#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr s LEU 1 N 0.00 4.61 -0.11 -0.35 2.96 0.32 -4.95 118.68 121.16 2pkr s LEU 1 Ca 0.00 -1.08 -0.29 0.00 -0.22 0.00 0.00 54.13 52.54 2pkr s LEU 1 Cb 0.00 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 2pkr s LEU 1 CO 0.00 -0.38 1.91 -0.54 -1.32 0.00 0.00 176.35 176.02 2pkr s LYS 2 N 1.49 3.78 -0.07 1.98 3.01 -1.26 -1.58 119.74 127.09 2pkr s LYS 2 Ca 0.01 2.15 0.03 0.00 -1.01 0.00 0.00 55.97 57.15 2pkr s LYS 2 Cb -0.19 -4.17 -0.02 0.00 -1.01 0.00 0.00 37.83 32.44 2pkr s LYS 2 CO 0.05 -1.35 -0.16 0.08 0.51 0.00 0.00 175.35 174.48 2pkr s VAL 3 N 5.67 2.86 -0.02 3.17 1.01 0.76 -1.18 120.40 132.66 2pkr s VAL 3 Ca 0.86 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2pkr s VAL 3 Cb -0.34 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2pkr s VAL 3 CO 0.35 0.57 -0.26 0.00 0.00 0.00 0.00 175.10 175.77 2pkr s ALA 4 N -0.34 2.18 -0.25 5.51 0.00 -0.27 -1.60 121.76 126.99 2pkr s ALA 4 Ca 0.03 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2pkr s ALA 4 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2pkr s ALA 4 CO 0.02 0.53 0.07 0.42 0.00 0.00 0.00 175.76 176.81 2pkr s ILE 5 N -0.63 4.29 -0.32 0.00 1.01 -0.41 -0.24 121.20 124.91 2pkr s ILE 5 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 2pkr s ILE 5 Cb -0.10 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 2pkr s ILE 5 CO -0.01 0.32 0.15 0.21 0.00 0.00 0.00 174.94 175.61 2pkr s ASN 6 N 1.61 5.54 0.00 3.58 2.47 -0.15 -0.52 114.94 127.46 2pkr s ASN 6 Ca 0.06 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.73 2pkr s ASN 6 Cb -0.15 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 2pkr s ASN 6 CO 0.04 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.80 2pkr n GLY 7 N 4.97 -0.64 2.40 1.21 0.00 -0.94 -0.31 105.19 111.88 2pkr n GLY 7 Ca -0.14 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 0.34 1.44 -0.98 1.61 7.35 -1.25 -4.10 117.46 121.88 2pkr n PHE 8 Ca 0.00 -1.98 0.00 0.00 -0.76 0.00 0.00 57.45 54.71 2pkr n PHE 8 Cb 0.00 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.34 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 1.30 1.40 0.23 7.13 0.00 -1.26 -4.48 105.19 109.50 2pkr n GLY 9 Ca 0.50 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.08 -0.02 1.61 2.47 -1.93 0.78 114.38 117.38 2pkr h ARG 10 Ca 0.00 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.48 2pkr h ARG 10 Cb 0.00 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2pkr h ARG 10 CO 0.00 0.06 -0.90 0.82 0.56 0.00 0.00 179.97 180.51 2pkr h ILE 11 N 0.09 1.32 -0.81 2.04 1.08 -1.91 -1.11 117.51 118.20 2pkr h ILE 11 Ca 0.30 -2.17 0.06 0.00 -0.39 0.00 0.00 64.86 62.66 2pkr h ILE 11 Cb 0.47 2.39 -0.06 0.00 -3.07 0.00 0.00 36.82 36.56 2pkr h ILE 11 CO -0.52 0.66 0.50 1.23 -0.69 0.00 0.00 178.15 179.33 2pkr h GLY 12 N 0.28 1.21 1.67 5.37 0.00 -1.47 0.21 103.07 110.34 2pkr h GLY 12 Ca -0.11 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.61 2pkr h GLY 12 CO 0.18 0.25 -1.13 3.21 0.00 0.00 0.00 176.54 179.05 2pkr h ARG 13 N 0.92 0.26 -0.41 4.80 3.08 0.55 -2.72 114.38 120.86 2pkr h ARG 13 Ca 0.35 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2pkr h ARG 13 Cb 0.15 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2pkr h ARG 13 CO -0.16 1.15 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.87 2pkr h ASN 14 N 0.10 0.72 -0.20 7.04 2.35 -0.85 -1.17 115.58 123.57 2pkr h ASN 14 Ca -0.10 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2pkr h ASN 14 Cb 1.84 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.00 2pkr h ASN 14 CO 0.18 0.85 0.12 0.15 -1.65 0.00 0.00 177.43 177.08 2pkr h PHE 15 N 0.66 0.26 -0.69 1.19 3.57 -0.56 0.18 116.94 121.55 2pkr h PHE 15 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2pkr h PHE 15 Cb 0.57 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2pkr h PHE 15 CO 0.03 0.21 0.32 1.25 -2.23 0.00 0.00 178.31 177.89 2pkr h LEU 16 N 0.23 0.92 -0.62 0.59 6.46 -1.22 0.42 115.31 122.09 2pkr h LEU 16 Ca 0.07 -0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.54 2pkr h LEU 16 Cb 0.02 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2pkr h LEU 16 CO -0.01 0.80 -0.54 0.03 -0.62 0.00 0.00 178.44 178.10 2pkr h ARG 17 N 0.97 0.42 -0.30 1.25 3.08 -1.00 0.37 114.38 119.18 2pkr h ARG 17 Ca 0.24 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2pkr h ARG 17 Cb 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2pkr h ARG 17 CO -0.03 0.85 0.05 0.00 -1.07 0.00 0.00 179.97 179.77 2pkr h TRP 18 N 0.31 1.01 -0.04 0.00 7.01 -0.77 -2.27 115.95 121.20 2pkr h TRP 18 Ca 0.09 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2pkr h TRP 18 Cb 0.34 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2pkr h TRP 18 CO 0.02 0.69 0.04 1.25 -2.79 0.00 0.00 178.44 177.65 2pkr h HIS 18 N 1.03 0.00 0.00 2.65 2.76 -0.72 -2.06 115.15 118.81 2pkr h HIS 18 Ca 0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2pkr h HIS 18 Cb -0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2pkr h HIS 18 CO -0.01 0.00 -0.29 0.41 -1.30 0.00 0.00 177.93 176.75 2pkr n GLY 19 N -1.47 -1.47 3.80 5.26 0.00 -0.86 -4.90 105.19 105.55 2pkr n GLY 19 Ca -0.02 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.07 4.06 -0.07 1.61 1.81 -0.78 -5.06 118.95 117.46 2pkr s ARG 20 Ca 0.10 1.28 -0.04 0.00 -1.72 0.00 0.00 55.73 55.35 2pkr s ARG 20 Cb 0.16 -2.22 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 2pkr s ARG 20 CO 0.64 -0.20 0.14 0.15 -0.68 0.00 0.00 175.30 175.35 2pkr s LYS 21 N -3.06 3.37 -1.12 3.54 -0.14 -1.26 -4.56 119.74 116.50 2pkr s LYS 21 Ca 0.63 -0.25 -0.24 0.00 -1.36 0.00 0.00 55.97 54.75 2pkr s LYS 21 Cb -0.14 -3.09 0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2pkr s LYS 21 CO 0.18 0.72 0.72 -0.25 -0.76 0.00 0.00 175.35 175.97 2pkr n ASP 22 N 1.55 -4.87 -4.77 2.83 8.00 -1.26 -4.92 116.55 113.12 2pkr n ASP 22 Ca -0.16 -1.10 -0.39 0.00 0.71 0.00 0.00 54.79 53.84 2pkr n ASP 22 Cb 0.54 -2.52 -0.06 0.00 -0.02 0.00 0.00 41.12 39.06 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 -3.42 7.49 0.00 -2.24 0.15 -1.26 -4.92 113.70 109.50 2pkr s SER 23 Ca 0.42 1.79 0.19 0.00 0.70 0.00 0.00 55.95 59.04 2pkr s SER 23 Cb -0.19 -2.55 0.76 0.00 -1.71 0.00 0.00 66.02 62.33 2pkr s SER 23 CO 0.91 0.16 1.54 -0.81 1.20 0.00 0.00 173.24 176.24 2pkr n PRO 24 N 1.44 1.54 -4.28 5.44 -0.04 -1.26 -4.82 135.00 133.02 2pkr n PRO 24 Ca -0.03 -0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 62.27 2pkr n PRO 24 Cb 0.48 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.50 3.63 -0.28 1.53 1.43 -1.26 -0.52 118.68 121.72 2pkr s LEU 25 Ca 0.29 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2pkr s LEU 25 Cb 0.15 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.49 2pkr s LEU 25 CO 0.23 0.33 0.06 -0.62 0.23 0.00 0.00 176.35 176.58 2pkr s ASP 26 N -1.26 3.82 -0.57 2.29 2.15 -0.61 -4.81 116.67 117.68 2pkr s ASP 26 Ca 0.17 -1.43 -0.26 0.00 0.43 0.00 0.00 52.55 51.46 2pkr s ASP 26 Cb -0.12 -0.90 0.03 0.00 -0.30 0.00 0.00 42.92 41.64 2pkr s ASP 26 CO 0.07 -0.36 1.08 -0.69 -0.17 0.00 0.00 175.17 175.09 2pkr s VAL 27 N 1.59 4.19 -0.37 1.11 1.01 -1.26 -0.17 120.40 126.50 2pkr s VAL 27 Ca 0.05 0.62 0.19 0.00 0.00 0.00 0.00 61.98 62.84 2pkr s VAL 27 Cb -0.18 -4.64 -0.26 0.00 0.00 0.00 0.00 36.38 31.30 2pkr s VAL 27 CO -0.18 -1.23 0.57 1.33 0.00 0.00 0.00 175.10 175.59 2pkr n VAL 28 N 6.45 0.00 -3.64 2.92 0.24 -0.63 -4.80 118.33 118.88 2pkr n VAL 28 Ca 0.05 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.91 2pkr n VAL 28 Cb 0.48 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 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 -3.12 0.03 -0.07 3.34 0.11 -1.22 -1.76 120.40 117.71 2pkr s VAL 29 Ca -0.01 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2pkr s VAL 29 Cb 0.13 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2pkr s VAL 29 CO 0.79 -0.12 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.71 2pkr s ILE 30 N -1.15 1.01 -0.57 7.04 1.01 0.11 -1.29 121.20 127.36 2pkr s ILE 30 Ca -0.11 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 2pkr s ILE 30 Cb -0.03 -0.95 0.11 0.00 0.01 0.00 0.00 42.46 41.61 2pkr s ILE 30 CO 0.07 0.33 0.62 0.21 0.00 0.00 0.00 174.94 176.17 2pkr s ASN 31 N 0.84 6.19 -0.30 3.58 2.47 0.32 -0.69 114.94 127.34 2pkr s ASN 31 Ca -0.12 -1.56 0.02 0.00 0.42 0.00 0.00 52.86 51.63 2pkr s ASN 31 Cb -0.15 -2.27 0.08 0.00 -1.45 0.00 0.00 41.25 37.46 2pkr s ASN 31 CO 0.02 -1.01 -0.02 -0.62 -3.72 0.00 0.00 177.10 171.74 2pkr s ASP 32 N 3.59 4.66 0.30 -4.21 -1.08 -0.25 -2.21 116.67 117.47 2pkr s ASP 32 Ca 0.08 -1.69 0.22 0.00 -0.52 0.00 0.00 52.55 50.65 2pkr s ASP 32 Cb -0.26 -1.61 1.11 0.00 -1.46 0.00 0.00 42.92 40.70 2pkr s ASP 32 CO 0.05 -0.28 1.67 0.35 0.52 0.00 0.00 175.17 177.48 2pkr n THR 33 N 4.40 0.99 0.37 1.71 -2.24 -1.26 -1.90 114.28 116.35 2pkr n THR 33 Ca -0.07 0.59 0.12 0.00 -2.27 0.00 0.00 64.05 62.43 2pkr n THR 33 Cb 0.42 -1.58 0.25 0.00 -2.10 0.00 0.00 70.33 67.32 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 0.63 0.00 0.00 3.38 0.00 -1.93 -3.49 103.07 101.66 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 1.18 1.76 0.05 4.60 0.00 -0.80 -4.51 105.19 107.47 2pkr n GLY 36 Ca 0.04 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 1.21 -0.43 1.61 2.07 -1.87 -2.06 116.25 116.77 2pkr h VAL 37 Ca 0.00 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2pkr h VAL 37 Cb 0.00 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2pkr h VAL 37 CO 0.00 0.16 0.19 0.11 0.02 0.00 0.00 177.57 178.05 2pkr h LYS 38 N -0.25 0.37 -0.66 1.57 1.79 -1.94 -0.92 116.57 116.53 2pkr h LYS 38 Ca 0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2pkr h LYS 38 Cb 0.26 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 2pkr h LYS 38 CO 0.00 0.24 0.41 0.37 -1.08 0.00 0.00 179.45 179.39 2pkr h GLN 39 N 0.38 0.90 -0.39 3.15 4.15 -1.79 -0.80 115.11 120.71 2pkr h GLN 39 Ca 0.19 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2pkr h GLN 39 Cb 0.14 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2pkr h GLN 39 CO -0.17 0.63 0.15 0.00 -1.93 0.00 0.00 178.83 177.51 2pkr h ALA 40 N 1.21 0.50 -0.04 3.38 0.00 -0.72 -1.07 119.26 122.52 2pkr h ALA 40 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pkr h ALA 40 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pkr h ALA 40 CO -0.05 0.11 0.02 1.03 0.00 0.00 0.00 179.25 180.36 2pkr h SER 41 N 0.48 0.05 -0.21 0.00 0.87 -0.95 -2.25 113.55 111.53 2pkr h SER 41 Ca 0.13 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2pkr h SER 41 Cb 0.20 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2pkr h SER 41 CO -0.01 0.14 0.13 -0.74 -0.53 0.00 0.00 176.83 175.82 2pkr h HIS 42 N -0.03 0.28 0.00 2.24 6.17 -0.97 -1.43 115.15 121.41 2pkr h HIS 42 Ca 0.01 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2pkr h HIS 42 Cb 0.09 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2pkr h HIS 42 CO -0.04 0.22 0.00 -0.07 0.71 0.00 0.00 177.93 178.75 2pkr h LEU 43 N 0.26 0.00 0.09 0.26 3.38 -1.23 -0.21 115.31 117.86 2pkr h LEU 43 Ca 0.08 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 2pkr h LEU 43 Cb 0.