#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr s LEU 1 N 0.00 4.07 -0.47 3.14 2.96 -0.26 -4.92 118.68 123.20 2pkr s LEU 1 Ca 0.00 0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 54.54 2pkr s LEU 1 Cb 0.00 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.55 2pkr s LEU 1 CO 0.00 -0.56 1.22 -0.54 -1.32 0.00 0.00 176.35 175.15 2pkr s LYS 2 N 2.90 3.66 -0.09 1.98 1.02 -1.26 -0.90 119.74 127.05 2pkr s LYS 2 Ca 0.34 0.63 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 2pkr s LYS 2 Cb -0.15 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 2pkr s LYS 2 CO 0.09 -1.47 -0.02 0.08 -0.92 0.00 0.00 175.35 173.11 2pkr s VAL 3 N 4.79 4.08 -0.06 3.17 1.01 0.11 -1.04 120.40 132.46 2pkr s VAL 3 Ca 0.51 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2pkr s VAL 3 Cb -0.09 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2pkr s VAL 3 CO 0.32 0.58 -0.22 0.00 0.00 0.00 0.00 175.10 175.78 2pkr s ALA 4 N -0.65 2.28 -0.27 5.51 0.00 0.02 -1.29 121.76 127.36 2pkr s ALA 4 Ca 0.10 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 2pkr s ALA 4 Cb -0.12 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 2pkr s ALA 4 CO 0.02 0.43 0.12 0.42 0.00 0.00 0.00 175.76 176.75 2pkr s ILE 5 N -0.23 4.62 -0.37 0.00 1.01 -0.47 -0.09 121.20 125.66 2pkr s ILE 5 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2pkr s ILE 5 Cb -0.13 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.14 2pkr s ILE 5 CO 0.03 0.24 0.21 0.21 0.00 0.00 0.00 174.94 175.63 2pkr s ASN 6 N 1.65 5.75 0.00 3.58 2.47 -0.39 -0.38 114.94 127.61 2pkr s ASN 6 Ca 0.06 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.38 2pkr s ASN 6 Cb -0.16 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 2pkr s ASN 6 CO 0.06 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.67 2pkr n GLY 7 N 5.01 -0.27 2.42 1.21 0.00 -0.90 -0.56 105.19 112.10 2pkr n GLY 7 Ca -0.12 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 2pkr n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pkr n PHE 8 N 0.47 1.50 -0.64 1.61 7.35 -1.24 -4.14 117.46 122.37 2pkr n PHE 8 Ca 0.00 -1.99 0.00 0.00 -0.76 0.00 0.00 57.45 54.70 2pkr n PHE 8 Cb 0.00 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 38.36 2pkr n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pkr n GLY 9 N 1.20 1.01 0.18 7.13 0.00 -1.26 -4.43 105.19 109.03 2pkr n GLY 9 Ca 0.50 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 2pkr n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pkr h ARG 10 N 0.00 0.21 -0.07 1.61 2.47 -1.92 0.26 114.38 116.94 2pkr h ARG 10 Ca 0.00 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.46 2pkr h ARG 10 Cb 0.00 -0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2pkr h ARG 10 CO 0.00 0.14 -0.93 0.82 0.56 0.00 0.00 179.97 180.56 2pkr h ILE 11 N 0.22 1.27 -0.54 2.04 1.08 -1.91 -0.99 117.51 118.69 2pkr h ILE 11 Ca 0.22 -2.12 0.01 0.00 -0.39 0.00 0.00 64.86 62.57 2pkr h ILE 11 Cb 0.28 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 2pkr h ILE 11 CO -0.29 0.66 0.35 1.23 -0.69 0.00 0.00 178.15 179.42 2pkr h GLY 12 N 0.47 0.75 1.22 5.37 0.00 -1.61 0.17 103.07 109.44 2pkr h GLY 12 Ca -0.10 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 46.74 2pkr h GLY 12 CO 0.19 0.28 -0.74 3.21 0.00 0.00 0.00 176.54 179.47 2pkr h ARG 13 N 0.73 0.78 -0.56 4.80 3.08 -0.53 -1.85 114.38 120.83 2pkr h ARG 13 Ca 0.20 -0.61 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 2pkr h ARG 13 Cb -0.08 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2pkr h ARG 13 CO -0.04 1.22 0.20 -0.91 -1.07 0.00 0.00 179.97 179.37 2pkr h ASN 14 N 0.54 0.75 0.22 7.04 2.35 -0.90 -1.41 115.58 124.16 2pkr h ASN 14 Ca -0.04 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2pkr h ASN 14 Cb 1.36 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2pkr h ASN 14 CO 0.15 0.69 -0.11 0.15 -1.65 0.00 0.00 177.43 176.67 2pkr h PHE 15 N 0.80 -0.27 -0.83 1.19 3.57 -0.58 0.26 116.94 121.08 2pkr h PHE 15 Ca 0.19 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2pkr h PHE 15 Cb 0.19 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2pkr h PHE 15 CO 0.01 -0.07 0.51 1.25 -2.23 0.00 0.00 178.31 177.78 2pkr h LEU 16 N -0.43 0.79 -0.49 0.59 6.46 -0.73 0.98 115.31 122.49 2pkr h LEU 16 Ca -0.03 0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.59 2pkr h LEU 16 Cb 0.33 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2pkr h LEU 16 CO 0.05 0.50 -0.49 0.03 -0.62 0.00 0.00 178.44 177.91 2pkr h ARG 17 N 0.92 0.68 -0.20 1.25 3.08 -1.16 0.09 114.38 119.05 2pkr h ARG 17 Ca 0.37 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2pkr h ARG 17 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2pkr h ARG 17 CO -0.18 1.02 0.08 0.00 -1.07 0.00 0.00 179.97 179.82 2pkr h TRP 18 N 0.17 0.91 -0.23 0.00 7.01 -0.76 -2.54 115.95 120.52 2pkr h TRP 18 Ca 0.07 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2pkr h TRP 18 Cb 0.16 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 2pkr h TRP 18 CO -0.02 0.57 0.15 1.25 -2.79 0.00 0.00 178.44 177.61 2pkr h HIS 18 N 0.98 0.17 -0.00 2.65 2.76 -0.63 -1.16 115.15 119.92 2pkr h HIS 18 Ca 0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2pkr h HIS 18 Cb -0.11 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2pkr h HIS 18 CO -0.02 0.10 -0.11 0.41 -1.30 0.00 0.00 177.93 177.01 2pkr n GLY 19 N -1.54 -1.25 3.82 5.26 0.00 -0.93 -4.87 105.19 105.69 2pkr n GLY 19 Ca 0.01 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2pkr n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkr s ARG 20 N -2.75 4.07 -0.10 1.61 1.81 -0.44 -5.05 118.95 118.10 2pkr s ARG 20 Ca 0.21 1.12 -0.05 0.00 -1.72 0.00 0.00 55.73 55.30 2pkr s ARG 20 Cb 0.19 -2.15 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 2pkr s ARG 20 CO 0.52 -0.17 0.10 0.15 -0.68 0.00 0.00 175.30 175.22 2pkr s LYS 21 N -3.41 3.30 -1.21 3.54 -0.14 -1.26 -4.59 119.74 115.97 2pkr s LYS 21 Ca 0.62 -0.23 -0.22 0.00 -1.36 0.00 0.00 55.97 54.78 2pkr s LYS 21 Cb -0.11 -3.07 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2pkr s LYS 21 CO 0.19 0.75 0.68 -0.25 -0.76 0.00 0.00 175.35 175.96 2pkr n ASP 22 N 1.94 -4.05 -4.75 2.83 8.00 -1.26 -4.92 116.55 114.33 2pkr n ASP 22 Ca -0.19 -1.12 -0.40 0.00 0.71 0.00 0.00 54.79 53.79 2pkr n ASP 22 Cb 0.54 -2.72 -0.06 0.00 -0.02 0.00 0.00 41.12 38.87 2pkr n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2pkr s SER 23 N -3.64 7.58 0.00 -2.24 0.15 -1.26 -4.94 113.70 109.35 2pkr s SER 23 Ca 0.40 1.99 0.26 0.00 0.70 0.00 0.00 55.95 59.30 2pkr s SER 23 Cb -0.17 -2.61 1.31 0.00 -1.71 0.00 0.00 66.02 62.83 2pkr s SER 23 CO 0.91 0.10 1.87 -0.81 1.20 0.00 0.00 173.24 176.51 2pkr n PRO 24 N 1.51 1.27 -4.35 5.44 -0.04 -1.26 -4.63 135.00 132.95 2pkr n PRO 24 Ca -0.02 -0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 62.71 2pkr n PRO 24 Cb 0.47 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 2pkr n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pkr s LEU 25 N -1.82 3.48 -0.26 1.53 1.43 -1.26 -1.11 118.68 120.67 2pkr s LEU 25 Ca 0.38 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2pkr s LEU 25 Cb 0.19 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.56 2pkr s LEU 25 CO 0.30 0.31 0.04 -0.62 0.23 0.00 0.00 176.35 176.62 2pkr s ASP 26 N -1.30 3.72 -0.49 2.29 2.15 -0.08 -4.64 116.67 118.31 2pkr s ASP 26 Ca 0.17 -1.33 -0.28 0.00 0.43 0.00 0.00 52.55 51.54 2pkr s ASP 26 Cb -0.11 -0.90 0.03 0.00 -0.30 0.00 0.00 42.92 41.63 2pkr s ASP 26 CO 0.07 -0.34 1.10 -0.69 -0.17 0.00 0.00 175.17 175.14 2pkr s VAL 27 N 1.59 4.23 -0.07 1.11 1.01 -1.26 0.07 120.40 127.09 2pkr s VAL 27 Ca 0.03 1.04 0.15 0.00 0.00 0.00 0.00 61.98 63.20 2pkr s VAL 27 Cb -0.18 -4.59 -0.23 0.00 0.00 0.00 0.00 36.38 31.38 2pkr s VAL 27 CO -0.15 -1.04 0.25 1.33 0.00 0.00 0.00 175.10 175.50 2pkr n VAL 28 N 6.72 0.36 -3.88 2.92 0.24 -0.41 -4.84 118.33 119.43 2pkr n VAL 28 Ca 0.10 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 2pkr n VAL 28 Cb 0.49 -0.12 -0.09 0.00 -1.47 0.00 0.00 33.84 32.65 2pkr n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkr s VAL 29 N -2.86 0.12 -0.03 3.34 0.11 -1.23 -0.32 120.40 119.52 2pkr s VAL 29 Ca -0.06 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2pkr s VAL 29 Cb 0.08 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2pkr s VAL 29 CO 0.65 -0.52 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.24 2pkr s ILE 30 N -2.49 0.38 -0.45 7.04 1.01 0.94 -1.37 121.20 126.27 2pkr s ILE 30 Ca -0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 2pkr s ILE 30 Cb -0.02 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 42.08 2pkr s ILE 30 CO -0.04 0.18 0.38 0.21 0.00 0.00 0.00 174.94 175.68 2pkr s ASN 31 N 0.85 6.14 -0.23 3.58 2.47 0.48 -0.89 114.94 127.35 2pkr s ASN 31 Ca -0.10 -1.11 0.00 0.00 0.42 0.00 0.00 52.86 52.08 2pkr s ASN 31 Cb -0.13 -2.19 0.06 0.00 -1.45 0.00 0.00 41.25 37.54 2pkr s ASN 31 CO -0.01 -0.59 -0.05 -0.62 -3.72 0.00 0.00 177.10 172.11 2pkr s ASP 32 N 2.23 3.75 0.30 -4.21 -1.08 -0.32 -2.11 116.67 115.23 2pkr s ASP 32 Ca 0.06 -1.13 0.24 0.00 -0.52 0.00 0.00 52.55 51.19 2pkr s ASP 32 Cb -0.22 -1.13 1.09 0.00 -1.46 0.00 0.00 42.92 41.19 2pkr s ASP 32 CO 0.09 -0.24 1.72 0.35 0.52 0.00 0.00 175.17 177.61 2pkr n THR 33 N 4.70 0.88 0.50 1.71 -2.24 -1.26 -2.05 114.28 116.52 2pkr n THR 33 Ca -0.12 0.41 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 2pkr n THR 33 Cb 0.44 -1.38 0.35 0.00 -2.10 0.00 0.00 70.33 67.65 2pkr n THR 33 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pkr h GLY 34 N 1.44 0.00 0.00 3.38 0.00 -1.93 -3.48 103.07 102.48 2pkr h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pkr h GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pkr n GLY 36 N 1.15 1.14 0.07 4.60 0.00 -0.87 -4.51 105.19 106.77 2pkr n GLY 36 Ca 0.05 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 2pkr n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkr h VAL 37 N 0.00 1.10 -0.38 1.61 2.07 -1.87 -2.09 116.25 116.69 2pkr h VAL 37 Ca 0.00 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2pkr h VAL 37 Cb 0.00 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2pkr h VAL 37 CO 0.00 0.12 0.19 0.50 0.02 0.00 0.00 177.57 178.40 2pkr h LYS 38 N -0.26 0.37 -0.64 1.57 1.63 -1.95 -0.82 116.57 116.48 2pkr h LYS 38 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2pkr h LYS 38 Cb 0.24 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2pkr h LYS 38 CO 0.01 0.25 0.40 0.37 -3.45 0.00 0.00 179.45 177.03 2pkr h GLN 39 N 0.39 0.85 -0.39 1.90 4.15 -1.79 -0.16 115.11 120.07 2pkr h GLN 39 Ca 0.16 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2pkr h GLN 39 Cb 0.06 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2pkr h GLN 39 CO -0.11 0.59 0.13 0.00 -1.93 0.00 0.00 178.83 177.51 2pkr h ALA 40 N 1.21 0.51 0.07 3.38 0.00 -0.87 -0.95 119.26 122.61 2pkr h ALA 40 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pkr h ALA 40 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pkr h ALA 40 CO -0.05 0.13 -0.03 1.03 0.00 0.00 0.00 179.25 180.33 2pkr h SER 41 N 0.48 -0.08 0.28 0.00 0.87 -0.87 -2.41 113.55 111.81 2pkr h SER 41 Ca 0.13 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pkr h SER 41 Cb 0.23 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2pkr h SER 41 CO -0.01 0.08 -0.29 -0.74 -0.53 0.00 0.00 176.83 175.35 2pkr h HIS 42 N -0.25 -0.78 0.00 2.24 6.17 -0.95 -1.55 115.15 120.04 2pkr h HIS 42 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2pkr h HIS 42 Cb 0.21 0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.44 2pkr h HIS 42 CO -0.02 -0.42 0.00 -0.07 0.71 0.00 0.00 177.93 178.13 2pkr h LEU 43 N -0.61 0.00 0.17 0.26 3.38 -1.23 0.16 115.31 117.44 2pkr h LEU 43 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 2pkr h LEU 43 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2pkr h LEU 43 CO -0.07 0.00 -1.44 0.25 0.09 0.00 0.00 178.44 177.27 2pkr h LEU 44 N 0.00 0.56 0.04 1.67 5.85 -1.07 -3.36 115.31 119.00 2pkr h LEU 44 Ca 0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 2pkr h LEU 44 Cb 0.39 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2pkr h LEU 44 CO 0.00 1.53 -0.02 0.50 -0.34 0.00 0.00 178.44 180.11 2pkr h LYS 45 N 0.10 -0.06 -5.10 1.25 1.63 -0.65 -3.41 116.57 110.33 2pkr h LYS 45 Ca -0.22 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.95 2pkr h LYS 45 Cb 2.06 0.01 -0.19 0.00 -0.60 0.00 0.00 32.23 33.51 2pkr h LYS 45 CO 0.21 0.55 -0.58 0.71 -3.45 0.00 0.00 179.45 176.89 2pkr s TYR 46 N -3.40 3.18 -0.07 1.91 2.02 0.49 -0.51 117.35 120.96 2pkr s TYR 46 Ca -0.16 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2pkr s TYR 46 Cb -0.00 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2pkr s TYR 46 CO 0.61 -0.09 -0.01 0.34 -1.57 0.00 0.00 175.55 174.83 2pkr s ASP 47 N 1.03 1.52 0.34 2.29 -1.08 -1.22 -4.48 116.67 115.07 2pkr s ASP 47 Ca 0.05 -0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.22 2pkr s ASP 47 Cb -0.14 -0.48 1.22 0.00 -1.46 0.00 0.00 42.92 42.06 2pkr s ASP 47 CO 0.03 -0.16 1.76 0.28 0.52 0.00 0.00 175.17 177.60 2pkr h SER 48 N 8.11 0.00 0.00 -0.34 0.02 -1.94 0.19 113.55 119.58 2pkr h SER 48 Ca -0.24 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.52 2pkr h SER 48 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2pkr h SER 48 CO 0.31 0.00 -1.69 -0.38 -1.14 0.00 0.00 176.83 173.93 2pkr n ILE 49 N -2.38 0.69 0.41 3.27 5.41 -1.26 -4.70 119.36 120.81 2pkr n ILE 49 Ca -0.00 -0.26 0.11 0.00 1.00 0.00 0.00 62.75 63.61 2pkr n ILE 49 Cb 0.13 -1.00 0.05 0.00 -0.71 0.00 0.00 39.64 38.11 2pkr n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pkr n LEU 50 N -2.92 0.66 0.00 1.39 4.77 -1.21 -5.06 117.00 114.63 2pkr n LEU 50 Ca -0.22 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2pkr n LEU 50 Cb 0.72 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2pkr n LEU 50 CO 0.11 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2pkr n GLY 51 N 1.30 -0.74 3.71 -0.72 0.00 0.67 -4.86 105.19 104.55 2pkr n GLY 51 Ca 0.01 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2pkr n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pkr s THR 52 N -1.48 2.85 0.09 2.61 2.01 -1.26 -3.46 115.64 116.99 2pkr s THR 52 Ca 0.00 0.59 -0.31 0.00 0.31 0.00 0.00 61.69 62.28 2pkr s THR 52 Cb 0.00 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 2pkr s THR 52 CO 0.00 0.04 1.73 0.12 -0.69 0.00 0.00 174.62 175.82 2pkr s PHE 53 N 1.25 2.28 -1.35 4.92 5.36 0.33 -4.91 117.98 125.87 2pkr s PHE 53 Ca 0.69 0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 56.68 2pkr s PHE 53 Cb -0.41 -4.05 0.09 0.00 -0.34 0.00 0.00 43.02 38.30 2pkr s PHE 53 CO 0.31 -4.29 1.92 -3.47 -1.46 0.00 0.00 175.22 168.24 2pkr n ASP 54 N 5.71 4.58 -3.53 6.13 2.03 -1.26 -4.83 116.55 125.38 2pkr n ASP 54 Ca 0.17 -2.93 -0.11 0.00 0.52 0.00 0.00 54.79 52.43 2pkr n ASP 54 Cb 0.40 -1.64 -0.04 0.00 -0.72 0.00 0.00 41.12 39.12 2pkr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pkr s ALA 55 N 2.73 -1.84 -0.56 -1.67 0.00 -1.26 -5.10 121.76 114.06 2pkr s ALA 55 Ca 0.47 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 2pkr s ALA 55 Cb 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2pkr s ALA 55 CO -0.01 -0.48 1.14 -0.51 0.00 0.00 0.00 175.76 175.90 2pkr s ASP 56 N -1.69 6.45 -0.12 0.00 1.01 -1.26 -4.87 116.67 116.18 2pkr s ASP 56 Ca -0.01 0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 2pkr s ASP 56 Cb -0.01 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2pkr s ASP 56 CO -0.01 -1.41 -0.11 -0.69 0.21 0.00 0.00 175.17 173.16 2pkr s VAL 57 N 4.71 3.28 0.20 -1.27 1.01 -1.26 -0.01 120.40 127.06 2pkr s VAL 57 Ca 0.41 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2pkr s VAL 57 Cb -0.08 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2pkr s VAL 57 CO 0.25 0.53 0.56 -1.59 0.00 0.00 0.00 175.10 174.85 2pkr s LYS 58 N 0.11 1.41 0.51 2.72 -2.85 -0.95 -5.00 119.74 115.68 2pkr s LYS 58 Ca -0.05 -0.80 -0.17 0.00 -1.00 0.00 0.00 55.97 53.95 2pkr s LYS 58 Cb -0.14 0.54 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 2pkr s LYS 58 CO 0.04 -0.61 0.98 0.95 0.10 0.00 0.00 175.35 176.82 2pkr s THR 59 N -3.85 4.50 -0.40 3.79 -4.23 -1.26 -1.22 115.64 112.96 2pkr s THR 59 Ca 0.08 1.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.84 2pkr s THR 59 Cb -0.02 -3.70 0.13 0.00 1.34 0.00 0.00 72.50 70.26 2pkr s THR 59 CO -0.04 -0.64 0.21 0.00 -0.54 0.00 0.00 174.62 173.61 2pkr s ALA 60 N -2.57 1.78 0.00 3.99 0.00 0.15 -4.75 121.76 120.36 2pkr s ALA 60 Ca 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2pkr s ALA 60 Cb -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2pkr s ALA 60 CO 0.29 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2pkr n GLY 60 N 3.84 -0.42 1.18 0.00 0.00 -1.26 -2.57 105.19 105.97 2pkr n GLY 60 Ca 0.08 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 45.05 2pkr n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 61 N 0.60 3.42 0.00 1.61 9.92 -1.26 -4.58 116.55 126.26 2pkr n ASP 61 Ca 0.00 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 2pkr n ASP 61 Cb 0.00 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 2pkr n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2pkr n SER 62 N 0.57 0.00 -4.08 -2.24 2.88 -1.25 -4.81 113.62 104.69 2pkr n SER 62 Ca 0.17 -0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 2pkr n SER 62 Cb 0.68 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.04 2pkr n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pkr s ALA 63 N 0.00 0.57 0.37 -1.46 0.00 -1.06 0.94 121.76 121.12 2pkr s ALA 63 Ca 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.76 2pkr s ALA 63 Cb 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 2pkr s ALA 63 CO 0.00 -0.49 0.02 0.96 0.00 0.00 0.00 175.76 176.25 2pkr s ILE 64 N -4.00 1.73 0.02 0.00 -4.36 -0.54 0.31 121.20 114.36 2pkr s ILE 64 Ca 0.18 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 2pkr s ILE 64 Cb 0.07 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 2pkr s ILE 64 CO -0.02 -0.02 -0.06 -0.94 0.24 0.00 0.00 174.94 174.14 2pkr s SER 65 N -3.62 0.68 -0.25 4.36 1.04 -0.36 -0.15 113.70 115.40 2pkr s SER 65 Ca 0.35 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2pkr s SER 65 Cb 0.09 -0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.26 2pkr s SER 65 CO 0.17 -0.06 -0.00 -0.69 0.98 0.00 0.00 173.24 173.63 2pkr s VAL 66 N -0.68 1.31 -1.53 5.02 1.01 -0.76 -2.23 120.40 122.52 2pkr s VAL 66 Ca -0.04 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 2pkr s VAL 66 Cb -0.06 -1.71 0.09 0.00 0.00 0.00 0.00 36.38 34.70 2pkr s VAL 66 CO 0.00 -0.26 0.97 0.47 0.00 0.00 0.00 175.10 176.28 2pkr n ASP 67 N 4.73 -4.63 0.00 3.32 8.00 0.99 -2.03 116.55 126.93 2pkr n ASP 67 Ca -0.08 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2pkr n ASP 67 Cb 0.44 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 2pkr n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pkr n GLY 68 N -1.68 3.25 3.60 0.44 0.00 -1.26 -5.01 105.19 104.53 2pkr n GLY 68 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2pkr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pkr s LYS 69 N -0.56 3.81 0.12 1.61 2.20 -0.86 -5.01 119.74 121.05 2pkr s LYS 69 Ca 0.00 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 2pkr s LYS 69 Cb 0.00 -3.84 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 2pkr s LYS 69 CO 0.00 -1.13 1.05 0.08 -0.36 0.00 0.00 175.35 174.99 2pkr s VAL 70 N 3.89 4.23 -0.13 4.02 1.01 -1.26 -1.83 120.40 130.32 2pkr s VAL 70 Ca 0.43 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.23 2pkr s VAL 70 Cb -0.10 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2pkr s VAL 70 CO 0.23 0.26 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 2pkr s ILE 71 N 0.17 1.81 0.47 2.22 1.01 0.79 -4.93 121.20 122.73 2pkr s ILE 71 Ca 0.50 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 2pkr s ILE 71 Cb -0.26 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 2pkr s ILE 71 CO 0.31 0.50 1.25 -0.75 0.00 0.00 0.00 174.94 176.25 2pkr s LYS 72 N 0.97 3.64 -0.11 2.79 2.47 0.56 -1.47 119.74 128.59 2pkr s LYS 72 Ca -0.05 1.98 -0.00 0.00 -1.56 0.00 0.00 55.97 56.34 2pkr s LYS 72 Cb -0.15 -2.44 0.02 0.00 -1.46 0.00 0.00 37.83 33.80 2pkr s LYS 72 CO -0.03 -0.71 -0.08 0.08 0.16 0.00 0.00 175.35 174.76 2pkr s VAL 73 N -1.42 1.06 0.42 4.02 1.01 0.27 -0.04 120.40 125.72 2pkr s VAL 73 Ca 0.64 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2pkr s VAL 73 Cb -0.34 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 2pkr s VAL 73 CO 0.41 0.37 0.10 0.68 0.00 0.00 0.00 175.10 176.66 2pkr s VAL 74 N 1.66 2.09 -0.23 2.92 -7.23 -0.07 -4.61 120.40 114.92 2pkr s VAL 74 Ca 0.04 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2pkr s VAL 74 Cb -0.13 -2.93 0.11 0.00 0.56 0.00 0.00 36.38 33.99 2pkr s VAL 74 CO -0.08 0.00 0.24 -0.55 -0.31 0.00 0.00 175.10 174.40 2pkr s SER 75 N -3.83 1.56 -0.29 4.85 0.15 -1.26 -1.18 113.70 113.71 2pkr s SER 75 Ca 0.36 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.48 2pkr s SER 75 Cb 0.06 0.39 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 2pkr s SER 75 CO 0.19 -0.35 0.66 -0.62 1.20 0.00 0.00 173.24 174.33 2pkr s ASP 76 N 2.33 -1.04 0.39 5.45 -1.08 -1.26 -4.96 116.67 116.50 2pkr s ASP 76 Ca 0.08 1.54 0.28 0.00 -0.52 0.00 0.00 52.55 53.92 2pkr s ASP 76 Cb -0.15 1.88 1.02 0.00 -1.46 0.00 0.00 42.92 44.21 2pkr s ASP 76 CO -0.19 -0.23 1.81 0.03 0.52 0.00 0.00 175.17 177.11 2pkr h ARG 77 N 7.56 0.00 -4.43 4.34 3.08 -1.99 -3.41 114.38 119.53 2pkr h ARG 77 Ca -0.23 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.09 2pkr h ARG 77 Cb 1.16 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.97 2pkr h ARG 77 CO 0.13 0.00 -0.41 1.21 -1.07 0.00 0.00 179.97 179.82 2pkr s ASN 78 N -5.11 5.97 0.42 7.04 3.84 -1.26 -4.97 114.94 120.88 2pkr s ASN 78 Ca 0.04 -1.18 0.14 0.00 0.21 0.00 0.00 52.86 52.06 2pkr s ASN 78 Cb 0.09 -2.11 1.00 0.00 -0.55 0.00 0.00 41.25 39.67 2pkr s ASN 78 CO 0.52 -0.53 1.94 -0.65 -2.79 0.00 0.00 177.10 175.59 2pkr h PRO 79 N 8.60 0.45 -0.10 0.43 0.11 -1.90 -2.19 132.00 137.39 2pkr h PRO 79 Ca -0.27 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.85 2pkr h PRO 79 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2pkr h PRO 79 CO 0.78 0.30 0.11 -0.39 -0.21 0.00 0.00 178.00 178.59 2pkr h VAL 80 N 0.47 0.55 -0.08 3.15 -1.51 -1.94 -0.53 116.25 116.37 2pkr h VAL 80 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 2pkr h VAL 80 Cb 0.66 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2pkr h VAL 80 CO -0.11 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.82 2pkr n ASN 81 N -3.91 1.85 -4.78 4.19 5.03 -0.82 -4.34 115.26 112.47 2pkr n ASN 81 Ca -0.00 -1.65 -0.37 0.00 0.87 0.00 0.00 54.58 53.43 2pkr n ASN 81 Cb 0.22 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.90 2pkr n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pkr s LEU 82 N -1.86 4.16 -0.07 3.41 1.43 -0.21 -4.94 118.68 120.59 2pkr s LEU 82 Ca 0.35 2.08 -0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2pkr s LEU 82 Cb 0.20 -4.15 0.05 0.00 0.03 0.00 0.00 46.19 42.32 2pkr s LEU 82 CO 0.31 -0.51 1.85 -0.81 0.23 0.00 0.00 176.35 177.42 2pkr n PRO 83 N -0.02 1.17 0.03 1.29 -0.04 -1.26 -4.55 135.00 131.61 2pkr n PRO 83 Ca 0.05 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.04 2pkr n PRO 83 Cb 0.49 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.74 2pkr n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2pkr h TRP 84 N 0.94 -0.02 0.09 0.54 -0.00 -1.91 -0.40 115.95 115.20 2pkr h TRP 84 Ca 0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 2pkr h TRP 84 Cb 1.02 0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 30.18 2pkr h TRP 84 CO 0.33 0.10 -0.06 0.78 -0.00 0.00 0.00 178.44 179.59 2pkr h GLY 85 N -0.14 -0.14 0.48 1.49 0.00 -0.81 -0.07 103.07 103.87 2pkr h GLY 85 Ca -0.00 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.49 2pkr h GLY 85 CO 0.00 -0.06 0.49 -0.55 0.00 0.00 0.00 176.54 176.42 2pkr h ASP 86 N -0.14 0.69 0.59 0.19 3.32 -1.79 -1.13 116.42 118.14 2pkr h ASP 86 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2pkr h ASP 86 Cb 0.