00 54.97 57.58 2pfr s GLU 195 Cb 0.11 -3.97 -0.11 0.00 0.26 0.00 0.00 34.13 30.42 2pfr s GLU 195 CO 0.16 -0.86 1.43 -2.14 -0.54 0.00 0.00 175.26 173.31 2pfr s PRO 196 N 3.94 4.20 0.30 4.30 0.02 -1.26 -4.58 135.00 141.91 2pfr s PRO 196 Ca 0.77 2.44 0.11 0.00 0.02 0.00 0.00 61.00 64.34 2pfr s PRO 196 Cb -0.37 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 2pfr s PRO 196 CO 0.33 -0.42 -0.12 1.03 -0.33 0.00 0.00 177.00 177.49 2pfr s ARG 197 N -1.85 1.84 0.42 5.54 1.81 -0.04 -5.03 118.95 121.65 2pfr s ARG 197 Ca 0.52 -1.76 0.07 0.00 -1.72 0.00 0.00 55.73 52.85 2pfr s ARG 197 Cb -0.44 -1.83 -0.05 0.00 -0.45 0.00 0.00 34.95 32.18 2pfr s ARG 197 CO 0.58 0.27 0.19 0.95 -0.68 0.00 0.00 175.30 176.61 2pfr s THR 198 N -2.51 2.30 0.28 0.02 -4.23 -1.26 -4.30 115.64 105.94 2pfr s THR 198 Ca 0.31 -1.69 0.21 0.00 -1.18 0.00 0.00 61.69 59.35 2pfr s THR 198 Cb -0.03 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.02 2pfr s THR 198 CO 0.17 0.00 1.88 -0.29 -0.54 0.00 0.00 174.62 175.83 2pfr h ILE 199 N 1.41 0.80 0.00 2.99 6.09 -2.00 -2.15 117.51 124.65 2pfr h ILE 199 Ca -0.43 -1.08 -0.01 0.00 -1.37 0.00 0.00 64.86 61.97 2pfr h ILE 199 Cb 1.25 1.66 -0.00 0.00 0.47 0.00 0.00 36.82 40.20 2pfr h ILE 199 CO 0.70 0.26 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.65 2pfr h GLU 200 N 0.00 0.00 0.00 2.19 3.07 -1.99 -0.18 114.58 117.67 2pfr h GLU 200 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pfr h GLU 200 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2pfr h GLU 200 CO 0.03 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.45 2pfr n ASP 201 N -3.88 0.09 -0.38 1.42 8.00 -0.81 -2.33 116.55 118.66 2pfr n ASP 201 Ca -0.03 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.05 2pfr n ASP 201 Cb 0.15 -0.55 0.06 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.61 0.13 -0.12 1.24 3.72 -0.08 -4.73 117.46 116.02 2pfr n PHE 202 Ca 0.02 -0.19 -0.10 0.00 -0.05 0.00 0.00 57.45 57.12 2pfr n PHE 202 Cb 0.09 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 2pfr n PHE 202 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2pfr h GLU 203 N 1.57 0.57 -0.61 -1.08 4.57 -1.51 0.13 114.58 118.22 2pfr h GLU 203 Ca 0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2pfr h GLU 203 Cb 0.47 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2pfr h GLU 203 CO 0.00 0.62 0.33 1.03 -1.18 0.00 0.00 179.01 179.81 2pfr h SER 204 N 0.43 0.77 0.42 1.04 0.87 -1.85 -2.76 113.55 112.47 2pfr h SER 204 Ca 0.11 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 2pfr h SER 204 Cb 0.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2pfr h SER 204 CO 0.00 0.65 -0.50 0.24 -0.53 0.00 0.00 176.83 176.69 2pfr h MET 205 N 0.83 0.10 -0.74 2.24 2.86 -1.83 -0.85 114.93 117.55 2pfr h MET 205 Ca 0.21 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2pfr h MET 205 Cb 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2pfr h MET 205 CO -0.03 0.58 0.45 -0.97 1.06 0.00 0.00 176.91 178.00 2pfr h ASN 206 N 0.08 0.73 -0.07 1.22 -1.24 -0.70 0.38 115.58 115.98 2pfr h ASN 206 Ca 0.00 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 2pfr h ASN 206 Cb 0.92 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 2pfr h ASN 206 