#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 3.73 -0.34 -0.35 2.96 -0.95 -4.92 118.68 118.81 2pkr s LEU 1 Ca 0.00 0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 54.49 2pkr s LEU 1 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.17 2pkr s LEU 1 CO 0.00 -1.22 1.10 -0.54 -1.32 0.00 0.00 176.35 174.37 2pkr s LYS 2 N 4.43 4.01 -0.05 1.98 1.02 -1.26 -1.20 119.74 128.67 2pkr s LYS 2 Ca 0.54 1.01 0.02 0.00 0.02 0.00 0.00 55.97 57.56 2pkr s LYS 2 Cb -0.13 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 2pkr s LYS 2 CO 0.28 -0.98 -0.07 0.08 -0.92 0.00 0.00 175.35 173.73 2pkr s VAL 3 N 3.80 3.64 -0.04 3.17 1.01 0.10 -1.14 120.40 130.94 2pkr s VAL 3 Ca 0.46 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2pkr s VAL 3 Cb -0.12 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2pkr s VAL 3 CO 0.18 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.62 2pkr s ALA 4 N -0.85 1.82 -0.26 5.51 0.00 -0.25 -0.91 121.76 126.82 2pkr s ALA 4 Ca 0.13 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2pkr s ALA 4 Cb -0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2pkr s ALA 4 CO 0.03 0.36 0.11 0.42 0.00 0.00 0.00 175.76 176.67 2pkr s ILE 5 N -0.14 4.61 -0.35 0.00 1.01 -0.52 -0.50 121.20 125.30 2pkr s ILE 5 Ca -0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 2pkr s ILE 5 Cb -0.12 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2pkr s ILE 5 CO 0.02 0.31 0.18 0.21 0.00 0.00 0.00 174.94 175.67 2pkr s ASN 6 N 1.65 5.64 0.00 3.58 2.47 -0.19 -0.58 114.94 127.52 2pkr s ASN 6 Ca 0.07 -0.84 0.00 0.00 0.42 0.00 0.00 52.86 52.51 2pkr s ASN 6 Cb -0.15 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 2pkr s ASN 6 CO 0.06 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 2pkr n GLY 7 N 4.98 -0.53 2.45 1.21 0.00 -0.78 -1.13 105.19 111.41 2pkr n GLY 7 Ca -0.13 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 0.18 2.50 -1.17 1.61 7.35 -1.25 -4.06 117.46 122.62 2pkr n PHE 8 Ca 0.00 -2.80 0.00 0.00 -0.76 0.00 0.00 57.45 53.89 2pkr n PHE 8 Cb 0.00 -1.89 0.00 0.00 0.35 0.00 0.00 39.48 37.94 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 1.91 1.84 0.18 7.13 0.00 -1.26 -4.62 105.19 110.37 2pkr n GLY 9 Ca 0.64 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.10 -0.32 1.61 2.47 -1.92 0.20 114.38 116.33 2pkr h ARG 10 Ca 0.00 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2pkr h ARG 10 Cb 0.00 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2pkr h ARG 10 CO 0.00 -0.07 -0.36 0.82 0.56 0.00 0.00 179.97 180.92 2pkr h ILE 11 N -0.10 1.29 -0.90 2.04 1.08 -1.90 0.06 117.51 119.07 2pkr h ILE 11 Ca 0.13 -1.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.06 2pkr h ILE 11 Cb 0.29 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 2pkr h ILE 11 CO -0.30 0.50 0.59 1.23 -0.69 0.00 0.00 178.15 179.48 2pkr h GLY 12 N 0.58 1.27 0.85 5.37 0.00 -1.60 0.25 103.07 109.80 2pkr h GLY 12 Ca 0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.71 2pkr h GLY 12 CO 0.09 0.47 -0.71 3.21 0.00 0.00 0.00 176.54 179.60 2pkr h ARG 13 N 1.22 0.45 -0.99 4.80 3.08 -0.57 -2.39 114.38 119.98 2pkr h ARG 13 Ca 0.33 -0.51 0.09 0.00 0.07 0.00 0.00 59.98 59.96 2pkr h ARG 13 Cb -0.13 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 2pkr h ARG 13 CO -0.07 1.16 0.63 -0.91 -1.07 0.00 0.00 179.97 179.71 2pkr h ASN 14 N -0.05 0.97 0.38 7.04 2.35 -0.78 -1.50 115.58 124.00 2pkr h ASN 14 Ca -0.09 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2pkr h ASN 14 Cb 1.43 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2pkr h ASN 14 CO 0.14 0.58 -0.23 0.15 -1.65 0.00 0.00 177.43 176.41 2pkr h PHE 15 N 1.08 -0.62 -0.71 1.19 3.57 -0.44 0.33 116.94 121.35 2pkr h PHE 15 Ca 0.45 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.01 2pkr h PHE 15 Cb 0.29 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2pkr h PHE 15 CO -0.01 -0.36 0.40 1.25 -2.23 0.00 0.00 178.31 177.36 2pkr h LEU 16 N -0.59 0.60 -0.72 0.59 6.46 -0.99 0.25 115.31 120.90 2pkr h LEU 16 Ca -0.04 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.62 2pkr h LEU 16 Cb 0.49 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2pkr h LEU 16 CO 0.04 0.38 -0.45 0.03 -0.62 0.00 0.00 178.44 177.82 2pkr h ARG 17 N 0.73 0.43 -0.20 1.25 3.08 -1.00 0.80 114.38 119.47 2pkr h ARG 17 Ca 0.32 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2pkr h ARG 17 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2pkr h ARG 17 CO -0.20 0.80 0.08 0.00 -1.07 0.00 0.00 179.97 179.58 2pkr h TRP 18 N 0.17 1.07 -0.43 0.00 7.01 -0.38 -2.42 115.95 120.97 2pkr h TRP 18 Ca 0.07 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.08 2pkr h TRP 18 Cb 0.18 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 2pkr h TRP 18 CO -0.01 0.71 0.28 1.25 -2.79 0.00 0.00 178.44 177.88 2pkr h HIS 18 N 1.12 0.53 0.00 2.65 2.76 -0.67 -2.18 115.15 119.36 2pkr h HIS 18 Ca 0.30 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2pkr h HIS 18 Cb -0.06 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2pkr h HIS 18 CO -0.01 0.33 0.00 0.41 -1.30 0.00 0.00 177.93 177.37 2pkr n GLY 19 N -1.47 -1.34 3.82 5.26 0.00 -0.92 -4.85 105.19 105.69 2pkr n GLY 19 Ca 0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.97 4.21 -0.09 1.61 1.81 -0.82 -5.06 118.95 117.63 2pkr s ARG 20 Ca 0.13 1.09 -0.06 0.00 -1.72 0.00 0.00 55.73 55.17 2pkr s ARG 20 Cb 0.16 -2.19 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2pkr s ARG 20 CO 0.45 -0.03 0.15 0.15 -0.68 0.00 0.00 175.30 175.34 2pkr s LYS 21 N -3.19 3.43 -1.23 3.54 1.02 -1.26 -4.56 119.74 117.48 2pkr s LYS 21 Ca 0.62 -0.19 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 2pkr s LYS 21 Cb -0.09 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2pkr s LYS 21 CO 0.14 0.75 0.65 -0.25 -0.92 0.00 0.00 175.35 175.71 2pkr n ASP 22 N 1.71 -3.69 -4.76 2.83 8.00 -1.26 -4.91 116.55 114.47 2pkr n ASP 22 Ca -0.18 -1.12 -0.40 0.00 0.71 0.00 0.00 54.79 53.81 2pkr n ASP 22 Cb 0.54 -2.69 -0.05 0.00 -0.02 0.00 0.00 41.12 38.90 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 -3.70 7.43 0.00 -2.24 0.15 -1.26 -4.91 113.70 109.16 2pkr s SER 23 Ca 0.37 2.11 0.22 0.00 0.70 0.00 0.00 55.95 59.35 2pkr s SER 23 Cb -0.16 -2.62 1.04 0.00 -1.71 0.00 0.00 66.02 62.57 2pkr s SER 23 CO 0.91 -0.01 1.70 -0.81 1.20 0.00 0.00 173.24 176.23 2pkr n PRO 24 N 1.27 1.34 -4.17 5.44 -0.04 -1.26 -4.79 135.00 132.80 2pkr n PRO 24 Ca -0.01 -0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 62.60 2pkr n PRO 24 Cb 0.46 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 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 3.81 -0.27 1.53 1.43 -1.26 -2.24 118.68 120.03 2pkr s LEU 25 Ca 0.32 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2pkr s LEU 25 Cb 0.16 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.34 2pkr s LEU 25 CO 0.26 0.31 0.06 -0.62 0.23 0.00 0.00 176.35 176.58 2pkr s ASP 26 N -1.48 3.73 -0.48 2.29 2.15 -0.34 -4.68 116.67 117.86 2pkr s ASP 26 Ca 0.20 -1.37 -0.28 0.00 0.43 0.00 0.00 52.55 51.53 2pkr s ASP 26 Cb -0.12 -0.87 0.03 0.00 -0.30 0.00 0.00 42.92 41.66 2pkr s ASP 26 CO 0.10 -0.36 1.09 -0.69 -0.17 0.00 0.00 175.17 175.15 2pkr s VAL 27 N 1.62 4.26 -0.03 1.11 1.01 -1.26 0.02 120.40 127.13 2pkr s VAL 27 Ca 0.04 1.08 0.18 0.00 0.00 0.00 0.00 61.98 63.29 2pkr s VAL 27 Cb -0.17 -4.57 -0.28 0.00 0.00 0.00 0.00 36.38 31.35 2pkr s VAL 27 CO -0.17 -0.99 0.38 1.33 0.00 0.00 0.00 175.10 175.65 2pkr n VAL 28 N 6.74 0.05 -3.80 2.92 0.24 -0.09 -4.87 118.33 119.52 2pkr n VAL 28 Ca 0.10 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 2pkr n VAL 28 Cb 0.49 0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.22 0.09 -0.05 3.34 0.11 -1.22 -0.34 120.40 119.11 2pkr s VAL 29 Ca -0.07 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2pkr s VAL 29 Cb 0.11 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2pkr s VAL 29 CO 0.75 -0.42 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.43 2pkr s ILE 30 N -2.44 0.55 -0.48 7.04 1.01 0.55 -1.44 121.20 125.98 2pkr s ILE 30 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 2pkr s ILE 30 Cb -0.01 -0.60 0.06 0.00 0.01 0.00 0.00 42.46 41.91 2pkr s ILE 30 CO -0.03 0.24 0.53 0.21 0.00 0.00 0.00 174.94 175.90 2pkr s ASN 31 N 1.18 6.20 -0.26 3.58 2.47 0.26 -0.93 114.94 127.44 2pkr s ASN 31 Ca -0.07 -0.98 0.01 0.00 0.42 0.00 0.00 52.86 52.24 2pkr s ASN 31 Cb -0.14 -2.25 0.07 0.00 -1.45 0.00 0.00 41.25 37.48 2pkr s ASN 31 CO -0.01 -0.78 -0.04 -0.62 -3.72 0.00 0.00 177.10 171.93 2pkr s ASP 32 N 2.52 4.08 0.24 -4.21 -1.08 0.36 -1.86 116.67 116.73 2pkr s ASP 32 Ca 0.12 -1.35 0.21 0.00 -0.52 0.00 0.00 52.55 51.00 2pkr s ASP 32 Cb -0.20 -1.28 0.95 0.00 -1.46 0.00 0.00 42.92 40.93 2pkr s ASP 32 CO 0.11 -0.25 1.63 0.35 0.52 0.00 0.00 175.17 177.52 2pkr n THR 33 N 4.59 0.99 0.55 1.71 -2.24 -1.26 -1.86 114.28 116.77 2pkr n THR 33 Ca -0.10 0.42 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 2pkr n THR 33 Cb 0.43 -1.37 0.30 0.00 -2.10 0.00 0.00 70.33 67.59 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 1.35 0.00 0.00 3.38 0.00 -1.93 -3.48 103.07 102.38 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 1.29 1.32 0.09 4.60 0.00 -0.78 -4.47 105.19 107.25 2pkr n GLY 36 Ca 0.05 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 1.31 -0.23 1.61 2.07 -1.86 -2.22 116.25 116.94 2pkr h VAL 37 Ca 0.00 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2pkr h VAL 37 Cb 0.00 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2pkr h VAL 37 CO 0.00 0.28 0.00 0.11 0.02 0.00 0.00 177.57 177.99 2pkr h LYS 38 N -0.19 0.07 -0.59 1.57 1.57 -1.92 -0.67 116.57 116.41 2pkr h LYS 38 Ca 0.02 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2pkr h LYS 38 Cb 0.47 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 2pkr h LYS 38 CO 0.01 0.05 0.31 0.37 -0.57 0.00 0.00 179.45 179.62 2pkr h GLN 39 N 0.08 0.57 -0.39 3.15 4.15 -1.78 0.16 115.11 121.04 2pkr h GLN 39 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2pkr h GLN 39 Cb 0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2pkr h GLN 39 CO -0.18 0.38 0.19 0.00 -1.93 0.00 0.00 178.83 177.29 2pkr h ALA 40 N 1.32 0.51 -0.23 3.38 0.00 -1.16 -0.98 119.26 122.10 2pkr h ALA 40 Ca 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pkr h ALA 40 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pkr h ALA 40 CO -0.18 0.07 0.02 1.03 0.00 0.00 0.00 179.25 180.20 2pkr h SER 41 N 0.50 0.38 0.06 0.00 0.87 -0.28 -2.62 113.55 112.45 2pkr h SER 41 Ca 0.14 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2pkr h SER 41 Cb 0.12 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2pkr h SER 41 CO -0.02 0.56 -0.03 -0.74 -0.53 0.00 0.00 176.83 176.08 2pkr h HIS 42 N 0.18 -0.08 0.00 2.24 6.17 -0.59 -2.04 115.15 121.03 2pkr h HIS 42 Ca 0.07 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 2pkr h HIS 42 Cb 0.36 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.31 2pkr h HIS 42 CO 0.03 0.08 0.00 1.28 0.71 0.00 0.00 177.93 180.02 2pkr n LEU 43 N -5.06 0.66 0.09 0.26 4.77 -0.38 -0.67 117.00 116.66 2pkr n LEU 43 Ca -0.08 0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 56.32 2pkr n LEU 43 Cb 0.12 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 2pkr n LEU 43 CO 0.33 -0.46 -0.41 0.25 -1.33 0.00 0.00 177.39 175.78 2pkr h LEU 44 N 0.00 0.61 -0.02 2.23 5.85 -1.31 -3.38 115.31 119.30 2pkr h LEU 44 Ca 0.00 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 57.88 2pkr h LEU 44 Cb 0.44 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2pkr h LEU 44 CO 0.00 1.68 -0.06 0.50 -0.34 0.00 0.00 178.44 180.22 2pkr h LYS 45 N 0.11 0.07 -5.14 1.25 1.63 -0.86 -3.41 116.57 110.21 2pkr h LYS 45 Ca -0.30 -0.05 -0.64 0.00 -0.85 0.00 0.00 60.65 58.82 2pkr h LYS 45 Cb 2.10 0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 33.53 2pkr h LYS 45 CO 0.20 0.67 -0.62 0.71 -3.45 0.00 0.00 179.45 176.96 2pkr s TYR 46 N -3.77 3.12 -0.07 1.91 2.02 0.15 -0.71 117.35 119.99 2pkr s TYR 46 Ca -0.16 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 2pkr s TYR 46 Cb 0.01 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2pkr s TYR 46 CO 0.70 -0.12 0.04 0.34 -1.57 0.00 0.00 175.55 174.93 2pkr s ASP 47 N 0.91 1.52 0.39 2.29 -1.08 -1.20 -4.45 116.67 115.04 2pkr s ASP 47 Ca 0.03 -0.09 0.24 0.00 -0.52 0.00 0.00 52.55 52.20 2pkr s ASP 47 Cb -0.14 -0.30 1.31 0.00 -1.46 0.00 0.00 42.92 42.33 2pkr s ASP 47 CO 0.02 -0.24 1.72 0.28 0.52 0.00 0.00 175.17 177.48 2pkr h SER 48 N 8.38 0.00 0.00 -0.34 0.02 -1.95 0.52 113.55 120.18 2pkr h SER 48 Ca -0.16 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.66 2pkr h SER 48 Cb 1.