#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yda n GLY 6 N 0.00 -0.68 1.15 -1.67 0.00 0.14 -4.95 105.19 99.19 1yda n GLY 6 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 1yda n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yda n TYR 7 N 0.44 0.59 -3.65 1.61 4.01 -1.26 -3.55 117.16 115.34 1yda n TYR 7 Ca 0.00 -1.50 -0.23 0.00 -0.16 0.00 0.00 57.90 56.02 1yda n TYR 7 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.77 1yda n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1yda s GLY 8 N -3.12 2.19 0.29 2.72 0.00 -1.26 -4.76 107.32 103.37 1yda s GLY 8 Ca 0.39 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1yda s GLY 8 CO -0.07 -1.79 1.72 1.70 0.00 0.00 0.00 173.10 174.66 1yda h LYS 9 N 0.86 0.47 0.00 2.90 1.63 -1.96 1.18 116.57 121.65 1yda h LYS 9 Ca -0.39 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1yda h LYS 9 Cb 1.28 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1yda h LYS 9 CO 0.56 0.31 -1.55 0.72 -3.45 0.00 0.00 179.45 176.04 1yda n HIS 10 N -4.98 0.04 -0.98 1.91 8.25 -1.26 -4.39 115.22 113.81 1yda n HIS 10 Ca 0.21 0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.70 1yda n HIS 10 Cb 0.61 -0.33 0.02 0.00 1.12 0.00 0.00 29.99 31.40 1yda n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1yda n ASN 11 N -1.98 0.82 -3.79 0.41 6.94 -0.78 -4.95 115.26 111.92 1yda n ASN 11 Ca -0.01 -1.75 -0.30 0.00 -0.02 0.00 0.00 54.58 52.50 1yda n ASN 11 Cb 0.48 -0.10 0.23 0.00 -2.36 0.00 0.00 39.78 38.03 1yda n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1yda s GLY 12 N -0.86 1.63 0.42 4.83 0.00 0.40 0.29 107.32 114.03 1yda s GLY 12 Ca 0.04 -1.07 0.24 0.00 0.00 0.00 0.00 44.72 43.94 1yda s GLY 12 CO 0.00 -0.18 1.73 -2.55 0.00 0.00 0.00 173.10 172.10 1yda h PRO 13 N -2.44 0.25 0.00 2.90 0.11 -1.85 0.74 132.00 131.72 1yda h PRO 13 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1yda h PRO 13 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yda h PRO 13 CO 0.32 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.43 1yda n GLU 14 N -4.60 0.73 0.00 1.05 0.00 -1.26 -2.07 120.64 114.49 1yda n GLU 14 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.45 1yda n GLU 14 Cb 1.09 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 31.48 1yda n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yda n HIS 15 N -0.55 0.00 0.36 -1.84 8.25 0.25 -4.81 115.22 116.89 1yda n HIS 15 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1yda n HIS 15 Cb 0.01 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.63 1yda n HIS 15 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1yda n TRP 16 N -0.62 0.82 0.26 4.41 8.01 -0.88 -2.29 117.44 127.15 1yda n TRP 16 Ca 0.00 0.33 0.13 0.00 -1.31 0.00 0.00 57.50 56.65 1yda n TRP 16 Cb 0.00 -1.04 0.68 0.00 -2.01 0.00 0.00 31.31 28.94 1yda n TRP 16 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.69 177.80 1yda h HIS 17 N 0.00 0.00 -0.18 -5.99 2.07 -1.79 0.19 115.15 109.45 1yda h HIS 17 Ca 0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 1yda h HIS 17 Cb 0.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 1yda h HIS 17 CO 0.00 0.13 -0.54 0.87 -3.07 0.00 0.00 177.93 175.32 1yda h LYS 18 N 0.00 0.52 0.00 5.12 1.57 -1.85 -2.45 116.57 119.48 1yda h LYS 18 Ca -0.00 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 1yda h LYS 18 Cb 0.44 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1yda h LYS 18 CO 0.02 0.92 -2.01 -0.25 -0.57 0.00 0.00 179.45 177.56 1yda n ASP 19 N -3.96 0.13 -3.80 0.86 8.00 -1.01 -4.67 116.55 112.09 1yda n ASP 19 Ca -0.03 0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.24 1yda n ASP 19 Cb 0.59 1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 42.99 1yda n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1yda s PHE 20 N -3.13 2.90 0.05 1.24 0.08 0.63 -4.98 117.98 114.77 1yda s PHE 20 Ca -0.08 -3.03 0.32 0.00 0.12 0.00 0.00 56.93 54.27 1yda s PHE 20 Cb 0.11 -2.34 1.50 0.00 -0.57 0.00 0.00 43.02 41.72 1yda s PHE 20 CO 0.87 -0.66 1.97 -1.00 -0.10 0.00 0.00 175.22 176.30 1yda h PRO 21 N 5.81 0.00 0.00 0.24 0.13 -1.65 -1.20 132.00 135.33 1yda h PRO 21 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1yda h PRO 21 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1yda h PRO 21 CO 0.63 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.91 1yda n ILE 22 N -2.77 1.55 0.16 -3.56 3.06 -1.26 -2.42 119.36 114.11 1yda n ILE 22 Ca -0.00 0.39 0.19 0.00 -2.50 0.00 0.00 62.75 60.82 1yda n ILE 22 Cb 0.20 -1.29 0.78 0.00 0.54 0.00 0.00 39.64 39.86 1yda n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1yda h ALA 23 N 2.20 1.91 -0.61 1.51 0.00 -1.54 -0.89 119.26 121.83 1yda h ALA 23 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 1yda h ALA 23 Cb 0.09 0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.53 1yda h ALA 23 CO 0.00 -0.53 -0.82 0.36 0.00 0.00 0.00 179.25 178.26 1yda n LYS 24 N -3.56 3.08 0.00 0.00 2.85 -1.02 -4.98 118.16 114.54 1yda n LYS 24 Ca 0.04 -3.95 0.00 0.00 -1.05 0.00 0.00 58.31 53.36 1yda n LYS 24 Cb 0.52 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 1yda n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1yda n GLY 25 N -0.72 -1.37 0.16 2.58 0.00 -0.34 -5.04 105.19 100.45 1yda n GLY 25 Ca 0.36 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1yda n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yda h GLU 26 N 0.00 -0.28 -2.28 1.61 3.07 -1.95 -3.37 114.58 111.37 1yda h GLU 26 Ca 0.00 0.02 -0.62 0.00 -0.50 0.00 0.00 59.36 58.26 1yda h GLU 26 Cb 0.00 0.06 -0.40 0.00 -0.84 0.00 0.00 28.75 27.57 1yda h GLU 26 CO 0.00 0.10 -0.45 2.89 -1.40 0.00 0.00 179.01 180.15 1yda n ARG 27 N -5.01 3.23 -3.31 2.33 1.85 -1.26 -4.75 116.66 109.75 1yda n ARG 27 Ca -0.08 -4.79 -0.35 0.00 -1.00 0.00 0.00 57.85 51.63 1yda n ARG 27 Cb 0.26 -2.27 -0.06 0.00 -1.05 0.00 0.00 32.46 29.34 1yda n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1yda s GLN 28 N -3.21 4.01 0.20 2.89 -1.52 -1.26 -2.32 119.66 118.45 1yda s GLN 28 Ca 0.45 0.55 0.10 0.00 -1.95 0.00 0.00 55.36 54.50 1yda s GLN 28 Cb 0.22 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 1yda s GLN 28 CO -0.09 0.44 -0.14 -1.12 -0.25 0.00 0.00 175.29 174.13 1yda s SER 29 N -1.78 3.99 0.90 5.90 0.01 -1.26 -4.69 113.70 116.77 1yda s SER 29 Ca 0.40 -0.69 -0.10 0.00 1.31 0.00 0.00 55.95 56.86 1yda s SER 29 Cb -0.15 -0.56 0.19 0.00 0.21 0.00 0.00 66.02 65.71 1yda s SER 29 CO 0.20 0.10 1.18 -0.81 0.41 0.00 0.00 173.24 174.31 1yda n PRO 30 N 0.01 -0.84 -3.99 12.44 -0.04 -1.26 -4.51 135.00 136.81 1yda n PRO 30 Ca -0.11 -2.25 -0.09 0.00 -0.04 0.00 0.00 63.50 61.02 1yda n PRO 30 Cb 0.56 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 1yda n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1yda s VAL 31 N -3.54 0.14 -0.02 0.52 -7.23 -1.26 0.55 120.40 109.55 1yda s VAL 31 Ca 0.70 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 59.07 1yda s VAL 31 Cb -0.03 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1yda s VAL 31 CO 0.48 -0.62 0.90 -0.62 -0.31 0.00 0.00 175.10 174.93 1yda s ASP 32 N -2.94 7.26 -0.48 4.85 2.15 -1.26 -3.10 116.67 123.15 1yda s ASP 32 Ca 0.12 1.52 -0.21 0.00 0.43 0.00 0.00 52.55 54.41 1yda s ASP 32 Cb 0.06 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1yda s ASP 32 CO -0.06 -0.22 0.71 -0.63 -0.17 0.00 0.00 175.17 174.80 1yda s ILE 33 N 0.95 4.74 -0.36 4.11 1.01 -0.19 -4.94 121.20 126.52 1yda s ILE 33 Ca 0.48 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 1yda s ILE 33 Cb -0.20 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 37.97 1yda s ILE 33 CO 0.25 -0.77 0.70 -0.62 0.00 0.00 0.00 174.94 174.50 1yda s ASP 34 N 2.38 6.48 0.47 3.58 -1.08 -1.26 -0.09 116.67 127.16 1yda s ASP 34 Ca 0.22 0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.75 1yda s ASP 34 Cb -0.15 -2.36 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 1yda s ASP 34 CO 0.17 -0.65 1.89 0.71 0.52 0.00 0.00 175.17 177.80 1yda h THR 35 N 5.71 0.46 0.00 1.71 1.35 -1.95 -2.35 112.91 117.83 1yda h THR 35 Ca -0.26 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.59 1yda h THR 35 Cb 1.10 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1yda h THR 35 CO 0.87 0.17 -0.78 0.45 -0.25 0.00 0.00 175.52 175.97 1yda h HIS 36 N 0.00 0.00 -0.11 4.73 3.86 -2.02 -3.21 115.15 118.40 1yda h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yda h HIS 36 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1yda h HIS 36 CO 0.00 0.27 0.00 2.41 0.86 0.00 0.00 177.93 181.47 1yda n THR 37 N -2.95 0.12 -2.50 2.45 -1.04 -1.02 -4.91 114.28 104.43 1yda n THR 37 Ca -0.01 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 1yda n THR 37 Cb 0.66 0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 70.02 1yda n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yda s ALA 38 N -1.88 3.43 -0.61 2.41 