#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvb n HIS 4 N 0.00 1.47 -2.02 4.41 -0.00 -1.26 -5.08 115.22 112.74 2vvb n HIS 4 Ca 0.00 -1.84 -0.35 0.00 -0.00 0.00 0.00 57.72 55.53 2vvb n HIS 4 Cb 0.00 -0.27 0.03 0.00 -0.00 0.00 0.00 29.99 29.75 2vvb n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 2vvb s TRP 5 N -3.14 2.47 0.00 4.41 1.48 -1.26 -4.86 118.94 118.04 2vvb s TRP 5 Ca 0.41 1.53 0.00 0.00 -1.06 0.00 0.00 56.10 56.98 2vvb s TRP 5 Cb 0.38 -3.39 0.00 0.00 -1.16 0.00 0.00 33.47 29.30 2vvb s TRP 5 CO -0.03 -2.00 0.00 0.41 -4.06 0.00 0.00 176.95 171.27 2vvb n GLY 6 N 0.29 3.06 0.10 3.67 0.00 0.06 -5.02 105.19 107.34 2vvb n GLY 6 Ca 0.13 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2vvb n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vvb n TYR 7 N 0.00 0.00 -1.00 1.61 4.02 -1.26 -3.65 117.16 116.88 2vvb n TYR 7 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 2vvb n TYR 7 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 2vvb n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vvb n GLY 8 N -0.69 -0.66 0.20 2.72 0.00 -1.26 -4.73 105.19 100.77 2vvb n GLY 8 Ca 0.06 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.37 2vvb n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vvb h LYS 9 N 0.00 0.13 0.00 1.61 1.57 -2.00 -3.16 116.57 114.72 2vvb h LYS 9 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2vvb h LYS 9 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2vvb h LYS 9 CO 0.00 0.45 0.00 0.72 -0.57 0.00 0.00 179.45 180.05 2vvb n HIS 10 N -4.12 0.00 -1.59 -1.35 8.25 -1.26 -4.66 115.22 110.49 2vvb n HIS 10 Ca -0.01 -0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2vvb n HIS 10 Cb 0.39 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.52 2vvb n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2vvb n ASN 11 N -0.01 0.33 -3.52 0.41 6.94 -1.25 -4.97 115.26 113.19 2vvb n ASN 11 Ca 0.00 -1.88 -0.24 0.00 -0.02 0.00 0.00 54.58 52.43 2vvb n ASN 11 Cb 0.02 -0.17 0.18 0.00 -2.36 0.00 0.00 39.78 37.45 2vvb n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vvb n GLY 12 N -0.17 -1.75 0.42 4.83 0.00 -1.19 -0.76 105.19 106.57 2vvb n GLY 12 Ca 0.02 -1.65 0.24 0.00 0.00 0.00 0.00 46.02 44.62 2vvb n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vvb h PRO 13 N 0.00 0.32 0.00 1.61 0.11 -1.89 -0.17 132.00 131.98 2vvb h PRO 13 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2vvb h PRO 13 Cb 0.99 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2vvb h PRO 13 CO 0.24 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.30 2vvb h GLU 14 N 0.33 0.00 0.00 1.05 9.09 -1.95 -2.87 114.58 120.23 2vvb h GLU 14 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2vvb h GLU 14 Cb 1.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 2vvb h GLU 14 CO -0.22 0.00 -1.51 0.72 0.05 0.00 0.00 179.01 178.05 2vvb n HIS 15 N -3.07 0.46 -0.04 2.06 8.25 -0.08 -4.61 115.22 118.20 2vvb n HIS 15 Ca -0.02 0.13 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 2vvb n HIS 15 Cb 0.13 -0.71 0.55 0.00 1.12 0.00 0.00 29.99 31.07 2vvb n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2vvb h TRP 16 N 0.00 0.32 -0.08 4.41 6.55 -1.51 -2.18 115.95 123.47 2vvb h TRP 16 Ca 0.00 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.87 2vvb h TRP 16 Cb 0.99 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 29.19 2vvb h TRP 16 CO 0.00 0.15 0.07 1.12 -1.05 0.00 0.00 178.44 178.74 2vvb h HIS 17 N 0.30 0.00 0.01 0.49 2.07 -1.80 0.29 115.15 116.51 2vvb h HIS 17 Ca 0.25 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2vvb h HIS 17 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2vvb h HIS 17 CO -0.00 0.00 -0.00 0.87 -3.07 0.00 0.00 177.93 175.73 2vvb h LYS 18 N 0.00 -0.01 0.00 5.12 1.57 -1.74 -2.77 116.57 118.74 2vvb h LYS 18 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2vvb h LYS 18 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2vvb h LYS 18 CO -0.00 0.14 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.17 2vvb h ASP 19 N -0.16 0.00 -2.86 0.86 3.32 -1.69 -3.42 116.42 112.47 2vvb h ASP 19 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2vvb h ASP 19 Cb 0.15 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.31 2vvb h ASP 19 CO 0.00 0.26 -0.80 -0.36 -1.72 0.00 0.00 179.24 176.62 2vvb s PHE 20 N -3.09 1.93 0.59 4.55 0.40 0.07 -4.99 117.98 117.43 2vvb s PHE 20 Ca 0.04 -2.56 0.42 0.00 -0.60 0.00 0.00 56.93 54.24 2vvb s PHE 20 Cb 0.07 -1.63 2.26 0.00 0.51 0.00 0.00 43.02 44.23 2vvb s PHE 20 CO 0.72 -0.74 2.32 -1.00 0.70 0.00 0.00 175.22 177.22 2vvb h PRO 21 N 5.97 0.00 0.00 0.24 0.13 -1.74 -0.94 132.00 135.66 2vvb h PRO 21 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2vvb h PRO 21 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2vvb h PRO 21 CO 0.48 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.22 2vvb h ILE 22 N 0.00 0.00 -1.21 -3.56 2.10 -1.91 -2.38 117.51 110.55 2vvb h ILE 22 Ca -0.00 -0.05 0.35 0.00 1.08 0.00 0.00 64.86 66.24 2vvb h ILE 22 Cb 0.07 