#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr n LEU 1 N 0.00 3.72 -4.62 3.14 7.94 0.16 -4.83 117.00 122.50 2pkr n LEU 1 Ca 0.00 0.99 -0.43 0.00 -1.11 0.00 0.00 56.01 55.46 2pkr n LEU 1 Cb 0.00 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 42.46 2pkr n LEU 1 CO 0.00 0.03 0.97 -0.54 -1.11 0.00 0.00 177.39 176.74 2pkr s LYS 2 N 2.92 3.94 -0.07 1.96 1.02 -1.26 -0.68 119.74 127.57 2pkr s LYS 2 Ca 0.85 0.89 0.01 0.00 0.02 0.00 0.00 55.97 57.74 2pkr s LYS 2 Cb -0.57 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 32.92 2pkr s LYS 2 CO 0.42 -1.06 -0.09 0.08 -0.92 0.00 0.00 175.35 173.78 2pkr s VAL 3 N 3.91 3.55 -0.00 3.17 1.01 0.84 -0.93 120.40 131.94 2pkr s VAL 3 Ca 0.46 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2pkr s VAL 3 Cb -0.10 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2pkr s VAL 3 CO 0.21 0.59 -0.25 0.00 0.00 0.00 0.00 175.10 175.65 2pkr s ALA 4 N -0.67 2.05 -0.24 5.51 0.00 -0.18 -1.49 121.76 126.75 2pkr s ALA 4 Ca 0.10 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2pkr s ALA 4 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2pkr s ALA 4 CO 0.02 0.50 0.08 0.42 0.00 0.00 0.00 175.76 176.78 2pkr s ILE 5 N -0.64 4.53 -0.34 0.00 1.01 -0.19 -0.53 121.20 125.05 2pkr s ILE 5 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 2pkr s ILE 5 Cb -0.09 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.29 2pkr s ILE 5 CO -0.00 0.35 0.12 0.21 0.00 0.00 0.00 174.94 175.62 2pkr s ASN 6 N 1.39 5.37 0.00 3.58 2.47 -0.36 -0.16 114.94 127.23 2pkr s ASN 6 Ca 0.06 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.34 2pkr s ASN 6 Cb -0.15 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 2pkr s ASN 6 CO 0.04 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 2pkr n GLY 7 N 4.87 -0.50 2.44 1.21 0.00 -0.86 -1.00 105.19 111.34 2pkr n GLY 7 Ca -0.13 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 0.38 1.94 -1.25 1.61 7.35 -1.25 -4.13 117.46 122.11 2pkr n PHE 8 Ca 0.00 -2.34 0.00 0.00 -0.76 0.00 0.00 57.45 54.35 2pkr n PHE 8 Cb 0.00 -1.66 0.00 0.00 0.35 0.00 0.00 39.48 38.17 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 1.52 1.54 0.23 7.13 0.00 -1.26 -4.52 105.19 109.83 2pkr n GLY 9 Ca 0.56 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.02 -0.06 1.61 2.47 -1.93 0.60 114.38 117.04 2pkr h ARG 10 Ca 0.00 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.50 2pkr h ARG 10 Cb 0.00 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2pkr h ARG 10 CO 0.00 -0.01 -0.87 0.82 0.56 0.00 0.00 179.97 180.47 2pkr h ILE 11 N -0.02 1.33 -0.49 2.04 1.08 -1.91 -1.26 117.51 118.27 2pkr h ILE 11 Ca 0.26 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 2pkr h ILE 11 Cb 0.41 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 2pkr h ILE 11 CO -0.56 0.67 0.31 1.23 -0.69 0.00 0.00 178.15 179.11 2pkr h GLY 12 N 0.87 0.71 1.52 5.37 0.00 -1.47 0.13 103.07 110.20 2pkr h GLY 12 Ca -0.07 -0.28 -0.21 0.00 0.00 0.00 0.00 47.33 46.77 2pkr h GLY 12 CO 0.16 0.27 -0.85 3.21 0.00 0.00 0.00 176.54 179.33 2pkr h ARG 13 N 0.66 0.45 -0.69 4.80 3.08 0.15 -2.57 114.38 120.26 2pkr h ARG 13 Ca 0.18 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 2pkr h ARG 13 Cb -0.04 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2pkr h ARG 13 CO -0.04 1.07 0.16 -0.91 -1.07 0.00 0.00 179.97 179.19 2pkr h ASN 14 N 0.28 1.06 -0.16 7.04 2.35 -1.03 -1.54 115.58 123.58 2pkr h ASN 14 Ca -0.06 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2pkr h ASN 14 Cb 1.46 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 2pkr h ASN 14 CO 0.15 1.02 -0.03 0.15 -1.65 0.00 0.00 177.43 177.07 2pkr h PHE 15 N 1.05 -0.07 -0.52 1.19 3.57 -0.63 0.33 116.94 121.86 2pkr h PHE 15 Ca 0.22 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2pkr h PHE 15 Cb 0.38 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2pkr h PHE 15 CO 0.03 -0.06 0.32 1.25 -2.23 0.00 0.00 178.31 177.62 2pkr h LEU 16 N 0.01 0.62 -0.87 0.59 6.46 -1.21 0.14 115.31 121.05 2pkr h LEU 16 Ca 0.07 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.67 2pkr h LEU 16 Cb 0.11 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2pkr h LEU 16 CO -0.15 0.49 -0.44 0.03 -0.62 0.00 0.00 178.44 177.75 2pkr h ARG 17 N 0.70 0.27 -0.32 1.25 3.08 -0.92 0.26 114.38 118.71 2pkr h ARG 17 Ca 0.19 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2pkr h ARG 17 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2pkr h ARG 17 CO -0.04 0.67 -0.09 0.00 -1.07 0.00 0.00 179.97 179.44 2pkr h TRP 18 N 0.40 0.48 -0.65 0.00 7.01 -0.40 -2.34 115.95 120.45 2pkr h TRP 18 Ca 0.08 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.23 2pkr h TRP 18 Cb 0.59 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 2pkr h TRP 18 CO 0.05 0.33 0.44 1.25 -2.79 0.00 0.00 178.44 177.73 2pkr h HIS 18 N 0.50 0.27 -0.00 2.65 2.76 -0.36 -1.57 115.15 119.39 2pkr h HIS 18 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2pkr h HIS 18 Cb -0.02 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.85 2pkr h HIS 18 CO -0.04 0.11 -0.19 0.41 -1.30 0.00 0.00 177.93 176.91 2pkr n GLY 19 N -1.58 -1.36 3.80 5.26 0.00 -0.89 -4.89 105.19 105.54 2pkr n GLY 19 Ca 0.12 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.94 4.11 -0.05 1.61 1.81 -0.59 -5.06 118.95 117.83 2pkr s ARG 20 Ca 0.15 1.31 -0.04 0.00 -1.72 0.00 0.00 55.73 55.43 2pkr s ARG 20 Cb 0.19 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2pkr s ARG 20 CO 0.59 -0.16 0.16 0.15 -0.68 0.00 0.00 175.30 175.36 2pkr s LYS 21 N -2.92 3.41 -1.12 3.54 1.02 -1.26 -4.56 119.74 117.85 2pkr s LYS 21 Ca 0.62 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 56.10 2pkr s LYS 21 Cb -0.15 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2pkr s LYS 21 CO 0.20 0.71 0.71 -0.25 -0.92 0.00 0.00 175.35 175.80 2pkr n ASP 22 N 1.36 -4.76 -4.75 2.83 8.00 -1.26 -4.91 116.55 113.06 2pkr n ASP 22 Ca -0.14 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 53.83 2pkr n ASP 22 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 41.12 39.23 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 -3.41 7.61 0.00 -2.24 0.15 -1.26 -4.93 113.70 109.61 2pkr s SER 23 Ca 0.41 1.90 0.22 0.00 0.70 0.00 0.00 55.95 59.18 2pkr s SER 23 Cb -0.19 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.49 2pkr s SER 23 CO 0.92 0.14 1.67 -0.81 1.20 0.00 0.00 173.24 176.36 2pkr n PRO 24 N 1.63 1.43 -4.25 5.44 -0.04 -1.26 -3.83 135.00 134.13 2pkr n PRO 24 Ca -0.02 -0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 62.45 2pkr n PRO 24 Cb 0.47 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.65 3.68 -0.27 1.53 1.43 -1.26 0.46 118.68 122.60 2pkr s LEU 25 Ca 0.32 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2pkr s LEU 25 Cb 0.17 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.45 2pkr s LEU 25 CO 0.26 0.32 0.05 -0.62 0.23 0.00 0.00 176.35 176.59 2pkr s ASP 26 N -1.33 3.79 -0.57 2.29 2.15 0.14 -4.05 116.67 119.10 2pkr s ASP 26 Ca 0.18 -1.38 -0.27 0.00 0.43 0.00 0.00 52.55 51.51 2pkr s ASP 26 Cb -0.12 -0.93 0.03 0.00 -0.30 0.00 0.00 42.92 41.61 2pkr s ASP 26 CO 0.08 -0.35 1.09 -0.69 -0.17 0.00 0.00 175.17 175.13 2pkr s VAL 27 N 1.57 4.17 -0.54 1.11 1.01 -1.26 -0.12 120.40 126.34 2pkr s VAL 27 Ca 0.04 0.65 0.18 0.00 0.00 0.00 0.00 61.98 62.85 2pkr s VAL 27 Cb -0.18 -4.65 -0.23 0.00 0.00 0.00 0.00 36.38 31.32 2pkr s VAL 27 CO -0.16 -1.25 0.64 1.33 0.00 0.00 0.00 175.10 175.66 2pkr n VAL 28 N 6.47 0.00 -3.61 2.92 0.24 -0.56 -4.82 118.33 118.98 2pkr n VAL 28 Ca 0.06 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 2pkr n VAL 28 Cb 0.48 0.65 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.94 0.02 -0.06 3.34 0.11 -1.22 -0.94 120.40 118.71 2pkr s VAL 29 Ca 0.02 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2pkr s VAL 29 Cb 0.13 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2pkr s VAL 29 CO 0.76 -0.11 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.71 2pkr s ILE 30 N -1.47 0.87 -0.55 7.04 1.01 0.12 -1.02 121.20 127.21 2pkr s ILE 30 Ca -0.11 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 2pkr s ILE 30 Cb -0.02 -0.84 0.11 0.00 0.01 0.00 0.00 42.46 41.72 2pkr s ILE 30 CO 0.06 0.30 0.58 0.21 0.00 0.00 0.00 174.94 176.09 2pkr s ASN 31 N 0.88 6.19 -0.33 3.58 2.47 0.77 -0.94 114.94 127.55 2pkr s ASN 31 Ca -0.11 -1.54 0.01 0.00 0.42 0.00 0.00 52.86 51.64 2pkr s ASN 31 Cb -0.15 -2.25 0.08 0.00 -1.45 0.00 0.00 41.25 37.49 2pkr s ASN 31 CO 0.01 -0.94 0.03 -0.62 -3.72 0.00 0.00 177.10 171.87 2pkr s ASP 32 N 3.44 4.81 0.33 -4.21 -1.08 -0.06 -2.02 116.67 117.87 2pkr s ASP 32 Ca 0.07 -1.79 0.23 0.00 -0.52 0.00 0.00 52.55 50.54 2pkr s ASP 32 Cb -0.26 -1.66 1.20 0.00 -1.46 0.00 0.00 42.92 40.73 2pkr s ASP 32 CO 0.05 -0.34 1.69 0.35 0.52 0.00 0.00 175.17 177.44 2pkr n THR 33 N 4.43 0.99 0.70 1.71 -2.24 -1.26 -1.90 114.28 116.70 2pkr n THR 33 Ca -0.05 0.70 0.13 0.00 -2.27 0.00 0.00 64.05 62.57 2pkr n THR 33 Cb 0.42 -1.70 0.40 0.00 -2.10 0.00 0.00 70.33 67.36 2pkr n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkr n GLY 34 N -1.18 -1.62 0.00 3.38 0.00 -1.26 -4.97 105.19 99.54 2pkr n GLY 34 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2pkr n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkr n GLY 36 N 1.35 1.74 0.06 -0.02 0.00 -0.80 -4.47 105.19 103.05 2pkr n GLY 36 Ca 0.05 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 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 1.19 -0.31 1.61 2.07 -1.88 -1.91 116.25 117.02 2pkr h VAL 37 Ca 0.00 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2pkr h VAL 37 Cb 0.00 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2pkr h VAL 37 CO 0.00 0.15 0.13 0.11 0.02 0.00 0.00 177.57 177.97 2pkr h LYS 38 N -0.17 0.26 -0.94 1.57 1.79 -1.94 -0.85 116.57 116.30 2pkr h LYS 38 Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2pkr h LYS 38 Cb 0.23 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 2pkr h LYS 38 CO 0.00 0.18 0.59 0.37 -1.08 0.00 0.00 179.45 179.50 2pkr h GLN 39 N 0.27 1.26 -0.27 3.15 4.15 -1.77 -0.90 115.11 121.00 2pkr h GLN 39 Ca 0.14 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2pkr h GLN 39 Cb 0.09 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2pkr h GLN 39 CO -0.12 0.87 -0.01 0.00 -1.93 0.00 0.00 178.83 177.64 2pkr h ALA 40 N 1.32 0.36 -0.15 3.38 0.00 -0.72 -1.63 119.26 121.83 2pkr h ALA 40 Ca 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 40 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pkr h ALA 40 CO -0.07 0.11 0.08 1.03 0.00 0.00 0.00 179.25 180.40 2pkr h SER 41 N 0.26 0.18 0.07 0.00 0.87 -0.95 -2.08 113.55 111.90 2pkr h SER 41 Ca 0.08 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pkr h SER 41 Cb 0.43 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2pkr h SER 41 CO 0.01 0.20 -0.04 -0.74 -0.53 0.00 0.00 176.83 175.74 2pkr h HIS 42 N 0.15 -0.09 0.00 2.24 6.17 -1.09 -1.72 115.15 120.80 2pkr h HIS 42 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2pkr h HIS 42 Cb 0.06 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.02 2pkr h HIS 42 CO -0.04 0.02 0.00 -0.07 0.71 0.00 0.00 177.93 178.55 2pkr