0.00 -0.92 -4.69 121.76 119.50 1yda s ALA 38 Ca 0.34 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1yda s ALA 38 Cb 0.20 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.88 1yda s ALA 38 CO 0.31 -0.61 1.23 0.21 0.00 0.00 0.00 175.76 176.90 1yda s LYS 39 N 1.80 3.43 -0.12 0.00 2.36 0.18 -4.76 119.74 122.63 1yda s LYS 39 Ca 0.55 0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 53.85 1yda s LYS 39 Cb -0.25 -4.06 -0.06 0.00 -1.05 0.00 0.00 37.83 32.41 1yda s LYS 39 CO 0.24 -1.81 2.09 -0.47 1.55 0.00 0.00 175.35 176.95 1yda s TYR 40 N 5.23 1.26 -0.38 4.03 5.04 -1.26 -1.48 117.35 129.78 1yda s TYR 40 Ca 0.42 0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 55.15 1yda s TYR 40 Cb -0.08 -4.06 0.09 0.00 0.35 0.00 0.00 41.96 38.26 1yda s TYR 40 CO 0.23 -4.64 0.16 0.34 -1.34 0.00 0.00 175.55 170.31 1yda s ASP 41 N 6.53 5.24 0.00 4.32 2.15 -0.68 -4.91 116.67 129.33 1yda s ASP 41 Ca 0.94 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 52.19 1yda s ASP 41 Cb -0.36 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1yda s ASP 41 CO 0.37 -0.47 0.30 -0.81 -0.17 0.00 0.00 175.17 174.39 1yda n PRO 42 N 4.66 0.58 0.00 4.34 -0.04 -1.26 -2.77 135.00 140.51 1yda n PRO 42 Ca -0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1yda n PRO 42 Cb 0.42 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 1yda n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yda n SER 43 N 0.19 2.22 -4.63 3.54 3.41 -1.26 -4.92 113.62 112.16 1yda n SER 43 Ca 0.00 -1.61 -0.43 0.00 -0.26 0.00 0.00 58.87 56.57 1yda n SER 43 Cb 0.14 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1yda n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yda s LEU 44 N -1.92 3.90 0.83 1.04 2.96 -1.12 -5.01 118.68 119.37 1yda s LEU 44 Ca 0.19 1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 55.18 1yda s LEU 44 Cb 0.16 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.40 1yda s LEU 44 CO 0.36 -1.02 1.13 -0.54 -1.32 0.00 0.00 176.35 174.95 1yda s LYS 45 N 4.03 1.65 0.64 1.98 1.02 -1.26 -4.99 119.74 122.81 1yda s LYS 45 Ca 0.54 1.43 -0.16 0.00 0.02 0.00 0.00 55.97 57.79 1yda s LYS 45 Cb -0.16 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1yda s LYS 45 CO 0.21 -2.14 1.15 -1.25 -0.92 0.00 0.00 175.35 172.40 1yda s PRO 46 N -4.65 2.80 0.30 -1.68 0.04 -1.26 -3.23 135.00 127.33 1yda s PRO 46 Ca 0.65 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 1yda s PRO 46 Cb -0.21 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1yda s PRO 46 CO 0.55 -1.28 1.11 -0.51 0.04 0.00 0.00 177.00 176.91 1yda s LEU 47 N -4.58 4.48 -0.41 -3.56 1.43 -1.26 -1.13 118.68 113.65 1yda s LEU 47 Ca 0.71 2.27 0.03 0.00 -1.03 0.00 0.00 54.13 56.12 1yda s LEU 47 Cb -0.24 -3.72 0.11 0.00 0.03 0.00 0.00 46.19 42.37 1yda s LEU 47 CO 0.38 -0.24 0.13 -0.55 0.23 0.00 0.00 176.35 176.30 1yda s SER 48 N -0.95 4.66 -0.50 2.29 0.15 0.44 -4.89 113.70 114.90 1yda s SER 48 Ca 0.47 -2.44 -0.16 0.00 0.70 0.00 0.00 55.95 54.51 1yda s SER 48 Cb -0.31 -1.65 0.09 0.00 -1.71 0.00 0.00 66.02 62.43 1yda s SER 48 CO 0.40 -0.34 0.48 -0.69 1.20 0.00 0.00 173.24 174.29 1yda s VAL 49 N 0.51 5.14 -0.74 4.45 1.01 -1.26 -1.31 120.40 128.20 1yda s VAL 49 Ca 0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1yda s VAL 49 Cb -0.21 -4.23 0.19 0.00 0.00 0.00 0.00 36.38 32.13 1yda s VAL 49 CO -0.05 -0.72 0.60 -0.44 0.00 0.00 0.00 175.10 174.49 1yda s SER 50 N 2.91 5.76 -0.31 3.32 0.01 0.51 -4.92 113.70 120.99 1yda s SER 50 Ca 0.06 -3.03 0.07 0.00 1.31 0.00 0.00 55.95 54.36 1yda s SER 50 Cb -0.25 -1.95 0.46 0.00 0.21 0.00 0.00 66.02 64.49 1yda s SER 50 CO 0.07 -0.37 1.33 -1.22 0.41 0.00 0.00 173.24 173.46 1yda n TYR 51 N 3.31 1.80 0.99 2.43 4.01 -1.26 -1.20 117.16 127.25 1yda n TYR 51 Ca 0.12 -2.00 0.11 0.00 -0.16 0.00 0.00 57.90 55.97 1yda n TYR 51 Cb 0.40 -0.46 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1yda n TYR 51 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1yda n ASP 52 N -0.91 2.30 -0.69 7.72 5.75 -1.26 -4.11 116.55 125.35 1yda n ASP 52 Ca 0.38 -1.65 0.06 0.00 -0.01 0.00 0.00 54.79 53.56 1yda n ASP 52 Cb 0.89 0.34 0.16 0.00 -1.03 0.00 0.00 41.12 41.48 1yda n ASP 52 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1yda n GLN 53 N 0.37 1.18 -2.21 0.11 -0.06 -1.17 -5.05 117.38 110.56 1yda n GLN 53 Ca 0.11 -2.86 -0.42 0.00 -2.00 0.00 0.00 57.00 51.82 1yda n GLN 53 Cb 0.50 -1.25 -0.03 0.00 -4.06 0.00 0.00 30.24 25.40 1yda n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yda s ALA 54 N -2.44 3.56 -0.51 1.69 0.00 -1.21 -4.53 121.76 118.31 1yda s ALA 54 Ca 0.35 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.29 1yda s ALA 54 Cb 0.35 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1yda s ALA 54 CO -0.07 -0.58 0.40 0.99 0.00 0.00 0.00 175.76 176.50 1yda s THR 55 N 1.06 4.45 0.27 0.00 2.01 -1.26 -4.88 115.64 117.29 1yda s THR 55 Ca 0.63 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.52 1yda s THR 55 Cb -0.36 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1yda s THR 55 CO 0.30 -0.81 0.95 -0.94 -0.69 0.00 0.00 174.62 173.43 1yda s SER 56 N 2.73 7.51 -0.22 3.53 1.04 -1.26 -1.91 113.70 125.12 1yda s SER 56 Ca 0.06 1.94 -0.10 0.00 0.48 0.00 0.00 55.95 58.33 1yda s SER 56 Cb -0.26 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.16 1yda s SER 56 CO -0.01 0.06 -0.28 0.18 0.98 0.00 0.00 173.24 174.18 1yda n LEU 57 N 1.16 1.71 -3.82 2.42 4.77 -0.20 -3.75 117.00 119.30 1yda n LEU 57 Ca -0.01 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1yda n LEU 57 Cb 0.48 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1yda n LEU 57 CO 0.48 0.50 0.77 0.00 -1.33 0.00 0.00 177.39 177.82 1yda s ARG 58 N -2.41 1.27 0.05 3.23 1.70 -1.13 -1.07 118.95 120.58 1yda s ARG 58 Ca -0.31 -0.77 0.05 0.00 -0.47 0.00 0.00 55.73 54.23 1yda s ARG 58 Cb 0.11 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1yda s ARG 58 CO 0.40 -0.59 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.40 1yda s ILE 59 N -2.65 1.06 -0.18 4.99 2.07 -0.65 -0.78 121.20 125.05 1yda s ILE 59 Ca 0.17 -1.08 -0.22 0.00 -1.41 0.00 0.00 60.65 58.11 1yda s ILE 59 Cb -0.02 -0.99 0.06 0.00 0.13 0.00 0.00 42.46 41.64 1yda s ILE 59 CO 0.04 -0.09 0.59 -1.48 -1.91 0.00 0.00 174.94 172.10 1yda s LEU 60 N -1.33 -0.28 -0.26 8.50 2.34 -1.14 -1.17 118.68 125.35 1yda s LEU 60 Ca -0.00 1.06 -0.10 0.00 0.06 0.00 0.00 54.13 55.15 1yda s LEU 60 Cb -0.08 2.09 -0.05 0.00 -0.56 0.00 0.00 46.19 47.58 1yda s LEU 60 CO 0.01 -0.29 0.17 0.21 -1.06 0.00 0.00 176.35 175.39 1yda s ASN 61 N -0.02 6.01 -0.05 1.48 3.84 -0.78 -1.36 114.94 124.05 1yda s ASN 61 Ca -0.03 0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.26 1yda s ASN 61 Cb -0.04 -2.10 0.57 0.00 -0.55 0.00 0.00 41.25 39.14 1yda s ASN 61 CO 0.02 0.01 1.49 -0.46 -2.79 0.00 0.00 177.10 175.37 1yda n ASN 62 N 4.62 3.95 0.00 -4.21 0.23 -0.69 -1.07 115.26 118.09 1yda n ASN 62 Ca -0.15 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 1yda n ASN 62 Cb 0.52 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1yda n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yda n GLY 63 N 1.00 3.29 0.00 4.83 0.00 -1.26 -4.72 105.19 108.33 1yda n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1yda n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1yda n HIS 64 N -1.19 0.00 -3.97 1.61 -0.00 -1.26 -4.59 115.22 105.82 1yda n HIS 64 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 1yda n HIS 64 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 1yda n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yda n ALA 65 N -0.90 -3.26 -2.75 1.59 0.00 -1.26 -4.89 120.51 109.03 1yda n ALA 65 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 53.44 52.24 1yda n ALA 65 Cb 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 1yda n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1yda s PHE 66 N -2.06 3.22 -0.13 0.00 -0.71 -1.26 -1.71 117.98 115.33 1yda s PHE 66 Ca 0.27 0.16 0.01 0.00 -1.04 0.00 0.00 56.93 56.33 1yda s PHE 66 Cb -0.02 -1.71 0.02 0.00 -1.21 0.00 0.00 43.02 40.11 1yda s PHE 66 CO 0.02 0.52 -0.14 -0.80 -1.34 0.00 0.00 175.22 173.48 1yda s ASN 67 N -1.73 2.53 -0.22 1.98 0.02 -0.47 -4.38 114.94 112.67 1yda s ASN 67 Ca 0.22 -0.44 -0.24 0.00 -1.02 0.00 0.00 52.86 51.38 1yda s ASN 67 Cb -0.12 -1.10 -0.01 0.00 0.02 0.00 0.00 41.25 40.04 1yda s ASN 67 CO 0.13 -0.04 0.81 -0.69 0.02 0.00 0.00 177.10 177.33 1yda s VAL 68 N 1.32 4.87 0.21 1.60 1.01 -0.87 -2.88 120.40 125.66 1yda s VAL 68 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1yda s VAL 68 Cb -0.14 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1yda s VAL 68 CO -0.07 -0.03 0.38 -1.61 0.00 0.00 0.00 175.10 173.77 1yda s GLU 69 N 2.57 3.48 0.04 2.72 2.02 0.04 -2.02 118.70 127.54 1yda s GLU 69 Ca 0.35 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.87 1yda s GLU 