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2pkr h ASP 86 CO 0.01 0.38 -0.07 0.23 -1.72 0.00 0.00 179.24 178.07 2pkr n MET 87 N -4.74 0.39 -1.80 3.56 2.81 -0.16 -4.93 117.12 112.25 2pkr n MET 87 Ca 0.15 -0.07 -0.08 0.00 -1.81 0.00 0.00 57.70 55.89 2pkr n MET 87 Cb 0.31 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 2pkr n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pkr n GLY 88 N 1.34 0.40 3.68 3.03 0.00 -0.16 -4.96 105.19 108.51 2pkr n GLY 88 Ca 0.12 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2pkr n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkr s ILE 89 N -2.35 2.72 -0.12 -0.61 -1.09 -0.48 -4.83 121.20 114.44 2pkr s ILE 89 Ca 0.00 0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.21 2pkr s ILE 89 Cb 0.00 -3.01 -0.26 0.00 -1.58 0.00 0.00 42.46 37.61 2pkr s ILE 89 CO 0.00 -0.00 0.62 0.44 -1.23 0.00 0.00 174.94 174.77 2pkr h ASP 90 N 9.51 0.21 -3.47 3.58 3.32 -1.44 -2.54 116.42 125.60 2pkr h ASP 90 Ca -0.48 -0.85 -0.39 0.00 0.02 0.00 0.00 57.03 55.33 2pkr h ASP 90 Cb 1.23 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 40.37 2pkr h ASP 90 CO 0.95 1.37 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.85 2pkr s LEU 91 N -7.88 1.30 -0.20 1.55 2.96 -0.87 -0.79 118.68 114.75 2pkr s LEU 91 Ca -0.20 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2pkr s LEU 91 Cb 0.02 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 2pkr s LEU 91 CO 0.72 -0.06 0.09 -0.69 -1.32 0.00 0.00 176.35 175.09 2pkr s VAL 92 N 0.92 4.97 -0.60 1.68 1.01 -0.23 -0.80 120.40 127.34 2pkr s VAL 92 Ca -0.11 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2pkr s VAL 92 Cb -0.14 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.06 2pkr s VAL 92 CO -0.00 0.42 0.78 -0.63 0.00 0.00 0.00 175.10 175.68 2pkr s ILE 93 N 0.60 4.66 -0.73 2.22 -1.09 0.87 -0.44 121.20 127.29 2pkr s ILE 93 Ca 0.05 -0.73 -0.27 0.00 -2.23 0.00 0.00 60.65 57.48 2pkr s ILE 93 Cb -0.13 -4.54 0.02 0.00 -1.58 0.00 0.00 42.46 36.24 2pkr s ILE 93 CO 0.01 -1.20 1.41 -0.70 -1.23 0.00 0.00 174.94 173.22 2pkr s GLU 94 N 3.14 3.09 -0.18 2.79 -6.30 0.09 -1.26 118.70 120.07 2pkr s GLU 94 Ca 0.16 -0.10 0.13 0.00 -2.50 0.00 0.00 54.97 52.65 2pkr s GLU 94 Cb -0.21 -4.27 0.39 0.00 0.00 0.00 0.00 34.13 30.04 2pkr s GLU 94 CO 0.08 -2.28 1.20 0.41 0.02 0.00 0.00 175.26 174.69 2pkr n GLY 95 N 5.51 4.82 0.09 -1.50 0.00 0.28 -1.28 105.19 113.10 2pkr n GLY 95 Ca 0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 2pkr n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pkr h THR 96 N 1.21 0.93 0.00 2.61 1.35 -1.78 -3.43 112.91 113.80 2pkr h THR 96 Ca -0.01 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2pkr h THR 96 Cb 1.05 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 2pkr h THR 96 CO 0.01 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2pkr n GLY 97 N 1.44 0.84 0.00 5.82 0.00 -1.26 -4.88 105.19 107.15 2pkr n GLY 97 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2pkr n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkr n VAL 98 N -2.21 0.00 -3.27 1.61 0.24 -1.26 -4.72 118.33 108.71 2pkr n VAL 98 Ca 0.00 -0.26 -0.29 0.00 -2.04 0.00 0.00 64.34 61.75 2pkr n VAL 98 Cb 0.00 0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 33.03 2pkr n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pkr n PHE 99 N -1.43 3.58 0.82 6.34 3.72 -1.26 -4.85 117.46 124.37 2pkr n PHE 99 Ca 0.00 -3.93 0.11 0.00 -0.05 0.00 0.00 57.45 53.58 2pkr n PHE 99 Cb 0.16 -0.63 0.10 0.00 -0.94 0.00 0.00 39.48 38.17 2pkr n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2pkr n VAL 100 N 0.66 0.07 -3.82 -4.37 0.24 -1.26 -3.65 118.33 106.19 2pkr n VAL 100 Ca 0.30 -0.53 -0.23 0.00 -2.04 0.00 0.00 64.34 61.84 2pkr n VAL 100 Cb 0.39 1.39 -0.05 0.00 -1.47 0.00 0.00 33.84 34.11 2pkr n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkr s ASP 101 N -1.75 4.76 0.20 -1.34 -4.77 -1.26 -0.31 116.67 112.20 2pkr s ASP 101 Ca 0.26 -0.92 -0.11 0.00 -3.30 0.00 0.00 52.55 48.49 2pkr s ASP 101 Cb 0.18 -0.46 0.17 0.00 -1.09 0.00 0.00 42.92 41.73 2pkr s ASP 101 CO 0.27 -0.64 1.85 0.03 0.70 0.00 0.00 175.17 177.38 2pkr h ARG 102 N 1.17 0.81 -0.33 2.11 3.08 -1.94 0.12 114.38 119.41 2pkr h ARG 102 Ca -0.42 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 2pkr h ARG 102 Cb 1.26 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2pkr h ARG 102 CO 0.63 0.54 -0.14 -0.44 -1.07 0.00 0.00 179.97 179.48 2pkr h ASP 103 N 0.84 0.57 0.02 7.04 3.32 -1.96 0.37 116.42 126.61 2pkr h ASP 103 Ca 0.27 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2pkr h ASP 103 Cb 0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2pkr h ASP 103 CO -0.10 0.73 -0.01 1.23 -1.72 0.00 0.00 179.24 179.37 2pkr h GLY 104 N 0.96 -0.03 2.00 2.75 0.00 -1.82 -3.26 103.07 103.67 2pkr h GLY 104 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 2pkr h GLY 104 CO 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 176.54 176.16 2pkr h ALA 105 N -0.05 1.28 0.00 3.60 0.00 -0.77 -2.55 119.26 120.76 2pkr h ALA 105 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pkr h ALA 105 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pkr h ALA 105 CO 0.00 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.54 2pkr h GLY 106 N 1.31 0.00 1.98 0.00 0.00 -0.35 -2.40 103.07 103.60 2pkr h GLY 106 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2pkr h GLY 106 CO 0.05 0.00 -0.00 0.50 0.00 0.00 0.00 176.54 177.09 2pkr h LYS 107 N 0.00 0.03 -0.05 4.80 1.57 -1.49 0.10 116.57 121.53 2pkr h LYS 107 Ca 0.00 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2pkr h LYS 107 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2pkr h LYS 107 CO 0.00 0.03 -0.41 0.45 -0.57 0.00 0.00 179.45 178.95 2pkr h HIS 108 N 0.03 0.11 -0.29 -1.35 3.86 -1.63 -1.27 115.15 114.60 2pkr h HIS 108 Ca 0.01 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.00 2pkr h HIS 108 Cb 0.03 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2pkr h HIS 108 CO 0.00 0.50 -0.55 -0.07 0.86 0.00 0.00 177.93 178.67 2pkr h LEU 109 N 0.08 0.98 -0.61 2.43 3.38 -0.98 -0.39 115.31 120.20 2pkr h LEU 109 Ca 0.01 -0.52 0.10 0.00 0.09 0.00 0.00 57.88 57.55 2pkr h LEU 109 Cb 0.76 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2pkr h LEU 109 CO 0.06 1.32 0.22 -0.61 0.09 0.00 0.00 178.44 179.52 2pkr h GLN 110 N 0.67 0.38 0.00 1.13 4.15 -0.78 0.87 115.11 121.54 2pkr h GLN 110 Ca 0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2pkr h GLN 110 Cb 1.15 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2pkr h GLN 110 CO 0.12 0.25 0.00 0.00 -1.93 0.00 0.00 178.83 177.27 2pkr n ALA 111 N -2.48 1.91 0.00 3.38 0.00 -0.53 -4.87 120.51 117.93 2pkr n ALA 111 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pkr n ALA 111 Cb 0.28 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2pkr n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkr n GLY 112 N 0.18 0.88 3.77 0.00 0.00 0.30 -0.41 105.19 109.91 2pkr n GLY 112 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2pkr n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr s ALA 113 N -2.00 3.13 0.07 4.61 0.00 -0.18 -3.72 121.76 123.67 2pkr s ALA 113 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.98 2pkr s ALA 113 Cb 0.00 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 2pkr s ALA 113 CO 0.00 -0.53 1.10 0.87 0.00 0.00 0.00 175.76 177.20 2pkr h LYS 114 N 2.55 0.04 -3.29 0.00 1.57 -1.37 -3.38 116.57 112.69 2pkr h LYS 114 Ca -0.49 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.12 2pkr h LYS 114 Cb 1.24 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.39 2pkr h LYS 114 CO 0.62 0.91 -0.29 0.21 -0.57 0.00 0.00 179.45 180.33 2pkr s LYS 115 N -2.67 0.73 -0.05 3.15 2.20 0.03 -4.87 119.74 118.26 2pkr s LYS 115 Ca -0.01 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2pkr s LYS 115 Cb 0.09 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 2pkr s LYS 115 CO 0.83 -0.22 -0.15 0.08 -0.36 0.00 0.00 175.35 175.53 2pkr s VAL 116 N -2.17 1.27 -0.26 4.02 1.01 0.25 -1.07 120.40 123.44 2pkr s VAL 116 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2pkr s VAL 116 Cb -0.02 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.29 2pkr s VAL 116 CO -0.01 0.38 -0.09 -0.22 0.00 0.00 0.00 175.10 175.15 2pkr s LEU 117 N 0.32 3.42 -0.11 3.92 0.20 0.42 -0.92 118.68 125.93 2pkr s LEU 117 Ca -0.09 -1.27 -0.27 0.00 0.69 0.00 0.00 54.13 53.19 2pkr s LEU 117 Cb -0.13 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 2pkr s LEU 117 CO 0.03 -0.18 0.90 -0.63 -0.29 0.00 0.00 176.35 176.17 2pkr s ILE 118 N 1.17 4.86 -0.81 6.68 1.01 0.11 -0.73 121.20 133.48 2pkr s ILE 118 Ca -0.06 1.81 -0.07 0.00 0.00 0.00 0.00 60.65 62.33 2pkr s ILE 118 Cb -0.19 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 2pkr s ILE 118 CO -0.05 0.06 3.02 0.35 0.00 0.00 0.00 174.94 178.32 2pkr n THR 119 N 4.45 3.89 0.00 2.92 -2.24 -0.41 -1.57 114.28 121.32 2pkr n THR 119 Ca 0.06 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.16 2pkr n THR 119 Cb 0.49 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 2pkr n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkr n ALA 120 N 2.30 0.00 -1.80 6.98 0.00 -1.22 -4.95 120.51 121.82 2pkr n ALA 120 Ca 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 2pkr n ALA 120 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2pkr n ALA 120 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pkr s PRO 121 N -2.00 4.37 0.19 0.00 0.02 -1.25 -3.48 135.00 132.84 2pkr s PRO 121 Ca 0.00 2.19 -0.10 0.00 0.02 0.00 0.00 61.00 63.10 2pkr s PRO 121 Cb 0.00 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 2pkr s PRO 121 CO 0.00 -0.19 0.52 0.20 -0.33 0.00 0.00 177.00 177.19 2pkr s GLY 122 N -0.35 2.32 -0.07 0.52 0.00 -1.26 -4.92 107.32 103.56 2pkr s GLY 122 Ca 0.50 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.80 2pkr s GLY 122 CO 0.50 -0.10 0.38 0.54 0.00 0.00 0.00 173.10 174.42 2pkr s LYS 122 N -2.51 4.06 1.74 2.90 -0.14 0.58 -4.83 119.74 121.54 2pkr s LYS 122 Ca 0.43 0.31 0.00 0.00 -1.36 0.00 0.00 55.97 55.35 2pkr s LYS 122 Cb -0.12 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 2pkr s LYS 122 CO 0.21 0.47 0.00 0.41 -0.76 0.00 0.00 175.35 175.68 2pkr n GLY 123 N 2.52 -0.68 3.28 -3.33 0.00 -1.26 -4.12 105.19 101.60 2pkr n GLY 123 Ca -0.12 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 2pkr n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 124 N 0.45 4.83 -3.92 1.61 2.03 -1.26 -4.91 116.55 115.39 2pkr n ASP 124 Ca 0.00 -2.95 -0.29 0.00 0.52 0.00 0.00 54.79 52.08 2pkr n ASP 124 Cb 0.00 -1.65 -0.16 0.00 -0.72 0.00 0.00 41.12 38.59 2pkr n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pkr s ILE 125 N 2.78 1.23 -0.09 5.18 1.01 -1.26 -4.98 121.20 125.07 2pkr s ILE 125 Ca 0.48 -0.66 -0.38 0.00 0.00 0.00 0.00 60.65 60.09 2pkr s ILE 125 Cb 0.05 -1.35 -0.16 0.00 0.01 0.00 0.00 42.46 41.01 2pkr s ILE 125 CO 0.02 0.19 1.54 -2.65 0.00 0.00 0.00 174.94 174.03 2pkr n PRO 126 N 4.84 1.16 -4.65 2.79 -0.02 -1.26 -4.71 135.00 133.16 2pkr n PRO 126 Ca -0.13 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 2pkr n PRO 126 Cb 0.48 -2.09 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2pkr n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pkr s THR 127 N 1.98 3.48 0.03 3.45 2.01 -1.26 -0.76 115.64 124.57 2pkr s THR 127 Ca 0.91 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2pkr s THR 127 Cb -1.01 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2pkr s THR 127 CO 0.56 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.61 2pkr s TYR 128 N -0.17 1.07 -0.17 4.92 2.02 0.12 -4.77 117.35 120.37 2pkr s TYR 128 Ca 0.01 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2pkr s TYR 128 Cb -0.13 -0.64 0.05 0.00 -0.40 0.00 0.00 41.96 40.84 2pkr s TYR 128 CO 0.03 0.01 -0.03 0.08 -1.57 0.00 0.00 175.55 174.06 2pkr s VAL 129 N -0.81 1.03 0.15 0.71 1.01 -1.26 -4.13 120.40 117.11 2pkr s VAL 129 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 2pkr s VAL 129 Cb -0.07 -1.