h LEU 43 N -0.18 0.00 0.18 0.26 3.38 -1.34 0.90 115.31 118.51 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 0.15 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.93 2pkr h LEU 43 CO 0.02 0.00 -1.36 0.25 0.09 0.00 0.00 178.44 177.44 2pkr h LEU 44 N 0.00 0.79 -0.07 1.67 5.85 -1.12 -3.36 115.31 119.08 2pkr h LEU 44 Ca 0.00 -0.80 -0.05 0.00 0.84 0.00 0.00 57.88 57.87 2pkr h LEU 44 Cb 0.58 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2pkr h LEU 44 CO 0.00 1.61 -0.15 0.50 -0.34 0.00 0.00 178.44 180.07 2pkr h LYS 45 N 0.18 0.21 -4.92 1.25 1.63 -0.86 -3.41 116.57 110.65 2pkr h LYS 45 Ca -0.21 -0.14 -0.66 0.00 -0.85 0.00 0.00 60.65 58.78 2pkr h LYS 45 Cb 2.05 0.02 -0.27 0.00 -0.60 0.00 0.00 32.23 33.43 2pkr h LYS 45 CO 0.25 0.74 -0.68 0.71 -3.45 0.00 0.00 179.45 177.02 2pkr s TYR 46 N -3.91 3.05 -0.17 1.91 2.02 0.27 -0.44 117.35 120.07 2pkr s TYR 46 Ca -0.15 -0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 55.60 2pkr s TYR 46 Cb 0.03 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2pkr s TYR 46 CO 0.73 -0.55 -0.04 0.34 -1.57 0.00 0.00 175.55 174.46 2pkr s ASP 47 N 1.49 2.87 0.65 2.29 -1.08 -1.18 -4.53 116.67 117.18 2pkr s ASP 47 Ca 0.04 -0.70 0.26 0.00 -0.52 0.00 0.00 52.55 51.63 2pkr s ASP 47 Cb -0.16 -0.88 1.36 0.00 -1.46 0.00 0.00 42.92 41.78 2pkr s ASP 47 CO -0.01 -0.20 1.77 0.28 0.52 0.00 0.00 175.17 177.53 2pkr h SER 48 N 8.13 0.00 0.00 -0.34 0.02 -1.95 0.35 113.55 119.77 2pkr h SER 48 Ca -0.23 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.47 2pkr h SER 48 Cb 1.11 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 2pkr h SER 48 CO 0.39 0.00 -1.94 -0.38 -1.14 0.00 0.00 176.83 173.76 2pkr n ILE 49 N -3.01 0.93 0.47 3.27 5.41 -1.26 -4.66 119.36 120.52 2pkr n ILE 49 Ca 0.01 -0.32 0.12 0.00 1.00 0.00 0.00 62.75 63.56 2pkr n ILE 49 Cb 0.56 -1.26 0.12 0.00 -0.71 0.00 0.00 39.64 38.35 2pkr n ILE 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2pkr h LEU 50 N -0.17 0.00 0.00 1.39 3.38 -1.94 -3.50 115.31 114.47 2pkr h LEU 50 Ca -0.38 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2pkr h LEU 50 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2pkr h LEU 50 CO -0.11 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2pkr n GLY 51 N 1.30 -3.14 3.72 0.83 0.00 0.12 -4.89 105.19 103.14 2pkr n GLY 51 Ca 0.03 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.86 3.84 -0.03 2.61 2.01 -1.26 -3.08 115.64 118.86 2pkr s THR 52 Ca 0.00 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.09 2pkr s THR 52 Cb 0.00 -3.89 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 2pkr s THR 52 CO 0.00 0.14 1.86 0.12 -0.69 0.00 0.00 174.62 176.05 2pkr s PHE 53 N 0.74 1.55 -1.21 4.92 5.36 0.41 -4.88 117.98 124.87 2pkr s PHE 53 Ca 0.57 -0.09 -0.17 0.00 -0.96 0.00 0.00 56.93 56.28 2pkr s PHE 53 Cb -0.31 -4.09 -0.03 0.00 -0.34 0.00 0.00 43.02 38.25 2pkr s PHE 53 CO 0.31 -4.70 2.07 -3.47 -1.46 0.00 0.00 175.22 167.97 2pkr n ASP 54 N 7.85 3.49 -3.48 6.13 2.03 -1.26 -4.79 116.55 126.52 2pkr n ASP 54 Ca 0.20 -2.79 -0.11 0.00 0.52 0.00 0.00 54.79 52.61 2pkr n ASP 54 Cb 0.42 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 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 4.29 -1.75 -0.45 -1.67 0.00 -1.26 -5.11 121.76 115.82 2pkr s ALA 55 Ca 0.52 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 2pkr s ALA 55 Cb 0.12 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2pkr s ALA 55 CO 0.01 -0.64 1.17 -0.51 0.00 0.00 0.00 175.76 175.78 2pkr s ASP 56 N -2.28 6.64 -0.16 0.00 1.01 -1.26 -4.88 116.67 115.74 2pkr s ASP 56 Ca 0.01 0.59 0.01 0.00 0.71 0.00 0.00 52.55 53.88 2pkr s ASP 56 Cb -0.01 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2pkr s ASP 56 CO -0.07 -1.23 -0.19 -0.69 0.21 0.00 0.00 175.17 173.20 2pkr s VAL 57 N 4.47 2.24 0.21 -1.27 1.01 -1.26 0.25 120.40 126.05 2pkr s VAL 57 Ca 0.49 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2pkr s VAL 57 Cb -0.09 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2pkr s VAL 57 CO 0.30 0.53 0.41 -1.59 0.00 0.00 0.00 175.10 174.75 2pkr s LYS 58 N 0.99 1.38 0.35 2.72 -2.85 -0.96 -5.00 119.74 116.37 2pkr s LYS 58 Ca -0.03 -1.16 -0.15 0.00 -1.00 0.00 0.00 55.97 53.63 2pkr s LYS 58 Cb -0.15 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 2pkr s LYS 58 CO -0.05 -0.55 0.77 0.95 0.10 0.00 0.00 175.35 176.57 2pkr s THR 59 N -3.98 4.66 -0.46 3.79 -4.23 -1.26 -1.20 115.64 112.96 2pkr s THR 59 Ca 0.19 0.97 0.03 0.00 -1.18 0.00 0.00 61.69 61.69 2pkr s THR 59 Cb 0.01 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.36 2pkr s THR 59 CO 0.04 -0.27 0.26 0.00 -0.54 0.00 0.00 174.62 174.12 2pkr s ALA 60 N -2.08 2.31 0.00 3.99 0.00 0.36 -4.77 121.76 121.56 2pkr s ALA 60 Ca 0.55 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2pkr s ALA 60 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2pkr s ALA 60 CO 0.19 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.31 2pkr n GLY 60 N 3.37 -1.09 0.33 0.00 0.00 -1.26 -3.33 105.19 103.21 2pkr n GLY 60 Ca 0.10 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.93 2pkr n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 61 N 0.35 1.40 -2.12 1.61 -0.08 -1.26 -4.55 116.55 111.90 2pkr n ASP 61 Ca 0.00 -1.12 -0.01 0.00 -1.51 0.00 0.00 54.79 52.15 2pkr n ASP 61 Cb 0.00 0.29 0.04 0.00 2.34 0.00 0.00 41.12 43.79 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pkr n SER 62 N -0.45 0.19 -3.72 1.67 3.41 -1.26 -4.83 113.62 108.64 2pkr n SER 62 Ca 0.11 -2.06 -0.05 0.00 -0.26 0.00 0.00 58.87 56.61 2pkr n SER 62 Cb 0.39 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2pkr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pkr s ALA 63 N -1.18 -1.62 0.15 7.33 0.00 -1.21 -1.03 121.76 124.20 2pkr s ALA 63 Ca 0.19 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2pkr s ALA 63 Cb 0.31 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 2pkr s ALA 63 CO -0.09 -0.98 -0.06 0.96 0.00 0.00 0.00 175.76 175.59 2pkr s ILE 64 N -3.37 0.96 0.00 0.00 -4.36 -0.16 -0.49 121.20 113.79 2pkr s ILE 64 Ca 0.10 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 2pkr s ILE 64 Cb -0.02 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 2pkr s ILE 64 CO 0.01 -0.68 -0.17 -0.94 0.24 0.00 0.00 174.94 173.39 2pkr s SER 65 N -3.16 2.02 -0.29 4.36 1.04 -0.34 0.58 113.70 117.91 2pkr s SER 65 Ca 0.18 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2pkr s SER 65 Cb 0.04 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.04 2pkr s SER 65 CO 0.01 0.17 0.03 -0.69 0.98 0.00 0.00 173.24 173.74 2pkr s VAL 66 N -0.53 1.49 -1.38 5.02 1.01 -0.44 -2.27 120.40 123.31 2pkr s VAL 66 Ca 0.06 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.39 2pkr s VAL 66 Cb -0.07 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2pkr s VAL 66 CO 0.00 -0.43 1.06 0.47 0.00 0.00 0.00 175.10 176.21 2pkr n ASP 67 N 4.62 -4.90 0.00 3.32 8.00 0.14 -2.23 116.55 125.51 2pkr n ASP 67 Ca -0.04 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2pkr n ASP 67 Cb 0.43 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 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 -1.77 3.12 3.64 0.44 0.00 -1.26 -5.00 105.19 104.36 2pkr n GLY 68 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.38 4.10 0.12 1.61 2.20 -0.95 -4.99 119.74 121.45 2pkr s LYS 69 Ca 0.00 1.26 -0.27 0.00 -0.36 0.00 0.00 55.97 56.60 2pkr s LYS 69 Cb 0.00 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.50 2pkr s LYS 69 CO 0.00 -0.86 0.83 0.08 -0.36 0.00 0.00 175.35 175.04 2pkr s VAL 70 N 3.68 4.50 -0.11 4.02 1.01 -1.26 -1.32 120.40 130.91 2pkr s VAL 70 Ca 0.49 1.80 0.02 0.00 0.00 0.00 0.00 61.98 64.29 2pkr s VAL 70 Cb -0.15 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2pkr s VAL 70 CO 0.15 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 2pkr s ILE 71 N -0.49 1.68 0.45 2.22 1.01 0.20 -4.92 121.20 121.35 2pkr s ILE 71 Ca 0.40 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 2pkr s ILE 71 Cb -0.22 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.66 2pkr s ILE 71 CO 0.26 0.48 1.19 -0.75 0.00 0.00 0.00 174.94 176.12 2pkr s LYS 72 N 0.84 3.80 -0.14 2.79 2.47 -0.12 -0.98 119.74 128.40 2pkr s LYS 72 Ca -0.09 1.86 -0.01 0.00 -1.56 0.00 0.00 55.97 56.18 2pkr s LYS 72 Cb -0.15 -2.49 0.03 0.00 -1.46 0.00 0.00 37.83 33.76 2pkr s LYS 72 CO -0.00 -0.54 -0.06 0.08 0.16 0.00 0.00 175.35 174.98 2pkr s VAL 73 N -1.47 1.04 0.44 4.02 1.01 -0.20 0.12 120.40 125.36 2pkr s VAL 73 Ca 0.62 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.23 2pkr s VAL 73 Cb -0.31 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2pkr s VAL 73 CO 0.38 0.26 0.15 0.68 0.00 0.00 0.00 175.10 176.56 2pkr s VAL 74 N 1.68 2.02 -0.27 2.92 -7.23 -0.12 -4.53 120.40 114.88 2pkr s VAL 74 Ca 0.03 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2pkr s VAL 74 Cb -0.14 -2.79 0.13 0.00 0.56 0.00 0.00 36.38 34.15 2pkr s VAL 74 CO -0.08 0.00 0.31 -0.55 -0.31 0.00 0.00 175.10 174.47 2pkr s SER 75 N -3.91 1.18 -0.21 4.85 0.15 -1.26 -0.88 113.70 113.62 2pkr s SER 75 Ca 0.34 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 2pkr s SER 75 Cb 0.04 0.68 0.07 0.00 -1.71 0.00 0.00 66.02 65.10 2pkr s SER 75 CO 0.19 -0.36 0.51 -0.62 1.20 0.00 0.00 173.24 174.16 2pkr s ASP 76 N 2.41 -0.65 0.35 5.45 -1.08 -1.26 -4.96 116.67 116.94 2pkr s ASP 76 Ca 0.10 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 53.52 2pkr s ASP 76 Cb -0.14 1.14 0.78 0.00 -1.46 0.00 0.00 42.92 43.23 2pkr s ASP 76 CO -0.26 -0.21 1.75 0.03 0.52 0.00 0.00 175.17 177.00 2pkr h ARG 77 N 7.29 0.00 -4.33 4.34 3.08 -1.99 -3.41 114.38 119.36 2pkr h ARG 77 Ca -0.31 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.01 2pkr h ARG 77 Cb 1.18 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.98 2pkr h ARG 77 CO 0.22 0.00 -0.37 1.21 -1.07 0.00 0.00 179.97 179.96 2pkr s ASN 78 N -5.21 5.91 0.54 7.04 3.84 -1.26 -4.97 114.94 120.82 2pkr s ASN 78 Ca 0.07 -1.53 0.27 0.00 0.21 0.00 0.00 52.86 51.88 2pkr s ASN 78 Cb 0.09 -2.09 1.43 0.00 -0.55 0.00 0.00 41.25 40.13 2pkr s ASN 78 CO 0.58 -0.64 1.98 -0.65 -2.79 0.00 0.00 177.10 175.57 2pkr h PRO 79 N 8.61 0.00 0.00 0.43 0.11 -1.90 -1.29 132.00 137.95 2pkr h PRO 79 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2pkr h PRO 79 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pkr h PRO 79 CO 0.85 0.00 -0.07 -0.39 -0.21 0.00 0.00 178.00 178.18 2pkr h VAL 80 N 0.00 0.87 -0.01 3.15 -1.51 -1.94 -1.85 116.25 114.96 2pkr h VAL 80 Ca 0.27 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2pkr h VAL 80 Cb 1.11 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2pkr h VAL 80 CO -0.00 0.07 -0.06 0.59 -1.23 0.00 0.00 177.57 176.93 2pkr n ASN 81 N -4.19 0.81 -4.77 4.19 5.03 -0.49 -4.32 115.26 111.53 2pkr n ASN 81 Ca -0.03 -1.04 -0.38 0.00 0.87 0.00 0.00 54.58 54.01 2pkr n ASN 81 Cb 0.15 -0.01 -0.01 0.00 -1.02 0.00 0.00 39.78 38.89 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 -2.20 4.09 -0.02 3.41 1.43 -0.69 -4.94 118.68 119.76 2pkr s LEU 82 Ca 0.36 2.32 -0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2pkr s LEU 82 Cb 0.21 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 42.30 2pkr s LEU 82 CO 0.41 -0.80 1.83 -0.81 0.23 0.00 0.00 176.35 177.20 2pkr n PRO 83 N -0.23 1.06 -0.00 1.29 -0.04 -1.26 -4.56 135.00 131.25 2pkr n PRO 83 Ca 0.06 -0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 2pkr n PRO 83 Cb 0.47 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.86 0.09 -0.58 0.54 -0.00 -1.91 0.10 115.95 115.04 2pkr h TRP 84 Ca 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 2pkr h TRP 84 Cb 1.