CO 0.07 0.49 -0.01 0.74 -1.29 0.00 0.00 177.43 177.43 2pfr h THR 207 N 0.87 1.28 -0.59 -3.57 2.02 -1.32 -3.17 112.91 108.43 2pfr h THR 207 Ca 0.31 -0.90 0.10 0.00 0.77 0.00 0.00 66.41 66.69 2pfr h THR 207 Cb 0.08 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 2pfr h THR 207 CO -0.13 0.25 0.19 0.22 0.37 0.00 0.00 175.52 176.41 2pfr h TYR 208 N -0.19 0.32 0.00 3.16 3.20 -0.73 -1.47 116.97 121.26 2pfr h TYR 208 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2pfr h TYR 208 Cb 0.40 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2pfr h TYR 208 CO 0.05 0.06 0.00 -0.07 -1.64 0.00 0.00 178.16 176.55 2pfr h LEU 209 N 0.35 0.00 0.00 2.82 3.38 -0.99 0.19 115.31 121.06 2pfr h LEU 209 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2pfr h LEU 209 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pfr h LEU 209 CO -0.33 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.47 2pfr n GLN 210 N -3.06 0.11 0.00 1.13 6.02 -0.62 -4.50 117.38 116.46 2pfr n GLN 210 Ca -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2pfr n GLN 210 Cb 0.26 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.69 0.00 -2.17 5.09 -2.24 -0.75 -4.96 114.28 107.56 2pfr n THR 211 Ca 0.04 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 2pfr n THR 211 Cb 0.37 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.71 6.81 0.26 3.42 0.15 0.58 -4.89 113.70 118.32 2pfr s SER 212 Ca 0.00 2.62 0.23 0.00 0.70 0.00 0.00 55.95 59.50 2pfr s SER 212 Cb 0.00 -2.64 0.99 0.00 -1.71 0.00 0.00 66.02 62.65 2pfr s SER 212 CO 0.00 -0.50 1.69 -0.81 1.20 0.00 0.00 173.24 174.82 2pfr n PRO 213 N 0.80 0.18 0.07 5.44 -0.04 -1.26 -1.57 135.00 138.62 2pfr n PRO 213 Ca 0.00 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2pfr n PRO 213 Cb 0.42 -1.87 0.47 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.21 0.44 -2.44 0.52 -2.24 -1.26 -4.87 114.28 102.22 2pfr n THR 214 Ca 0.02 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 2pfr n THR 214 Cb 0.20 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 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 -4.02 6.95 0.47 3.42 0.15 -0.61 -4.89 113.70 115.16 2pfr s SER 215 Ca 0.11 1.65 0.31 0.00 0.70 0.00 0.00 55.95 58.73 2pfr s SER 215 Cb 0.14 -2.54 1.31 0.00 -1.71 0.00 0.00 66.02 63.22 2pfr s SER 215 CO 0.56 -0.77 1.92 0.28 1.20 0.00 0.00 173.24 176.44 2pfr h SER 216 N 8.18 0.00 0.67 5.45 0.02 -1.89 -2.73 113.55 123.25 2pfr h SER 216 Ca -0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 2pfr h SER 216 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2pfr h SER 216 CO 0.97 0.00 -0.28 -0.26 -1.14 0.00 0.00 176.83 176.12 2pfr h PHE 217 N 0.00 0.00 -0.19 3.45 0.04 -1.83 -1.99 116.94 116.42 2pfr h PHE 217 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2pfr h PHE 217 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2pfr h PHE 217 CO 0.00 0.28 -0.58 0.82 -0.60 0.00 0.00 178.31 178.24 2pfr h ILE 218 N 0.00 1.32 -0.37 -0.55 2.04 -1.71 -3.29 117.51 114.95 2pfr h ILE 218 Ca -0.00 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2pfr h ILE 218 Cb 0.70 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2pfr h ILE 218 CO 0.04 0.57 0.00 0.35 0.00 0.00 0.00 178.15 179.11 2pfr