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2pkr h SER 48 CO 0.22 0.00 -1.50 -0.38 -1.14 0.00 0.00 176.83 174.03 2pkr n ILE 49 N -2.37 0.50 0.23 3.27 5.41 -1.26 -4.72 119.36 120.42 2pkr n ILE 49 Ca -0.02 -0.20 0.11 0.00 1.00 0.00 0.00 62.75 63.65 2pkr n ILE 49 Cb 0.10 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.74 0.68 0.00 1.39 4.77 -1.12 -5.05 117.00 114.93 2pkr n LEU 50 Ca -0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2pkr n LEU 50 Cb 0.67 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2pkr n LEU 50 CO 0.09 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2pkr n GLY 51 N 1.24 -3.06 3.72 -0.72 0.00 0.18 -4.88 105.19 101.68 2pkr n GLY 51 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.84 3.38 -0.03 2.61 2.01 -1.26 -3.27 115.64 118.24 2pkr s THR 52 Ca 0.00 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 2pkr s THR 52 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2pkr s THR 52 CO 0.00 0.10 1.64 0.12 -0.69 0.00 0.00 174.62 175.79 2pkr s PHE 53 N 0.79 2.09 -1.39 4.92 5.36 0.11 -4.90 117.98 124.96 2pkr s PHE 53 Ca 0.61 0.24 -0.16 0.00 -0.96 0.00 0.00 56.93 56.67 2pkr s PHE 53 Cb -0.36 -3.91 0.06 0.00 -0.34 0.00 0.00 43.02 38.47 2pkr s PHE 53 CO 0.32 -3.79 2.01 -3.47 -1.46 0.00 0.00 175.22 168.83 2pkr n ASP 54 N 6.80 4.36 -3.51 6.13 2.03 -1.26 -4.79 116.55 126.31 2pkr n ASP 54 Ca 0.17 -2.88 -0.10 0.00 0.52 0.00 0.00 54.79 52.50 2pkr n ASP 54 Cb 0.42 -1.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.10 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 3.61 -1.80 -0.47 -1.67 0.00 -1.26 -5.10 121.76 115.07 2pkr s ALA 55 Ca 0.50 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 2pkr s ALA 55 Cb 0.09 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.48 2pkr s ALA 55 CO -0.01 -0.60 1.01 0.34 0.00 0.00 0.00 175.76 176.50 2pkr s ASP 56 N -2.14 6.55 -0.11 0.00 3.68 -1.26 -4.88 116.67 118.52 2pkr s ASP 56 Ca 0.01 0.26 0.02 0.00 2.13 0.00 0.00 52.55 54.97 2pkr s ASP 56 Cb -0.01 -2.49 -0.01 0.00 -1.45 0.00 0.00 42.92 38.96 2pkr s ASP 56 CO -0.06 -1.14 -0.16 -0.69 0.13 0.00 0.00 175.17 173.26 2pkr s VAL 57 N 4.05 2.82 0.21 1.11 1.01 -1.26 0.40 120.40 128.74 2pkr s VAL 57 Ca 0.42 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2pkr s VAL 57 Cb -0.09 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2pkr s VAL 57 CO 0.29 0.54 0.56 -0.54 0.00 0.00 0.00 175.10 175.95 2pkr s LYS 58 N 0.15 1.44 0.61 2.72 1.02 -0.92 -5.00 119.74 119.76 2pkr s LYS 58 Ca -0.08 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 54.91 2pkr s LYS 58 Cb -0.15 0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 37.66 2pkr s LYS 58 CO 0.05 -0.62 1.03 0.95 -0.92 0.00 0.00 175.35 175.84 2pkr s THR 59 N -3.88 4.44 -0.41 2.17 -4.23 -1.26 -1.28 115.64 111.19 2pkr s THR 59 Ca 0.09 0.92 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 2pkr s THR 59 Cb -0.02 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.28 2pkr s THR 59 CO -0.02 -0.91 0.25 0.00 -0.54 0.00 0.00 174.62 173.40 2pkr s ALA 60 N -2.94 1.69 0.00 3.99 0.00 0.27 -4.69 121.76 120.08 2pkr s ALA 60 Ca 0.57 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2pkr s ALA 60 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2pkr s ALA 60 CO 0.47 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.57 2pkr n GLY 60 N 3.60 -1.58 0.21 0.00 0.00 -1.26 -2.49 105.19 103.66 2pkr n GLY 60 Ca 0.12 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 2pkr n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pkr h ASP 61 N 0.00 0.87 -0.01 1.61 3.45 -2.01 -3.39 116.42 116.94 2pkr h ASP 61 Ca 0.00 -0.66 0.00 0.00 0.43 0.00 0.00 57.03 56.80 2pkr h ASP 61 Cb 0.00 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.51 2pkr h ASP 61 CO 0.00 1.39 0.00 -1.54 -1.57 0.00 0.00 179.24 177.52 2pkr n SER 62 N -3.99 2.09 -4.13 6.45 3.41 -1.25 -4.68 113.62 111.52 2pkr n SER 62 Ca -0.08 -2.17 -0.26 0.00 -0.26 0.00 0.00 58.87 56.09 2pkr n SER 62 Cb 0.74 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.30 2.99 0.08 7.33 0.00 -1.04 0.29 121.76 130.10 2pkr s ALA 63 Ca 0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 2pkr s ALA 63 Cb 0.05 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2pkr s ALA 63 CO 0.01 -0.33 0.08 0.96 0.00 0.00 0.00 175.76 176.48 2pkr s ILE 64 N -3.19 0.18 0.02 0.00 -4.36 -0.44 -0.56 121.20 112.85 2pkr s ILE 64 Ca 0.23 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 59.11 2pkr s ILE 64 Cb 0.02 -1.50 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 2pkr s ILE 64 CO 0.14 -0.80 -0.14 -0.94 0.24 0.00 0.00 174.94 173.44 2pkr s SER 65 N -2.91 1.68 -0.26 4.36 1.04 -0.40 -0.13 113.70 117.08 2pkr s SER 65 Ca 0.08 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2pkr s SER 65 Cb 0.07 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.13 2pkr s SER 65 CO -0.09 0.08 -0.00 -0.69 0.98 0.00 0.00 173.24 173.51 2pkr s VAL 66 N -0.68 1.45 -1.44 5.02 1.01 0.17 -2.16 120.40 123.76 2pkr s VAL 66 Ca 0.03 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 2pkr s VAL 66 Cb -0.07 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.51 2pkr s VAL 66 CO 0.01 -0.28 1.05 0.47 0.00 0.00 0.00 175.10 176.34 2pkr n ASP 67 N 4.67 -5.08 0.00 3.32 8.00 0.16 -1.83 116.55 125.79 2pkr n ASP 67 Ca -0.08 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.74 2pkr n ASP 67 Cb 0.44 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 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 -1.79 2.80 3.61 0.44 0.00 -1.26 -4.98 105.19 104.01 2pkr n GLY 68 Ca -0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.55 0.20 1.61 2.20 -0.76 -4.96 119.74 121.58 2pkr s LYS 69 Ca 0.00 1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 2pkr s LYS 69 Cb 0.00 -4.08 -0.08 0.00 -1.51 0.00 0.00 37.83 32.16 2pkr s LYS 69 CO 0.00 -1.59 0.93 0.08 -0.36 0.00 0.00 175.35 174.41 2pkr s VAL 70 N 5.85 4.22 0.08 4.02 1.01 -1.26 -0.66 120.40 133.66 2pkr s VAL 70 Ca 0.70 2.05 0.07 0.00 0.00 0.00 0.00 61.98 64.80 2pkr s VAL 70 Cb -0.19 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2pkr s VAL 70 CO 0.32 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 175.06 2pkr s ILE 71 N -0.83 1.42 0.24 2.22 1.01 0.82 -4.97 121.20 121.11 2pkr s ILE 71 Ca 0.42 -1.36 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 2pkr s ILE 71 Cb -0.25 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 2pkr s ILE 71 CO 0.31 -0.08 0.54 -0.75 0.00 0.00 0.00 174.94 174.95 2pkr s LYS 72 N -1.68 3.72 -0.08 2.79 2.47 0.54 -1.33 119.74 126.17 2pkr s LYS 72 Ca 0.03 0.15 -0.00 0.00 -1.56 0.00 0.00 55.97 54.58 2pkr s LYS 72 Cb -0.10 -2.66 0.02 0.00 -1.46 0.00 0.00 37.83 33.64 2pkr s LYS 72 CO 0.03 0.29 -0.05 0.08 0.16 0.00 0.00 175.35 175.86 2pkr s VAL 73 N -1.91 0.74 0.40 4.02 1.01 0.15 -0.33 120.40 124.47 2pkr s VAL 73 Ca 0.46 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2pkr s VAL 73 Cb -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 2pkr s VAL 73 CO 0.25 0.31 0.01 0.68 0.00 0.00 0.00 175.10 176.34 2pkr s VAL 74 N 1.53 1.94 -0.22 2.92 -7.23 -0.11 -4.64 120.40 114.60 2pkr s VAL 74 Ca -0.00 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 2pkr s VAL 74 Cb -0.13 -2.96 0.09 0.00 0.56 0.00 0.00 36.38 33.94 2pkr s VAL 74 CO -0.04 -0.01 0.19 -0.44 -0.31 0.00 0.00 175.10 174.49 2pkr s SER 75 N -3.68 1.95 -0.26 4.85 0.01 -1.26 -0.48 113.70 114.82 2pkr s SER 75 Ca 0.35 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2pkr s SER 75 Cb 0.09 0.16 0.09 0.00 0.21 0.00 0.00 66.02 66.57 2pkr s SER 75 CO 0.18 -0.36 0.62 -0.62 0.41 0.00 0.00 173.24 173.47 2pkr s ASP 76 N 2.26 -0.87 0.38 2.44 -1.08 -1.26 -4.96 116.67 113.57 2pkr s ASP 76 Ca 0.07 1.39 0.27 0.00 -0.52 0.00 0.00 52.55 53.75 2pkr s ASP 76 Cb -0.16 1.45 0.84 0.00 -1.46 0.00 0.00 42.92 43.59 2pkr s ASP 76 CO -0.19 -0.23 1.77 0.03 0.52 0.00 0.00 175.17 177.07 2pkr h ARG 77 N 7.28 0.00 -4.33 4.34 3.08 -1.99 -3.41 114.38 119.34 2pkr h ARG 77 Ca -0.28 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.03 2pkr h ARG 77 Cb 1.19 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.01 2pkr h ARG 77 CO 0.17 0.00 -0.36 1.21 -1.07 0.00 0.00 179.97 179.92 2pkr s ASN 78 N -5.28 6.05 0.50 7.04 3.84 -1.26 -4.97 114.94 120.87 2pkr s ASN 78 Ca 0.06 -1.35 0.18 0.00 0.21 0.00 0.00 52.86 51.96 2pkr s ASN 78 Cb 0.09 -2.15 1.25 0.00 -0.55 0.00 0.00 41.25 39.89 2pkr s ASN 78 CO 0.57 -0.62 2.07 -0.65 -2.79 0.00 0.00 177.10 175.67 2pkr h PRO 79 N 8.69 0.09 -0.08 0.43 0.11 -1.91 -1.92 132.00 137.41 2pkr h PRO 79 Ca -0.27 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 2pkr h PRO 79 Cb 1.11 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pkr h PRO 79 CO 0.85 0.06 0.07 -0.39 -0.21 0.00 0.00 178.00 178.38 2pkr h VAL 80 N 0.09 0.73 -0.17 3.15 -1.51 -1.94 -0.92 116.25 115.69 2pkr h VAL 80 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2pkr h VAL 80 Cb 0.43 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2pkr h VAL 80 CO -0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.92 2pkr n ASN 81 N -4.17 1.69 -4.79 4.19 5.03 -0.72 -4.30 115.26 112.19 2pkr n ASN 81 Ca -0.01 -1.71 -0.35 0.00 0.87 0.00 0.00 54.58 53.37 2pkr n ASN 81 Cb 0.17 -0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.56 4.06 -0.12 3.41 1.43 -0.35 -4.95 118.68 120.60 2pkr s LEU 82 Ca 0.32 1.93 -0.02 0.00 -1.03 0.00 0.00 54.13 55.34 2pkr s LEU 82 Cb 0.17 -4.31 0.01 0.00 0.03 0.00 0.00 46.19 42.10 2pkr s LEU 82 CO 0.26 -0.48 2.36 -0.81 0.23 0.00 0.00 176.35 177.91 2pkr n PRO 83 N -0.29 1.51 -0.14 1.29 -0.04 -1.26 -4.51 135.00 131.56 2pkr n PRO 83 Ca 0.06 -0.79 