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.93 2pkr s VAL 129 CO 0.01 0.05 1.77 -0.69 0.00 0.00 0.00 175.10 176.24 2pkr s VAL 130 N 1.66 2.37 0.00 2.92 1.01 -1.26 -0.91 120.40 126.19 2pkr s VAL 130 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2pkr s VAL 130 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2pkr s VAL 130 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pkr n GLY 131 N 4.11 0.81 0.87 4.51 0.00 -1.26 -4.90 105.19 109.33 2pkr n GLY 131 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 2pkr n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkr n VAL 132 N -1.65 0.08 -1.98 1.61 0.31 -0.08 -4.93 118.33 111.69 2pkr n VAL 132 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2pkr n VAL 132 Cb 0.00 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2pkr n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pkr n ASN 133 N -3.02 0.00 0.28 4.52 2.04 -0.96 -4.93 115.26 113.19 2pkr n ASN 133 Ca -0.03 -1.53 0.13 0.00 -0.44 0.00 0.00 54.58 52.71 2pkr n ASN 133 Cb 0.52 -0.11 0.81 0.00 -2.53 0.00 0.00 39.78 38.48 2pkr n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2pkr h GLU 134 N 0.00 0.00 0.00 -3.83 9.09 -1.94 -1.85 114.58 116.05 2pkr h GLU 134 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pkr h GLU 134 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2pkr h GLU 134 CO 0.00 0.02 0.02 0.39 0.05 0.00 0.00 179.01 179.49 2pkr n GLU 135 N -4.03 0.10 0.00 1.06 1.02 -1.26 -1.10 120.64 116.42 2pkr n GLU 135 Ca -0.03 0.59 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 2pkr n GLU 135 Cb 0.10 -1.84 0.46 0.00 -0.02 0.00 0.00 31.44 30.14 2pkr n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pkr n GLY 136 N -1.35 -0.97 3.77 0.62 0.00 -0.70 -4.90 105.19 101.67 2pkr n GLY 136 Ca -0.01 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 2pkr n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pkr s TYR 137 N -2.65 3.13 0.04 1.61 5.04 -0.26 -5.04 117.35 119.21 2pkr s TYR 137 Ca 0.22 1.48 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 2pkr s TYR 137 Cb 0.19 -3.58 -0.02 0.00 0.35 0.00 0.00 41.96 38.90 2pkr s TYR 137 CO 0.55 -1.58 -0.09 0.95 -1.34 0.00 0.00 175.55 174.04 2pkr s THR 138 N -1.18 0.63 0.62 4.34 -4.23 -1.26 -5.03 115.64 109.51 2pkr s THR 138 Ca 0.50 -1.05 0.41 0.00 -1.18 0.00 0.00 61.69 60.37 2pkr s THR 138 Cb -0.37 -0.67 0.41 0.00 1.34 0.00 0.00 72.50 73.21 2pkr s THR 138 CO 0.49 -0.32 2.26 -0.74 -0.54 0.00 0.00 174.62 175.77 2pkr h HIS 139 N 4.58 0.00 0.00 3.99 2.76 -1.97 -1.89 115.15 122.62 2pkr h HIS 139 Ca -0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2pkr h HIS 139 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2pkr h HIS 139 CO 0.63 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.26 2pkr h ALA 140 N 1.89 1.00 -1.86 5.26 0.00 -1.95 -3.41 119.26 120.18 2pkr h ALA 140 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2pkr h ALA 140 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2pkr h ALA 140 CO 0.00 0.00 1.23 -0.51 0.00 0.00 0.00 179.25 179.97 2pkr s ASP 141 N -5.49 5.99 0.25 0.00 1.01 -0.71 -4.85 116.67 112.86 2pkr s ASP 141 Ca -0.01 1.22 0.14 0.00 0.71 0.00 0.00 52.55 54.61 2pkr s ASP 141 Cb 0.10 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.52 2pkr s ASP 141 CO 0.50 -1.64 1.39 0.71 0.21 0.00 0.00 175.17 176.34 2pkr h THR 142 N 6.73 0.97 -3.35 -1.27 1.35 -1.89 -3.44 112.91 112.01 2pkr h THR 142 Ca -0.33 -2.39 -0.39 0.00 -0.55 0.00 0.00 66.41 62.75 2pkr h THR 142 Cb 1.16 2.47 -0.37 0.00 -1.73 0.00 0.00 68.15 69.68 2pkr h THR 142 CO 1.04 0.55 -0.76 -0.63 -0.25 0.00 0.00 175.52 175.48 2pkr s ILE 143 N -2.92 0.24 0.20 6.82 1.01 -1.26 -0.59 121.20 124.70 2pkr s ILE 143 Ca 0.03 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.88 2pkr s ILE 143 Cb 0.08 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 2pkr s ILE 143 CO 0.76 0.21 -0.07 0.27 0.00 0.00 0.00 174.94 176.11 2pkr s ILE 144 N 1.65 1.27 -0.04 2.92 -4.36 -0.10 -4.08 121.20 118.46 2pkr s ILE 144 Ca -0.01 -2.08 0.04 0.00 -0.26 0.00 0.00 60.65 58.34 2pkr s ILE 144 Cb -0.13 -2.14 -0.00 0.00 1.25 0.00 0.00 42.46 41.44 2pkr s ILE 144 CO -0.03 -0.51 -0.15 -0.55 0.24 0.00 0.00 174.94 173.94 2pkr s SER 145 N -3.28 1.95 -0.13 4.36 0.15 0.06 0.05 113.70 116.86 2pkr s SER 145 Ca 0.24 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.66 2pkr s SER 145 Cb 0.03 -0.52 0.48 0.00 -1.71 0.00 0.00 66.02 64.31 2pkr s SER 145 CO 0.06 0.14 1.25 -3.20 1.20 0.00 0.00 173.24 172.69 2pkr n ASN 146 N 3.14 3.67 -1.01 5.45 5.15 -0.61 -0.70 115.26 130.34 2pkr n ASN 146 Ca -0.18 -2.49 0.01 0.00 -0.60 0.00 0.00 54.58 51.31 2pkr n ASN 146 Cb 0.53 -0.58 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2pkr n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkr n ALA 147 N 0.42 -0.10 -2.06 5.20 0.00 -1.23 -4.79 120.51 117.95 2pkr n ALA 147 Ca 0.16 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 2pkr n ALA 147 Cb 0.77 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 20.21 2pkr n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pkr s SER 148 N -4.09 5.51 0.17 0.00 1.04 -1.26 -3.42 113.70 111.65 2pkr s SER 148 Ca 0.00 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 2pkr s SER 148 Cb 0.00 -0.91 0.07 0.00 0.10 0.00 0.00 66.02 65.28 2pkr s SER 148 CO 0.00 -0.92 1.75 0.00 0.98 0.00 0.00 173.24 175.05 2pkr h THR 150 N 0.77 1.22 -0.21 0.00 2.02 -1.95 -1.96 112.91 112.80 2pkr h THR 150 Ca 0.19 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 2pkr h THR 150 Cb 0.12 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2pkr h THR 150 CO -0.02 0.29 -0.28 0.74 0.37 0.00 0.00 175.52 176.61 2pkr h THR 151 N 0.89 1.27 0.00 3.16 2.02 -1.78 -1.02 112.91 117.44 2pkr h THR 151 Ca 0.21 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 2pkr h THR 151 Cb 0.21 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2pkr h THR 151 CO -0.01 0.40 -0.31 0.78 0.37 0.00 0.00 175.52 176.75 2pkr h ASN 152 N 0.36 0.00 0.29 4.18 4.21 -0.70 -1.40 115.58 122.52 2pkr h ASN 152 Ca 0.05 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.23 2pkr h ASN 152 Cb 0.68 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2pkr h ASN 152 CO 0.05 0.31 -1.52 0.00 -1.29 0.00 0.00 177.43 174.99 2pkr h LEU 154 N 0.13 -0.11 -0.79 0.00 5.85 -1.12 -3.39 115.31 115.88 2pkr h LEU 154 Ca -0.26 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 58.25 2pkr h LEU 154 Cb 2.14 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 43.06 2pkr h LEU 154 CO 0.25 0.52 -0.24 0.00 -0.34 0.00 0.00 178.44 178.62 2pkr h ALA 155 N -0.53 0.39 -0.32 1.25 0.00 -1.48 -0.04 119.26 118.53 2pkr h ALA 155 Ca -0.01 0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2pkr h ALA 155 Cb 0.46 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2pkr h ALA 155 CO 0.02 -0.47 -0.13 -1.35 0.00 0.00 0.00 179.25 177.32 2pkr h PRO 156 N -0.03 -0.07 0.00 0.00 0.11 -1.76 -0.16 132.00 130.09 2pkr h PRO 156 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2pkr h PRO 156 Cb 0.58 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2pkr h PRO 156 CO -0.82 -0.04 -0.34 0.27 -0.21 0.00 0.00 178.00 176.85 2pkr h PHE 157 N -0.07 0.00 -0.13 0.65 -5.15 -1.65 -3.07 116.94 107.53 2pkr h PHE 157 Ca 0.16 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.78 2pkr h PHE 157 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.48 2pkr h PHE 157 CO -0.34 0.00 -0.59 0.28 -2.00 0.00 0.00 178.31 175.66 2pkr h VAL 158 N 0.00 1.35 -0.71 0.88 2.07 -0.54 -1.69 116.25 117.60 2pkr h VAL 158 Ca 0.00 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2pkr h VAL 158 Cb 0.81 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2pkr h VAL 158 CO 0.00 0.58 0.28 0.50 0.02 0.00 0.00 177.57 178.95 2pkr h LYS 159 N 0.31 1.07 -0.38 1.57 3.64 -0.98 0.52 116.57 122.32 2pkr h LYS 159 Ca -0.00 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2pkr h LYS 159 Cb 1.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2pkr h LYS 159 CO 0.10 0.88 -0.03 0.28 -2.27 0.00 0.00 179.45 178.41 2pkr h VAL 160 N 1.02 1.27 -0.47 2.00 2.07 -1.44 -1.89 116.25 118.82 2pkr h VAL 160 Ca 0.24 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2pkr h VAL 160 Cb 0.22 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2pkr h VAL 160 CO -0.02 0.36 0.21 -0.07 0.02 0.00 0.00 177.57 178.07 2pkr h LEU 161 N 0.51 0.62 -0.56 2.57 3.38 -0.73 -0.80 115.31 120.30 2pkr h LEU 161 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2pkr h LEU 161 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2pkr h LEU 161 CO 0.03 0.59 0.10 -0.78 0.09 0.00 0.00 178.44 178.47 2pkr h ASP 162 N 0.61 0.88 -0.10 -0.43 3.58 -0.90 0.43 116.42 120.51 2pkr h ASP 162 Ca 0.16 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 2pkr h ASP 162 Cb 0.14 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 2pkr h ASP 162 CO -0.02 0.91 -0.04 -0.61 -2.88 0.00 0.00 179.24 176.60 2pkr h GLN 163 N 0.82 0.20 -0.00 0.28 4.15 -1.18 -0.87 115.11 118.51 2pkr h GLN 163 Ca 0.17 -0.09 -0.22 0.00 0.77 0.00 0.00 58.65 59.29 2pkr h GLN 163 Cb 0.40 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 2pkr h GLN 163 CO 0.01 0.55 -0.92 0.87 -1.93 0.00 0.00 178.83 177.41 2pkr h LYS 164 N -0.16 0.35 0.00 1.69 6.56 -1.10 -3.40 116.57 120.51 2pkr h LYS 164 Ca 0.02 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2pkr h LYS 164 Cb 0.49 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 2pkr h LYS 164 CO 0.01 1.06 -0.56 1.19 -2.06 0.00 0.00 179.45 179.10 2pkr n PHE 165 N -3.73 0.00 -1.34 -1.35 3.72 0.15 -4.96 117.46 109.95 2pkr n PHE 165 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2pkr n PHE 165 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 2pkr n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pkr n GLY 166 N 1.54 -3.68 3.62 1.37 0.00 -0.33 -2.10 105.19 105.60 2pkr n GLY 166 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 2pkr n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkr s ILE 167 N -0.16 4.96 -0.06 -0.61 1.01 -1.26 -0.73 121.20 124.35 2pkr s ILE 167 Ca 0.00 1.02 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 2pkr s ILE 167 Cb 0.00 -3.96 -0.28 0.00 0.01 0.00 0.00 42.46 