n THR 219 N -3.95 0.58 -3.73 -0.27 -2.24 -1.10 -4.91 114.28 98.64 2pfr n THR 219 Ca -0.04 -0.79 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 2pfr n THR 219 Cb 0.62 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.28 0.00 -0.15 4.28 2.01 -0.76 -2.88 115.64 116.86 2pfr s THR 220 Ca 0.34 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 2pfr s THR 220 Cb 0.19 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.46 2pfr s THR 220 CO 0.27 0.17 0.56 -0.94 -0.69 0.00 0.00 174.62 173.99 2pfr s SER 221 N 1.82 6.70 -0.04 3.53 1.04 -0.76 -4.64 113.70 121.34 2pfr s SER 221 Ca 0.01 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 2pfr s SER 221 Cb -0.12 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2pfr s SER 221 CO -0.03 -0.13 0.09 0.12 0.98 0.00 0.00 173.24 174.27 2pfr s PHE 222 N 1.22 -0.08 -0.02 5.02 5.36 -1.26 -0.74 117.98 127.48 2pfr s PHE 222 Ca 0.28 0.31 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 2pfr s PHE 222 Cb -0.16 -0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 2pfr s PHE 222 CO 0.11 -0.12 -0.02 0.00 -1.46 0.00 0.00 175.22 173.73 2pfr s SER 224 N 0.52 0.80 -0.09 0.00 1.04 0.63 -0.41 113.70 116.19 2pfr s SER 224 Ca -0.05 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 2pfr s SER 224 Cb -0.08 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.12 2pfr s SER 224 CO -0.01 -0.26 0.23 -0.22 0.98 0.00 0.00 173.24 173.97 2pfr s LEU 225 N -1.77 0.87 0.40 2.42 2.96 -0.08 -1.05 118.68 122.42 2pfr s LEU 225 Ca -0.08 0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 54.19 2pfr s LEU 225 Cb -0.08 0.75 -0.07 0.00 0.50 0.00 0.00 46.19 47.29 2pfr s LEU 225 CO -0.01 -0.11 0.79 -1.10 -1.32 0.00 0.00 176.35 174.60 2pfr s GLN 226 N 0.55 3.86 0.32 1.98 -1.52 -0.91 -0.83 119.66 123.11 2pfr s GLN 226 Ca -0.04 0.58 0.03 0.00 -1.95 0.00 0.00 55.36 53.98 2pfr s GLN 226 Cb -0.05 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 2pfr s GLN 226 CO -0.03 -0.01 0.09 0.95 -0.25 0.00 0.00 175.29 176.04 2pfr s THR 227 N -2.30 0.80 -0.91 -0.19 -4.23 0.20 -4.25 115.64 104.75 2pfr s THR 227 Ca 0.53 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2pfr s THR 227 Cb -0.10 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.20 2pfr s THR 227 CO 0.28 0.00 1.32 -2.65 -0.54 0.00 0.00 174.62 173.03 2pfr n PRO 228 N -0.67 0.02 0.00 3.99 -0.02 -1.26 -3.41 135.00 133.66 2pfr n PRO 228 Ca -0.02 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2pfr n PRO 228 Cb 0.66 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2pfr n PRO 228 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2pfr n GLU 229 N -1.60 3.97 0.00 -0.52 1.02 -1.26 -5.09 120.64 117.15 2pfr n GLU 229 Ca 0.02 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2pfr n GLU 229 Cb 0.10 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 2pfr n GLU 229 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pfr n GLY 230 N 0.60 1.19 3.18 0.62 0.00 -1.22 -1.37 105.19 108.19 2pfr n GLY 230 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2pfr n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pfr s VAL 231 N -1.86 -0.03 -0.04 1.61 0.11 -0.40 -0.63 120.40 119.17 2pfr s VAL 231 Ca 0.00 