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.79 2pkr h LEU 43 CO -0.01 0.00 -1.08 0.25 0.09 0.00 0.00 178.44 177.68 2pkr h LEU 44 N 0.00 0.80 -0.04 1.67 5.85 -0.92 -3.34 115.31 119.33 2pkr h LEU 44 Ca 0.00 -0.82 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 2pkr h LEU 44 Cb 0.70 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2pkr h LEU 44 CO 0.00 1.53 -0.03 0.50 -0.34 0.00 0.00 178.44 180.09 2pkr h LYS 45 N 0.17 0.09 -4.95 1.25 1.63 -1.09 -3.41 116.57 110.26 2pkr h LYS 45 Ca -0.16 -0.04 -0.66 0.00 -0.85 0.00 0.00 60.65 58.94 2pkr h LYS 45 Cb 1.77 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 33.15 2pkr h LYS 45 CO 0.21 0.54 -0.66 0.71 -3.45 0.00 0.00 179.45 176.80 2pkr s TYR 46 N -4.30 3.05 -0.17 1.91 2.02 -0.11 -0.58 117.35 119.18 2pkr s TYR 46 Ca -0.15 -0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 2pkr s TYR 46 Cb 0.03 -2.19 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2pkr s TYR 46 CO 0.69 -0.45 -0.00 0.34 -1.57 0.00 0.00 175.55 174.56 2pkr s ASP 47 N 1.55 2.69 0.64 2.29 -1.08 -1.19 -4.53 116.67 117.04 2pkr s ASP 47 Ca 0.06 -0.66 0.26 0.00 -0.52 0.00 0.00 52.55 51.69 2pkr s ASP 47 Cb -0.15 -0.69 1.35 0.00 -1.46 0.00 0.00 42.92 41.97 2pkr s ASP 47 CO 0.01 -0.25 1.77 0.28 0.52 0.00 0.00 175.17 177.50 2pkr h SER 48 N 8.21 0.00 0.00 -0.34 0.02 -1.94 0.43 113.55 119.92 2pkr h SER 48 Ca -0.19 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.48 2pkr h SER 48 Cb 1.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2pkr h SER 48 CO 0.34 0.00 -2.03 -0.38 -1.14 0.00 0.00 176.83 173.62 2pkr n ILE 49 N -3.12 1.03 0.46 3.27 5.41 -1.26 -4.65 119.36 120.49 2pkr n ILE 49 Ca 0.03 -0.36 0.12 0.00 1.00 0.00 0.00 62.75 63.54 2pkr n ILE 49 Cb 0.61 -1.29 0.12 0.00 -0.71 0.00 0.00 39.64 38.37 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 -1.95 -3.50 115.31 114.46 2pkr h LEU 50 Ca -0.42 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2pkr h LEU 50 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2pkr h LEU 50 CO -0.12 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2pkr n GLY 51 N 1.30 -0.50 3.70 0.83 0.00 0.15 -4.86 105.19 105.80 2pkr n GLY 51 Ca 0.02 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2pkr n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pkr s THR 52 N -1.00 3.80 0.02 2.61 2.01 -1.26 -3.14 115.64 118.68 2pkr s THR 52 Ca 0.00 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 2pkr s THR 52 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2pkr s THR 52 CO 0.00 0.05 1.99 0.33 -0.69 0.00 0.00 174.62 176.30 2pkr n PHE 53 N 4.57 2.49 -1.69 4.92 7.35 0.25 -4.89 117.46 130.46 2pkr n PHE 53 Ca 0.11 -0.37 -0.42 0.00 -0.76 0.00 0.00 57.45 56.01 2pkr n PHE 53 Cb 0.45 -2.80 -0.02 0.00 0.35 0.00 0.00 39.48 37.45 2pkr n PHE 53 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2pkr n ASP 54 N 7.73 3.58 -3.48 -2.13 2.03 -1.26 -4.80 116.55 118.22 2pkr n ASP 54 Ca 0.21 -2.80 -0.11 0.00 0.52 0.00 0.00 54.79 52.61 2pkr n ASP 54 Cb 0.41 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 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 4.23 -1.74 -0.44 -1.67 0.00 -1.26 -5.11 121.76 115.77 2pkr s ALA 55 Ca 0.52 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 2pkr s ALA 55 Cb 0.12 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.75 2pkr s ALA 55 CO -0.00 -0.67 1.15 -0.51 0.00 0.00 0.00 175.76 175.73 2pkr s ASP 56 N -2.38 6.67 -0.14 0.00 1.01 -1.26 -4.89 116.67 115.68 2pkr s ASP 56 Ca 0.02 0.62 0.01 0.00 0.71 0.00 0.00 52.55 53.91 2pkr s ASP 56 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2pkr s ASP 56 CO -0.08 -1.19 -0.18 -0.69 0.21 0.00 0.00 175.17 173.23 2pkr s VAL 57 N 4.38 2.46 0.17 -1.27 1.01 -1.26 0.23 120.40 126.11 2pkr s VAL 57 Ca 0.49 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2pkr s VAL 57 Cb -0.09 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2pkr s VAL 57 CO 0.29 0.53 0.47 -1.59 0.00 0.00 0.00 175.10 174.80 2pkr s LYS 58 N 0.75 1.28 0.46 2.72 -2.85 -0.94 -5.01 119.74 116.15 2pkr s LYS 58 Ca -0.07 -0.84 -0.20 0.00 -1.00 0.00 0.00 55.97 53.86 2pkr s LYS 58 Cb -0.16 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.01 2pkr s LYS 58 CO 0.01 -0.53 0.97 0.95 0.10 0.00 0.00 175.35 176.84 2pkr s THR 59 N -3.86 4.38 -0.41 3.79 -4.23 -1.26 -1.08 115.64 112.97 2pkr s THR 59 Ca 0.08 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 62.00 2pkr s THR 59 Cb 0.00 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.35 2pkr s THR 59 CO -0.05 -0.41 0.19 0.00 -0.54 0.00 0.00 174.62 173.81 2pkr s ALA 60 N -2.28 2.18 0.00 3.99 0.00 0.11 -4.75 121.76 121.01 2pkr s ALA 60 Ca 0.62 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2pkr s ALA 60 Cb -0.10 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2pkr s ALA 60 CO 0.18 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.42 2pkr n GLY 60 N 3.87 -0.74 0.20 0.00 0.00 -1.26 -3.06 105.19 104.20 2pkr n GLY 60 Ca 0.05 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 45.03 2pkr n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 61 N 0.30 1.14 -1.99 1.61 8.00 -1.26 -4.55 116.55 119.80 2pkr n ASP 61 Ca 0.00 -0.91 -0.00 0.00 0.71 0.00 0.00 54.79 54.59 2pkr n ASP 61 Cb 0.00 0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pkr n SER 62 N -0.87 0.41 -3.73 -2.24 3.41 -1.26 -4.81 113.62 104.53 2pkr n SER 62 Ca 0.08 -2.04 -0.06 0.00 -0.26 0.00 0.00 58.87 56.60 2pkr n SER 62 Cb 0.37 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.11 -1.55 0.15 7.33 0.00 -1.17 -1.08 121.76 124.33 2pkr s ALA 63 Ca 0.22 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2pkr s ALA 63 Cb 0.31 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 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 -3.48 0.92 -0.01 0.00 -4.36 -0.48 0.08 121.20 113.87 2pkr s ILE 64 Ca 0.10 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 2pkr s ILE 64 Cb -0.03 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 2pkr s ILE 64 CO 0.01 -0.68 -0.12 -0.94 0.24 0.00 0.00 174.94 173.45 2pkr s SER 65 N -3.15 1.46 -0.29 4.36 1.04 -0.24 -0.67 113.70 116.21 2pkr s SER 65 Ca 0.18 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.42 2pkr s SER 65 Cb 0.04 -0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.05 2pkr s SER 65 CO 0.01 0.15 -0.04 -0.69 0.98 0.00 0.00 173.24 173.64 2pkr s VAL 66 N -0.24 2.26 -1.46 5.02 1.01 -0.41 -2.20 120.40 124.38 2pkr s VAL 66 Ca 0.04 -1.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 2pkr s VAL 66 Cb -0.05 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.92 2pkr s VAL 66 CO -0.00 -0.25 1.04 0.47 0.00 0.00 0.00 175.10 176.36 2pkr n ASP 67 N 4.38 -5.53 0.00 3.32 8.00 0.13 -1.88 116.55 124.97 2pkr n ASP 67 Ca -0.07 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.78 2pkr n ASP 67 Cb 0.42 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 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 -1.81 3.10 3.69 0.44 0.00 -1.26 -5.01 105.19 104.34 2pkr n GLY 68 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2pkr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pkr s LYS 69 N -0.35 4.36 -0.11 1.61 2.20 -0.79 -4.98 119.74 121.69 2pkr s LYS 69 Ca 0.00 1.62 -0.12 0.00 -0.36 0.00 0.00 55.97 57.11 2pkr s LYS 69 Cb 0.00 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2pkr s LYS 69 CO 0.00 -0.43 0.28 0.08 -0.36 0.00 0.00 175.35 174.92 2pkr s VAL 70 N 2.21 5.29 -0.20 4.02 1.01 -1.26 -1.29 120.40 130.18 2pkr s VAL 70 Ca 0.54 0.52 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2pkr s VAL 70 Cb -0.23 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2pkr s VAL 70 CO 0.21 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 175.01 2pkr s ILE 71 N -0.33 2.03 0.03 2.22 1.01 0.16 -4.90 121.20 121.41 2pkr s ILE 71 Ca 0.18 -1.12 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 2pkr s ILE 71 Cb -0.14 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 2pkr s ILE 71 CO 0.06 0.36 1.81 -0.75 0.00 0.00 0.00 174.94 176.42 2pkr s LYS 72 N 1.26 4.16 -0.25 2.79 2.47 -0.72 -1.39 119.74 128.06 2pkr s LYS 72 Ca 0.01 2.45 -0.08 0.00 -1.56 0.00 0.00 55.97 56.79 2pkr s LYS 72 Cb -0.15 -3.94 -0.03 0.00 -1.46 0.00 0.00 37.83 32.24 2pkr s LYS 72 CO -0.10 -0.87 0.09 0.08 0.16 0.00 0.00 175.35 174.70 2pkr s VAL 73 N 3.80 4.53 0.49 4.02 1.01 -0.24 0.07 120.40 134.08 2pkr s VAL 73 Ca 0.81 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.72 2pkr s VAL 73 Cb -0.40 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2pkr s VAL 73 CO 0.36 0.33 0.02 0.68 0.00 0.00 0.00 175.10 176.50 2pkr s VAL 74 N 1.53 1.37 -0.28 2.92 -7.23 0.14 -4.62 120.40 114.24 2pkr s VAL 74 Ca 0.06 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 2pkr s VAL 74 Cb -0.15 -2.35 0.15 0.00 0.56 0.00 0.00 36.38 34.59 2pkr s VAL 74 CO 0.05 0.00 0.37 -0.55 -0.31 0.00 0.00 175.10 174.66 2pkr s SER 75 N -3.86 0.68 -0.21 4.85 0.15 -1.26 -1.09 113.70 112.96 2pkr s SER 75 Ca 0.13 -0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 2pkr s SER 75 Cb 0.03 0.95 0.08 0.00 -1.71 0.00 0.00 66.02 65.38 2pkr s SER 75 CO 0.07 -0.35 0.49 -0.62 1.20 0.00 0.00 173.24 174.03 2pkr s ASP 76 N 2.50 -0.58 0.27 5.45 -1.08 -1.26 -4.95 116.67 117.02 2pkr s ASP 76 Ca 0.10 1.12 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 2pkr s ASP 76 Cb -0.13 1.26 0.90 0.00 -1.46 0.00 0.00 42.92 43.48 2pkr s ASP 76 CO -0.28 -0.22 1.75 0.03 0.52 0.00 0.00 175.17 176.98 2pkr h ARG 77 N 7.55 0.00 -4.39 4.34 3.08 -1.99 -3.41 114.38 119.56 2pkr h ARG 77 Ca -0.26 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.06 2pkr h ARG 77 Cb 1.16 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.95 2pkr h ARG 77 CO 0.19 0.00 -0.41 1.21 -1.07 0.00 0.00 179.97 179.89 2pkr s ASN 78 N -4.60 5.86 0.56 7.04 3.84 -1.26 -4.97 114.94 121.40 2pkr s ASN 78 Ca 0.07 -1.41 0.26 0.00 0.21 0.00 0.00 52.86 51.98 2pkr s ASN 78 Cb 0.10 -2.07 1.49 0.00 -0.55 0.00 0.00 41.25 40.22 2pkr s ASN 78 CO 0.51 -0.58 2.05 -0.65 -2.79 0.00 0.00 177.10 175.63 2pkr h PRO 79 N 8.56 0.00 0.00 0.43 0.11 -1.90 -1.50 132.00 137.70 2pkr h PRO 79 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2pkr h PRO 79 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pkr h PRO 79 CO 0.81 0.00 -0.11 -0.39 -0.21 0.00 0.00 178.00 178.10 2pkr h VAL 80 N 0.00 0.80 -0.01 3.15 -1.51 -1.94 -2.27 116.25 114.48 2pkr h VAL 80 Ca 0.15 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2pkr h VAL 80 Cb 0.70 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2pkr h VAL 80 CO -0.00 0.11 -0.07 0.59 -1.23 0.00 0.00 177.57 176.97 2pkr n ASN 81 N -4.01 0.88 -4.77 4.19 5.03 -0.57 -4.29 115.26 111.73 2pkr n ASN 81 Ca -0.02 -1.07 -0.38 0.00 0.87 0.00 0.00 54.58 53.98 2pkr n ASN 81 Cb 0.20 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.94 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 4.12 -0.06 3.41 1.43 -0.85 -4.94 118.68 119.59 2pkr s LEU 82 Ca 0.35 2.33 -0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2pkr s LEU 82 Cb 0.21 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.37 2pkr s LEU 82 CO 0.41 -0.77 1.82 -0.81 0.23 0.00 0.00 176.35 177.23 2pkr n PRO 83 N -0.14 1.16 0.02 1.29 -0.04 -1.26 -4.55 135.00 131.48 2pkr n PRO 83 Ca 0.05 -0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2pkr n PRO 83 Cb 0.47 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.89 0.01 -0.35 0.54 -0.00 -1.91 0.14 115.95 115.28 2pkr h TRP 84 Ca 0.