0.60 -0.05 0.00 -1.09 0.00 0.00 36.82 36.35 2vvb h ILE 22 CO 0.00 0.00 0.88 0.00 -1.08 0.00 0.00 178.15 177.95 2vvb h ALA 23 N 2.05 3.14 -0.52 0.18 0.00 -1.49 0.82 119.26 123.44 2vvb h ALA 23 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2vvb h ALA 23 Cb 0.07 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 2vvb h ALA 23 CO 0.00 -1.51 0.13 1.63 0.00 0.00 0.00 179.25 179.51 2vvb n LYS 24 N -4.13 2.52 0.00 0.00 5.02 -0.90 -4.97 118.16 115.71 2vvb n LYS 24 Ca 0.26 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 2vvb n LYS 24 Cb 1.28 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2vvb n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vvb n GLY 25 N -0.81 -1.07 0.08 0.72 0.00 0.28 -5.01 105.19 99.39 2vvb n GLY 25 Ca 0.37 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.84 2vvb n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vvb n GLU 26 N -0.79 0.23 -2.69 1.61 -0.58 -1.26 -4.41 120.64 112.74 2vvb n GLU 26 Ca 0.00 -0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.46 2vvb n GLU 26 Cb 0.00 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2vvb n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2vvb n ARG 27 N -1.25 1.45 -2.78 3.49 1.85 -1.26 -4.73 116.66 113.43 2vvb n ARG 27 Ca 0.06 -3.45 -0.30 0.00 -1.00 0.00 0.00 57.85 53.17 2vvb n ARG 27 Cb 0.35 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 2vvb n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2vvb s GLN 28 N -3.11 3.77 0.15 2.89 -1.52 -1.26 -2.77 119.66 117.80 2vvb s GLN 28 Ca 0.31 0.49 0.06 0.00 -1.95 0.00 0.00 55.36 54.28 2vvb s GLN 28 Cb 0.44 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.83 2vvb s GLN 28 CO -0.00 -0.08 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.70 2vvb s SER 29 N -3.25 2.15 0.91 5.90 0.01 -1.26 -4.68 113.70 113.47 2vvb s SER 29 Ca 0.52 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.74 2vvb s SER 29 Cb -0.10 -0.08 0.17 0.00 0.21 0.00 0.00 66.02 66.21 2vvb s SER 29 CO 0.33 -0.17 1.27 -2.16 0.41 0.00 0.00 173.24 172.91 2vvb s PRO 30 N -3.09 1.02 0.14 12.44 0.04 -1.26 -4.57 135.00 139.72 2vvb s PRO 30 Ca 0.14 -0.34 0.02 0.00 0.04 0.00 0.00 61.00 60.86 2vvb s PRO 30 Cb -0.03 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2vvb s PRO 30 CO 0.04 -2.16 -0.04 0.14 0.04 0.00 0.00 177.00 175.02 2vvb s VAL 31 N -3.76 0.78 0.12 -0.36 -7.23 -1.26 -0.26 120.40 108.43 2vvb s VAL 31 Ca 0.71 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2vvb s VAL 31 Cb -0.06 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 2vvb s VAL 31 CO 0.51 -0.69 1.01 -0.62 -0.31 0.00 0.00 175.10 175.01 2vvb s ASP 32 N -3.12 7.41 -0.49 4.85 2.15 -1.26 -3.02 116.67 123.19 2vvb s ASP 32 Ca 0.18 1.87 -0.16 0.00 0.43 0.00 0.00 52.55 54.87 2vvb s ASP 32 Cb 0.05 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 40.16 2vvb s ASP 32 CO -0.00 -0.14 0.45 -0.63 -0.17 0.00 0.00 175.17 174.69 2vvb s ILE 33 N 0.04 5.16 -0.47 4.11 1.01 0.27 -4.93 121.20 126.38 2vvb s ILE 33 Ca 0.48 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 2vvb s ILE 33 Cb -0.25 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.06 2vvb s ILE 33 CO 0.31 -0.66 1.14 -0.62 0.00 0.00 0.00 174.94 175.10 2vvb s ASP 34 N 2.76 6.64 0.51 3.58 -1.08 -1.26 -0.65 116.67 127.16 2vvb s ASP 34 Ca 0.06 0.48 0.29 0.00 -0.52 0.00 0.00 52.55 52.86 2vvb s ASP 34 Cb -0.24 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 39.91 2vvb s ASP 34 CO 0.07 -1.25 1.95 0.71 0.52 0.00 0.00 175.17 177.18 2vvb h THR 35 N 6.22 0.34 0.00 1.71 1.35 -1.94 -2.56 112.91 118.03 2vvb h THR 35 Ca -0.23 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2vvb h THR 35 Cb 1.06 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2vvb h THR 35 CO 1.13 0.11 -0.57 0.45 -0.25 0.00 0.00 175.52 176.39 2vvb h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.34 115.15 118.37 2vvb h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vvb h HIS 36 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2vvb h HIS 36 CO 0.00 0.00 -1.36 2.41 0.86 0.00 0.00 177.93 179.84 2vvb n THR 37 N -2.84 0.06 -2.45 2.45 -1.04 -1.07 -4.94 114.28 104.45 2vvb n THR 37 Ca 0.02 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 2vvb n THR 37 Cb 0.54 0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 69.42 2vvb n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vvb s ALA 38 N -3.24 3.37 -0.10 2.41 0.00 -0.99 -4.87 121.76 118.34 2vvb s ALA 38 Ca 0.01 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 2vvb s ALA 38 Cb 0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2vvb s ALA 38 CO 0.86 -0.40 0.04 0.21 0.00 0.00 0.00 175.76 176.47 2vvb s LYS 39 N 0.95 3.19 0.26 0.00 2.20 -1.14 -4.73 119.74 120.48 2vvb s LYS 39 Ca 0.57 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.53 2vvb s LYS 39 Cb -0.29 -2.92 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 2vvb s LYS 39 CO 0.30 0.67 1.57 0.98 -0.36 0.00 0.00 175.35 178.50 2vvb n TYR 40 N 2.27 2.63 -3.93 4.03 9.36 -1.26 -0.35 117.16 129.92 