0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.99 2pfr s VAL 231 Cb 0.00 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2pfr s VAL 231 CO 0.00 0.04 0.42 -0.31 -3.33 0.00 0.00 175.10 171.92 2pfr s TYR 232 N 1.10 3.66 -0.07 1.54 2.02 -0.01 -1.12 117.35 124.46 2pfr s TYR 232 Ca -0.08 0.95 -0.03 0.00 -0.37 0.00 0.00 57.07 57.54 2pfr s TYR 232 Cb -0.08 -2.37 0.04 0.00 -0.40 0.00 0.00 41.96 39.15 2pfr s TYR 232 CO -0.08 0.49 0.14 0.00 -1.57 0.00 0.00 175.55 174.52 2pfr s LEU 234 N 1.81 3.24 -0.26 0.00 2.96 0.45 -0.43 118.68 126.45 2pfr s LEU 234 Ca -0.02 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2pfr s LEU 234 Cb -0.12 -1.78 0.06 0.00 0.50 0.00 0.00 46.19 44.85 2pfr s LEU 234 CO -0.05 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.13 2pfr s VAL 235 N 1.48 1.97 0.00 1.68 1.01 -0.44 -1.33 120.40 124.76 2pfr s VAL 235 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2pfr s VAL 235 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2pfr s VAL 235 CO -0.01 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2pfr n GLY 236 N 4.49 3.09 0.58 4.51 0.00 0.08 -1.88 105.19 116.06 2pfr n GLY 236 Ca -0.12 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 8.09 0.00 -3.30 1.61 3.72 -1.26 -4.79 117.46 121.53 2pfr n PHE 237 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 2pfr n PHE 237 Cb 0.00 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 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 -2.31 5.09 -0.09 4.37 -1.09 -0.79 0.47 121.20 126.85 2pfr s ILE 238 Ca 0.24 -0.79 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 2pfr s ILE 238 Cb 0.19 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2pfr s ILE 238 CO 0.47 -0.65 0.72 -0.22 -1.23 0.00 0.00 174.94 174.03 2pfr s LEU 239 N 2.05 4.28 0.01 2.97 2.96 -0.06 -1.33 118.68 129.57 2pfr s LEU 239 Ca 0.09 1.16 0.06 0.00 -0.22 0.00 0.00 54.13 55.22 2pfr s LEU 239 Cb -0.22 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 2pfr s LEU 239 CO 0.09 -0.17 -0.19 0.42 -1.32 0.00 0.00 176.35 175.17 2pfr s THR 240 N 1.10 1.54 -0.08 3.68 -4.23 0.43 -0.46 115.64 117.63 2pfr s THR 240 Ca 0.37 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2pfr s THR 240 Cb -0.17 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.36 2pfr s THR 240 CO 0.17 0.32 -0.18 -0.47 -0.54 0.00 0.00 174.62 173.92 2pfr s TYR 241 N -0.61 1.96 -0.16 3.99 5.04 -0.75 -0.95 117.35 125.88 2pfr s TYR 241 Ca 0.07 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 2pfr s TYR 241 Cb -0.08 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.88 2pfr s TYR 241 CO 0.00 -0.32 -0.16 0.50 -1.34 0.00 0.00 175.55 174.23 2pfr s ARG 242 N 0.45 3.18 -0.31 4.97 3.52 -0.28 -0.44 118.95 130.04 2pfr s ARG 242 Ca -0.15 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.55 2pfr s ARG 242 Cb -0.16 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 2pfr s ARG 242 CO 0.06 -0.03 0.30 0.21 -0.81 0.00 0.00 175.30 175.03 2pfr s LYS 243 N 0.92 3.73 0.30 5.12 2.20 0.16 -1.27 119.74 130.90 2pfr s LYS 243 Ca -0.03 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 2pfr s LYS 243 Cb -0.15 -3.74 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 2pfr s LYS 243 CO -0.02 -0.37 1.18 -0.06 -0.36 0.00 