38.23 2pkr s ILE 167 CO 0.00 -0.04 0.92 0.40 0.00 0.00 0.00 174.94 176.22 2pkr h ILE 168 N 5.47 1.57 -1.84 2.92 2.04 -1.14 -3.48 117.51 123.04 2pkr h ILE 168 Ca -0.27 -2.33 0.23 0.00 1.00 0.00 0.00 64.86 63.49 2pkr h ILE 168 Cb 1.12 3.08 -0.13 0.00 -0.74 0.00 0.00 36.82 40.15 2pkr h ILE 168 CO 0.78 0.65 0.67 -1.59 0.00 0.00 0.00 178.15 178.66 2pkr s LYS 169 N -2.62 0.66 0.08 2.37 -2.85 -1.20 -4.83 119.74 111.34 2pkr s LYS 169 Ca -0.15 -0.32 -0.27 0.00 -1.00 0.00 0.00 55.97 54.23 2pkr s LYS 169 Cb 0.00 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2pkr s LYS 169 CO 0.79 -0.30 1.11 0.20 0.10 0.00 0.00 175.35 177.25 2pkr s GLY 170 N -2.68 -0.31 0.10 0.59 0.00 0.17 -1.08 107.32 104.11 2pkr s GLY 170 Ca 0.11 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.23 2pkr s GLY 170 CO -0.04 0.06 -0.09 -1.08 0.00 0.00 0.00 173.10 171.96 2pkr s THR 171 N -2.89 0.85 0.03 0.90 -1.32 0.39 -3.09 115.64 110.50 2pkr s THR 171 Ca 0.13 -1.76 -0.04 0.00 -1.21 0.00 0.00 61.69 58.81 2pkr s THR 171 Cb 0.01 -1.49 -0.01 0.00 -1.51 0.00 0.00 72.50 69.50 2pkr s THR 171 CO -0.00 -0.69 0.06 -0.32 -2.21 0.00 0.00 174.62 171.45 2pkr s MET 172 N -3.21 0.50 -0.02 7.08 1.75 -0.33 -1.28 119.30 123.79 2pkr s MET 172 Ca 0.08 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 2pkr s MET 172 Cb 0.00 0.19 0.03 0.00 2.84 0.00 0.00 34.83 37.90 2pkr s MET 172 CO -0.02 -0.11 0.03 0.99 -0.65 0.00 0.00 175.02 175.26 2pkr s THR 173 N -2.26 -0.03 -0.18 10.11 2.01 -0.48 -1.61 115.64 123.19 2pkr s THR 173 Ca -0.08 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 2pkr s THR 173 Cb -0.03 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.37 2pkr s THR 173 CO -0.03 0.10 -0.13 0.28 -0.69 0.00 0.00 174.62 174.15 2pkr s THR 174 N 1.09 2.74 -0.67 -0.82 -1.32 -0.81 -0.32 115.64 115.53 2pkr s THR 174 Ca -0.09 -0.72 -0.22 0.00 -1.21 0.00 0.00 61.69 59.45 2pkr s THR 174 Cb -0.13 -2.19 0.08 0.00 -1.51 0.00 0.00 72.50 68.75 2pkr s THR 174 CO -0.03 0.49 0.94 -0.89 -2.21 0.00 0.00 174.62 172.92 2pkr s THR 175 N 1.17 4.42 -0.10 5.08 2.01 -0.26 -0.27 115.64 127.69 2pkr s THR 175 Ca 0.02 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 2pkr s THR 175 Cb -0.14 -4.66 -0.03 0.00 0.01 0.00 0.00 72.50 67.67 2pkr s THR 175 CO -0.05 -1.41 0.02 -2.28 -0.69 0.00 0.00 174.62 170.21 2pkr s HIS 176 N 3.77 3.21 0.68 4.92 5.04 -0.22 -1.45 115.29 131.25 2pkr s HIS 176 Ca 0.21 0.21 -0.15 0.00 -1.54 0.00 0.00 55.06 53.79 2pkr s HIS 176 Cb -0.17 -1.83 0.01 0.00 0.04 0.00 0.00 32.58 30.64 2pkr s HIS 176 CO 0.08 0.47 1.16 -1.12 -2.34 0.00 0.00 174.74 172.99 2pkr s SER 177 N -0.81 4.74 0.83 9.88 0.01 -1.24 -0.96 113.70 126.16 2pkr s SER 177 Ca 0.12 2.18 -0.11 0.00 1.31 0.00 0.00 55.95 59.45 2pkr s SER 177 Cb -0.12 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.63 2pkr s SER 177 CO 0.02 -1.88 1.10 -0.72 0.41 0.00 0.00 173.24 172.16 2pkr s TYR 178 N -2.13 2.40 0.15 2.43 -0.85 -0.50 -4.76 117.35 114.09 2pkr s TYR 178 Ca 0.71 1.49 0.02 0.00 -0.52 0.00 0.00 57.07 58.76 2pkr s TYR 178 Cb -0.25 -3.11 -0.04 0.00 0.38 0.00 0.00 41.96 38.94 2pkr s TYR 178 CO 0.42 -2.09 -0.02 0.95 -1.52 0.00 0.00 175.55 173.29 2pkr s THR 179 N -2.88 0.66 -0.15 -3.49 -4.23 -1.26 -4.73 115.64 99.55 2pkr s THR 179 Ca 0.62 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2pkr s THR 179 Cb -0.18 -1.98 0.09 0.00 1.34 0.00 0.00 72.50 71.78 2pkr s THR 179 CO 0.57 -0.60 1.15 0.61 -0.54 0.00 0.00 174.62 175.80 2pkr n GLY 180 N -0.17 -0.52 0.22 3.99 0.00 -1.26 -0.43 105.19 107.01 2pkr n GLY 180 Ca -0.08 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2pkr n GLY 180 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pkr h ASP 181 N 0.00 0.00 -3.75 1.61 3.58 -1.98 -3.44 116.42 112.43 2pkr h ASP 181 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2pkr h ASP 181 Cb 0.55 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.67 2pkr h ASP 181 CO 0.00 0.00 0.22 -1.10 -2.88 0.00 0.00 179.24 175.48 2pkr s GLN 182 N -3.33 2.43 -0.08 0.28 -0.21 0.43 -4.96 119.66 114.21 2pkr s GLN 182 Ca 0.06 -0.16 -0.05 0.00 0.02 0.00 0.00 55.36 55.23 2pkr s GLN 182 Cb 0.07 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 2pkr s GLN 182 CO 0.61 -1.08 0.12 1.03 -2.12 0.00 0.00 175.29 173.86 2pkr s ARG 183 N -5.18 3.34 0.10 2.91 1.81 -1.08 -4.97 118.95 115.88 2pkr s ARG 183 Ca 0.58 -0.24 -0.21 0.00 -1.72 0.00 0.00 55.73 54.14 2pkr s ARG 183 Cb -0.11 -3.08 -0.11 0.00 -0.45 0.00 0.00 34.95 31.21 2pkr s ARG 183 CO 0.45 0.74 1.73 1.25 -0.68 0.00 0.00 175.30 178.79 2pkr h LEU 184 N 4.70 0.14 -8.56 2.53 5.85 -1.92 -1.25 115.31 116.80 2pkr h LEU 184 Ca -0.53 -0.04 -0.42 0.00 0.84 0.00 0.00 57.88 57.73 2pkr h LEU 184 Cb 1.21 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 42.01 2pkr h LEU 184 CO 0.60 0.14 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.31 2pkr s LEU 185 N -10.11 2.36 -0.49 2.25 1.43 -1.26 -3.75 118.68 109.10 2pkr s LEU 185 Ca -0.13 -0.75 -0.46 0.00 -1.03 0.00 0.00 54.13 51.76 2pkr s LEU 185 Cb 0.07 -0.56 -0.20 0.00 0.03 0.00 0.00 46.19 45.53 2pkr s LEU 185 CO 0.68 -0.11 1.73 0.47 0.23 0.00 0.00 176.35 179.35 2pkr n ASP 186 N 0.76 1.15 -3.77 2.29 9.92 -1.25 -4.49 116.55 121.15 2pkr n ASP 186 Ca -0.17 1.07 -0.08 0.00 -0.53 0.00 0.00 54.79 55.07 2pkr n ASP 186 Cb 0.56 -0.89 -0.03 0.00 -0.64 0.00 0.00 41.12 40.12 2pkr n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkr s ALA 187 N 3.73 -0.77 0.36 2.24 0.00 0.17 -4.95 121.76 122.54 2pkr s ALA 187 Ca 1.08 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 2pkr s ALA 187 Cb -1.48 0.91 -0.12 0.00 0.00 0.00 0.00 23.12 22.43 2pkr s ALA 187 CO 0.78 -0.97 1.05 0.43 0.00 0.00 0.00 175.76 177.05 2pkr n SER 188 N -0.58 1.51 -3.64 0.00 7.64 -1.26 -4.53 113.62 112.75 2pkr n SER 188 Ca -0.04 1.11 -0.05 0.00 1.01 0.00 0.00 58.87 60.91 2pkr n SER 188 Cb 0.60 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 2pkr n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pkr s HIS 190 N -1.18 -0.16 0.36 1.43 5.04 -1.26 -4.89 115.29 114.64 2pkr s HIS 190 Ca 0.60 0.35 0.09 0.00 -1.54 0.00 0.00 55.06 54.56 2pkr s HIS 190 Cb -0.60 0.46 0.69 0.00 0.04 0.00 0.00 32.58 33.16 2pkr s HIS 190 CO 0.59 -0.10 1.85 0.07 -2.34 0.00 0.00 174.74 174.81 2pkr h ARG 191 N 2.97 0.24 -5.23 2.88 0.11 -1.97 -3.36 114.38 110.00 2pkr h ARG 191 Ca -0.21 -0.07 -0.66 0.00 0.10 0.00 0.00 59.98 59.14 2pkr h ARG 191 Cb 1.19 -0.02 -0.16 0.00 1.11 0.00 0.00 29.97 32.08 2pkr h ARG 191 CO 0.19 0.45 0.27 0.34 0.10 0.00 0.00 179.97 181.32 2pkr s ASP 192 N -6.88 6.24 0.65 0.08 -1.08 -1.26 -4.91 116.67 109.51 2pkr s ASP 192 Ca -0.05 -0.85 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 2pkr s ASP 192 Cb 0.15 -2.35 1.71 0.00 -1.46 0.00 0.00 42.92 40.97 2pkr s ASP 192 CO 0.74 -1.09 1.99 -0.07 0.52 0.00 0.00 175.17 177.26 2pkr h LEU 193 N 10.33 0.00 0.11 -1.34 3.38 -1.99 -1.42 115.31 124.38 2pkr h LEU 193 Ca -0.28 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.44 2pkr h LEU 193 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pkr h LEU 193 CO 1.05 0.00 -1.28 0.03 0.09 0.00 0.00 178.44 178.32 2pkr h ARG 194 N 0.00 0.24 0.00 1.13 3.08 -1.91 -3.29 114.38 113.64 2pkr h ARG 194 Ca 0.04 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2pkr h ARG 194 Cb 0.63 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2pkr h ARG 194 CO -0.00 1.20 0.00 0.54 -1.07 0.00 0.00 179.97 180.64 2pkr n ARG 195 N -3.98 0.14 0.09 0.04 1.74 -0.60 -1.55 116.66 112.54 2pkr n ARG 195 Ca -0.23 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.18 2pkr n ARG 195 Cb 0.87 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.23 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr n ALA 196 N -1.30 2.34 -2.22 7.54 0.00 -0.83 -2.65 120.51 123.39 2pkr n ALA 196 Ca 0.05 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2pkr n ALA 196 Cb 0.08 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 2pkr n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pkr s ARG 197 N -3.09 4.27 -0.38 0.00 1.81 -0.59 -0.65 118.95 120.31 2pkr s ARG 197 Ca 0.11 0.82 -0.34 0.00 -1.72 0.00 0.00 55.73 54.60 2pkr s ARG 197 Cb 0.13 -3.25 -0.15 0.00 -0.45 0.00 0.00 34.95 31.24 2pkr s ARG 197 CO 0.60 0.62 1.63 0.00 -0.68 0.00 0.00 175.30 177.47 2pkr n ALA 198 N 1.72 0.13 0.22 2.13 0.00 -1.26 -4.51 120.51 118.94 2pkr n ALA 198 Ca -0.09 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2pkr n ALA 198 Cb 0.50 -1.59 0.52 0.00 0.00 0.00 0.00 19.45 18.88 2pkr n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr h ALA 199 N 6.82 1.22 -0.01 0.00 0.00 -1.31 -2.81 119.26 123.17 2pkr h ALA 199 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pkr h ALA 199 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pkr h ALA 199 CO 0.84 0.31 -0.23 0.00 0.00 0.00 0.00 179.25 180.16 2pkr n LEU 201 N -0.45 0.55 -4.26 0.00 4.77 -1.07 -4.73 117.00 111.80 2pkr n LEU 201 Ca 0.13 -0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 2pkr n LEU 201 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2pkr n LEU 201 CO 0.24 0.14 -0.41 0.20 -1.33 0.00 0.00 177.39 176.24 2pkr s ASN 202 N -2.55 1.86 -0.34 -1.43 -0.87 -1.12 -5.07 114.94 105.42 2pkr s ASN 202 Ca 0.04 -1.03 -0.15 0.00 -1.57 0.00 0.00 52.86 50.14 2pkr s ASN 202 Cb 0.10 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.25 41.30 2pkr s ASN 202 CO 0.58 -0.34 0.37 -0.63 -2.57 0.00 0.00 177.10 174.51 2pkr s ILE 203 N -3.31 5.16 -0.37 0.60 1.01 -1.26 -4.23 121.20 118.80 2pkr s ILE 203 Ca 0.18 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 2pkr s ILE 203 Cb 0.03 -3.82 0.06 0.00 0.01 0.00 0.00 42.46 38.74 2pkr s ILE 203 CO 0.02 -0.09 0.17 -0.69 0.00 0.00 0.00 174.94 174.34 2pkr s VAL 204 N 2.03 3.81 0.45 2.92 1.01 0.14 -4.92 120.40 125.85 2pkr s VAL 204 Ca 0.12 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 2pkr s VAL 204 Cb -0.16 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 2pkr s VAL 204 CO 0.12 -0.36 1.08 -2.84 0.00 0.00 0.00 175.10 173.09 2pkr s PRO 205 N 1.36 3.88 0.14 2.72 0.02 -1.26 -0.22 135.00 141.64 2pkr s PRO 205 Ca 0.01 1.53 -0.22 0.00 0.02 0.00 0.00 61.00 62.34 2pkr s PRO 205 Cb -0.21 -2.31 0.06 0.00 0.02 0.00 0.00 34.50 32.06 2pkr s PRO 205 CO 0.01 -0.39 0.56 -0.08 -0.33 0.00 0.00 177.00 176.77 2pkr s THR 206 N -1.75 0.01 0.75 0.99 -1.32 0.70 -4.69 115.64 110.33 2pkr s THR 206 Ca 0.64 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.88 2pkr s THR 206 Cb -0.22 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 69.78 2pkr s THR 206 CO 0.26 -0.07 1.08 -0.94 -2.21 0.00 0.00 174.62 172.74 2pkr s SER 207 N -2.65 4.84 -0.11 8.08 1.04 -1.26 -0.82 113.70 122.83 2pkr s SER 207 Ca 0.00 1.66 -0.08 0.00 0.48 0.00 0.00 55.95 58.01 2pkr s SER 207 Cb -0.00 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2pkr s SER 207 CO -0.11 -1.80 0.27 0.28 0.98 0.00 0.00 173.24 172.86 2pkr s THR 208 N -2.99 -0.01 -1.74 2.02 -1.32 -1.26 -4.59 115.64 105.75 2pkr s THR 208 Ca 0.60 0.04 0.24 0.00 -1.21 0.00 0.00 61.69 61.36 2pkr s THR 208 Cb -0.15 -0.39 0.05 0.00 -1.51 0.00 0.00 72.50 70.50 2pkr s THR 208 CO 0.55 0.02 1.24 0.61 -2.21 0.00 0.00 174.62 174.83 2pkr n GLY 209 N 3.32 -0.40 0.49 6.08 0.00 -1.26 -4.39 105.19 109.03 2pkr n GLY 209 Ca -0.16 -0.54 0.35 0.00 0.00 0.00 0.00 46.02 45.67 2pkr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr h ALA 210 N 3.64 2.79 -0.29 4.61 0.00 -1.96 0.44 119.26 128.51 2pkr h ALA 210 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2pkr h ALA 210 Cb 0.62 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pkr h ALA 210 CO 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 179.25 177.63 2pkr h ALA 211 N 1.52 0.42 0.01 0.00 0.00 -1.90 -1.28 119.26 118.03 2pkr h ALA 211 Ca 0.75 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 211 Cb 2.