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 2pkr n PRO 83 Cb 0.51 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.65 0.98 -0.02 0.54 -0.00 -1.91 -1.32 115.95 115.88 2pkr h TRP 84 Ca 0.14 -0.24 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 2pkr h TRP 84 Cb 1.04 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.98 2pkr h TRP 84 CO 0.77 1.01 -0.01 0.78 -0.00 0.00 0.00 178.44 180.98 2pkr h GLY 85 N 0.67 0.04 0.69 1.49 0.00 -0.85 0.23 103.07 105.34 2pkr h GLY 85 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.51 2pkr h GLY 85 CO 0.06 0.04 0.53 -0.55 0.00 0.00 0.00 176.54 176.62 2pkr h ASP 86 N -0.43 0.58 0.60 0.19 3.32 -1.80 0.06 116.42 118.95 2pkr h ASP 86 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pkr h ASP 86 Cb 0.49 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2pkr h ASP 86 CO 0.00 0.32 -0.36 0.23 -1.72 0.00 0.00 179.24 177.71 2pkr n MET 87 N -4.52 0.06 -1.84 3.56 2.81 -0.50 -4.93 117.12 111.76 2pkr n MET 87 Ca 0.15 -0.03 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 2pkr n MET 87 Cb 0.43 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.49 0.32 3.67 3.03 0.00 0.01 -4.96 105.19 108.75 2pkr n GLY 88 Ca 0.06 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.18 3.02 -0.08 -0.61 -1.09 -0.08 -4.79 121.20 115.40 2pkr s ILE 89 Ca 0.00 0.28 -0.18 0.00 -2.23 0.00 0.00 60.65 58.51 2pkr s ILE 89 Cb 0.00 -3.18 -0.29 0.00 -1.58 0.00 0.00 42.46 37.41 2pkr s ILE 89 CO 0.00 -0.01 0.70 0.44 -1.23 0.00 0.00 174.94 174.84 2pkr h ASP 90 N 9.38 0.42 -3.63 3.58 3.32 -1.47 -2.73 116.42 125.31 2pkr h ASP 90 Ca -0.45 -0.89 -0.33 0.00 0.02 0.00 0.00 57.03 55.37 2pkr h ASP 90 Cb 1.21 -0.14 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 2pkr h ASP 90 CO 0.94 1.53 -0.75 -0.22 -1.72 0.00 0.00 179.24 179.02 2pkr s LEU 91 N -7.69 1.51 -0.17 1.55 2.96 -0.88 -1.05 118.68 114.91 2pkr s LEU 91 Ca -0.17 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2pkr s LEU 91 Cb 0.03 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 2pkr s LEU 91 CO 0.79 -0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.08 2pkr s VAL 92 N 0.58 4.06 -0.50 1.68 1.01 0.37 -1.09 120.40 126.50 2pkr s VAL 92 Ca -0.06 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 2pkr s VAL 92 Cb -0.09 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.54 2pkr s VAL 92 CO -0.01 0.47 0.63 -0.63 0.00 0.00 0.00 175.10 175.56 2pkr s ILE 93 N 0.49 4.87 -0.65 2.22 -1.09 0.34 -0.37 121.20 127.02 2pkr s ILE 93 Ca -0.02 -0.45 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 2pkr s ILE 93 Cb -0.14 -4.29 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2pkr s ILE 93 CO 0.02 -0.79 1.08 -0.70 -1.23 0.00 0.00 174.94 173.32 2pkr s GLU 94 N 2.65 3.24 -0.14 2.79 -6.30 -0.40 -1.02 118.70 119.51 2pkr s GLU 94 Ca 0.16 -0.38 0.14 0.00 -2.50 0.00 0.00 54.97 52.39 2pkr s GLU 94 Cb -0.19 -4.14 0.35 0.00 0.00 0.00 0.00 34.13 30.15 2pkr s GLU 94 CO 0.12 -1.81 1.18 0.41 0.02 0.00 0.00 175.26 175.18 2pkr n GLY 95 N 5.26 4.19 0.15 -1.50 0.00 -0.28 -0.84 105.19 112.16 2pkr n GLY 95 Ca 0.01 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 1.94 0.33 0.00 2.61 1.35 -1.81 -3.44 112.91 113.90 2pkr h THR 96 Ca -0.03 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2pkr h THR 96 Cb 1.15 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2pkr h THR 96 CO 0.01 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2pkr n GLY 97 N 1.21 0.88 0.00 5.82 0.00 -1.26 -4.87 105.19 106.98 2pkr n GLY 97 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.22 0.00 -3.31 1.61 0.24 -1.26 -4.75 118.33 108.64 2pkr n VAL 98 Ca 0.00 -0.34 -0.27 0.00 -2.04 0.00 0.00 64.34 61.69 2pkr n VAL 98 Cb 0.00 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 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 -1.20 3.70 0.86 6.34 3.72 -1.26 -4.84 117.46 124.77 2pkr n PHE 99 Ca 0.01 -4.12 0.10 0.00 -0.05 0.00 0.00 57.45 53.39 2pkr n PHE 99 Cb 0.09 -0.54 0.03 0.00 -0.94 0.00 0.00 39.48 38.12 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 0.60 0.00 -3.41 -4.37 0.24 -1.26 -3.63 118.33 106.51 2pkr n VAL 100 Ca 0.30 -0.37 -0.20 0.00 -2.04 0.00 0.00 64.34 62.02 2pkr n VAL 100 Cb 0.41 1.30 -0.01 0.00 -1.47 0.00 0.00 33.84 34.07 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 -2.01 5.17 0.21 -1.34 -4.77 -1.26 -0.61 116.67 112.04 2pkr s ASP 101 Ca 0.19 -0.72 -0.09 0.00 -3.30 0.00 0.00 52.55 48.62 2pkr s ASP 101 Cb 0.16 -0.42 0.15 0.00 -1.09 0.00 0.00 42.92 41.72 2pkr s ASP 101 CO 0.40 -0.79 1.81 0.03 0.70 0.00 0.00 175.17 177.32 2pkr h ARG 102 N 0.82 1.08 -0.45 2.11 3.08 -1.94 0.65 114.38 119.74 2pkr h ARG 102 Ca -0.39 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.39 2pkr h ARG 102 Cb 1.28 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2pkr h ARG 102 CO 0.53 0.83 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.64 2pkr h ASP 103 N 1.06 0.88 0.20 7.04 3.32 -1.96 0.14 116.42 127.11 2pkr h ASP 103 Ca 0.26 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2pkr h ASP 103 Cb 0.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2pkr h ASP 103 CO -0.04 1.05 -0.10 1.23 -1.72 0.00 0.00 179.24 179.67 2pkr h GLY 104 N 0.95 -0.28 1.82 2.75 0.00 -1.86 -3.20 103.07 103.25 2pkr h GLY 104 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2pkr h GLY 104 CO 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 176.54 176.49 2pkr h ALA 105 N -0.46 1.70 0.00 3.60 0.00 -0.91 -1.84 119.26 121.36 2pkr h ALA 105 Ca -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pkr h ALA 105 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pkr h ALA 105 CO 0.04 0.23 -0.02 0.78 0.00 0.00 0.00 179.25 180.28 2pkr h GLY 106 N 0.48 0.00 1.68 0.00 0.00 -0.77 -1.77 103.07 102.68 2pkr h GLY 106 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.43 2pkr h GLY 106 CO 0.00 0.00 0.12 0.50 0.00 0.00 0.00 176.54 177.17 2pkr h LYS 107 N 0.00 0.00 -0.05 4.80 1.57 -1.32 0.24 116.57 121.81 2pkr h LYS 107 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2pkr h LYS 107 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2pkr h LYS 107 CO 0.00 0.00 -0.38 0.45 -0.57 0.00 0.00 179.45 178.95 2pkr h HIS 108 N 0.00 0.12 -0.17 -1.35 3.86 -1.50 -1.21 115.15 114.90 2pkr h HIS 108 Ca 0.07 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.05 2pkr h HIS 108 Cb 0.31 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2pkr h HIS 108 CO 0.00 0.48 -0.70 -0.07 0.86 0.00 0.00 177.93 178.50 2pkr h LEU 109 N 0.09 0.81 -0.78 2.43 3.38 -0.72 -0.25 115.31 120.28 2pkr h LEU 109 Ca 0.01 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.58 2pkr h LEU 109 Cb 0.72 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2pkr h LEU 109 CO 0.05 1.27 0.41 -0.61 0.09 0.00 0.00 178.44 179.66 2pkr h GLN 110 N 0.49 0.66 0.00 1.13 4.15 -0.30 -0.27 115.11 120.97 2pkr h GLN 110 Ca -0.03 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2pkr h GLN 110 Cb 1.30 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2pkr h GLN 110 CO 0.14 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.48 2pkr n ALA 111 N -2.40 2.07 0.00 3.38 0.00 -0.55 -4.87 120.51 118.15 2pkr n ALA 111 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pkr n ALA 111 Cb 0.30 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.50 0.91 3.78 0.00 0.00 -0.11 -0.43 105.19 109.82 2pkr n GLY 112 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 2.98 -0.05 4.61 0.00 -0.12 -3.84 121.76 123.34 2pkr s ALA 113 Ca 0.00 0.83 0.13 0.00 0.00 0.00 0.00 51.96 52.92 2pkr s ALA 113 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2pkr s ALA 113 CO 0.00 -0.50 1.14 0.87 0.00 0.00 0.00 175.76 177.27 2pkr h LYS 114 N 2.10 0.00 -2.73 0.00 1.57 -1.45 -3.38 116.57 112.68 2pkr h LYS 114 Ca -0.49 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 2pkr h LYS 114 Cb 1.24 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.36 2pkr h LYS 114 CO 0.61 0.59 -0.11 0.21 -0.57 0.00 0.00 179.45 180.18 2pkr s LYS 115 N -2.83 0.83 -0.05 3.15 2.20 -0.22 -4.87 119.74 117.96 2pkr s LYS 115 Ca 0.00 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 2pkr s LYS 115 Cb 0.09 0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 36.78 2pkr s LYS 115 CO 0.79 -0.25 -0.18 0.08 -0.36 0.00 0.00 175.35 175.43 2pkr s VAL 116 N -1.50 1.50 -0.28 4.02 1.01 0.12 -0.48 120.40 124.79 2pkr s VAL 116 Ca -0.11 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2pkr s VAL 116 Cb -0.03 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 35.14 2pkr s VAL 116 CO 0.05 0.43 -0.03 -0.22 0.00 0.00 0.00 175.10 175.32 2pkr s LEU 117 N 0.03 3.57 -0.03 3.92 0.20 0.50 -0.96 118.68 125.92 2pkr s LEU 117 Ca -0.04 -1.60 -0.30 0.00 0.69 0.00 0.00 54.13 52.88 2pkr s LEU 117 Cb -0.12 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2pkr s LEU 117 CO 0.02 -0.27 1.03 -0.63 -0.29 0.00 0.00 176.35 176.21 2pkr s ILE 118 N 1.14 4.70 -0.24 6.68 1.01 0.10 -1.28 121.20 133.32 2pkr s ILE 118 Ca -0.01 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.56 2pkr s ILE 118 Cb -0.19 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2pkr s ILE 118 CO -0.08 0.09 2.72 0.35 0.00 0.00 0.00 174.94 178.03 2pkr n THR 119 N 4.16 2.93 -3.67 2.92 -2.24 -0.02 -1.90 114.28 116.47 2pkr n THR 119 Ca 0.08 -1.95 -0.00 0.00 -2.27 0.00 0.00 64.05 59.90 2pkr n THR 119 Cb 0.49 -1.63 -0.01 0.00 -2.10 0.00 0.00 70.33 67.09 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 -0.79 -2.03 0.42 6.98 0.00 -1.22 -4.93 121.76 120.18 2pkr s ALA 120 Ca 0.47 0.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 2pkr s ALA 120 Cb 0.28 0.46 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 2pkr s ALA 120 CO -0.08 -1.05 1.45 -2.30 0.00 0.00 0.00 175.76 173.78 2pkr n PRO 121 N -0.49 2.44 -3.31 0.00 -0.02 -1.23 -3.92 135.00 128.46 2pkr n PRO 121 Ca -0.08 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 2pkr n PRO 121 Cb 0.62 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 2pkr n PRO 121 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2pkr s GLY 122 N -0.31 2.31 -0.11 -1.23 0.00 -1.26 -4.92 107.32 101.79 2pkr s GLY 122 Ca 0.57 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 2pkr s GLY 122 CO 0.61 0.01 0.21 0.54 0.00 0.00 0.00 173.10 174.47 2pkr s LYS 122 N -2.85 3.71 2.11 2.90 -0.14 0.22 -4.85 119.74 120.84 2pkr s LYS 122 Ca 0.49 -0.01 0.00 0.00 -1.36 0.00 0.00 55.97 55.09 2pkr s LYS 122 Cb -0.11 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 2pkr s LYS 122 CO 0.20 0.65 0.00 0.41 -0.76 0.00 0.00 175.35 175.85 2pkr n GLY 123 N 2.28 -0.68 3.19 -3.33 0.00 -1.26 -4.12 105.19 101.26 2pkr n GLY 123 Ca -0.18 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 0.56 4.65 -4.03 1.61 2.03 -1.26 -4.91 116.55 115.20 2pkr n ASP 124 Ca 0.00 -2.93 -0.29 0.00 0.52 0.00 0.00 54.79 52.09 2pkr n ASP 124 Cb 0.00 -1.66 -0.17 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 2.97 1.51 -0.02 5.18 1.01 -1.26 -4.99 121.20 125.60 2pkr s ILE 125 Ca 0.48 -0.62 -0.35 0.00 0.00 0.00 0.00 60.65 60.16 2pkr s ILE 125 Cb 0.07 -1.41 -0.13 0.00 0.01 0.00 0.00 42.46 41.00 2pkr s ILE 125 CO 0.00 0.45 1.72 -0.81 0.00 0.00 0.00 174.94 176.30 2pkr n PRO 126 N 4.54 1.95 -4.55 2.79 -0.04 -1.26 -4.72 135.00 133.72 2pkr n PRO 126 Ca -0.18 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 63.66 2pkr n PRO 126 Cb 0.51 -2.