0.00 175.35 175.71 2pfr s PHE 244 N 1.91 3.37 -1.29 4.03 0.08 -0.47 -1.46 117.98 124.14 2pfr s PHE 244 Ca 0.10 1.59 -0.00 0.00 0.12 0.00 0.00 56.93 58.74 2pfr s PHE 244 Cb -0.16 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2pfr s PHE 244 CO 0.11 -1.05 0.74 -1.71 -0.10 0.00 0.00 175.22 173.21 2pfr n ASN 245 N 0.99 -1.28 0.06 1.36 5.15 -1.21 -4.89 115.26 115.45 2pfr n ASN 245 Ca -0.00 -0.79 -0.13 0.00 -0.60 0.00 0.00 54.58 53.06 2pfr n ASN 245 Cb 0.44 -4.21 -0.07 0.00 -0.53 0.00 0.00 39.78 35.41 2pfr n ASN 245 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2pfr h TYR 246 N -1.87 -0.07 -1.59 1.20 3.20 -0.53 -3.46 116.97 113.84 2pfr h TYR 246 Ca -0.61 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.33 2pfr h TYR 246 Cb 1.36 0.02 -0.23 0.00 1.54 0.00 0.00 36.73 39.42 2pfr h TYR 246 CO 0.46 -0.01 0.52 -1.59 -1.64 0.00 0.00 178.16 175.90 2pfr s LYS 247 N -6.01 0.63 -1.35 1.82 -2.85 -1.19 -4.99 119.74 105.80 2pfr s LYS 247 Ca -0.14 0.16 -0.07 0.00 -1.00 0.00 0.00 55.97 54.92 2pfr s LYS 247 Cb 0.05 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.14 2pfr s LYS 247 CO 0.66 -0.20 1.06 -0.40 0.10 0.00 0.00 175.35 176.57 2pfr n ASP 248 N 0.76 -4.58 -4.11 0.03 5.75 -1.26 -2.14 116.55 111.00 2pfr n ASP 248 Ca -0.11 -0.63 -0.29 0.00 -0.01 0.00 0.00 54.79 53.76 2pfr n ASP 248 Cb 0.58 -4.77 -0.05 0.00 -1.03 0.00 0.00 41.12 35.85 2pfr n ASP 248 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2pfr n ASN 249 N -3.02 -0.31 -4.06 -1.12 3.02 -1.26 -4.96 115.26 103.55 2pfr n ASN 249 Ca -0.09 -1.09 -0.20 0.00 -0.03 0.00 0.00 54.58 53.17 2pfr n ASN 249 Cb 0.59 -2.55 -0.15 0.00 -0.61 0.00 0.00 39.78 37.06 2pfr n ASN 249 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pfr s THR 250 N -3.99 0.88 0.34 3.41 2.01 -0.91 -3.93 115.64 113.45 2pfr s THR 250 Ca 0.11 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 2pfr s THR 250 Cb -0.06 -0.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 2pfr s THR 250 CO 0.93 0.25 0.75 -1.81 -0.69 0.00 0.00 174.62 174.05 2pfr s ASP 251 N -0.22 6.71 -0.12 3.53 1.01 0.65 0.01 116.67 128.24 2pfr s ASP 251 Ca 0.04 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.53 2pfr s ASP 251 Cb -0.05 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2pfr s ASP 251 CO -0.00 -0.25 -0.07 -0.22 0.21 0.00 0.00 175.17 174.83 2pfr s LEU 252 N -3.19 3.07 -0.10 1.23 0.20 -0.54 0.17 118.68 119.52 2pfr s LEU 252 Ca 0.54 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 55.21 2pfr s LEU 252 Cb -0.10 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2pfr s LEU 252 CO 0.21 0.23 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.71 2pfr s VAL 253 N -0.02 1.16 -0.06 1.68 1.01 0.13 -0.66 120.40 123.64 2pfr s VAL 253 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2pfr s VAL 253 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2pfr s VAL 253 CO 0.03 0.38 0.12 -1.61 0.00 0.00 0.00 175.10 174.02 2pfr s GLU 254 N 1.36 3.28 0.01 2.72 2.02 0.41 -1.58 118.70 126.93 2pfr s GLU 254 Ca -0.01 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 54.72 2pfr s GLU 254 Cb -0.14 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 2pfr s GLU 254 CO -0.05 0.71 -0.14 -0.06 0.02 0.00 0.00 