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.12 2pkr h ALA 211 CO -0.30 0.44 -0.87 1.57 0.00 0.00 0.00 179.25 180.08 2pkr h LYS 212 N 0.44 0.10 -0.48 0.00 2.10 -0.98 -3.19 116.57 114.56 2pkr h LYS 212 Ca 0.05 -0.11 -0.05 0.00 -2.00 0.00 0.00 60.65 58.53 2pkr h LYS 212 Cb 0.86 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2pkr h LYS 212 CO 0.07 0.91 0.09 0.00 -2.00 0.00 0.00 179.45 178.52 2pkr h ALA 213 N 1.05 1.26 -0.92 0.07 0.00 -0.12 -1.87 119.26 118.72 2pkr h ALA 213 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2pkr h ALA 213 Cb 1.52 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2pkr h ALA 213 CO 0.12 0.51 0.60 0.28 0.00 0.00 0.00 179.25 180.77 2pkr h VAL 214 N 0.72 1.08 0.00 0.00 2.07 -1.21 0.08 116.25 118.98 2pkr h VAL 214 Ca 0.16 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pkr h VAL 214 Cb 0.31 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2pkr h VAL 214 CO 0.00 0.19 -0.12 0.00 0.02 0.00 0.00 177.57 177.67 2pkr h ALA 215 N 1.50 1.12 -0.36 1.67 0.00 -1.42 0.10 119.26 121.88 2pkr h ALA 215 Ca 0.39 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 2pkr h ALA 215 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pkr h ALA 215 CO -0.15 0.14 -0.41 -0.07 0.00 0.00 0.00 179.25 178.77 2pkr h LEU 216 N 0.00 0.95 0.00 0.00 3.38 -0.85 -2.40 115.31 116.40 2pkr h LEU 216 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pkr h LEU 216 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2pkr h LEU 216 CO 0.01 1.23 -0.81 1.33 0.09 0.00 0.00 178.44 180.29 2pkr n VAL 217 N -4.05 0.06 -3.45 1.22 0.24 -1.06 -4.51 118.33 106.78 2pkr n VAL 217 Ca -0.02 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 2pkr n VAL 217 Cb 0.55 0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 33.26 2pkr n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pkr n LEU 218 N -1.66 0.18 -0.40 1.34 4.77 0.34 -4.55 117.00 117.02 2pkr n LEU 218 Ca 0.04 -4.55 0.37 0.00 -0.03 0.00 0.00 56.01 51.85 2pkr n LEU 218 Cb 0.37 0.34 0.74 0.00 -2.33 0.00 0.00 43.42 42.53 2pkr n LEU 218 CO 0.39 1.87 1.34 -0.65 -1.33 0.00 0.00 177.39 179.00 2pkr h PRO 219 N 5.43 0.04 0.00 3.23 0.11 -1.66 0.52 132.00 139.67 2pkr h PRO 219 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2pkr h PRO 219 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pkr h PRO 219 CO 0.44 0.03 0.00 -0.97 -0.21 0.00 0.00 178.00 177.29 2pkr h ASN 220 N 0.04 0.00 -0.18 -2.05 -1.24 -1.95 -2.34 115.58 107.86 2pkr h ASN 220 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.66 2pkr h ASN 220 Cb 2.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.52 2pkr h ASN 220 CO -0.06 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.26 2pkr n LEU 221 N -2.77 2.41 -4.61 0.34 7.99 0.18 -4.93 117.00 115.60 2pkr n LEU 221 Ca -0.00 -0.95 -0.47 0.00 -0.01 0.00 0.00 56.01 54.57 2pkr n LEU 221 Cb 0.18 -0.11 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 2pkr n LEU 221 CO 0.21 0.48 0.81 1.17 -1.51 0.00 0.00 177.39 178.54 2pkr n LYS 222 N 0.83 1.46 -0.95 3.23 4.81 -0.88 -1.33 118.16 125.32 2pkr n LYS 222 Ca 0.17 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2pkr n LYS 222 Cb 0.46 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 223 N 2.04 0.01 0.00 3.14 0.00 -1.26 -4.82 105.19 104.31 2pkr n GLY 223 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2pkr n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pkr n LYS 224 N 0.62 0.10 -4.20 1.61 5.02 -0.44 -5.01 118.16 115.86 2pkr n LYS 224 Ca 0.00 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2pkr n LYS 224 Cb 0.44 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 2pkr n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkr s LEU 225 N -3.23 2.47 0.30 -0.35 1.43 -1.26 -0.65 118.68 117.40 2pkr s LEU 225 Ca 0.06 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 2pkr s LEU 225 Cb 0.16 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 46.12 2pkr s LEU 225 CO 0.87 -0.32 0.67 0.21 0.23 0.00 0.00 176.35 178.01 2pkr s ASN 226 N -2.82 -0.08 0.00 2.29 2.47 -1.18 -4.56 114.94 111.07 2pkr s ASN 226 Ca 0.11 -0.87 0.00 0.00 0.42 0.00 0.00 52.86 52.52 2pkr s ASN 226 Cb 0.01 0.73 0.00 0.00 -1.45 0.00 0.00 41.25 40.53 2pkr s ASN 226 CO -0.01 -1.39 0.00 0.61 -3.72 0.00 0.00 177.10 172.59 2pkr n GLY 227 N -0.47 -1.03 3.35 1.21 0.00 -1.26 -1.19 105.19 105.80 2pkr n GLY 227 Ca -0.04 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 2pkr n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pkr s ILE 228 N -2.00 0.00 0.09 -0.61 -5.25 -0.63 -4.43 121.20 108.37 2pkr s ILE 228 Ca 0.00 -1.80 0.09 0.00 -0.99 0.00 0.00 60.65 57.95 2pkr s ILE 228 Cb 0.00 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.93 2pkr s ILE 228 CO 0.00 0.00 -0.23 0.00 -1.79 0.00 0.00 174.94 172.92 2pkr s ALA 229 N -3.90 1.96 -0.28 2.27 0.00 0.00 -1.93 121.76 119.89 2pkr s ALA 229 Ca 0.34 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2pkr s ALA 229 Cb 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.92 2pkr s ALA 229 CO 0.14 0.42 -0.01 -0.51 0.00 0.00 0.00 175.76 175.80 2pkr s LEU 230 N -1.73 3.33 0.06 0.00 1.43 0.62 -0.22 118.68 122.18 2pkr s LEU 230 Ca 0.09 -1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 51.32 2pkr s LEU 230 Cb -0.10 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 2pkr s LEU 230 CO 0.04 -0.29 1.04 -0.13 0.23 0.00 0.00 176.35 177.23 2pkr s ARG 231 N 1.23 4.57 0.25 1.70 1.81 0.69 -1.06 118.95 128.14 2pkr s ARG 231 Ca 0.01 1.54 0.08 0.00 -1.72 0.00 0.00 55.73 55.63 2pkr s ARG 231 Cb -0.19 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 30.87 2pkr s ARG 231 CO -0.09 -0.01 -0.11 0.14 -0.68 0.00 0.00 175.30 174.54 2pkr s VAL 232 N 0.61 1.82 0.00 3.52 -7.23 -0.13 0.28 120.40 119.27 2pkr s VAL 232 Ca 0.52 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2pkr s VAL 232 Cb -0.24 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 2pkr s VAL 232 CO 0.30 -0.43 1.30 -2.65 -0.31 0.00 0.00 175.10 173.30 2pkr n PRO 233 N -0.51 0.56 -5.17 4.82 -0.02 -1.26 -2.91 135.00 130.51 2pkr n PRO 233 Ca -0.06 -0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 60.88 2pkr n PRO 233 Cb 0.62 -1.59 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 2pkr n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pkr s THR 234 N 2.15 1.86 -0.09 3.45 -4.23 -1.26 -5.00 115.64 112.53 2pkr s THR 234 Ca 0.16 -1.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.94 2pkr s THR 234 Cb 0.08 -1.55 0.32 0.00 1.34 0.00 0.00 72.50 72.70 2pkr s THR 234 CO 0.00 0.53 1.80 1.55 -0.54 0.00 0.00 174.62 177.95 2pkr h PRO 235 N 5.59 0.00 -1.70 3.99 0.13 -1.87 -1.33 132.00 136.81 2pkr h PRO 235 Ca -0.41 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.76 2pkr h PRO 235 Cb 1.13 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.04 2pkr h PRO 235 CO 0.47 0.08 0.42 1.21 -0.23 0.00 0.00 178.00 179.95 2pkr s ASN 236 N -6.01 -0.48 0.00 1.44 2.47 -1.26 -4.66 114.94 106.44 2pkr s ASN 236 Ca 0.03 0.64 0.00 0.00 0.42 0.00 0.00 52.86 53.95 2pkr s ASN 236 Cb 0.08 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 2pkr s ASN 236 CO 0.62 -0.36 0.00 0.52 -3.72 0.00 0.00 177.10 174.16 2pkr n VAL 237 N 1.21 -0.25 -4.32 -5.21 0.31 -1.26 -4.87 118.33 103.95 2pkr n VAL 237 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 2pkr n VAL 237 Cb 0.57 -0.14 -0.08 0.00 -0.91 0.00 0.00 33.84 33.28 2pkr n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2pkr s SER 238 N -0.36 1.68 -0.15 4.52 0.01 0.40 -3.62 113.70 116.18 2pkr s SER 238 Ca 0.00 -1.69 -0.10 0.00 1.31 0.00 0.00 55.95 55.46 2pkr s SER 238 Cb 0.00 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.80 2pkr s SER 238 CO 0.00 -1.01 0.37 0.54 0.41 0.00 0.00 173.24 173.55 2pkr s VAL 239 N -3.50 -0.02 -0.01 3.43 0.11 -0.53 -1.00 120.40 118.89 2pkr s VAL 239 Ca 0.37 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2pkr s VAL 239 Cb 0.03 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2pkr s VAL 239 CO 0.23 0.02 0.14 0.54 -3.33 0.00 0.00 175.10 172.71 2pkr s VAL 240 N 0.81 5.15 -0.31 2.04 0.11 0.23 -1.11 120.40 127.33 2pkr s VAL 240 Ca -0.05 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2pkr s VAL 240 Cb -0.06 -3.39 0.09 0.00 -1.53 0.00 0.00 36.38 31.49 2pkr s VAL 240 CO -0.06 0.33 0.01 -0.62 -3.33 0.00 0.00 175.10 171.44 2pkr s ASP 241 N -1.87 4.49 -0.16 3.54 2.15 0.57 -1.11 116.67 124.28 2pkr s ASP 241 Ca 0.26 -1.81 -0.05 0.00 0.43 0.00 0.00 52.55 51.38 2pkr s ASP 241 Cb -0.12 -1.45 -0.03 0.00 -0.30 0.00 0.00 42.92 41.01 2pkr s ASP 241 CO 0.17 -0.33 -0.01 -0.22 -0.17 0.00 0.00 175.17 174.61 2pkr s LEU 242 N 1.10 3.41 -0.14 -1.34 2.96 -0.28 -1.39 118.68 123.00 2pkr s LEU 242 Ca 0.05 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2pkr s LEU 242 Cb -0.19 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2pkr s LEU 242 CO -0.10 0.18 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.25 2pkr s VAL 243 N 0.30 1.75 0.03 1.68 1.01 -0.40 -0.46 120.40 124.30 2pkr s VAL 243 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2pkr s VAL 243 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2pkr s VAL 243 CO 0.02 0.49 -0.08 0.68 0.00 0.00 0.00 175.10 176.21 2pkr s VAL 244 N 1.19 0.57 -0.22 2.92 -7.23 -0.28 -0.46 120.40 116.89 2pkr s VAL 244 Ca -0.00 -0.81 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 2pkr s VAL 244 Cb -0.14 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2pkr s VAL 244 CO -0.07 -0.18 0.23 -1.58 -0.31 0.00 0.00 175.10 173.19 2pkr s GLN 245 N -1.08 4.13 0.25 4.82 0.74 -0.24 -0.18 119.66 128.10 2pkr s GLN 245 Ca -0.05 -0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.32 2pkr s GLN 245 Cb -0.07 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2pkr s GLN 245 CO 0.00 0.07 0.17 0.14 -0.55 0.00 0.00 175.29 175.13 2pkr s VAL 246 N 1.01 4.31 -0.01 1.34 -7.23 0.31 -0.53 120.40 119.60 2pkr s VAL 246 Ca 0.11 -1.47 0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2pkr s VAL 246 Cb -0.14 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 2pkr s VAL 246 CO 0.05 -0.35 1.29 0.77 -0.31 0.00 0.00 175.10 176.54 2pkr h SER 247 N 1.54 0.00 -3.69 4.85 4.64 -0.56 -3.44 113.55 116.90 2pkr h SER 247 Ca -0.48 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 2pkr h SER 247 Cb 1.24 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.14 2pkr h SER 247 CO 0.61 0.78 -0.48 -0.75 -0.87 0.00 0.00 176.83 176.12 2pkr s LYS 248 N -2.81 3.42 0.27 4.77 2.20 -0.89 -5.06 119.74 121.64 2pkr s LYS 248 Ca 0.02 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 2pkr s LYS 248 Cb 0.09 -3.82 -0.14 0.00 -1.51 0.00 0.00 37.83 32.45 2pkr s LYS 248 CO 0.79 -0.48 1.26 1.63 -0.36 0.00 0.00 175.35 178.19 2pkr n LYS 249 N 5.11 1.80 -1.01 4.03 5.02 -1.26 -4.89 118.16 126.96 2pkr n LYS 249 Ca -0.12 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2pkr n LYS 249 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2pkr n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2pkr n THR 250 N 1.09 0.00 -3.83 -0.18 5.66 -0.23 -5.03 114.28 111.75 2pkr n THR 250 Ca 0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.01 2pkr n THR 250 Cb 0.32 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.03 2pkr n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2pkr s PHE 251 N -4.71 0.10 0.22 1.09 -0.71 -1.26 -4.62 117.98 108.09 2pkr s PHE 251 Ca 0.00 -0.51 -0.10 0.00 -1.04 0.00 0.00 56.93 55.28 2pkr