69 Cb -0.16 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1yda s GLU 69 CO 0.09 0.41 -0.05 -0.06 0.02 0.00 0.00 175.26 175.67 1yda s PHE 70 N -1.90 0.48 -0.95 1.61 0.40 -0.59 -1.03 117.98 115.99 1yda s PHE 70 Ca 0.37 -0.61 -0.24 0.00 -0.60 0.00 0.00 56.93 55.85 1yda s PHE 70 Cb -0.11 -0.31 0.05 0.00 0.51 0.00 0.00 43.02 43.16 1yda s PHE 70 CO 0.30 -0.17 1.41 0.34 0.70 0.00 0.00 175.22 177.79 1yda s ASP 71 N -1.79 6.42 -0.47 1.36 2.15 -0.80 -4.79 116.67 118.73 1yda s ASP 71 Ca -0.09 -1.20 -0.02 0.00 0.43 0.00 0.00 52.55 51.66 1yda s ASP 71 Cb -0.07 -2.57 0.23 0.00 -0.30 0.00 0.00 42.92 40.21 1yda s ASP 71 CO -0.02 -1.59 2.24 -0.90 -0.17 0.00 0.00 175.17 174.73 1yda n ASP 72 N 9.01 6.81 -0.07 -0.34 5.68 -1.26 -4.31 116.55 132.07 1yda n ASP 72 Ca 0.26 -3.32 0.12 0.00 -0.50 0.00 0.00 54.79 51.35 1yda n ASP 72 Cb 0.51 -1.09 0.21 0.00 -1.14 0.00 0.00 41.12 39.60 1yda n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1yda n SER 73 N 0.17 0.75 -3.65 -1.12 3.41 -1.26 -4.90 113.62 107.03 1yda n SER 73 Ca 0.44 -0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1yda n SER 73 Cb 0.56 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 1yda n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1yda s GLN 74 N -2.87 0.94 -0.80 4.33 -0.21 -1.26 -5.09 119.66 114.70 1yda s GLN 74 Ca 0.14 -0.31 -0.25 0.00 0.02 0.00 0.00 55.36 54.95 1yda s GLN 74 Cb 0.18 0.42 -0.01 0.00 1.00 0.00 0.00 33.01 34.59 1yda s GLN 74 CO 0.68 -0.32 1.76 -0.51 -2.12 0.00 0.00 175.29 174.78 1yda s ASP 75 N -1.95 5.52 -0.05 5.90 1.01 -1.26 -4.57 116.67 121.27 1yda s ASP 75 Ca -0.06 -0.43 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 1yda s ASP 75 Cb -0.01 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1yda s ASP 75 CO -0.02 -2.32 -0.05 0.29 0.21 0.00 0.00 175.17 173.28 1yda n LYS 76 N 9.04 0.12 -3.92 8.23 5.02 -1.26 -4.94 118.16 130.44 1yda n LYS 76 Ca 0.28 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 1yda n LYS 76 Cb 0.50 -1.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.35 1yda n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yda s ALA 77 N -2.10 1.83 0.11 7.82 0.00 -1.26 -3.02 121.76 125.14 1yda s ALA 77 Ca -0.07 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.70 1yda s ALA 77 Cb 0.02 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1yda s ALA 77 CO 0.11 -1.11 -0.10 0.14 0.00 0.00 0.00 175.76 174.80 1yda s VAL 78 N 1.46 0.99 -0.09 0.00 -7.23 -0.34 -1.86 120.40 113.32 1yda s VAL 78 Ca -0.04 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1yda s VAL 78 Cb -0.18 -1.50 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 1yda s VAL 78 CO -0.07 -0.62 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.65 1yda s LEU 79 N -2.65 2.10 0.00 1.32 0.20 -0.59 -0.36 118.68 118.70 1yda s LEU 79 Ca 0.09 -0.55 -0.05 0.00 0.69 0.00 0.00 54.13 54.31 1yda s LEU 79 Cb -0.01 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.36 1yda s LEU 79 CO -0.00 0.17 0.38 2.29 -0.29 0.00 0.00 176.35 178.90 1yda n LYS 80 N 3.43 0.55 0.00 1.98 2.85 -0.43 -1.30 118.16 125.24 1yda n LYS 80 Ca -0.19 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 55.56 1yda n LYS 80 Cb 0.53 1.65 0.00 0.00 -0.65 0.00 0.00 35.03 36.55 1yda n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1yda n GLY 81 N -0.33 -1.16 7.00 2.58 0.00 -1.26 -0.42 105.19 111.60 1yda n GLY 81 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1yda n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yda n GLY 82 N 0.00 2.10 0.00 -0.02 0.00 -0.28 -1.67 105.19 105.32 1yda n GLY 82 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1yda n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yda n PRO 83 N 14.00 0.47 -3.00 1.61 -0.04 -1.26 -3.98 135.00 142.79 1yda n PRO 83 Ca 0.00 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1yda n PRO 83 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1yda n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yda s LEU 84 N -2.35 4.46 -0.25 1.53 1.43 -0.67 -5.03 118.68 117.80 1yda s LEU 84 Ca 0.26 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.72 1yda s LEU 84 Cb 0.15 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1yda s LEU 84 CO 0.31 0.04 0.06 -1.81 0.23 0.00 0.00 176.35 175.18 1yda s ASP 85 N -0.15 5.08 0.00 2.29 1.01 -1.26 -4.50 116.67 119.13 1yda s ASP 85 Ca 0.38 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.42 1yda s ASP 85 Cb -0.20 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1yda s ASP 85 CO 0.23 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.19 1yda n GLY 86 N 4.90 -4.09 3.70 0.21 0.00 -1.26 -4.98 105.19 103.66 1yda n GLY 86 Ca -0.16 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 1yda n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yda s THR 87 N -0.95 5.36 -0.26 2.61 2.01 -1.26 -4.63 115.64 118.52 1yda s THR 87 Ca 0.00 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1yda s THR 87 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1yda s THR 87 CO 0.00 0.38 0.01 -0.31 -0.69 0.00 0.00 174.62 174.01 1yda s TYR 88 N 0.73 3.08 0.03 4.92 1.51 -0.42 -0.88 117.35 126.31 1yda s TYR 88 Ca 0.09 -1.14 -0.30 0.00 -1.01 0.00 0.00 57.07 54.71 1yda s TYR 88 Cb -0.12 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.51 1yda s TYR 88 CO 0.02 -0.61 1.31 1.03 -1.11 0.00 0.00 175.55 176.19 1yda s ARG 89 N 1.44 4.34 0.02 -0.62 0.52 0.47 -1.54 118.95 123.58 1yda s ARG 89 Ca 0.03 1.89 -0.30 0.00 -0.52 0.00 0.00 55.73 56.82 1yda s ARG 89 Cb -0.16 -3.45 -0.07 0.00 0.52 0.00 0.00 34.95 31.79 1yda s ARG 89 CO -0.01 -0.45 1.65 -1.17 0.02 0.00 0.00 175.30 175.35 1yda s LEU 90 N 1.77 4.35 -0.17 2.53 2.96 -0.78 -1.20 118.68 128.14 1yda s LEU 90 Ca 0.61 2.39 0.03 0.00 -0.22 0.00 0.00 54.13 56.94 1yda s LEU 90 Cb -0.31 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.71 1yda s LEU 90 CO 0.27 -0.90 -0.13 0.00 -1.32 0.00 0.00 176.35 174.28 1yda n ILE 91 N 5.02 1.01 -3.59 6.68 3.06 -0.66 -4.27 119.36 126.61 1yda n ILE 91 Ca 0.16 -0.42 -0.05 0.00 -2.50 0.00 0.00 62.75 59.95 1yda n ILE 91 Cb 0.41 -1.06 -0.02 0.00 0.54 0.00 0.00 39.64 39.52 1yda n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1yda s GLN 92 N -2.35 0.63 0.06 9.51 1.03 -1.25 -1.54 119.66 125.74 1yda s GLN 92 Ca -0.22 -0.27 0.02 0.00 0.04 0.00 0.00 55.36 54.92 1yda s GLN 92 Cb 0.06 0.26 -0.03 0.00 0.03 0.00 0.00 33.01 33.33 1yda s GLN 92 CO 0.43 -0.28 -0.06 -0.59 -2.54 0.00 0.00 175.29 172.25 1yda s PHE 93 N -2.79 0.68 0.27 9.60 -0.12 -0.86 -0.86 117.98 123.91 1yda s PHE 93 Ca 0.09 -0.68 -0.16 0.00 -0.05 0.00 0.00 56.93 56.13 1yda s PHE 93 Cb -0.00 -0.41 0.01 0.00 -0.63 0.00 0.00 43.02 41.99 1yda s PHE 93 CO -0.05 -0.14 0.61 -3.38 -0.05 0.00 0.00 175.22 172.21 1yda s HIS 94 N -2.30 0.11 0.41 3.49 -3.43 -0.86 -2.04 115.29 110.68 1yda s HIS 94 Ca -0.02 -0.54 0.05 0.00 -0.80 0.00 0.00 55.06 53.75 1yda s HIS 94 Cb -0.04 0.46 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 1yda s HIS 94 CO -0.02 -1.14 0.03 -0.06 -2.00 0.00 0.00 174.74 171.54 1yda s PHE 95 N -3.85 2.22 -0.02 0.38 0.40 -1.26 -1.13 117.98 114.72 1yda s PHE 95 Ca 0.17 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1yda s PHE 95 Cb -0.03 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.91 1yda s PHE 95 CO 0.09 0.26 -0.01 -1.01 0.70 0.00 0.00 175.22 175.24 1yda s HIS 96 N -2.90 0.35 0.21 0.36 3.76 -0.86 -4.84 115.29 111.37 1yda s HIS 96 Ca 0.28 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 55.10 1yda s HIS 96 Cb 0.07 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 1yda s HIS 96 CO 0.14 -0.10 0.27 1.67 -0.85 0.00 0.00 174.74 175.87 1yda s TRP 97 N 0.71 0.80 0.48 1.40 -2.14 -1.24 -1.35 118.94 117.59 1yda s TRP 97 Ca -0.07 -1.09 0.07 0.00 2.66 0.00 0.00 56.10 57.67 1yda s TRP 97 Cb -0.11 -0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.02 1yda s TRP 97 CO -0.01 -0.77 0.36 0.20 -2.66 0.00 0.00 176.95 174.07 1yda s GLY 98 N -3.09 2.28 0.31 3.67 0.00 -1.21 -1.80 107.32 107.47 1yda s GLY 98 Ca 0.31 -1.66 0.25 0.00 0.00 0.00 0.00 44.72 43.62 1yda s GLY 98 CO 0.10 -1.85 1.67 1.48 0.00 0.00 0.00 173.10 174.50 1yda h SER 99 N 0.96 0.00 -4.42 1.64 4.64 -1.89 -3.38 113.55 111.09 1yda h SER 99 Ca -0.39 -0.01 -0.35 0.00 -0.47 0.00 0.00 61.79 60.57 1yda h SER 99 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 1yda h SER 99 CO 0.59 0.00 -0.62 -0.76 -0.87 0.00 0.00 176.83 175.18 1yda s LEU 100 N -5.27 1.71 0.00 5.97 2.01 -1.26 -5.06 118.68 116.78 1yda s LEU 100 Ca 0.09 -1.36 0.17 0.00 0.01 0.00 0.00 54.13 53.04 1yda s LEU 100 Cb 0.09 -0.01 0.83 0.00 0.01 0.00 0.00 46.19 47.11 1yda s LEU 100 CO 0.64 -0.71 1.56 0.47 1.01 0.00 0.00 176.35 179.32 1yda n ASP 101 N -0.46 0.74 -0.97 2.29 8.00 -1.26 -3.44 116.55 121.46 1yda n ASP 101 Ca -0.01 -1.61 0.09 0.00 0.71 0.00 0.00 54.79 53.97 1yda n ASP 101 Cb 0.66 -0.05 0.21 