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 30.11 2pkr h TRP 84 CO 0.23 0.24 0.27 0.78 -0.00 0.00 0.00 178.44 179.97 2pkr h GLY 85 N -0.10 0.91 1.25 1.49 0.00 -0.85 0.40 103.07 106.17 2pkr h GLY 85 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2pkr h GLY 85 CO -0.00 0.44 0.25 -0.55 0.00 0.00 0.00 176.54 176.68 2pkr h ASP 86 N 0.80 0.88 0.84 0.19 3.32 -1.78 -2.34 116.42 118.33 2pkr h ASP 86 Ca 0.20 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2pkr h ASP 86 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2pkr h ASP 86 CO -0.02 0.79 -0.34 0.23 -1.72 0.00 0.00 179.24 178.18 2pkr n MET 87 N -4.30 0.10 -2.12 3.56 2.81 0.34 -4.95 117.12 112.57 2pkr n MET 87 Ca 0.06 0.05 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 2pkr n MET 87 Cb 0.18 -1.58 -0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.44 0.21 3.67 3.03 0.00 0.13 -4.96 105.19 108.69 2pkr n GLY 88 Ca 0.05 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.26 3.05 -0.10 -0.61 -1.09 -0.22 -4.82 121.20 115.15 2pkr s ILE 89 Ca 0.01 0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.40 2pkr s ILE 89 Cb -0.00 -3.10 -0.28 0.00 -1.58 0.00 0.00 42.46 37.50 2pkr s ILE 89 CO 0.01 -0.01 0.62 0.44 -1.23 0.00 0.00 174.94 174.77 2pkr h ASP 90 N 10.08 0.36 -3.41 3.58 3.32 -1.38 -2.62 116.42 126.34 2pkr h ASP 90 Ca -0.47 -0.86 -0.41 0.00 0.02 0.00 0.00 57.03 55.30 2pkr h ASP 90 Cb 1.22 -0.12 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 2pkr h ASP 90 CO 0.94 1.53 -0.77 -0.22 -1.72 0.00 0.00 179.24 179.01 2pkr s LEU 91 N -7.67 1.14 -0.22 1.55 2.96 -0.77 -1.21 118.68 114.45 2pkr s LEU 91 Ca -0.19 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 2pkr s LEU 91 Cb 0.03 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 2pkr s LEU 91 CO 0.77 -0.09 0.09 -0.69 -1.32 0.00 0.00 176.35 175.11 2pkr s VAL 92 N 1.18 4.80 -0.55 1.68 1.01 0.24 -1.01 120.40 127.76 2pkr s VAL 92 Ca -0.07 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2pkr s VAL 92 Cb -0.14 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.08 2pkr s VAL 92 CO -0.01 0.39 0.88 -0.63 0.00 0.00 0.00 175.10 175.72 2pkr s ILE 93 N 0.97 4.49 -0.64 2.22 -1.09 0.31 -0.71 121.20 126.75 2pkr s ILE 93 Ca 0.05 0.07 -0.24 0.00 -2.23 0.00 0.00 60.65 58.30 2pkr s ILE 93 Cb -0.14 -4.50 0.05 0.00 -1.58 0.00 0.00 42.46 36.30 2pkr s ILE 93 CO 0.03 -1.07 1.04 -0.70 -1.23 0.00 0.00 174.94 173.02 2pkr s GLU 94 N 3.67 3.22 -0.16 2.79 -6.30 0.46 -1.22 118.70 121.17 2pkr s GLU 94 Ca 0.27 -0.45 0.14 0.00 -2.50 0.00 0.00 54.97 52.42 2pkr s GLU 94 Cb -0.14 -4.15 0.36 0.00 0.00 0.00 0.00 34.13 30.20 2pkr s GLU 94 CO 0.17 -1.78 1.18 0.41 0.02 0.00 0.00 175.26 175.26 2pkr n GLY 95 N 5.26 4.43 0.13 -1.50 0.00 -0.17 -0.45 105.19 112.88 2pkr n GLY 95 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 1.61 0.31 0.00 2.61 1.35 -1.79 -3.43 112.91 113.57 2pkr h THR 96 Ca -0.02 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 2pkr h THR 96 Cb 1.11 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2pkr h THR 96 CO 0.01 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2pkr n GLY 97 N 1.24 0.80 0.00 5.82 0.00 -1.26 -4.85 105.19 106.94 2pkr n GLY 97 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.32 0.00 -3.18 1.61 0.24 -1.26 -4.74 118.33 108.68 2pkr n VAL 98 Ca 0.00 -0.38 -0.28 0.00 -2.04 0.00 0.00 64.34 61.64 2pkr n VAL 98 Cb 0.01 0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.14 3.78 0.90 6.34 3.72 -1.26 -4.87 117.46 124.94 2pkr n PHE 99 Ca 0.01 -4.00 0.11 0.00 -0.05 0.00 0.00 57.45 53.52 2pkr n PHE 99 Cb 0.07 -0.57 0.08 0.00 -0.94 0.00 0.00 39.48 38.13 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 0.35 0.00 -3.76 -4.37 0.24 -1.26 -3.51 118.33 106.02 2pkr n VAL 100 Ca 0.31 -0.49 -0.25 0.00 -2.04 0.00 0.00 64.34 61.87 2pkr n VAL 100 Cb 0.39 1.44 -0.00 0.00 -1.47 0.00 0.00 33.84 34.20 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 -1.84 4.72 0.12 -1.34 -4.77 -1.26 -0.49 116.67 111.81 2pkr s ASP 101 Ca 0.25 -1.15 -0.16 0.00 -3.30 0.00 0.00 52.55 48.18 2pkr s ASP 101 Cb 0.18 0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 42.28 2pkr s ASP 101 CO 0.29 -1.08 1.62 0.03 0.70 0.00 0.00 175.17 176.72 2pkr h ARG 102 N 0.72 0.58 -0.66 2.11 3.08 -1.94 -1.16 114.38 117.12 2pkr h ARG 102 Ca -0.36 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 2pkr h ARG 102 Cb 1.30 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 2pkr h ARG 102 CO 0.55 0.62 0.24 -0.44 -1.07 0.00 0.00 179.97 179.88 2pkr h ASP 103 N 0.44 0.90 0.22 7.04 3.32 -1.96 0.35 116.42 126.73 2pkr h ASP 103 Ca 0.11 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2pkr h ASP 103 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2pkr h ASP 103 CO 0.00 0.82 -0.10 1.23 -1.72 0.00 0.00 179.24 179.46 2pkr h GLY 104 N 1.04 -0.30 2.00 2.75 0.00 -1.87 -3.20 103.07 103.49 2pkr h GLY 104 Ca 0.22 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 2pkr h GLY 104 CO -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 176.54 176.21 2pkr h ALA 105 N -0.57 1.41 0.00 3.60 0.00 -1.25 -1.76 119.26 120.69 2pkr h ALA 105 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pkr h ALA 105 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pkr h ALA 105 CO 0.05 0.25 -0.02 0.78 0.00 0.00 0.00 179.25 180.32 2pkr h GLY 106 N 0.89 0.00 1.41 0.00 0.00 -0.34 -2.46 103.07 102.57 2pkr h GLY 106 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2pkr h GLY 106 CO 0.03 0.00 0.22 0.50 0.00 0.00 0.00 176.54 177.29 2pkr h LYS 107 N 0.00 0.00 0.00 4.80 1.57 -1.31 0.38 116.57 122.02 2pkr h LYS 107 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2pkr h LYS 107 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2pkr h LYS 107 CO 0.00 0.00 -0.50 0.45 -0.57 0.00 0.00 179.45 178.83 2pkr h HIS 108 N 0.00 0.00 -0.02 -1.35 3.86 -1.63 -0.92 115.15 115.09 2pkr h HIS 108 Ca 0.13 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.10 2pkr h HIS 108 Cb 0.57 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.05 2pkr h HIS 108 CO 0.00 0.50 -0.95 -0.07 0.86 0.00 0.00 177.93 178.27 2pkr h LEU 109 N 0.00 0.73 -1.21 2.43 3.38 -0.43 -0.25 115.31 119.96 2pkr h LEU 109 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2pkr h LEU 109 Cb 1.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2pkr h LEU 109 CO 0.06 1.36 0.49 1.56 0.09 0.00 0.00 178.44 182.01 2pkr h GLN 110 N 0.34 1.03 0.00 1.13 4.20 -0.94 -1.23 115.11 119.63 2pkr h GLN 110 Ca -0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2pkr h GLN 110 Cb 1.58 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2pkr h GLN 110 CO 0.18 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 179.03 2pkr n ALA 111 N -2.42 2.15 0.00 3.87 0.00 -0.38 -4.89 120.51 118.85 2pkr n ALA 111 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pkr n ALA 111 Cb 0.04 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.78 1.11 3.77 0.00 0.00 -0.47 -0.44 105.19 109.95 2pkr n GLY 112 Ca 0.09 0.00 -0.39 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 3.21 0.10 4.61 0.00 -0.13 -3.82 121.76 123.73 2pkr s ALA 113 Ca 0.00 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2pkr s ALA 113 Cb 0.00 -3.41 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 2pkr s ALA 113 CO 0.00 -0.59 1.23 0.87 0.00 0.00 0.00 175.76 177.27 2pkr h LYS 114 N 2.76 0.09 -3.11 0.00 1.57 -1.49 -3.37 116.57 113.02 2pkr h LYS 114 Ca -0.49 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.04 2pkr h LYS 114 Cb 1.24 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 33.42 2pkr h LYS 114 CO 0.63 1.07 -0.23 0.21 -0.57 0.00 0.00 179.45 180.55 2pkr s LYS 115 N -2.69 0.76 -0.05 3.15 2.20 -0.35 -4.87 119.74 117.89 2pkr s LYS 115 Ca -0.01 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 2pkr s LYS 115 Cb 0.09 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2pkr s LYS 115 CO 0.84 -0.23 -0.14 0.08 -0.36 0.00 0.00 175.35 175.54 2pkr s VAL 116 N -1.93 1.20 -0.33 4.02 1.01 0.25 -0.59 120.40 124.03 2pkr s VAL 116 Ca -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2pkr s VAL 116 Cb -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.36 2pkr s VAL 116 CO 0.01 0.36 0.04 -0.22 0.00 0.00 0.00 175.10 175.29 2pkr s LEU 117 N 0.40 4.39 -0.12 3.92 0.20 0.12 -0.73 118.68 126.86 2pkr s LEU 117 Ca -0.10 -1.76 -0.29 0.00 0.69 0.00 0.00 54.13 52.67 2pkr s LEU 117 Cb -0.14 -1.68 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2pkr s LEU 117 CO 0.03 -0.35 1.05 -0.63 -0.29 0.00 0.00 176.35 176.17 2pkr s ILE 118 N 1.08 4.66 -0.08 6.68 1.01 0.46 -0.40 121.20 134.61 2pkr s ILE 118 Ca 0.02 1.95 -0.05 0.00 0.00 0.00 0.00 60.65 62.58 2pkr s ILE 118 Cb -0.20 -4.25 -0.16 0.00 0.01 0.00 0.00 42.46 37.86 2pkr s ILE 118 CO -0.05 -0.03 3.18 0.35 0.00 0.00 0.00 174.94 178.38 2pkr n THR 119 N 4.73 2.88 -3.69 2.92 -2.24 0.40 -1.98 114.28 117.30 2pkr n THR 119 Ca 0.10 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2pkr n THR 119 Cb 0.48 -1.83 -0.00 0.00 -2.10 0.00 0.00 70.33 66.87 2pkr n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkr s ALA 120 N 0.31 -2.12 0.46 6.98 0.00 -1.22 -4.94 121.76 121.23 2pkr s ALA 120 Ca 0.54 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.72 2pkr s ALA 120 Cb 0.28 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 2pkr s ALA 120 CO -0.03 -1.06 1.40 -2.14 0.00 0.00 0.00 175.76 173.93 2pkr s PRO 121 N -2.53 3.65 0.24 0.00 0.02 -1.23 -3.85 135.00 131.30 2pkr s PRO 121 Ca 0.16 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 2pkr s PRO 121 Cb 0.03 -2.61 -0.07 0.00 0.02 0.00 0.00 34.50 31.87 2pkr s PRO 121 CO -0.02 -0.83 0.55 0.20 -0.33 0.00 0.00 177.00 176.57 2pkr s GLY 122 N -0.60 2.19 -0.07 0.52 0.00 -1.26 -4.93 107.32 103.17 2pkr s GLY 122 Ca 0.62 -0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 2pkr s GLY 122 CO 0.54 -0.20 0.24 0.54 0.00 0.00 0.00 173.10 174.22 2pkr s LYS 122 N -2.98 3.61 2.61 2.90 -0.14 0.36 -4.86 119.74 121.24 2pkr s LYS 122 Ca 0.47 0.