s PHE 251 Cb 0.00 -0.02 0.33 0.00 -1.21 0.00 0.00 43.02 42.12 2pkr s PHE 251 CO 0.00 -0.56 1.65 0.00 -1.34 0.00 0.00 175.22 174.97 2pkr h ALA 252 N 2.72 0.62 -0.18 1.99 0.00 -1.89 -1.45 119.26 121.08 2pkr h ALA 252 Ca -0.34 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2pkr h ALA 252 Cb 1.21 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2pkr h ALA 252 CO 0.55 -0.41 -0.20 0.93 0.00 0.00 0.00 179.25 180.12 2pkr h GLU 253 N 0.09 0.31 -0.25 0.00 3.07 -1.96 -0.96 114.58 114.87 2pkr h GLU 253 Ca 0.35 -0.09 -0.18 0.00 -0.50 0.00 0.00 59.36 58.94 2pkr h GLU 253 Cb 0.57 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2pkr h GLU 253 CO -0.59 0.50 -0.55 1.49 -1.40 0.00 0.00 179.01 178.46 2pkr h GLU 254 N 0.28 0.77 -0.32 2.33 4.81 -1.76 -0.84 114.58 119.85 2pkr h GLU 254 Ca 0.05 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2pkr h GLU 254 Cb 0.52 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2pkr h GLU 254 CO 0.03 1.11 0.13 0.28 -0.73 0.00 0.00 179.01 179.84 2pkr h VAL 255 N 0.59 1.18 -0.54 0.32 2.07 -0.74 -0.41 116.25 118.72 2pkr h VAL 255 Ca 0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2pkr h VAL 255 Cb 1.14 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2pkr h VAL 255 CO 0.12 0.19 0.34 0.78 0.02 0.00 0.00 177.57 179.02 2pkr h ASN 256 N 0.37 0.63 -0.61 0.57 -0.26 -1.14 -2.03 115.58 113.11 2pkr h ASN 256 Ca 0.11 -0.03 0.07 0.00 -0.56 0.00 0.00 56.30 55.88 2pkr h ASN 256 Cb 0.18 -0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 37.22 2pkr h ASN 256 CO -0.01 0.47 0.31 0.00 -1.06 0.00 0.00 177.43 177.14 2pkr h ALA 257 N 1.18 0.81 -0.53 -0.83 0.00 -0.61 -0.47 119.26 118.80 2pkr h ALA 257 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2pkr h ALA 257 Cb -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2pkr h ALA 257 CO -0.04 -0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.44 2pkr h ALA 258 N 1.35 0.69 -0.68 0.00 0.00 -0.65 -1.62 119.26 118.34 2pkr h ALA 258 Ca 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2pkr h ALA 258 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pkr h ALA 258 CO -0.21 -0.04 0.23 0.74 0.00 0.00 0.00 179.25 179.97 2pkr h PHE 259 N 0.56 1.04 -0.52 0.00 0.04 -0.49 -2.63 116.94 114.93 2pkr h PHE 259 Ca 0.23 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 2pkr h PHE 259 Cb 0.11 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 2pkr h PHE 259 CO -0.09 0.82 0.01 0.00 -0.60 0.00 0.00 178.31 178.45 2pkr h ARG 260 N 0.99 0.88 0.15 1.51 3.08 -0.58 -0.79 114.38 119.61 2pkr h ARG 260 Ca 0.22 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2pkr h ARG 260 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2pkr h ARG 260 CO -0.01 0.87 -0.20 1.49 -1.07 0.00 0.00 179.97 181.05 2pkr h GLU 261 N 0.82 -0.38 -0.70 0.04 4.81 -0.96 -1.07 114.58 117.14 2pkr h GLU 261 Ca 0.16 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2pkr h GLU 261 Cb 0.48 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2pkr h GLU 261 CO 0.02 -0.26 0.29 0.77 -0.73 0.00 0.00 179.01 179.11 2pkr h SER 262 N -0.40 0.93 -0.14 1.04 0.02 -1.43 -2.10 113.55 111.47 2pkr h SER 262 Ca 0.01 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2pkr h SER 262 Cb 0.40 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2pkr h SER 262 CO -0.08 0.82 0.03 0.00 -1.14 0.00 0.00 176.83 176.47 2pkr h ALA 263 N 1.32 1.65 -0.00 3.77 0.00 -0.57 0.23 119.26 125.65 2pkr h ALA 263 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pkr h ALA 263 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pkr h ALA 263 CO -0.02 0.26 -0.33 -0.25 0.00 0.00 0.00 179.25 178.91 2pkr n ASP 264 N -4.39 0.81 0.00 0.00 8.00 -0.46 -3.22 116.55 117.29 2pkr n ASP 264 Ca 0.00 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2pkr n ASP 264 Cb 0.17 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2pkr n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pkr n ASN 265 N -0.97 0.00 0.27 -2.24 3.02 -0.70 -4.83 115.26 109.82 2pkr n ASN 265 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.81 2pkr n ASN 265 Cb 0.34 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.42 2pkr n ASN 265 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2pkr h GLU 266 N 0.00 0.00 -0.32 3.52 9.09 -1.79 -1.95 114.58 123.14 2pkr h GLU 266 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2pkr h GLU 266 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.04 2pkr h GLU 266 CO 0.00 0.00 -0.01 1.28 0.05 0.00 0.00 179.01 180.33 2pkr n LEU 267 N -3.74 4.06 -4.73 3.06 4.77 0.73 -4.99 117.00 116.15 2pkr n LEU 267 Ca -0.01 -3.35 -0.42 0.00 -0.03 0.00 0.00 56.01 52.20 2pkr n LEU 267 Cb 0.17 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 2pkr n LEU 267 CO 0.26 0.92 1.32 -0.75 -1.33 0.00 0.00 177.39 177.82 2pkr s LYS 268 N -3.02 4.12 0.00 3.23 2.20 -0.74 -1.40 119.74 124.13 2pkr s LYS 268 Ca 0.44 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 2pkr s LYS 268 Cb 0.37 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2pkr s LYS 268 CO 0.05 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 2pkr n GLY 269 N 3.17 1.35 0.84 5.54 0.00 -1.26 -4.78 105.19 110.05 2pkr n GLY 269 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2pkr n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkr n ILE 270 N -2.00 0.35 -4.63 -0.61 2.08 -0.49 -4.31 119.36 109.74 2pkr n ILE 270 Ca 0.00 -0.05 -0.31 0.00 0.56 0.00 0.00 62.75 62.95 2pkr n ILE 270 Cb 0.00 -1.58 -0.12 0.00 -0.75 0.00 0.00 39.64 37.19 2pkr n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pkr s LEU 271 N -6.34 2.75 0.11 1.39 2.96 -0.51 0.14 118.68 119.19 2pkr s LEU 271 Ca -0.07 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2pkr s LEU 271 Cb 0.03 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2pkr s LEU 271 CO 0.09 0.27 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.91 2pkr s SER 272 N -1.39 0.98 -0.14 3.68 0.01 0.06 -4.63 113.70 112.26 2pkr s SER 272 Ca 0.15 -1.06 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 2pkr s SER 272 Cb -0.11 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.29 2pkr s SER 272 CO 0.06 -0.53 -0.10 -0.69 0.41 0.00 0.00 173.24 172.39 2pkr s VAL 273 N -3.71 1.30 -0.22 3.43 1.01 -1.26 -1.00 120.40 119.95 2pkr s VAL 273 Ca 0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2pkr s VAL 273 Cb 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2pkr s VAL 273 CO -0.03 0.33 0.10 0.00 0.00 0.00 0.00 175.10 175.50 2pkr n ASP 275 N 4.17 3.28 -4.83 0.00 8.00 -1.26 -2.14 116.55 123.77 2pkr n ASP 275 Ca -0.16 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 52.98 2pkr n ASP 275 Cb 0.52 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2pkr n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2pkr s GLU 276 N -1.70 4.07 -1.23 -1.24 0.41 -1.26 -4.86 118.70 112.89 2pkr s GLU 276 Ca 0.35 0.61 -0.18 0.00 -0.41 0.00 0.00 54.97 55.33 2pkr s GLU 276 Cb 0.22 -2.99 -0.01 0.00 -1.78 0.00 0.00 34.13 29.56 2pkr s GLU 276 CO 0.31 0.50 1.97 -0.35 -0.49 0.00 0.00 175.26 177.21 2pkr n PRO 277 N 1.00 2.49 -3.04 0.39 -0.04 -1.26 -4.93 135.00 129.62 2pkr n PRO 277 Ca -0.06 -2.64 -0.18 0.00 -0.04 0.00 0.00 63.50 60.59 2pkr n PRO 277 Cb 0.51 -3.35 0.01 0.00 -0.04 0.00 0.00 33.50 30.63 2pkr n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pkr s LEU 278 N 4.01 3.67 0.44 1.53 1.43 -1.26 -5.14 118.68 123.37 2pkr s LEU 278 Ca 0.55 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2pkr s LEU 278 Cb 0.09 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 2pkr s LEU 278 CO 0.04 -0.75 0.01 0.68 0.23 0.00 0.00 176.35 176.56 2pkr s VAL 279 N -2.36 1.74 0.28 -1.59 -7.23 -1.26 -5.05 120.40 104.92 2pkr s VAL 279 Ca 0.54 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2pkr s VAL 279 Cb -0.10 -2.74 0.27 0.00 0.56 0.00 0.00 36.38 34.37 2pkr s VAL 279 CO 0.33 0.00 1.70 0.77 -0.31 0.00 0.00 175.10 177.60 2pkr h SER 280 N 1.64 0.29 -0.28 4.85 4.64 -1.98 -1.89 113.55 120.82 2pkr h SER 280 Ca -0.44 0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.10 2pkr h SER 280 Cb 1.26 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2pkr h SER 280 CO 0.79 0.03 0.22 -0.29 -0.87 0.00 0.00 176.83 176.71 2pkr h ILE 281 N 0.41 0.76 0.00 0.95 6.09 -1.97 -2.09 117.51 121.66 2pkr h ILE 281 Ca 0.51 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.00 2pkr h ILE 281 Cb 0.91 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.04 2pkr h ILE 281 CO -0.50 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.05 2pkr n ASP 282 N -4.29 0.72 -1.10 2.19 8.00 -0.71 -2.58 116.55 118.78 2pkr n ASP 282 Ca 0.04 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.31 2pkr n ASP 282 Cb 0.38 -0.82 0.25 0.00 -0.02 0.00 0.00 41.12 40.92 2pkr n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pkr n PHE 283 N -2.27 0.56 -1.97 1.24 3.72 -0.78 -4.93 117.46 113.02 2pkr n PHE 283 Ca 0.03 -0.28 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 2pkr n PHE 283 Cb 0.26 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2pkr n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pkr s ARG 284 N -1.44 4.24 -1.27 -1.08 0.52 -1.06 -2.94 118.95 115.91 2pkr s ARG 284 Ca 0.39 2.37 -0.03 0.00 -0.52 0.00 0.00 55.73 57.94 2pkr s ARG 284 Cb 0.22 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2pkr s ARG 284 CO 0.31 -0.43 0.37 0.00 0.02 0.00 0.00 175.30 175.57 2pkr s THR 286 N -2.99 5.02 -0.39 0.00 -4.23 -1.15 -4.98 115.64 106.93 2pkr s THR 286 Ca 0.18 1.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.95 2pkr s THR 286 Cb -0.08 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.28 2pkr s THR 286 CO 0.23 0.46 1.74 0.44 -0.54 0.00 0.00 174.62 176.95 2pkr h ASP 287 N 5.56 0.00 -4.06 3.99 3.32 -1.93 -3.36 116.42 119.94 2pkr h ASP 287 Ca -0.46 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.12 2pkr h ASP 287 Cb 1.20 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.89 2pkr h ASP 287 CO 0.68 0.00 0.25 0.68 -1.72 0.00 0.00 179.24 179.13 2pkr s VAL 288 N -3.30 2.32 -0.14 -1.35 -7.23 -1.26 -4.82 120.40 104.62 2pkr s VAL 288 Ca 0.06 0.10 0.19 0.00 -1.81 0.00 0.00 61.98 60.52 2pkr s VAL 288 Cb 0.08 -2.68 -0.15 0.00 0.56 0.00 0.00 36.38 34.18 2pkr s VAL 288 CO 0.60 -0.13 0.74 -1.20 -0.31 0.00 0.00 175.10 174.80 2pkr n SER 289 N -3.92 0.64 -3.69 4.85 7.64 0.12 -4.66 113.62 114.60 2pkr n SER 289 Ca 0.06 0.27 -0.12 0.00 1.01 0.00 0.00 58.87 60.09 2pkr n SER 289 Cb 0.57 0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 64.26 2pkr n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pkr s SER 290 N -5.47 -0.57 -0.16 6.43 0.15 -0.90 -4.04 113.70 109.15 2pkr s SER 290 Ca -0.04 1.05 -0.00 0.00 0.70 0.00 0.00 55.95 57.65 2pkr s SER 290 Cb 0.09 1.02 0.04 0.00 -1.71 0.00 0.00 66.02 65.46 2pkr s SER 290 CO 0.82 -0.19 -0.06 -0.89 1.20 0.00 0.00 173.24 174.13 2pkr s THR 291 N 0.66 1.13 0.18 6.45 2.01 -0.62 -0.76 115.64 124.68 2pkr s THR 291 Ca -0.03 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2pkr s THR 291 Cb -0.05 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.11 2pkr s THR 291 CO -0.04 0.16 1.18 -0.63 -0.69 0.00 0.00 174.62 174.59 2pkr s ILE 292 N 1.63 3.65 -0.75 1.82 -1.09 -0.17 0.17 121.20 126.47 2pkr s ILE 292 Ca 0.01 1.39 -0.17 0.00 -2.23 0.00 0.00 60.65 59.65 2pkr s ILE 292 Cb -0.15 -3.89 0.15 0.00 -1.58 0.00 0.00 42.46 36.99 2pkr s ILE 292 CO -0.08 0.22 0.82 -0.62 -1.23 0.00 0.00 174.94 174.05 2pkr s ASP 293 N 0.11 6.48 0.31 3.58 -1.08 0.42 -0.77 116.67 125.72 2pkr s ASP 293 Ca 0.52 -2.02 0.07 0.00 -0.52 0.00 0.00 52.55 50.60 2pkr s ASP 293 Cb -0.32 -2.29 0.77 0.00 -1.46 0.00 0.00 42.92 39.62 2pkr s ASP 293 CO 0.36 -0.91 1.76 0.77 0.52 0.00 0.00 175.17 177.67 2pkr h SER 294 N 8.62 0.76 0.45 -0.34 4.64 -1.73 -1.77 113.55 124.18 2pkr h SER 294 Ca -0.05 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2pkr h SER 294 Cb 1.