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.35 2pkr n PRO 126 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2pkr s THR 127 N 2.73 3.69 -0.01 0.52 2.01 -1.26 -0.06 115.64 123.27 2pkr s THR 127 Ca 0.89 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2pkr s THR 127 Cb -0.76 -2.57 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 2pkr s THR 127 CO 0.49 0.54 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.59 2pkr s TYR 128 N -0.10 0.54 -0.21 4.92 2.02 -0.20 -4.80 117.35 119.52 2pkr s TYR 128 Ca 0.01 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2pkr s TYR 128 Cb -0.13 -0.36 0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2pkr s TYR 128 CO 0.03 -0.02 -0.07 0.08 -1.57 0.00 0.00 175.55 174.00 2pkr s VAL 129 N -0.07 1.47 0.15 0.71 1.01 -1.26 -4.24 120.40 118.17 2pkr s VAL 129 Ca 0.01 -1.02 -0.33 0.00 0.00 0.00 0.00 61.98 60.64 2pkr s VAL 129 Cb -0.03 -1.66 -0.13 0.00 0.00 0.00 0.00 36.38 34.56 2pkr s VAL 129 CO -0.00 0.03 1.68 0.52 0.00 0.00 0.00 175.10 177.33 2pkr n VAL 130 N 4.72 0.09 -0.05 2.92 0.31 -1.26 -0.78 118.33 124.28 2pkr n VAL 130 Ca -0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2pkr n VAL 130 Cb 0.46 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2pkr n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pkr n GLY 131 N 3.76 0.52 0.97 2.92 0.00 -1.26 -4.88 105.19 107.22 2pkr n GLY 131 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.66 -2.07 1.61 0.31 0.04 -4.93 118.33 111.94 2pkr n VAL 132 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2pkr n VAL 132 Cb 0.00 -1.58 -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 -3.31 0.10 0.29 4.52 2.04 -0.97 -4.92 115.26 113.01 2pkr n ASN 133 Ca -0.02 -1.79 0.16 0.00 -0.44 0.00 0.00 54.58 52.49 2pkr n ASN 133 Cb 0.29 -0.15 0.90 0.00 -2.53 0.00 0.00 39.78 38.29 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 0.15 0.00 0.00 -3.83 9.09 -1.94 -1.76 114.58 116.29 2pkr h GLU 134 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 2pkr h GLU 134 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.49 2pkr h GLU 134 CO -0.00 0.05 0.00 0.93 0.05 0.00 0.00 179.01 180.04 2pkr h GLU 135 N 0.00 0.00 0.00 1.06 5.08 -1.94 -1.54 114.58 117.24 2pkr h GLU 135 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pkr h GLU 135 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2pkr h GLU 135 CO 0.01 0.00 -0.11 0.41 -1.00 0.00 0.00 179.01 178.32 2pkr n GLY 136 N -0.98 -1.45 3.77 -3.84 0.00 -0.66 -4.89 105.19 97.13 2pkr n GLY 136 Ca -0.01 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.00 2.95 0.02 1.61 5.04 -0.58 -5.04 117.35 118.35 2pkr s TYR 137 Ca 0.13 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 2pkr s TYR 137 Cb 0.18 -3.62 -0.02 0.00 0.35 0.00 0.00 41.96 38.86 2pkr s TYR 137 CO 0.57 -1.86 -0.06 0.95 -1.34 0.00 0.00 175.55 173.82 2pkr s THR 138 N -1.24 0.37 0.06 4.34 -4.23 -1.26 -5.03 115.64 108.65 2pkr s THR 138 Ca 0.54 -0.79 0.24 0.00 -1.18 0.00 0.00 61.69 60.50 2pkr s THR 138 Cb -0.37 -0.43 0.24 0.00 1.34 0.00 0.00 72.50 73.28 2pkr s THR 138 CO 0.48 -0.28 1.71 -0.74 -0.54 0.00 0.00 174.62 175.25 2pkr h HIS 139 N 4.96 0.00 0.00 3.99 2.76 -1.97 -1.64 115.15 123.25 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 -0.03 0.00 -1.30 0.00 0.00 177.93 177.18 2pkr h ALA 140 N 1.76 1.00 -1.88 5.26 0.00 -1.95 -3.42 119.26 120.03 2pkr h ALA 140 Ca 0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 2pkr h ALA 140 Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2pkr h ALA 140 CO 0.00 0.04 1.21 -0.51 0.00 0.00 0.00 179.25 179.99 2pkr s ASP 141 N -5.81 6.07 0.17 0.00 1.01 -0.62 -4.85 116.67 112.63 2pkr s ASP 141 Ca 0.02 1.26 0.09 0.00 0.71 0.00 0.00 52.55 54.63 2pkr s ASP 141 Cb 0.09 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.36 2pkr s ASP 141 CO 0.57 -1.57 1.32 0.71 0.21 0.00 0.00 175.17 176.41 2pkr h THR 142 N 6.63 1.46 -3.33 -1.27 1.35 -1.89 -3.44 112.91 112.41 2pkr h THR 142 Ca -0.32 -3.07 -0.45 0.00 -0.55 0.00 0.00 66.41 62.02 2pkr h THR 142 Cb 1.15 2.72 -0.36 0.00 -1.73 0.00 0.00 68.15 69.94 2pkr h THR 142 CO 1.04 0.83 -0.78 -0.63 -0.25 0.00 0.00 175.52 175.73 2pkr s ILE 143 N -2.78 0.61 0.14 6.82 1.01 -1.26 -0.70 121.20 125.03 2pkr s ILE 143 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2pkr s ILE 143 Cb 0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2pkr s ILE 143 CO 0.80 0.27 -0.11 0.27 0.00 0.00 0.00 174.94 176.17 2pkr s ILE 144 N 1.41 1.18 0.03 2.92 -4.36 -0.13 -3.99 121.20 118.27 2pkr s ILE 144 Ca -0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 2pkr s ILE 144 Cb -0.13 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 2pkr s ILE 144 CO -0.03 -0.70 -0.24 -0.55 0.24 0.00 0.00 174.94 173.66 2pkr s SER 145 N -3.05 3.32 -0.15 4.36 0.15 0.91 0.01 113.70 119.25 2pkr s SER 145 Ca 0.15 -0.53 0.16 0.00 0.70 0.00 0.00 55.95 56.43 2pkr s SER 145 Cb 0.01 -0.38 0.66 0.00 -1.71 0.00 0.00 66.02 64.60 2pkr s SER 145 CO 0.01 0.27 1.57 -3.20 1.20 0.00 0.00 173.24 173.09 2pkr n ASN 146 N 1.82 4.64 -0.39 5.45 5.15 -0.80 -1.04 115.26 130.09 2pkr n ASN 146 Ca -0.17 -2.69 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 2pkr n ASN 146 Cb 0.52 -0.57 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 0.49 0.00 -2.02 5.20 0.00 -1.25 -4.82 120.51 118.11 2pkr n ALA 147 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 2pkr n ALA 147 Cb 0.93 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.42 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 5.40 0.16 0.00 1.04 -1.26 -3.44 113.70 111.60 2pkr s SER 148 Ca 0.00 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 2pkr s SER 148 Cb 0.00 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.92 2pkr s SER 148 CO 0.00 -1.02 1.72 0.00 0.98 0.00 0.00 173.24 174.92 2pkr h THR 150 N 0.70 1.25 -0.37 0.00 2.02 -1.95 -1.97 112.91 112.59 2pkr h THR 150 Ca 0.18 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 2pkr h THR 150 Cb 0.16 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2pkr h THR 150 CO -0.02 0.34 -0.13 0.74 0.37 0.00 0.00 175.52 176.82 2pkr h THR 151 N 1.08 1.25 0.00 3.16 2.02 -1.84 0.10 112.91 118.69 2pkr h THR 151 Ca 0.24 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 2pkr h THR 151 Cb 0.25 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2pkr h THR 151 CO -0.01 0.38 -0.15 0.78 0.37 0.00 0.00 175.52 176.88 2pkr h ASN 152 N 0.60 0.00 0.10 4.18 4.21 -0.76 -0.68 115.58 123.24 2pkr h ASN 152 Ca 0.10 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.35 2pkr h ASN 152 Cb 0.57 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2pkr h ASN 152 CO 0.04 0.15 -1.32 0.00 -1.29 0.00 0.00 177.43 175.01 2pkr h LEU 154 N -0.38 -0.10 -0.56 0.00 5.85 -0.84 -3.38 115.31 115.90 2pkr h LEU 154 Ca -0.29 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.10 2pkr h LEU 154 Cb 1.70 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.64 2pkr h LEU 154 CO 0.04 0.43 -0.26 0.00 -0.34 0.00 0.00 178.44 178.31 2pkr h ALA 155 N 0.11 0.10 -0.43 1.25 0.00 -1.35 -1.02 119.26 117.92 2pkr h ALA 155 Ca -0.01 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2pkr h ALA 155 Cb 0.54 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2pkr h ALA 155 CO 0.02 -0.59 -0.21 -1.35 0.00 0.00 0.00 179.25 177.12 2pkr h PRO 156 N -0.12 -0.12 0.00 0.00 0.11 -1.76 0.11 132.00 130.21 2pkr h PRO 156 Ca 0.25 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2pkr h PRO 156 Cb 0.52 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2pkr h PRO 156 CO -0.64 -0.08 -0.23 0.27 -0.21 0.00 0.00 178.00 177.11 2pkr h PHE 157 N -0.13 0.00 -0.20 0.65 -5.15 -1.66 -3.00 116.94 107.45 2pkr h PHE 157 Ca 0.21 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.80 2pkr h PHE 157 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.62 2pkr h PHE 157 CO -0.46 0.00 -0.58 0.28 -2.00 0.00 0.00 178.31 175.55 2pkr h VAL 158 N 0.00 1.31 -0.82 0.88 2.07 -0.49 -0.83 116.25 118.36 2pkr h VAL 158 Ca 0.00 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.70 2pkr h VAL 158 Cb 0.87 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2pkr h VAL 158 CO 0.00 0.57 0.55 0.50 0.02 0.00 0.00 177.57 179.21 2pkr h LYS 159 N 0.48 1.09 -0.42 1.57 3.64 -0.71 0.58 116.57 122.79 2pkr h LYS 159 Ca 0.00 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 2pkr h LYS 159 Cb 1.15 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2pkr h LYS 159 CO 0.11 0.72 -0.23 0.28 -2.27 0.00 0.00 179.45 178.07 2pkr h VAL 160 N 1.12 1.28 -0.56 2.00 2.07 -1.37 -1.95 116.25 118.83 2pkr h VAL 160 Ca 0.30 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2pkr h VAL 160 Cb -0.13 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2pkr h VAL 160 CO -0.07 0.47 0.09 -0.07 0.02 0.00 0.00 177.57 178.01 2pkr h LEU 161 N 0.73 0.89 -0.41 2.57 3.38 -0.60 -1.68 115.31 120.19 2pkr h LEU 161 Ca 0.09 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2pkr h LEU 161 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2pkr h LEU 161 CO 0.07 0.93 0.07 -0.78 0.09 0.00 0.00 178.44 178.82 2pkr h ASP 162 N 0.82 0.65 -0.34 -0.43 3.58 -0.85 0.19 116.42 120.04 2pkr h ASP 162 Ca 0.17 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2pkr h ASP 162 Cb 0.42 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2pkr h ASP 162 CO 0.01 0.74 0.01 -0.61 -2.88 0.00 0.00 179.24 176.51 2pkr h GLN 163 N 0.53 0.60 0.00 0.28 4.15 -1.26 0.08 115.11 119.51 2pkr h GLN 163 Ca 0.13 -0.19 -0.19 0.00 0.77 0.00 0.00 58.65 59.16 2pkr h GLN 163 Cb 0.36 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2pkr h GLN 163 CO 0.01 0.72 -0.97 0.87 -1.93 0.00 0.00 178.83 177.52 2pkr h LYS 164 N 0.42 0.00 0.00 1.69 6.56 -1.24 -3.41 116.57 120.58 2pkr h LYS 164 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2pkr h LYS 164 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2pkr h LYS 164 CO 0.02 0.80 -0.25 1.19 -2.06 0.00 0.00 179.45 179.15 2pkr n PHE 165 N -3.27 0.00 -1.55 -1.35 3.72 0.63 -4.95 117.46 110.69 2pkr n PHE 165 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 2pkr n PHE 165 Cb 0.90 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.82 -3.58 3.68 1.37 0.00 0.02 -1.73 105.19 105.77 2pkr n GLY 166 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 4.88 -0.18 -0.61 1.01 -1.26 -0.10 121.20 124.78 2pkr s ILE 167 Ca -0.03 1.70 -0.25 0.00 0.00 0.00 0.00 60.65 62.07 2pkr s ILE 167 Cb 0.00 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 38.09 2pkr s ILE 167 CO 0.09 0.05 0.44 0.40 0.00 0.00 0.00 174.94 175.92 2pkr h ILE 168 N 5.13 1.28 -2.15 2.92 2.04 -1.17 -3.47 117.51 122.08 2pkr h ILE 168 Ca -0.31 -2.25 0.18 0.00 1.00 0.00 0.00 64.86 63.48 2pkr h ILE 168 Cb 1.14 2.71 -0.11 0.00 -0.74 0.00 0.00 36.82 39.82 2pkr h ILE 168 CO 0.83 0.44 0.55 -1.59 0.00 0.00 0.00 178.15 178.38 2pkr s LYS 169 N -2.31 0.92 0.03 2.37 -2.85 -1.21 -4.83 119.74 111.87 2pkr s LYS 169 Ca -0.25 -0.46 -0.28 0.00 -1.00 0.00 0.00 55.97 53.98 2pkr s LYS 169 Cb 0.02 0.35 0.10 0.00 -2.06 0.00 0.00 37.83 36.24 2pkr s LYS 169 CO 0.63 -0.42 1.22 0.20 0.10 0.00 0.00 175.35 177.09 2pkr s GLY 170 N -2.77 -0.21 0.06 0.59 0.00 -0.41 -1.24 107.32 103.34 2pkr s GLY 170 Ca 0.10 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.08 2pkr s GLY 170 CO -0.02 2.41 -0.06 -1.08 0.00 0.00 0.00 173.10 174.35 2pkr s THR 171 N -2.31 0.49 0.02 0.90 -1.32 0.31 -3.28 115.64 110.46 2pkr s THR 171 Ca 0.21 -1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 59.14 2pkr s THR 171 Cb 0.01 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 2pkr s THR 171 CO -0.01 -0.71 -0.01 -0.32 -2.21 0.00 0.00 174.62 171.37 2pkr s MET 172 N -2.89 0.38 -0.03 7.08 0.00 -0.43 -1.03 119.30 122.38 2pkr s MET 172 Ca 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 55.69 55.01 2pkr s MET 172 Cb -0.01 0.14 0.03 0.00 0.00 0.00 0.00 34.83 34.99 2pkr s MET 172 CO -0.04 -0.07 0.03 0.99 0.00 0.00 0.00 175.02 175.93 2pkr s THR 173 N -1.87 0.04 -0.20 10.11 2.01 -0.21 -1.48 115.64 124.03 2pkr s THR 173 Ca -0.12 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 2pkr s THR 173 Cb -0.07 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 2pkr s THR 173 CO -0.02 0.15 -0.06 0.28 -0.69 0.00 0.00 174.62 174.28 2pkr s THR 174 N 1.49 3.35 -0.60 -0.82 -1.32 -0.54 -0.10 115.64 117.11 2pkr s THR 174 Ca -0.03 -0.51 -0.21 0.00 -1.21 0.00 0.00 61.69 59.72 2pkr s THR 174 Cb -0.13 -2.51 0.07 0.00 -1.51 0.00 0.00 72.50 68.43 2pkr s THR 174 CO -0.03 0.44 0.84 -0.89 -2.21 0.00 0.00 174.62 172.78 2pkr s THR 175 N 1.24 4.54 -0.06 5.08 2.01 -0.21 0.32 115.64 128.56 2pkr s THR 175 Ca 0.03 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 2pkr s THR 175 Cb -0.14 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 2pkr s THR 175 CO -0.02 -1.23 -0.02 -2.28 -0.69 0.00 0.00 174.62 170.39 2pkr s HIS 176 N 3.48 3.08 0.68 4.92 5.04 0.62 -1.35 115.29 131.75 2pkr s HIS 176 Ca 0.19 0.12 -0.16 0.00 -1.54 0.00 0.00 55.06 53.68 2pkr s HIS 176 Cb -0.18 -1.73 0.01 0.00 0.04 0.00 0.00 32.58 30.71 2pkr s HIS 176 CO 0.11 0.43 1.16 -1.12 -2.34 0.00 0.00 174.74 172.98 2pkr s SER 177 N -1.05 4.75 0.91 9.88 0.01 -1.24 -0.74 113.70 126.21 2pkr s SER 177 Ca 0.15 2.20 -0.12 0.00 1.31 0.00 0.00 55.95 59.49 2pkr s SER 177 Cb -0.11 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.68 2pkr s SER 177 CO 0.04 -1.88 1.09 -0.72 0.41 0.00 0.00 173.24 172.18 2pkr s TYR 178 N -2.08 2.27 0.11 2.43 -0.85 -0.37 -4.74 117.35 114.12 2pkr s TYR 178 Ca 0.71 1.26 -0.01 0.00 -0.52 0.00 0.00 57.07 58.51 2pkr s TYR 178 Cb -0.25 -3.17 -0.04 0.00 0.38 0.00 0.00 41.96 38.88 2pkr s TYR 178 CO 0.41 -2.46 0.03 0.95 -1.52 0.00 0.00 175.55 172.97 2pkr s THR 179 N -2.92 0.16 -0.28 -3.49 -4.23 -1.26 -4.69 115.64 98.93 2pkr s THR 179 Ca 0.64 -1.89 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 2pkr s THR 179 Cb -0.18 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.79 2pkr s THR 179 CO 0.57 -0.60 0.98 0.61 -0.54 0.00 0.00 174.62 175.64 2pkr n GLY 180 N -0.05 -0.41 0.16 3.99 0.00 -1.26 -0.60 105.19 107.03 2pkr n GLY 180 Ca -0.08 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.43 1.61 3.58 -1.99 -3.45 116.42 112.74 2pkr h ASP 181 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2pkr h ASP 181 Cb 0.56 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.67 2pkr h ASP 181 CO 0.00 0.00 0.12 -1.10 -2.88 0.00 0.00 179.24 175.38 2pkr s GLN 182 N -3.19 2.80 -0.12 0.28 -0.21 0.23 -4.97 119.66 114.48 2pkr s GLN 182 Ca 0.08 -0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.22 2pkr s GLN 182 Cb 0.09 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 2pkr s GLN 182 CO 0.61 -0.71 0.12 1.03 -2.12 0.00 0.00 175.29 174.22 2pkr s ARG 183 N -4.94 3.42 0.13 2.91 1.81 -1.10 -4.97 118.95 116.21 2pkr s ARG 183 Ca 0.54 -0.17 -0.18 0.00 -1.72 0.00 0.00 55.73 54.21 2pkr s ARG 183 Cb -0.10 -3.15 -0.03 0.00 -0.45 0.00 0.00 34.95 31.22 2pkr s ARG 183 CO 0.43 0.75 1.77 1.25 -0.68 0.00 0.00 175.30 178.82 2pkr h LEU 184 N 5.08 0.38 -8.49 2.53 5.85 -1.92 -1.32 115.31 117.42 2pkr h LEU 184 Ca -0.54 -0.04 -0.39 0.00 0.84 0.00 0.00 57.88 57.75 2pkr h LEU 184 Cb 1.22 -0.10 -0.19 0.00 0.37 0.00 0.00 40.66 41.96 2pkr h LEU 184 CO 0.58 0.31 -0.76 -0.76 -0.34 0.00 0.00 178.44 177.48 2pkr s LEU 185 N -10.09 2.36 -0.45 2.25 1.43 -1.26 -3.62 118.68 109.30 2pkr s LEU 185 Ca -0.13 -0.74 -0.40 0.00 -1.03 0.00 0.00 54.13 51.83 2pkr s LEU 185 Cb 0.10 -0.46 -0.17 0.00 0.03 0.00 0.00 46.19 45.68 2pkr s LEU 185 CO 0.71 -0.15 1.73 0.47 0.23 0.00 0.00 176.35 179.34 2pkr n ASP 186 N 0.82 0.82 -3.57 2.29 9.92 -1.25 -4.51 116.55 121.06 2pkr n ASP 186 Ca -0.18 0.78 -0.10 0.00 -0.53 0.00 0.00 54.79 54.76 2pkr n ASP 186 Cb 0.56 -0.80 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 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 4.34 -0.30 0.42 2.24 0.00 -0.13 -4.96 121.76 123.37 2pkr s ALA 187 Ca 1.02 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 2pkr s ALA 187 Cb -1.34 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.64 2pkr s ALA 187 CO 0.64 -0.90 1.12 0.43 0.00 0.00 0.00 175.76 177.05 2pkr n SER 188 N -0.85 1.81 -3.64 0.00 7.64 -1.26 -4.54 113.62 112.78 2pkr n SER 188 Ca -0.03 1.07 -0.04 0.00 1.01 0.00 0.00 58.87 60.88 2pkr n SER 188 Cb 0.61 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.33 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 -1.23 -0.27 0.40 1.43 5.04 -1.26 -4.87 115.29 114.53 2pkr s HIS 190 Ca 0.62 0.63 0.11 0.00 -1.54 0.00 0.00 55.06 54.88 2pkr s HIS 190 Cb -0.54 0.37 0.92 0.00 0.04 0.00 0.00 32.58 33.37 2pkr s HIS 190 CO 0.57 -0.13 1.96 0.00 -2.34 0.00 0.00 174.74 174.80 2pkr h ARG 191 N 4.17 0.52 -5.21 2.88 2.47 -1.98 -3.34 114.38 113.89 2pkr h ARG 191 Ca -0.28 -0.03 -0.66 0.00 -1.26 0.00 0.00 59.98 57.76 2pkr h ARG 191 Cb 1.18 -0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 29.22 2pkr h ARG 191 CO 0.16 0.35 0.32 0.34 0.56 0.00 0.00 179.97 181.70 2pkr s ASP 192 N -6.19 6.22 0.23 7.04 -1.08 -1.26 -4.92 116.67 116.71 2pkr s ASP 192 Ca -0.08 -0.97 0.13 0.00 -0.52 0.00 0.00 52.55 51.10 2pkr s ASP 192 Cb 0.20 -2.36 0.71 0.00 -1.46 0.00 0.00 42.92 40.00 2pkr s ASP 192 CO 0.76 -1.19 1.35 0.18 0.52 0.00 0.00 175.17 176.78 2pkr n LEU 193 N 6.95 0.34 -0.04 -1.34 4.77 -1.26 -1.21 117.00 125.21 2pkr n LEU 193 Ca -0.05 0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 2pkr n LEU 193 Cb 0.45 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2pkr n LEU 193 CO 0.60 -0.72 -0.99 0.54 -1.33 0.00 0.00 177.39 175.49 2pkr n ARG 194 N -1.96 0.72 0.00 3.23 1.74 -1.26 -3.87 116.66 115.26 2pkr n ARG 194 Ca -0.01 0.23 0.06 0.00 -0.77 0.00 0.00 57.85 57.36 2pkr n ARG 194 Cb 0.13 -1.64 0.28 0.00 -1.02 0.00 0.00 32.46 30.20 2pkr n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pkr n ARG 195 N -3.44 0.12 0.11 5.56 1.74 -0.35 -1.64 116.66 118.77 2pkr n ARG 195 Ca -0.37 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.05 2pkr n ARG 195 Cb 1.02 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 31.33 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 2.51 0.96 -2.49 7.54 0.00 -1.49 -2.92 119.26 123.37 2pkr h ALA 196 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2pkr h ALA 196 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pkr h ALA 196 CO 0.00 0.00 0.06 1.03 0.00 0.00 0.00 179.25 180.34 2pkr s ARG 197 N -3.11 4.12 -0.47 0.00 1.81 -0.65 -0.96 118.95 119.69 2pkr s ARG 197 Ca 0.10 0.72 -0.33 0.00 -1.72 0.00 0.00 55.73 54.50 2pkr s ARG 197 Cb 0.12 -2.78 -0.15 0.00 -0.45 0.00 0.00 34.95 31.69 2pkr s ARG 197 CO 0.61 0.35 1.77 0.00 -0.68 0.00 0.00 175.30 177.35 2pkr n ALA 198 N 0.45 0.18 0.14 2.13 0.00 -1.26 -4.48 120.51 117.68 2pkr n ALA 198 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.53 2pkr n ALA 198 Cb 0.52 -1.67 0.38 0.00 0.00 0.00 0.00 19.45 18.68 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 7.53 1.47 -0.01 0.00 0.00 -1.30 -2.82 119.26 124.14 2pkr h ALA 199 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pkr h ALA 199 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pkr h ALA 199 CO 0.90 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 180.30 2pkr n LEU 201 N -0.88 0.64 -4.30 0.00 4.77 -1.08 -4.73 117.00 111.43 2pkr n LEU 201 Ca 0.12 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.55 2pkr n LEU 201 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2pkr n LEU 201 CO 0.26 0.16 -0.28 0.20 -1.33 0.00 0.00 177.39 176.40 2pkr s ASN 202 N -2.98 1.26 -0.35 -1.43 -0.87 -1.14 -5.07 114.94 104.37 2pkr s ASN 202 Ca 0.04 -1.31 -0.12 0.00 -1.57 0.00 0.00 52.86 49.90 2pkr s ASN 202 Cb 0.13 0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.50 2pkr s ASN 202 CO 0.73 -0.66 0.21 -0.63 -2.57 0.00 0.00 177.10 174.18 2pkr s ILE 203 N -3.69 4.85 -0.39 0.60 1.01 -1.26 -4.08 121.20 118.24 2pkr s ILE 203 Ca 0.33 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2pkr s ILE 203 Cb 0.07 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 39.02 2pkr s ILE 203 CO 0.10 -0.09 0.21 -0.69 0.00 0.00 0.00 174.94 174.47 2pkr s VAL 204 N 1.63 4.13 0.42 2.92 1.01 0.18 -4.91 120.40 125.78 2pkr s VAL 204 Ca 0.04 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 2pkr s VAL 204 Cb -0.18 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2pkr s VAL 204 CO 0.08 -0.38 1.14 -2.84 0.00 0.00 0.00 175.10 173.10 2pkr s PRO 205 N 1.43 3.99 0.12 2.72 0.02 -1.26 -0.06 135.00 141.96 2pkr s PRO 205 Ca 0.02 1.74 -0.23 0.00 0.02 0.00 0.00 61.00 62.55 2pkr s PRO 205 Cb -0.21 -2.56 0.06 0.00 0.02 0.00 0.00 34.50 31.80 2pkr s PRO 205 CO 0.03 -0.34 0.57 -0.08 -0.33 0.00 0.00 177.00 176.84 2pkr s THR 206 N -1.51 0.01 0.72 0.99 -1.32 0.09 -4.70 115.64 109.93 2pkr s THR 206 Ca 0.59 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.84 2pkr s THR 206 Cb -0.28 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 69.72 2pkr s THR 206 CO 0.35 -0.07 1.08 -0.94 -2.21 0.00 0.00 174.62 172.83 2pkr s SER 207 N -2.52 4.98 -0.04 8.08 1.04 -1.26 -0.93 113.70 123.05 2pkr s SER 207 Ca -0.01 1.74 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 2pkr s SER 207 Cb -0.00 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.62 2pkr s SER 207 CO -0.09 -1.71 0.17 0.28 0.98 0.00 0.00 173.24 172.86 2pkr s THR 208 N -2.91 0.04 -1.88 2.02 -1.32 -1.26 -4.62 115.64 105.70 2pkr s THR 208 Ca 0.60 -0.30 0.18 0.00 -1.21 0.00 0.00 61.69 60.96 2pkr s THR 208 Cb -0.16 -0.35 0.06 0.00 -1.51 0.00 0.00 72.50 70.55 2pkr s THR 208 CO 0.54 -0.16 0.97 0.61 -2.21 0.00 0.00 174.62 174.37 2pkr n GLY 209 N 2.30 0.16 0.40 6.08 0.00 -1.26 -4.52 105.19 108.35 2pkr n GLY 209 Ca -0.17 -0.50 0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 3.22 2.29 -0.08 4.61 0.00 -1.96 0.38 119.26 127.72 2pkr h ALA 210 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pkr h ALA 210 Cb 0.66 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pkr h ALA 210 CO 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 179.25 178.46 2pkr h ALA 211 N 1.67 0.10 -0.07 0.00 0.00 -1.91 -0.41 119.26 118.65 2pkr h ALA 211 Ca 0.69 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.30 2pkr h ALA 211 Cb 1.