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.14 2pkr s LYS 122 Cb -0.11 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2pkr s LYS 122 CO 0.23 0.74 0.00 0.41 -0.76 0.00 0.00 175.35 175.98 2pkr n GLY 123 N 1.88 -0.81 3.20 -3.33 0.00 -1.26 -4.16 105.19 100.71 2pkr n GLY 123 Ca -0.17 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 0.41 4.12 -4.05 1.61 2.03 -1.26 -4.90 116.55 114.52 2pkr n ASP 124 Ca 0.00 -2.85 -0.30 0.00 0.52 0.00 0.00 54.79 52.16 2pkr n ASP 124 Cb 0.00 -1.65 -0.16 0.00 -0.72 0.00 0.00 41.12 38.58 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 4.50 1.63 0.08 5.18 1.01 -1.26 -4.98 121.20 127.34 2pkr s ILE 125 Ca 0.53 -0.69 -0.34 0.00 0.00 0.00 0.00 60.65 60.15 2pkr s ILE 125 Cb 0.09 -1.50 -0.13 0.00 0.01 0.00 0.00 42.46 40.92 2pkr s ILE 125 CO 0.02 0.47 1.69 -2.65 0.00 0.00 0.00 174.94 174.46 2pkr n PRO 126 N 4.53 2.17 -4.62 2.79 -0.02 -1.25 -4.76 135.00 133.84 2pkr n PRO 126 Ca -0.18 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2pkr n PRO 126 Cb 0.50 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 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 2.02 3.48 0.05 3.45 2.01 -1.26 -0.58 115.64 124.81 2pkr s THR 127 Ca 0.84 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.35 2pkr s THR 127 Cb -0.68 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2pkr s THR 127 CO 0.42 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.46 2pkr s TYR 128 N 0.04 1.05 -0.14 4.92 2.02 0.18 -4.77 117.35 120.65 2pkr s TYR 128 Ca -0.02 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2pkr s TYR 128 Cb -0.14 -0.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2pkr s TYR 128 CO 0.03 0.01 -0.04 0.08 -1.57 0.00 0.00 175.55 174.07 2pkr s VAL 129 N -1.06 0.93 0.17 0.71 1.01 -1.26 -4.15 120.40 116.75 2pkr s VAL 129 Ca -0.02 -0.44 -0.32 0.00 0.00 0.00 0.00 61.98 61.21 2pkr s VAL 129 Cb -0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 36.38 35.08 2pkr s VAL 129 CO 0.01 0.17 1.77 -0.69 0.00 0.00 0.00 175.10 176.36 2pkr s VAL 130 N 1.72 2.29 0.00 2.92 1.01 -1.26 -1.13 120.40 125.95 2pkr s VAL 130 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2pkr s VAL 130 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2pkr s VAL 130 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pkr n GLY 131 N 4.09 0.33 0.95 4.51 0.00 -1.26 -4.89 105.19 108.91 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 -2.00 0.54 -2.06 1.61 0.31 -0.29 -4.93 118.33 111.50 2pkr n VAL 132 Ca 0.00 0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2pkr n VAL 132 Cb 0.00 -1.57 -0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 -3.27 0.04 0.28 4.52 2.04 -0.95 -4.92 115.26 113.00 2pkr n ASN 133 Ca -0.03 -1.69 0.16 0.00 -0.44 0.00 0.00 54.58 52.58 2pkr n ASN 133 Cb 0.35 -0.11 0.84 0.00 -2.53 0.00 0.00 39.78 38.33 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 0.13 0.00 0.00 -3.83 9.09 -1.93 -2.13 114.58 115.90 2pkr h GLU 134 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 134 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 2pkr h GLU 134 CO -0.01 0.07 0.00 0.39 0.05 0.00 0.00 179.01 179.51 2pkr n GLU 135 N -3.47 0.04 0.00 1.06 1.02 -1.26 -1.33 120.64 116.70 2pkr n GLU 135 Ca -0.02 0.48 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 2pkr n GLU 135 Cb 0.20 -1.61 0.36 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.11 -1.26 3.76 0.62 0.00 -0.80 -4.92 105.19 101.49 2pkr n GLY 136 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.95 2.69 0.02 1.61 5.04 -0.44 -5.04 117.35 118.29 2pkr s TYR 137 Ca 0.13 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.17 2pkr s TYR 137 Cb 0.18 -3.69 -0.02 0.00 0.35 0.00 0.00 41.96 38.78 2pkr s TYR 137 CO 0.64 -2.27 -0.05 0.95 -1.34 0.00 0.00 175.55 173.48 2pkr s THR 138 N -1.29 0.32 0.64 4.34 -4.23 -1.26 -5.03 115.64 109.12 2pkr s THR 138 Ca 0.60 -0.73 0.33 0.00 -1.18 0.00 0.00 61.69 60.71 2pkr s THR 138 Cb -0.38 -0.38 0.36 0.00 1.34 0.00 0.00 72.50 73.44 2pkr s THR 138 CO 0.48 -0.28 2.07 -0.74 -0.54 0.00 0.00 174.62 175.61 2pkr h HIS 139 N 5.03 0.00 0.00 3.99 2.76 -1.96 -1.95 115.15 123.01 2pkr h HIS 139 Ca -0.32 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.84 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 0.58 0.00 -0.06 0.00 -1.30 0.00 0.00 177.93 177.14 2pkr h ALA 140 N 1.62 1.16 -1.68 5.26 0.00 -1.95 -3.42 119.26 120.25 2pkr h ALA 140 Ca 0.05 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 2pkr h ALA 140 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2pkr h ALA 140 CO -0.00 0.08 1.35 -0.51 0.00 0.00 0.00 179.25 180.17 2pkr s ASP 141 N -5.82 5.47 0.39 0.00 1.01 -0.74 -4.85 116.67 112.13 2pkr s ASP 141 Ca -0.03 0.86 0.21 0.00 0.71 0.00 0.00 52.55 54.31 2pkr s ASP 141 Cb 0.12 -2.52 0.51 0.00 1.01 0.00 0.00 42.92 42.04 2pkr s ASP 141 CO 0.53 -2.12 1.65 0.71 0.21 0.00 0.00 175.17 176.15 2pkr h THR 142 N 6.93 0.48 -3.30 -1.27 1.35 -1.89 -3.43 112.91 111.79 2pkr h THR 142 Ca -0.29 -1.43 -0.39 0.00 -0.55 0.00 0.00 66.41 63.74 2pkr h THR 142 Cb 1.18 2.04 -0.39 0.00 -1.73 0.00 0.00 68.15 69.25 2pkr h THR 142 CO 1.13 0.25 -0.75 -0.63 -0.25 0.00 0.00 175.52 175.27 2pkr s ILE 143 N -3.30 0.01 0.25 6.82 1.01 -1.26 -0.58 121.20 124.15 2pkr s ILE 143 Ca 0.03 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.11 2pkr s ILE 143 Cb 0.08 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 2pkr s ILE 143 CO 0.68 0.20 -0.10 0.27 0.00 0.00 0.00 174.94 175.99 2pkr s ILE 144 N 2.12 1.68 -0.02 2.92 -4.36 0.09 -3.96 121.20 119.67 2pkr s ILE 144 Ca 0.05 -2.17 0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2pkr s ILE 144 Cb -0.12 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2pkr s ILE 144 CO -0.04 -0.43 -0.17 -0.55 0.24 0.00 0.00 174.94 173.99 2pkr s SER 145 N -3.39 2.07 -0.13 4.36 0.15 0.26 -0.40 113.70 116.61 2pkr s SER 145 Ca 0.27 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.74 2pkr s SER 145 Cb 0.02 -0.31 0.65 0.00 -1.71 0.00 0.00 66.02 64.66 2pkr s SER 145 CO 0.10 0.20 1.53 -3.20 1.20 0.00 0.00 173.24 173.07 2pkr n ASN 146 N 2.77 4.45 -0.37 5.45 5.15 -0.84 -0.64 115.26 131.23 2pkr n ASN 146 Ca -0.15 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 2pkr n ASN 146 Cb 0.54 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.82 0.00 -2.39 5.20 0.00 -1.25 -4.80 120.51 118.09 2pkr n ALA 147 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 2pkr n ALA 147 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 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 -4.00 5.52 0.17 0.00 1.04 -1.26 -3.46 113.70 111.70 2pkr s SER 148 Ca 0.00 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 2pkr s SER 148 Cb 0.00 -0.96 0.07 0.00 0.10 0.00 0.00 66.02 65.24 2pkr s SER 148 CO 0.00 -0.47 1.81 0.00 0.98 0.00 0.00 173.24 175.55 2pkr h THR 150 N 0.56 1.21 -0.33 0.00 2.02 -1.95 -2.18 112.91 112.24 2pkr h THR 150 Ca 0.19 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 2pkr h THR 150 Cb 0.01 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2pkr h THR 150 CO -0.08 0.30 -0.24 0.74 0.37 0.00 0.00 175.52 176.61 2pkr h THR 151 N 0.50 1.27 0.00 3.16 2.02 -1.67 -0.61 112.91 117.58 2pkr h THR 151 Ca 0.10 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 2pkr h THR 151 Cb 0.41 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2pkr h THR 151 CO 0.02 0.44 -0.13 0.78 0.37 0.00 0.00 175.52 177.00 2pkr h ASN 152 N 0.58 0.00 0.16 4.18 4.21 -0.71 -1.31 115.58 122.68 2pkr h ASN 152 Ca 0.08 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.28 2pkr h ASN 152 Cb 0.72 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2pkr h ASN 152 CO 0.06 0.13 -1.56 0.00 -1.29 0.00 0.00 177.43 174.76 2pkr h LEU 154 N -0.08 -0.28 -0.83 0.00 5.85 -1.04 -3.38 115.31 115.55 2pkr h LEU 154 Ca -0.32 -0.21 0.18 0.00 0.84 0.00 0.00 57.88 58.37 2pkr h LEU 154 Cb 1.94 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.89 2pkr h LEU 154 CO 0.13 0.23 -0.13 0.00 -0.34 0.00 0.00 178.44 178.33 2pkr h ALA 155 N -0.62 0.68 -0.23 1.25 0.00 -1.47 -1.13 119.26 117.74 2pkr h ALA 155 Ca -0.03 0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2pkr h ALA 155 Cb 0.47 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2pkr h ALA 155 CO 0.05 -0.43 -0.17 -1.35 0.00 0.00 0.00 179.25 177.36 2pkr h PRO 156 N 0.03 -0.16 0.00 0.00 0.11 -1.77 0.14 132.00 130.35 2pkr h PRO 156 Ca 0.43 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 2pkr h PRO 156 Cb 0.71 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 2pkr h PRO 156 CO -0.81 -0.11 -0.20 0.27 -0.21 0.00 0.00 178.00 176.94 2pkr h PHE 157 N -0.17 0.00 -0.47 0.65 -5.15 -1.61 -3.10 116.94 107.09 2pkr h PHE 157 Ca 0.13 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.76 2pkr h PHE 157 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.52 2pkr h PHE 157 CO -0.33 0.00 -0.24 0.28 -2.00 0.00 0.00 178.31 176.02 2pkr h VAL 158 N 0.00 1.27 -0.97 0.88 2.07 -0.80 -0.45 116.25 118.25 2pkr h VAL 158 Ca -0.00 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.17 2pkr h VAL 158 Cb 1.00 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 2pkr h VAL 158 CO 0.00 0.48 0.62 0.50 0.02 0.00 0.00 177.57 179.20 2pkr h LYS 159 N 0.84 1.11 -0.15 1.57 3.64 -0.68 0.53 116.57 123.44 2pkr h LYS 159 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2pkr h LYS 159 Cb 0.82 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2pkr h LYS 159 CO 0.07 0.74 -0.08 0.28 -2.27 0.00 0.00 179.45 178.19 2pkr h VAL 160 N 1.15 1.32 -0.96 2.00 2.07 -1.39 -2.23 116.25 118.21 2pkr h VAL 160 Ca 0.41 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2pkr h VAL 160 Cb 0.14 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2pkr h VAL 160 CO -0.16 0.33 0.63 -0.07 0.02 0.00 0.00 177.57 178.31 2pkr h LEU 161 N -0.02 1.01 -0.13 2.57 3.38 -0.49 0.51 115.31 122.14 2pkr h LEU 161 Ca 0.03 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2pkr h LEU 161 Cb 0.55 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2pkr h LEU 161 CO 0.02 0.67 -0.17 -0.78 0.09 0.00 0.00 178.44 178.28 2pkr h ASP 162 N 1.16 0.37 -0.58 -0.43 3.58 -0.91 -0.33 116.42 119.29 2pkr h ASP 162 Ca 0.39 -0.51 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 2pkr h ASP 162 Cb 0.09 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2pkr h ASP 162 CO -0.14 0.81 0.17 1.56 -2.88 0.00 0.00 179.24 178.76 2pkr h GLN 163 N -0.05 0.91 0.03 0.28 4.20 -0.98 0.23 115.11 119.74 2pkr h GLN 163 Ca 0.02 -0.20 -0.24 0.00 0.06 0.00 0.00 58.65 58.28 2pkr h GLN 163 Cb 0.72 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2pkr h GLN 163 CO 0.04 0.83 -1.23 0.87 -0.67 0.00 0.00 178.83 178.67 2pkr h LYS 164 N 0.83 0.06 0.00 1.46 6.56 -0.95 -3.41 116.57 121.12 2pkr h LYS 164 Ca 0.19 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2pkr h LYS 164 Cb 0.31 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2pkr h LYS 164 CO -0.00 0.94 -0.24 1.19 -2.06 0.00 0.00 179.45 179.28 2pkr n PHE 165 N -3.32 0.00 -1.59 -1.35 3.72 -0.19 -4.94 117.46 109.79 2pkr n PHE 165 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 2pkr n PHE 165 Cb 0.98 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.83 -3.53 3.62 1.37 0.00 0.07 -1.62 105.19 105.94 2pkr n GLY 166 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.15 4.66 -0.14 -0.61 1.01 -1.26 0.31 121.20 125.02 2pkr s ILE 167 Ca -0.04 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 2pkr s ILE 167 Cb 0.00 -4.27 -0.26 0.00 0.01 0.00 0.00 42.46 37.94 2pkr s ILE 167 CO 0.12 -0.36 0.72 0.40 0.00 0.00 0.00 174.94 175.82 2pkr h ILE 168 N 5.66 1.66 -2.34 2.92 2.04 -1.40 -3.48 117.51 122.57 2pkr h ILE 168 Ca -0.22 -2.35 0.13 0.00 1.00 0.00 0.00 64.86 63.42 2pkr h ILE 168 Cb 1.08 3.24 -0.12 0.00 -0.74 0.00 0.00 36.82 40.28 2pkr h ILE 168 CO 0.95 0.59 0.48 -1.59 0.00 0.00 0.00 178.15 178.58 