#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pke n THR 2 N 0.00 0.00 0.53 0.00 -2.24 -0.42 -4.97 114.28 107.19 1pke n THR 2 Ca 0.00 -1.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.00 1pke n THR 2 Cb 0.00 0.01 0.38 0.00 -2.10 0.00 0.00 70.33 68.62 1pke n THR 2 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pke n PRO 3 N -1.46 0.05 -0.00 -0.78 -0.04 -1.26 -3.47 135.00 128.03 1pke n PRO 3 Ca -0.05 0.26 0.01 0.00 -0.04 0.00 0.00 63.50 63.68 1pke n PRO 3 Cb 0.53 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1pke n PRO 3 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pke n HIS 4 N -1.68 0.00 -3.90 0.54 8.25 -1.26 -4.96 115.22 112.22 1pke n HIS 4 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1pke n HIS 4 Cb 0.21 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 1pke n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pke s ILE 5 N -2.12 1.36 -1.21 1.59 1.01 -1.23 -4.57 121.20 116.04 1pke s ILE 5 Ca -0.01 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 1pke s ILE 5 Cb 0.02 -1.70 0.18 0.00 0.01 0.00 0.00 42.46 40.97 1pke s ILE 5 CO 0.12 -0.17 1.50 -3.20 0.00 0.00 0.00 174.94 173.19 1pke n ASN 6 N 4.72 5.26 -3.49 3.58 5.15 -1.26 -1.30 115.26 127.93 1pke n ASN 6 Ca -0.10 -3.03 -0.11 0.00 -0.60 0.00 0.00 54.58 50.74 1pke n ASN 6 Cb 0.44 -1.52 -0.03 0.00 -0.53 0.00 0.00 39.78 38.13 1pke n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pke s ALA 7 N 0.91 0.10 0.37 5.20 0.00 -1.26 -4.68 121.76 122.40 1pke s ALA 7 Ca 0.41 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1pke s ALA 7 Cb -0.01 1.04 -0.06 0.00 0.00 0.00 0.00 23.12 24.09 1pke s ALA 7 CO -0.00 -0.85 -0.01 -1.21 0.00 0.00 0.00 175.76 173.69 1pke s GLU 8 N -3.31 1.97 0.03 0.00 0.41 -1.26 -0.85 118.70 115.69 1pke s GLU 8 Ca 0.25 -1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 52.58 1pke s GLU 8 Cb -0.01 -1.78 -0.08 0.00 -1.78 0.00 0.00 34.13 30.47 1pke s GLU 8 CO 0.14 0.06 1.89 1.41 -0.49 0.00 0.00 175.26 178.27 1pke s MET 9 N -3.70 4.15 0.00 1.61 0.00 -1.26 -1.42 119.30 118.68 1pke s MET 9 Ca 0.35 2.53 0.00 0.00 0.00 0.00 0.00 55.69 58.57 1pke s MET 9 Cb 0.04 -4.08 0.00 0.00 0.00 0.00 0.00 34.83 30.80 1pke s MET 9 CO 0.18 -0.92 0.00 0.41 0.00 0.00 0.00 175.02 174.69 1pke n GLY 10 N 4.43 2.24 0.26 2.11 0.00 -1.26 -4.95 105.19 108.02 1pke n GLY 10 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1pke n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pke h ASP 11 N 0.00 0.00 -3.69 1.61 3.32 -1.62 -3.44 116.42 112.61 1pke h ASP 11 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1pke h ASP 11 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 1pke h ASP 11 CO 0.00 0.00 -0.78 -0.36 -1.72 0.00 0.00 179.24 176.38 1pke s PHE 12 N -3.49 2.62 0.77 4.55 0.40 -1.26 -4.76 117.98 116.81 1pke s PHE 12 Ca 0.03 -0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1pke s PHE 12 Cb 0.07 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.29 1pke s PHE 12 CO 0.59 0.39 1.11 0.00 0.70 0.00 0.00 175.22 178.00 1pke s ALA 13 N -1.14 2.90 -2.01 5.36 0.00 -1.26 -4.95 121.76 120.66 1pke s ALA 13 Ca 0.19 -0.90 0.23 0.00 0.00 0.00 0.00 51.96 51.49 1pke s ALA 13 Cb -0.11 -2.72 1.38 0.00 0.00 0.00 0.00 23.12 21.68 1pke s ALA 13 CO 0.11 -1.56 1.89 -0.40 0.00 0.00 0.00 175.76 175.80 1pke n ASP 14 N -3.15 0.05 -3.90 0.00 5.68 -1.26 -4.60 116.55 109.38 1pke n ASP 14 Ca 0.09 -1.28 -0.24 0.00 -0.50 0.00 0.00 54.79 52.86 1pke n ASP 14 Cb 0.61 -0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.41 1pke n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1pke s VAL 15 N -2.00 0.78 -0.07 2.12 1.01 -1.26 -1.30 120.40 119.68 1pke s VAL 15 Ca 0.35 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1pke s VAL 15 Cb 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1pke s VAL 15 CO 0.27 0.31 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 1pke s VAL 16 N 1.36 1.29 -0.06 2.92 1.01 -0.62 -2.16 120.40 124.13 1pke s VAL 16 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1pke s VAL 16 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1pke s VAL 16 CO -0.03 0.39 0.31 -0.76 0.00 0.00 0.00 175.10 175.00 1pke s LEU 17 N 0.62 4.41 -0.18 3.92 1.43 -0.26 -1.69 118.68 126.93 1pke s LEU 17 Ca -0.15 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1pke s LEU 17 Cb -0.16 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.72 1pke s LEU 17 CO 0.04 0.31 0.04 -0.04 0.23 0.00 0.00 176.35 176.94 1pke s MET 18 N -0.81 0.59 0.61 1.70 -1.94 0.40 -1.72 119.30 118.13 1pke s MET 18 Ca 0.20 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.79 1pke s MET 18 Cb -0.15 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.72 1pke s MET 18 CO 0.09 -0.62 0.88 -1.25 -0.01 0.00 0.00 175.02 174.11 1pke s PRO 19 N 1.90 2.54 0.06 2.03 0.04 -1.25 -2.14 135.00 138.18 1pke s PRO 19 Ca -0.00 -0.40 -0.12 0.00 0.04 0.00 0.00 61.00 60.52 1pke s PRO 19 Cb -0.17 -2.33 -0.28 0.00 0.04 0.00 0.00 34.50 31.77 1pke s PRO 19 CO -0.08 -0.87 1.11 0.78 0.04 0.00 0.00 177.00 177.99 1pke h GLY 20 N -0.20 0.62 -5.90 0.56 0.00 -1.87 -2.18 103.07 94.10 1pke h GLY 20 Ca -0.44 -1.34 -0.59 0.00 0.00 0.00 0.00 47.33 44.96 1pke h GLY 20 CO 0.57 1.18 0.26 -0.35 0.00 0.00 0.00 176.54 178.20 1pke s ASP 21 N -7.38 6.76 0.55 0.19 -1.08 -1.26 -2.07 116.67 112.37 1pke s ASP 21 Ca -0.08 0.93 0.24 0.00 -0.52 0.00 0.00 52.55 53.12 1pke s ASP 21 Cb 0.06 -2.39 1.48 0.00 -1.46 0.00 0.00 42.92 40.62 1pke s ASP 21 CO 0.92 -0.37 2.09 1.55 0.52 0.00 0.00 175.17 179.89 1pke h PRO 22 N 7.57 0.00 0.00 4.34 0.13 -1.90 0.81 132.00 142.94 1pke h PRO 22 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1pke h PRO 22 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1pke h PRO 22 CO 0.81 0.00 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.21 1pke h LEU 23 N 0.00 0.00 -0.68 1.56 3.38 -1.92 -2.78 115.31 114.87 1pke h LEU 23 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1pke h LEU 23 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1pke h LEU 23 CO -0.00 0.30 -0.46 -0.09 0.09 0.00 0.00 178.44 178.28 1pke h ARG 24 N 0.00 0.00 -0.42 1.13 9.65 -1.24 -2.83 114.38 120.67 1pke h ARG 24 Ca -0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1pke h ARG 24 Cb 0.83 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 1pke h ARG 24 CO 0.04 0.46 -0.16 0.00 2.80 0.00 0.00 179.97 183.11 1pke h ALA 25 N 1.54 0.93 -0.35 2.80 0.00 -1.42 -1.65 119.26 121.10 1pke h ALA 25 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1pke h ALA 25 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pke h ALA 25 CO 0.06 0.62 -0.31 -0.22 0.00 0.00 0.00 179.25 179.40 1pke h LYS 26 N 0.70 0.75 -0.46 0.00 1.63 -1.57 -1.20 116.57 116.43 1pke h LYS 26 Ca 0.11 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.53 1pke h LYS 26 Cb 0.66 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1pke h LYS 26 CO 0.05 0.96 0.16 -0.92 -3.45 0.00 0.00 179.45 176.25 1pke h TYR 27 N 0.64 0.72 -0.31 1.91 5.03 -1.26 -1.22 116.97 122.48 1pke h TYR 27 Ca 0.07 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1pke h TYR 27 Cb 0.84 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1pke h TYR 27 CO 0.04 0.63 -0.05 0.82 -1.32 0.00 0.00 178.16 178.29 1pke h ILE 28 N 0.60 1.27 -0.13 1.81 2.04 -1.20 -1.02 117.51 120.88 1pke h ILE 28 Ca 0.15 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1pke h ILE 28 Cb 0.24 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1pke h ILE 28 CO -0.01 0.34 0.07 0.00 0.00 0.00 0.00 178.15 178.56 1pke h ALA 29 N 0.81 0.15 -0.32 1.87 0.00 -1.12 -0.56 119.26 120.09 1pke h ALA 29 Ca 0.08 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1pke h ALA 29 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1pke h ALA 29 CO 0.03 -0.37 -0.12 1.49 0.00 0.00 0.00 179.25 180.27 1pke h GLU 30 N 0.15 0.55 0.13 0.00 4.57 -1.20 -2.72 114.58 116.06 1pke h GLU 30 Ca 0.05 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 57.82 1pke h GLU 30 Cb -0.00 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1pke h GLU 30 CO -0.03 0.67 -1.19 1.15 -1.18 0.00 0.00 179.01 178.43 1pke h THR 31 N 0.51 1.21 0.00 0.32 2.02 -0.94 -3.43 112.91 112.59 1pke h THR 31 Ca 0.09 -2.45 -0.19 0.00 0.77 0.00 0.00 66.41 64.63 1pke h THR 31 Cb 0.52 2.