0.00 -0.02 0.00 0.00 41.12 41.92 1yda n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yda n GLY 102 N 0.91 2.20 3.28 0.44 0.00 -1.26 -3.70 105.19 107.06 1yda n GLY 102 Ca 0.13 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1yda n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yda s GLN 103 N -1.09 1.07 0.00 1.61 -2.07 -1.22 -4.71 119.66 113.25 1yda s GLN 103 Ca 0.34 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.67 1yda s GLN 103 Cb 0.18 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1yda s GLN 103 CO 0.25 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1yda n GLY 104 N -0.17 3.33 3.76 2.60 0.00 -1.17 -3.52 105.19 110.02 1yda n GLY 104 Ca -0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1yda n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yda s SER 105 N 0.00 4.73 -0.14 1.61 1.04 -0.55 -3.72 113.70 116.67 1yda s SER 105 Ca 0.00 1.97 -0.08 0.00 0.48 0.00 0.00 55.95 58.31 1yda s SER 105 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1yda s SER 105 CO 0.00 -1.89 -0.17 -0.33 0.98 0.00 0.00 173.24 171.84 1yda h GLU 106 N -0.50 0.00 -6.94 4.02 5.08 -1.91 -3.46 114.58 110.87 1yda h GLU 106 Ca -0.45 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.43 1yda h GLU 106 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1yda h GLU 106 CO 0.52 0.00 0.39 -1.01 -1.00 0.00 0.00 179.01 177.91 1yda s HIS 107 N -2.19 3.42 0.35 4.33 3.76 -1.26 -4.31 115.29 119.39 1yda s HIS 107 Ca -0.14 1.69 0.07 0.00 -0.15 0.00 0.00 55.06 56.53 1yda s HIS 107 Cb 0.02 -3.06 -0.07 0.00 1.11 0.00 0.00 32.58 30.58 1yda s HIS 107 CO 0.20 -0.33 -0.02 0.95 -0.85 0.00 0.00 174.74 174.69 1yda s THR 108 N -1.65 1.85 -0.27 1.30 -4.23 -1.18 -4.80 115.64 106.66 1yda s THR 108 Ca 0.55 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1yda s THR 108 Cb -0.21 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1yda s THR 108 CO 0.26 -0.11 0.08 -0.69 -0.54 0.00 0.00 174.62 173.62 1yda s VAL 109 N -2.85 0.73 -1.24 2.29 1.01 -0.93 -1.02 120.40 118.39 1yda s VAL 109 Ca 0.34 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1yda s VAL 109 Cb 0.07 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1yda s VAL 109 CO 0.16 -0.52 1.07 0.47 0.00 0.00 0.00 175.10 176.27 1yda n ASP 110 N 4.93 -4.54 0.00 3.32 8.00 0.87 -2.17 116.55 126.96 1yda n ASP 110 Ca -0.05 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1yda n ASP 110 Cb 0.43 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1yda n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1yda n LYS 111 N -4.50 -0.40 -2.95 -1.24 4.76 -1.26 -4.98 118.16 107.59 1yda n LYS 111 Ca -0.11 0.10 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1yda n LYS 111 Cb 0.60 -3.63 -0.05 0.00 -1.84 0.00 0.00 35.03 30.11 1yda n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1yda s LYS 112 N -0.65 4.54 -0.11 1.97 2.20 -0.92 -5.02 119.74 121.75 1yda s LYS 112 Ca 0.00 1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1yda s LYS 112 Cb 0.00 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1yda s LYS 112 CO 0.00 0.38 -0.05 0.15 -0.36 0.00 0.00 175.35 175.46 1yda s LYS 113 N -0.43 3.20 0.41 4.03 1.02 -1.26 -2.19 119.74 124.52 1yda s LYS 113 Ca 0.38 -0.53 0.08 0.00 0.02 0.00 0.00 55.97 55.92 1yda s LYS 113 Cb -0.22 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1yda s LYS 113 CO 0.25 0.46 0.49 0.71 -0.92 0.00 0.00 175.35 176.33 1yda s TYR 114 N -0.25 2.79 0.59 3.18 2.02 -1.26 -4.67 117.35 119.75 1yda s TYR 114 Ca 0.04 -0.43 0.29 0.00 -0.37 0.00 0.00 57.07 56.61 1yda s TYR 114 Cb -0.13 -2.27 1.74 0.00 -0.40 0.00 0.00 41.96 40.90 1yda s TYR 114 CO 0.02 -0.27 2.17 0.00 -1.57 0.00 0.00 175.55 175.90 1yda h ALA 115 N 0.81 1.67 -2.13 3.71 0.00 -1.52 -1.44 119.26 120.36 1yda h ALA 115 Ca -0.41 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 54.78 1yda h ALA 115 Cb 1.27 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1yda h ALA 115 CO 0.50 -0.17 0.78 0.00 0.00 0.00 0.00 179.25 180.36 1yda s ALA 116 N -4.62 -2.13 -0.15 0.00 0.00 -1.21 -3.33 121.76 110.32 1yda s ALA 116 Ca -0.05 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1yda s ALA 116 Cb 0.15 0.74 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1yda s ALA 116 CO 0.54 -1.10 0.35 -2.00 0.00 0.00 0.00 175.76 173.55 1yda s GLU 117 N -2.20 0.31 -0.04 0.00 2.12 -0.46 -1.60 118.70 116.83 1yda s GLU 117 Ca 0.24 0.73 -0.23 0.00 0.36 0.00 0.00 54.97 56.07 1yda s GLU 117 Cb -0.00 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 1yda s GLU 117 CO 0.01 -0.18 0.67 -1.17 -0.54 0.00 0.00 175.26 174.05 1yda s LEU 118 N 1.55 4.36 -0.17 2.70 2.96 -0.18 -2.03 118.68 127.86 1yda s LEU 118 Ca -0.08 1.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1yda s LEU 118 Cb -0.10 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.58 1yda s LEU 118 CO -0.11 -0.04 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.77 1yda s HIS 119 N 0.42 2.21 -0.37 5.38 3.76 -0.28 -1.17 115.29 125.25 1yda s HIS 119 Ca 0.35 -1.36 -0.14 0.00 -0.15 0.00 0.00 55.06 53.77 1yda s HIS 119 Cb -0.18 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.93 1yda s HIS 119 CO 0.18 -0.69 0.26 -0.51 -0.85 0.00 0.00 174.74 173.13 1yda s LEU 120 N 1.47 4.74 0.02 0.89 1.43 -0.70 -2.03 118.68 124.49 1yda s LEU 120 Ca 0.02 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 1yda s LEU 120 Cb -0.15 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 1yda s LEU 120 CO -0.09 -0.32 0.40 -0.69 0.23 0.00 0.00 176.35 175.88 1yda s VAL 121 N 1.70 5.05 0.01 -1.59 1.01 -0.04 -2.53 120.40 124.01 1yda s VAL 121 Ca 0.06 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1yda s VAL 121 Cb -0.18 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1yda s VAL 121 CO 0.10 0.51 -0.03 -1.00 0.00 0.00 0.00 175.10 174.68 1yda s HIS 122 N -1.16 0.27 0.01 5.22 3.76 -0.93 -1.65 115.29 120.81 1yda s HIS 122 Ca 0.26 -0.15 0.08 0.00 -0.15 0.00 0.00 55.06 55.10 1yda s HIS 122 Cb -0.16 -0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 1yda s HIS 122 CO 0.14 -0.03 -0.23 1.67 -0.85 0.00 0.00 174.74 175.44 1yda s TRP 123 N -0.36 2.42 -0.01 1.40 1.48 -0.34 -2.06 118.94 121.46 1yda s TRP 123 Ca -0.02 -0.36 -0.30 0.00 -1.06 0.00 0.00 56.10 54.36 1yda s TRP 123 Cb -0.03 -1.48 -0.07 0.00 -1.16 0.00 0.00 33.47 30.73 1yda s TRP 123 CO -0.00 0.09 1.77 1.21 -4.06 0.00 0.00 176.95 175.97 1yda s ASN 124 N -0.97 6.58 0.34 -2.66 3.84 0.21 -0.40 114.94 121.88 1yda s ASN 124 Ca 0.12 2.42 0.25 0.00 0.21 0.00 0.00 52.86 55.85 1yda s ASN 124 Cb -0.10 -2.53 1.19 0.00 -0.55 0.00 0.00 41.25 39.25 1yda s ASN 124 CO 0.01 -0.97 1.76 0.71 -2.79 0.00 0.00 177.10 175.82 1yda h THR 125 N 5.56 0.00 -0.38 -5.21 1.35 -1.36 -1.21 112.91 111.66 1yda h THR 125 Ca -0.43 -0.16 0.09 0.00 -0.55 0.00 0.00 66.41 65.36 1yda h THR 125 Cb 1.20 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1yda h THR 125 CO 0.95 0.00 0.27 0.50 -0.25 0.00 0.00 175.52 176.99 1yda h LYS 127 N 0.00 0.12 -0.05 4.72 3.64 -1.91 -2.82 116.57 120.27 1yda h LYS 127 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1yda h LYS 127 Cb 0.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1yda h LYS 127 CO 0.00 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 1yda n TYR 128 N -4.45 0.05 0.00 1.91 4.01 -0.46 -4.97 117.16 113.25 1yda n TYR 128 Ca 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1yda n TYR 128 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1yda n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yda n GLY 129 N 1.16 1.78 3.61 2.72 0.00 -1.07 -4.48 105.19 108.91 1yda n GLY 129 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1yda n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yda s ASP 130 N 0.00 -0.39 0.37 1.61 1.47 -1.26 -5.04 116.67 113.43 1yda s ASP 130 Ca 0.00 -0.23 0.05 0.00 1.18 0.00 0.00 52.55 53.54 1yda s ASP 130 Cb 0.00 0.59 0.73 0.00 -0.34 0.00 0.00 42.92 43.90 1yda s ASP 130 CO 0.00 -1.02 2.01 0.15 0.68 0.00 0.00 175.17 176.99 1yda h PHE 131 N 2.00 0.71 -0.22 2.11 3.04 -1.94 -2.20 116.94 120.44 1yda h PHE 131 Ca -0.26 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.72 1yda h PHE 131 Cb 1.27 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1yda h PHE 131 CO 0.31 0.43 0.08 0.78 -2.02 0.00 0.00 178.31 177.89 1yda h GLY 132 N 0.75 0.28 1.62 2.40 0.00 -1.96 -2.07 103.07 104.09 1yda h GLY 132 Ca 0.23 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 1yda h GLY 132 CO -0.06 0.03 -0.67 0.50 0.00 0.00 0.00 176.54 176.34 1yda h LYS 133 N 0.19 0.38 -0.94 4.80 1.79 -1.76 -3.26 116.57 117.77 1yda h LYS 133 Ca 0.10 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1yda h LYS 133 Cb 0.06 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 1yda h LYS 133 CO -0.09 0.92 0.61 0.00 -1.08 0.00 0.00 179.45 179.80 1yda h ALA 134 N 1.01 1.47 0.00 3.86 0.00 -0.85 0.47 119.26 125.21 1yda h ALA 134 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yda h ALA 134 Cb 1.