2pkr s LYS 169 N -2.26 1.00 0.13 2.37 -2.85 -1.21 -4.82 119.74 112.10 2pkr s LYS 169 Ca -0.20 -0.47 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 2pkr s LYS 169 Cb -0.02 0.40 0.08 0.00 -2.06 0.00 0.00 37.83 36.23 2pkr s LYS 169 CO 0.69 -0.45 1.03 0.20 0.10 0.00 0.00 175.35 176.92 2pkr s GLY 170 N -2.70 -0.21 0.05 0.59 0.00 0.31 -0.97 107.32 104.40 2pkr s GLY 170 Ca 0.08 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.96 2pkr s GLY 170 CO -0.04 0.41 -0.05 -1.08 0.00 0.00 0.00 173.10 172.33 2pkr s THR 171 N -2.97 0.41 0.01 0.90 -1.32 0.35 -3.14 115.64 109.88 2pkr s THR 171 Ca 0.14 -1.35 -0.02 0.00 -1.21 0.00 0.00 61.69 59.26 2pkr s THR 171 Cb -0.00 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 2pkr s THR 171 CO 0.02 -0.62 0.01 0.00 -2.21 0.00 0.00 174.62 171.81 2pkr s MET 172 N -2.44 0.29 -0.06 7.08 0.23 -0.24 -1.21 119.30 122.97 2pkr s MET 172 Ca -0.04 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.17 2pkr s MET 172 Cb -0.04 0.11 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 2pkr s MET 172 CO -0.03 -0.05 -0.05 0.99 -2.03 0.00 0.00 175.02 173.85 2pkr s THR 173 N -1.19 0.61 -0.21 3.16 2.01 0.16 -1.38 115.64 118.81 2pkr s THR 173 Ca -0.13 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 2pkr s THR 173 Cb -0.08 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 2pkr s THR 173 CO -0.00 0.26 -0.03 0.28 -0.69 0.00 0.00 174.62 174.43 2pkr s THR 174 N 1.14 3.56 -0.58 -0.82 -1.32 -0.68 -0.73 115.64 116.21 2pkr s THR 174 Ca -0.07 -0.44 -0.21 0.00 -1.21 0.00 0.00 61.69 59.76 2pkr s THR 174 Cb -0.14 -2.60 0.07 0.00 -1.51 0.00 0.00 72.50 68.32 2pkr s THR 174 CO -0.01 0.43 0.80 -0.89 -2.21 0.00 0.00 174.62 172.74 2pkr s THR 175 N 1.21 4.62 -0.08 5.08 2.01 -0.38 0.14 115.64 128.23 2pkr s THR 175 Ca 0.03 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2pkr s THR 175 Cb -0.14 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 2pkr s THR 175 CO -0.00 -1.13 -0.07 -2.28 -0.69 0.00 0.00 174.62 170.45 2pkr s HIS 176 N 3.29 2.95 0.74 4.92 5.04 0.35 -1.50 115.29 131.07 2pkr s HIS 176 Ca 0.19 -0.02 -0.14 0.00 -1.54 0.00 0.00 55.06 53.55 2pkr s HIS 176 Cb -0.19 -1.74 0.04 0.00 0.04 0.00 0.00 32.58 30.74 2pkr s HIS 176 CO 0.11 0.29 1.18 -1.12 -2.34 0.00 0.00 174.74 172.86 2pkr s SER 177 N -0.68 4.23 0.72 9.88 0.01 -1.24 -0.75 113.70 125.88 2pkr s SER 177 Ca 0.10 2.26 -0.12 0.00 1.31 0.00 0.00 55.95 59.51 2pkr s SER 177 Cb -0.11 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2pkr s SER 177 CO 0.02 -2.23 1.08 -0.72 0.41 0.00 0.00 173.24 171.80 2pkr s TYR 178 N -2.14 2.75 0.26 2.43 -0.85 -0.54 -4.73 117.35 114.54 2pkr s TYR 178 Ca 0.72 1.52 0.02 0.00 -0.52 0.00 0.00 57.07 58.80 2pkr s TYR 178 Cb -0.27 -3.02 -0.05 0.00 0.38 0.00 0.00 41.96 39.00 2pkr s TYR 178 CO 0.46 -1.59 0.09 0.95 -1.52 0.00 0.00 175.55 173.94 2pkr s THR 179 N -2.83 0.63 -0.70 -3.49 -4.23 -1.26 -4.69 115.64 99.08 2pkr s THR 179 Ca 0.61 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2pkr s THR 179 Cb -0.17 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 71.09 2pkr s THR 179 CO 0.52 -0.01 1.18 0.61 -0.54 0.00 0.00 174.62 176.38 2pkr n GLY 180 N -0.49 -0.59 0.00 3.99 0.00 -1.26 -0.86 105.19 105.98 2pkr n GLY 180 Ca -0.00 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2pkr n GLY 180 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 181 N -1.72 0.00 -4.98 1.61 2.03 -1.26 -4.79 116.55 107.44 2pkr n ASP 181 Ca -0.00 0.30 -0.20 0.00 0.52 0.00 0.00 54.79 55.40 2pkr n ASP 181 Cb 0.04 -0.43 0.03 0.00 -0.72 0.00 0.00 41.12 40.04 2pkr n ASP 181 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2pkr s GLN 182 N -2.86 2.67 -0.06 -0.67 -0.21 -0.04 -4.96 119.66 113.53 2pkr s GLN 182 Ca 0.18 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 2pkr s GLN 182 Cb 0.18 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2pkr s GLN 182 CO 0.48 -0.55 0.10 1.03 -2.12 0.00 0.00 175.29 174.23 2pkr s ARG 183 N -4.63 3.22 0.17 2.91 1.81 -1.11 -4.99 118.95 116.32 2pkr s ARG 183 Ca 0.56 -0.33 -0.11 0.00 -1.72 0.00 0.00 55.73 54.12 2pkr s ARG 183 Cb -0.10 -2.98 0.05 0.00 -0.45 0.00 0.00 34.95 31.47 2pkr s ARG 183 CO 0.37 0.71 1.65 1.25 -0.68 0.00 0.00 175.30 178.60 2pkr h LEU 184 N 4.58 0.91 -8.22 2.53 5.85 -1.92 -0.16 115.31 118.89 2pkr h LEU 184 Ca -0.51 -0.27 -0.28 0.00 0.84 0.00 0.00 57.88 57.66 2pkr h LEU 184 Cb 1.20 -0.24 -0.20 0.00 0.37 0.00 0.00 40.66 41.79 2pkr h LEU 184 CO 0.60 0.95 -0.73 -0.76 -0.34 0.00 0.00 178.44 178.15 2pkr s LEU 185 N -9.48 2.29 -0.46 2.25 1.43 -1.26 -3.76 118.68 109.69 2pkr s LEU 185 Ca -0.12 -0.61 -0.42 0.00 -1.03 0.00 0.00 54.13 51.95 2pkr s LEU 185 Cb 0.13 -0.18 -0.18 0.00 0.03 0.00 0.00 46.19 45.99 2pkr s LEU 185 CO 0.82 -0.23 1.68 0.47 0.23 0.00 0.00 176.35 179.32 2pkr n ASP 186 N 1.26 0.92 -4.01 2.29 9.92 -1.25 -4.47 116.55 121.21 2pkr n ASP 186 Ca -0.21 0.88 -0.09 0.00 -0.53 0.00 0.00 54.79 54.84 2pkr n ASP 186 Cb 0.55 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 40.17 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 3.93 -0.16 0.31 2.24 0.00 -0.18 -4.94 121.76 122.96 2pkr s ALA 187 Ca 1.02 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2pkr s ALA 187 Cb -1.37 1.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.72 2pkr s ALA 187 CO 0.69 -0.84 1.40 -1.13 0.00 0.00 0.00 175.76 175.88 2pkr n SER 188 N -0.38 3.08 -3.63 0.00 3.41 -1.26 -4.53 113.62 110.31 2pkr n SER 188 Ca -0.01 1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 59.68 2pkr n SER 188 Cb 0.62 -1.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.00 2pkr n SER 188 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2pkr s HIS 190 N -0.59 -0.43 0.44 7.33 5.04 -1.26 -4.92 115.29 120.90 2pkr s HIS 190 Ca 0.60 0.99 0.14 0.00 -1.54 0.00 0.00 55.06 55.26 2pkr s HIS 190 Cb -0.57 0.39 0.99 0.00 0.04 0.00 0.00 32.58 33.43 2pkr s HIS 190 CO 0.56 -0.24 1.99 0.00 -2.34 0.00 0.00 174.74 174.71 2pkr h ARG 191 N 3.79 0.00 -5.06 2.88 -0.00 -1.98 -3.34 114.38 110.67 2pkr h ARG 191 Ca -0.26 -0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.55 2pkr h ARG 191 Cb 1.17 -0.00 -0.17 0.00 0.00 0.00 0.00 29.97 30.97 2pkr h ARG 191 CO 0.15 0.19 0.18 0.34 0.00 0.00 0.00 179.97 180.83 2pkr s ASP 192 N -7.00 6.22 0.50 7.04 -1.08 -1.26 -4.93 116.67 116.16 2pkr s ASP 192 Ca -0.04 -0.97 0.24 0.00 -0.52 0.00 0.00 52.55 51.26 2pkr s ASP 192 Cb 0.16 -2.32 1.32 0.00 -1.46 0.00 0.00 42.92 40.62 2pkr s ASP 192 CO 0.70 -1.04 1.71 -0.07 0.52 0.00 0.00 175.17 176.99 2pkr h LEU 193 N 10.09 0.00 0.04 -1.34 3.38 -1.99 -1.76 115.31 123.73 2pkr h LEU 193 Ca -0.28 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 2pkr h LEU 193 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2pkr h LEU 193 CO 1.03 0.00 -1.29 0.03 0.09 0.00 0.00 178.44 178.31 2pkr h ARG 194 N 0.00 0.08 0.00 1.13 3.08 -1.92 -3.31 114.38 113.44 2pkr h ARG 194 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2pkr h ARG 194 Cb 0.49 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2pkr h ARG 194 CO 0.00 1.07 0.00 0.54 -1.07 0.00 0.00 179.97 180.51 2pkr n ARG 195 N -4.22 0.02 0.13 0.04 1.74 -0.73 -1.09 116.66 112.54 2pkr n ARG 195 Ca -0.29 0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 2pkr n ARG 195 Cb 0.76 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.07 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr h ALA 196 N 2.21 1.00 -2.50 7.54 0.00 -1.45 -2.94 119.26 123.12 2pkr h ALA 196 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2pkr h ALA 196 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pkr h ALA 196 CO 0.00 0.00 0.17 1.03 0.00 0.00 0.00 179.25 180.45 2pkr s ARG 197 N -3.14 4.33 -0.38 0.00 1.81 -0.25 -1.02 118.95 120.30 2pkr s ARG 197 Ca 0.10 0.98 -0.33 0.00 -1.72 0.00 0.00 55.73 54.75 2pkr s ARG 197 Cb 0.11 -2.84 -0.14 0.00 -0.45 0.00 0.00 34.95 31.63 2pkr s ARG 197 CO 0.60 0.36 1.57 0.00 -0.68 0.00 0.00 175.30 177.14 2pkr n ALA 198 N 0.64 0.04 0.06 2.13 0.00 -1.26 -4.43 120.51 117.69 2pkr n ALA 198 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 2pkr n ALA 198 Cb 0.51 -1.56 0.22 0.00 0.00 0.00 0.00 19.45 18.63 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 6.46 1.12 -0.01 0.00 0.00 -1.10 -2.92 119.26 122.81 2pkr h ALA 199 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pkr h ALA 199 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pkr h ALA 199 CO 0.81 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 180.54 2pkr n LEU 201 N -0.66 1.37 -4.21 0.00 4.77 -1.11 -4.77 117.00 112.38 2pkr n LEU 201 Ca 0.17 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 55.26 2pkr n LEU 201 Cb 0.28 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2pkr n LEU 201 CO 0.21 0.27 -0.29 0.20 -1.33 0.00 0.00 177.39 176.45 2pkr s ASN 202 N -1.57 0.70 -0.26 -1.43 -0.87 -1.18 -5.07 114.94 105.26 2pkr s ASN 202 Ca 0.10 -1.26 -0.10 0.00 -1.57 0.00 0.00 52.86 50.04 2pkr s ASN 202 Cb 0.10 0.23 -0.04 0.00 -0.02 0.00 0.00 41.25 41.52 2pkr s ASN 202 CO 0.31 -0.70 0.14 -0.63 -2.57 0.00 0.00 177.10 173.65 2pkr s ILE 203 N -3.90 4.96 -0.32 0.60 1.01 -1.26 -4.12 121.20 118.17 2pkr s ILE 203 Ca 0.29 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 2pkr s ILE 203 Cb 0.07 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2pkr s ILE 203 CO 0.06 0.30 0.08 -0.69 0.00 0.00 0.00 174.94 174.69 2pkr s VAL 204 N 1.60 3.71 -0.04 2.92 1.01 0.22 -4.92 120.40 124.90 2pkr s VAL 204 Ca 0.07 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 2pkr s VAL 204 Cb -0.15 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2pkr s VAL 204 CO 0.08 -0.10 0.45 -2.16 0.00 0.00 0.00 175.10 173.38 2pkr s PRO 205 N 1.41 4.14 0.00 2.72 0.05 -1.26 0.23 135.00 142.29 2pkr s PRO 205 Ca -0.01 0.46 0.00 0.00 0.05 0.00 0.00 61.00 61.50 2pkr s PRO 205 Cb -0.19 -3.32 0.00 0.00 0.05 0.00 0.00 34.50 31.05 2pkr s PRO 205 CO 0.02 0.46 0.00 -2.37 0.05 0.00 0.00 177.00 175.16 2pkr n THR 206 N 2.60 0.00 -2.01 1.26 5.66 -0.19 -4.67 114.28 116.93 2pkr n THR 206 Ca -0.11 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.54 2pkr n THR 206 Cb 0.52 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.33 2pkr n THR 206 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pkr s SER 207 N 0.41 5.29 -0.30 1.09 1.04 -1.26 -1.85 113.70 118.12 2pkr s SER 207 Ca 0.00 2.23 -0.05 0.00 0.48 0.00 0.00 55.95 58.62 2pkr s SER 207 Cb 0.00 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.70 2pkr s SER 207 CO 0.00 -1.51 0.62 0.28 0.98 0.00 0.00 173.24 173.61 2pkr s THR 208 N -1.84 -0.99 -1.95 2.02 -1.32 -1.26 -4.34 115.64 105.95 2pkr s THR 208 Ca 0.73 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.45 2pkr s THR 208 Cb -0.26 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.37 2pkr s THR 208 CO 0.33 0.00 1.76 0.61 -2.21 0.00 0.00 174.62 175.11 2pkr n GLY 209 N 5.44 -0.75 0.36 6.08 0.00 -1.26 -4.16 105.19 110.90 2pkr n GLY 209 Ca -0.05 -0.14 0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 3.42 1.99 0.05 4.61 0.00 -1.96 0.55 119.26 127.92 2pkr h ALA 210 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pkr h ALA 210 Cb 0.