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 1pke h THR 31 CO 0.03 0.70 -1.75 0.49 0.37 0.00 0.00 175.52 175.36 1pke n PHE 32 N -4.00 0.00 -3.12 3.16 3.01 -0.24 -5.02 117.46 111.25 1pke n PHE 32 Ca -0.21 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.87 1pke n PHE 32 Cb 0.87 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 1pke n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pke s LEU 33 N -4.73 4.47 -0.06 4.37 1.43 -1.02 -4.75 118.68 118.37 1pke s LEU 33 Ca -0.05 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1pke s LEU 33 Cb 0.04 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1pke s LEU 33 CO 0.47 0.15 0.06 -0.70 0.23 0.00 0.00 176.35 176.56 1pke s GLU 34 N -1.51 3.12 -1.36 1.70 2.12 0.12 -4.50 118.70 118.40 1pke s GLU 34 Ca 0.37 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.26 1pke s GLU 34 Cb -0.19 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.30 1pke s GLU 34 CO 0.22 0.70 1.09 -0.25 -0.54 0.00 0.00 175.26 176.48 1pke n ASP 35 N 1.75 -4.97 -4.79 -1.70 8.00 -1.26 -0.96 116.55 112.63 1pke n ASP 35 Ca -0.17 -0.62 -0.35 0.00 0.71 0.00 0.00 54.79 54.37 1pke n ASP 35 Cb 0.54 -4.78 -0.03 0.00 -0.02 0.00 0.00 41.12 36.83 1pke n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pke s ALA 36 N -3.35 2.89 -0.04 2.24 0.00 -1.26 -4.53 121.76 117.71 1pke s ALA 36 Ca 0.46 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 1pke s ALA 36 Cb -0.21 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1pke s ALA 36 CO 0.75 -0.39 0.13 -0.98 0.00 0.00 0.00 175.76 175.28 1pke s ARG 37 N -3.07 0.25 0.04 0.00 1.70 0.08 -4.95 118.95 113.00 1pke s ARG 37 Ca 0.66 0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 55.64 1pke s ARG 37 Cb -0.19 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 1pke s ARG 37 CO 0.23 -0.04 1.19 -2.00 -1.08 0.00 0.00 175.30 173.59 1pke s GLU 38 N -0.34 4.43 0.00 3.89 2.12 -1.26 -1.40 118.70 126.14 1pke s GLU 38 Ca -0.04 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.05 1pke s GLU 38 Cb -0.03 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.00 1pke s GLU 38 CO 0.00 -0.27 0.54 1.33 -0.54 0.00 0.00 175.26 176.33 1pke n VAL 39 N 4.01 0.00 -3.56 3.70 0.24 -0.65 -4.96 118.33 117.11 1pke n VAL 39 Ca 0.09 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1pke n VAL 39 Cb 0.47 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 1pke n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pke s ASN 40 N -0.37 -0.58 0.00 -1.34 3.04 -1.24 -4.39 114.94 110.06 1pke s ASN 40 Ca 0.03 0.77 0.00 0.00 0.04 0.00 0.00 52.86 53.70 1pke s ASN 40 Cb 0.02 0.66 0.00 0.00 -1.54 0.00 0.00 41.25 40.40 1pke s ASN 40 CO 0.05 -0.44 0.16 -3.20 -3.04 0.00 0.00 177.10 170.62 1pke n ASN 41 N 1.28 0.00 -4.71 -4.21 4.05 -1.26 -2.17 115.26 108.23 1pke n ASN 41 Ca -0.15 -1.00 -0.43 0.00 0.45 0.00 0.00 54.58 53.45 1pke n ASN 41 Cb 0.57 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.56 1pke n ASN 41 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1pke n VAL 42 N 0.00 1.17 -0.79 3.44 0.31 -1.26 -0.98 118.33 120.21 1pke n VAL 42 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1pke n VAL 42 Cb 0.40 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1pke n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pke n ARG 43 N 1.81 -1.63 -0.69 5.55 1.74 -1.26 -1.83 116.66 120.35 1pke n ARG 43 Ca 0.09 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1pke n ARG 43 Cb 0.35 -4.55 0.00 0.00 -1.02 0.00 0.00 32.46 27.23 1pke n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pke n GLY 44 N 0.41 0.71 3.40 -0.13 0.00 -0.15 -4.98 105.19 104.45 1pke n GLY 44 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1pke n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pke n MET 45 N -2.47 3.35 -1.68 1.61 0.00 -0.76 -4.89 117.12 112.27 1pke n MET 45 Ca 0.00 -3.66 -0.45 0.00 0.00 0.00 0.00 57.70 53.59 1pke n MET 45 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 33.22 30.06 1pke n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pke n LEU 46 N 6.02 3.19 -4.30 -0.89 4.77 -1.26 -4.43 117.00 120.10 1pke n LEU 46 Ca 0.40 1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 57.28 1pke n LEU 46 Cb 0.43 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 1pke n LEU 46 CO 0.68 -0.43 -0.52 -0.83 -1.33 0.00 0.00 177.39 174.96 1pke s GLY 47 N 0.34 1.28 0.04 -0.72 0.00 -0.92 -3.45 107.32 103.89 1pke s GLY 47 Ca 0.68 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 1pke s GLY 47 CO 0.49 -1.28 0.04 -1.36 0.00 0.00 0.00 173.10 170.99 1pke s PHE 48 N -1.16 0.29 -0.01 1.90 0.08 -0.48 -1.63 117.98 116.97 1pke s PHE 48 Ca 0.07 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 1pke s PHE 48 Cb -0.10 -0.22 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 1pke s PHE 48 CO 0.04 -0.33 0.02 0.99 -0.10 0.00 0.00 175.22 175.84 1pke s THR 49 N -2.69 -0.03 0.00 0.64 2.01 -0.49 -1.50 115.64 113.57 1pke s THR 49 Ca -0.04 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1pke s THR 49 Cb -0.01 -0.05 0.00 0.00 0.01 0.00 0.00 72.50 72.45 1pke s THR 49 CO -0.05 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1pke n GLY 50 N 3.71 3.28 3.07 4.40 0.00 -0.76 -0.75 105.19 118.15 1pke n GLY 50 Ca -0.21 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 1pke n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pke s THR 51 N -1.69 0.57 -0.23 2.61 -4.23 -0.13 -1.39 115.64 111.15 1pke s THR 51 Ca 0.00 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1pke s THR 51 Cb 0.00 -0.66 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1pke s THR 51 CO 0.00 -0.39 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.19 1pke s TYR 52 N -1.43 2.26 -1.37 3.99 6.14 0.10 0.15 117.35 127.19 1pke s TYR 52 Ca -0.09 -1.69 -0.07 0.00 0.64 0.00 0.00 57.07 55.86 1pke s TYR 52 Cb -0.10 -1.55 0.03 0.00 0.42 0.00 0.00 41.96 40.76 1pke s TYR 52 CO 0.00 -0.76 0.96 1.63 0.64 0.00 0.00 175.55 178.02 1pke n LYS 53 N 4.71 -6.18 -0.45 4.97 5.02 -1.26 -1.55 118.16 123.41 1pke n LYS 53 Ca -0.11 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1pke n LYS 53 Cb 0.44 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 1pke n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pke n GLY 54 N -1.65 2.04 3.74 0.72 0.00 -1.26 -5.01 105.19 103.78 1pke n GLY 54 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1pke n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pke s ARG 55 N -0.01 4.24 -0.10 1.61 3.00 -0.60 -5.03 118.95 122.06 1pke s ARG 55 Ca 0.00 0.33 -0.30 0.00 -1.00 0.00 0.00 55.73 54.76 1pke s ARG 55 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 34.95 31.53 1pke s ARG 55 CO 0.00 0.28 1.24 0.21 0.00 0.00 0.00 175.30 177.03 1pke s LYS 56 N 0.28 4.29 0.01 5.12 2.20 -1.26 0.02 119.74 130.41 1pke s LYS 56 Ca 0.22 1.68 -0.01 0.00 -0.36 0.00 0.00 55.97 57.51 1pke s LYS 56 Cb -0.15 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1pke s LYS 56 CO 0.09 -0.57 -0.01 0.42 -0.36 0.00 0.00 175.35 174.92 1pke s ILE 57 N 2.82 0.08 0.24 5.43 1.01 -0.48 -4.71 121.20 125.58 1pke s ILE 57 Ca 0.56 -0.65 0.12 0.00 0.00 0.00 0.00 60.65 60.67 1pke s ILE 57 Cb -0.24 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1pke s ILE 57 CO 0.19 -0.36 -0.21 -0.44 0.00 0.00 0.00 174.94 174.12 1pke s SER 58 N -1.07 3.58 -0.09 3.58 0.01 -0.92 -1.82 113.70 116.97 1pke s SER 58 Ca -0.12 -0.92 -0.04 0.00 1.31 0.00 0.00 55.95 56.18 1pke s SER 58 Cb -0.07 -0.32 0.05 0.00 0.21 0.00 0.00 66.02 65.89 1pke s SER 58 CO -0.01 0.08 0.20 0.54 0.41 0.00 0.00 173.24 174.46 1pke s VAL 59 N -2.09 -0.20 -0.06 3.43 0.11 -0.57 -1.10 120.40 119.93 1pke s VAL 59 Ca 0.26 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 1pke s VAL 59 Cb -0.07 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1pke s VAL 59 CO 0.13 0.10 0.26 -0.32 -3.33 0.00 0.00 175.10 171.94 1pke s MET 60 N 1.82 0.45 0.71 1.54 1.75 -0.70 -1.39 119.30 123.48 1pke s MET 60 Ca -0.03 0.08 -0.11 0.00 -1.25 0.00 0.00 55.69 54.37 1pke s MET 60 Cb -0.12 0.20 0.02 0.00 2.84 0.00 0.00 34.83 37.78 1pke s MET 60 CO -0.07 -0.09 1.07 0.20 -0.65 0.00 0.00 175.02 175.47 1pke s GLY 61 N -0.55 1.70 0.00 2.11 0.00 -1.22 -3.74 107.32 105.61 1pke s GLY 61 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1pke s GLY 61 CO 0.02 0.47 0.19 -2.39 0.00 0.00 0.00 173.10 171.39 1pke n HIS 62 N -3.16 0.00 0.00 1.90 1.44 -0.82 -4.93 115.22 109.65 1pke n HIS 62 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1pke n HIS 62 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1pke n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pke n GLY 63 N 0.36 -1.60 3.79 -1.39 0.00 -0.88 -3.16 105.19 102.31 1pke n GLY 63 Ca 0.00 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1pke n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pke s MET 64 N -1.55 4.03 0.00 1.61 1.00 -1.26 -4.63 119.30 118.49 1pke s MET 64 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 55.69 55.94 1pke s MET 64 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 34.83 31.52 1pke s MET 64 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.02 175.91 1pke n GLY 65 N 2.54 2.35 0.29 -0.03 0.00 -1.25 -4.52 105.19 104.57 1pke n GLY 65 Ca -0.13 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 1pke n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pke h ILE 66 N 0.00 1.24 -0.73 -0.61 2.04 -1.78 -2.49 117.51 115.18 1pke h ILE 66 Ca 0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1pke h ILE 66 Cb 0.00 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1pke h ILE 66 CO 0.00 0.29 0.48 -0.65 0.00 0.00 0.00 178.15 178.28 1pke h PRO 67 N 0.94 0.94 0.29 2.37 0.11 -1.91 -1.26 132.00 133.49 1pke h PRO 67 Ca 0.22 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1pke h PRO 67 Cb 0.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1pke h PRO 67 CO -0.02 0.62 -0.14 1.03 -0.21 0.00 0.00 178.00 179.29 1pke h SER 68 N 0.97 -0.33 0.65 -2.05 0.87 -1.74 -3.19 113.55 108.74 1pke h SER 68 Ca 0.27 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1pke h SER 68 Cb -0.09 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1pke h SER 68 CO -0.06 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.38 1pke h SER 70 N 0.00 0.04 0.05 0.00 0.02 -1.27 -2.30 113.55 110.08 1pke h SER 70 Ca 0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1pke h SER 70 Cb 0.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1pke h SER 70 CO 0.00 0.67 -0.02 0.40 -1.14 0.00 0.00 176.83 176.74 1pke h ILE 71 N 0.02 1.25 0.14 3.27 2.04 -1.39 -2.96 117.51 119.89 1pke h ILE 71 Ca -0.01 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1pke h ILE 71 Cb 1.14 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1pke h ILE 71 CO 0.09 0.26 -0.07 1.88 0.00 0.00 0.00 178.15 180.31 1pke h TYR 72 N -0.54 -0.18 -1.00 1.37 0.05 -1.57 -2.58 116.97 112.53 1pke h TYR 72 Ca -0.01 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1pke h TYR 72 Cb 0.48 0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.22 1pke h TYR 72 CO 0.08 0.09 0.65 1.79 -1.05 0.00 0.00 178.16 179.72 1pke h THR 73 N -0.44 1.17 0.08 -2.88 1.35 -1.56 -1.26 112.91 109.37 1pke h THR 73 Ca -0.02 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1pke h THR 73 Cb 0.35 -0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 1pke h THR 73 CO 0.03 0.23 -0.07 0.50 -0.25 0.00 0.00 175.52 175.96 1pke h LYS 74 N 1.26 -0.16 -0.64 4.72 3.11 -1.49 -1.62 116.57 121.75 1pke h LYS 74 Ca 0.40 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 58.20 1pke h LYS 74 Cb 0.00 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.24 1pke h LYS 74 CO -0.13 -0.11 0.21 0.93 -2.81 0.00 0.00 179.45 177.55 1pke h GLU 75 N -0.16 0.97 -0.32 1.90 5.08 -1.13 -1.72 114.58 119.19 1pke h GLU 75 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1pke h GLU 75 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pke h GLU 75 CO -0.02 0.82 0.17 -0.07 -1.00 0.00 0.00 179.01 178.91 1pke h LEU 76 N 0.94 0.41 -0.20 1.33 3.38 -1.01 0.13 115.31 120.29 1pke h LEU 76 Ca 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1pke h LEU 76 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1pke h LEU 76 CO -0.01 0.39 -0.00 0.40 0.09 0.00 0.00 178.44 179.31 1pke h ILE 77 N 0.39 1.26 0.00 1.22 2.04 -1.09 -1.69 117.51 119.63 1pke h ILE 77 Ca 0.11 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1pke h ILE 77 Cb 0.08 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1pke h ILE 77 CO -0.02 0.27 -0.92 0.71 0.00 0.00 0.00 178.15 178.19 1pke h THR 78 N 0.10 0.30 0.00 -0.27 1.35 -1.32 -3.34 112.91 109.74 1pke h THR 78 Ca 0.06 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1pke h THR 78 Cb 0.40 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1pke h THR 78 CO 0.01 0.17 -0.79 0.47 -0.25 0.00 0.00 175.52 175.13 1pke n ASP 79 N -2.89 2.25 -0.04 5.36 9.92 0.44 -4.73 116.55 126.86 1pke n ASP 79 Ca -0.02 -0.27 0.03 0.00 -0.53 0.00 0.00 54.79 53.99 1pke n ASP 79 Cb 0.67 1.13 0.04 0.00 -0.64 0.00 0.00 41.12 42.32 1pke n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pke n PHE 80 N -1.43 0.00 -1.63 1.24 3.01 -0.66 -4.70 117.46 113.30 1pke n PHE 80 Ca -0.00 -0.58 -0.17 0.00 1.01 0.00 0.00 57.45 57.71 1pke n PHE 80 Cb 0.11 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 1pke n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pke n GLY 81 N -0.70 1.38 3.72 1.37 0.00 -1.14 -4.71 105.19 105.11 1pke n GLY 81 Ca 0.04 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1pke n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pke s VAL 82 N -2.67 3.57 -0.22 1.61 1.01 -1.09 -4.75 120.40 117.87 1pke s VAL 82 Ca 0.00 1.19 0.10 0.00 0.00 0.00 0.00 61.98 63.27 1pke s VAL 82 Cb 0.00 -3.76 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 1pke s VAL 82 CO 0.00 0.13 -0.07 0.29 0.00 0.00 0.00 175.10 175.45 1pke n LYS 83 N 3.41 0.73 -4.72 2.72 4.76 -0.42 -4.50 118.16 120.14 1pke n LYS 83 Ca 0.08 0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.35 1pke n LYS 83 Cb 0.44 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.98 1pke n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pke s LYS 84 N -2.48 1.28 -0.07 1.97 1.02 -0.63 -1.79 119.74 119.04 1pke s LYS 84 Ca -0.21 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1pke s LYS 84 Cb 0.07 -1.23 0.02 0.00 -0.52 0.00 0.00 37.83 36.17 1pke s LYS 84 CO 0.69 0.32 -0.09 0.42 -0.92 0.00 0.00 175.35 175.78 1pke s ILE 85 N -0.32 0.91 -0.19 2.17 1.01 -0.59 -1.59 121.20 122.61 1pke s ILE 85 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1pke s ILE 85 Cb -0.06 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.55 1pke s ILE 85 CO -0.00 0.32 -0.13 -0.63 0.00 0.00 0.00 174.94 174.50 1pke s ILE 86 N 1.03 1.77 0.04 2.92 1.01 -0.68 -0.89 121.20 126.41 1pke s ILE 86 Ca -0.08 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 1pke s ILE 86 Cb -0.14 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 1pke s ILE 86 CO -0.00 0.26 0.67 -0.60 0.00 0.00 0.00 174.94 175.27 1pke s ARG 87 N 1.36 4.39 -0.32 2.79 3.52 0.10 -0.45 118.95 130.34 1pke s ARG 87 Ca 0.00 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 56.50 1pke s ARG 87 Cb -0.15 -3.33 0.10 0.00 -1.56 0.00 0.00 34.95 30.00 1pke s ARG 87 CO -0.09 0.39 0.07 0.14 -0.81 0.00 0.00 175.30 175.00 1pke s VAL 88 N -0.34 1.54 0.00 7.11 -7.23 -0.91 -0.96 120.40 119.60 1pke s VAL 88 Ca 0.34 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1pke s VAL 88 Cb -0.20 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1pke s VAL 88 CO 0.20 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1pke n GLY 89 N 4.57 5.50 3.55 2.32 0.00 -0.44 -4.26 105.19 116.44 1pke n GLY 89 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 1pke n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pke s SER 90 N 1.00 3.46 0.14 1.61 1.04 -1.26 -1.80 113.70 117.90 1pke s SER 90 Ca 0.00 -1.31 -0.24 0.00 0.48 0.00 0.00 55.95 54.88 1pke s SER 90 Cb 0.00 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.88 1pke s SER 90 CO 0.00 -0.40 