175.26 175.74 2pfr s PHE 255 N -1.12 1.24 -0.09 1.61 0.08 -1.26 -1.81 117.98 116.64 2pfr s PHE 255 Ca 0.20 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 2pfr s PHE 255 Cb -0.12 -0.77 0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2pfr s PHE 255 CO 0.10 0.01 0.22 0.21 -0.10 0.00 0.00 175.22 175.65 2pfr s LYS 256 N -0.73 0.19 -0.17 0.44 2.20 0.39 -4.87 119.74 117.18 2pfr s LYS 256 Ca 0.04 0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.83 2pfr s LYS 256 Cb -0.07 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.16 2pfr s LYS 256 CO 0.00 -0.14 0.90 0.99 -0.36 0.00 0.00 175.35 176.75 2pfr s THR 257 N 1.01 4.83 0.17 3.43 2.01 -1.26 -0.88 115.64 124.94 2pfr s THR 257 Ca -0.07 1.77 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 2pfr s THR 257 Cb -0.09 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 2pfr s THR 257 CO -0.06 -0.02 0.46 -0.76 -0.69 0.00 0.00 174.62 173.55 2pfr s LEU 258 N 2.35 4.24 0.77 4.42 1.43 0.18 -4.99 118.68 127.07 2pfr s LEU 258 Ca 0.41 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 2pfr s LEU 258 Cb -0.17 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 42.70 2pfr s LEU 258 CO 0.12 0.02 1.09 0.42 0.23 0.00 0.00 176.35 178.24 2pfr s THR 259 N -1.67 3.24 0.18 5.49 -4.23 -1.26 -4.85 115.64 112.53 2pfr s THR 259 Ca 0.42 0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 61.20 2pfr s THR 259 Cb -0.12 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.58 2pfr s THR 259 CO 0.22 -0.53 1.76 -0.33 -0.54 0.00 0.00 174.62 175.20 2pfr h GLU 260 N -0.95 0.37 -0.65 3.99 5.08 -1.98 -2.18 114.58 118.26 2pfr h GLU 260 Ca -0.46 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2pfr h GLU 260 Cb 1.26 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2pfr h GLU 260 CO 0.60 0.25 0.43 0.93 -1.00 0.00 0.00 179.01 180.22 2pfr h GLU 261 N 0.38 0.74 0.00 2.33 3.07 -2.04 -2.51 114.58 116.55 2pfr h GLU 261 Ca 0.22 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2pfr h GLU 261 Cb 0.20 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2pfr h GLU 261 CO -0.21 0.49 -0.13 0.93 -1.40 0.00 0.00 179.01 178.69 2pfr h GLU 262 N 0.76 0.00 -0.35 2.33 5.08 -1.77 -3.30 114.58 117.32 2pfr h GLU 262 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pfr h GLU 262 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2pfr h GLU 262 CO -0.07 0.13 0.23 0.28 -1.00 0.00 0.00 179.01 178.57 2pfr h VAL 263 N 0.00 1.10 -0.79 3.13 2.07 -1.08 -1.56 116.25 119.11 2pfr h VAL 263 Ca -0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2pfr h VAL 263 Cb 0.82 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2pfr h VAL 263 CO 0.02 0.09 0.51 -0.08 0.02 0.00 0.00 177.57 178.13 2pfr h GLU 264 N 0.47 0.99 -0.35 1.57 4.81 -1.70 0.12 114.58 120.49 2pfr h GLU 264 Ca 0.13 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2pfr h GLU 264 Cb -0.04 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2pfr h GLU 264 CO -0.03 0.66 -0.12 0.93 -0.73 0.00 0.00 179.01 179.73 2pfr h GLU 265 N 1.02 0.70 -0.33 1.92 4.39 -1.67 -2.14 114.58 118.47 2pfr h GLU 265 Ca 0.30 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2pfr h GLU 265 Cb -0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2pfr