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pkr h ALA 210 CO 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 179.25 178.72 2pkr h ALA 211 N 1.74 -0.06 -0.01 0.00 0.00 -1.90 0.52 119.26 119.56 2pkr h ALA 211 Ca 0.68 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.38 2pkr h ALA 211 Cb 1.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2pkr h ALA 211 CO -0.48 -0.47 -0.60 1.57 0.00 0.00 0.00 179.25 179.27 2pkr h LYS 212 N -0.19 0.02 0.05 0.00 2.10 -1.42 -3.05 116.57 114.08 2pkr h LYS 212 Ca -0.01 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2pkr h LYS 212 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2pkr h LYS 212 CO 0.01 0.61 -0.02 0.00 -2.00 0.00 0.00 179.45 178.05 2pkr h ALA 213 N 1.39 -0.07 -1.19 0.07 0.00 0.39 -1.72 119.26 118.13 2pkr h ALA 213 Ca -0.01 -0.20 0.40 0.00 0.00 0.00 0.00 54.91 55.11 2pkr h ALA 213 Cb 1.06 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 2pkr h ALA 213 CO 0.08 -0.34 0.74 0.28 0.00 0.00 0.00 179.25 180.01 2pkr h VAL 214 N -0.47 0.15 -0.71 0.00 2.07 -0.02 -0.87 116.25 116.42 2pkr h VAL 214 Ca -0.01 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2pkr h VAL 214 Cb 0.42 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2pkr h VAL 214 CO 0.01 0.02 0.36 0.00 0.02 0.00 0.00 177.57 177.98 2pkr h ALA 215 N 1.72 0.91 -0.90 1.67 0.00 -1.22 -1.75 119.26 119.68 2pkr h ALA 215 Ca 0.80 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.68 2pkr h ALA 215 Cb 2.29 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 2pkr h ALA 215 CO -0.51 0.45 0.54 -0.07 0.00 0.00 0.00 179.25 179.66 2pkr h LEU 216 N 0.98 0.77 0.00 0.00 3.38 -0.50 -1.78 115.31 118.17 2pkr h LEU 216 Ca 0.24 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2pkr h LEU 216 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pkr h LEU 216 CO -0.03 0.42 -0.79 1.33 0.09 0.00 0.00 178.44 179.46 2pkr n VAL 217 N -4.70 0.19 -3.34 1.22 0.24 -1.11 -4.44 118.33 106.39 2pkr n VAL 217 Ca 0.16 -0.20 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 2pkr n VAL 217 Cb 0.32 0.13 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.90 0.77 -0.46 1.34 4.77 -0.67 -4.60 117.00 116.25 2pkr n LEU 218 Ca 0.03 -4.76 0.39 0.00 -0.03 0.00 0.00 56.01 51.64 2pkr n LEU 218 Cb 0.41 0.30 0.66 0.00 -2.33 0.00 0.00 43.42 42.47 2pkr n LEU 218 CO 0.38 1.99 1.20 -2.65 -1.33 0.00 0.00 177.39 176.97 2pkr n PRO 219 N 1.75 -0.04 0.30 3.23 -0.02 -0.72 -0.15 135.00 139.35 2pkr n PRO 219 Ca 0.25 1.25 0.20 0.00 -2.02 0.00 0.00 63.50 63.19 2pkr n PRO 219 Cb 0.48 -2.45 1.08 0.00 -0.02 0.00 0.00 33.50 32.59 2pkr n PRO 219 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2pkr h ASN 220 N 0.00 0.00 -0.48 2.55 -1.24 -1.95 -0.41 115.58 114.06 2pkr h ASN 220 Ca 0.87 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.88 2pkr h ASN 220 Cb 2.77 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.82 2pkr h ASN 220 CO -0.49 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 175.83 2pkr n LEU 221 N -2.92 2.93 -4.67 0.34 7.99 0.78 -4.93 117.00 116.52 2pkr n LEU 221 Ca -0.02 -1.40 -0.48 0.00 -0.01 0.00 0.00 56.01 54.10 2pkr n LEU 221 Cb 0.08 -0.32 -0.05 0.00 -0.11 0.00 0.00 43.42 43.02 2pkr n LEU 221 CO 0.18 0.70 1.30 1.17 -1.51 0.00 0.00 177.39 179.24 2pkr n LYS 222 N 1.11 2.03 -0.95 3.23 3.00 -0.16 -1.28 118.16 125.15 2pkr n LYS 222 Ca 0.19 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.24 2pkr n LYS 222 Cb 0.48 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 32.99 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pkr n GLY 223 N 3.80 0.32 0.01 3.14 0.00 -1.26 -4.87 105.19 106.33 2pkr n GLY 223 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.31 0.24 -4.23 1.61 5.02 -0.40 -4.99 118.16 114.10 2pkr n LYS 224 Ca 0.00 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2pkr n LYS 224 Cb 0.18 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.63 2.46 0.22 -0.35 1.43 -1.26 -0.53 118.68 117.03 2pkr s LEU 225 Ca 0.03 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 2pkr s LEU 225 Cb 0.15 -0.38 0.04 0.00 0.03 0.00 0.00 46.19 46.03 2pkr s LEU 225 CO 0.85 -0.27 0.71 0.21 0.23 0.00 0.00 176.35 178.09 2pkr s ASN 226 N -2.79 -0.35 -0.03 2.29 2.47 -1.19 -4.44 114.94 110.90 2pkr s ASN 226 Ca 0.12 -0.39 -0.14 0.00 0.42 0.00 0.00 52.86 52.87 2pkr s ASN 226 Cb -0.01 0.66 0.04 0.00 -1.45 0.00 0.00 41.25 40.50 2pkr s ASN 226 CO 0.01 -1.17 0.62 0.61 -3.72 0.00 0.00 177.10 173.45 2pkr n GLY 227 N -0.43 0.32 3.48 1.21 0.00 -1.26 -1.07 105.19 107.44 2pkr n GLY 227 Ca -0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.04 0.00 0.04 -0.61 -5.25 -0.48 -4.52 121.20 108.35 2pkr s ILE 228 Ca 0.15 -1.59 0.08 0.00 -0.99 0.00 0.00 60.65 58.30 2pkr s ILE 228 Cb -0.00 -2.36 -0.03 0.00 2.95 0.00 0.00 42.46 43.02 2pkr s ILE 228 CO -0.01 0.00 -0.22 0.00 -1.79 0.00 0.00 174.94 172.92 2pkr s ALA 229 N -3.86 1.84 -0.29 2.27 0.00 -0.77 -1.68 121.76 119.27 2pkr s ALA 229 Ca 0.28 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2pkr s ALA 229 Cb 0.01 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2pkr s ALA 229 CO 0.12 0.42 -0.05 -0.51 0.00 0.00 0.00 175.76 175.74 2pkr s LEU 230 N -1.15 3.92 0.06 0.00 1.43 0.12 -1.02 118.68 122.03 2pkr s LEU 230 Ca 0.08 -1.68 -0.30 0.00 -1.03 0.00 0.00 54.13 51.21 2pkr s LEU 230 Cb -0.09 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2pkr s LEU 230 CO 0.02 -0.26 0.99 -0.13 0.23 0.00 0.00 176.35 177.19 2pkr s ARG 231 N 1.03 4.61 0.24 1.70 1.81 0.14 -0.50 118.95 127.98 2pkr s ARG 231 Ca -0.02 1.46 0.07 0.00 -1.72 0.00 0.00 55.73 55.52 2pkr s ARG 231 Cb -0.20 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 30.84 2pkr s ARG 231 CO -0.06 0.05 -0.09 0.14 -0.68 0.00 0.00 175.30 174.66 2pkr s VAL 232 N 0.55 1.62 -0.01 3.52 -7.23 0.07 0.68 120.40 119.60 2pkr s VAL 232 Ca 0.50 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2pkr s VAL 232 Cb -0.23 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 2pkr s VAL 232 CO 0.29 -0.45 1.51 -2.65 -0.31 0.00 0.00 175.10 173.50 2pkr n PRO 233 N -0.47 0.66 -4.89 4.82 -0.02 -1.26 -2.94 135.00 130.91 2pkr n PRO 233 Ca -0.07 -0.34 -0.26 0.00 -2.02 0.00 0.00 63.50 60.82 2pkr n PRO 233 Cb 0.62 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.27 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 2.39 1.46 -0.31 3.45 -4.23 -1.26 -5.00 115.64 112.13 2pkr s THR 234 Ca 0.22 -0.78 0.27 0.00 -1.18 0.00 0.00 61.69 60.22 2pkr s THR 234 Cb 0.10 -1.22 0.30 0.00 1.34 0.00 0.00 72.50 73.02 2pkr s THR 234 CO -0.00 0.41 1.80 1.55 -0.54 0.00 0.00 174.62 177.84 2pkr h PRO 235 N 5.79 0.00 -1.26 3.99 0.13 -1.87 -1.43 132.00 137.35 2pkr h PRO 235 Ca -0.37 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2pkr h PRO 235 Cb 1.15 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.00 2pkr h PRO 235 CO 0.48 0.00 0.76 1.21 -0.23 0.00 0.00 178.00 180.23 2pkr s ASN 236 N -4.80 -0.18 0.00 1.44 2.47 -1.26 -4.69 114.94 107.92 2pkr s ASN 236 Ca 0.04 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.59 2pkr s ASN 236 Cb 0.09 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2pkr s ASN 236 CO 0.47 -0.12 0.00 0.52 -3.72 0.00 0.00 177.10 174.25 2pkr n VAL 237 N 1.12 -0.05 -4.35 -5.21 0.31 -1.26 -4.89 118.33 104.00 2pkr n VAL 237 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.06 2pkr n VAL 237 Cb 0.58 -0.05 -0.09 0.00 -0.91 0.00 0.00 33.84 33.37 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 -0.06 1.70 -0.12 4.52 0.01 0.05 -3.64 113.70 116.16 2pkr s SER 238 Ca 0.00 -1.60 -0.11 0.00 1.31 0.00 0.00 55.95 55.55 2pkr s SER 238 Cb 0.00 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.69 2pkr s SER 238 CO 0.00 -0.92 0.32 0.54 0.41 0.00 0.00 173.24 173.59 2pkr s VAL 239 N -3.54 -0.00 -0.09 3.43 0.11 -0.57 -1.61 120.40 118.13 2pkr s VAL 239 Ca 0.35 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 2pkr s VAL 239 Cb 0.04 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2pkr s VAL 239 CO 0.19 0.00 0.01 -0.69 -3.33 0.00 0.00 175.10 171.28 2pkr s VAL 240 N 0.23 4.37 -0.31 2.04 1.01 0.06 -1.25 120.40 126.56 2pkr s VAL 240 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2pkr s VAL 240 Cb -0.03 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.55 2pkr s VAL 240 CO -0.00 0.60 0.03 -0.62 0.00 0.00 0.00 175.10 175.10 2pkr s ASP 241 N -0.83 4.99 -0.11 3.32 2.15 0.09 -1.43 116.67 124.85 2pkr s ASP 241 Ca 0.13 -1.22 0.01 0.00 0.43 0.00 0.00 52.55 51.89 2pkr s ASP 241 Cb -0.11 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.73 2pkr s ASP 241 CO 0.02 -0.27 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.40 2pkr s LEU 242 N 1.30 2.74 -0.09 -1.34 1.98 -0.61 -0.66 118.68 122.00 2pkr s LEU 242 Ca -0.04 -0.29 0.03 0.00 -2.89 0.00 0.00 54.13 50.94 2pkr s LEU 242 Cb -0.20 -1.60 0.01 0.00 0.66 0.00 0.00 46.19 45.06 2pkr s LEU 242 CO -0.00 0.21 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.81 2pkr s VAL 243 N 0.07 1.52 -0.03 1.68 1.01 -0.35 -0.34 120.40 123.97 2pkr s VAL 243 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2pkr s VAL 243 Cb -0.15 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2pkr s VAL 243 CO 0.04 0.44 0.11 0.68 0.00 0.00 0.00 175.10 176.37 2pkr s VAL 244 N 0.64 0.03 -0.10 2.92 -7.23 -0.56 -0.50 120.40 115.60 2pkr s VAL 244 Ca -0.14 -0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.63 2pkr s VAL 244 Cb -0.16 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.49 2pkr s VAL 244 CO 0.04 -0.14 0.39 -1.58 -0.31 0.00 0.00 175.10 173.50 2pkr s GLN 245 N -0.42 4.18 0.23 4.82 0.74 -0.14 -0.15 119.66 128.91 2pkr s GLN 245 Ca -0.05 0.30 0.10 0.00 0.05 0.00 0.00 55.36 55.76 2pkr s GLN 245 Cb -0.03 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2pkr s GLN 245 CO 0.00 0.34 -0.08 0.14 -0.55 0.00 0.00 175.29 175.15 2pkr s VAL 246 N 0.08 3.15 -0.05 1.34 -7.23 0.00 -1.01 120.40 116.68 2pkr s VAL 246 Ca 0.22 -1.91 0.12 0.00 -1.81 0.00 0.00 61.98 58.61 2pkr s VAL 246 Cb -0.15 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2pkr s VAL 246 CO 0.09 -0.27 1.40 0.77 -0.31 0.00 0.00 175.10 176.78 2pkr h SER 247 N 2.37 0.00 -3.77 4.85 4.64 0.44 -3.44 113.55 118.64 2pkr h SER 247 Ca -0.44 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.22 2pkr h SER 247 Cb 1.23 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.13 2pkr h SER 247 CO 0.58 0.66 -0.55 -1.59 -0.87 0.00 0.00 176.83 175.06 2pkr s LYS 248 N -2.91 3.71 0.47 4.77 -2.85 -0.64 -5.05 119.74 117.24 2pkr s LYS 248 Ca 0.03 -0.47 -0.22 0.00 -1.00 0.00 0.00 55.97 54.30 2pkr s LYS 248 Cb 0.09 -3.58 -0.09 0.00 -2.06 0.00 0.00 37.83 32.18 2pkr s LYS 248 CO 0.77 -0.26 0.90 1.63 0.10 0.00 0.00 175.35 178.49 2pkr n LYS 249 N 5.02 1.10 -1.00 1.78 5.02 -1.26 -4.88 118.16 123.94 2pkr n LYS 249 Ca -0.14 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2pkr n LYS 249 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.88 0.00 -3.88 -0.18 5.66 0.10 -5.01 114.28 110.09 2pkr n THR 250 Ca 0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 2pkr n THR 250 Cb 0.41 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.11 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 -8.89 0.12 0.25 1.09 -0.71 -1.26 -4.60 117.98 103.98 2pkr s PHE 251 Ca 0.00 -0.38 -0.09 0.00 -1.04 0.00 0.00 56.93 55.42 2pkr s PHE 251 Cb 0.00 -0.08 0.40 0.00 -1.21 0.00 0.00 43.02 42.13 2pkr s PHE 251 CO 0.00 -0.40 1.60 0.00 -1.34 0.00 0.00 175.22 175.08 2pkr h ALA 252 N 3.56 0.64 -0.22 1.99 0.00 -1.87 -1.30 119.26 122.06 2pkr h ALA 252 Ca -0.32 0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2pkr h ALA 252 Cb 1.19 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2pkr h ALA 252 CO 0.49 -0.42 -0.22 0.93 0.00 0.00 0.00 179.25 180.03 2pkr h GLU 253 N 0.02 0.40 -0.42 0.00 4.39 -1.96 -0.67 114.58 116.35 2pkr h GLU 253 Ca 0.42 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.84 2pkr h GLU 253 Cb 0.68 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2pkr h GLU 253 CO -0.82 0.61 -0.27 1.49 -1.16 0.00 0.00 179.01 178.86 2pkr h GLU 254 N 0.36 0.90 -0.35 2.33 4.81 -1.78 -1.35 114.58 119.52 2pkr h GLU 254 Ca 0.06 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 2pkr h GLU 254 Cb 0.60 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2pkr h GLU 254 CO 0.04 1.06 0.18 0.28 -0.73 0.00 0.00 179.01 179.84 2pkr h VAL 255 N 0.77 1.15 -0.73 0.32 2.07 -0.75 -1.47 116.25 117.61 2pkr h VAL 255 Ca 0.09 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2pkr h VAL 255 Cb 0.83 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2pkr h VAL 255 CO 0.07 0.15 0.47 0.78 0.02 0.00 0.00 177.57 179.06 2pkr h ASN 256 N 0.43 0.79 -0.17 0.57 -0.26 -0.97 -2.20 115.58 113.76 2pkr h ASN 256 Ca 0.12 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.89 2pkr h ASN 256 Cb 0.07 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.11 2pkr h ASN 256 CO -0.02 0.55 -0.09 0.00 -1.06 0.00 0.00 177.43 176.81 2pkr h ALA 257 N 1.30 0.05 -0.83 -0.83 0.00 -0.92 -0.61 119.26 117.41 2pkr h ALA 257 Ca 0.28 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.41 2pkr h ALA 257 Cb -0.03 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 2pkr h ALA 257 CO -0.09 -0.53 0.41 0.00 0.00 0.00 0.00 179.25 179.04 2pkr h ALA 258 N 1.06 1.25 -0.34 0.00 0.00 -0.67 0.98 119.26 121.54 2pkr h ALA 258 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2pkr h ALA 258 Cb 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pkr h ALA 258 CO -0.23 -0.13 -0.23 0.74 0.00 0.00 0.00 179.25 179.40 2pkr h PHE 259 N 0.57 0.75 -0.26 0.00 0.04 -0.83 -2.63 116.94 114.57 2pkr h PHE 259 Ca 0.46 -0.17 -0.12 0.00 2.80 0.00 0.00 57.97 60.95 2pkr h PHE 259 Cb 0.68 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2pkr h PHE 259 CO -0.11 0.84 -0.33 0.00 -0.60 0.00 0.00 178.31 178.11 2pkr h ARG 260 N 0.58 0.55 0.35 1.51 3.08 0.52 -0.27 114.38 120.69 2pkr h ARG 260 Ca 0.08 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2pkr h ARG 260 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2pkr h ARG 260 CO 0.05 0.81 -0.23 1.49 -1.07 0.00 0.00 179.97 181.03 2pkr h GLU 261 N 0.47 -0.54 -0.91 0.04 4.22 -0.66 -1.30 114.58 115.91 2pkr h GLU 261 Ca 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 2pkr h GLU 261 Cb 0.80 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 2pkr h GLU 261 CO 0.06 -0.36 0.51 0.77 -2.18 0.00 0.00 179.01 177.82 2pkr h SER 262 N -0.56 1.12 -0.27 1.04 0.02 -1.40 -2.29 113.55 111.22 2pkr h SER 262 Ca -0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2pkr h SER 262 Cb 0.47 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2pkr h SER 262 CO 0.03 0.89 0.13 0.00 -1.14 0.00 0.00 176.83 176.74 2pkr h ALA 263 N 1.30 1.65 -0.01 3.77 0.00 -0.72 0.20 119.26 125.45 2pkr h ALA 263 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pkr h ALA 263 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pkr h ALA 263 CO -0.05 0.28 -0.19 -0.25 0.00 0.00 0.00 179.25 179.03 2pkr n ASP 264 N -4.42 0.96 0.00 0.00 8.00 -0.52 -3.15 116.55 117.42 2pkr n ASP 264 Ca 0.02 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2pkr n ASP 264 Cb 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.62 0.00 0.28 -2.24 3.02 -0.54 -4.82 115.26 110.34 2pkr n ASN 265 Ca 0.14 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.85 2pkr n ASN 265 Cb 0.33 0.00 0.92 0.00 -0.61 0.00 0.00 39.78 40.43 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 -0.29 3.52 9.09 -1.80 -2.51 114.58 122.58 2pkr h GLU 266 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 2pkr h GLU 266 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 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 3.96 -4.73 3.06 4.77 0.59 -4.99 117.00 115.91 2pkr n LEU 267 Ca -0.02 -3.26 -0.42 0.00 -0.03 0.00 0.00 56.01 52.29 2pkr n LEU 267 Cb 0.15 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2pkr n LEU 267 CO 0.26 0.85 1.30 -0.75 -1.33 0.00 0.00 177.39 177.73 2pkr s LYS 268 N -2.97 4.14 0.00 3.23 2.20 -0.95 -1.04 119.74 124.35 2pkr s LYS 268 Ca 0.43 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.60 2pkr s LYS 268 Cb 0.36 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2pkr s LYS 268 CO 0.06 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 2pkr n GLY 269 N 3.21 1.47 0.39 5.54 0.00 -1.26 -4.78 105.19 109.75 2pkr n GLY 269 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 0.09 -5.14 -0.61 2.08 -0.21 -4.30 119.36 109.28 2pkr n ILE 270 Ca 0.00 -0.03 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 2pkr n ILE 270 Cb 0.00 -0.95 -0.16 0.00 -0.75 0.00 0.00 39.64 37.79 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 -5.50 2.05 0.15 1.39 2.96 -0.30 0.01 118.68 119.45 2pkr s LEU 271 Ca -0.02 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2pkr s LEU 271 Cb 0.01 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 2pkr s LEU 271 CO 0.03 0.28 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.88 2pkr s SER 272 N -0.60 1.27 -0.12 3.68 0.01 -0.35 -4.58 113.70 113.03 2pkr s SER 272 Ca 0.09 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2pkr s SER 272 Cb -0.09 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2pkr s SER 272 CO -0.01 -0.50 -0.10 -0.69 0.41 0.00 0.00 173.24 172.35 2pkr s VAL 273 N -3.60 1.17 -0.20 3.43 1.01 -1.26 -1.24 120.40 119.70 2pkr s VAL 273 Ca 0.19 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2pkr s VAL 273 Cb 0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2pkr s VAL 273 CO 0.01 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.52 2pkr n ASP 275 N 4.16 3.34 -4.84 0.00 8.00 -1.26 -2.19 116.55 123.76 2pkr n ASP 275 Ca -0.17 -2.00 -0.35 0.00 0.71 0.00 0.00 54.79 52.99 2pkr n ASP 275 Cb 0.52 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.65 4.00 -1.29 -1.24 0.41 -1.26 -4.83 118.70 112.84 2pkr s GLU 276 Ca 0.36 0.53 -0.17 0.00 -0.41 0.00 0.00 54.97 55.28 2pkr s GLU 276 Cb 0.22 -2.86 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2pkr s GLU 276 CO 0.31 0.43 2.00 -0.35 -0.49 0.00 0.00 175.26 177.17 2pkr n PRO 277 N 0.62 2.68 -2.93 0.39 -0.04 -1.26 -4.95 135.00 129.51 2pkr n PRO 277 Ca -0.04 -2.71 -0.18 0.00 -0.04 0.00 0.00 63.50 60.53 2pkr n PRO 277 Cb 0.52 -3.35 0.03 0.00 -0.04 0.00 0.00 33.50 30.66 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 3.49 3.46 0.32 1.53 1.43 -1.26 -5.13 118.68 122.52 2pkr s LEU 278 Ca 0.52 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2pkr s LEU 278 Cb 0.10 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 2pkr s LEU 278 CO 0.01 -0.98 -0.06 0.68 0.23 0.00 0.00 176.35 176.23 2pkr s VAL 279 N -2.52 1.85 0.30 -1.59 -7.23 -1.26 -5.05 120.40 104.91 2pkr s VAL 279 Ca 0.57 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2pkr s VAL 279 Cb -0.09 -2.60 0.38 0.00 0.56 0.00 0.00 36.38 34.63 2pkr s VAL 279 CO 0.36 -0.21 1.46 -1.54 -0.31 0.00 0.00 175.10 174.85 2pkr n SER 280 N -0.70 -0.02 0.15 4.85 3.41 -1.26 -1.00 113.62 119.05 2pkr n SER 280 Ca -0.05 1.57 0.12 0.00 -0.26 0.00 0.00 58.87 60.25 2pkr n SER 280 Cb 0.64 -0.61 0.64 0.00 -0.26 0.00 0.00 64.21 64.62 2pkr n SER 280 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2pkr h ILE 281 N 0.00 0.91 0.00 -1.33 6.09 -1.97 -1.47 117.51 119.75 2pkr h ILE 281 Ca 0.61 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 64.09 2pkr h ILE 281 Cb 1.36 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2pkr h ILE 281 CO -0.84 0.01 0.00 0.44 -3.07 0.00 0.00 178.15 174.69 2pkr h ASP 282 N 0.05 0.00 -0.49 2.19 3.32 -1.48 -2.53 116.42 117.47 2pkr h ASP 282 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pkr h ASP 282 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2pkr h ASP 282 CO -0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.00 2pkr n PHE 283 N -2.56 0.65 -2.08 4.55 3.72 -0.55 -4.94 117.46 116.25 2pkr n PHE 283 Ca 0.01 -0.32 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 2pkr n PHE 283 Cb 0.24 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.35 4.33 -1.46 -1.08 0.52 -0.96 -2.81 118.95 116.14 2pkr s ARG 284 Ca 0.41 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 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 0.30 -0.25 0.00 0.00 0.02 0.00 0.00 175.30 175.38 2pkr s THR 286 N -2.73 4.69 0.12 0.00 -4.23 -1.12 -4.97 115.64 107.39 2pkr s THR 286 Ca 0.00 1.53 0.17 0.00 -1.18 0.00 0.00 61.69 62.21 2pkr s THR 286 Cb 0.00 -4.06 0.10 0.00 1.34 0.00 0.00 72.50 69.88 2pkr s THR 286 CO 0.00 0.43 1.66 0.44 -0.54 0.00 0.00 174.62 176.61 2pkr h ASP 287 N 5.25 0.00 -3.94 3.99 3.32 -1.92 -3.34 116.42 119.77 2pkr h ASP 287 Ca -0.45 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.11 2pkr h ASP 287 Cb 1.21 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.93 2pkr h ASP 287 CO 0.69 0.44 0.19 0.68 -1.72 0.00 0.00 179.24 179.51 2pkr s VAL 288 N -3.46 2.38 -0.07 -1.35 -7.23 -1.26 -4.76 120.40 104.65 2pkr s VAL 288 Ca 0.01 0.12 0.14 0.00 -1.81 0.00 0.00 61.98 60.44 2pkr s VAL 288 Cb 0.10 -2.37 -0.15 0.00 0.56 0.00 0.00 36.38 34.52 2pkr s VAL 288 CO 0.71 -0.16 0.90 0.28 -0.31 0.00 0.00 175.10 176.52 2pkr h SER 289 N -1.88 0.00 -3.74 4.85 0.02 -0.64 -3.43 113.55 108.72 2pkr h SER 289 Ca -0.50 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.34 2pkr h SER 289 Cb 1.29 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.59 2pkr h SER 289 CO 0.50 0.76 -0.20 -0.55 -1.14 0.00 0.00 176.83 176.19 2pkr s SER 290 N -6.08 -0.49 -0.18 3.07 0.15 -0.89 -4.06 113.70 105.21 2pkr s SER 290 Ca -0.02 0.92 -0.02 0.00 0.70 0.00 0.00 55.95 57.53 2pkr s SER 290 Cb 0.08 0.90 0.05 0.00 -1.71 0.00 0.00 66.02 65.35 2pkr s SER 290 CO 0.81 -0.17 0.01 -0.89 1.20 0.00 0.00 173.24 174.20 2pkr s THR 291 N 0.50 0.71 0.29 6.45 2.01 -0.20 -1.21 115.64 124.19 2pkr s THR 291 Ca -0.02 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2pkr s THR 291 Cb -0.04 -1.10 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 2pkr s THR 291 CO -0.03 -0.09 1.19 -0.63 -0.69 0.00 0.00 174.62 174.38 2pkr s ILE 292 N 1.79 3.18 -0.74 1.82 -1.09 -0.37 0.30 121.20 126.09 2pkr s ILE 292 Ca -0.01 1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 59.45 2pkr s ILE 292 Cb -0.16 -3.74 0.19 0.00 -1.58 0.00 0.00 42.46 37.17 2pkr s ILE 292 CO -0.07 0.27 0.66 -0.62 -1.23 0.00 0.00 174.94 173.95 2pkr s ASP 293 N -0.61 6.46 0.24 3.58 -1.08 -0.21 -0.50 116.67 124.55 2pkr s ASP 293 Ca 0.47 -2.49 -0.05 0.00 -0.52 0.00 0.00 52.55 49.96 2pkr s ASP 293 Cb -0.35 -2.17 0.45 0.00 -1.46 0.00 0.00 42.92 39.39 2pkr s ASP 293 CO 0.45 -0.62 1.69 0.77 0.52 0.00 0.00 175.17 177.99 2pkr h SER 294 N 7.96 0.04 0.29 -0.34 4.64 -1.73 -2.21 113.55 122.19 2pkr h SER 294 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2pkr h SER 294 Cb 1.05 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2pkr h SER 294 CO 0.81 -0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.21 2pkr n SER 295 N -5.14 0.00 0.00 4.97 3.41 -1.26 -2.28 113.62 113.32 2pkr n SER 295 Ca 0.14 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 2pkr n SER 295 Cb 0.45 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.36 0.80 -4.71 1.04 4.77 -0.83 -4.95 117.00 111.77 2pkr n LEU 296 Ca 0.05 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 2pkr n LEU 296 Cb 0.11 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2pkr n LEU 296 CO 0.10 0.19 1.30 -0.89 -1.33 0.00 0.00 177.39 176.76 2pkr s THR 297 N -3.08 2.56 0.17 -5.08 2.01 -0.96 -4.73 115.64 106.53 2pkr s THR 297 Ca 0.06 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2pkr s THR 297 Cb 0.16 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 2pkr s THR 297 CO 0.86 0.02 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.67 2pkr s MET 298 N 1.58 1.16 -0.06 4.92 -1.94 -0.84 -4.81 119.30 119.30 2pkr s MET 298 Ca 0.73 -1.52 -0.03 0.00 -1.71 0.00 0.00 55.69 53.16 2pkr s MET 298 Cb -0.45 -0.70 0.04 0.00 2.01 0.00 0.00 34.83 35.73 2pkr s MET 298 CO 0.32 0.06 0.12 0.08 -0.01 0.00 0.00 175.02 175.59 2pkr s VAL 299 N -3.29 -0.19 0.05 -6.03 1.01 -1.26 -0.81 120.40 109.88 2pkr s VAL 299 Ca 0.20 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2pkr s VAL 299 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2pkr s VAL 299 CO 0.03 0.16 -0.01 -0.04 0.00 0.00 0.00 175.10 175.24 2pkr s MET 300 N 2.19 2.63 -0.71 2.72 -1.94 -0.13 -4.59 119.30 119.47 2pkr s MET 300 Ca 0.03 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 2pkr s MET 300 Cb -0.12 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.14 2pkr s MET 300 CO -0.05 0.58 0.00 0.41 -0.01 0.00 0.00 175.02 175.95 2pkr n GLY 301 N 1.00 -0.43 4.64 -0.03 0.00 -1.26 -1.24 105.19 107.87 2pkr n GLY 301 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.61 0.00 0.00 1.61 8.00 -1.26 -4.46 116.55 118.83 2pkr n ASP 302 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2pkr n ASP 302 Cb 0.56 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.01 0.78 -4.30 -2.24 5.68 -1.10 0.03 116.55 115.41 2pkr n ASP 303 Ca 0.00 -1.09 -0.42 0.00 -0.50 0.00 0.00 54.79 52.78 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 -0.09 2.75 -0.23 0.11 1.75 -0.37 -0.82 119.30 122.40 2pkr s MET 304 Ca 0.00 -1.51 -0.12 0.00 -1.25 0.00 0.00 55.69 52.81 2pkr s MET 304 Cb 0.00 -3.98 -0.05 0.00 2.84 0.00 0.00 34.83 33.64 2pkr s MET 304 CO 0.00 -1.07 0.25 0.08 -0.65 0.00 0.00 175.02 173.63 2pkr s VAL 305 N 1.51 5.29 -0.21 10.11 1.01 0.79 -0.95 120.40 137.94 2pkr s VAL 305 Ca 0.04 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 2pkr s VAL 305 Cb -0.25 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2pkr s VAL 305 CO 0.03 0.30 -0.02 -0.75 0.00 0.00 0.00 175.10 174.66 2pkr s LYS 306 N 1.26 3.48 -0.06 2.72 2.20 0.01 -1.50 119.74 127.84 2pkr s LYS 306 Ca 0.12 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 2pkr s LYS 306 Cb -0.14 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2pkr s LYS 306 CO 0.06 -0.12 -0.23 0.08 -0.36 0.00 0.00 175.35 174.79 2pkr s VAL 307 N 1.31 1.88 -0.19 4.02 1.01 0.54 -1.99 120.40 126.97 2pkr s VAL 307 Ca 0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2pkr s VAL 307 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2pkr s VAL 307 CO -0.01 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 174.95 2pkr s ILE 308 N 0.02 3.61 -0.03 2.22 -1.09 -1.26 -1.57 121.20 123.10 2pkr s ILE 308 Ca -0.07 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 2pkr s ILE 308 Cb -0.14 -2.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 2pkr s ILE 308 CO 0.04 0.46 -0.06 0.00 -1.23 0.00 0.00 174.94 174.15 2pkr s ALA 309 N 0.91 0.67 0.34 9.38 0.00 -0.52 -1.05 121.76 131.49 2pkr s ALA 309 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2pkr s ALA 309 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2pkr s ALA 309 CO 0.01 0.06 0.60 -1.58 0.00 0.00 0.00 175.76 174.85 2pkr s TRP 310 N 0.47 3.50 -0.27 0.00 0.52 0.15 -0.76 118.94 122.54 2pkr s TRP 310 Ca -0.06 0.60 -0.24 0.00 0.02 0.00 0.00 56.10 56.42 2pkr s TRP 310 Cb -0.10 -2.09 0.07 0.00 -1.15 0.00 0.00 33.47 30.21 2pkr s TRP 310 CO 0.00 0.08 0.74 1.52 0.02 0.00 0.00 176.95 179.32 2pkr s TYR 311 N -2.26 -0.78 -0.81 -1.98 1.13 -0.63 -1.03 117.35 110.98 2pkr s TYR 311 Ca 0.44 1.88 -0.21 0.00 -1.41 0.00 0.00 57.07 57.77 2pkr s TYR 311 Cb -0.10 0.30 0.10 0.00 -1.10 0.00 0.00 41.96 41.15 2pkr s TYR 311 CO 0.34 -0.38 1.08 0.34 -2.51 0.00 0.00 175.55 174.42 2pkr s ASP 312 N 0.46 6.40 0.60 -0.18 -1.08 -1.26 -0.77 116.67 120.84 2pkr s ASP 312 Ca -0.00 -1.49 0.29 0.00 -0.52 0.00 0.00 52.55 50.82 2pkr s ASP 312 Cb -0.05 -2.42 1.57 0.00 -1.46 0.00 0.00 42.92 40.56 2pkr s ASP 312 CO -0.01 -1.28 1.97 -0.55 0.52 0.00 0.00 175.17 175.82 2pkr h ASN 313 N 9.27 0.00 0.00 -0.34 -1.07 -1.91 -0.36 115.58 121.17 2pkr h ASN 313 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.32 2pkr h ASN 313 Cb 1.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 2pkr h ASN 313 CO 1.17 0.00 -0.43 -0.62 0.07 0.00 0.00 177.43 177.62 2pkr n GLU 314 N -3.59 0.37 -0.05 4.14 1.02 -1.26 -4.18 120.64 117.09 2pkr n GLU 314 Ca 0.04 0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 2pkr n GLU 314 Cb 0.50 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.82 0.33 -0.73 -0.32 2.91 -1.91 -2.01 115.95 113.39 2pkr h TRP 315 Ca 0.00 -0.09 -0.04 0.00 1.13 0.00 0.00 58.89 59.89 2pkr h TRP 315 Cb 0.43 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 2pkr h TRP 315 CO -0.19 0.66 0.29 0.78 -1.03 0.00 0.00 178.44 178.96 2pkr h GLY 316 N -0.10 1.17 1.11 2.65 0.00 -1.18 -0.82 103.07 105.90 2pkr h GLY 316 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 2pkr h GLY 316 CO 0.02 0.60 0.00 -1.82 0.00 0.00 0.00 176.54 175.35 2pkr h TYR 317 N 1.05 1.15 -0.39 5.60 3.20 -1.57 -2.40 116.97 123.60 2pkr h TYR 317 Ca 0.24 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2pkr h TYR 317 Cb 0.21 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2pkr h TYR 317 CO 0.02 1.01 0.05 0.77 -1.64 0.00 0.00 178.16 178.37 2pkr h SER 318 N 0.97 0.56 0.04 -2.11 0.02 -1.02 -0.85 113.55 111.16 2pkr h SER 318 Ca 0.17 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2pkr h SER 318 Cb 0.56 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2pkr h SER 318 CO 0.03 0.59 -0.14 1.56 -1.14 0.00 0.00 176.83 177.73 2pkr h GLN 319 N 0.58 0.22 -0.02 3.45 1.08 -0.66 -1.22 115.11 118.54 2pkr h GLN 319 Ca 0.13 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.11 2pkr h GLN 319 Cb 0.29 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2pkr h GLN 319 CO 0.00 0.37 -0.73 0.00 -0.95 0.00 0.00 178.83 177.53 2pkr h ARG 320 N 0.21 0.14 -0.64 1.46 2.47 -0.89 -1.35 114.38 115.78 2pkr h ARG 320 Ca 0.04 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 2pkr h ARG 320 Cb 0.38 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2pkr h ARG 320 CO 0.02 0.80 0.06 0.28 0.56 0.00 0.00 179.97 181.70 2pkr h VAL 321 N 0.09 1.26 -0.57 2.04 2.07 -0.35 0.21 116.25 121.01 2pkr h VAL 321 Ca -0.02 -1.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 2pkr h VAL 321 Cb 1.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2pkr h VAL 321 CO 0.11 0.40 -0.04 0.58 0.02 0.00 0.00 177.57 178.64 2pkr h VAL 322 N 1.01 1.27 -0.73 2.57 2.07 -1.10 -0.91 116.25 120.43 2pkr h VAL 322 Ca 0.19 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 2pkr h VAL 322 Cb 0.49 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2pkr h VAL 322 CO 0.02 0.42 0.26 0.44 0.02 0.00 0.00 177.57 178.73 2pkr h ASP 323 N 0.91 1.02 0.32 0.57 3.32 -0.75 0.40 116.42 122.22 2pkr h ASP 323 Ca 0.16 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2pkr h ASP 323 Cb 0.59 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2pkr h ASP 323 CO 0.04 0.93 -0.67 0.25 -1.72 0.00 0.00 179.24 178.06 2pkr h LEU 324 N 1.07 0.37 -0.79 1.55 5.85 -0.77 -2.29 115.31 120.29 2pkr h LEU 324 Ca 0.24 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2pkr h LEU 324 Cb 0.25 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2pkr h LEU 324 CO -0.01 0.93 -0.22 0.00 -0.34 0.00 0.00 178.44 178.80 2pkr h ALA 325 N 1.06 0.97 -0.35 1.25 0.00 -0.78 -1.85 119.26 119.56 2pkr h ALA 325 Ca -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2pkr h ALA 325 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2pkr h ALA 325 CO 0.11 0.60 0.06 -0.44 0.00 0.00 0.00 179.25 179.58 2pkr h ASP 326 N 0.59 0.47 -0.18 0.00 3.32 -0.59 -1.40 116.42 118.63 2pkr h ASP 326 Ca 0.08 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 2pkr h ASP 326 Cb 0.70 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2pkr h ASP 326 CO 0.05 0.50 -0.58 0.40 -1.72 0.00 0.00 179.24 177.89 2pkr h ILE 327 N 0.50 1.29 -0.76 0.35 2.04 -0.97 -1.16 117.51 118.80 2pkr h ILE 327 Ca 0.12 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2pkr h ILE 327 Cb 0.23 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 2pkr h ILE 327 CO 0.00 0.57 0.48 0.58 0.00 0.00 0.00 178.15 179.79 2pkr h VAL 328 N 0.59 1.21 -0.26 1.67 2.07 -0.63 -1.20 116.25 119.70 2pkr h VAL 328 Ca 0.00 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 2pkr h VAL 328 Cb 1.18 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2pkr h VAL 328 CO 0.12 0.21 -0.40 0.00 0.02 0.00 0.00 177.57 177.52 2pkr h ALA 329 N 1.26 0.83 0.00 1.67 0.00 -1.15 -2.54 119.26 119.33 2pkr h ALA 329 Ca 0.28 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2pkr h ALA 329 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pkr h ALA 329 CO -0.06 0.65 -0.35 -0.91 0.00 0.00 0.00 179.25 178.58 2pkr h ASN 330 N 0.50 0.00 -0.53 0.00 -0.26 -0.67 -3.06 115.58 111.55 2pkr h ASN 330 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2pkr h ASN 330 Cb 0.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 2pkr h ASN 330 CO 0.08 0.35 0.00 0.29 -1.06 0.00 0.00 177.43 177.09 2pkr n LYS 331 N -3.51 3.03 -1.98 0.81 4.76 -0.50 -4.99 118.16 115.78 2pkr n LYS 331 Ca -0.00 -2.50 -0.42 0.00 -2.87 0.00 0.00 58.31 52.52 2pkr n LYS 331 Cb 0.50 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.36 3.02 -0.68 2.13 -0.11 -0.96 -4.50 118.94 116.48 2pkr s TRP 332 Ca 0.39 0.90 0.03 0.00 1.22 0.00 0.00 56.10 58.65 2pkr s TRP 332 Cb 0.23 -3.86 0.17 0.00 -1.50 0.00 0.00 33.47 28.51 2pkr s TRP 332 CO 0.22 -2.91 0.47 -0.65 -4.62 0.00 0.00 176.95 169.46 2pkr s GLN 333 N 0.08 2.46 0.00 5.86 -0.21 -1.26 -5.09 119.66 121.49 2pkr s GLN 333 Ca 0.63 -3.12 0.00 0.00 0.02 0.00 0.00 55.36 52.88 2pkr s GLN 333 Cb -0.43 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.10 2pkr s GLN 333 CO 0.40 -1.23 0.41 0.41 -2.12 0.00 0.00 175.29 173.16