2vvb n TYR 40 Ca -0.19 0.26 -0.34 0.00 3.32 0.00 0.00 57.90 60.96 2vvb n TYR 40 Cb 0.54 -2.57 -0.14 0.00 -0.63 0.00 0.00 39.34 36.54 2vvb n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2vvb s ASP 41 N 0.58 4.87 0.31 2.98 -1.08 -0.44 -4.83 116.67 119.06 2vvb s ASP 41 Ca 0.68 -1.55 0.24 0.00 -0.52 0.00 0.00 52.55 51.39 2vvb s ASP 41 Cb -0.55 -1.70 1.14 0.00 -1.46 0.00 0.00 42.92 40.36 2vvb s ASP 41 CO 0.46 -0.32 1.72 -0.65 0.52 0.00 0.00 175.17 176.89 2vvb h PRO 42 N 7.92 0.00 0.00 4.34 0.11 -1.94 -2.77 132.00 139.66 2vvb h PRO 42 Ca -0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 2vvb h PRO 42 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2vvb h PRO 42 CO 0.55 0.00 -0.15 0.66 -0.21 0.00 0.00 178.00 178.85 2vvb h SER 43 N 0.00 0.00 -2.84 -2.05 4.64 -1.98 -3.44 113.55 107.88 2vvb h SER 43 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2vvb h SER 43 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2vvb h SER 43 CO 0.00 0.15 0.87 -0.76 -0.87 0.00 0.00 176.83 176.22 2vvb s LEU 44 N -6.56 4.36 0.63 5.97 1.43 -1.05 -4.98 118.68 118.49 2vvb s LEU 44 Ca 0.01 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 2vvb s LEU 44 Cb 0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2vvb s LEU 44 CO 0.61 -0.78 1.05 -0.54 0.23 0.00 0.00 176.35 176.92 2vvb s LYS 45 N 1.88 3.26 0.31 1.70 -0.14 -1.11 -4.92 119.74 120.72 2vvb s LYS 45 Ca 0.69 1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 56.04 2vvb s LYS 45 Cb -0.38 -2.03 -0.13 0.00 -1.68 0.00 0.00 37.83 33.60 2vvb s LYS 45 CO 0.30 -0.85 1.09 -2.30 -0.76 0.00 0.00 175.35 172.83 2vvb n PRO 46 N -2.54 1.57 -2.99 -1.68 -0.02 -1.26 -1.01 135.00 127.07 2vvb n PRO 46 Ca 0.08 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.71 2vvb n PRO 46 Cb 0.53 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 2vvb n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vvb s LEU 47 N 0.01 4.47 -0.23 2.45 2.96 -1.26 -1.39 118.68 125.69 2vvb s LEU 47 Ca 0.58 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.98 2vvb s LEU 47 Cb -0.66 -3.23 0.06 0.00 0.50 0.00 0.00 46.19 42.86 2vvb s LEU 47 CO 0.61 0.05 -0.07 -0.55 -1.32 0.00 0.00 176.35 175.06 2vvb s SER 48 N -0.25 3.91 -0.43 3.68 0.15 0.41 -4.88 113.70 116.29 2vvb s SER 48 Ca 0.38 -1.18 -0.12 0.00 0.70 0.00 0.00 55.95 55.72 2vvb s SER 48 Cb -0.21 -1.26 0.06 0.00 -1.71 0.00 0.00 66.02 62.90 2vvb s SER 48 CO 0.23 -0.21 0.30 -0.69 1.20 0.00 0.00 173.24 174.07 2vvb s VAL 49 N 1.33 4.75 -0.65 4.45 1.01 -1.26 -1.48 120.40 128.55 2vvb s VAL 49 Ca -0.06 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2vvb s VAL 49 Cb -0.19 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.54 2vvb s VAL 49 CO -0.06 -0.47 0.44 -0.55 0.00 0.00 0.00 175.10 174.46 2vvb s SER 50 N 2.16 4.91 -0.05 3.32 0.15 -0.33 -4.89 113.70 118.97 2vvb s SER 50 Ca 0.03 -3.32 0.11 0.00 0.70 0.00 0.00 55.95 53.47 2vvb s SER 50 Cb -0.22 -1.73 0.32 0.00 -1.71 0.00 0.00 66.02 62.67 2vvb s SER 50 CO 0.05 -0.21 1.25 -1.22 1.20 0.00 0.00 173.24 174.31 2vvb n TYR 51 N 2.76 0.49 -0.33 3.44 4.01 -1.26 -1.35 117.16 124.91 2vvb n TYR 51 Ca 0.12 -0.61 0.11 0.00 -0.16 0.00 0.00 57.90 57.36 2vvb n TYR 51 Cb 0.35 -0.10 0.31 0.00 -0.31 0.00 0.00 39.34 39.59 2vvb n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2vvb h ASP 52 N 1.61 0.80 -0.57 7.72 3.58 -1.90 -1.81 116.42 125.84 2vvb h ASP 52 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2vvb h ASP 52 Cb 0.88 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2vvb h ASP 52 CO 0.05 0.37 0.00 0.00 -2.88 0.00 0.00 179.24 176.78 2vvb n GLN 53 N -4.65 4.60 -1.91 0.28 1.13 -1.21 -5.01 117.38 110.62 2vvb n GLN 53 Ca 0.20 -3.11 -0.41 0.00 -1.94 0.00 0.00 57.00 51.74 2vvb n GLN 53 Cb 0.48 -2.18 -0.02 0.00 0.11 0.00 0.00 30.24 28.63 2vvb n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vvb s ALA 54 N -2.62 3.63 -0.38 -1.58 0.00 -0.68 -4.55 121.76 115.57 2vvb s ALA 54 Ca 0.53 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.97 2vvb s ALA 54 Cb 0.40 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 20.05 2vvb s ALA 54 CO 0.17 -0.87 0.14 0.99 0.00 0.00 0.00 175.76 176.19 2vvb s THR 55 N -0.44 1.79 0.52 0.00 2.01 -1.26 -4.93 115.64 113.33 2vvb s THR 55 Ca 0.57 -2.32 -0.19 0.00 0.31 0.00 0.00 61.69 60.06 2vvb s THR 55 Cb -0.44 -2.