h GLU 265 CO -0.09 0.87 0.16 0.28 -1.16 0.00 0.00 179.01 179.07 2pfr h VAL 266 N 0.48 1.16 -0.61 3.13 2.07 -0.89 -1.33 116.25 120.27 2pfr h VAL 266 Ca 0.08 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2pfr h VAL 266 Cb 0.63 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2pfr h VAL 266 CO 0.04 0.16 0.28 -0.07 0.02 0.00 0.00 177.57 178.01 2pfr h LEU 267 N 0.40 0.37 0.28 2.57 3.38 -0.70 -0.95 115.31 120.65 2pfr h LEU 267 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2pfr h LEU 267 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2pfr h LEU 267 CO -0.01 0.23 -0.13 0.50 0.09 0.00 0.00 178.44 179.11 2pfr h LYS 268 N 0.52 -0.36 0.15 1.13 3.64 -1.13 0.02 116.57 120.54 2pfr h LYS 268 Ca 0.29 0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.37 2pfr h LYS 268 Cb 0.27 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2pfr h LYS 268 CO -0.23 -0.16 -1.59 -0.91 -2.27 0.00 0.00 179.45 174.29 2pfr h ASN 269 N -0.48 0.48 0.01 4.20 2.35 -1.11 -2.40 115.58 118.63 2pfr h ASN 269 Ca -0.04 -0.67 -0.22 0.00 -0.55 0.00 0.00 56.30 54.82 2pfr h ASN 269 Cb 0.36 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2pfr h ASN 269 CO 0.06 1.56 -1.20 0.40 -1.65 0.00 0.00 177.43 176.60 2pfr h ILE 270 N 0.08 0.98 0.00 2.81 2.04 -1.35 -3.42 117.51 118.65 2pfr h ILE 270 Ca -0.27 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.38 2pfr h ILE 270 Cb 2.05 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 40.48 2pfr h ILE 270 CO 0.17 0.38 -0.88 0.49 0.00 0.00 0.00 178.15 178.31 2pfr n PHE 271 N -4.38 0.04 -3.23 1.37 3.72 -1.00 -4.97 117.46 109.02 2pfr n PHE 271 Ca -0.30 0.01 -0.23 0.00 -0.05 0.00 0.00 57.45 56.88 2pfr n PHE 271 Cb 0.69 -0.17 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.60 -5.82 -4.23 -1.08 4.76 -0.36 -4.80 118.16 105.03 2pfr n LYS 272 Ca 0.04 0.87 -0.34 0.00 -2.87 0.00 0.00 58.31 56.00 2pfr n LYS 272 Cb 0.36 -5.79 -0.12 0.00 -1.84 0.00 0.00 35.03 27.64 2pfr n LYS 272 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2pfr s ILE 273 N -3.22 4.02 -0.11 -0.18 1.01 -0.15 -4.71 121.20 117.85 2pfr s ILE 273 Ca 0.40 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.78 2pfr s ILE 273 Cb -0.18 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.51 2pfr s ILE 273 CO 0.50 0.46 -0.19 -0.44 0.00 0.00 0.00 174.94 175.27 2pfr s SER 274 N 0.60 2.75 -0.06 3.58 0.01 -1.26 -2.60 113.70 116.72 2pfr s SER 274 Ca -0.01 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 2pfr s SER 274 Cb -0.14 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 2pfr s SER 274 CO 0.02 0.07 0.21 -0.76 0.41 0.00 0.00 173.24 173.19 2pfr s LEU 275 N 0.78 4.39 0.00 2.44 1.43 -1.26 -5.00 118.68 121.46 2pfr s LEU 275 Ca -0.10 0.54 0.25 0.00 -1.03 0.00 0.00 54.13 53.80 2pfr s LEU 275 Cb -0.16 -2.37 0.59 0.00 0.03 0.00 0.00 46.19 44.28 2pfr s LEU 275 CO 0.01 0.34 1.47 0.61 0.23 0.00 0.00 176.35 179.01 2pfr n GLY 276 N 1.59 -1.24 3.38 -3.19 0.00 -1.26 -4.92 105.19 99.56 2pfr n GLY 276 Ca -0.16 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.97 1.52 0.19 1.61 0.52 -1.26 -5.12 118.95 113.43 2pfr s ARG 277 Ca 0.12 -1.82 -0.31 0.00 -0.52 0.00 0.00 55.73 53.20 2pfr s ARG 277 Cb 0.18 -0.61 -0.10 0.00 0.52 0.00 0.00 34.95 34.94 2pfr s ARG 277 CO 0.67 -0.21 1.48 1.21 0.02 0.00 0.00 175.30 178.47 2pfr s ASN 278 N -3.40 6.67 -0.02 0.23 2.47 -1.26 -4.97 114.94 114.65 2pfr s ASN 278 Ca 0.36 2.58 -0.12 0.00 0.42 0.00 0.00 52.86 56.10 2pfr s ASN 278 Cb 0.08 -2.