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1yda h ALA 134 CO 0.11 0.40 0.00 1.33 0.00 0.00 0.00 179.25 181.09 1yda n VAL 135 N -4.49 0.00 -0.84 0.00 0.24 -0.83 -2.02 118.33 110.40 1yda n VAL 135 Ca 0.14 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.52 1yda n VAL 135 Cb 0.18 -0.19 0.38 0.00 -1.47 0.00 0.00 33.84 32.74 1yda n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yda n GLN 136 N -0.31 4.40 -4.01 7.34 6.02 0.15 -4.97 117.38 126.01 1yda n GLN 136 Ca 0.00 -3.06 -0.13 0.00 -0.01 0.00 0.00 57.00 53.81 1yda n GLN 136 Cb 0.07 -2.12 -0.13 0.00 1.02 0.00 0.00 30.24 29.07 1yda n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1yda s GLN 137 N -2.52 0.28 0.54 -1.09 -1.52 -0.85 -5.04 119.66 109.46 1yda s GLN 137 Ca 0.52 -0.32 0.32 0.00 -1.95 0.00 0.00 55.36 53.94 1yda s GLN 137 Cb 0.38 -0.15 1.32 0.00 -0.22 0.00 0.00 33.01 34.35 1yda s GLN 137 CO 0.18 0.03 1.97 -1.00 -0.25 0.00 0.00 175.29 176.22 1yda h PRO 138 N 5.50 0.00 -0.21 2.91 0.13 -1.86 -2.72 132.00 135.75 1yda h PRO 138 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1yda h PRO 138 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1yda h PRO 138 CO 0.47 0.03 -0.22 -0.40 -0.23 0.00 0.00 178.00 177.64 1yda n ASP 139 N -3.14 2.25 0.07 1.44 5.75 -1.26 -4.41 116.55 117.26 1yda n ASP 139 Ca 0.00 -3.76 -0.03 0.00 -0.01 0.00 0.00 54.79 50.99 1yda n ASP 139 Cb 0.32 -0.59 0.20 0.00 -1.03 0.00 0.00 41.12 40.02 1yda n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1yda h GLY 140 N 0.99 0.33 -2.66 6.12 0.00 -1.33 -3.43 103.07 103.09 1yda h GLY 140 Ca 0.12 -0.32 -0.36 0.00 0.00 0.00 0.00 47.33 46.78 1yda h GLY 140 CO 0.23 0.29 -0.70 1.08 0.00 0.00 0.00 176.54 177.44 1yda s LEU 141 N -8.30 2.43 -0.11 3.11 1.43 -0.82 -0.62 118.68 115.80 1yda s LEU 141 Ca -0.05 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 51.93 1yda s LEU 141 Cb 0.13 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 46.05 1yda s LEU 141 CO 0.78 -0.37 0.23 0.00 0.23 0.00 0.00 176.35 177.22 1yda s ALA 142 N -3.32 -0.46 -0.17 4.21 0.00 -0.87 -1.64 121.76 119.51 1yda s ALA 142 Ca 0.21 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 53.03 1yda s ALA 142 Cb 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1yda s ALA 142 CO 0.04 -0.48 -0.15 0.08 0.00 0.00 0.00 175.76 175.25 1yda s VAL 143 N 2.01 2.56 -0.21 0.00 1.01 -0.96 -2.18 120.40 122.62 1yda s VAL 143 Ca -0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1yda s VAL 143 Cb -0.12 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1yda s VAL 143 CO -0.08 0.51 0.63 -0.22 0.00 0.00 0.00 175.10 175.95 1yda s LEU 144 N 1.06 4.13 -0.06 3.92 0.20 -1.05 -1.84 118.68 125.05 1yda s LEU 144 Ca -0.01 0.82 0.03 0.00 0.69 0.00 0.00 54.13 55.67 1yda s LEU 144 Cb -0.14 -2.89 -0.02 0.00 -0.43 0.00 0.00 46.19 42.70 1yda s LEU 144 CO -0.04 -0.29 -0.14 -0.83 -0.29 0.00 0.00 176.35 174.75 1yda s GLY 145 N 1.24 1.53 -0.03 7.98 0.00 0.20 -1.72 107.32 116.53 1yda s GLY 145 Ca 0.28 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1yda s GLY 145 CO 0.10 -0.72 -0.02 -0.42 0.00 0.00 0.00 173.10 172.04 1yda s ILE 146 N -0.64 0.28 0.12 0.90 1.01 -0.31 -1.53 121.20 121.03 1yda s ILE 146 Ca 0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 1yda s ILE 146 Cb -0.11 -0.34 -0.07 0.00 0.01 0.00 0.00 42.46 41.95 1yda s ILE 146 CO 0.01 0.15 0.65 -0.36 0.00 0.00 0.00 174.94 175.39 1yda s PHE 147 N 0.77 3.80 -0.14 3.97 0.08 -1.26 -1.01 117.98 124.19 1yda s PHE 147 Ca -0.08 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.32 1yda s PHE 147 Cb -0.12 -2.58 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1yda s PHE 147 CO -0.01 0.53 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.06 1yda s LEU 148 N -1.29 3.08 0.26 -0.37 1.02 -0.63 -1.04 118.68 119.71 1yda s LEU 148 Ca 0.33 -0.18 0.10 0.00 0.02 0.00 0.00 54.13 54.40 1yda s LEU 148 Cb -0.20 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1yda s LEU 148 CO 0.21 0.18 -0.03 -1.59 0.02 0.00 0.00 176.35 175.14 1yda s LYS 149 N 0.28 2.21 -0.33 1.70 -2.85 0.77 -2.23 119.74 119.29 1yda s LYS 149 Ca -0.05 -1.44 -0.20 0.00 -1.00 0.00 0.00 55.97 53.28 1yda s LYS 149 Cb -0.15 -2.12 -0.01 0.00 -2.06 0.00 0.00 37.83 33.50 1yda s LYS 149 CO 0.04 0.37 0.61 0.08 0.10 0.00 0.00 175.35 176.55 1yda s VAL 150 N -2.29 4.94 0.00 1.79 1.01 -1.26 -1.31 120.40 123.28 1yda s VAL 150 Ca 0.31 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1yda s VAL 150 Cb -0.06 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1yda s VAL 150 CO 0.19 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1yda n GLY 151 N 4.56 2.09 3.82 4.51 0.00 0.99 -4.91 105.19 116.25 1yda n GLY 151 Ca -0.02 0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1yda n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yda s SER 152 N 1.97 6.94 0.41 1.61 0.01 -1.26 -3.75 113.70 119.63 1yda s SER 152 Ca 0.00 1.63 -0.25 0.00 1.31 0.00 0.00 55.95 58.64 1yda s SER 152 Cb 0.00 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1yda s SER 152 CO 0.00 -0.31 1.17 0.00 0.41 0.00 0.00 173.24 174.51 1yda s ALA 153 N -2.11 3.13 -0.46 1.44 0.00 -1.26 -2.57 121.76 119.93 1yda s ALA 153 Ca 0.60 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.34 1yda s ALA 153 Cb -0.10 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1yda s ALA 153 CO 0.14 -0.56 0.58 0.21 0.00 0.00 0.00 175.76 176.13 1yda s LYS 154 N -2.36 3.17 0.18 0.00 2.47 -1.25 -4.81 119.74 117.14 1yda s LYS 154 Ca 0.58 -0.68 -0.20 0.00 -1.56 0.00 0.00 55.97 54.10 1yda s LYS 154 Cb -0.31 -4.01 0.11 0.00 -1.46 0.00 0.00 37.83 32.16 1yda s LYS 154 CO 0.38 -1.05 1.60 -1.35 0.16 0.00 0.00 175.35 175.10 1yda h PRO 155 N 8.88 -0.17 0.00 4.03 0.11 -1.92 0.83 132.00 143.76 1yda h PRO 155 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1yda h PRO 155 Cb 1.10 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1yda h PRO 155 CO 0.89 -0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1yda n GLY 156 N -1.42 -0.88 0.12 -0.55 0.00 -1.26 -1.46 105.19 99.73 1yda n GLY 156 Ca 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1yda n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yda h LEU 157 N 0.00 0.00 -1.01 0.99 5.85 -1.10 -3.40 115.31 116.64 1yda h LEU 157 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1yda h LEU 157 Cb 0.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1yda h LEU 157 CO 0.00 0.02 0.41 -0.61 -0.34 0.00 0.00 178.44 177.93 1yda h GLN 158 N 0.00 1.11 -0.24 1.25 5.75 -1.25 -2.07 115.11 119.67 1yda h GLN 158 Ca 0.00 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1yda h GLN 158 Cb 0.94 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1yda h GLN 158 CO 0.00 0.83 0.23 0.87 -2.65 0.00 0.00 178.83 178.11 1yda h LYS 159 N 1.11 0.00 0.02 1.69 1.57 -1.80 -0.83 116.57 118.34 1yda h LYS 159 Ca 0.28 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1yda h LYS 159 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1yda h LYS 159 CO -0.04 0.00 -0.36 0.28 -0.57 0.00 0.00 179.45 178.76 1yda h VAL 160 N 0.00 1.59 -0.09 0.50 2.07 -1.67 -3.16 116.25 115.50 1yda h VAL 160 Ca 0.11 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.32 1yda h VAL 160 Cb 0.56 3.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.45 1yda h VAL 160 CO -0.00 0.58 -0.18 0.58 0.02 0.00 0.00 177.57 178.57 1yda h VAL 161 N -0.89 0.55 -0.90 2.57 2.07 -1.14 -2.85 116.25 115.65 1yda h VAL 161 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1yda h VAL 161 Cb 1.16 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1yda h VAL 161 CO -0.01 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.60 1yda h ASP 162 N -0.25 0.94 0.46 0.57 3.32 -1.27 -2.10 116.42 118.09 1yda h ASP 162 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1yda h ASP 162 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1yda h ASP 162 CO -0.23 0.63 0.00 1.62 -1.72 0.00 0.00 179.24 179.53 1yda h VAL 163 N 1.09 0.00 -0.26 -1.35 3.04 -1.47 -3.29 116.25 114.01 1yda h VAL 163 Ca 0.37 -0.21 0.07 0.00 -1.01 0.00 0.00 66.70 65.93 1yda h VAL 163 Cb 0.08 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1yda h VAL 163 CO -0.14 0.00 0.19 -0.07 -1.01 0.00 0.00 177.57 176.54 1yda h LEU 164 N 0.00 0.00 -1.82 3.16 3.38 -1.30 0.14 115.31 118.87 1yda h LEU 164 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1yda h LEU 164 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1yda h LEU 164 CO 0.00 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 178.83 1yda h ASP 165 N 0.00 0.00 0.91 -0.43 5.19 -1.80 -1.57 116.42 118.72 1yda h ASP 165 Ca 0.12 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1yda h ASP 165 Cb 0.50 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1yda h