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2pkr h SER 294 CO 0.99 0.24 0.00 -1.54 -0.87 0.00 0.00 176.83 175.64 2pkr n SER 295 N -4.80 0.00 -0.32 4.97 3.41 -1.26 -2.33 113.62 113.29 2pkr n SER 295 Ca 0.24 0.13 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 2pkr n SER 295 Cb 0.61 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2pkr n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pkr n LEU 296 N -1.34 1.64 -4.73 1.04 4.77 -0.67 -4.95 117.00 112.75 2pkr n LEU 296 Ca 0.08 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 2pkr n LEU 296 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2pkr n LEU 296 CO 0.16 0.33 1.04 -0.89 -1.33 0.00 0.00 177.39 176.69 2pkr s THR 297 N -2.60 3.13 0.05 -5.08 2.01 -0.98 -4.69 115.64 107.48 2pkr s THR 297 Ca 0.14 0.89 0.03 0.00 0.31 0.00 0.00 61.69 63.06 2pkr s THR 297 Cb 0.17 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2pkr s THR 297 CO 0.65 0.11 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.57 2pkr s MET 298 N 0.27 0.61 -0.07 4.92 -1.94 -0.88 -4.83 119.30 117.38 2pkr s MET 298 Ca 0.60 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2pkr s MET 298 Cb -0.38 -0.35 0.03 0.00 2.01 0.00 0.00 34.83 36.14 2pkr s MET 298 CO 0.36 0.06 -0.01 0.08 -0.01 0.00 0.00 175.02 175.50 2pkr s VAL 299 N -1.69 0.45 -0.10 -6.03 1.01 -1.26 -0.52 120.40 112.27 2pkr s VAL 299 Ca -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2pkr s VAL 299 Cb -0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2pkr s VAL 299 CO -0.00 0.26 -0.09 -0.04 0.00 0.00 0.00 175.10 175.23 2pkr s MET 300 N 1.69 3.07 -1.81 2.72 -1.94 0.26 -4.57 119.30 118.72 2pkr s MET 300 Ca 0.01 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 2pkr s MET 300 Cb -0.13 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.07 2pkr s MET 300 CO -0.04 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.84 2pkr n GLY 301 N 2.82 0.00 4.49 -0.03 0.00 -1.26 -1.40 105.19 109.82 2pkr n GLY 301 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2pkr n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 302 N -1.74 0.00 0.00 1.61 8.00 -1.26 -4.50 116.55 118.65 2pkr n ASP 302 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2pkr n ASP 302 Cb 0.68 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2pkr n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pkr n ASP 303 N 0.00 0.22 -4.30 -2.24 5.68 -1.15 -1.07 116.55 113.69 2pkr n ASP 303 Ca 0.00 -1.06 -0.43 0.00 -0.50 0.00 0.00 54.79 52.80 2pkr n ASP 303 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2pkr n ASP 303 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 2pkr s MET 304 N -0.06 2.79 -0.19 0.11 1.75 -0.49 -0.53 119.30 122.68 2pkr s MET 304 Ca 0.00 -1.56 -0.10 0.00 -1.25 0.00 0.00 55.69 52.78 2pkr s MET 304 Cb 0.00 -4.05 -0.05 0.00 2.84 0.00 0.00 34.83 33.57 2pkr s MET 304 CO 0.00 -1.13 0.15 0.08 -0.65 0.00 0.00 175.02 173.48 2pkr s VAL 305 N 1.52 5.41 -0.15 10.11 1.01 0.75 -0.57 120.40 138.47 2pkr s VAL 305 Ca 0.04 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2pkr s VAL 305 Cb -0.26 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2pkr s VAL 305 CO 0.03 0.45 -0.18 -0.75 0.00 0.00 0.00 175.10 174.65 2pkr s LYS 306 N 0.22 3.14 -0.04 2.72 2.20 0.32 -1.13 119.74 127.17 2pkr s LYS 306 Ca 0.10 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2pkr s LYS 306 Cb -0.11 -2.55 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2pkr s LYS 306 CO -0.01 0.00 -0.17 0.08 -0.36 0.00 0.00 175.35 174.90 2pkr s VAL 307 N 0.81 1.42 -0.23 4.02 1.01 0.39 -2.07 120.40 125.75 2pkr s VAL 307 Ca -0.06 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2pkr s VAL 307 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2pkr s VAL 307 CO -0.01 0.41 -0.04 -0.63 0.00 0.00 0.00 175.10 174.83 2pkr s ILE 308 N 0.07 3.29 -0.07 2.22 -1.09 -1.26 -1.13 121.20 123.24 2pkr s ILE 308 Ca -0.05 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 2pkr s ILE 308 Cb -0.12 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.22 2pkr s ILE 308 CO 0.02 0.35 -0.16 0.00 -1.23 0.00 0.00 174.94 173.93 2pkr s ALA 309 N 1.45 1.50 0.28 9.38 0.00 -0.27 -0.44 121.76 133.65 2pkr s ALA 309 Ca 0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 2pkr s ALA 309 Cb -0.15 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.29 2pkr s ALA 309 CO -0.03 0.18 0.61 -1.58 0.00 0.00 0.00 175.76 174.93 2pkr s TRP 310 N 0.50 3.43 -0.27 0.00 0.52 0.13 -0.60 118.94 122.64 2pkr s TRP 310 Ca -0.14 0.92 -0.18 0.00 0.02 0.00 0.00 56.10 56.73 2pkr s TRP 310 Cb -0.16 -2.31 0.07 0.00 -1.15 0.00 0.00 33.47 29.93 2pkr s TRP 310 CO 0.05 0.18 0.67 1.52 0.02 0.00 0.00 176.95 179.39 2pkr s TYR 311 N -1.95 -0.95 -0.65 -1.98 1.13 -0.17 -1.59 117.35 111.18 2pkr s TYR 311 Ca 0.49 2.00 -0.27 0.00 -1.41 0.00 0.00 57.07 57.87 2pkr s TYR 311 Cb -0.11 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 2pkr s TYR 311 CO 0.23 -0.47 1.32 0.34 -2.51 0.00 0.00 175.55 174.46 2pkr s ASP 312 N 1.27 6.18 0.57 -0.18 -1.08 -1.26 -0.46 116.67 121.71 2pkr s ASP 312 Ca -0.07 -0.09 0.32 0.00 -0.52 0.00 0.00 52.55 52.18 2pkr s ASP 312 Cb -0.05 -2.55 1.73 0.00 -1.46 0.00 0.00 42.92 40.58 2pkr s ASP 312 CO -0.14 -1.75 2.17 -0.55 0.52 0.00 0.00 175.17 175.43 2pkr h ASN 313 N 10.41 0.00 0.00 -0.34 -1.07 -1.91 -1.11 115.58 121.55 2pkr h ASN 313 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 2pkr h ASN 313 Cb 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2pkr h ASN 313 CO 1.23 0.06 -0.42 -0.62 0.07 0.00 0.00 177.43 177.75 2pkr n GLU 314 N -3.55 0.34 -0.03 4.14 1.02 -1.26 -4.12 120.64 117.18 2pkr n GLU 314 Ca -0.02 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 2pkr n GLU 314 Cb 0.17 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 2pkr n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2pkr h TRP 315 N -0.75 0.22 -0.84 -0.32 2.91 -1.94 -1.89 115.95 113.34 2pkr h TRP 315 Ca 0.00 -0.07 0.01 0.00 1.13 0.00 0.00 58.89 59.97 2pkr h TRP 315 Cb 0.42 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 2pkr h TRP 315 CO -0.18 0.62 0.56 0.78 -1.03 0.00 0.00 178.44 179.19 2pkr h GLY 316 N -0.25 1.19 1.02 2.65 0.00 -1.35 0.07 103.07 106.41 2pkr h GLY 316 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2pkr h GLY 316 CO 0.02 0.42 -0.11 -1.82 0.00 0.00 0.00 176.54 175.05 2pkr h TYR 317 N 1.13 0.97 -0.71 5.60 3.20 -1.61 -2.83 116.97 122.72 2pkr h TYR 317 Ca 0.31 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2pkr h TYR 317 Cb -0.11 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.88 2pkr h TYR 317 CO -0.01 0.97 0.39 0.77 -1.64 0.00 0.00 178.16 178.63 2pkr h SER 318 N 0.70 0.88 0.06 -2.11 0.02 -0.54 0.87 113.55 113.43 2pkr h SER 318 Ca 0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2pkr h SER 318 Cb 0.65 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2pkr h SER 318 CO 0.04 0.71 -0.09 1.56 -1.14 0.00 0.00 176.83 177.92 2pkr h GLN 319 N 0.99 0.09 -0.03 3.45 1.08 -0.80 -1.19 115.11 118.69 2pkr h GLN 319 Ca 0.25 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.25 2pkr h GLN 319 Cb 0.03 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2pkr h GLN 319 CO -0.04 0.19 -0.80 0.00 -0.95 0.00 0.00 178.83 177.22 2pkr h ARG 320 N 0.09 0.31 -0.43 1.46 2.47 -0.65 -1.58 114.38 116.05 2pkr h ARG 320 Ca 0.02 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 2pkr h ARG 320 Cb 0.22 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2pkr h ARG 320 CO 0.01 0.96 0.22 0.28 0.56 0.00 0.00 179.97 182.01 2pkr h VAL 321 N 0.20 1.17 -0.35 2.04 2.07 -0.35 0.18 116.25 121.20 2pkr h VAL 321 Ca -0.04 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2pkr h VAL 321 Cb 1.40 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2pkr h VAL 321 CO 0.13 0.18 0.23 0.58 0.02 0.00 0.00 177.57 178.71 2pkr h VAL 322 N 0.56 1.09 -0.62 2.57 2.07 -1.15 0.75 116.25 121.52 2pkr h VAL 322 Ca 0.15 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2pkr h VAL 322 Cb 0.08 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2pkr h VAL 322 CO -0.02 0.09 0.31 0.44 0.02 0.00 0.00 177.57 178.41 2pkr h ASP 323 N 0.47 0.42 -0.38 0.57 3.32 -0.77 0.23 116.42 120.29 2pkr h ASP 323 Ca 0.13 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 2pkr h ASP 323 Cb -0.05 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pkr h ASP 323 CO -0.03 0.26 -0.21 0.25 -1.72 0.00 0.00 179.24 177.80 2pkr h LEU 324 N 0.56 0.88 -0.69 1.55 5.85 -0.21 -2.11 115.31 121.14 2pkr h LEU 324 Ca 0.29 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2pkr h LEU 324 Cb 0.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pkr h LEU 324 CO -0.22 1.06 0.34 0.00 -0.34 0.00 0.00 178.44 179.28 2pkr h ALA 325 N 1.01 0.88 -0.97 1.25 0.00 -0.03 -1.64 119.26 119.76 2pkr h ALA 325 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pkr h ALA 325 Cb 0.74 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2pkr h ALA 325 CO 0.06 0.43 0.62 -0.44 0.00 0.00 0.00 179.25 179.92 2pkr h ASP 326 N 0.95 1.13 -0.44 0.00 3.32 -0.34 -1.22 116.42 119.81 2pkr h ASP 326 Ca 0.24 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2pkr h ASP 326 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2pkr h ASP 326 CO -0.03 0.83 0.01 0.40 -1.72 0.00 0.00 179.24 178.74 2pkr h ILE 327 N 1.32 1.25 -0.68 0.35 2.04 -0.69 -0.66 117.51 120.43 2pkr h ILE 327 Ca 0.35 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2pkr h ILE 327 Cb -0.12 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2pkr h ILE 327 CO -0.07 0.36 0.40 0.58 0.00 0.00 0.00 178.15 179.42 2pkr h VAL 328 N 0.78 1.20 -0.49 1.67 2.07 -0.38 -1.58 116.25 119.53 2pkr h VAL 328 Ca 0.15 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2pkr h VAL 328 Cb 0.45 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2pkr h VAL 328 CO 0.02 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 2pkr h ALA 329 N 1.21 0.68 0.00 1.67 0.00 -0.83 -2.52 119.26 119.47 2pkr h ALA 329 Ca 0.24 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2pkr h ALA 329 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2pkr h ALA 329 CO -0.04 0.65 -0.30 -0.91 0.00 0.00 0.00 179.25 178.64 2pkr h ASN 330 N 0.85 0.00 -0.53 0.00 -0.26 -0.87 -3.05 115.58 111.72 2pkr h ASN 330 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2pkr h ASN 330 Cb 0.76 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2pkr h ASN 330 CO 0.06 0.30 0.00 0.29 -1.06 0.00 0.00 177.43 177.02 2pkr n LYS 331 N -3.62 2.84 -1.93 0.81 4.76 -0.62 -5.02 118.16 115.39 2pkr n LYS 331 Ca -0.01 -2.36 -0.39 0.00 -2.87 0.00 0.00 58.31 52.68 2pkr n LYS 331 Cb 0.43 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.20 2pkr n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2pkr s TRP 332 N -1.05 2.56 -0.14 2.13 -0.11 -0.96 -4.56 118.94 116.81 2pkr s TRP 332 Ca 0.36 1.37 0.00 0.00 1.22 0.00 0.00 56.10 59.05 2pkr s TRP 332 Cb 0.19 -3.74 0.02 0.00 -1.50 0.00 0.00 33.47 28.44 2pkr s TRP 332 CO 0.24 -2.50 -0.13 -0.65 -4.62 0.00 0.00 176.95 169.29 2pkr s GLN 333 N -2.56 2.16 0.00 5.86 -0.21 -1.26 -5.08 119.66 118.57 2pkr s GLN 333 Ca 0.63 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2pkr s GLN 333 Cb -0.39 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.61 2pkr s GLN 333 CO 0.49 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.83