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.70 2vvb s THR 55 CO 0.51 -0.72 1.05 -0.94 -0.69 0.00 0.00 174.62 173.83 2vvb s SER 56 N 0.76 6.17 0.00 3.53 1.04 -1.26 -0.95 113.70 122.99 2vvb s SER 56 Ca 0.13 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2vvb s SER 56 Cb -0.21 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2vvb s SER 56 CO -0.09 -0.90 0.00 0.18 0.98 0.00 0.00 173.24 173.41 2vvb n LEU 57 N -1.26 1.20 -3.55 2.42 4.77 0.15 -4.02 117.00 116.72 2vvb n LEU 57 Ca 0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2vvb n LEU 57 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 2vvb n LEU 57 CO 0.42 0.16 0.37 -0.60 -1.33 0.00 0.00 177.39 176.40 2vvb s ARG 58 N -1.92 1.03 -0.05 3.23 3.52 -1.23 -0.95 118.95 122.58 2vvb s ARG 58 Ca 0.00 0.09 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 2vvb s ARG 58 Cb 0.00 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 2vvb s ARG 58 CO 0.00 -0.33 -0.25 -1.50 -0.81 0.00 0.00 175.30 172.41 2vvb s ILE 59 N -1.54 2.02 -0.03 4.11 2.07 -0.27 -0.65 121.20 126.91 2vvb s ILE 59 Ca -0.10 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.09 2vvb s ILE 59 Cb -0.01 -1.70 0.02 0.00 0.13 0.00 0.00 42.46 40.90 2vvb s ILE 59 CO 0.06 0.56 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.40 2vvb s LEU 60 N -0.24 1.42 -0.44 8.50 2.96 -0.62 -1.04 118.68 129.22 2vvb s LEU 60 Ca -0.01 -0.10 -0.23 0.00 -0.22 0.00 0.00 54.13 53.56 2vvb s LEU 60 Cb -0.13 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.21 2vvb s LEU 60 CO 0.03 -0.04 0.80 0.21 -1.32 0.00 0.00 176.35 176.03 2vvb s ASN 61 N 0.74 6.43 0.00 3.68 3.84 -0.29 -0.81 114.94 128.53 2vvb s ASN 61 Ca -0.09 -0.04 0.21 0.00 0.21 0.00 0.00 52.86 53.15 2vvb s ASN 61 Cb -0.12 -2.39 0.52 0.00 -0.55 0.00 0.00 41.25 38.71 2vvb s ASN 61 CO -0.00 -0.91 1.45 -0.46 -2.79 0.00 0.00 177.10 174.38 2vvb n ASN 62 N 6.73 3.13 0.00 -4.21 0.23 -0.57 -0.59 115.26 119.98 2vvb n ASN 62 Ca 0.03 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 2vvb n ASN 62 Cb 0.48 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2vvb n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vvb n GLY 63 N 1.44 0.76 0.00 4.83 0.00 -1.26 -4.78 105.19 106.18 2vvb n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2vvb n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vvb n HIS 64 N -2.00 0.00 -2.94 1.61 8.25 -1.26 -4.71 115.22 114.17 2vvb n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2vvb n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2vvb n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vvb n ALA 65 N -2.22 0.00 -2.40 -1.41 0.00 -1.26 -4.86 120.51 108.36 2vvb n ALA 65 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2vvb n ALA 65 Cb 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 2vvb n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2vvb s PHE 66 N -4.76 2.05 -0.11 0.00 -0.12 -1.26 -1.52 117.98 112.26 2vvb s PHE 66 Ca 0.00 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 2vvb s PHE 66 Cb 0.00 -1.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.11 2vvb s PHE 66 CO 0.00 0.06 -0.14 -0.80 -0.05 0.00 0.00 175.22 174.29 2vvb s ASN 67 N -0.96 3.97 -0.27 1.98 0.01 0.01 -4.33 114.94 115.36 2vvb s ASN 67 Ca 0.09 -0.30 -0.17 0.00 -0.71 0.00 0.00 52.86 51.77 2vvb s ASN 67 Cb -0.09 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.15 2vvb s ASN 67 CO 0.01 0.22 0.49 -0.69 -1.51 0.00 0.00 177.10 175.61 2vvb s VAL 68 N 0.05 5.08 -0.04 1.60 1.01 0.15 -1.59 120.40 126.67 2vvb s VAL 68 Ca -0.05 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 2vvb s VAL 68 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2vvb s VAL 68 CO 0.04 0.08 0.21 -1.61 0.00 0.00 0.00 175.10 173.82 2vvb s GLU 69 N 2.27 3.50 0.16 2.72 2.02 0.17 -1.46 118.70 128.09 2vvb s GLU 69 Ca 0.20 -0.16 0.10 0.00 0.02 0.00 0.00 54.97 55.14 2vvb s GLU 69 Cb -0.16 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2vvb s GLU 69 CO 0.10 0.70 -0.21 -0.06 0.02 0.00 0.00 175.26 175.80 2vvb s PHE 70 N -1.22 2.40 -0.28 1.61 0.40 -0.49 -0.68 117.98 119.72 2vvb s PHE 70 Ca 0.24 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.96 2vvb s PHE 70 Cb -0.13 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 2vvb s PHE 70 CO 0.13 0.44 1.84 0.34 0.70 0.00 0.00 175.22 178.67 2vvb s ASP 71 N -2.44 5.92 -0.26 1.36 2.15 -0.12 -4.84 116.67 118.43 2vvb s ASP 71 Ca 0.19 1.48 0.09 0.00 0.43 0.00 0.00 52.55 54.74 2vvb s ASP 71 Cb -0.09 -2.52 0.44 0.00 -0.30 0.00 0.00 42.92 40.45 2vvb s ASP 71 CO 0.10 -1.66 1.26 -0.90 -0.17 0.00 0.00 175.17 173.80 2vvb n ASP 72 N 10.14 2.89 0.01 -0.34 5.75 -1.26 -4.65 116.55 129.09 2vvb n ASP 72 Ca 0.23 -3.85 0.13 0.00 -0.01 0.00 0.00 54.79 51.30 2vvb n ASP 72 Cb 0.46 -0.50 0.48 0.00 -1.03 0.00 0.00 41.12 40.53 2vvb n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2vvb n SER 73 N -1.00 0.25 -3.55 -1.12 3.41 -1.26 -4.89 113.62 105.46 2vvb n SER 73 Ca 0.29 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 2vvb n SER 73 Cb 0.82 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 2vvb n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2vvb s GLN 74 N -3.02 1.77 -1.50 4.33 -0.21 -1.26 -5.08 119.66 114.69 2vvb s GLN 74 Ca 0.12 -1.52 -0.12 0.00 0.02 0.00 0.00 55.36 53.87 2vvb s GLN 74 Cb 0.18 0.47 0.01 0.00 1.00 0.00 0.00 33.01 34.66 2vvb s GLN 74 CO 0.59 -0.75 2.46 -0.25 -2.12 0.00 0.00 175.29 175.22 2vvb n ASP 75 N -0.95 5.76 -0.02 5.90 8.00 -1.26 -4.68 116.55 129.29 2vvb n ASP 75 Ca -0.01 -2.78 -0.22 0.00 0.71 0.00 0.00 54.79 52.49 2vvb n ASP 75 Cb 0.62 -1.60 -0.13 0.00 -0.02 0.00 0.00 41.12 39.98 2vvb n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2vvb h LYS 76 N 5.59 0.20 -4.23 -1.24 