ASP 165 CO -0.00 0.14 -0.09 0.28 -3.12 0.00 0.00 179.24 176.45 1yda h SER 166 N 0.00 0.00 -0.14 6.45 0.02 -0.99 -3.27 113.55 115.62 1yda h SER 166 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1yda h SER 166 Cb 0.35 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.69 1yda h SER 166 CO 0.02 0.09 -0.75 2.30 -1.14 0.00 0.00 176.83 177.35 1yda n ILE 167 N -3.24 1.54 -0.34 3.27 -5.35 -0.62 -4.73 119.36 109.89 1yda n ILE 167 Ca 0.00 -2.70 0.30 0.00 -0.27 0.00 0.00 62.75 60.08 1yda n ILE 167 Cb 0.34 0.12 0.64 0.00 -1.74 0.00 0.00 39.64 39.00 1yda n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1yda h LYS 168 N 1.29 0.18 -5.83 6.28 3.64 -1.54 -3.42 116.57 117.17 1yda h LYS 168 Ca -0.03 -0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.83 1yda h LYS 168 Cb 1.36 -0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 1yda h LYS 168 CO 0.15 0.12 -0.75 0.95 -2.27 0.00 0.00 179.45 177.65 1yda s THR 169 N -5.22 2.01 -0.01 1.00 -4.23 -1.26 -0.95 115.64 106.98 1yda s THR 169 Ca -0.07 -2.26 -0.37 0.00 -1.18 0.00 0.00 61.69 57.82 1yda s THR 169 Cb 0.25 -2.12 -0.15 0.00 1.34 0.00 0.00 72.50 71.81 1yda s THR 169 CO 0.80 -0.50 1.55 1.17 -0.54 0.00 0.00 174.62 177.10 1yda n LYS 170 N -0.41 1.45 0.00 3.99 4.81 0.18 -1.47 118.16 126.72 1yda n LYS 170 Ca -0.07 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1yda n LYS 170 Cb 0.60 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1yda n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yda n GLY 171 N 3.32 3.11 3.76 3.14 0.00 22.81 -4.46 105.19 136.86 1yda n GLY 171 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1yda n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yda s LYS 172 N -0.40 3.33 0.38 1.61 -0.14 -0.54 -4.83 119.74 119.15 1yda s LYS 172 Ca 0.00 2.32 0.04 0.00 -1.36 0.00 0.00 55.97 56.97 1yda s LYS 172 Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1yda s LYS 172 CO 0.00 -1.07 0.13 -1.54 -0.76 0.00 0.00 175.35 172.11 1yda s SER 173 N -0.77 2.48 -0.26 2.83 1.04 -1.26 -1.87 113.70 115.89 1yda s SER 173 Ca 0.68 -1.62 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 1yda s SER 173 Cb -0.42 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.18 1yda s SER 173 CO 0.52 -0.89 0.63 0.00 0.98 0.00 0.00 173.24 174.48 1yda s ALA 174 N -3.30 -1.71 0.32 5.32 0.00 -0.32 -4.80 121.76 117.27 1yda s ALA 174 Ca 0.28 2.25 -0.28 0.00 0.00 0.00 0.00 51.96 54.21 1yda s ALA 174 Cb 0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 23.12 21.70 1yda s ALA 174 CO 0.16 -0.36 1.28 -0.25 0.00 0.00 0.00 175.76 176.58 1yda n ASP 175 N 4.31 2.61 -3.13 0.00 8.00 -1.26 -1.64 116.55 125.43 1yda n ASP 175 Ca -0.21 1.20 -0.12 0.00 0.71 0.00 0.00 54.79 56.36 1yda n ASP 175 Cb 0.58 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 1yda n ASP 175 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1yda s PHE 176 N -0.94 -0.61 0.31 1.24 5.36 -0.24 -4.76 117.98 118.33 1yda s PHE 176 Ca 0.57 -0.98 0.07 0.00 -0.96 0.00 0.00 56.93 55.63 1yda s PHE 176 Cb -0.59 -0.18 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 1yda s PHE 176 CO 0.60 -1.07 0.38 0.95 -1.46 0.00 0.00 175.22 174.61 1yda s THR 177 N 0.92 4.17 -1.46 0.12 -4.23 -1.25 -2.56 115.64 111.36 1yda s THR 177 Ca 0.26 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 1yda s THR 177 Cb -0.03 -3.43 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1yda s THR 177 CO -0.08 -0.21 0.73 0.59 -0.54 0.00 0.00 174.62 175.11 1yda n ASN 178 N -1.48 -5.41 -4.74 3.99 4.13 -1.25 -4.93 115.26 105.57 1yda n ASN 178 Ca -0.03 -0.43 -0.37 0.00 1.68 0.00 0.00 54.58 55.43 1yda n ASN 178 Cb 0.58 -4.36 -0.07 0.00 -1.54 0.00 0.00 39.78 34.40 1yda n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1yda s PHE 179 N -3.16 3.50 -0.34 3.10 5.36 -1.26 -5.01 117.98 120.17 1yda s PHE 179 Ca 0.43 0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 57.03 1yda s PHE 179 Cb -0.20 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1yda s PHE 179 CO 0.53 0.26 0.15 0.34 -1.46 0.00 0.00 175.22 175.04 1yda s ASP 180 N 0.35 5.51 0.52 6.13 -1.08 -1.26 -4.33 116.67 122.51 1yda s ASP 180 Ca 0.20 -0.90 0.30 0.00 -0.52 0.00 0.00 52.55 51.63 1yda s ASP 180 Cb -0.14 -1.96 1.37 0.00 -1.46 0.00 0.00 42.92 40.73 1yda s ASP 180 CO 0.07 -0.31 2.00 1.55 0.52 0.00 0.00 175.17 179.00 1yda h PRO 181 N 8.34 0.00 -0.60 4.34 0.13 -1.96 -2.63 132.00 139.62 1yda h PRO 181 Ca -0.27 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.03 1yda h PRO 181 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1yda h PRO 181 CO 0.63 0.10 0.58 0.00 -0.23 0.00 0.00 178.00 179.09 1yda h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.94 0.79 114.38 117.17 1yda h ARG 182 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yda h ARG 182 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1yda h ARG 182 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1yda n GLY 183 N -1.57 -1.00 0.32 0.04 0.00 -0.99 -2.02 105.19 99.97 1yda n GLY 183 Ca 0.12 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1yda n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yda n LEU 184 N -1.46 1.56 -4.75 0.99 4.77 0.27 -4.39 117.00 113.99 1yda n LEU 184 Ca 0.04 -0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 1yda n LEU 184 Cb 0.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1yda n LEU 184 CO 0.14 0.31 0.70 -0.76 -1.33 0.00 0.00 177.39 176.44 1yda s LEU 185 N -2.37 4.58 1.16 2.23 1.43 -0.86 -4.92 118.68 119.93 1yda s LEU 185 Ca 0.13 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 1yda s LEU 185 Cb 0.15 -3.61 0.27 0.00 0.03 0.00 0.00 46.19 43.02 1yda s LEU 185 CO 0.54 0.01 1.08 -2.16 0.23 0.00 0.00 176.35 176.04 1yda s PRO 186 N -0.87 -0.88 0.23 1.29 0.04 -1.26 -4.96 135.00 128.60 1yda s PRO 186 Ca 0.44 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.69 1yda s PRO 186 Cb -0.27 -1.61 0.26 0.00 0.04 0.00 0.00 34.50 32.92 1yda s PRO 186 CO 0.33 -3.54 1.63 1.49 0.04 0.00 0.00 177.00 176.95 1yda h GLU 187 N -2.47 0.58 -5.86 4.56 4.81 -1.92 -3.43 114.58 110.85 1yda h GLU 187 Ca -0.50 -0.26 -0.67 0.00 -0.13 0.00 0.00 59.36 57.80 1yda h GLU 187 Cb 1.32 -0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.49 1yda h GLU 187 CO 0.43 0.84 -0.69 0.45 -0.73 0.00 0.00 179.01 179.31 1yda s SER 188 N -6.82 4.70 -0.26 1.04 0.15 -1.26 -5.01 113.70 106.23 1yda s SER 188 Ca -0.08 -0.05 0.12 0.00 0.70 0.00 0.00 55.95 56.64 1yda s SER 188 Cb 0.13 -1.38 0.76 0.00 -1.71 0.00 0.00 66.02 63.81 1yda s SER 188 CO 0.82 0.30 1.71 0.18 1.20 0.00 0.00 173.24 177.45 1yda n LEU 189 N 2.63 5.65 -4.67 3.45 4.77 -1.26 -4.61 117.00 122.95 1yda n LEU 189 Ca -0.18 -2.89 -0.42 0.00 -0.03 0.00 0.00 56.01 52.48 1yda n LEU 189 Cb 0.53 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1yda n LEU 189 CO 0.29 0.67 1.25 -1.81 -1.33 0.00 0.00 177.39 176.45 1yda s ASP 190 N -0.80 6.76 0.28 -1.43 1.01 -1.26 -4.74 116.67 116.49 1yda s ASP 190 Ca 0.52 2.15 0.08 0.00 0.71 0.00 0.00 52.55 56.01 1yda s ASP 190 Cb 0.40 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.73 1yda s ASP 190 CO 0.14 -0.83 -0.09 -0.72 0.21 0.00 0.00 175.17 173.88 1yda s TYR 191 N 3.26 2.02 0.12 4.23 1.13 -1.26 -0.40 117.35 126.46 1yda s TYR 191 Ca 0.68 -0.61 0.09 0.00 -1.41 0.00 0.00 57.07 55.82 1yda s TYR 191 Cb -0.32 -1.10 -0.04 0.00 -1.10 0.00 0.00 41.96 39.41 1yda s TYR 191 CO 0.27 0.39 -0.18 -1.58 -2.51 0.00 0.00 175.55 171.94 1yda s TRP 192 N -2.89 2.53 -0.02 -3.49 0.51 -0.39 -1.35 118.94 113.84 1yda s TRP 192 Ca 0.29 -0.26 -0.11 0.00 -2.12 0.00 0.00 56.10 53.89 1yda s TRP 192 Cb 0.02 -1.34 0.02 0.00 -0.81 0.00 0.00 33.47 31.35 1yda s TRP 192 CO 0.12 0.39 0.24 -0.08 -0.51 0.00 0.00 176.95 177.11 1yda s THR 193 N -1.16 0.06 0.03 2.01 -1.32 -0.90 -0.97 115.64 113.38 1yda s THR 193 Ca 0.18 -0.47 -0.27 0.00 -1.21 0.00 0.00 61.69 59.92 1yda s THR 193 Cb -0.10 -0.51 0.09 0.00 -1.51 0.00 0.00 72.50 70.47 1yda s THR 193 CO 0.10 -0.26 0.81 -0.72 -2.21 0.00 0.00 174.62 172.35 1yda s TYR 194 N -1.08 -0.41 0.10 9.09 1.13 -0.99 -2.31 117.35 122.88 1yda s TYR 194 Ca -0.12 0.30 -0.30 0.00 -1.41 0.00 0.00 57.07 55.54 1yda s TYR 194 Cb -0.05 0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 41.28 1yda s TYR 194 CO 0.03 -0.61 1.02 -1.25 -2.51 0.00 0.00 175.55 172.22 1yda s PRO 195 N -3.09 4.63 0.00 -3.49 0.04 -1.26 -1.31 135.00 130.51 1yda s PRO 195 Ca 0.03 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1yda s PRO 195 Cb -0.01 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1yda s PRO 195 CO -0.09 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1yda n GLY 196 N 2.40 3.74 3.23 0.56 0.00 0.47 -4.81 105.19 110.78 1yda n GLY 196 Ca 0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1yda n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yda s SER 197 N 1.78 0.77 0.38 1.61 1.04 -0.98 -2.28 