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 2pkr h TRP 84 Cb 1.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.16 2pkr h TRP 84 CO 0.31 0.18 0.20 0.78 -0.00 0.00 0.00 178.44 179.91 2pkr h GLY 85 N -0.16 0.52 1.09 1.49 0.00 -1.09 0.54 103.07 105.46 2pkr h GLY 85 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2pkr h GLY 85 CO -0.00 0.22 0.58 -0.55 0.00 0.00 0.00 176.54 176.79 2pkr h ASP 86 N 0.45 0.97 0.76 0.19 3.32 -1.78 -1.67 116.42 118.66 2pkr h ASP 86 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2pkr h ASP 86 Cb 0.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2pkr h ASP 86 CO -0.02 0.69 -0.34 0.23 -1.72 0.00 0.00 179.24 178.07 2pkr n MET 87 N -4.42 0.06 -2.17 3.56 2.81 0.49 -4.94 117.12 112.51 2pkr n MET 87 Ca 0.11 0.03 -0.06 0.00 -1.81 0.00 0.00 57.70 55.96 2pkr n MET 87 Cb 0.06 -1.55 -0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 1.46 0.17 3.67 3.03 0.00 0.17 -4.96 105.19 108.74 2pkr n GLY 88 Ca 0.06 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.36 3.17 -0.09 -0.61 -1.09 -0.34 -4.82 121.20 115.07 2pkr s ILE 89 Ca 0.01 0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 58.61 2pkr s ILE 89 Cb -0.01 -3.23 -0.28 0.00 -1.58 0.00 0.00 42.46 37.36 2pkr s ILE 89 CO 0.02 -0.02 0.67 0.44 -1.23 0.00 0.00 174.94 174.82 2pkr h ASP 90 N 9.55 0.39 -3.47 3.58 3.32 -1.50 -2.71 116.42 125.59 2pkr h ASP 90 Ca -0.44 -0.88 -0.39 0.00 0.02 0.00 0.00 57.03 55.34 2pkr h ASP 90 Cb 1.21 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 2pkr h ASP 90 CO 0.94 1.52 -0.76 -0.22 -1.72 0.00 0.00 179.24 179.00 2pkr s LEU 91 N -7.70 1.25 -0.24 1.55 2.96 -0.70 -1.22 118.68 114.58 2pkr s LEU 91 Ca -0.18 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2pkr s LEU 91 Cb 0.03 -0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 2pkr s LEU 91 CO 0.78 -0.08 0.09 -0.69 -1.32 0.00 0.00 176.35 175.14 2pkr s VAL 92 N 0.99 4.68 -0.58 1.68 1.01 0.29 -1.11 120.40 127.36 2pkr s VAL 92 Ca -0.10 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 2pkr s VAL 92 Cb -0.14 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.11 2pkr s VAL 92 CO -0.01 0.36 0.93 -0.63 0.00 0.00 0.00 175.10 175.75 2pkr s ILE 93 N 1.26 4.39 -0.72 2.22 -1.09 0.67 -0.94 121.20 127.00 2pkr s ILE 93 Ca 0.05 0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 2pkr s ILE 93 Cb -0.14 -4.57 0.05 0.00 -1.58 0.00 0.00 42.46 36.21 2pkr s ILE 93 CO 0.04 -1.20 1.17 -0.70 -1.23 0.00 0.00 174.94 173.03 2pkr s GLU 94 N 3.92 3.17 -0.18 2.79 -6.30 -0.17 -0.98 118.70 120.95 2pkr s GLU 94 Ca 0.27 -0.48 0.13 0.00 -2.50 0.00 0.00 54.97 52.39 2pkr s GLU 94 Cb -0.14 -4.22 0.39 0.00 0.00 0.00 0.00 34.13 30.16 2pkr s GLU 94 CO 0.16 -2.03 1.20 0.41 0.02 0.00 0.00 175.26 175.03 2pkr n GLY 95 N 5.39 4.85 0.13 -1.50 0.00 0.57 -1.33 105.19 113.30 2pkr n GLY 95 Ca 0.01 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 1.20 0.35 0.00 2.61 1.35 -1.81 -3.44 112.91 113.18 2pkr h THR 96 Ca -0.01 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2pkr h THR 96 Cb 1.05 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2pkr h THR 96 CO 0.01 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2pkr n GLY 97 N 1.24 0.75 0.00 5.82 0.00 -1.26 -4.84 105.19 106.90 2pkr n GLY 97 Ca -0.02 0.00 0.03 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 -2.31 0.00 -3.17 1.61 0.24 -1.26 -4.74 118.33 108.71 2pkr n VAL 98 Ca 0.00 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.34 61.72 2pkr n VAL 98 Cb 0.02 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.28 3.80 0.85 6.34 3.72 -1.26 -4.86 117.46 124.77 2pkr n PHE 99 Ca 0.01 -4.01 0.11 0.00 -0.05 0.00 0.00 57.45 53.51 2pkr n PHE 99 Cb 0.13 -0.56 0.11 0.00 -0.94 0.00 0.00 39.48 38.22 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 0.32 0.07 -3.78 -4.37 0.24 -1.26 -3.52 118.33 106.02 2pkr n VAL 100 Ca 0.31 -0.53 -0.25 0.00 -2.04 0.00 0.00 64.34 61.82 2pkr n VAL 100 Cb 0.40 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 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 -1.81 4.68 0.14 -1.34 -4.77 -1.26 -0.16 116.67 112.16 2pkr s ASP 101 Ca 0.27 -1.20 -0.14 0.00 -3.30 0.00 0.00 52.55 48.18 2pkr s ASP 101 Cb 0.19 0.42 0.01 0.00 -1.09 0.00 0.00 42.92 42.45 2pkr s ASP 101 CO 0.28 -1.14 1.63 0.03 0.70 0.00 0.00 175.17 176.67 2pkr h ARG 102 N 0.67 0.74 -0.55 2.11 3.08 -1.94 -1.31 114.38 117.18 2pkr h ARG 102 Ca -0.36 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.43 2pkr h ARG 102 Cb 1.30 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2pkr h ARG 102 CO 0.55 0.75 0.04 -0.44 -1.07 0.00 0.00 179.97 179.80 2pkr h ASP 103 N 0.61 0.87 0.08 7.04 3.32 -1.96 0.30 116.42 126.69 2pkr h ASP 103 Ca 0.14 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2pkr h ASP 103 Cb 0.35 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2pkr h ASP 103 CO 0.01 0.91 -0.04 1.23 -1.72 0.00 0.00 179.24 179.63 2pkr h GLY 104 N 1.00 -0.11 1.78 2.75 0.00 -1.87 -3.19 103.07 103.42 2pkr h GLY 104 Ca 0.17 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2pkr h GLY 104 CO 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 176.54 176.26 2pkr h ALA 105 N -0.04 1.30 0.00 3.60 0.00 -1.28 -2.33 119.26 120.51 2pkr h ALA 105 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pkr h ALA 105 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pkr h ALA 105 CO 0.02 0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.52 2pkr h GLY 106 N 0.98 0.00 1.95 0.00 0.00 -0.44 -1.32 103.07 104.24 2pkr h GLY 106 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2pkr h GLY 106 CO 0.04 0.00 0.02 0.50 0.00 0.00 0.00 176.54 177.10 2pkr h LYS 107 N 0.00 0.00 0.00 4.80 1.57 -1.40 0.25 116.57 121.79 2pkr h LYS 107 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2pkr h LYS 107 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2pkr h LYS 107 CO 0.00 0.00 -0.53 0.45 -0.57 0.00 0.00 179.45 178.80 2pkr h HIS 108 N 0.00 0.00 0.04 -1.35 3.86 -1.43 -1.45 115.15 114.82 2pkr h HIS 108 Ca 0.01 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.95 2pkr h HIS 108 Cb 0.05 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.54 2pkr h HIS 108 CO 0.00 0.53 -1.09 -0.07 0.86 0.00 0.00 177.93 178.16 2pkr h LEU 109 N 0.00 0.82 -1.38 2.43 3.38 -0.69 -0.18 115.31 119.70 2pkr h LEU 109 Ca -0.01 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.29 2pkr h LEU 109 Cb 1.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2pkr h LEU 109 CO 0.07 1.50 0.43 1.56 0.09 0.00 0.00 178.44 182.08 2pkr h GLN 110 N 0.32 0.82 0.00 1.13 4.20 -0.99 -0.86 115.11 119.73 2pkr h GLN 110 Ca -0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2pkr h GLN 110 Cb 1.75 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.34 2pkr h GLN 110 CO 0.21 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 2pkr n ALA 111 N -2.44 2.30 0.00 3.87 0.00 -0.57 -4.89 120.51 118.78 2pkr n ALA 111 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2pkr n ALA 111 Cb 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.23 1.19 3.77 0.00 0.00 -0.33 -0.84 105.19 110.21 2pkr n GLY 112 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 3.19 0.04 4.61 0.00 -0.10 -3.81 121.76 123.68 2pkr s ALA 113 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 51.96 53.02 2pkr s ALA 113 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 2pkr s ALA 113 CO 0.00 -0.49 1.28 0.87 0.00 0.00 0.00 175.76 177.42 2pkr h LYS 114 N 2.76 0.00 -2.62 0.00 1.57 -1.48 -3.38 116.57 113.42 2pkr h LYS 114 Ca -0.49 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2pkr h LYS 114 Cb 1.23 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.36 2pkr h LYS 114 CO 0.63 0.84 -0.03 0.21 -0.57 0.00 0.00 179.45 180.53 2pkr s LYS 115 N -2.77 0.91 -0.05 3.15 2.20 -0.36 -4.88 119.74 117.95 2pkr s LYS 115 Ca 0.01 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 2pkr s LYS 115 Cb 0.09 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 2pkr s LYS 115 CO 0.80 -0.29 -0.14 0.08 -0.36 0.00 0.00 175.35 175.44 2pkr s VAL 116 N -1.66 1.24 -0.33 4.02 1.01 0.25 -0.55 120.40 124.38 2pkr s VAL 116 Ca -0.10 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2pkr s VAL 116 Cb -0.02 -1.08 0.09 0.00 0.00 0.00 0.00 36.38 35.37 2pkr s VAL 116 CO 0.04 0.37 0.03 -0.22 0.00 0.00 0.00 175.10 175.32 2pkr s LEU 117 N 0.22 4.50 -0.10 3.92 0.20 -0.11 -0.86 118.68 126.45 2pkr s LEU 117 Ca -0.06 -1.95 -0.30 0.00 0.69 0.00 0.00 54.13 52.51 2pkr s LEU 117 Cb -0.12 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2pkr s LEU 117 CO 0.02 -0.35 1.07 -0.63 -0.29 0.00 0.00 176.35 176.17 2pkr s ILE 118 N 0.98 4.62 -0.09 6.68 1.01 0.31 -1.00 121.20 133.71 2pkr s ILE 118 Ca 0.06 1.91 -0.03 0.00 0.00 0.00 0.00 60.65 62.58 2pkr s ILE 118 Cb -0.20 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 2pkr s ILE 118 CO -0.07 -0.01 2.89 0.35 0.00 0.00 0.00 174.94 178.10 2pkr n THR 119 N 4.64 2.72 -3.71 2.92 -2.24 -0.44 -1.89 114.28 116.28 2pkr n THR 119 Ca 0.10 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2pkr n THR 119 Cb 0.48 -1.74 -0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 0.10 -2.06 0.46 6.98 0.00 -1.23 -4.93 121.76 121.07 2pkr s ALA 120 Ca 0.43 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 2pkr s ALA 120 Cb 0.23 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.78 2pkr s ALA 120 CO -0.03 -1.06 1.42 -2.14 0.00 0.00 0.00 175.76 173.94 2pkr s PRO 121 N -2.58 3.61 0.16 0.00 0.02 -1.24 -3.88 135.00 131.10 2pkr s PRO 121 Ca 0.16 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 2pkr s PRO 121 Cb 0.02 -2.60 -0.07 0.00 0.02 0.00 0.00 34.50 31.87 2pkr s PRO 121 CO -0.01 -0.86 0.50 0.20 -0.33 0.00 0.00 177.00 176.49 2pkr s GLY 122 N -0.57 2.35 -0.04 0.52 0.00 -1.26 -4.92 107.32 103.39 2pkr s GLY 122 Ca 0.62 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 2pkr s GLY 122 CO 0.55 -0.07 0.38 0.54 0.00 0.00 0.00 173.10 174.49 2pkr s LYS 122 N -2.32 3.95 2.31 2.90 -0.14 0.78 -4.84 119.74 122.38 2pkr s LYS 122 Ca 0.41 0.33 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 2pkr s LYS 122 Cb -0.13 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 2pkr s LYS 122 CO 0.20 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 175.79 2pkr n GLY 123 N 2.16 -0.96 3.14 -3.33 0.00 -1.26 -4.13 105.19 100.81 2pkr n GLY 123 Ca -0.14 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 0.46 4.16 -4.09 1.61 2.03 -1.26 -4.89 116.55 114.57 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 -1.66 -0.17 0.00 -0.72 0.00 0.00 41.12 38.57 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 4.16 1.67 0.09 5.18 1.01 -1.26 -4.99 121.20 127.07 2pkr s ILE 125 Ca 0.52 -0.74 -0.33 0.00 0.00 0.00 0.00 60.65 60.10 2pkr s ILE 125 Cb 0.09 -1.52 -0.12 0.00 0.01 0.00 0.00 42.46 40.93 2pkr s ILE 125 CO 0.00 0.48 1.76 -2.65 0.00 0.00 0.00 174.94 174.53 2pkr n PRO 126 N 4.21 2.45 -4.59 2.79 -0.02 -1.26 -4.78 135.00 133.81 2pkr n PRO 126 Ca -0.19 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 2pkr n PRO 126 Cb 0.51 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.36 3.54 0.05 3.45 2.01 -1.26 -0.46 115.64 125.33 2pkr s THR 127 Ca 0.83 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.38 2pkr s THR 127 Cb -0.59 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 2pkr s THR 127 CO 0.40 0.53 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.42 2pkr s TYR 128 N 0.06 1.12 -0.14 4.92 2.02 -0.13 -4.75 117.35 120.44 2pkr s TYR 128 Ca -0.02 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2pkr s TYR 128 Cb -0.14 -0.65 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 2pkr s TYR 128 CO 0.03 0.03 -0.05 0.08 -1.57 0.00 0.00 175.55 174.07 2pkr s VAL 129 N -1.01 0.99 0.17 0.71 1.01 -1.26 -4.14 120.40 116.87 2pkr s VAL 129 Ca -0.01 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.21 2pkr s VAL 129 Cb -0.08 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.06 2pkr s VAL 129 CO 0.01 0.20 1.70 -0.69 0.00 0.00 0.00 175.10 176.33 2pkr s VAL 130 N 1.70 2.37 0.00 2.92 1.01 -1.26 -1.11 120.40 126.03 2pkr s VAL 130 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2pkr s VAL 130 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2pkr s VAL 130 CO -0.08 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pkr n GLY 131 N 3.98 0.23 0.80 4.51 0.00 -1.26 -4.89 105.19 108.55 2pkr n GLY 131 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.73 -2.07 1.61 0.31 -0.27 -4.94 118.33 111.70 2pkr n VAL 132 Ca 0.00 0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2pkr n VAL 132 Cb 0.00 -1.66 -0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 -3.47 0.04 0.29 4.52 2.04 -0.97 -4.91 115.26 112.80 2pkr n ASN 133 Ca -0.10 -1.68 0.17 0.00 -0.44 0.00 0.00 54.58 52.54 2pkr n ASN 133 Cb 0.42 -0.10 0.90 0.00 -2.53 0.00 0.00 39.78 38.47 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 0.14 0.00 0.00 -3.83 9.09 -1.94 -2.12 114.58 115.93 2pkr h GLU 134 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 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 -0.02 0.05 0.00 0.39 0.05 0.00 0.00 179.01 179.48 2pkr n GLU 135 N -3.37 0.01 0.00 1.06 1.02 -1.26 -1.56 120.64 116.53 2pkr n GLU 135 Ca -0.02 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2pkr n GLU 135 Cb 0.18 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.99 -0.93 3.77 0.62 0.00 -0.80 -4.92 105.19 101.95 2pkr n GLY 136 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.75 2.93 0.03 1.61 5.04 -0.60 -5.04 117.35 118.56 2pkr s TYR 137 Ca 0.18 1.44 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 2pkr s TYR 137 Cb 0.18 -3.62 -0.02 0.00 0.35 0.00 0.00 41.96 38.85 2pkr s TYR 137 CO 0.61 -1.89 -0.08 0.95 -1.34 0.00 0.00 175.55 173.80 2pkr s THR 138 N -1.25 0.61 0.63 4.34 -4.23 -1.26 -5.03 115.64 109.45 2pkr s THR 138 Ca 0.55 -0.77 0.30 0.00 -1.18 0.00 0.00 61.69 60.59 2pkr s THR 138 Cb -0.37 -0.60 0.34 0.00 1.34 0.00 0.00 72.50 73.21 2pkr s THR 138 CO 0.48 -0.13 1.94 -0.74 -0.54 0.00 0.00 174.62 175.63 2pkr h HIS 139 N 5.11 0.00 0.00 3.99 2.76 -1.96 -2.11 115.15 122.94 2pkr h HIS 139 Ca -0.33 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.82 2pkr h HIS 139 Cb 1.19 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.15 2pkr h HIS 139 CO 0.54 0.00 -0.07 0.00 -1.30 0.00 0.00 177.93 177.10 2pkr h ALA 140 N 1.44 1.22 -1.80 5.26 0.00 -1.95 -3.42 119.26 120.02 2pkr h ALA 140 Ca 0.08 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 2pkr h ALA 140 Cb 0.80 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2pkr h ALA 140 CO -0.00 0.09 1.32 -0.51 0.00 0.00 0.00 179.25 180.15 2pkr s ASP 141 N -5.93 5.68 0.28 0.00 1.01 -0.80 -4.85 116.67 112.07 2pkr s ASP 141 Ca -0.03 1.16 0.15 0.00 0.71 0.00 0.00 52.55 54.54 2pkr s ASP 141 Cb 0.13 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.69 2pkr s ASP 141 CO 0.55 -1.90 1.48 0.71 0.21 0.00 0.00 175.17 176.22 2pkr h THR 142 N 6.89 0.93 -3.34 -1.27 1.35 -1.90 -3.43 112.91 112.14 2pkr h THR 142 Ca -0.32 -2.20 -0.42 0.00 -0.55 0.00 0.00 66.41 62.93 2pkr h THR 142 Cb 1.18 2.37 -0.37 0.00 -1.73 0.00 0.00 68.15 69.60 2pkr h THR 142 CO 1.07 0.51 -0.76 -0.63 -0.25 0.00 0.00 175.52 175.45 2pkr s ILE 143 N -3.05 0.37 0.20 6.82 1.01 -1.26 -0.58 121.20 124.70 2pkr s ILE 143 Ca 0.03 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2pkr s ILE 143 Cb 0.08 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 2pkr s ILE 143 CO 0.74 0.23 -0.10 0.27 0.00 0.00 0.00 174.94 176.08 2pkr s ILE 144 N 1.61 1.43 0.01 2.92 -4.36 -0.04 -3.98 121.20 118.78 2pkr s ILE 144 Ca -0.01 -2.12 0.07 0.00 -0.26 0.00 0.00 60.65 58.33 2pkr s ILE 144 Cb -0.13 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 2pkr s ILE 144 CO -0.03 -0.58 -0.21 -0.55 0.24 0.00 0.00 174.94 173.81 2pkr s SER 145 N -3.28 2.51 -0.23 4.36 0.15 0.39 -0.53 113.70 117.07 2pkr s SER 145 Ca 0.22 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.58 2pkr s SER 145 Cb 0.02 -0.25 0.81 0.00 -1.71 0.00 0.00 66.02 64.88 2pkr s SER 145 CO 0.05 0.23 1.74 -3.20 1.20 0.00 0.00 173.24 173.26 2pkr n ASN 146 N 2.29 5.63 -0.55 5.45 5.15 -0.79 -0.96 115.26 131.48 2pkr n ASN 146 Ca -0.16 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 2pkr n ASN 146 Cb 0.53 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.64 0.00 -2.15 5.20 0.00 -1.25 -4.81 120.51 118.14 2pkr n ALA 147 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 2pkr n ALA 147 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.62 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 5.57 0.13 0.00 1.04 -1.26 -3.51 113.70 111.67 2pkr s SER 148 Ca 0.00 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 2pkr s SER 148 Cb 0.00 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 2pkr s SER 148 CO 0.00 -0.67 1.79 0.00 0.98 0.00 0.00 173.24 175.34 2pkr h THR 150 N 0.37 1.23 -0.34 0.00 2.02 -1.95 -2.28 112.91 111.95 2pkr h THR 150 Ca 0.10 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 2pkr h THR 150 Cb -0.04 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2pkr h THR 150 CO -0.02 0.28 -0.07 0.74 0.37 0.00 0.00 175.52 176.82 2pkr h THR 151 N 0.95 1.22 0.00 3.16 2.02 -1.67 -0.12 112.91 118.47 2pkr h THR 151 Ca 0.23 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2pkr h THR 151 Cb 0.16 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2pkr h THR 151 CO -0.02 0.32 0.00 0.78 0.37 0.00 0.00 175.52 176.96 2pkr h ASN 152 N 0.52 0.00 0.11 4.18 4.21 -0.74 -1.91 115.58 121.95 2pkr h ASN 152 Ca 0.10 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.27 2pkr h ASN 152 Cb 0.44 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2pkr h ASN 152 CO 0.02 0.00 -1.86 0.00 -1.29 0.00 0.00 177.43 174.30 2pkr h LEU 154 N -0.10 -0.41 -0.97 0.00 5.85 -1.01 -3.38 115.31 115.29 2pkr h LEU 154 Ca -0.41 -0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.49 2pkr h LEU 154 Cb 1.92 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 42.87 2pkr h LEU 154 CO 0.05 0.03 -0.23 0.00 -0.34 0.00 0.00 178.44 177.95 2pkr h ALA 155 N -1.05 0.66 -0.26 1.25 0.00 -1.59 -1.41 119.26 116.85 2pkr h ALA 155 Ca -0.05 0.38 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2pkr h ALA 155 Cb 0.41 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2pkr h ALA 155 CO 0.08 -0.39 -0.16 -1.35 0.00 0.00 0.00 179.25 177.43 2pkr h PRO 156 N 0.00 -0.14 0.00 0.00 0.11 -1.78 0.99 132.00 131.18 2pkr h PRO 156 Ca 0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2pkr h PRO 156 Cb 0.72 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2pkr h PRO 156 CO -1.00 -0.09 -0.20 0.27 -0.21 0.00 0.00 178.00 176.77 2pkr h PHE 157 N -0.14 0.00 -0.23 0.65 -5.15 -1.59 -3.10 116.94 107.38 2pkr h PHE 157 Ca 0.14 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.74 2pkr h PHE 157 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.52 2pkr h PHE 157 CO -0.34 0.00 -0.55 0.28 -2.00 0.00 0.00 178.31 175.70 2pkr h VAL 158 N 0.00 1.30 -0.82 0.88 2.07 -0.80 -0.48 116.25 118.40 2pkr h VAL 158 Ca 0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2pkr h VAL 158 Cb 0.90 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 2pkr h VAL 158 CO 0.00 0.56 0.52 0.50 0.02 0.00 0.00 177.57 179.17 2pkr h LYS 159 N 0.53 1.10 -0.20 1.57 3.64 -0.78 0.18 116.57 122.61 2pkr h LYS 159 Ca 0.01 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2pkr h LYS 159 Cb 1.12 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2pkr h LYS 159 CO 0.11 0.76 -0.05 0.28 -2.27 0.00 0.00 179.45 178.28 2pkr h VAL 160 N 1.12 1.29 -0.79 2.00 2.07 -1.42 -1.85 116.25 118.67 2pkr h VAL 160 Ca 0.30 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2pkr h VAL 160 Cb -0.08 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2pkr h VAL 160 CO -0.06 0.32 0.50 -0.07 0.02 0.00 0.00 177.57 178.27 2pkr h LEU 161 N 0.10 0.93 -0.21 2.57 3.38 -0.69 0.65 115.31 122.05 2pkr h LEU 161 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2pkr h LEU 161 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pkr h LEU 161 CO 0.02 0.69 -0.26 -0.78 0.09 0.00 0.00 178.44 178.20 2pkr h ASP 162 N 1.08 0.59 -0.20 -0.43 3.58 -0.91 0.74 116.42 120.86 2pkr h ASP 162 Ca 0.29 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 2pkr h ASP 162 Cb -0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2pkr h ASP 162 CO -0.06 0.97 0.04 1.56 -2.88 0.00 0.00 179.24 178.87 2pkr h GLN 163 N 0.22 0.33 0.04 0.28 4.20 -0.94 0.85 115.11 120.09 2pkr h GLN 163 Ca 0.03 -0.09 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 2pkr h GLN 163 Cb 0.83 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2pkr h GLN 163 CO 0.06 0.47 -1.00 0.87 -0.67 0.00 0.00 178.83 178.56 2pkr h LYS 164 N 0.14 0.22 0.00 1.46 6.56 -0.92 -3.40 116.57 120.63 2pkr h LYS 164 Ca 0.06 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2pkr h LYS 164 Cb 0.30 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2pkr h LYS 164 CO 0.00 1.06 -0.10 1.19 -2.06 0.00 0.00 179.45 179.54 2pkr n PHE 165 N -3.60 0.00 -1.65 -1.35 3.72 0.20 -4.94 117.46 109.84 2pkr n PHE 165 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2pkr n PHE 165 Cb 0.89 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.42 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 0.69 -4.01 3.60 1.37 0.00 0.29 -1.76 105.19 105.36 2pkr n GLY 166 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.25 4.68 -0.10 -0.61 1.01 -1.26 0.17 121.20 124.85 2pkr s ILE 167 Ca -0.03 1.06 -0.26 0.00 0.00 0.00 0.00 60.65 61.42 2pkr s ILE 167 Cb 0.00 -4.25 -0.27 0.00 0.01 0.00 0.00 42.46 37.95 2pkr s ILE 167 CO 0.08 -0.45 0.85 0.40 0.00 0.00 0.00 174.94 175.82 2pkr h ILE 168 N 5.76 1.67 -2.21 2.92 2.04 -1.31 -3.48 117.51 122.90 2pkr h ILE 168 Ca -0.24 -2.35 0.16 0.00 1.00 0.00 0.00 64.86 63.43 2pkr h ILE 168 Cb 1.09 3.25 -0.13 0.00 -0.74 0.00 0.00 36.82 40.29 2pkr h ILE 168 CO 0.94 0.63 0.53 -1.59 