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2pkr h ALA 211 CO -0.41 -0.27 -0.70 1.57 0.00 0.00 0.00 179.25 179.44 2pkr h LYS 212 N -0.09 0.31 -0.25 0.00 2.10 -1.53 -3.15 116.57 113.96 2pkr h LYS 212 Ca 0.02 -0.25 -0.03 0.00 -2.00 0.00 0.00 60.65 58.40 2pkr h LYS 212 Cb 0.25 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2pkr h LYS 212 CO 0.00 0.89 0.01 0.00 -2.00 0.00 0.00 179.45 178.35 2pkr h ALA 213 N 1.04 1.57 -0.96 0.07 0.00 -0.01 -1.12 119.26 119.85 2pkr h ALA 213 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2pkr h ALA 213 Cb 1.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2pkr h ALA 213 CO 0.11 0.32 0.63 0.28 0.00 0.00 0.00 179.25 180.60 2pkr h VAL 214 N 0.35 1.22 0.00 0.00 2.07 -1.03 -0.63 116.25 118.23 2pkr h VAL 214 Ca 0.08 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2pkr h VAL 214 Cb 0.22 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2pkr h VAL 214 CO 0.00 0.23 -0.16 0.00 0.02 0.00 0.00 177.57 177.66 2pkr h ALA 215 N 1.41 1.60 -0.70 1.67 0.00 -1.28 0.31 119.26 122.27 2pkr h ALA 215 Ca 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2pkr h ALA 215 Cb -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pkr h ALA 215 CO -0.09 0.20 0.20 -0.07 0.00 0.00 0.00 179.25 179.50 2pkr h LEU 216 N 0.00 1.04 0.00 0.00 3.38 -0.93 -2.29 115.31 116.50 2pkr h LEU 216 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2pkr h LEU 216 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pkr h LEU 216 CO 0.02 0.98 -0.93 1.33 0.09 0.00 0.00 178.44 179.93 2pkr n VAL 217 N -4.28 0.05 -3.51 1.22 0.24 -0.83 -4.51 118.33 106.70 2pkr n VAL 217 Ca 0.05 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.34 61.98 2pkr n VAL 217 Cb 0.23 0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 33.03 2pkr n VAL 217 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pkr s LEU 218 N -3.34 2.07 0.48 1.34 1.43 0.10 -4.54 118.68 116.22 2pkr s LEU 218 Ca 0.07 -3.09 0.30 0.00 -1.03 0.00 0.00 54.13 50.38 2pkr s LEU 218 Cb 0.16 -0.69 1.39 0.00 0.03 0.00 0.00 46.19 47.08 2pkr s LEU 218 CO 0.81 -0.18 1.78 -0.65 0.23 0.00 0.00 176.35 178.34 2pkr h PRO 219 N 5.81 0.14 -0.00 1.29 0.11 -1.64 -0.64 132.00 137.07 2pkr h PRO 219 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2pkr h PRO 219 Cb 0.89 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2pkr h PRO 219 CO 0.43 0.09 0.00 -0.91 -0.21 0.00 0.00 178.00 177.41 2pkr h ASN 220 N 0.15 0.00 -0.28 -2.05 4.21 -1.95 -0.89 115.58 114.77 2pkr h ASN 220 Ca 0.60 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.11 2pkr h ASN 220 Cb 2.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.25 2pkr h ASN 220 CO -0.14 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.18 2pkr n LEU 221 N -3.26 2.65 -4.64 1.61 7.99 -0.25 -4.94 117.00 116.16 2pkr n LEU 221 Ca -0.03 -1.12 -0.48 0.00 -0.01 0.00 0.00 56.01 54.37 2pkr n LEU 221 Cb 0.08 -0.18 -0.05 0.00 -0.11 0.00 0.00 43.42 43.16 2pkr n LEU 221 CO 0.22 0.56 1.06 1.17 -1.51 0.00 0.00 177.39 178.88 2pkr n LYS 222 N 0.97 1.78 -0.89 3.23 4.81 -0.34 -1.34 118.16 126.38 2pkr n LYS 222 Ca 0.18 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2pkr n LYS 222 Cb 0.48 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 2.91 0.25 0.01 3.14 0.00 -1.26 -4.83 105.19 105.42 2pkr n GLY 223 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.03 0.33 -4.31 1.61 5.02 -0.45 -5.00 118.16 114.32 2pkr n LYS 224 Ca 0.00 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.05 2pkr n LYS 224 Cb 0.20 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 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 -3.86 2.36 0.21 -0.35 1.43 -1.26 -1.29 118.68 115.93 2pkr s LEU 225 Ca 0.01 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.75 2pkr s LEU 225 Cb 0.15 -0.37 0.05 0.00 0.03 0.00 0.00 46.19 46.05 2pkr s LEU 225 CO 0.87 -0.41 0.87 0.54 0.23 0.00 0.00 176.35 178.45 2pkr s ASN 226 N -3.28 -0.19 0.00 2.29 2.20 -1.20 -4.55 114.94 110.21 2pkr s ASN 226 Ca 0.24 -0.53 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 2pkr s ASN 226 Cb 0.04 0.59 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 2pkr s ASN 226 CO 0.06 -1.10 0.00 0.61 -2.94 0.00 0.00 177.10 173.73 2pkr n GLY 227 N -0.48 -1.50 3.42 0.45 0.00 -1.26 -1.31 105.19 104.50 2pkr n GLY 227 Ca -0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2pkr n GLY 227 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pkr s ILE 228 N -2.63 0.00 0.06 -0.61 2.07 -0.55 -4.47 121.20 115.07 2pkr s ILE 228 Ca 0.00 -1.70 0.09 0.00 -1.41 0.00 0.00 60.65 57.63 2pkr s ILE 228 Cb 0.00 -2.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.09 2pkr s ILE 228 CO 0.00 0.00 -0.25 0.00 -1.91 0.00 0.00 174.94 172.78 2pkr s ALA 229 N -3.65 2.11 -0.25 1.50 0.00 -0.10 -1.46 121.76 119.91 2pkr s ALA 229 Ca 0.32 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2pkr s ALA 229 Cb 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.79 2pkr s ALA 229 CO 0.16 0.49 -0.07 -0.51 0.00 0.00 0.00 175.76 175.82 2pkr s LEU 230 N -1.38 2.99 -0.00 0.00 1.43 0.15 -0.73 118.68 121.13 2pkr s LEU 230 Ca 0.11 -1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 51.63 2pkr s LEU 230 Cb -0.10 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2pkr s LEU 230 CO 0.03 -0.22 0.89 -0.13 0.23 0.00 0.00 176.35 177.15 2pkr s ARG 231 N 1.26 4.54 0.24 1.70 1.81 0.91 -0.28 118.95 129.12 2pkr s ARG 231 Ca -0.07 1.26 0.06 0.00 -1.72 0.00 0.00 55.73 55.26 2pkr s ARG 231 Cb -0.19 -3.44 -0.05 0.00 -0.45 0.00 0.00 34.95 30.81 2pkr s ARG 231 CO -0.06 0.03 -0.08 0.14 -0.68 0.00 0.00 175.30 174.65 2pkr s VAL 232 N 0.79 1.55 0.00 3.52 -7.23 0.08 0.47 120.40 119.57 2pkr s VAL 232 Ca 0.47 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2pkr s VAL 232 Cb -0.20 -2.25 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 2pkr s VAL 232 CO 0.25 -0.43 1.40 -2.65 -0.31 0.00 0.00 175.10 173.36 2pkr n PRO 233 N -0.46 0.60 -4.88 4.82 -0.02 -1.26 -2.94 135.00 130.85 2pkr n PRO 233 Ca -0.07 -0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 60.88 2pkr n PRO 233 Cb 0.62 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 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 2.29 1.45 -0.44 3.45 -4.23 -1.26 -5.00 115.64 111.89 2pkr s THR 234 Ca 0.19 -0.78 0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2pkr s THR 234 Cb 0.09 -1.20 0.30 0.00 1.34 0.00 0.00 72.50 73.03 2pkr s THR 234 CO 0.00 0.41 1.77 1.55 -0.54 0.00 0.00 174.62 177.81 2pkr h PRO 235 N 5.71 0.00 -2.23 3.99 0.13 -1.87 -0.98 132.00 136.76 2pkr h PRO 235 Ca -0.37 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2pkr h PRO 235 Cb 1.15 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 2pkr h PRO 235 CO 0.48 0.00 0.44 1.21 -0.23 0.00 0.00 178.00 179.90 2pkr s ASN 236 N -4.91 -0.42 0.00 1.44 2.47 -1.26 -4.69 114.94 107.57 2pkr s ASN 236 Ca 0.06 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.47 2pkr s ASN 236 Cb 0.10 0.41 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 2pkr s ASN 236 CO 0.53 -0.62 0.00 0.52 -3.72 0.00 0.00 177.10 173.81 2pkr n VAL 237 N 0.01 -1.09 -4.47 -5.21 0.31 -1.26 -4.85 118.33 101.76 2pkr n VAL 237 Ca -0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 2pkr n VAL 237 Cb 0.61 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 32.36 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 -0.57 2.51 -0.11 4.52 0.01 0.56 -3.73 113.70 116.89 2pkr s SER 238 Ca 0.00 -1.61 -0.08 0.00 1.31 0.00 0.00 55.95 55.57 2pkr s SER 238 Cb 0.00 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.66 2pkr s SER 238 CO 0.00 -0.88 0.27 0.54 0.41 0.00 0.00 173.24 173.58 2pkr s VAL 239 N -3.29 -0.01 -0.13 3.43 0.11 -0.46 -1.12 120.40 118.93 2pkr s VAL 239 Ca 0.28 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.32 2pkr s VAL 239 Cb 0.04 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2pkr s VAL 239 CO 0.15 0.02 0.08 0.68 -3.33 0.00 0.00 175.10 172.71 2pkr s VAL 240 N 0.59 5.00 -0.28 2.04 -7.23 0.54 -1.04 120.40 120.01 2pkr s VAL 240 Ca -0.04 0.02 -0.04 0.00 -1.81 0.00 0.00 61.98 60.12 2pkr s VAL 240 Cb -0.05 -3.18 0.03 0.00 0.56 0.00 0.00 36.38 33.74 2pkr s VAL 240 CO -0.03 0.57 0.01 -0.62 -0.31 0.00 0.00 175.10 174.72 2pkr s ASP 241 N -0.62 4.78 -0.11 4.85 2.15 0.86 -1.45 116.67 127.13 2pkr s ASP 241 Ca 0.12 -0.94 0.02 0.00 0.43 0.00 0.00 52.55 52.18 2pkr s ASP 241 Cb -0.12 -1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 40.74 2pkr s ASP 241 CO 0.02 -0.20 -0.19 -0.22 -0.17 0.00 0.00 175.17 174.41 2pkr s LEU 242 N 1.37 2.36 -0.18 -1.34 2.96 0.47 -1.05 118.68 123.27 2pkr s LEU 242 Ca -0.01 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2pkr s LEU 242 Cb -0.18 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.04 2pkr s LEU 242 CO -0.01 0.17 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 2pkr s VAL 243 N 0.30 1.93 0.02 1.68 1.01 -0.19 -0.20 120.40 124.95 2pkr s VAL 243 Ca -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2pkr s VAL 243 Cb -0.17 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2pkr s VAL 243 CO 0.07 0.44 -0.07 0.68 0.00 0.00 0.00 175.10 176.23 2pkr s VAL 244 N 1.32 0.50 -0.13 2.92 -7.23 -0.34 -0.53 120.40 116.91 2pkr s VAL 244 Ca 0.03 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 2pkr s VAL 244 Cb -0.14 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2pkr s VAL 244 CO -0.11 -0.08 0.40 -1.58 -0.31 0.00 0.00 175.10 173.42 2pkr s GLN 245 N -0.72 4.29 0.28 4.82 0.74 -0.37 -0.06 119.66 128.63 2pkr s GLN 245 Ca -0.03 0.31 0.10 0.00 0.05 0.00 0.00 55.36 55.79 2pkr s GLN 245 Cb -0.05 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 2pkr s GLN 245 CO 0.00 0.21 0.00 0.14 -0.55 0.00 0.00 175.29 175.09 2pkr s VAL 246 N 0.50 3.30 0.09 1.34 -7.23 0.02 -0.60 120.40 117.83 2pkr s VAL 246 Ca 0.22 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2pkr s VAL 246 Cb -0.14 -2.83 -0.23 0.00 0.56 0.00 0.00 36.38 33.74 2pkr s VAL 246 CO 0.08 -0.35 1.18 0.77 -0.31 0.00 0.00 175.10 176.47 2pkr h SER 247 N 1.87 0.09 -3.71 4.85 4.64 0.18 -3.45 113.55 118.01 2pkr h SER 247 Ca -0.44 -0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 60.16 2pkr h SER 247 Cb 1.25 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2pkr h SER 247 CO 0.61 1.08 -0.25 -1.59 -0.87 0.00 0.00 176.83 175.81 2pkr s LYS 248 N -2.69 4.02 0.45 4.77 -2.85 -0.70 -5.05 119.74 117.70 2pkr s LYS 248 Ca -0.01 0.04 -0.25 0.00 -1.00 0.00 0.00 55.97 54.75 2pkr s LYS 248 Cb 0.09 -3.65 -0.09 0.00 -2.06 0.00 0.00 37.83 32.13 2pkr s LYS 248 CO 0.83 -0.26 1.31 1.63 0.10 0.00 0.00 175.35 178.96 2pkr n LYS 249 N 5.26 1.94 -1.64 1.78 5.02 -1.26 -4.86 118.16 124.40 2pkr n LYS 249 Ca -0.09 0.69 -0.02 0.00 -2.02 0.00 0.00 58.31 56.88 2pkr n LYS 249 Cb 0.51 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 -0.36 0.00 -3.98 -0.18 5.66 0.23 -5.02 114.28 110.63 2pkr n THR 250 Ca 0.07 -0.22 -0.08 0.00 -3.05 0.00 0.00 64.05 60.77 2pkr n THR 250 Cb 0.41 0.18 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 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 -6.88 