0.73 0.00 0.98 0.00 0.00 173.24 174.55 1pke s GLY 92 N -2.74 2.14 0.03 0.00 0.00 -0.71 -1.45 107.32 104.59 1pke s GLY 92 Ca 0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 1pke s GLY 92 CO -0.06 -0.59 0.26 0.00 0.00 0.00 0.00 173.10 172.70 1pke s ALA 93 N -1.21 3.88 -0.02 3.20 0.00 0.11 -0.99 121.76 126.73 1pke s ALA 93 Ca 0.23 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1pke s ALA 93 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1pke s ALA 93 CO 0.14 0.69 0.03 1.33 0.00 0.00 0.00 175.76 177.95 1pke n VAL 94 N 0.88 0.10 -2.78 0.00 0.24 -1.26 -1.31 118.33 114.20 1pke n VAL 94 Ca -0.09 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 1pke n VAL 94 Cb 0.52 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 1pke n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pke s LEU 95 N -3.78 4.40 0.30 1.34 1.43 -1.26 -4.69 118.68 116.42 1pke s LEU 95 Ca -0.01 1.61 0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1pke s LEU 95 Cb 0.01 -3.48 0.80 0.00 0.03 0.00 0.00 46.19 43.55 1pke s LEU 95 CO 0.10 -0.18 1.73 -0.65 0.23 0.00 0.00 176.35 177.58 1pke h PRO 96 N 6.44 0.53 -0.01 1.29 0.11 -1.95 -1.75 132.00 136.66 1pke h PRO 96 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pke h PRO 96 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pke h PRO 96 CO 0.74 0.35 -0.12 0.72 -0.21 0.00 0.00 178.00 179.48 1pke n HIS 97 N -4.92 0.00 -3.02 0.65 8.25 -1.26 -4.75 115.22 110.17 1pke n HIS 97 Ca 0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 1pke n HIS 97 Cb 0.68 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 1pke n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pke s VAL 98 N -2.25 4.84 0.25 1.59 1.01 -0.66 -5.04 120.40 120.15 1pke s VAL 98 Ca 0.32 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1pke s VAL 98 Cb 0.20 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1pke s VAL 98 CO 0.42 -0.26 0.22 -0.54 0.00 0.00 0.00 175.10 174.95 1pke s LYS 99 N 2.84 2.99 0.56 2.72 -0.14 -1.26 -4.83 119.74 122.62 1pke s LYS 99 Ca 0.29 -1.02 -0.19 0.00 -1.36 0.00 0.00 55.97 53.68 1pke s LYS 99 Cb -0.14 -2.61 -0.07 0.00 -1.68 0.00 0.00 37.83 33.33 1pke s LYS 99 CO 0.13 0.39 0.82 1.28 -0.76 0.00 0.00 175.35 177.21 1pke n LEU 100 N -1.22 2.48 -1.22 3.17 4.77 -1.26 -2.43 117.00 121.29 1pke n LEU 100 Ca -0.08 0.82 -0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1pke n LEU 100 Cb 0.58 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 1pke n LEU 100 CO 0.43 -2.22 -0.14 0.54 -1.33 0.00 0.00 177.39 174.66 1pke n ARG 101 N -0.49 -0.98 -3.43 3.23 1.74 -0.68 -4.95 116.66 111.10 1pke n ARG 101 Ca 0.12 0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 57.67 1pke n ARG 101 Cb 0.46 -4.98 -0.06 0.00 -1.02 0.00 0.00 32.46 26.86 1pke n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pke s ASP 102 N -2.68 6.89 -0.24 0.55 -0.00 -1.02 -4.81 116.67 115.37 1pke s ASP 102 Ca 0.00 1.06 -0.17 0.00 -0.00 0.00 0.00 52.55 53.44 1pke s ASP 102 Cb 0.00 -2.29 -0.03 0.00 -0.00 0.00 0.00 42.92 40.60 1pke s ASP 102 CO 0.00 0.30 0.48 -0.69 -0.00 0.00 0.00 175.17 175.26 1pke s VAL 103 N -1.10 5.11 -0.08 -1.27 1.01 -1.26 -1.33 120.40 121.48 1pke s VAL 103 Ca 0.26 0.82 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1pke s VAL 103 Cb -0.18 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1pke s VAL 103 CO 0.15 0.15 -0.08 -0.69 0.00 0.00 0.00 175.10 174.63 1pke s VAL 104 N 1.95 3.58 -0.17 2.92 1.01 0.64 -1.68 120.40 128.64 1pke s VAL 104 Ca 0.21 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1pke s VAL 104 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1pke s VAL 104 CO 0.09 0.58 -0.15 -0.63 0.00 0.00 0.00 175.10 174.99 1pke s ILE 105 N -0.56 2.63 -1.06 2.22 1.01 0.26 -1.18 121.20 124.52 1pke s ILE 105 Ca 0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1pke s ILE 105 Cb -0.12 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.34 1pke s ILE 105 CO 0.02 0.51 1.35 -0.83 0.00 0.00 0.00 174.94 175.98 1pke s GLY 106 N 1.02 1.86 0.31 6.18 0.00 -0.46 -2.04 107.32 114.19 1pke s GLY 106 Ca -0.01 -2.82 0.03 0.00 0.00 0.00 0.00 44.72 41.92 1pke s GLY 106 CO -0.03 2.26 1.79 1.98 0.00 0.00 0.00 173.10 179.10 1pke h MET 107 N 8.49 0.50 -4.74 2.90 4.05 -1.61 -3.40 114.93 121.11 1pke h MET 107 Ca 0.24 -0.15 -0.29 0.00 -0.28 0.00 0.00 59.70 59.23 1pke h MET 107 Cb 0.97 -0.05 -0.15 0.00 -0.80 0.00 0.00 31.60 31.57 1pke h MET 107 CO 1.26 0.63 -0.63 0.20 0.23 0.00 0.00 176.91 178.59 1pke s GLY 108 N -3.94 1.46 -0.21 1.39 0.00 -1.07 -1.65 107.32 103.30 1pke s GLY 108 Ca -0.07 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1pke s GLY 108 CO 0.78 -1.51 0.41 0.00 0.00 0.00 0.00 173.10 172.78 1pke s ALA 109 N -3.86 -1.15 0.69 3.20 0.00 -0.94 -1.91 121.76 117.79 1pke s ALA 109 Ca 0.33 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1pke s ALA 109 Cb 0.07 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.79 1pke s ALA 109 CO 0.10 -0.92 1.03 0.00 0.00 0.00 0.00 175.76 175.97 1pke s THR 111 N -3.26 0.00 -1.71 0.00 -1.32 -1.26 -0.55 115.64 107.55 1pke s THR 111 Ca 0.58 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.24 1pke s THR 111 Cb -0.11 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.28 1pke s THR 111 CO 0.47 0.00 1.32 -0.90 -2.21 0.00 0.00 174.62 173.30 1pke n ASP 112 N 0.22 3.22 -4.89 8.08 3.85 -1.22 -4.97 116.55 120.84 1pke n ASP 112 Ca -0.14 -1.93 -0.30 0.00 -0.71 0.00 0.00 54.79 51.72 1pke n ASP 112 Cb 0.61 -0.27 0.02 0.00 -1.35 0.00 0.00 41.12 40.12 1pke n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pke s SER 113 N -1.14 6.05 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.49 1pke s SER 113 Ca 0.33 1.18 0.14 0.00 0.70 0.00 0.00 55.95 58.30 1pke s SER 113 Cb 0.18 -2.25 0.18 0.00 -1.71 0.00 0.00 66.02 62.42 1pke s SER 113 CO 0.25 -0.89 1.04 1.17 1.20 0.00 0.00 173.24 176.00 1pke n LYS 114 N -2.65 1.42 -0.08 5.44 4.81 -1.26 -4.69 118.16 121.15 1pke n LYS 114 Ca 0.05 -1.55 0.01 0.00 -0.87 0.00 0.00 58.31 55.95 1pke n LYS 114 Cb 0.55 -1.28 0.32 0.00 0.02 0.00 0.00 35.03 34.64 1pke n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pke h VAL 115 N 2.67 1.16 0.00 3.15 -1.51 -2.00 -2.45 116.25 117.27 1pke h VAL 115 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1pke h VAL 115 Cb 0.63 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1pke h VAL 115 CO 0.00 0.18 0.00 0.78 -1.23 0.00 0.00 177.57 177.30 1pke h ASN 116 N 0.72 0.00 0.84 4.19 2.35 -1.95 -2.83 115.58 118.91 1pke h ASN 116 Ca 0.18 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 1pke h ASN 116 Cb 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1pke h ASN 116 CO -0.03 0.00 -1.19 0.03 -1.65 0.00 0.00 177.43 174.59 1pke h ARG 117 N 0.00 0.03 -0.27 0.81 3.08 -1.71 -0.90 114.38 115.41 1pke h ARG 117 Ca 0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1pke h ARG 117 Cb 0.81 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1pke h ARG 117 CO 0.00 0.91 -0.26 0.82 -1.07 0.00 0.00 179.97 180.37 1pke h ILE 118 N 0.01 1.27 0.09 2.04 2.04 -1.38 0.30 117.51 121.87 1pke h ILE 118 Ca -0.09 -1.31 -0.28 0.00 1.00 0.00 0.00 64.86 64.18 1pke h ILE 118 Cb 1.85 1.35 0.03 0.00 -0.74 0.00 0.00 36.82 39.30 1pke h ILE 118 CO 0.12 0.42 -1.15 0.03 0.00 0.00 0.00 178.15 177.58 1pke h ARG 119 N 0.47 0.63 -1.03 2.37 3.08 -1.47 -3.37 114.38 115.05 1pke h ARG 119 Ca 0.07 -0.79 -0.48 0.00 0.07 0.00 0.00 59.98 58.85 1pke h ARG 119 Cb 0.71 0.25 -0.26 0.00 0.08 0.00 0.00 29.97 30.75 1pke h ARG 119 CO 0.05 1.35 0.61 0.34 -1.07 0.00 0.00 179.97 181.25 1pke n PHE 120 N -3.85 2.67 -2.64 3.04 7.35 -0.35 -4.91 117.46 118.77 1pke n PHE 120 Ca -0.13 -1.91 -0.21 0.00 -0.76 0.00 0.00 57.45 54.44 1pke n PHE 120 Cb 0.94 -0.96 0.01 0.00 0.35 0.00 0.00 39.48 39.82 1pke n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pke n LYS 121 N -0.83 -2.90 -1.12 -4.13 5.02 -1.14 -2.45 118.16 110.61 1pke n LYS 121 Ca 0.52 0.96 -0.04 0.00 -2.02 0.00 0.00 58.31 57.73 1pke n LYS 121 Cb 1.30 -5.70 -0.02 0.00 -0.02 0.00 0.00 35.03 30.59 1pke n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pke n ASP 122 N -2.20 -3.94 -1.87 4.39 4.64 0.10 -5.03 116.55 112.65 1pke n ASP 122 Ca -0.19 0.10 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 1pke n ASP 122 Cb 0.66 -1.80 0.00 0.00 -1.04 0.00 0.00 41.12 38.94 1pke n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pke n HIS 123 N -2.73 -2.34 -3.30 -0.67 8.25 -1.02 -5.02 115.22 108.39 1pke n HIS 123 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1pke n HIS 123 Cb 0.21 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 1pke n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pke s ASP 124 N -0.98 6.20 -0.33 0.41 -0.00 -1.26 -4.62 116.67 116.10 1pke s ASP 124 Ca 0.00 -0.68 -0.12 0.00 -0.00 0.00 0.00 52.55 51.76 1pke s ASP 124 Cb 0.00 -2.23 -0.02 0.00 -0.00 0.00 0.00 42.92 40.67 1pke s ASP 124 CO 0.00 -0.60 0.21 0.12 -0.00 0.00 0.00 175.17 174.89 1pke s PHE 125 N 2.18 3.21 -0.39 4.23 5.36 -1.26 -5.04 117.98 126.28 1pke s PHE 125 Ca 0.13 -0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 55.52 1pke s PHE 125 Cb -0.17 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1pke s PHE 125 CO 0.14 -0.37 1.46 0.00 -1.46 0.00 0.00 175.22 174.99 1pke s ALA 126 N 1.69 3.06 -0.60 11.12 0.00 -1.26 -4.94 121.76 130.82 1pke s ALA 126 Ca 0.06 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 1pke s ALA 126 Cb -0.17 -3.94 0.02 0.00 0.00 0.00 0.00 23.12 19.03 1pke s ALA 126 CO 0.09 -2.36 1.36 0.00 0.00 0.00 0.00 175.76 174.85 1pke s ALA 127 N 5.53 2.81 0.24 0.00 0.00 -1.26 -4.99 121.76 124.08 1pke s ALA 127 Ca 0.64 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.85 1pke s ALA 127 Cb -0.15 -4.13 -0.05 0.00 0.00 0.00 0.00 23.12 18.79 1pke s ALA 127 CO 0.32 -2.99 -0.18 0.96 0.00 0.00 0.00 175.76 173.87 1pke s ILE 128 N 5.88 2.16 0.83 0.00 -4.36 -1.26 -2.21 121.20 122.24 1pke s ILE 128 Ca 0.47 -2.28 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 1pke s ILE 128 Cb -0.10 -2.16 0.14 0.00 1.25 0.00 0.00 42.46 41.59 1pke s ILE 128 CO 0.23 -0.45 1.17 0.00 0.24 0.00 0.00 174.94 176.13 1pke s ALA 129 N -2.59 2.80 -0.23 2.27 0.00 -0.66 -4.88 121.76 118.48 1pke s ALA 129 Ca 0.26 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1pke s ALA 129 Cb -0.04 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 1pke s ALA 129 CO 0.11 -1.88 0.86 0.34 0.00 0.00 0.00 175.76 175.19 1pke s ASP 130 N -4.73 6.89 0.17 0.00 -1.08 -1.07 -4.97 116.67 111.88 1pke s ASP 130 Ca 0.68 1.11 -0.28 0.00 -0.52 0.00 0.00 52.55 53.54 1pke s ASP 130 Cb -0.07 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1pke s ASP 130 CO 0.49 -0.51 1.55 0.15 0.52 0.00 0.00 175.17 177.37 1pke h PHE 131 N 7.58 -1.52 -0.91 -5.34 3.57 -1.95 -1.22 116.94 117.15 1pke h PHE 131 Ca -0.24 0.10 0.15 0.00 3.53 0.00 0.00 57.97 61.51 1pke h PHE 131 Cb 1.10 0.76 -0.10 0.00 2.79 0.00 0.00 35.95 40.50 1pke h PHE 131 CO 0.75 -0.42 0.51 -0.44 -2.23 0.00 0.00 178.31 176.48 1pke h ASP 132 N -0.17 0.66 -0.45 0.41 3.45 -1.98 0.36 116.42 118.70 1pke h ASP 132 Ca 0.17 0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.63 1pke h ASP 132 Cb 0.53 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1pke h ASP 132 CO -0.78 0.28 -0.03 0.24 -1.57 0.00 0.00 179.24 177.38 1pke h MET 133 N 0.72 0.88 -0.32 3.56 2.86 -1.63 0.15 114.93 121.15 1pke h MET 133 Ca 0.50 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1pke h MET 133 Cb 0.69 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1pke h MET 133 CO -0.35 0.90 0.11 0.28 1.06 0.00 0.00 176.91 178.91 1pke h VAL 134 N 0.81 1.20 -0.48 -2.22 2.07 -0.49 -1.99 116.25 115.15 1pke h VAL 134 Ca 0.15 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1pke h VAL 134 Cb 0.53 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1pke h VAL 134 CO 0.03 0.21 0.31 -0.09 0.02 0.00 0.00 177.57 178.05 1pke h ARG 135 N 0.37 0.60 -0.26 1.57 2.43 -0.59 -1.27 114.38 117.24 1pke h ARG 135 Ca 0.11 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1pke h ARG 135 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1pke h ARG 135 CO -0.01 0.40 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.90 1pke h ASN 136 N 0.62 0.38 -0.22 -3.80 2.35 -0.56 -1.95 115.58 112.41 1pke h ASN 136 Ca 0.18 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1pke h ASN 136 Cb -0.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1pke h ASN 136 CO -0.05 0.48 -0.57 0.00 -1.65 0.00 0.00 177.43 175.64 1pke h ALA 137 N 1.57 0.37 -0.62 -0.83 0.00 -0.84 -1.33 119.26 117.57 1pke h ALA 137 Ca 0.08 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1pke h ALA 137 Cb 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1pke h ALA 137 CO 0.01 0.59 0.22 0.28 0.00 0.00 0.00 179.25 180.36 1pke h VAL 138 N 0.51 1.24 -0.11 0.00 2.07 -1.01 -0.92 116.25 118.03 1pke h VAL 138 Ca -0.01 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 1pke h VAL 138 Cb 1.18 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1pke h VAL 138 CO 0.12 0.30 -0.49 0.44 0.02 0.00 0.00 177.57 177.97 1pke h ASP 139 N 0.87 0.30 -0.24 0.57 3.45 -1.35 -2.50 116.42 117.53 1pke h ASP 139 Ca 0.20 -0.15 -0.15 0.00 0.43 0.00 0.00 57.03 57.37 1pke h ASP 139 Cb 0.25 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1pke h ASP 139 CO -0.01 0.74 -0.44 0.00 -1.57 0.00 0.00 179.24 177.96 1pke h ALA 140 N 1.27 0.37 -0.82 3.45 0.00 -0.95 -2.69 119.26 119.89 1pke h ALA 140 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1pke h ALA 140 Cb 0.94 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1pke h ALA 140 CO 0.08 0.50 0.54 0.00 0.00 0.00 0.00 179.25 180.36 1pke h ALA 141 N 0.63 1.04 -0.76 0.00 0.00 -1.11 -2.57 119.26 116.49 1pke h ALA 141 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1pke h ALA 141 Cb 1.04 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1pke h ALA 141 CO 0.10 0.46 0.33 -0.22 0.00 0.00 0.00 179.25 179.92 1pke h LYS 142 N 1.11 1.12 0.00 0.00 3.64 -1.39 -0.58 116.57 120.48 1pke h LYS 142 Ca 0.30 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pke h LYS 142 Cb -0.11 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1pke h LYS 142 CO -0.06 0.90 0.00 0.00 -2.27 0.00 0.00 179.45 178.02 1pke h ALA 143 N 1.17 1.00 -0.29 5.00 0.00 -1.12 -1.21 119.26 123.81 1pke h ALA 143 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pke h ALA 143 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pke h ALA 143 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1pke n LEU 144 N -2.86 3.16 -0.71 0.00 4.77 -0.82 -4.95 117.00 115.59 1pke n LEU 144 Ca -0.01 -1.42 -0.09 0.00 -0.03 0.00 0.00 56.01 54.46 1pke n LEU 144 Cb 0.17 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1pke n LEU 144 CO 0.21 0.67 -0.09 0.61 -1.33 0.00 0.00 177.39 177.46 1pke n GLY 145 N 1.27 0.88 3.84 -0.72 0.00 -0.46 -5.01 105.19 105.00 1pke n GLY 145 Ca 0.16 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1pke n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pke s ILE 146 N -2.34 5.17 0.18 -0.61 1.01 -0.29 -5.01 121.20 119.31 1pke s ILE 146 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 1pke s ILE 146 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1pke s ILE 146 CO 0.00 0.45 0.61 -1.81 0.00 0.00 0.00 174.94 174.18 1pke s ASP 147 N -1.52 6.86 -0.13 3.58 1.01 -1.26 -4.04 116.67 121.17 1pke s ASP 147 Ca 0.21 1.16 -0.07 0.00 0.71 0.00 0.00 52.55 54.56 1pke s ASP 147 Cb -0.12 -2.32 0.05 0.00 1.01 0.00 0.00 42.92 41.54 1pke s ASP 147 CO 0.12 0.05 0.31 0.00 0.21 0.00 0.00 175.17 175.86 1pke s ALA 148 N -1.54 -0.76 0.04 5.23 0.00 -1.26 -4.29 121.76 119.19 1pke s ALA 148 Ca 0.41 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 1pke s ALA 148 Cb -0.15 -0.75 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1pke s ALA 148 CO 0.20 -0.22 0.39 1.03 0.00 0.00 0.00 175.76 177.16 1pke s ARG 149 N 1.28 3.81 -0.13 0.00 0.52 -0.67 -4.97 118.95 118.78 1pke s ARG 149 Ca -0.09 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 1pke s ARG 149 Cb -0.09 -3.09 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1pke s ARG 149 CO -0.10 0.62 -0.21 0.08 0.02 0.00 0.00 175.30 175.71 1pke s VAL 150 N -1.26 1.97 0.00 3.52 1.01 -1.26 -0.57 120.40 