0.00 0.00 0.00 178.15 178.66 2pkr s LYS 169 N -2.42 0.90 0.13 2.37 -2.85 -1.21 -4.84 119.74 111.83 2pkr s LYS 169 Ca -0.17 -0.42 -0.25 0.00 -1.00 0.00 0.00 55.97 54.13 2pkr s LYS 169 Cb -0.01 0.36 0.08 0.00 -2.06 0.00 0.00 37.83 36.20 2pkr s LYS 169 CO 0.74 -0.41 1.04 0.20 0.10 0.00 0.00 175.35 177.02 2pkr s GLY 170 N -2.67 -0.19 0.06 0.59 0.00 0.35 -1.07 107.32 104.40 2pkr s GLY 170 Ca 0.08 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.93 2pkr s GLY 170 CO -0.04 0.58 -0.06 -1.08 0.00 0.00 0.00 173.10 172.51 2pkr s THR 171 N -2.89 0.45 -0.00 0.90 -1.32 0.73 -3.13 115.64 110.38 2pkr s THR 171 Ca 0.15 -1.52 -0.05 0.00 -1.21 0.00 0.00 61.69 59.06 2pkr s THR 171 Cb -0.01 -1.14 -0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2pkr s THR 171 CO 0.02 -0.72 0.09 0.00 -2.21 0.00 0.00 174.62 171.80 2pkr s MET 172 N -2.90 0.36 -0.04 7.08 0.23 -0.24 -0.97 119.30 122.82 2pkr s MET 172 Ca 0.01 -0.33 0.01 0.00 -1.03 0.00 0.00 55.69 54.35 2pkr s MET 172 Cb -0.00 0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.46 2pkr s MET 172 CO -0.04 -0.08 -0.05 0.99 -2.03 0.00 0.00 175.02 173.82 2pkr s THR 173 N -1.08 0.52 -0.20 3.16 2.01 0.48 -1.18 115.64 119.36 2pkr s THR 173 Ca -0.12 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2pkr s THR 173 Cb -0.07 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2pkr s THR 173 CO 0.01 0.21 -0.12 0.28 -0.69 0.00 0.00 174.62 174.31 2pkr s THR 174 N 0.79 2.75 -0.57 -0.82 -1.32 -0.58 -0.61 115.64 115.27 2pkr s THR 174 Ca -0.11 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.42 2pkr s THR 174 Cb -0.13 -2.22 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 2pkr s THR 174 CO 0.00 0.47 0.93 -0.89 -2.21 0.00 0.00 174.62 172.93 2pkr s THR 175 N 1.39 4.40 -0.08 5.08 2.01 -0.34 -0.42 115.64 127.67 2pkr s THR 175 Ca 0.05 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2pkr s THR 175 Cb -0.14 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2pkr s THR 175 CO -0.08 -1.17 -0.09 -2.28 -0.69 0.00 0.00 174.62 170.31 2pkr s HIS 176 N 3.92 2.89 0.68 4.92 5.04 0.68 -1.47 115.29 131.94 2pkr s HIS 176 Ca 0.28 -0.09 -0.17 0.00 -1.54 0.00 0.00 55.06 53.54 2pkr s HIS 176 Cb -0.14 -1.72 0.01 0.00 0.04 0.00 0.00 32.58 30.77 2pkr s HIS 176 CO 0.17 0.23 1.24 -1.12 -2.34 0.00 0.00 174.74 172.92 2pkr s SER 177 N -0.61 4.52 0.72 9.88 0.01 -1.25 -0.68 113.70 126.29 2pkr s SER 177 Ca 0.09 2.46 -0.13 0.00 1.31 0.00 0.00 55.95 59.68 2pkr s SER 177 Cb -0.12 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.54 2pkr s SER 177 CO 0.02 -2.05 1.10 -0.72 0.41 0.00 0.00 173.24 172.00 2pkr s TYR 178 N -1.70 2.58 0.26 2.43 -0.85 -0.45 -4.72 117.35 114.90 2pkr s TYR 178 Ca 0.78 1.56 0.02 0.00 -0.52 0.00 0.00 57.07 58.91 2pkr s TYR 178 Cb -0.32 -3.11 -0.05 0.00 0.38 0.00 0.00 41.96 38.85 2pkr s TYR 178 CO 0.41 -1.77 0.06 0.95 -1.52 0.00 0.00 175.55 173.68 2pkr s THR 179 N -2.62 0.79 -0.18 -3.49 -4.23 -1.26 -4.69 115.64 99.95 2pkr s THR 179 Ca 0.64 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.32 2pkr s THR 179 Cb -0.19 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.23 2pkr s THR 179 CO 0.49 -0.09 1.48 0.61 -0.54 0.00 0.00 174.62 176.57 2pkr n GLY 180 N -0.49 -0.74 0.00 3.99 0.00 -1.26 -0.62 105.19 106.07 2pkr n GLY 180 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.12 0.00 -4.99 1.61 2.03 -1.26 -4.77 116.55 107.06 2pkr n ASP 181 Ca -0.01 0.15 -0.19 0.00 0.52 0.00 0.00 54.79 55.25 2pkr n ASP 181 Cb 0.13 -0.37 0.01 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.75 2.91 -0.04 -0.67 -0.21 0.21 -4.95 119.66 114.17 2pkr s GLN 182 Ca 0.20 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 2pkr s GLN 182 Cb 0.18 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2pkr s GLN 182 CO 0.44 -0.25 0.17 1.03 -2.12 0.00 0.00 175.29 174.56 2pkr s ARG 183 N -4.41 3.44 0.01 2.91 1.81 -1.12 -4.98 118.95 116.62 2pkr s ARG 183 Ca 0.51 -0.28 -0.25 0.00 -1.72 0.00 0.00 55.73 53.99 2pkr s ARG 183 Cb -0.10 -3.12 -0.18 0.00 -0.45 0.00 0.00 34.95 31.10 2pkr s ARG 183 CO 0.34 0.70 1.39 1.25 -0.68 0.00 0.00 175.30 178.31 2pkr h LEU 184 N 4.10 -0.05 -8.88 2.53 5.85 -1.91 -0.98 115.31 115.97 2pkr h LEU 184 Ca -0.50 -0.31 -0.56 0.00 0.84 0.00 0.00 57.88 57.35 2pkr h LEU 184 Cb 1.20 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.06 2pkr h LEU 184 CO 0.66 0.28 -0.80 -0.76 -0.34 0.00 0.00 178.44 177.49 2pkr s LEU 185 N -9.54 2.43 -0.32 2.25 1.43 -1.26 -3.43 118.68 110.24 2pkr s LEU 185 Ca -0.15 -0.85 -0.44 0.00 -1.03 0.00 0.00 54.13 51.66 2pkr s LEU 185 Cb 0.03 -0.93 -0.20 0.00 0.03 0.00 0.00 46.19 45.12 2pkr s LEU 185 CO 0.65 0.02 1.44 0.47 0.23 0.00 0.00 176.35 179.16 2pkr n ASP 186 N 0.33 0.92 -3.77 2.29 9.92 -1.26 -4.43 116.55 120.55 2pkr n ASP 186 Ca -0.13 1.17 -0.09 0.00 -0.53 0.00 0.00 54.79 55.21 2pkr n ASP 186 Cb 0.56 -0.92 -0.03 0.00 -0.64 0.00 0.00 41.12 40.10 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 2.04 -1.15 0.29 2.24 0.00 -0.35 -4.92 121.76 119.91 2pkr s ALA 187 Ca 1.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 2pkr s ALA 187 Cb -1.39 0.88 -0.12 0.00 0.00 0.00 0.00 23.12 22.49 2pkr s ALA 187 CO 0.72 -0.93 1.46 -1.13 0.00 0.00 0.00 175.76 175.88 2pkr n SER 188 N -0.42 3.25 -3.62 0.00 3.41 -1.26 -4.51 113.62 110.47 2pkr n SER 188 Ca -0.07 1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 59.61 2pkr n SER 188 Cb 0.61 -1.52 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 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 -0.37 -0.46 0.38 7.33 5.04 -1.26 -4.92 115.29 121.03 2pkr s HIS 190 Ca 0.62 1.04 0.09 0.00 -1.54 0.00 0.00 55.06 55.27 2pkr s HIS 190 Cb -0.56 0.38 0.77 0.00 0.04 0.00 0.00 32.58 33.22 2pkr s HIS 190 CO 0.53 -0.26 1.92 0.07 -2.34 0.00 0.00 174.74 174.66 2pkr h ARG 191 N 3.79 0.29 -5.57 2.88 0.11 -1.98 -3.36 114.38 110.54 2pkr h ARG 191 Ca -0.26 -0.06 -0.64 0.00 0.10 0.00 0.00 59.98 59.12 2pkr h ARG 191 Cb 1.17 -0.04 -0.14 0.00 1.11 0.00 0.00 29.97 32.07 2pkr h ARG 191 CO 0.16 0.39 0.24 0.34 0.10 0.00 0.00 179.97 181.20 2pkr s ASP 192 N -6.85 6.36 0.46 0.08 -1.08 -1.26 -4.94 116.67 109.43 2pkr s ASP 192 Ca -0.06 -0.26 0.31 0.00 -0.52 0.00 0.00 52.55 52.02 2pkr s ASP 192 Cb 0.16 -2.35 1.63 0.00 -1.46 0.00 0.00 42.92 40.89 2pkr s ASP 192 CO 0.74 -0.86 1.95 -0.07 0.52 0.00 0.00 175.17 177.44 2pkr h LEU 193 N 9.94 0.00 0.13 -1.34 3.38 -1.99 -2.18 115.31 123.24 2pkr h LEU 193 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 2pkr h LEU 193 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2pkr h LEU 193 CO 0.93 0.00 -1.75 0.03 0.09 0.00 0.00 178.44 177.74 2pkr h ARG 194 N 0.00 0.27 0.00 1.13 3.08 -1.92 -3.31 114.38 113.63 2pkr h ARG 194 Ca 0.00 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2pkr h ARG 194 Cb 0.08 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2pkr h ARG 194 CO 0.00 1.22 0.00 0.54 -1.07 0.00 0.00 179.97 180.66 2pkr n ARG 195 N -3.69 0.01 0.20 0.04 1.74 -0.88 -1.76 116.66 112.32 2pkr n ARG 195 Ca -0.29 0.26 0.14 0.00 -0.77 0.00 0.00 57.85 57.19 2pkr n ARG 195 Cb 0.99 -1.52 0.42 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 2.48 1.00 -2.52 7.54 0.00 -1.50 -2.96 119.26 123.31 2pkr h ALA 196 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2pkr h ALA 196 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2pkr h ALA 196 CO 0.00 0.00 0.14 1.03 0.00 0.00 0.00 179.25 180.42 2pkr s ARG 197 N -3.34 4.31 -0.36 0.00 1.81 -0.72 -1.21 118.95 119.44 2pkr s ARG 197 Ca 0.06 0.94 -0.32 0.00 -1.72 0.00 0.00 55.73 54.69 2pkr s ARG 197 Cb 0.08 -2.88 -0.14 0.00 -0.45 0.00 0.00 34.95 31.57 2pkr s ARG 197 CO 0.57 0.38 1.42 0.00 -0.68 0.00 0.00 175.30 177.00 2pkr n ALA 198 N 0.73 -0.14 0.10 2.13 0.00 -1.26 -4.47 120.51 117.60 2pkr n ALA 198 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 2pkr n ALA 198 Cb 0.51 -1.45 0.17 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 5.67 0.98 -0.01 0.00 0.00 -1.19 -2.99 119.26 121.72 2pkr h ALA 199 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2pkr h ALA 199 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pkr h ALA 199 CO 0.76 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 180.65 2pkr n LEU 201 N -0.32 1.02 -4.19 0.00 4.77 -1.13 -4.77 117.00 112.38 2pkr n LEU 201 Ca 0.20 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 55.35 2pkr n LEU 201 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2pkr n LEU 201 CO 0.18 0.21 -0.32 0.20 -1.33 0.00 0.00 177.39 176.33 2pkr s ASN 202 N -1.42 0.82 -0.27 -1.43 -0.87 -1.19 -5.07 114.94 105.51 2pkr s ASN 202 Ca 0.07 -1.16 -0.10 0.00 -1.57 0.00 0.00 52.86 50.10 2pkr s ASN 202 Cb 0.07 0.19 -0.04 0.00 -0.02 0.00 0.00 41.25 41.45 2pkr s ASN 202 CO 0.26 -0.62 0.15 -0.63 -2.57 0.00 0.00 177.10 173.70 2pkr s ILE 203 N -3.82 5.00 -0.34 0.60 1.01 -1.26 -4.13 121.20 118.26 2pkr s ILE 203 Ca 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2pkr s ILE 203 Cb 0.07 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 39.23 2pkr s ILE 203 CO 0.01 0.28 0.07 -0.69 0.00 0.00 0.00 174.94 174.61 2pkr s VAL 204 N 1.71 3.09 0.51 2.92 1.01 0.21 -4.91 120.40 124.93 2pkr s VAL 204 Ca 0.07 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2pkr s VAL 204 Cb -0.16 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 2pkr s VAL 204 CO 0.09 -0.30 1.17 -2.84 0.00 0.00 0.00 175.10 173.22 2pkr s PRO 205 N 1.21 3.50 0.24 2.72 0.02 -1.26 -0.30 135.00 141.13 2pkr s PRO 205 Ca -0.00 1.76 -0.19 0.00 0.02 0.00 0.00 61.00 62.59 2pkr s PRO 205 Cb -0.21 -2.21 0.07 0.00 0.02 0.00 0.00 34.50 32.17 2pkr s PRO 205 CO -0.02 -0.77 0.91 -2.37 -0.33 0.00 0.00 177.00 174.43 2pkr n THR 206 N -0.91 0.00 -0.58 0.99 5.66 0.20 -4.71 114.28 114.94 2pkr n THR 206 Ca 0.10 -0.67 -0.20 0.00 -3.05 0.00 0.00 64.05 60.23 2pkr n THR 206 Cb 0.49 0.80 0.02 0.00 -1.55 0.00 0.00 70.33 70.09 2pkr n THR 206 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2pkr n SER 207 N -1.34 -3.03 -3.45 1.09 3.41 -1.26 -1.73 113.62 107.31 2pkr n SER 207 Ca -0.04 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2pkr n SER 207 Cb 0.56 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2pkr n SER 207 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pkr s THR 208 N -1.09 0.00 -0.22 6.66 -1.32 -1.26 -4.19 115.64 114.22 2pkr s THR 208 Ca 0.24 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.87 2pkr s THR 208 Cb -0.14 -1.00 0.66 0.00 -1.51 0.00 0.00 72.50 70.51 2pkr s THR 208 CO 0.43 0.00 1.56 0.61 -2.21 0.00 0.00 174.62 175.02 2pkr n GLY 209 N -0.13 3.59 0.14 6.08 0.00 -1.26 -4.41 105.19 109.20 2pkr n GLY 209 Ca -0.16 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 2pkr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr n ALA 210 N -0.02 1.39 0.00 4.61 0.00 -1.26 -3.52 120.51 121.71 2pkr n ALA 210 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2pkr n ALA 210 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2pkr n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr n ALA 211 N -3.52 0.00 0.00 0.00 0.00 -1.26 0.21 120.51 115.94 2pkr n ALA 211 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2pkr n ALA 211 