0.36 0.24 1.09 -0.71 -1.26 -4.58 117.98 106.23 2pkr s PHE 251 Ca 0.04 -0.84 -0.06 0.00 -1.04 0.00 0.00 56.93 55.02 2pkr s PHE 251 Cb -0.01 -0.23 0.43 0.00 -1.21 0.00 0.00 43.02 42.00 2pkr s PHE 251 CO 0.03 -0.47 1.67 0.00 -1.34 0.00 0.00 175.22 175.11 2pkr h ALA 252 N 2.94 0.86 -0.09 1.99 0.00 -1.88 -2.09 119.26 120.99 2pkr h ALA 252 Ca -0.34 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2pkr h ALA 252 Cb 1.17 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2pkr h ALA 252 CO 0.61 -0.37 -0.38 0.93 0.00 0.00 0.00 179.25 180.04 2pkr h GLU 253 N 0.21 0.18 -0.41 0.00 3.07 -1.96 -1.13 114.58 114.54 2pkr h GLU 253 Ca 0.40 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 2pkr h GLU 253 Cb 0.68 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2pkr h GLU 253 CO -0.54 0.54 -0.12 1.49 -1.40 0.00 0.00 179.01 178.98 2pkr h GLU 254 N 0.16 0.80 -0.14 2.33 4.81 -1.83 -0.57 114.58 120.14 2pkr h GLU 254 Ca 0.02 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2pkr h GLU 254 Cb 0.75 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2pkr h GLU 254 CO 0.06 0.94 0.09 0.28 -0.73 0.00 0.00 179.01 179.64 2pkr h VAL 255 N 0.62 1.03 -0.81 0.32 2.07 -1.08 -0.42 116.25 117.97 2pkr h VAL 255 Ca 0.10 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2pkr h VAL 255 Cb 0.66 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2pkr h VAL 255 CO 0.05 0.03 0.53 0.78 0.02 0.00 0.00 177.57 178.97 2pkr h ASN 256 N 0.18 0.88 -0.53 0.57 -0.26 -1.14 -2.25 115.58 113.03 2pkr h ASN 256 Ca 0.05 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2pkr h ASN 256 Cb -0.01 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 2pkr h ASN 256 CO -0.02 0.62 0.32 0.00 -1.06 0.00 0.00 177.43 177.30 2pkr h ALA 257 N 1.32 0.67 -0.66 -0.83 0.00 -0.38 -1.41 119.26 117.97 2pkr h ALA 257 Ca 0.31 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2pkr h ALA 257 Cb -0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2pkr h ALA 257 CO -0.10 0.04 0.44 0.00 0.00 0.00 0.00 179.25 179.64 2pkr h ALA 258 N 1.23 1.82 -0.10 0.00 0.00 -0.58 -0.50 119.26 121.13 2pkr h ALA 258 Ca 0.21 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2pkr h ALA 258 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pkr h ALA 258 CO -0.08 0.06 -0.71 0.74 0.00 0.00 0.00 179.25 179.25 2pkr h PHE 259 N 0.61 0.65 -0.45 0.00 0.04 -0.81 -3.01 116.94 113.98 2pkr h PHE 259 Ca 0.29 -0.28 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 2pkr h PHE 259 Cb 0.36 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2pkr h PHE 259 CO -0.00 1.04 -0.21 0.00 -0.60 0.00 0.00 178.31 178.54 2pkr h ARG 260 N 0.34 0.90 -0.17 1.51 3.08 -0.11 -1.26 114.38 118.67 2pkr h ARG 260 Ca -0.03 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.70 2pkr h ARG 260 Cb 1.29 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 2pkr h ARG 260 CO 0.13 1.02 -0.14 0.93 -1.07 0.00 0.00 179.97 180.84 2pkr h GLU 261 N 0.78 -0.14 -0.65 0.04 5.08 -1.19 0.11 114.58 118.61 2pkr h GLU 261 Ca 0.11 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2pkr h GLU 261 Cb 0.75 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2pkr h GLU 261 CO 0.06 -0.09 0.21 0.77 -1.00 0.00 0.00 179.01 178.95 2pkr h SER 262 N -0.15 0.95 -0.70 1.42 0.02 -1.45 -2.44 113.55 111.20 2pkr h SER 262 Ca 0.10 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2pkr h SER 262 Cb 0.30 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2pkr h SER 262 CO -0.26 0.91 0.47 0.00 -1.14 0.00 0.00 176.83 176.81 2pkr h ALA 263 N 1.08 1.50 -0.01 3.77 0.00 -0.31 0.39 119.26 125.68 2pkr h ALA 263 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 263 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pkr h ALA 263 CO -0.01 0.47 -0.02 -0.25 0.00 0.00 0.00 179.25 179.44 2pkr n ASP 264 N -4.43 0.94 0.00 0.00 8.00 0.31 -2.95 116.55 118.43 2pkr n ASP 264 Ca 0.07 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2pkr n ASP 264 Cb 0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.31 0.00 0.29 -2.24 3.02 -0.55 -4.85 115.26 110.62 2pkr n ASN 265 Ca 0.20 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.91 2pkr n ASN 265 Cb 0.28 0.00 0.94 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.30 3.52 9.09 -1.78 -2.54 114.58 122.56 2pkr h GLU 266 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pkr h GLU 266 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2pkr h GLU 266 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 2pkr n LEU 267 N -3.74 3.96 -4.67 3.06 4.77 0.13 -4.99 117.00 115.51 2pkr n LEU 267 Ca -0.02 -2.90 -0.45 0.00 -0.03 0.00 0.00 56.01 52.61 2pkr n LEU 267 Cb 0.13 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2pkr n LEU 267 CO 0.26 0.68 1.21 1.17 -1.33 0.00 0.00 177.39 179.38 2pkr n LYS 268 N -0.28 2.22 -0.53 3.23 4.81 -0.96 -0.41 118.16 126.24 2pkr n LYS 268 Ca 0.21 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2pkr n LYS 268 Cb 0.87 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.35 2pkr n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 269 N 3.45 1.27 0.45 3.14 0.00 -1.26 -4.79 105.19 107.45 2pkr n GLY 269 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.04 -5.16 -0.61 2.08 0.45 -4.24 119.36 109.92 2pkr n ILE 270 Ca 0.00 -0.01 -0.30 0.00 0.56 0.00 0.00 62.75 63.00 2pkr n ILE 270 Cb 0.00 -0.98 -0.16 0.00 -0.75 0.00 0.00 39.64 37.75 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 -5.51 2.03 0.17 1.39 2.96 -0.29 -0.47 118.68 118.96 2pkr s LEU 271 Ca -0.01 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2pkr s LEU 271 Cb 0.00 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2pkr s LEU 271 CO 0.02 0.24 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.75 2pkr s SER 272 N -0.26 2.03 -0.12 3.68 0.01 -0.30 -4.52 113.70 114.22 2pkr s SER 272 Ca 0.01 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.23 2pkr s SER 272 Cb -0.12 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2pkr s SER 272 CO 0.02 -0.31 -0.12 -0.69 0.41 0.00 0.00 173.24 172.55 2pkr s VAL 273 N -3.24 1.33 -0.18 3.43 1.01 -1.26 -1.05 120.40 120.44 2pkr s VAL 273 Ca 0.20 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2pkr s VAL 273 Cb 0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2pkr s VAL 273 CO 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 2pkr n ASP 275 N 3.91 2.92 -4.82 0.00 8.00 -1.26 -2.17 116.55 123.13 2pkr n ASP 275 Ca -0.17 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.06 2pkr n ASP 275 Cb 0.52 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.66 4.13 -1.19 -1.24 8.01 -1.26 -4.84 118.70 120.65 2pkr s GLU 276 Ca 0.28 0.69 -0.19 0.00 0.01 0.00 0.00 54.97 55.76 2pkr s GLU 276 Cb 0.19 -3.00 -0.03 0.00 -4.31 0.00 0.00 34.13 26.98 2pkr s GLU 276 CO 0.27 0.49 1.98 -0.35 0.01 0.00 0.00 175.26 177.67 2pkr n PRO 277 N 1.01 2.36 -2.89 0.39 -0.04 -1.26 -4.92 135.00 129.66 2pkr n PRO 277 Ca -0.06 -2.54 -0.19 0.00 -0.04 0.00 0.00 63.50 60.68 2pkr n PRO 277 Cb 0.51 -3.31 0.03 0.00 -0.04 0.00 0.00 33.50 30.68 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 3.88 3.47 0.33 1.53 1.43 -1.26 -5.13 118.68 122.93 2pkr s LEU 278 Ca 0.55 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2pkr s LEU 278 Cb 0.09 -2.59 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 2pkr s LEU 278 CO 0.04 -0.96 0.01 0.68 0.23 0.00 0.00 176.35 176.35 2pkr s VAL 279 N -2.52 1.54 0.45 -1.59 -7.23 -1.26 -5.05 120.40 104.74 2pkr s VAL 279 Ca 0.57 -2.05 0.33 0.00 -1.81 0.00 0.00 61.98 59.02 2pkr s VAL 279 Cb -0.09 -2.73 0.52 0.00 0.56 0.00 0.00 36.38 34.64 2pkr s VAL 279 CO 0.35 -0.10 1.61 0.77 -0.31 0.00 0.00 175.10 177.43 2pkr h SER 280 N 2.09 0.20 1.80 4.85 4.64 -1.98 -0.82 113.55 124.33 2pkr h SER 280 Ca -0.41 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 2pkr h SER 280 Cb 1.24 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2pkr h SER 280 CO 0.71 -0.17 -0.09 -0.29 -0.87 0.00 0.00 176.83 176.12 2pkr h ILE 281 N 0.06 0.16 0.00 0.95 -0.00 -1.96 -2.81 117.51 113.90 2pkr h ILE 281 Ca 0.84 -1.16 -0.03 0.00 -0.00 0.00 0.00 64.86 64.51 2pkr h ILE 281 Cb 2.74 2.02 -0.00 0.00 -0.00 0.00 0.00 36.82 41.57 2pkr h ILE 281 CO -0.38 0.09 -0.14 0.44 -0.00 0.00 0.00 178.15 178.16 2pkr h ASP 282 N 0.00 0.00 -0.13 2.19 3.32 -1.55 -2.94 116.42 117.30 2pkr h ASP 282 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pkr h ASP 282 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2pkr h ASP 282 CO 0.01 0.14 0.00 0.49 -1.72 0.00 0.00 179.24 178.16 2pkr n PHE 283 N -4.05 0.16 -1.97 4.55 3.72 -1.06 -4.92 117.46 113.89 2pkr n PHE 283 Ca -0.02 -0.08 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 2pkr n PHE 283 Cb 0.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.84 4.24 -0.87 -1.08 0.52 -1.11 -3.06 118.95 115.76 2pkr s ARG 284 Ca 0.33 2.38 -0.04 0.00 -0.52 0.00 0.00 55.73 57.88 2pkr s ARG 284 Cb 0.18 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2pkr s ARG 284 CO 0.27 -0.36 0.75 0.00 0.02 0.00 0.00 175.30 175.98 2pkr s THR 286 N -3.22 5.09 0.49 0.00 2.01 -1.17 -4.96 115.64 113.87 2pkr s THR 286 Ca 0.25 -1.29 0.20 0.00 0.31 0.00 0.00 61.69 61.16 2pkr s THR 286 Cb -0.11 -4.14 0.36 0.00 0.01 0.00 0.00 72.50 68.62 2pkr s THR 286 CO 0.49 -0.69 2.00 0.44 -0.69 0.00 0.00 174.62 176.17 2pkr h ASP 287 N 8.76 0.15 -3.25 3.53 3.32 -1.92 -3.31 116.42 123.70 2pkr h ASP 287 Ca -0.28 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.34 2pkr h ASP 287 Cb 1.10 -0.03 0.21 0.00 0.22 0.00 0.00 39.33 40.84 2pkr h ASP 287 CO 0.92 0.09 0.01 0.68 -1.72 0.00 0.00 179.24 179.22 2pkr s VAL 288 N -5.17 2.01 -0.12 -1.35 -7.23 -1.26 -4.80 120.40 102.48 2pkr s VAL 288 Ca -0.06 0.00 0.20 0.00 -1.81 0.00 0.00 61.98 60.31 2pkr s VAL 288 Cb 0.20 -2.06 -0.23 0.00 0.56 0.00 0.00 36.38 34.85 2pkr s VAL 288 CO 0.73 -0.00 0.52 -1.20 -0.31 0.00 0.00 175.10 174.84 2pkr n SER 289 N -4.95 0.32 -3.66 4.85 7.64 0.38 -4.64 113.62 113.56 2pkr n SER 289 Ca 0.03 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 2pkr n SER 289 Cb 0.54 1.07 -0.09 0.00 -1.01 0.00 0.00 64.21 64.73 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 -5.21 -0.75 -0.19 6.43 0.15 -0.85 -3.98 113.70 109.31 2pkr s SER 290 Ca -0.06 1.24 0.01 0.00 0.70 0.00 0.00 55.95 57.84 2pkr s SER 290 Cb 0.10 1.13 0.03 0.00 -1.71 0.00 0.00 66.02 65.57 2pkr s SER 290 CO 0.85 -0.22 -0.14 -0.89 1.20 0.00 0.00 173.24 174.04 2pkr s THR 291 N 1.42 1.83 0.14 6.45 2.01 -0.44 -1.15 115.64 125.90 2pkr s THR 291 Ca -0.09 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 2pkr s THR 291 Cb -0.06 -1.78 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 2pkr s THR 291 CO -0.15 0.33 1.13 -0.63 -0.69 0.00 0.00 174.62 174.61 2pkr s ILE 292 N 1.35 3.92 -0.80 1.82 -1.09 -0.22 0.41 121.20 126.59 2pkr s ILE 292 Ca 0.01 1.56 -0.17 0.00 -2.23 0.00 0.00 60.65 59.82 2pkr s ILE 292 Cb -0.15 -4.00 0.16 0.00 -1.58 0.00 0.00 42.46 36.90 2pkr s ILE 292 CO -0.10 0.22 0.86 -0.62 -1.23 0.00 0.00 174.94 174.07 2pkr s ASP 293 N 0.27 6.58 0.24 3.58 -1.08 -0.49 -0.44 116.67 125.32 2pkr s ASP 293 Ca 0.52 -2.19 -0.07 0.00 -0.52 0.00 0.00 52.55 50.29 2pkr s ASP 293 Cb -0.29 -2.29 0.41 0.00 -1.46 0.00 0.00 42.92 39.29 2pkr s ASP 293 CO 0.33 -0.85 1.66 0.77 0.52 0.00 0.00 175.17 177.60 2pkr h SER 294 N 8.45 -0.19 0.27 -0.34 4.64 -1.74 -2.17 113.55 122.47 2pkr h SER 294 Ca 0.02 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2pkr h SER 294 Cb 1.05 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2pkr h SER 294 CO 0.95 -0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 175.26 2pkr n SER 295 N -5.26 0.00 0.00 4.97 3.41 -1.26 -2.02 113.62 113.46 2pkr n SER 295 Ca 0.13 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 59.08 2pkr n SER 295 Cb 0.44 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.81 -4.73 1.04 4.77 -0.82 -4.96 117.00 111.77 2pkr n LEU 296 Ca 0.05 -0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 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 0.09 0.20 1.19 -0.89 -1.33 0.00 0.00 177.39 176.65 2pkr s THR 297 N -3.08 2.62 0.08 -5.08 2.01 -0.85 -4.76 115.64 106.57 2pkr s THR 297 Ca 0.06 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.56 2pkr s THR 297 Cb 0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2pkr s THR 297 CO 0.86 0.05 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.69 2pkr s MET 298 N 0.66 0.76 -0.07 4.92 -1.94 -0.85 -4.83 119.30 117.95 2pkr s MET 298 Ca 0.67 -1.01 -0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2pkr s MET 298 Cb -0.43 -0.53 0.03 0.00 2.01 0.00 0.00 34.83 35.90 2pkr s MET 298 CO 0.35 0.10 -0.02 0.08 -0.01 0.00 0.00 175.02 175.51 2pkr s VAL 299 N -1.91 0.53 -0.07 -6.03 1.01 -1.26 -0.71 120.40 111.95 2pkr s VAL 299 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2pkr s VAL 299 Cb -0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2pkr s VAL 299 CO 0.01 0.27 -0.09 -0.04 0.00 0.00 0.00 175.10 175.25 2pkr s MET 300 N 1.65 2.81 -1.86 2.72 -1.94 0.20 -4.60 119.30 118.29 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 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.15 2pkr s MET 300 CO -0.04 0.59 0.00 0.41 -0.01 0.00 0.00 175.02 175.96 2pkr n GLY 301 N 2.45 0.11 4.64 -0.03 0.00 -1.26 -1.11 105.19 109.98 2pkr n GLY 301 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.84 0.00 0.00 1.61 8.00 -1.26 -4.49 116.55 118.57 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 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.05 0.84 -4.24 -2.24 5.68 -1.19 -0.60 116.55 114.85 2pkr n ASP 303 Ca 0.00 -1.25 -0.42 0.00 -0.50 0.00 0.00 54.79 52.62 2pkr n ASP 303 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.25 2.64 -0.13 0.11 1.75 -0.27 -0.80 119.30 122.36 2pkr s MET 304 Ca 0.00 -1.74 -0.15 0.00 -1.25 0.00 0.00 55.69 52.56 2pkr s MET 304 Cb 0.00 -4.04 -0.05 0.00 2.84 0.00 0.00 34.83 33.59 2pkr s MET 304 CO 0.00 -1.23 0.34 0.08 -0.65 0.00 0.00 175.02 173.57 2pkr s VAL 305 N 1.44 5.25 -0.15 10.11 1.01 0.91 -0.63 120.40 138.34 2pkr s VAL 305 Ca 0.05 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2pkr s VAL 305 Cb -0.27 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2pkr s VAL 305 CO 0.01 0.41 -0.16 -0.75 0.00 0.00 0.00 175.10 174.60 2pkr s LYS 306 N 0.26 3.21 -0.02 2.72 2.20 0.11 -1.20 119.74 127.02 2pkr s LYS 306 Ca 0.20 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2pkr s LYS 306 Cb -0.14 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2pkr s LYS 306 CO 0.06 0.05 -0.18 0.08 -0.36 0.00 0.00 175.35 175.00 2pkr s VAL 307 N 0.72 1.46 -0.15 4.02 1.01 0.72 -2.02 120.40 126.17 2pkr s VAL 307 Ca -0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2pkr s VAL 307 Cb -0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2pkr s VAL 307 CO 0.01 0.41 -0.12 -0.63 0.00 0.00 0.00 175.10 174.78 2pkr s ILE 308 N -0.28 3.02 -0.02 2.22 -1.09 -1.26 -0.40 121.20 123.40 2pkr s ILE 308 Ca 0.04 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.82 2pkr s ILE 308 Cb -0.09 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 2pkr s ILE 308 CO 0.00 0.50 -0.05 0.00 -1.23 0.00 0.00 174.94 174.17 2pkr s ALA 309 N 0.66 0.49 0.26 9.38 0.00 -0.53 -1.40 121.76 130.62 2pkr s ALA 309 Ca -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2pkr s ALA 309 Cb -0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2pkr s ALA 309 CO 0.02 0.07 0.49 -1.58 0.00 0.00 0.00 175.76 174.76 2pkr s TRP 310 N 0.22 3.48 -0.27 0.00 0.52 0.17 -0.34 118.94 122.72 2pkr s TRP 310 Ca -0.02 0.50 -0.21 0.00 0.02 0.00 0.00 56.10 56.39 2pkr s TRP 310 Cb -0.06 -1.99 0.07 0.00 -1.15 0.00 0.00 33.47 30.34 2pkr s TRP 310 CO -0.00 0.25 0.69 1.52 0.02 0.00 0.00 176.95 179.43 2pkr s TYR 311 N -2.01 -0.88 -0.81 -1.98 1.13 -0.27 -1.32 117.35 111.20 2pkr s TYR 311 Ca 0.41 1.96 -0.23 0.00 -1.41 0.00 0.00 57.07 57.80 2pkr s TYR 311 Cb -0.11 0.41 0.06 0.00 -1.10 0.00 0.00 41.96 41.22 2pkr s TYR 311 CO 0.30 -0.43 1.20 0.34 -2.51 0.00 0.00 175.55 174.45 2pkr s ASP 312 N 0.88 6.32 0.58 -0.18 -1.08 -1.26 -0.33 116.67 121.61 2pkr s ASP 312 Ca -0.04 -1.12 0.28 0.00 -0.52 0.00 0.00 52.55 51.15 2pkr s ASP 312 Cb -0.05 -2.49 1.58 0.00 -1.46 0.00 0.00 42.92 40.49 2pkr s ASP 312 CO -0.07 -1.51 2.04 -0.55 0.52 0.00 0.00 175.17 175.59 2pkr h ASN 313 N 9.63 0.00 0.00 -0.34 -1.07 -1.91 -1.10 115.58 120.78 2pkr h ASN 313 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.27 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 1.25 0.00 -0.40 -0.33 0.07 0.00 0.00 177.43 178.03 2pkr h GLU 314 N 0.00 0.00 0.04 4.14 5.08 -1.97 -3.37 114.58 118.50 2pkr h GLU 314 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pkr h GLU 314 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2pkr h GLU 314 CO -0.00 0.00 -0.02 2.35 -1.00 0.00 0.00 179.01 180.34 2pkr h TRP 315 N -0.79 -0.05 -0.79 4.33 2.91 -1.93 -1.86 115.95 117.77 2pkr h TRP 315 Ca 0.00 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 2pkr h TRP 315 Cb 0.40 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.00 2pkr h TRP 315 CO -0.17 0.44 0.48 0.78 -1.03 0.00 0.00 178.44 178.93 2pkr h GLY 316 N -0.56 1.18 1.15 2.65 0.00 -1.28 0.14 103.07 106.34 2pkr h GLY 316 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2pkr h GLY 316 CO 0.01 0.24 -0.02 -1.82 0.00 0.00 0.00 176.54 174.94 2pkr h TYR 317 N 0.88 1.10 -0.24 5.60 3.20 -1.59 -2.51 116.97 123.41 2pkr h TYR 317 Ca 0.34 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2pkr h TYR 317 Cb 0.16 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2pkr h TYR 317 CO -0.05 0.99 -0.16 0.77 -1.64 0.00 0.00 178.16 178.07 2pkr h SER 318 N 0.92 0.39 0.25 -2.11 0.02 -0.39 -1.01 113.55 111.63 2pkr h SER 318 Ca 0.16 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2pkr h SER 318 Cb 0.56 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2pkr h SER 318 CO 0.03 0.58 -0.31 1.56 -1.14 0.00 0.00 176.83 177.55 2pkr h GLN 319 N 0.38 0.10 -0.10 3.45 1.08 -0.39 -1.67 115.11 117.95 2pkr h GLN 319 Ca 0.07 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.08 2pkr h GLN 319 Cb 0.50 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2pkr h GLN 319 CO 0.03 0.41 -0.61 0.00 -0.95 0.00 0.00 178.83 177.71 2pkr h ARG 320 N 0.09 0.35 -0.07 1.46 2.47 -0.83 -0.76 114.38 117.09 2pkr h ARG 320 Ca 0.01 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 2pkr h ARG 320 Cb 0.60 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2pkr h ARG 320 CO 0.04 0.85 0.02 0.28 0.56 0.00 0.00 179.97 181.73 2pkr h VAL 321 N 0.26 1.16 -0.53 2.04 2.07 -0.75 0.47 116.25 120.97 2pkr h VAL 321 Ca -0.01 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.10 2pkr h VAL 321 Cb 1.14 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 2pkr h VAL 321 CO 0.10 0.14 0.17 0.58 0.02 0.00 0.00 177.57 178.58 2pkr h VAL 322 N -0.07 0.78 -0.48 2.57 2.07 -1.24 -0.16 116.25 119.71 2pkr h VAL 322 Ca 0.02 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2pkr h VAL 322 Cb 0.20 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2pkr h VAL 322 CO -0.00 0.06 0.24 0.44 0.02 0.00 0.00 177.57 178.33 2pkr h ASP 323 N 0.34 0.35 -0.56 0.57 3.32 -0.58 0.17 116.42 120.02 2pkr h ASP 323 Ca 0.26 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2pkr h ASP 323 Cb 0.32 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2pkr h ASP 323 CO -0.29 0.25 0.06 0.25 -1.72 0.00 0.00 179.24 177.79 2pkr h LEU 324 N 0.48 0.95 -0.63 1.55 5.85 -0.46 -1.99 115.31 121.06 2pkr h LEU 324 Ca 0.21 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2pkr h LEU 324 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2pkr h LEU 324 CO -0.14 0.97 0.42 0.00 -0.34 0.00 0.00 178.44 179.35 2pkr h ALA 325 N 1.13 0.81 -0.53 1.25 0.00 0.03 -1.38 119.26 120.57 2pkr h ALA 325 Ca 0.18 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 325 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2pkr h ALA 325 CO 0.02 0.23 0.35 -0.44 0.00 0.00 0.00 179.25 179.41 2pkr h ASP 326 N 0.86 0.56 -0.30 0.00 5.19 -0.34 -0.98 116.42 121.41 2pkr h ASP 326 Ca 0.23 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.46 2pkr h ASP 326 Cb -0.10 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 2pkr h ASP 326 CO -0.05 0.39 -0.46 0.40 -3.12 0.00 0.00 179.24 176.40 2pkr h ILE 327 N 0.65 1.28 -0.26 0.35 2.04 -0.57 -0.68 117.51 120.32 2pkr h ILE 327 Ca 0.21 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.44 2pkr h ILE 327 Cb 0.02 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2pkr h ILE 327 CO -0.05 0.54 0.14 0.58 0.00 0.00 0.00 178.15 179.36 2pkr h VAL 328 N 0.70 1.02 -0.52 1.67 2.07 -0.25 -1.12 116.25 119.81 2pkr h VAL 328 Ca 0.04 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2pkr h VAL 328 Cb 1.05 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2pkr h VAL 328 CO 0.11 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.81 2pkr h ALA 329 N 1.12 1.12 0.00 1.67 0.00 -1.11 -2.01 119.26 120.05 2pkr h ALA 329 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2pkr h ALA 329 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pkr h ALA 329 CO -0.05 0.57 -0.10 -0.91 0.00 0.00 0.00 179.25 178.76 2pkr h ASN 330 N 0.80 0.00 -0.45 0.00 -0.26 -0.63 -3.04 115.58 112.00 2pkr h ASN 330 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2pkr h ASN 330 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2pkr h ASN 330 CO 0.01 0.10 0.00 0.29 -1.06 0.00 0.00 177.43 176.77 2pkr n LYS 331 N -3.20 3.01 -1.97 0.81 5.02 -0.47 -5.02 118.16 116.35 2pkr n LYS 331 Ca 0.01 -2.42 -0.41 0.00 -2.02 0.00 0.00 58.31 53.47 2pkr n LYS 331 Cb 0.41 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2pkr n LYS 331 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2pkr s TRP 332 N -1.42 2.89 -0.33 2.13 -0.11 -0.79 -4.53 118.94 116.77 2pkr s TRP 332 Ca 0.35 1.17 -0.08 0.00 1.22 0.00 0.00 56.10 58.76 2pkr s TRP 332 Cb 0.21 -3.85 0.02 0.00 -1.50 0.00 0.00 33.47 28.35 2pkr s TRP 332 CO 0.19 -2.58 0.12 -0.65 -4.62 0.00 0.00 176.95 169.41 2pkr s GLN 333 N -1.31 2.87 0.00 5.86 -0.21 -1.26 -5.09 119.66 120.52 2pkr s GLN 333 Ca 0.55 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.91 2pkr s GLN 333 Cb -0.43 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.08 2pkr s GLN 333 CO 0.52 -0.58 0.49 0.41 -2.12 0.00 0.00 175.29 174.00