113.70 116.01 1yda s SER 197 Ca 0.00 -1.29 -0.28 0.00 0.48 0.00 0.00 55.95 54.86 1yda s SER 197 Cb 0.00 0.23 -0.11 0.00 0.10 0.00 0.00 66.02 66.24 1yda s SER 197 CO 0.00 -0.71 1.45 -1.61 0.98 0.00 0.00 173.24 173.35 1yda s GLU 198 N -4.04 4.12 0.00 4.02 2.02 -0.63 -4.45 118.70 119.73 1yda s GLU 198 Ca 0.32 2.50 0.19 0.00 0.02 0.00 0.00 54.97 58.00 1yda s GLU 198 Cb 0.07 -2.96 0.54 0.00 0.10 0.00 0.00 34.13 31.88 1yda s GLU 198 CO 0.08 -0.50 1.44 0.25 0.02 0.00 0.00 175.26 176.55 1yda n THR 199 N 0.46 0.49 -4.73 3.63 -2.24 -1.26 -4.35 114.28 106.29 1yda n THR 199 Ca 0.01 -0.60 -0.26 0.00 -2.27 0.00 0.00 64.05 60.93 1yda n THR 199 Cb 0.40 0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 69.01 1yda n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1yda s THR 200 N -1.51 1.70 0.17 4.28 -4.23 -1.26 -4.70 115.64 110.10 1yda s THR 200 Ca 0.35 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 1yda s THR 200 Cb 0.19 -1.47 -0.17 0.00 1.34 0.00 0.00 72.50 72.39 1yda s THR 200 CO 0.26 0.26 0.59 -2.65 -0.54 0.00 0.00 174.62 172.55 1yda n PRO 201 N 1.96 0.00 0.00 3.99 -0.02 -1.26 -1.70 135.00 137.97 1yda n PRO 201 Ca -0.17 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1yda n PRO 201 Cb 0.53 -1.06 0.20 0.00 -0.02 0.00 0.00 33.50 33.15 1yda n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yda n PRO 202 N 1.06 0.63 -2.48 0.52 -0.05 -1.26 -4.99 135.00 128.43 1yda n PRO 202 Ca 0.18 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.50 1yda n PRO 202 Cb 0.23 -1.17 -0.01 0.00 -0.05 0.00 0.00 33.50 32.51 1yda n PRO 202 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1yda n LEU 203 N -0.67 -1.18 -4.72 1.53 4.77 -0.69 -4.87 117.00 111.18 1yda n LEU 203 Ca 0.05 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1yda n LEU 203 Cb 0.02 -2.15 -0.03 0.00 -2.33 0.00 0.00 43.42 38.93 1yda n LEU 203 CO 0.04 -0.11 1.31 0.18 -1.33 0.00 0.00 177.39 177.47 1yda n LEU 204 N -2.85 3.99 -4.34 2.23 4.77 -1.26 -4.39 117.00 115.14 1yda n LEU 204 Ca -0.14 1.09 -0.43 0.00 -0.03 0.00 0.00 56.01 56.50 1yda n LEU 204 Cb 0.61 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1yda n LEU 204 CO 0.19 0.11 1.89 -0.62 -1.33 0.00 0.00 177.39 177.62 1yda n GLU 205 N 3.36 3.26 0.00 3.23 1.02 -1.26 -1.61 120.64 128.63 1yda n GLU 205 Ca 0.14 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 53.88 1yda n GLU 205 Cb 0.35 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 1yda n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yda s VAL 207 N -0.03 4.32 -0.35 0.00 1.01 -0.97 -1.95 120.40 122.43 1yda s VAL 207 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1yda s VAL 207 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1yda s VAL 207 CO 0.00 0.53 0.38 -0.89 0.00 0.00 0.00 175.10 175.12 1yda s THR 208 N -0.14 5.15 0.22 3.92 2.01 -0.65 -0.39 115.64 125.76 1yda s THR 208 Ca 0.05 -0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1yda s THR 208 Cb -0.13 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 1yda s THR 208 CO 0.02 -0.14 0.53 0.26 -0.69 0.00 0.00 174.62 174.60 1yda s TRP 209 N 2.04 3.43 -0.29 4.92 0.52 -0.43 -2.27 118.94 126.86 1yda s TRP 209 Ca 0.12 0.84 -0.01 0.00 0.02 0.00 0.00 56.10 57.07 1yda s TRP 209 Cb -0.17 -2.23 0.13 0.00 -1.15 0.00 0.00 33.47 30.05 1yda s TRP 209 CO 0.12 0.28 0.27 0.42 0.02 0.00 0.00 176.95 178.06 1yda s ILE 210 N -1.81 -0.35 -0.22 2.03 1.01 -0.77 -2.35 121.20 118.75 1yda s ILE 210 Ca 0.47 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1yda s ILE 210 Cb -0.11 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1yda s ILE 210 CO 0.22 -0.52 0.12 -0.69 0.00 0.00 0.00 174.94 174.07 1yda s VAL 211 N 2.29 5.09 0.32 2.92 1.01 -0.14 -0.63 120.40 131.26 1yda s VAL 211 Ca 0.10 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1yda s VAL 211 Cb -0.14 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1yda s VAL 211 CO -0.33 0.38 0.72 -0.76 0.00 0.00 0.00 175.10 175.11 1yda s LEU 212 N 0.89 4.06 0.16 3.92 2.01 -0.58 -1.27 118.68 127.87 1yda s LEU 212 Ca 0.06 1.24 0.02 0.00 0.01 0.00 0.00 54.13 55.46 1yda s LEU 212 Cb -0.13 -4.05 -0.04 0.00 0.01 0.00 0.00 46.19 41.99 1yda s LEU 212 CO 0.03 -0.20 1.36 0.50 1.01 0.00 0.00 176.35 179.04 1yda h LYS 213 N 2.22 0.20 -5.24 1.70 3.64 -1.03 -3.43 116.57 114.63 1yda h LYS 213 Ca -0.48 -0.23 -0.65 0.00 -1.27 0.00 0.00 60.65 58.02 1yda h LYS 213 Cb 1.17 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.91 1yda h LYS 213 CO 0.66 0.97 -0.02 -2.00 -2.27 0.00 0.00 179.45 176.79 1yda s GLU 214 N -3.16 3.44 0.56 1.90 2.12 -1.26 -5.04 118.70 117.28 1yda s GLU 214 Ca -0.03 -0.30 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 1yda s GLU 214 Cb 0.10 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 1yda s GLU 214 CO 0.83 -0.78 1.17 -2.14 -0.54 0.00 0.00 175.26 173.80 1yda s PRO 215 N 2.49 3.18 0.25 4.30 0.02 -1.26 -4.65 135.00 139.33 1yda s PRO 215 Ca 0.19 1.73 -0.04 0.00 0.02 0.00 0.00 61.00 62.90 1yda s PRO 215 Cb -0.15 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 1yda s PRO 215 CO 0.15 -1.02 0.50 0.96 -0.33 0.00 0.00 177.00 177.26 1yda s ILE 216 N -1.67 5.08 0.05 2.83 -4.36 -0.20 -4.93 121.20 118.00 1yda s ILE 216 Ca 0.75 -0.06 0.02 0.00 -0.26 0.00 0.00 60.65 61.10 1yda s ILE 216 Cb -0.27 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.67 1yda s ILE 216 CO 0.30 -0.25 0.07 -0.94 0.24 0.00 0.00 174.94 174.36 1yda s SER 217 N -3.11 5.55 0.22 4.36 1.04 -1.26 -0.16 113.70 120.34 1yda s SER 217 Ca 0.42 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.94 1yda s SER 217 Cb -0.11 -1.52 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1yda s SER 217 CO 0.29 0.21 -0.05 0.68 0.98 0.00 0.00 173.24 175.35 1yda s VAL 218 N -1.30 1.32 0.53 5.02 -7.23 -0.43 -3.84 120.40 114.47 1yda s VAL 218 Ca 0.27 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1yda s VAL 218 Cb -0.12 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1yda s VAL 218 CO 0.19 -0.43 0.83 -0.94 -0.31 0.00 0.00 175.10 174.43 1yda s SER 219 N -3.32 5.87 0.28 4.85 1.04 -1.21 -0.01 113.70 121.21 1yda s SER 219 Ca 0.26 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 1yda s SER 219 Cb 0.04 -1.89 0.43 0.00 0.10 0.00 0.00 66.02 64.70 1yda s SER 219 CO 0.08 -0.84 1.91 -1.28 0.98 0.00 0.00 173.24 174.08 1yda h SER 220 N 0.04 1.01 0.37 7.02 0.87 -1.93 -0.95 113.55 119.97 1yda h SER 220 Ca -0.46 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.98 1yda h SER 220 Cb 1.24 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1yda h SER 220 CO 0.61 0.66 -0.50 1.05 -0.53 0.00 0.00 176.83 178.12 1yda h GLU 221 N 1.15 0.15 -0.49 2.24 9.09 -1.94 -0.50 114.58 124.27 1yda h GLU 221 Ca 0.40 -0.08 -0.06 0.00 0.05 0.00 0.00 59.36 59.66 1yda h GLU 221 Cb 0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 1yda h GLU 221 CO -0.14 0.61 0.06 1.96 0.05 0.00 0.00 179.01 181.55 1yda h GLN 222 N 0.12 0.83 0.00 1.06 4.20 -1.77 -3.05 115.11 116.50 1yda h GLN 222 Ca 0.00 -0.23 -0.18 0.00 0.06 0.00 0.00 58.65 58.30 1yda h GLN 222 Cb 0.92 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1yda h GLN 222 CO 0.07 0.84 -0.85 -0.24 -0.67 0.00 0.00 178.83 177.98 1yda h VAL 223 N 0.70 1.60 -0.97 -0.54 3.04 -1.04 -3.27 116.25 115.78 1yda h VAL 223 Ca 0.15 -2.94 0.20 0.00 -1.01 0.00 0.00 66.70 63.09 1yda h VAL 223 Cb 0.42 2.59 -0.11 0.00 -2.01 0.00 0.00 31.29 32.19 1yda h VAL 223 CO 0.01 0.84 0.56 -0.07 -1.01 0.00 0.00 177.57 177.90 1yda h LEU 224 N 0.00 0.68 -1.95 3.16 3.38 -1.03 -0.47 115.31 119.07 1yda h LEU 224 Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yda h LEU 224 Cb 1.53 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1yda h LEU 224 CO 0.11 0.21 -0.10 0.11 0.09 0.00 0.00 178.44 178.85 1yda h LYS 225 N 0.67 0.00 -0.44 1.13 1.57 -1.58 -1.42 116.57 116.51 1yda h LYS 225 Ca 0.57 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.29 1yda h LYS 225 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1yda h LYS 225 CO -0.41 0.10 0.05 0.74 -0.57 0.00 0.00 179.45 179.36 1yda h PHE 226 N 0.00 0.79 0.00 -1.35 -1.00 -1.21 -2.82 116.94 111.35 1yda h PHE 226 Ca -0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1yda h PHE 226 Cb 0.22 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1yda h PHE 226 CO 0.00 0.76 0.00 0.54 -1.61 0.00 0.00 178.31 178.00 1yda n ARG 227 N -4.45 0.71 0.10 1.51 1.74 -0.54 -2.73 116.66 112.99 1yda n ARG 227 Ca -0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1yda n ARG 227 Cb 0.26 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1yda n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1yda n LYS 228 N -0.99 0.61 -0.58 5.56 4.76 -1.06 -4.62 118.16 121.83 1yda n LYS 228 Ca 0.17 0.13 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 1yda n LYS 228 Cb 0.08 -1.82 0.26 0.00 -1.84 0.00 0.00 35.03 31.71 1yda