123.80 1pke s VAL 150 Ca 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1pke s VAL 150 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1pke s VAL 150 CO 0.16 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1pke n GLY 151 N 4.01 1.00 3.83 4.51 0.00 -0.87 -4.95 105.19 112.73 1pke n GLY 151 Ca -0.20 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1pke n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pke s ASN 152 N 2.00 6.91 0.37 1.61 0.01 -1.26 -1.56 114.94 123.01 1pke s ASN 152 Ca 0.00 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.34 1pke s ASN 152 Cb 0.00 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 1pke s ASN 152 CO 0.00 0.23 0.12 -0.76 -1.51 0.00 0.00 177.10 175.18 1pke s LEU 153 N -1.39 3.11 -0.11 0.60 1.43 -0.80 -0.14 118.68 121.38 1pke s LEU 153 Ca 0.30 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1pke s LEU 153 Cb -0.17 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1pke s LEU 153 CO 0.17 -0.39 -0.11 0.12 0.23 0.00 0.00 176.35 176.37 1pke s PHE 154 N -2.54 1.68 -0.51 0.29 5.36 0.07 -0.67 117.98 121.67 1pke s PHE 154 Ca 0.38 -0.82 -0.18 0.00 -0.96 0.00 0.00 56.93 55.36 1pke s PHE 154 Cb 0.01 -1.30 0.07 0.00 -0.34 0.00 0.00 43.02 41.47 1pke s PHE 154 CO 0.21 -0.49 0.55 -1.12 -1.46 0.00 0.00 175.22 172.92 1pke s SER 155 N 1.35 6.19 0.21 6.13 0.01 0.29 -0.73 113.70 127.15 1pke s SER 155 Ca -0.01 -1.18 -0.17 0.00 1.31 0.00 0.00 55.95 55.90 1pke s SER 155 Cb -0.14 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1pke s SER 155 CO -0.05 -0.84 0.67 0.00 0.41 0.00 0.00 173.24 173.43 1pke s ALA 156 N 2.24 3.45 -0.11 1.44 0.00 0.25 -3.41 121.76 125.63 1pke s ALA 156 Ca 0.10 0.06 0.16 0.00 0.00 0.00 0.00 51.96 52.28 1pke s ALA 156 Cb -0.22 -2.72 -0.14 0.00 0.00 0.00 0.00 23.12 20.03 1pke s ALA 156 CO 0.09 0.37 0.82 -0.44 0.00 0.00 0.00 175.76 176.60 1pke h ASP 157 N 3.30 0.00 -3.78 0.00 5.19 -1.90 -3.42 116.42 115.81 1pke h ASP 157 Ca -0.48 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.28 1pke h ASP 157 Cb 1.19 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.33 1pke h ASP 157 CO 0.65 0.63 -0.79 -0.76 -3.12 0.00 0.00 179.24 175.85 1pke s LEU 158 N -5.85 3.13 0.16 1.55 1.43 -1.26 -4.99 118.68 112.85 1pke s LEU 158 Ca -0.03 -1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 51.59 1pke s LEU 158 Cb 0.09 -1.41 0.07 0.00 0.03 0.00 0.00 46.19 44.96 1pke s LEU 158 CO 0.81 -0.21 1.76 0.15 0.23 0.00 0.00 176.35 179.09 1pke h PHE 159 N 7.84 0.26 -3.15 0.29 3.04 -1.98 -3.27 116.94 119.97 1pke h PHE 159 Ca -0.19 0.02 -0.74 0.00 3.98 0.00 0.00 57.97 61.05 1pke h PHE 159 Cb 1.05 -0.06 -0.22 0.00 2.56 0.00 0.00 35.95 39.28 1pke h PHE 159 CO 0.59 0.11 0.24 0.71 -2.02 0.00 0.00 178.31 177.94 1pke s TYR 160 N -6.15 3.33 0.28 0.41 2.02 -1.26 -5.04 117.35 110.93 1pke s TYR 160 Ca -0.13 -1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 54.80 1pke s TYR 160 Cb 0.12 -3.98 -0.10 0.00 -0.40 0.00 0.00 41.96 37.60 1pke s TYR 160 CO 0.71 -1.20 1.26 0.45 -1.57 0.00 0.00 175.55 175.20 1pke s SER 161 N 3.08 6.93 0.25 2.29 0.15 -1.24 -4.94 113.70 120.23 1pke s SER 161 Ca 0.18 2.49 -0.03 0.00 0.70 0.00 0.00 55.95 59.30 1pke s SER 161 Cb -0.15 -2.63 0.29 0.00 -1.71 0.00 0.00 66.02 61.82 1pke s SER 161 CO -0.03 -0.44 1.72 -0.65 1.20 0.00 0.00 173.24 175.04 1pke h PRO 162 N 4.12 0.78 -4.38 5.44 0.11 -1.96 -3.41 132.00 132.70 1pke h PRO 162 Ca -0.47 -0.24 -0.57 0.00 0.11 0.00 0.00 66.00 64.83 1pke h PRO 162 Cb 1.22 -0.07 -0.37 0.00 0.11 0.00 0.00 31.00 31.89 1pke h PRO 162 CO 0.70 0.83 -0.81 0.16 -0.21 0.00 0.00 178.00 178.67 1pke s ASP 163 N -6.68 2.63 0.00 -2.05 -4.77 -1.26 -5.00 116.67 99.54 1pke s ASP 163 Ca -0.09 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 1pke s ASP 163 Cb 0.14 -1.00 0.00 0.00 -1.09 0.00 0.00 42.92 40.97 1pke s ASP 163 CO 0.82 -0.12 1.13 0.61 0.70 0.00 0.00 175.17 178.30 1pke n GLY 164 N 4.85 1.81 0.13 2.12 0.00 -1.26 -4.00 105.19 108.83 1pke n GLY 164 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1pke n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pke h GLU 165 N 0.87 0.36 0.00 1.61 4.39 -1.97 -3.34 114.58 116.50 1pke h GLU 165 Ca 0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1pke h GLU 165 Cb 0.81 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1pke h GLU 165 CO 0.00 1.24 0.00 0.52 -1.16 0.00 0.00 179.01 179.61 1pke h MET 166 N 0.13 0.00 -0.56 2.33 2.86 -2.01 -3.10 114.93 114.59 1pke h MET 166 Ca -0.14 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1pke h MET 166 Cb 1.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.56 1pke h MET 166 CO 0.21 0.00 -0.01 0.74 1.06 0.00 0.00 176.91 178.91 1pke h PHE 167 N 0.00 1.09 -0.42 -0.22 0.05 -1.89 0.21 116.94 115.76 1pke h PHE 167 Ca 0.00 -0.19 -0.13 0.00 3.82 0.00 0.00 57.97 61.47 1pke h PHE 167 Cb 0.32 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 1pke h PHE 167 CO 0.00 0.98 -0.26 -0.44 -0.18 0.00 0.00 178.31 178.41 1pke h ASP 168 N 0.88 0.91 -0.30 2.17 3.45 -1.77 -2.00 116.42 119.75 1pke h ASP 168 Ca 0.16 -0.35 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 1pke h ASP 168 Cb 0.56 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1pke h ASP 168 CO 0.03 1.11 -0.05 0.58 -1.57 0.00 0.00 179.24 179.35 1pke h VAL 169 N 0.75 1.27 -0.61 -1.35 2.07 -1.52 -1.22 116.25 115.64 1pke h VAL 169 Ca 0.09 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1pke h VAL 169 Cb 0.81 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1pke h VAL 169 CO 0.07 0.34 0.40 0.24 0.02 0.00 0.00 177.57 178.64 1pke h MET 170 N 0.34 0.79 -0.67 1.57 2.86 -0.53 -2.32 114.93 116.97 1pke h MET 170 Ca 0.08 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1pke h MET 170 Cb 0.52 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1pke h MET 170 CO 0.02 0.52 0.21 1.49 1.06 0.00 0.00 176.91 180.22 1pke h GLU 171 N 0.82 1.03 0.00 1.72 4.81 -1.29 -1.85 114.58 119.82 1pke h GLU 171 Ca 0.22 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1pke h GLU 171 Cb -0.09 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1pke h GLU 171 CO -0.05 0.90 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.80 1pke h LYS 172 N 0.97 0.00 -0.58 1.92 3.64 -0.84 -2.64 116.57 119.05 1pke h LYS 172 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1pke h LYS 172 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1pke h LYS 172 CO -0.01 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 1pke n TYR 173 N -4.19 1.19 -1.14 1.91 4.01 -0.91 -4.99 117.16 113.04 1pke n TYR 173 Ca -0.03 -0.60 -0.04 0.00 -0.16 0.00 0.00 57.90 57.07 1pke n TYR 173 Cb 0.19 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1pke n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pke n GLY 174 N 0.94 0.69 3.72 2.72 0.00 -0.95 -5.01 105.19 107.31 1pke n GLY 174 Ca 0.23 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1pke n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pke n ILE 175 N -2.90 0.16 0.08 -0.61 2.08 -0.74 -4.63 119.36 112.80 1pke n ILE 175 Ca -0.04 -0.04 -0.19 0.00 0.56 0.00 0.00 62.75 63.04 1pke n ILE 175 Cb 0.15 -1.96 -0.14 0.00 -0.75 0.00 0.00 39.64 36.93 1pke n ILE 175 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pke h LEU 176 N 6.43 0.49 -7.39 1.39 3.38 -0.89 -3.41 115.31 115.31 1pke h LEU 176 Ca -0.44 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 56.81 1pke h LEU 176 Cb 1.21 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 1pke h LEU 176 CO 0.93 1.53 -0.12 -0.83 0.09 0.00 0.00 178.44 180.04 1pke s GLY 177 N -4.92 -0.26 -0.22 0.83 0.00 -1.24 -4.53 107.32 96.98 1pke s GLY 177 Ca -0.10 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 1pke s GLY 177 CO 0.87 0.06 -0.05 0.14 0.00 0.00 0.00 173.10 174.11 1pke s VAL 178 N -2.36 3.26 0.00 1.40 1.01 -0.17 -0.75 120.40 122.80 1pke s VAL 178 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1pke s VAL 178 Cb -0.01 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1pke s VAL 178 CO -0.02 0.41 0.00 -1.84 0.00 0.00 0.00 175.10 173.66 1pke n GLU 179 N 4.78 0.50 -0.72 2.72 -0.00 0.09 -1.73 120.64 