1.57 -1.87 -3.44 116.57 113.14 2vvb h LYS 76 Ca 0.67 -0.34 -0.56 0.00 -1.87 0.00 0.00 60.65 58.55 2vvb h LYS 76 Cb 0.51 0.13 -0.38 0.00 0.08 0.00 0.00 32.23 32.57 2vvb h LYS 76 CO 1.82 1.16 -0.80 0.00 -0.57 0.00 0.00 179.45 181.07 2vvb s ALA 77 N -2.50 1.56 0.09 3.86 0.00 -1.26 -3.29 121.76 120.22 2vvb s ALA 77 Ca -0.24 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2vvb s ALA 77 Cb 0.06 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2vvb s ALA 77 CO 0.72 -0.76 -0.08 0.14 0.00 0.00 0.00 175.76 175.78 2vvb s VAL 78 N 1.60 0.79 -0.09 0.00 -7.23 -0.46 -1.10 120.40 113.91 2vvb s VAL 78 Ca 0.01 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2vvb s VAL 78 Cb -0.15 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 2vvb s VAL 78 CO -0.08 -0.64 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.60 2vvb s LEU 79 N -2.52 2.09 0.22 1.32 2.96 -0.16 -1.19 118.68 121.39 2vvb s LEU 79 Ca 0.05 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2vvb s LEU 79 Cb -0.01 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 2vvb s LEU 79 CO -0.02 0.18 0.23 -0.54 -1.32 0.00 0.00 176.35 174.89 2vvb s LYS 80 N 0.22 1.34 1.78 1.98 1.02 -0.55 -1.67 119.74 123.85 2vvb s LYS 80 Ca -0.15 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.27 2vvb s LYS 80 Cb -0.17 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2vvb s LYS 80 CO 0.08 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 2vvb n GLY 81 N -0.33 -1.37 7.00 -3.33 0.00 -1.26 -0.44 105.19 105.46 2vvb n GLY 81 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2vvb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvb n GLY 82 N 0.00 3.95 0.04 -0.02 0.00 -0.18 -1.42 105.19 107.56 2vvb n GLY 82 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2vvb n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vvb n PRO 83 N 13.98 0.29 -3.18 1.61 -0.04 -1.26 -2.74 135.00 143.66 2vvb n PRO 83 Ca 0.00 -0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 2vvb n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2vvb n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2vvb s LEU 84 N -2.76 4.25 -0.16 1.53 1.43 -0.51 -5.07 118.68 117.39 2vvb s LEU 84 Ca 0.20 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 2vvb s LEU 84 Cb 0.19 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2vvb s LEU 84 CO 0.53 -0.03 -0.02 -1.81 0.23 0.00 0.00 176.35 175.25 2vvb s ASP 85 N -1.90 4.96 0.14 2.29 1.01 -1.26 -4.16 116.67 117.76 2vvb s ASP 85 Ca 0.46 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.63 2vvb s ASP 85 Cb -0.14 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2vvb s ASP 85 CO 0.20 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.36 2vvb n GLY 86 N 3.50 -1.17 3.27 0.21 0.00 -1.26 -4.91 105.19 104.83 2vvb n GLY 86 Ca -0.17 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2vvb n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vvb s THR 87 N 0.00 2.26 -0.16 2.61 2.01 -1.26 -4.49 115.64 116.61 2vvb s THR 87 Ca 0.00 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.04 2vvb s THR 87 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.65 2vvb s THR 87 CO 0.00 0.56 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.00 2vvb s TYR 88 N 0.12 2.76 -0.12 4.92 1.51 -0.67 -1.39 117.35 124.48 2vvb s TYR 88 Ca -0.11 -1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 54.54 2vvb s TYR 88 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2vvb s TYR 88 CO 0.06 -0.58 0.43 0.50 -1.11 0.00 0.00 175.55 174.85 2vvb s ARG 89 N 0.94 4.29 0.07 -0.62 3.52 0.27 -0.99 118.95 126.44 2vvb s ARG 89 Ca -0.03 0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 55.63 2vvb s ARG 89 Cb -0.15 -3.42 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 2vvb s ARG 89 CO -0.03 0.21 1.72 -1.17 -0.81 0.00 0.00 175.30 175.22 2vvb s LEU 90 N 0.47 4.38 -0.11 -0.88 2.96 -0.26 -1.23 118.68 124.01 2vvb s LEU 90 Ca 0.24 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 2vvb s LEU 90 Cb -0.15 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2vvb s LEU 90 CO 0.09 -0.93 -0.07 0.00 -1.32 0.00 0.00 176.35 174.12 2vvb n ILE 91 N 4.86 0.64 -3.45 6.68 3.06 -0.32 -4.53 119.36 126.29 2vvb n ILE 91 Ca 0.17 -0.28 -0.11 0.00 -2.50 0.00 0.00 62.75 60.03 2vvb n ILE 91 Cb 0.40 -0.87 -0.02 0.00 0.54 0.00 0.00 39.64 39.69 2vvb n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2vvb s GLN 92 N -2.22 1.11 0.17 9.51 1.03 -1.21 -1.39 119.66 126.65 2vvb s GLN 92 Ca -0.12 -0.39 0.08 0.00 0.04 0.00 0.00 55.36 54.97 2vvb s GLN 92 Cb 0.04 0.51 -0.04 0.00 0.03 0.00 0.00 33.01 33.54 2vvb s GLN 92 CO 0.29 -0.48 -0.17 -0.59 -2.54 0.00 0.00 175.29 171.79 2vvb s PHE 93 N -3.45 1.77 0.27 9.60 -0.12 -0.53 -0.81 117.98 124.70 2vvb s PHE 93 Ca 0.02 -0.49 -0.13 0.00 -0.05 0.00 0.00 56.93 56.27 2vvb s PHE 93 Cb -0.01 -0.87 0.01 0.00 -0.63 0.00 0.00 43.02 41.52 2vvb s PHE 93 CO -0.11 0.32 0.54 -3.38 -0.05 0.00 0.00 175.22 172.55 2vvb s HIS 94 N -2.24 0.32 0.27 3.49 -3.43 -0.82 -0.67 115.29 112.20 2vvb s HIS 