n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1yda s LEU 229 N -5.38 0.17 0.01 -0.35 1.02 -1.10 -4.84 118.68 108.20 1yda s LEU 229 Ca -0.01 1.19 0.00 0.00 0.02 0.00 0.00 54.13 55.33 1yda s LEU 229 Cb 0.10 -2.93 -0.01 0.00 0.02 0.00 0.00 46.19 43.37 1yda s LEU 229 CO 0.79 -4.54 -0.02 0.20 0.02 0.00 0.00 176.35 172.80 1yda s ASN 230 N -2.89 0.15 0.04 2.29 0.02 -0.13 -1.24 114.94 113.18 1yda s ASN 230 Ca 0.68 -0.19 -0.24 0.00 -1.02 0.00 0.00 52.86 52.09 1yda s ASN 230 Cb -0.20 0.03 -0.17 0.00 0.02 0.00 0.00 41.25 40.93 1yda s ASN 230 CO 0.61 -0.10 1.54 -0.26 0.02 0.00 0.00 177.10 178.91 1yda h PHE 231 N 5.58 0.00 -4.17 2.20 0.04 -1.13 -3.33 116.94 116.12 1yda h PHE 231 Ca -0.27 -0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.96 1yda h PHE 231 Cb 1.21 -0.00 0.17 0.00 2.20 0.00 0.00 35.95 39.52 1yda h PHE 231 CO 0.50 0.21 0.40 0.54 -0.60 0.00 0.00 178.31 179.36 1yda s ASN 232 N -5.40 4.05 0.78 2.17 4.22 -1.26 -4.18 114.94 115.32 1yda s ASN 232 Ca -0.14 2.41 -0.12 0.00 -2.14 0.00 0.00 52.86 52.87 1yda s ASN 232 Cb 0.04 -2.59 0.06 0.00 1.28 0.00 0.00 41.25 40.04 1yda s ASN 232 CO 0.67 -2.37 1.10 -0.83 -2.04 0.00 0.00 177.10 173.63 1yda s GLY 233 N -1.96 1.62 0.48 0.45 0.00 -1.26 -1.31 107.32 105.34 1yda s GLY 233 Ca 0.75 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.97 1yda s GLY 233 CO 0.46 0.15 1.31 1.85 0.00 0.00 0.00 173.10 176.88 1yda s GLU 234 N -5.22 3.53 -1.12 2.90 2.12 -1.26 -2.81 118.70 116.83 1yda s GLU 234 Ca 0.60 2.14 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1yda s GLU 234 Cb -0.13 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1yda s GLU 234 CO 0.53 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 1yda n GLY 235 N 0.63 0.10 3.28 -1.50 0.00 -1.26 -5.03 105.19 101.40 1yda n GLY 235 Ca 0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1yda n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yda s GLU 236 N -4.37 1.14 0.52 1.61 2.02 -1.12 -5.13 118.70 113.36 1yda s GLU 236 Ca 0.00 -1.50 -0.20 0.00 0.02 0.00 0.00 54.97 53.29 1yda s GLU 236 Cb 0.00 -0.72 -0.10 0.00 0.10 0.00 0.00 34.13 33.41 1yda s GLU 236 CO 0.00 0.08 0.56 -2.30 0.02 0.00 0.00 175.26 173.62 1yda n PRO 237 N -0.25 0.59 -3.10 0.39 -0.02 -1.26 -4.90 135.00 126.45 1yda n PRO 237 Ca -0.09 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1yda n PRO 237 Cb 0.61 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 1yda n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1yda s GLU 238 N -1.92 4.12 -0.39 -0.52 2.12 -1.26 -4.76 118.70 116.09 1yda s GLU 238 Ca 0.67 0.58 -0.01 0.00 0.36 0.00 0.00 54.97 56.56 1yda s GLU 238 Cb -0.50 -3.64 0.11 0.00 0.26 0.00 0.00 34.13 30.36 1yda s GLU 238 CO 0.56 -0.41 0.16 -1.21 -0.54 0.00 0.00 175.26 173.82 1yda s GLU 239 N 2.48 1.85 0.02 4.30 2.02 -1.26 -5.07 118.70 123.04 1yda s GLU 239 Ca 0.27 -1.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 1yda s GLU 239 Cb -0.15 -3.48 -0.07 0.00 0.10 0.00 0.00 34.13 30.53 1yda s GLU 239 CO 0.08 -1.03 1.68 -0.51 0.02 0.00 0.00 175.26 175.50 1yda s LEU 240 N 1.07 4.36 -0.84 1.80 1.43 -1.26 -0.65 118.68 124.59 1yda s LEU 240 Ca 0.09 2.40 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 1yda s LEU 240 Cb -0.22 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 1yda s LEU 240 CO -0.05 -0.92 2.03 -0.32 0.23 0.00 0.00 176.35 177.32 1yda s MET 241 N 3.40 2.38 0.09 1.70 -2.45 -0.37 -4.70 119.30 119.34 1yda s MET 241 Ca 0.75 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.19 1yda s MET 241 Cb -0.37 -4.92 -0.04 0.00 1.25 0.00 0.00 34.83 30.74 1yda s MET 241 CO 0.32 -3.50 -0.03 0.14 1.05 0.00 0.00 175.02 173.01 1yda s VAL 242 N 10.89 0.42 -1.26 10.11 -7.23 -1.26 -4.44 120.40 127.62 1yda s VAL 242 Ca 0.75 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.80 1yda s VAL 242 Cb -0.09 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.16 1yda s VAL 242 CO 0.04 -0.83 0.59 0.47 -0.31 0.00 0.00 175.10 175.06 1yda n ASP 243 N -0.01 -3.30 -3.11 4.85 8.00 -0.74 -4.87 116.55 117.37 1yda n ASP 243 Ca -0.11 -1.19 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 1yda n ASP 243 Cb 0.62 -2.26 0.03 0.00 -0.02 0.00 0.00 41.12 39.48 1yda n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1yda n ASN 244 N -2.48 7.32 -4.30 -2.24 6.94 -0.92 -4.89 115.26 114.69 1yda n ASN 244 Ca -0.16 -3.79 -0.26 0.00 -0.02 0.00 0.00 54.58 50.35 1yda n ASN 244 Cb 0.60 -1.06 -0.13 0.00 -2.36 0.00 0.00 39.78 36.83 1yda n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1yda s TRP 245 N -4.12 1.91 -0.17 -2.53 1.48 -1.26 -4.70 118.94 109.55 1yda s TRP 245 Ca 0.48 -0.40 -0.17 0.00 -1.06 0.00 0.00 56.10 54.95 1yda s TRP 245 Cb 0.36 -1.08 -0.04 0.00 -1.16 0.00 0.00 33.47 31.56 1yda s TRP 245 CO -0.32 0.19 0.47 0.50 -4.06 0.00 0.00 176.95 173.72 1yda s ARG 246 N -1.66 4.24 0.69 3.25 3.52 -1.26 -4.97 118.95 122.75 1yda s ARG 246 Ca 0.08 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.88 1yda s ARG 246 Cb -0.10 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1yda s ARG 246 CO 0.04 -0.01 0.87 -2.30 -0.81 0.00 0.00 175.30 173.09 1yda n PRO 247 N 4.31 0.56 -1.74 5.12 -0.02 -1.26 -4.64 135.00 137.32 1yda n PRO 247 Ca -0.07 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 1yda n PRO 247 Cb 0.51 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1yda n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yda n ALA 248 N -2.28 1.91 -2.79 3.55 0.00 -1.26 -4.37 120.51 115.26 1yda n ALA 248 Ca 0.13 0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.69 1yda n ALA 248 Cb 0.49 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1yda n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yda s GLN 249 N -2.04 2.95 0.19 0.00 -1.52 0.19 -4.92 119.66 114.51 1yda s GLN 249 Ca 0.55 -1.05 -0.31 0.00 -1.95 0.00 0.00 55.36 52.59 1yda s GLN 249 Cb -0.51 -2.59 -0.10 0.00 -0.22 0.00 0.00 33.01 29.59 1yda s GLN 249 CO 0.63 0.36 1.56 -2.14 -0.25 0.00 0.00 175.29 175.45 1yda s PRO 250 N -3.88 4.21 0.57 2.91 0.02 -1.26 -4.53 135.00 133.05 1yda s PRO 250 Ca 0.34 2.37 0.34 0.00 0.02 0.00 0.00 61.00 64.07 1yda s PRO 250 Cb -0.08 -3.14 1.68 0.00 0.02 0.00 0.00 34.50 32.98 1yda s PRO 250 CO 0.26 -0.59 2.12 1.25 -0.33 0.00 0.00 177.00 179.71 1yda h LEU 251 N 6.44 0.00 -2.60 -5.54 5.85 -1.94 -3.44 115.31 114.08 1yda h LEU 251 Ca -0.43 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.00 1yda h LEU 251 Cb 1.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.25 1yda h LEU 251 CO 0.89 0.05 -0.81 0.29 -0.34 0.00 0.00 178.44 178.53 1yda n LYS 252 N -3.32 -1.23 0.00 1.25 5.02 -1.26 -2.48 118.16 116.14 1yda n LYS 252 Ca -0.01 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1yda n LYS 252 Cb 0.22 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1yda n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1yda n ASN 253 N -0.25 0.00 -4.62 4.39 2.04 -1.26 -4.94 115.26 110.62 1yda n ASN 253 Ca -0.10 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.65 1yda n ASN 253 Cb 0.47 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.75 1yda n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1yda n ARG 254 N 0.00 1.10 -4.95 -3.83 1.74 -1.03 -5.02 116.66 104.66 1yda n ARG 254 Ca 0.00 0.41 -0.29 0.00 -0.77 0.00 0.00 57.85 57.21 1yda n ARG 254 Cb 0.00 -2.14 -0.15 0.00 -1.02 0.00 0.00 32.46 29.15 1yda n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1yda s GLN 255 N -2.50 1.74 -0.19 5.56 0.74 -1.26 -4.99 119.66 118.75 1yda s GLN 255 Ca 0.71 -0.95 -0.12 0.00 0.05 0.00 0.00 55.36 55.05 1yda s GLN 255 Cb -0.46 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 31.81 1yda s GLN 255 CO 0.51 0.48 0.24 0.42 -0.55 0.00 0.00 175.29 176.38 1yda s ILE 256 N -0.69 5.33 0.38 -2.34 1.01 -1.26 -4.83 121.20 118.80 1yda s ILE 256 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1yda s ILE 256 Cb -0.09 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1yda s ILE 256 CO 0.01 0.37 0.59 -0.54 0.00 0.00 0.00 174.94 175.37 1yda s LYS 257 N 0.69 3.35 0.02 2.79 1.02 -0.98 -0.64 119.74 126.00 1yda s LYS 257 Ca 0.13 -0.38 0.05 0.00 0.02 0.00 0.00 55.97 55.79 1yda s LYS 257 Cb -0.13 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1yda s LYS 257 CO 0.03 0.01 -0.15 0.00 -0.92 0.00 0.00 175.35 174.32 1yda s ALA 258 N -2.40 1.22 -1.77 5.17 0.00 -0.55 -2.12 121.76 121.31 1yda s ALA 258 Ca 0.43 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1yda s ALA 258 Cb -0.10 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 22.96 1yda s ALA 258 CO 0.37 0.26 1.07 -1.13 0.00 0.00 0.00 175.76 176.33 1yda n SER 259 N 2.15 1.22 0.00 0.00 3.41 -0.46 -1.68 113.62 118.26 1yda n SER 259 Ca -0.17 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1yda n SER 259 Cb 0.55 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1yda n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10