126.29 1pke n GLU 179 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.98 1pke n GLU 179 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 1pke n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pke n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.58 117.12 121.53 1pke n MET 180 Ca 0.00 -1.14 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 1pke n MET 180 Cb 0.00 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 1pke n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pke n GLU 181 N 0.10 0.00 -0.24 0.03 4.71 -1.26 -2.32 120.64 121.65 1pke n GLU 181 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.11 1pke n GLU 181 Cb 0.78 -0.40 -0.03 0.00 -1.01 0.00 0.00 31.44 30.78 1pke n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pke n ALA 182 N -1.94 -0.28 -0.32 0.62 0.00 -1.26 -0.70 120.51 116.62 1pke n ALA 182 Ca 0.00 0.54 0.05 0.00 0.00 0.00 0.00 53.44 54.03 1pke n ALA 182 Cb 0.07 -0.14 0.25 0.00 0.00 0.00 0.00 19.45 19.62 1pke n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pke h ALA 183 N 0.47 1.53 -0.14 0.00 0.00 -1.84 -1.02 119.26 118.25 1pke h ALA 183 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1pke h ALA 183 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pke h ALA 183 CO -0.57 0.30 -0.63 0.78 0.00 0.00 0.00 179.25 179.13 1pke h GLY 184 N 1.01 0.55 1.55 0.00 0.00 -1.28 -2.40 103.07 102.49 1pke h GLY 184 Ca 0.42 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1pke h GLY 184 CO -0.17 0.62 -0.53 -2.22 0.00 0.00 0.00 176.54 174.23 1pke h ILE 185 N 0.36 1.33 -0.04 2.60 2.04 -0.87 -2.05 117.51 120.88 1pke h ILE 185 Ca -0.01 -1.78 -0.13 0.00 1.00 0.00 0.00 64.86 63.94 1pke h ILE 185 Cb 1.19 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1pke h ILE 185 CO 0.11 0.55 -0.56 1.88 0.00 0.00 0.00 178.15 180.13 1pke h TYR 186 N 0.37 0.14 -0.31 1.37 0.99 -1.20 -1.96 116.97 116.38 1pke h TYR 186 Ca 0.01 -0.05 -0.17 0.00 2.00 0.00 0.00 58.73 60.52 1pke h TYR 186 Cb 1.05 -0.03 -0.00 0.00 1.00 0.00 0.00 36.73 38.75 1pke h TYR 186 CO 0.04 0.65 -0.49 0.78 -0.00 0.00 0.00 178.16 179.14 1pke h GLY 187 N 1.56 0.93 1.02 3.88 0.00 -1.23 -2.50 103.07 106.73 1pke h GLY 187 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.19 1pke h GLY 187 CO 0.08 0.93 -0.14 -2.08 0.00 0.00 0.00 176.54 175.33 1pke h VAL 188 N 0.67 1.28 -0.85 4.60 2.07 -1.25 -1.69 116.25 121.07 1pke h VAL 188 Ca 0.03 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1pke h VAL 188 Cb 1.08 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1pke h VAL 188 CO 0.11 0.43 0.43 0.00 0.02 0.00 0.00 177.57 178.55 1pke h ALA 189 N 0.85 1.15 -0.36 1.67 0.00 -1.35 -1.41 119.26 119.81 1pke h ALA 189 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1pke h ALA 189 Cb 0.69 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pke h ALA 189 CO 0.05 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.64 1pke h ALA 190 N 1.26 0.52 -0.30 0.00 0.00 -1.36 -0.44 119.26 118.94 1pke h ALA 190 Ca 0.29 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1pke h ALA 190 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pke h ALA 190 CO -0.04 0.56 -0.30 1.49 0.00 0.00 0.00 179.25 180.96 1pke h GLU 191 N 0.64 0.63 -0.46 0.00 4.81 -1.01 -3.25 114.58 115.93 1pke h GLU 191 Ca 0.06 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1pke h GLU 191 Cb 0.89 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1pke h GLU 191 CO 0.08 0.86 0.00 1.19 -0.73 0.00 0.00 179.01 180.41 1pke n PHE 192 N -4.08 0.71 -3.04 0.92 3.01 -0.56 -5.02 117.46 109.41 1pke n PHE 192 Ca -0.01 -0.54 -0.12 0.00 1.01 0.00 0.00 57.45 57.79 1pke n PHE 192 Cb 0.46 -0.06 0.06 0.00 -0.01 0.00 0.00 39.48 39.94 1pke n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pke n GLY 193 N 0.78 -0.13 3.06 1.37 0.00 -0.45 -4.99 105.19 104.83 1pke n GLY 193 Ca 0.17 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1pke n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pke n ALA 194 N -3.30 0.46 -2.40 4.61 0.00 -0.30 -5.05 120.51 114.53 1pke n ALA 194 Ca -0.20 -1.90 -0.32 0.00 0.00 0.00 0.00 53.44 51.02 1pke n ALA 194 Cb 0.62 1.19 -0.14 0.00 0.00 0.00 0.00 19.45 21.12 1pke n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pke s LYS 195 N -3.47 2.25 0.09 0.00 1.02 -0.74 -4.56 119.74 114.34 1pke s LYS 195 Ca 0.12 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 1pke s LYS 195 Cb 0.01 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1pke s LYS 195 CO 0.08 0.58 0.07 0.00 -0.92 0.00 0.00 175.35 175.16 1pke s ALA 196 N -0.72 0.45 -0.22 5.17 0.00 -1.26 -1.54 121.76 123.65 1pke s ALA 196 Ca 0.11 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 1pke s ALA 196 Cb -0.10 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.64 1pke s ALA 196 CO 0.01 -0.46 0.65 -1.17 0.00 0.00 0.00 175.76 174.79 1pke s LEU 197 N -2.96 -0.51 -0.09 0.00 2.96 -0.06 -2.60 118.68 115.42 1pke s LEU 197 Ca 0.13 1.24 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 1pke s LEU 197 Cb 0.07 2.27 -0.01 0.00 0.50 0.00 0.00 46.19 49.02 1pke s LEU 197 CO -0.05 -0.27 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.59 1pke s THR 198 N 0.15 2.25 -0.04 3.68 2.01 -1.26 0.01 115.64 122.44 1pke s THR 198 Ca -0.01 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.06 1pke s THR 198 Cb -0.04 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 1pke s THR 198 CO 0.02 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.73 1pke s ILE 199 N 0.16 1.26 0.06 1.82 1.01 -0.13 -1.36 121.20 124.02 1pke s ILE 199 Ca -0.12 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1pke s ILE 199 Cb -0.16 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1pke s ILE 199 CO 0.07 0.37 -0.05 0.00 0.00 0.00 0.00 174.94 175.32 1pke s THR 201 N -2.80 2.89 -0.18 0.00 -4.23 -0.74 -0.26 115.64 110.31 1pke s THR 201 Ca 0.00 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.47 1pke s THR 201 Cb -0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1pke s THR 201 CO -0.04 0.56 1.80 -0.69 -0.54 0.00 0.00 174.62 175.70 1pke s VAL 202 N -0.18 3.44 -0.20 2.29 1.01 -0.44 -2.89 120.40 123.42 1pke s VAL 202 Ca -0.01 0.50 0.22 0.00 0.00 0.00 0.00 61.98 62.69 1pke s VAL 202 Cb -0.13 -3.45 -0.26 0.00 0.00 0.00 0.00 36.38 32.54 1pke s VAL 202 CO 0.03 -0.19 0.65 -1.54 0.00 0.00 0.00 175.10 174.06 1pke n SER 203 N 8.93 0.28 -3.47 3.32 3.41 -0.53 -1.69 113.62 123.88 1pke n SER 203 Ca 0.21 -0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1pke n SER 203 Cb 0.44 1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 65.92 1pke n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pke s ASP 204 N -4.46 -0.55 -0.19 4.04 -4.77 -1.20 -4.99 116.67 104.55 1pke s ASP 204 Ca -0.04 0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 1pke s ASP 204 Cb 0.14 0.57 0.05 0.00 -1.09 0.00 0.00 42.92 42.58 1pke s ASP 204 CO 0.88 -0.87 -0.07 -2.28 0.70 0.00 0.00 175.17 173.53 1pke s HIS 205 N -3.18 2.02 0.13 2.11 2.46 -1.26 0.10 115.29 117.66 1pke s HIS 205 Ca -0.02 -1.35 -0.19 0.00 0.47 0.00 0.00 55.06 53.98 1pke s HIS 205 Cb -0.01 -1.45 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 1pke s HIS 205 CO -0.08 -0.68 1.77 0.82 -2.47 0.00 0.00 174.74 174.10 1pke h ILE 206 N 6.43 1.08 -0.65 0.89 2.04 -1.54 -3.33 117.51 122.43 1pke h ILE 206 Ca -0.24 -0.18 -0.35 0.00 1.00 0.00 0.00 64.86 65.09 1pke h ILE 206 Cb 1.10 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1pke h ILE 206 CO 0.43 0.08 0.99 -0.13 0.00 0.00 0.00 178.15 179.51 1pke s ARG 207 N -6.08 2.67 0.09 2.37 1.81 -1.24 -4.52 118.95 114.05 1pke s ARG 207 Ca -0.13 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1pke s ARG 207 Cb 0.09 -5.18 0.00 0.00 -0.45 0.00 0.00 34.95 29.41 1pke s ARG 207 CO 0.70 -3.48 0.00 2.41 -0.68 0.00 0.00 175.30 174.25 1pke n THR 208 N 7.71-10.40 -1.93 0.02 -1.04 -1.26 -4.99 114.28 102.39 1pke n THR 208 Ca 0.42 2.42 -0.29 0.00 -2.04 0.00 0.00 64.05 64.56 1pke n THR 208 Cb 0.47 -4.88 0.09 0.00 -1.82 0.00 0.00 70.33 64.19 1pke n THR 208 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1pke s HIS 209 N -0.40 2.96 0.00 -1.42 3.76 -1.25 -4.79 115.29 114.15 1pke s HIS 209 Ca 0.00 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 1pke s HIS 209 Cb 0.00 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 30.24 1pke s HIS 209 CO 0.00 -1.72 0.00 -1.91 -0.85 0.00 0.00 174.74 170.26 1pke n GLU 210 N -3.27 0.00 -0.21 1.40 2.13 -1.26 -5.10 120.64 114.34 1pke n GLU 210 Ca 0.08 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 1pke n GLU 210 Cb 0.61 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.40 1pke n GLU 210 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1pke n GLN 211 N 0.00 -2.25 0.00 5.31 6.02 -1.26 -4.96 117.38 120.24 1pke n GLN 211 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 1pke n GLN 211 Cb 0.00 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 30.71 1pke n GLN 211 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1pke n THR 212 N -3.55 0.00 -4.19 5.09 5.66 -1.26 -5.14 114.28 110.89 1pke n THR 212 Ca 0.05 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.87 1pke n THR 212 Cb 0.19 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.85 1pke n THR 212 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1pke s THR 213 N 2.78 1.00 0.12 1.09 2.01 -1.26 -5.06 115.64 116.32 1pke s THR 213 Ca 0.00 -1.18 -0.20 0.00 0.31 0.00 0.00 61.69 60.62 1pke s THR 213 Cb 0.00 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 1pke s THR 213 CO 0.00 -0.20 1.77 0.00 -0.69 0.00 0.00 174.62 175.50 1pke h ALA 214 N 4.49 0.25 -0.21 7.40 0.00 -2.02 0.32 119.26 129.49 1pke h ALA 214 Ca -0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1pke h ALA 214 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1pke h ALA 214 CO 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 1pke h ALA 215 N 1.06 1.57 0.02 0.00 0.00 -1.99 -1.51 119.26 118.42 1pke h ALA 215 Ca 0.07 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1pke h ALA 215 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pke h ALA 215 CO -0.02 0.32 -1.06 0.93 0.00 0.00 0.00 179.25 179.42 1pke h GLU 216 N 0.30 0.62 -0.38 0.00 5.08 -1.89 -2.58 114.58 115.73 1pke h GLU 216 Ca 0.07 -0.70 -0.06 0.00 -1.00 0.00 0.00 59.36 57.67 1pke h GLU 216 Cb 0.25 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1pke h GLU 216 CO 0.01 1.29 0.02 0.00 -1.00 0.00 0.00 179.01 179.32 1pke h ARG 217 N 0.34 0.66 0.00 2.33 3.08 -0.67 -2.55 114.38 117.56 1pke h ARG 217 Ca -0.13 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.66 1pke h ARG 217 Cb 1.72 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1pke h ARG 217 CO 0.20 0.75 -0.26 1.96 -1.07 0.00 0.00 179.97 181.55 1pke h GLN 218 N 0.48 0.00 -0.27 0.04 4.20 -1.35 -1.60 115.11 116.61 1pke h GLN 218 Ca 0.11 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 1pke h GLN 218 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1pke h GLN 218 CO 0.02 0.26 -0.37 1.15 -0.67 0.00 0.00 178.83 179.21 1pke h THR 219 N 0.00 1.30 -0.30 -0.54 2.02 -1.25 -2.75 112.91 111.40 1pke h THR 219 Ca -0.00 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 1pke h THR 219 Cb 0.59 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1pke h THR 219 CO 0.03 0.50 -0.24 0.74 0.37 0.00 0.00 175.52 176.92 1pke h THR 220 N 0.47 1.27 -0.47 3.16 2.02 -1.04 -1.92 112.91 116.39 1pke h THR 220 Ca 0.03 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.81 1pke h THR 220 Cb 0.96 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1pke h THR 220 CO 0.09 0.42 -0.11 0.15 0.37 0.00 0.00 175.52 176.43 1pke h PHE 221 N 0.51 0.97 -0.33 3.16 3.04 -1.28 -2.26 116.94 120.75 1pke h PHE 221 Ca 0.07 -0.19 -0.11 0.00 3.98 0.00 0.00 57.97 61.72 1pke h PHE 221 Cb 0.69 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1pke h PHE 221 CO 0.03 0.93 -0.26 -0.91 -2.02 0.00 0.00 178.31 176.08 1pke h ASN 222 N 0.79 0.67 -0.75 0.41 2.35 -1.24 -2.64 115.58 115.16 1pke h ASN 222 Ca 0.13 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1pke h ASN 222 Cb 0.63 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1pke h ASN 222 CO 0.04 0.90 0.39 0.44 -1.65 0.00 0.00 177.43 177.55 1pke h ASP 223 N 0.57 0.95 -0.29 5.81 3.32 -1.11 -0.13 116.42 125.54 1pke h ASP 223 Ca 0.08 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1pke h ASP 223 Cb 0.74 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1pke h ASP 223 CO 0.06 0.79 0.11 -0.03 -1.72 0.00 0.00 179.24 178.45 1pke h MET 224 N 1.04 0.23 -0.77 3.56 1.85 -1.17 0.17 114.93 119.84 1pke h MET 224 Ca 0.26 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.30 1pke h MET 224 Cb 0.07 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 1pke h MET 224 CO -0.04 0.15 0.35 0.82 -0.40 0.00 0.00 176.91 177.79 1pke h ILE 225 N 0.24 1.25 -0.72 1.77 1.08 -1.12 -1.03 117.51 118.97 1pke h ILE 225 Ca 0.13 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 1pke h ILE 225 Cb 0.09 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 1pke h ILE 225 CO -0.13 0.30 0.29 0.50 -0.69 0.00 0.00 178.15 178.43 1pke h LYS 226 N 1.11 1.07 -0.58 2.37 1.63 -0.28 -1.02 116.57 120.87 1pke h LYS 226 Ca 0.26 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1pke h LYS 226 Cb 0.15 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1pke h LYS 226 CO -0.03 0.87 0.03 0.82 -3.45 0.00 0.00 179.45 177.69 1pke h ILE 227 N 1.05 1.26 0.51 2.00 2.04 -0.13 -1.74 117.51 122.51 1pke h ILE 227 Ca 0.24 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1pke h ILE 227 Cb 0.20 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1pke h ILE 227 CO -0.02 0.39 -0.25 0.00 0.00 0.00 0.00 178.15 178.28 1pke h ALA 228 N 0.98 -0.69 -0.67 1.87 0.00 -0.63 -0.77 119.26 119.35 1pke h ALA 228 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pke h ALA 228 Cb 0.51 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1pke h ALA 228 CO 0.02 -0.82 0.31 -0.07 0.00 0.00 0.00 179.25 178.69 1pke h LEU 229 N -0.82 0.87 -0.64 0.00 3.38 -1.24 -2.60 115.31 114.26 1pke h LEU 229 Ca -0.07 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1pke h LEU 229 Cb 0.58 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1pke h LEU 229 CO 0.12 0.75 -0.68 -0.33 0.09 0.00 0.00 178.44 178.39 1pke h GLU 230 N 0.96 0.02 0.00 1.13 4.39 -1.30 -3.03 114.58 116.74 1pke h GLU 230 Ca 0.23 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1pke h GLU 230 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1pke h GLU 230 CO -0.03 0.69 -0.35 0.66 -1.16 0.00 0.00 179.01 178.82 1pke h SER 231 N 0.01 0.00 -0.25 1.42 4.64 -0.75 -2.73 113.55 115.89 1pke h SER 231 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1pke h SER 231 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pke h SER 231 CO 0.09 0.35 -0.10 0.58 -0.87 0.00 0.00 176.83 176.87 1pke h VAL 232 N 0.00 1.30 -0.86 0.95 2.07 -1.38 -2.71 116.25 115.62 1pke h VAL 232 Ca -0.00 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1pke h VAL 232 Cb 0.62 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1pke h VAL 232 CO 0.05 0.36 0.54 -0.07 0.02 0.00 0.00 177.57 178.47 1pke h LEU 233 N 0.25 1.01 -0.89 2.57 4.07 -1.46 -1.50 115.31 119.35 1pke h LEU 233 Ca 0.06 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 1pke h LEU 233 Cb 0.60 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1pke h LEU 233 CO 0.03 0.76 -0.08 -0.07 -1.08 0.00 0.00 178.44 178.00 1pke h LEU 234 N 1.18 0.71 -1.19 1.67 3.38 -1.44 -2.65 115.31 116.97 1pke h LEU 234 Ca 0.31 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1pke h LEU 234 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1pke h LEU 234 CO -0.06 0.83 -0.37 1.23 0.09 0.00 0.00 178.44 180.15 1pke h GLY 235 N 0.97 0.00 2.00 0.83 0.00 -1.01 -2.38 103.07 103.48 1pke h GLY 235 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1pke h GLY 235 CO 0.03 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.02 1pke h ASP 236 N 0.00 0.00 -0.03 0.19 3.32 -0.93 -3.51 116.42 115.46 1pke h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pke h ASP 236 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1pke h ASP 236 CO 0.05 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.86