94 Ca 0.17 -0.71 0.09 0.00 -0.80 0.00 0.00 55.06 53.81 2vvb s HIS 94 Cb -0.05 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 2vvb s HIS 94 CO 0.06 -1.10 -0.13 -0.06 -2.00 0.00 0.00 174.74 171.52 2vvb s PHE 95 N -3.77 2.05 -0.06 0.38 0.40 -1.26 -0.38 117.98 115.35 2vvb s PHE 95 Ca 0.21 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 2vvb s PHE 95 Cb -0.02 -1.03 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 2vvb s PHE 95 CO 0.10 0.47 -0.21 -1.01 0.70 0.00 0.00 175.22 175.28 2vvb s HIS 96 N -2.80 2.06 0.22 0.36 3.76 -0.09 -4.76 115.29 114.04 2vvb s HIS 96 Ca 0.28 -0.64 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 2vvb s HIS 96 Cb -0.00 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 2vvb s HIS 96 CO 0.12 -0.22 0.35 1.67 -0.85 0.00 0.00 174.74 175.81 2vvb s TRP 97 N 0.03 0.60 0.54 1.40 -2.14 -1.23 -0.97 118.94 117.17 2vvb s TRP 97 Ca -0.06 -0.92 0.06 0.00 2.66 0.00 0.00 56.10 57.84 2vvb s TRP 97 Cb -0.13 -0.07 0.04 0.00 -3.10 0.00 0.00 33.47 30.21 2vvb s TRP 97 CO 0.04 -0.85 0.43 0.20 -2.66 0.00 0.00 176.95 174.11 2vvb s GLY 98 N -3.05 2.31 0.29 3.67 0.00 -1.14 -1.45 107.32 107.95 2vvb s GLY 98 Ca 0.26 -1.37 0.15 0.00 0.00 0.00 0.00 44.72 43.76 2vvb s GLY 98 CO 0.08 -1.91 1.56 1.48 0.00 0.00 0.00 173.10 174.31 2vvb h SER 99 N 0.72 0.00 -5.48 1.64 4.64 -1.90 -3.39 113.55 109.78 2vvb h SER 99 Ca -0.36 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.76 2vvb h SER 99 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 2vvb h SER 99 CO 0.56 0.54 -0.61 -0.76 -0.87 0.00 0.00 176.83 175.68 2vvb s LEU 100 N -6.86 1.46 0.42 5.97 1.43 -1.26 -5.06 118.68 114.77 2vvb s LEU 100 Ca 0.01 -1.26 0.29 0.00 -1.03 0.00 0.00 54.13 52.14 2vvb s LEU 100 Cb 0.10 0.40 1.21 0.00 0.03 0.00 0.00 46.19 47.92 2vvb s LEU 100 CO 0.73 -0.79 1.87 0.44 0.23 0.00 0.00 176.35 178.83 2vvb h ASP 101 N 2.74 0.00 0.00 2.29 3.32 -1.91 -2.86 116.42 120.00 2vvb h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2vvb h ASP 101 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2vvb h ASP 101 CO 0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 2vvb n GLY 102 N 0.01 -0.97 3.52 2.75 0.00 -1.26 -3.45 105.19 105.79 2vvb n GLY 102 Ca 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2vvb n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vvb s GLN 103 N -2.00 1.40 0.00 1.61 -2.07 -1.08 -4.72 119.66 112.81 2vvb s GLN 103 Ca 0.28 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.79 2vvb s GLN 103 Cb 0.13 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 2vvb s GLN 103 CO 0.22 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.01 2vvb n GLY 104 N -0.33 1.86 3.82 2.60 0.00 -1.03 -3.22 105.19 108.88 2vvb n GLY 104 Ca -0.07 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2vvb n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvb s SER 105 N 0.00 5.70 -0.18 1.61 1.04 -0.37 -3.47 113.70 118.03 2vvb s SER 105 Ca 0.00 1.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 2vvb s SER 105 Cb 0.00 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 2vvb s SER 105 CO 0.00 -1.22 0.02 -0.62 0.98 0.00 0.00 173.24 172.40 2vvb n GLU 106 N -2.47 0.52 -2.34 4.02 1.02 -1.26 -4.84 120.64 115.29 2vvb n GLU 106 Ca 0.08 0.54 -0.34 0.00 -0.02 0.00 0.00 57.16 57.41 2vvb n GLU 106 Cb 0.53 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 2vvb n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2vvb s HIS 107 N -2.33 2.82 0.17 -0.32 3.76 -1.26 -4.19 115.29 113.93 2vvb s HIS 107 Ca -0.24 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.30 2vvb s HIS 107 Cb 0.05 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 2vvb s HIS 107 CO 0.43 -1.25 -0.15 0.95 -0.85 0.00 0.00 174.74 173.88 2vvb s THR 108 N -1.92 1.60 -0.26 1.30 -4.23 -1.17 -4.68 115.64 106.28 2vvb s THR 108 Ca 0.70 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 2vvb s THR 108 Cb -0.20 -1.88 0.07 0.00 1.34 0.00 0.00 72.50 71.83 2vvb s THR 108 CO 0.25 -0.53 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.06 2vvb s VAL 109 N -2.67 1.85 -1.59 2.29 1.01 -0.65 -0.57 120.40 120.07 2vvb s VAL 109 Ca 0.18 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 2vvb s VAL 109 Cb -0.02 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.39 2vvb s VAL 109 CO 0.05 -0.14 0.85 0.47 0.00 0.00 0.00 175.10 176.34 2vvb n ASP 110 N 4.54 -3.73 0.00 3.32 8.00 0.17 -1.49 116.55 127.36 2vvb n ASP 110 Ca -0.11 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2vvb n ASP 110 Cb 0.43 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 2vvb n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vvb n LYS 111 N -4.53 0.00 -2.36 -1.24 4.76 -1.26 -5.00 118.16 108.52 2vvb n LYS 111 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 2vvb n LYS 111 Cb 0.53 -2.19 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 2vvb n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2vvb s LYS 112 N -0.02 4.34 -0.12 1.97 2.20 -0.55 -5.00 119.74 122.55 2vvb s LYS 112 Ca 0.00 1.80 -0.14 0.00 -0.36 0.00 0.00 55.97 57.27 2vvb s LYS 112 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2vvb s LYS 112 CO 0.00 -0.45 0.33 0.15 -0.36 0.00 0.00 175.35 175.01 2vvb s LYS 113 N 2.02 4.13 0.66 4.03 1.02 -1.26 -1.64 119.74 128.71 2vvb s LYS 113 Ca 0.59 0.18 -0.05 0.00 0.02 0.00 0.00 55.97 56.72 2vvb s LYS 113 Cb -0.28 -3.37 0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2vvb s LYS 113 CO 0.25 0.36 0.95 0.71 -0.92 0.00 0.00 175.35 176.70 2vvb s TYR 114 N 0.07 2.93 -0.05 3.18 1.51 -1.26 -4.68 117.35 119.05 2vvb s TYR 114 Ca 0.19 0.36 0.23 0.00 -1.01 0.00 0.00 57.07 56.85 2vvb s TYR 114 Cb -0.14 -3.06 0.70 0.00 -0.11 0.00 0.00 41.96 39.34 2vvb s TYR 114 CO 0.07 -1.25 1.73 0.00 -1.11 0.00 0.00 175.55 174.98 2vvb h ALA 115 N -0.42 0.94 -2.69 3.71 0.00 -1.42 -0.89 119.26 118.49 2vvb h ALA 115 Ca -0.44 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.40 2vvb h ALA 115 Cb 1.31 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2vvb h ALA 115 CO 0.59 0.25 0.35 0.00 0.00 0.00 0.00 179.25 180.44 2vvb s ALA 116 N -3.42 -1.43 -0.12 0.00 0.00 -1.14 -2.90 121.76 112.75 2vvb s ALA 116 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 2vvb s ALA 116 Cb 0.08 0.75 0.05 0.00 0.00 0.00 0.00 23.12 24.01 2vvb s ALA 116 CO 0.65 -1.03 0.28 -2.00 0.00 0.00 0.00 175.76 173.66 2vvb s GLU 117 N -3.62 0.23 -0.14 0.00 2.12 -0.14 -1.06 118.70 116.09 2vvb s GLU 117 Ca 0.11 0.64 -0.12 0.00 0.36 0.00 0.00 54.97 55.96 2vvb s GLU 117 Cb -0.04 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 2vvb s GLU 117 CO 0.04 -0.19 0.25 -1.17 -0.54 0.00 0.00 175.26 173.65 2vvb s LEU 118 N 1.55 4.30 -0.20 2.70 2.96 -0.01 -0.92 118.68 129.06 2vvb s LEU 118 Ca -0.07 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2vvb s LEU 118 Cb -0.10 -2.29 0.04 0.00 0.50 0.00 0.00 46.19 44.33 2vvb s LEU 118 CO -0.09 0.21 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.99 2vvb s HIS 119 N -0.09 2.83 -0.34 5.38 3.76 0.49 -1.11 115.29 126.21 2vvb s HIS 119 Ca 0.16 -1.81 -0.15 0.00 -0.15 0.00 0.00 55.06 53.10 2vvb s HIS 119 Cb -0.13 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 2vvb s HIS 119 CO 0.04 -0.81 0.37 -0.51 -0.85 0.00 0.00 174.74 172.98 2vvb s LEU 120 N 1.26 4.41 -0.19 0.89 1.02 -0.30 -1.94 118.68 123.83 2vvb s LEU 120 Ca -0.00 -0.20 -0.08 0.00 0.02 0.00 0.00 54.13 53.87 2vvb s LEU 120 Cb -0.16 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 2vvb s LEU 120 CO -0.10 -0.33 0.08 -0.69 0.02 0.00 0.00 176.35 175.33 2vvb s VAL 121 N 2.03 4.92 0.02 -1.59 1.01 0.01 -1.10 120.40 125.70 2vvb s VAL 121 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2vvb s VAL 121 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2vvb s VAL 121 CO 0.12 0.45 -0.13 -1.00 0.00 0.00 0.00 175.10 174.53 2vvb s HIS 122 N 0.46 1.12 0.03 5.22 3.76 -0.13 -1.18 115.29 124.56 2vvb s HIS 122 Ca 0.04 -0.29 0.07 0.00 -0.15 0.00 0.00 55.06 54.73 2vvb s HIS 122 Cb -0.12 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2vvb s HIS 122 CO 0.00 0.01 -0.18 1.67 -0.85 0.00 0.00 174.74 175.39 2vvb s TRP 123 N -0.61 2.57 -0.17 1.40 1.48 -0.36 -0.81 118.94 122.43 2vvb s TRP 123 Ca 0.02 -0.25 -0.29 0.00 -1.06 0.00 0.00 56.10 54.52 2vvb s TRP 123 Cb -0.06 -1.49 -0.04 0.00 -1.16 0.00 0.00 33.47 30.72 2vvb s TRP 123 CO 0.00 0.23 1.68 1.21 -4.06 0.00 0.00 176.95 176.02 2vvb s ASN 124 N -1.30 6.39 0.56 -2.66 3.84 0.71 -0.56 114.94 121.92 2vvb s ASN 124 Ca 0.14 1.84 0.36 0.00 0.21 0.00 0.00 52.86 55.41 2vvb s ASN 124 Cb -0.10 -2.53 1.60 0.00 -0.55 0.00 0.00 41.25 39.67 2vvb s ASN 124 CO 0.04 -1.22 2.06 0.71 -2.79 0.00 0.00 177.10 175.91 2vvb h THR 125 N 6.05 0.00 0.00 -5.21 1.35 -1.57 -1.86 112.91 111.67 2vvb h THR 125 Ca -0.36 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2vvb h THR 125 Cb 1.17 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2vvb h THR 125 CO 0.98 0.00 -0.01 0.07 -0.25 0.00 0.00 175.52 176.32 2vvb h LYS 127 N 0.00 0.00 -0.01 4.72 2.10 -1.90 -1.91 116.57 119.57 2vvb h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vvb h LYS 127 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2vvb h LYS 127 CO 0.00 0.01 -0.17 0.66 -2.00 0.00 0.00 179.45 177.95 2vvb n TYR 128 N -3.69 0.00 0.00 0.07 4.02 -0.70 -4.99 117.16 111.87 2vvb n TYR 128 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2vvb n TYR 128 Cb 0.09 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 2vvb n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vvb n GLY 129 N 1.29 1.79 3.26 2.72 0.00 -0.72 -4.58 105.19 108.95 2vvb n GLY 129 Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2vvb n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2vvb s ASP 130 N 0.00 -0.08 0.21 1.61 1.47 -1.26 -5.05 116.67 113.56 2vvb s ASP 130 Ca 0.00 -0.45 -0.10 0.00 1.18 0.00 0.00 52.55 53.19 2vvb s ASP 130 Cb 0.00 0.41 0.26 0.00 -0.34 0.00 0.00 42.92 43.25 2vvb s ASP 130 CO 0.00 -0.78 1.76 0.15 0.68 0.00 0.00 175.17 176.98 2vvb h PHE 131 N 2.60 0.48 -0.46 2.11 3.57 -1.94 -1.23 116.94 122.06 2vvb h PHE 131 