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 2pkr n ALA 211 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pkr n LYS 212 N 0.00 0.00 0.06 0.00 4.76 -1.26 -3.62 118.16 118.10 2pkr n LYS 212 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 2pkr n LYS 212 Cb 0.00 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.25 2pkr n LYS 212 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pkr h ALA 213 N 0.00 0.68 -0.74 7.82 0.00 -0.28 -3.05 119.26 123.70 2pkr h ALA 213 Ca 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 54.91 54.45 2pkr h ALA 213 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 2pkr h ALA 213 CO 0.00 0.76 0.32 0.28 0.00 0.00 0.00 179.25 180.61 2pkr h VAL 214 N 0.24 0.72 0.00 0.00 2.07 -1.13 0.56 116.25 118.72 2pkr h VAL 214 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2pkr h VAL 214 Cb 1.24 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2pkr h VAL 214 CO 0.11 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 2pkr h ALA 215 N 1.51 1.30 -0.39 1.67 0.00 -1.72 0.30 119.26 121.92 2pkr h ALA 215 Ca 0.39 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2pkr h ALA 215 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2pkr h ALA 215 CO -0.36 0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 178.56 2pkr h LEU 216 N 0.00 0.95 0.00 0.00 3.38 0.05 -2.14 115.31 117.55 2pkr h LEU 216 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2pkr h LEU 216 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2pkr h LEU 216 CO 0.00 1.19 -0.76 1.33 0.09 0.00 0.00 178.44 180.29 2pkr n VAL 217 N -4.13 0.11 -3.32 1.22 0.24 -0.63 -4.45 118.33 107.36 2pkr n VAL 217 Ca -0.02 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.34 61.90 2pkr n VAL 217 Cb 0.50 0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.74 0.26 -0.58 1.34 4.77 0.97 -4.58 117.00 117.43 2pkr n LEU 218 Ca 0.04 -4.63 0.47 0.00 -0.03 0.00 0.00 56.01 51.86 2pkr n LEU 218 Cb 0.38 0.45 0.80 0.00 -2.33 0.00 0.00 43.42 42.72 2pkr n LEU 218 CO 0.38 1.97 1.44 -0.65 -1.33 0.00 0.00 177.39 179.19 2pkr h PRO 219 N 4.76 0.00 0.00 3.23 0.11 -1.60 0.14 132.00 138.64 2pkr h PRO 219 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pkr h PRO 219 Cb 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pkr h PRO 219 CO 0.46 0.00 0.00 -0.97 -0.21 0.00 0.00 178.00 177.28 2pkr h ASN 220 N 0.00 0.00 -0.50 -2.05 -1.24 -1.95 -1.93 115.58 107.92 2pkr h ASN 220 Ca 0.82 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.83 2pkr h ASN 220 Cb 3.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 42.33 2pkr h ASN 220 CO -0.02 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.30 2pkr n LEU 221 N -2.43 3.16 -4.68 0.34 7.99 0.49 -4.94 117.00 116.94 2pkr n LEU 221 Ca 0.01 -1.50 -0.46 0.00 -0.01 0.00 0.00 56.01 54.05 2pkr n LEU 221 Cb 0.17 -0.33 -0.04 0.00 -0.11 0.00 0.00 43.42 43.11 2pkr n LEU 221 CO 0.18 0.75 1.36 1.17 -1.51 0.00 0.00 177.39 179.34 2pkr n LYS 222 N 1.25 2.26 -0.90 3.23 4.81 -0.73 -1.69 118.16 126.39 2pkr n LYS 222 Ca 0.20 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 2pkr n LYS 222 Cb 0.52 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.93 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 3.95 0.44 0.02 3.14 0.00 -1.26 -4.86 105.19 106.61 2pkr n GLY 223 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.67 0.27 -4.30 1.61 5.02 -0.68 -4.98 118.16 113.42 2pkr n LYS 224 Ca 0.00 -0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 2pkr n LYS 224 Cb 0.10 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.75 2.50 0.20 -0.35 1.43 -1.26 -0.49 118.68 116.97 2pkr s LEU 225 Ca 0.03 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 51.85 2pkr s LEU 225 Cb 0.15 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.95 2pkr s LEU 225 CO 0.84 -0.29 0.86 0.21 0.23 0.00 0.00 176.35 178.19 2pkr s ASN 226 N -3.25 -0.22 0.00 2.29 3.84 -1.18 -4.47 114.94 111.95 2pkr s ASN 226 Ca 0.20 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.81 2pkr s ASN 226 Cb 0.02 0.58 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 2pkr s ASN 226 CO 0.04 -1.07 0.00 0.61 -2.79 0.00 0.00 177.10 173.89 2pkr n GLY 227 N -0.46 -1.49 3.41 1.21 0.00 -1.26 -1.08 105.19 105.52 2pkr n GLY 227 Ca -0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.49 0.00 0.07 -0.61 -5.25 -0.32 -4.77 121.20 107.82 2pkr s ILE 228 Ca 0.00 -1.70 0.08 0.00 -0.99 0.00 0.00 60.65 58.04 2pkr s ILE 228 Cb 0.00 -2.46 -0.03 0.00 2.95 0.00 0.00 42.46 42.92 2pkr s ILE 228 CO 0.00 0.00 -0.21 0.00 -1.79 0.00 0.00 174.94 172.94 2pkr s ALA 229 N -3.67 1.81 -0.27 2.27 0.00 -0.71 -1.52 121.76 119.67 2pkr s ALA 229 Ca 0.32 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2pkr s ALA 229 Cb 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2pkr s ALA 229 CO 0.16 0.39 -0.05 -0.51 0.00 0.00 0.00 175.76 175.75 2pkr s LEU 230 N -1.51 3.34 0.10 0.00 1.43 0.43 -0.63 118.68 121.85 2pkr s LEU 230 Ca 0.07 -1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 2pkr s LEU 230 Cb -0.09 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 2pkr s LEU 230 CO 0.03 -0.26 0.93 -0.13 0.23 0.00 0.00 176.35 177.15 2pkr s ARG 231 N 1.19 4.67 0.26 1.70 1.81 0.59 -0.23 118.95 128.95 2pkr s ARG 231 Ca -0.03 1.39 0.04 0.00 -1.72 0.00 0.00 55.73 55.41 2pkr s ARG 231 Cb -0.19 -3.37 -0.06 0.00 -0.45 0.00 0.00 34.95 30.88 2pkr s ARG 231 CO -0.07 0.23 0.00 0.14 -0.68 0.00 0.00 175.30 174.92 2pkr s VAL 232 N -0.04 1.19 -0.02 3.52 -7.23 0.15 0.64 120.40 118.60 2pkr s VAL 232 Ca 0.45 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2pkr s VAL 232 Cb -0.23 -2.48 -0.14 0.00 0.56 0.00 0.00 36.38 34.09 2pkr s VAL 232 CO 0.29 -0.24 2.12 -2.65 -0.31 0.00 0.00 175.10 174.31 2pkr n PRO 233 N -0.52 1.06 -4.73 4.82 -0.02 -1.26 -2.88 135.00 131.48 2pkr n PRO 233 Ca -0.04 -0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 60.64 2pkr n PRO 233 Cb 0.64 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.00 1.59 -0.03 3.45 -4.23 -1.26 -4.99 115.64 112.17 2pkr s THR 234 Ca 0.35 -1.07 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 2pkr s THR 234 Cb 0.16 -1.37 0.26 0.00 1.34 0.00 0.00 72.50 72.89 2pkr s THR 234 CO -0.00 0.27 1.76 1.55 -0.54 0.00 0.00 174.62 177.65 2pkr h PRO 235 N 5.13 0.00 -1.56 3.99 0.13 -1.87 -1.18 132.00 136.65 2pkr h PRO 235 Ca -0.41 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 2pkr h PRO 235 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 2pkr h PRO 235 CO 0.45 0.18 0.52 1.21 -0.23 0.00 0.00 178.00 180.13 2pkr s ASN 236 N -6.14 -0.39 0.00 1.44 2.47 -1.26 -4.63 114.94 106.42 2pkr s ASN 236 Ca 0.02 0.60 0.00 0.00 0.42 0.00 0.00 52.86 53.90 2pkr s ASN 236 Cb 0.09 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.44 2pkr s ASN 236 CO 0.64 -0.24 0.00 0.52 -3.72 0.00 0.00 177.10 174.30 2pkr n VAL 237 N 1.42 0.00 -4.33 -5.21 0.31 -1.26 -4.89 118.33 104.37 2pkr n VAL 237 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.02 2pkr n VAL 237 Cb 0.57 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 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 0.00 1.77 -0.15 4.52 0.01 0.30 -3.74 113.70 116.41 2pkr s SER 238 Ca 0.00 -1.69 -0.12 0.00 1.31 0.00 0.00 55.95 55.45 2pkr s SER 238 Cb 0.00 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.79 2pkr s SER 238 CO 0.00 -1.00 0.39 0.54 0.41 0.00 0.00 173.24 173.58 2pkr s VAL 239 N -3.47 -0.01 -0.09 3.43 0.11 -0.54 -1.50 120.40 118.32 2pkr s VAL 239 Ca 0.36 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2pkr s VAL 239 Cb 0.03 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2pkr s VAL 239 CO 0.23 0.02 0.13 0.68 -3.33 0.00 0.00 175.10 172.82 2pkr s VAL 240 N 0.70 5.28 -0.26 2.04 -7.23 -0.19 -1.20 120.40 119.55 2pkr s VAL 240 Ca -0.04 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2pkr s VAL 240 Cb -0.05 -3.33 0.04 0.00 0.56 0.00 0.00 36.38 33.60 2pkr s VAL 240 CO -0.05 0.55 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.59 2pkr s ASP 241 N -1.22 4.35 -0.10 4.85 2.15 0.22 -1.27 116.67 125.64 2pkr s ASP 241 Ca 0.18 -1.12 0.02 0.00 0.43 0.00 0.00 52.55 52.05 2pkr s ASP 241 Cb -0.12 -1.61 -0.01 0.00 -0.30 0.00 0.00 42.92 40.88 2pkr s ASP 241 CO 0.07 -0.16 -0.17 -0.22 -0.17 0.00 0.00 175.17 174.51 2pkr s LEU 242 N 1.22 2.49 -0.11 -1.34 2.96 -0.73 -0.38 118.68 122.79 2pkr s LEU 242 Ca -0.04 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2pkr s LEU 242 Cb -0.18 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2pkr s LEU 242 CO -0.05 0.20 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 2pkr s VAL 243 N 0.11 1.58 0.01 1.68 1.01 -0.14 -0.63 120.40 124.02 2pkr s VAL 243 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2pkr s VAL 243 Cb -0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2pkr s VAL 243 CO 0.05 0.46 -0.03 0.68 0.00 0.00 0.00 175.10 176.26 2pkr s VAL 244 N 0.99 0.21 -0.15 2.92 -7.23 -0.36 -0.20 120.40 116.58 2pkr s VAL 244 Ca -0.06 -0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 59.41 2pkr s VAL 244 Cb -0.15 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2pkr s VAL 244 CO -0.02 -0.23 0.29 -1.58 -0.31 0.00 0.00 175.10 173.25 2pkr s GLN 245 N -0.83 4.19 0.27 4.82 0.74 -0.23 -0.41 119.66 128.20 2pkr s GLN 245 Ca -0.07 0.10 0.09 0.00 0.05 0.00 0.00 55.36 55.53 2pkr s GLN 245 Cb -0.06 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2pkr s GLN 245 CO -0.00 0.30 0.02 0.14 -0.55 0.00 0.00 175.29 175.20 2pkr s VAL 246 N 0.28 3.56 -0.05 1.34 -7.23 0.21 -0.82 120.40 117.68 2pkr s VAL 246 Ca 0.17 -1.85 0.13 0.00 -1.81 0.00 0.00 61.98 58.62 2pkr s VAL 246 Cb -0.13 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.79 2pkr s VAL 246 CO 0.04 -0.37 1.15 0.77 -0.31 0.00 0.00 175.10 176.39 2pkr h SER 247 N 1.83 0.00 -3.61 4.85 4.64 0.40 -3.44 113.55 118.22 2pkr h SER 247 Ca -0.45 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.18 2pkr h SER 247 Cb 1.25 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.14 2pkr h SER 247 CO 0.60 0.73 -0.46 -1.59 -0.87 0.00 0.00 176.83 175.25 2pkr s LYS 248 N -2.83 3.24 0.37 4.77 -2.85 -0.72 -5.05 119.74 116.67 2pkr s LYS 248 Ca 0.00 -0.83 -0.24 0.00 -1.00 0.00 0.00 55.97 53.90 2pkr s LYS 248 Cb 0.09 -3.88 -0.13 0.00 -2.06 0.00 0.00 37.83 31.85 2pkr s LYS 248 CO 0.79 -0.59 0.73 1.63 0.10 0.00 0.00 175.35 178.01 2pkr n LYS 249 N 5.13 0.83 -0.98 1.78 5.02 -1.26 -4.90 118.16 123.77 2pkr n LYS 249 Ca -0.12 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2pkr n LYS 249 Cb 0.48 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.49 0.00 -3.83 -0.18 5.66 0.58 -5.01 114.28 111.00 2pkr n THR 250 Ca 0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.02 2pkr n THR 250 Cb 0.37 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.07 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 -7.09 0.10 0.18 1.09 -0.71 -1.26 -4.61 117.98 105.68 2pkr s PHE 251 Ca 0.00 -0.47 -0.20 0.00 -1.04 0.00 0.00 56.93 55.21 2pkr s PHE 251 Cb 0.00 -0.02 0.12 0.00 -1.21 0.00 0.00 43.02 41.91 2pkr s PHE 251 CO 0.00 -0.53 1.59 0.00 -1.34 0.00 0.00 175.22 174.94 2pkr h ALA 252 N 2.86 -0.01 -0.79 1.99 0.00 -1.87 -2.04 119.26 119.39 2pkr h ALA 252 Ca -0.34 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2pkr h ALA 252 Cb 1.20 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 2pkr h ALA 252 CO 0.54 -0.65 0.49 0.93 0.00 0.00 0.00 179.25 180.55 2pkr h GLU 253 N -0.16 1.07 -0.59 0.00 3.07 -1.96 -0.23 114.58 115.78 2pkr h GLU 253 Ca 0.23 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 2pkr h GLU 253 Cb 0.54 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 2pkr h GLU 253 CO -0.64 0.74 0.17 1.49 -1.40 0.00 0.00 179.01 179.37 2pkr h GLU 254 N 1.09 0.94 -0.55 2.33 4.81 -1.90 -0.47 114.58 120.83 2pkr h GLU 254 Ca 0.29 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2pkr h GLU 254 Cb -0.06 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2pkr h GLU 254 CO -0.06 0.85 0.33 0.28 -0.73 0.00 0.00 179.01 179.68 2pkr h VAL 255 N 0.85 1.16 -0.47 0.32 2.07 -0.65 -0.88 116.25 118.66 2pkr h VAL 255 Ca 0.19 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2pkr h VAL 255 Cb 0.31 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2pkr h VAL 255 CO -0.00 0.17 0.24 0.78 0.02 0.00 0.00 177.57 178.77 2pkr h ASN 256 N 0.74 0.61 -0.35 0.57 -0.26 -0.70 -2.39 115.58 113.79 2pkr h ASN 256 Ca 0.20 -0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.89 2pkr h ASN 256 Cb -0.02 -0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.02 2pkr h ASN 256 CO -0.04 0.55 -0.09 0.00 -1.06 0.00 0.00 177.43 176.80 2pkr h ALA 257 N 1.08 0.23 -0.90 -0.83 0.00 -0.65 -0.42 119.26 117.78 2pkr h ALA 257 Ca 0.16 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2pkr h ALA 257 Cb 0.10 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2pkr h ALA 257 CO -0.02 -0.46 0.50 0.00 0.00 0.00 0.00 179.25 179.28 2pkr h ALA 258 N 1.35 1.39 -0.35 0.00 0.00 -0.69 -0.10 119.26 120.87 2pkr h ALA 258 Ca 0.17 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2pkr h ALA 258 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pkr h ALA 258 CO -0.36 -0.03 -0.29 0.74 0.00 0.00 0.00 179.25 179.31 2pkr h PHE 259 N 0.71 0.86 -0.36 0.00 0.04 -0.73 -2.65 116.94 114.81 2pkr h PHE 259 Ca 0.49 -0.22 -0.12 0.00 2.80 0.00 0.00 57.97 60.93 2pkr h PHE 259 Cb 0.67 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2pkr h PHE 259 CO -0.06 0.94 -0.25 0.00 -0.60 0.00 0.00 178.31 178.35 2pkr h ARG 260 N 0.63 0.74 0.09 1.51 3.08 0.39 -0.89 114.38 119.93 2pkr h ARG 260 Ca 0.08 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.83 2pkr h ARG 260 Cb 0.81 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2pkr h ARG 260 CO 0.07 0.91 -0.17 1.49 -1.07 0.00 0.00 179.97 181.20 2pkr h GLU 261 N 0.64 -0.32 -0.80 0.04 4.81 -0.88 -0.62 114.58 117.44 2pkr h GLU 261 Ca 0.08 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2pkr h GLU 261 Cb 0.75 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 2pkr h GLU 261 CO 0.06 -0.21 0.33 0.77 -0.73 0.00 0.00 179.01 179.22 2pkr h SER 262 N -0.33 1.09 -0.31 1.04 0.02 -1.42 -2.34 113.55 111.30 2pkr h SER 262 Ca 0.03 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2pkr h SER 262 Cb 0.35 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2pkr h SER 262 CO -0.10 0.96 0.13 0.00 -1.14 0.00 0.00 176.83 176.68 2pkr h ALA 263 N 1.19 1.52 -0.00 3.77 0.00 -0.69 0.42 119.26 125.48 2pkr h ALA 263 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pkr h ALA 263 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pkr h ALA 263 CO -0.02 0.36 -0.23 -0.25 0.00 0.00 0.00 179.25 179.11 2pkr n ASP 264 N -4.37 0.48 0.00 0.00 8.00 -0.28 -3.03 116.55 117.35 2pkr n ASP 264 Ca 0.02 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2pkr n ASP 264 Cb 0.16 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.17 0.00 0.25 -2.24 3.02 -0.71 -4.79 115.26 109.61 2pkr n ASN 265 Ca 0.10 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.82 2pkr n ASN 265 Cb 0.32 0.00 0.89 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 -1.79 -2.20 114.58 122.90 2pkr h GLU 266 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 266 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 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 -3.66 3.98 -4.71 3.06 4.77 0.14 -5.00 117.00 115.59 2pkr n LEU 267 Ca 0.00 -3.33 -0.42 0.00 -0.03 0.00 0.00 56.01 52.23 2pkr n LEU 267 Cb 0.26 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2pkr n LEU 267 CO 0.25 0.91 1.36 -0.75 -1.33 0.00 0.00 177.39 177.83 2pkr s LYS 268 N -3.01 4.16 0.00 3.23 2.20 -0.83 -1.06 119.74 124.42 2pkr s LYS 268 Ca 0.43 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 2pkr s LYS 268 Cb 0.37 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 2pkr s LYS 268 CO 0.05 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 2pkr n GLY 269 N 3.99 1.02 0.38 5.54 0.00 -1.26 -4.82 105.19 110.04 2pkr n GLY 269 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.02 -4.95 -0.61 2.08 -0.23 -4.35 119.36 109.33 2pkr n ILE 270 Ca 0.00 -0.01 -0.28 0.00 0.56 0.00 0.00 62.75 63.02 2pkr n ILE 270 Cb 0.00 -0.89 -0.15 0.00 -0.75 0.00 0.00 39.64 37.84 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 -5.41 2.11 0.08 1.39 2.96 -0.44 -0.41 118.68 118.96 2pkr s LEU 271 Ca -0.01 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2pkr s LEU 271 Cb 0.00 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2pkr s LEU 271 CO 0.01 0.25 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.80 2pkr s SER 272 N -0.92 0.84 -0.11 3.68 0.01 -0.45 -4.60 113.70 112.14 2pkr s SER 272 Ca 0.09 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.36 2pkr s SER 272 Cb -0.09 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.30 2pkr s SER 272 CO 0.01 -0.53 -0.14 -0.69 0.41 0.00 0.00 173.24 172.29 2pkr s VAL 273 N -3.76 1.46 -0.19 3.43 1.01 -1.26 -0.99 120.40 120.09 2pkr s VAL 273 Ca 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2pkr s VAL 273 Cb 0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2pkr s VAL 273 CO -0.07 0.43 -0.05 0.00 0.00 0.00 0.00 175.10 175.42 2pkr n ASP 275 N 4.28 2.75 -4.84 0.00 8.00 -1.26 -2.03 116.55 123.45 2pkr n ASP 275 Ca -0.18 -1.90 -0.35 0.00 0.71 0.00 0.00 54.79 53.08 2pkr n ASP 275 Cb 0.52 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.91 4.07 -1.35 -1.24 2.02 -1.26 -4.84 118.70 114.19 2pkr s GLU 276 Ca 0.32 0.64 -0.16 0.00 0.02 0.00 0.00 54.97 55.79 2pkr s GLU 276 Cb 0.21 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.65 2pkr s GLU 276 CO 0.31 0.39 1.99 -0.35 0.02 0.00 0.00 175.26 177.62 2pkr n PRO 277 N 0.55 2.92 -2.95 0.39 -0.04 -1.26 -4.94 135.00 129.67 2pkr n PRO 277 Ca -0.03 -2.88 -0.18 0.00 -0.04 0.00 0.00 63.50 60.38 2pkr n PRO 277 Cb 0.52 -3.39 0.02 0.00 -0.04 0.00 0.00 33.50 30.61 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 3.37 3.53 0.28 1.53 1.43 -1.26 -5.13 118.68 122.43 2pkr s LEU 278 Ca 0.51 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2pkr s LEU 278 Cb 0.09 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2pkr s LEU 278 CO 0.00 -0.90 -0.05 0.68 0.23 0.00 0.00 176.35 176.32 2pkr s VAL 279 N -2.46 1.58 0.29 -1.59 -7.23 -1.26 -5.05 120.40 104.68 2pkr s VAL 279 Ca 0.56 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2pkr s VAL 279 Cb -0.09 -2.48 0.36 0.00 0.56 0.00 0.00 36.38 34.72 2pkr s VAL 279 CO 0.35 -0.27 1.39 -1.54 -0.31 0.00 0.00 175.10 174.71 2pkr n SER 280 N -0.59 -0.02 0.17 4.85 3.41 -1.26 -1.20 113.62 118.98 2pkr n SER 280 Ca -0.05 1.50 0.08 0.00 -0.26 0.00 0.00 58.87 60.13 2pkr n SER 280 Cb 0.64 -0.58 0.59 0.00 -0.26 0.00 0.00 64.21 64.59 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 1.01 0.00 -1.33 6.09 -1.97 -1.89 117.51 119.42 2pkr h ILE 281 Ca 0.58 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 2pkr h ILE 281 Cb 1.28 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.42 2pkr h ILE 281 CO -0.80 0.03 0.00 0.44 -3.07 0.00 0.00 178.15 174.75 2pkr h ASP 282 N 0.15 0.00 -0.22 2.19 3.32 -1.57 -2.52 116.42 117.77 2pkr h ASP 282 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2pkr h ASP 282 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 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 -2.98 0.28 -1.98 4.55 3.72 -0.71 -4.93 117.46 115.41 2pkr n PHE 283 Ca 0.00 -0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 56.85 2pkr n PHE 283 Cb 0.26 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2pkr n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pkr s ARG 284 N -1.72 4.25 -1.10 -1.08 0.52 -0.95 -2.81 118.95 116.06 2pkr s ARG 284 Ca 0.34 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 2pkr s ARG 284 Cb 0.19 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.57 2pkr s ARG 284 CO 0.28 -0.44 0.00 0.00 0.02 0.00 0.00 175.30 175.16 2pkr s THR 286 N -2.57 4.94 0.21 0.00 -4.23 -1.12 -4.96 115.64 107.90 2pkr s THR 286 Ca 0.00 1.50 0.21 0.00 -1.18 0.00 0.00 61.69 62.22 2pkr s THR 286 Cb 0.00 -4.06 0.18 0.00 1.34 0.00 0.00 72.50 69.96 2pkr s THR 286 CO 0.00 0.30 1.81 0.44 -0.54 0.00 0.00 174.62 176.63 2pkr h ASP 287 N 6.33 0.00 -4.07 3.99 3.32 -1.92 -3.34 116.42 120.73 2pkr h ASP 287 Ca -0.42 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.13 2pkr h ASP 287 Cb 1.20 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.92 2pkr h ASP 287 CO 0.73 0.30 0.22 0.68 -1.72 0.00 0.00 179.24 179.46 2pkr s VAL 288 N -3.75 2.56 0.01 -1.35 -7.23 -1.26 -4.78 120.40 104.60 2pkr s VAL 288 Ca -0.00 0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.42 2pkr s VAL 288 Cb 0.11 -2.48 -0.23 0.00 0.56 0.00 0.00 36.38 34.34 2pkr s VAL 288 CO 0.66 -0.24 0.87 0.28 -0.31 0.00 0.00 175.10 176.36 2pkr h SER 289 N -1.70 0.08 -3.88 4.85 0.02 -0.97 -3.43 113.55 108.52 2pkr h SER 289 Ca -0.48 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.17 2pkr h SER 289 Cb 1.27 -0.03 -0.26 0.00 0.14 0.00 0.00 62.40 63.53 2pkr h SER 289 CO 0.50 1.11 -0.47 -0.55 -1.14 0.00 0.00 176.83 176.27 2pkr s SER 290 N -6.46 -0.20 -0.13 3.07 0.15 -0.88 -4.17 113.70 105.09 2pkr s SER 290 Ca -0.04 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 2pkr s SER 290 Cb 0.08 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2pkr s SER 290 CO 0.83 -0.09 0.01 -0.89 1.20 0.00 0.00 173.24 174.29 2pkr s THR 291 N 0.01 0.52 0.25 6.45 2.01 -0.37 -1.35 115.64 123.16 2pkr s THR 291 Ca -0.01 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 2pkr s THR 291 Cb -0.02 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 2pkr s THR 291 CO 0.00 0.08 1.06 -0.63 -0.69 0.00 0.00 174.62 174.44 2pkr s ILE 292 N 1.89 3.73 -0.69 1.82 -1.09 -0.16 0.87 121.20 127.58 2pkr s ILE 292 Ca 0.03 1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 59.97 2pkr s ILE 292 Cb -0.14 -4.07 0.15 0.00 -1.58 0.00 0.00 42.46 36.82 2pkr s ILE 292 CO -0.07 0.38 0.70 -0.62 -1.23 0.00 0.00 174.94 174.10 2pkr s ASP 293 N -0.78 6.42 0.25 3.58 -1.08 0.25 -0.54 116.67 124.76 2pkr s ASP 293 Ca 0.45 -2.03 -0.03 0.00 -0.52 0.00 0.00 52.55 50.41 2pkr s ASP 293 Cb -0.30 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.39 2pkr s ASP 293 CO 0.37 -0.85 1.74 0.77 0.52 0.00 0.00 175.17 177.73 2pkr h SER 294 N 8.58 0.38 0.42 -0.34 4.64 -1.70 -2.24 113.55 123.30 2pkr h SER 294 Ca -0.12 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2pkr h SER 294 Cb 1.07 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2pkr h SER 294 CO 0.96 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 175.54 2pkr n SER 295 N -4.94 0.00 -0.16 4.97 3.41 -1.26 -2.36 113.62 113.28 2pkr n SER 295 Ca 0.15 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 2pkr n SER 295 Cb 0.41 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.41 1.24 -4.72 1.04 4.77 -0.84 -4.95 117.00 112.13 2pkr n LEU 296 Ca 0.05 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 2pkr n LEU 296 Cb 0.15 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2pkr n LEU 296 CO 0.13 0.27 1.17 -0.89 -1.33 0.00 0.00 177.39 176.74 2pkr s THR 297 N -2.81 2.89 0.13 -5.08 2.01 -0.99 -4.71 115.64 107.07 2pkr s THR 297 Ca 0.13 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.80 2pkr s THR 297 Cb 0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2pkr s THR 297 CO 0.74 0.05 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.57 2pkr s MET 298 N 1.19 1.01 -0.05 4.92 -1.94 -0.66 -4.82 119.30 118.95 2pkr s MET 298 Ca 0.68 -1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 2pkr s MET 298 Cb -0.41 -0.65 0.03 0.00 2.01 0.00 0.00 34.83 35.81 2pkr s MET 298 CO 0.31 0.09 0.02 0.08 -0.01 0.00 0.00 175.02 175.51 2pkr s VAL 299 N -2.97 0.16 0.00 -6.03 1.01 -1.26 -0.86 120.40 110.46 2pkr s VAL 299 Ca 0.13 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.34 2pkr s VAL 299 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2pkr s VAL 299 CO 0.01 0.19 -0.08 -0.04 0.00 0.00 0.00 175.10 175.18 2pkr s MET 300 N 1.63 2.51 -0.95 2.72 -1.94 -0.25 -4.60 119.30 118.42 2pkr s MET 300 Ca -0.01 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 2pkr s MET 300 Cb -0.13 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.25 2pkr s MET 300 CO -0.03 0.60 0.00 0.41 -0.01 0.00 0.00 175.02 175.99 2pkr n GLY 301 N 1.64 -0.21 4.55 -0.03 0.00 -1.26 -1.46 105.19 108.42 2pkr n GLY 301 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.46 0.00 0.00 1.61 8.00 -1.26 -4.47 116.55 118.97 2pkr n ASP 302 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2pkr n ASP 302 Cb 0.55 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.08 1.06 -4.18 -2.24 5.68 -1.13 -0.31 116.55 115.51 2pkr n ASP 303 Ca 0.00 -1.39 -0.40 0.00 -0.50 0.00 0.00 54.79 52.50 2pkr n ASP 303 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 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 -0.39 2.52 -0.15 0.11 1.75 -0.54 -0.62 119.30 121.98 2pkr s MET 304 Ca 0.00 -1.99 -0.19 0.00 -1.25 0.00 0.00 55.69 52.26 2pkr s MET 304 Cb 0.00 -3.88 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 2pkr s MET 304 CO 0.00 -1.18 0.53 0.08 -0.65 0.00 0.00 175.02 173.80 2pkr s VAL 305 N 0.94 5.13 -0.18 10.11 1.01 0.45 -1.08 120.40 136.77 2pkr s VAL 305 Ca 0.09 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 2pkr s VAL 305 Cb -0.23 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2pkr s VAL 305 CO -0.03 0.25 -0.13 -0.75 0.00 0.00 0.00 175.10 174.44 2pkr s LYS 306 N 1.11 3.20 -0.09 2.72 2.20 -0.04 -1.22 119.74 127.62 2pkr s LYS 306 Ca 0.27 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2pkr s LYS 306 Cb -0.16 -2.74 -0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2pkr s LYS 306 CO 0.11 -0.12 -0.23 0.08 -0.36 0.00 0.00 175.35 174.82 2pkr s VAL 307 N 1.18 2.00 -0.21 4.02 1.01 0.20 -1.65 120.40 126.94 2pkr s VAL 307 Ca 0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2pkr s VAL 307 Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2pkr s VAL 307 CO -0.05 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 2pkr s ILE 308 N 0.25 3.76 -0.04 2.22 -1.09 -1.26 -1.77 121.20 123.26 2pkr s ILE 308 Ca -0.15 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2pkr s ILE 308 Cb -0.17 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 2pkr s ILE 308 CO 0.08 0.42 -0.11 0.00 -1.23 0.00 0.00 174.94 174.09 2pkr s ALA 309 N 1.25 1.06 0.30 9.38 0.00 -0.40 -0.59 121.76 132.77 2pkr s ALA 309 Ca 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 2pkr s ALA 309 Cb -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2pkr s ALA 309 CO 0.00 0.15 0.54 -1.58 0.00 0.00 0.00 175.76 174.87 2pkr s TRP 310 N 0.32 3.49 -0.28 0.00 0.52 0.25 -1.02 118.94 122.22 2pkr s TRP 310 Ca -0.06 0.54 -0.21 0.00 0.02 0.00 0.00 56.10 56.39 2pkr s TRP 310 Cb -0.11 -2.03 0.08 0.00 -1.15 0.00 0.00 33.47 30.26 2pkr s TRP 310 CO 0.01 0.17 0.75 1.52 0.02 0.00 0.00 176.95 179.42 2pkr s TYR 311 N -2.14 -0.87 -0.78 -1.98 1.13 -0.57 -1.23 117.35 110.91 2pkr s TYR 311 Ca 0.42 1.91 -0.23 0.00 -1.41 0.00 0.00 57.07 57.76 2pkr s TYR 311 Cb -0.10 0.44 0.06 0.00 -1.10 0.00 0.00 41.96 41.26 2pkr s TYR 311 CO 0.32 -0.43 1.16 0.34 -2.51 0.00 0.00 175.55 174.43 2pkr s ASP 312 N 0.97 6.28 0.62 -0.18 -1.08 -1.26 -0.54 116.67 121.49 2pkr s ASP 312 Ca -0.05 -1.05 0.33 0.00 -0.52 0.00 0.00 52.55 51.26 2pkr s ASP 312 Cb -0.05 -2.48 1.84 0.00 -1.46 0.00 0.00 42.92 40.77 2pkr s ASP 312 CO -0.10 -1.52 2.14 -0.55 0.52 0.00 0.00 175.17 175.66 2pkr h ASN 313 N 9.64 0.00 0.00 -0.34 -1.07 -1.92 0.69 115.58 122.58 2pkr h ASN 313 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.22 2pkr h ASN 313 Cb 1.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2pkr h ASN 313 CO 1.24 0.00 -0.54 -0.62 0.07 0.00 0.00 177.43 177.58 2pkr n GLU 314 N -3.47 0.41 -0.05 4.14 1.02 -1.26 -4.15 120.64 117.28 2pkr n GLU 314 Ca -0.00 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 2pkr n GLU 314 Cb 0.27 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.86 0.39 -0.72 -0.32 2.91 -1.92 -2.03 115.95 113.40 2pkr h TRP 315 Ca 0.00 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 59.86 2pkr h TRP 315 Cb 0.54 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 2pkr h TRP 315 CO -0.23 0.76 0.34 0.78 -1.03 0.00 0.00 178.44 179.06 2pkr h GLY 316 N -0.09 1.12 1.11 2.65 0.00 -0.99 -0.89 103.07 105.99 2pkr h GLY 316 Ca 0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 2pkr h GLY 316 CO 0.04 0.53 0.05 -1.82 0.00 0.00 0.00 176.54 175.34 2pkr h TYR 317 N 1.02 1.16 -0.33 5.60 3.20 -1.57 -2.38 116.97 123.66 2pkr h TYR 317 Ca 0.25 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2pkr h TYR 317 Cb 0.13 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2pkr h TYR 317 CO 0.01 0.99 -0.02 0.77 -1.64 0.00 0.00 178.16 178.28 2pkr h SER 318 N 0.99 0.49 -0.19 -2.11 0.02 -0.99 -0.61 113.55 111.15 2pkr h SER 318 Ca 0.19 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2pkr h SER 318 Cb 0.50 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2pkr h SER 318 CO 0.02 0.57 -0.05 1.56 -1.14 0.00 0.00 176.83 177.79 2pkr h GLN 319 N 0.50 0.51 -0.19 3.45 1.08 -0.67 -0.99 115.11 118.80 2pkr h GLN 319 Ca 0.11 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2pkr h GLN 319 Cb 0.35 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2pkr h GLN 319 CO 0.01 0.57 -0.48 0.00 -0.95 0.00 0.00 178.83 177.98 2pkr h ARG 320 N 0.48 0.51 -0.76 1.46 2.47 -0.92 -1.33 114.38 116.28 2pkr h ARG 320 Ca 0.10 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 2pkr h ARG 320 Cb 0.39 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 2pkr h ARG 320 CO 0.02 0.88 0.31 0.28 0.56 0.00 0.00 179.97 182.02 2pkr h VAL 321 N 0.40 1.25 -0.47 2.04 2.07 -0.30 0.46 116.25 121.71 2pkr h VAL 321 Ca 0.02 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2pkr h VAL 321 Cb 0.99 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2pkr h VAL 321 CO 0.09 0.32 0.15 0.58 0.02 0.00 0.00 177.57 178.74 2pkr h VAL 322 N 1.10 1.22 -0.85 2.57 2.07 -1.02 -1.19 116.25 120.15 2pkr h VAL 322 Ca 0.25 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2pkr h VAL 322 Cb 0.20 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2pkr h VAL 322 CO -0.02 0.27 0.56 0.44 0.02 0.00 0.00 177.57 178.83 2pkr h ASP 323 N 0.62 0.95 0.34 0.57 3.32 -0.68 0.17 116.42 121.72 2pkr h ASP 323 Ca 0.15 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2pkr h ASP 323 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pkr h ASP 323 CO -0.01 0.68 -0.52 0.25 -1.72 0.00 0.00 179.24 177.92 2pkr h LEU 324 N 1.12 0.22 -0.64 1.55 5.85 -0.72 -1.82 115.31 120.86 2pkr h LEU 324 Ca 0.32 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 2pkr h LEU 324 Cb -0.08 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2pkr h LEU 324 CO -0.09 0.70 -0.49 0.00 -0.34 0.00 0.00 178.44 178.22 2pkr h ALA 325 N 1.31 0.82 -0.27 1.25 0.00 -0.52 -1.79 119.26 120.07 2pkr h ALA 325 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2pkr h ALA 325 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2pkr h ALA 325 CO 0.08 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.46 2pkr h ASP 326 N 0.37 0.41 -0.31 0.00 3.32 -0.22 -1.72 116.42 118.27 2pkr h ASP 326 Ca 0.02 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 2pkr h ASP 326 Cb 1.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2pkr h ASP 326 CO 0.09 0.55 -0.45 0.40 -1.72 0.00 0.00 179.24 178.11 2pkr h ILE 327 N 0.41 1.28 -0.82 0.35 2.04 -0.91 -0.98 117.51 118.87 2pkr h ILE 327 Ca 0.08 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2pkr h ILE 327 Cb 0.42 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 2pkr h ILE 327 CO 0.02 0.54 0.53 0.58 0.00 0.00 0.00 178.15 179.82 2pkr h VAL 328 N 0.70 1.22 -0.48 1.67 2.07 -0.84 -1.47 116.25 119.12 2pkr h VAL 328 Ca 0.04 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.02 2pkr h VAL 328 Cb 1.04 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2pkr h VAL 328 CO 0.10 0.21 -0.20 0.00 0.02 0.00 0.00 177.57 177.71 2pkr h ALA 329 N 1.29 0.67 0.00 1.67 0.00 -1.14 -2.35 119.26 119.41 2pkr h ALA 329 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2pkr h ALA 329 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pkr h ALA 329 CO -0.06 0.65 -0.22 -0.91 0.00 0.00 0.00 179.25 178.71 2pkr h ASN 330 N 0.84 0.00 -0.52 0.00 -0.26 -0.72 -2.87 115.58 112.05 2pkr h ASN 330 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2pkr h ASN 330 Cb 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 2pkr h ASN 330 CO 0.06 0.22 0.00 0.29 -1.06 0.00 0.00 177.43 176.94 2pkr n LYS 331 N -3.51 2.81 -1.75 0.81 4.76 -0.59 -5.01 118.16 115.67 2pkr n LYS 331 Ca -0.01 -2.33 -0.39 0.00 -2.87 0.00 0.00 58.31 52.71 2pkr n LYS 331 Cb 0.38 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.20 2pkr n LYS 331 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2pkr n TRP 332 N 1.03 2.49 -0.02 2.13 -0.00 -0.89 -4.50 117.44 117.68 2pkr n TRP 332 Ca 0.17 0.43 -0.03 0.00 -0.00 0.00 0.00 57.50 58.07 2pkr n TRP 332 Cb 0.52 -2.40 -0.01 0.00 -0.00 0.00 0.00 31.31 29.41 2pkr n TRP 332 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2pkr n GLN 333 N -0.75 0.07 0.00 5.87 1.13 -1.26 -5.09 117.38 117.35 2pkr n GLN 333 Ca 0.09 0.03 0.15 0.00 -1.94 0.00 0.00 57.00 55.32 2pkr n GLN 333 Cb 0.44 -0.62 0.69 0.00 0.11 0.00 0.00 30.24 30.86 2pkr n GLN 333 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03