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 2pfr s ASN 278 CO 0.14 -0.73 0.34 -0.22 -3.72 0.00 0.00 177.10 172.90 2pfr s LEU 279 N 0.47 4.44 -0.55 3.21 2.96 -1.26 -4.31 118.68 123.64 2pfr s LEU 279 Ca 0.64 0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 2pfr s LEU 279 Cb -0.42 -2.50 0.14 0.00 0.50 0.00 0.00 46.19 43.92 2pfr s LEU 279 CO 0.36 0.33 0.35 -0.69 -1.32 0.00 0.00 176.35 175.38 2pfr s VAL 280 N -1.11 3.51 0.51 1.68 1.01 -0.24 -5.01 120.40 120.75 2pfr s VAL 280 Ca 0.23 -2.68 -0.22 0.00 0.00 0.00 0.00 61.98 59.30 2pfr s VAL 280 Cb -0.15 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 2pfr s VAL 280 CO 0.12 -0.81 1.25 -2.84 0.00 0.00 0.00 175.10 172.82 2pfr s PRO 281 N 0.32 3.43 -0.04 2.72 0.02 -1.26 -4.87 135.00 135.32 2pfr s PRO 281 Ca 0.14 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.15 2pfr s PRO 281 Cb -0.21 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.02 2pfr s PRO 281 CO -0.04 -0.88 -0.06 0.15 -0.33 0.00 0.00 177.00 175.85 2pfr s LYS 282 N -2.84 0.92 0.33 5.54 1.02 -1.26 -4.95 119.74 118.51 2pfr s LYS 282 Ca 0.68 -0.17 0.10 0.00 0.02 0.00 0.00 55.97 56.60 2pfr s LYS 282 Cb -0.34 -0.88 0.59 0.00 -0.52 0.00 0.00 37.83 36.68 2pfr s LYS 282 CO 0.40 -0.03 1.77 -1.00 -0.92 0.00 0.00 175.35 175.56 2pfr h PRO 283 N 6.99 0.12 0.00 -1.68 0.13 -1.87 -2.01 132.00 133.68 2pfr h PRO 283 Ca -0.37 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pfr h PRO 283 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pfr h PRO 283 CO 0.48 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2pfr n GLY 284 N -0.33 -2.25 0.39 1.56 0.00 -1.14 -4.57 105.19 98.85 2pfr n GLY 284 Ca -0.02 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.08 1.78 0.00 1.61 5.75 -1.26 -4.96 116.55 119.39 2pfr n ASP 285 Ca 0.00 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 2pfr n ASP 285 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 2pfr n ASP 285 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pfr n GLY 286 N -1.03 0.59 0.18 6.12 0.00 -1.26 -4.95 105.19 104.84 2pfr n GLY 286 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.47 -3.64 1.61 0.02 -1.93 -3.41 113.55 106.68 2pfr h SER 287 Ca 0.00 -0.28 -0.70 0.00 -0.84 0.00 0.00 61.79 59.97 2pfr h SER 287 Cb 0.00 -0.14 -0.27 0.00 0.14 0.00 0.00 62.40 62.13 2pfr h SER 287 CO 0.00 1.00 -0.58 -0.76 -1.14 0.00 0.00 176.83 175.35 2pfr s LEU 288 N -8.03 4.40 0.30 5.07 1.43 -1.26 -4.90 118.68 115.68 2pfr s LEU 288 Ca -0.06 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2pfr s LEU 288 Cb 0.11 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2pfr s LEU 288 CO 0.83 -0.33 0.50 0.42 0.23 0.00 0.00 176.35 178.00 2pfr s THR 289 N 1.47 5.14 -2.00 5.49 -4.23 -1.26 -4.86 115.64 115.38 2pfr s THR 289 Ca 0.00 -0.47 0.31 0.00 -1.18 0.00 0.00 61.69 60.35 2pfr s THR 289 Cb -0.19 -3.83 0.87 0.00 1.34 0.00 0.00 72.50 70.69 2pfr s THR 289 CO 0.04 -0.44 2.15 2.30 -0.54 0.00 0.00 174.62 178.13