Ca -0.34 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 2vvb h PHE 131 Cb 1.23 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2vvb h PHE 131 CO 0.38 0.17 0.14 0.78 -2.23 0.00 0.00 178.31 177.55 2vvb h GLY 132 N 0.49 0.72 1.05 2.40 0.00 -1.97 -1.10 103.07 104.66 2vvb h GLY 132 Ca 0.30 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2vvb h GLY 132 CO -0.26 0.36 -0.50 0.50 0.00 0.00 0.00 176.54 176.64 2vvb h LYS 133 N 0.66 0.75 -0.80 4.80 1.79 -1.78 -3.33 116.57 118.67 2vvb h LYS 133 Ca 0.16 -0.50 0.02 0.00 -2.18 0.00 0.00 60.65 58.15 2vvb h LYS 133 Cb 0.20 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 2vvb h LYS 133 CO -0.01 1.12 0.52 0.00 -1.08 0.00 0.00 179.45 180.00 2vvb h ALA 134 N 0.63 1.03 0.00 3.86 0.00 -0.52 -2.46 119.26 121.80 2vvb h ALA 134 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2vvb h ALA 134 Cb 1.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2vvb h ALA 134 CO 0.11 0.37 0.00 1.33 0.00 0.00 0.00 179.25 181.06 2vvb n VAL 135 N -4.57 1.24 1.52 0.00 0.24 -0.48 -1.57 118.33 114.71 2vvb n VAL 135 Ca 0.09 0.42 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 2vvb n VAL 135 Cb 0.06 -1.33 0.53 0.00 -1.47 0.00 0.00 33.84 31.62 2vvb n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vvb n GLN 136 N -1.84 1.54 -4.78 7.34 6.02 -0.93 -4.63 117.38 120.10 2vvb n GLN 136 Ca 0.01 -0.79 -0.29 0.00 -0.01 0.00 0.00 57.00 55.92 2vvb n GLN 136 Cb 0.11 -1.43 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 2vvb n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2vvb s GLN 137 N -1.92 1.67 0.50 -1.09 -1.52 -0.61 -5.04 119.66 111.65 2vvb s GLN 137 Ca 0.36 -1.12 0.23 0.00 -1.95 0.00 0.00 55.36 52.88 2vvb s GLN 137 Cb 0.19 -1.89 1.31 0.00 -0.22 0.00 0.00 33.01 32.40 2vvb s GLN 137 CO 0.30 0.48 2.05 -1.00 -0.25 0.00 0.00 175.29 176.87 2vvb h PRO 138 N 4.66 0.00 -0.53 2.91 0.13 -1.86 -2.04 132.00 135.27 2vvb h PRO 138 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 2vvb h PRO 138 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 2vvb h PRO 138 CO 0.43 0.14 0.07 -0.40 -0.23 0.00 0.00 178.00 178.01 2vvb n ASP 139 N -3.86 3.05 0.09 1.44 5.75 -1.26 -4.14 116.55 117.61 2vvb n ASP 139 Ca -0.02 -3.76 -0.12 0.00 -0.01 0.00 0.00 54.79 50.88 2vvb n ASP 139 Cb 0.24 -0.68 -0.08 0.00 -1.03 0.00 0.00 41.12 39.56 2vvb n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2vvb h GLY 140 N 1.10 0.25 -4.12 6.12 0.00 -1.12 -3.43 103.07 101.87 2vvb h GLY 140 Ca 0.33 -0.54 -0.46 0.00 0.00 0.00 0.00 47.33 46.66 2vvb h GLY 140 CO 0.61 0.48 -0.79 1.08 0.00 0.00 0.00 176.54 177.91 2vvb s LEU 141 N -7.23 2.32 -0.10 3.11 1.43 0.35 -0.21 118.68 118.36 2vvb s LEU 141 Ca -0.03 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2vvb s LEU 141 Cb 0.09 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.67 2vvb s LEU 141 CO 0.85 -0.05 -0.12 0.00 0.23 0.00 0.00 176.35 177.27 2vvb s ALA 142 N -1.49 1.45 -0.16 4.21 0.00 0.01 -0.81 121.76 124.97 2vvb s ALA 142 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2vvb s ALA 142 Cb -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2vvb s ALA 142 CO 0.03 -0.15 -0.16 0.08 0.00 0.00 0.00 175.76 175.57 2vvb s VAL 143 N 1.15 2.59 -0.33 0.00 1.01 -0.89 -0.95 120.40 122.98 2vvb s VAL 143 Ca -0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2vvb s VAL 143 Cb -0.14 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2vvb s VAL 143 CO -0.03 0.51 0.45 -0.22 0.00 0.00 0.00 175.10 175.81 2vvb s LEU 144 N 0.94 4.31 -0.13 3.92 2.96 -0.25 -1.32 118.68 129.10 2vvb s LEU 144 Ca -0.03 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2vvb s LEU 144 Cb -0.15 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2vvb s LEU 144 CO -0.02 -0.38 0.03 -0.83 -1.32 0.00 0.00 176.35 173.83 2vvb s GLY 145 N 1.72 1.89 -0.08 7.98 0.00 0.07 -1.15 107.32 117.75 2vvb s GLY 145 Ca 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2vvb s GLY 145 CO 0.12 -0.27 -0.08 -0.42 0.00 0.00 0.00 173.10 172.45 2vvb s ILE 146 N -0.32 0.96 0.34 0.90 1.01 -0.27 -0.91 121.20 122.91 2vvb s ILE 146 Ca 0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 2vvb s ILE 146 Cb -0.12 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.31 2vvb s ILE 146 CO 0.02 0.34 0.96 -0.36 0.00 0.00 0.00 174.94 175.90 2vvb s PHE 147 N 1.24 3.62 -0.09 3.97 0.40 -1.26 -0.83 117.98 125.03 2vvb s PHE 147 Ca -0.04 1.76 0.02 0.00 -0.60 0.00 0.00 56.93 58.07 2vvb s PHE 147 Cb -0.14 -2.96 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 2vvb s PHE 147 CO -0.03 0.06 -0.16 -0.51 0.70 0.00 0.00 175.22 175.29 2vvb s LEU 148 N -2.15 2.60 0.26 -0.37 1.02 -0.22 -0.82 118.68 119.01 2vvb s LEU 148 Ca 0.51 -0.31 0.12 0.00 0.02 0.00 0.00 54.13 54.46 2vvb s LEU 148 Cb -0.19 -1.55 -0.05 0.00 0.02 0.00 0.00 46.19 44.42 2vvb s LEU 148 CO 0.24 0.24 -0.18 -1.59 0.02 0.00 0.00 176.35 175.08 2vvb s LYS 149 N -0.12 1.73 -0.21 1.70 -2.85 -0.24 -1.98 119.74 117.77 2vvb s LYS 149 Ca -0.02 -1.68 -0.14 0.00 -1.00 0.00 0.00 55.97 53.13 2vvb s LYS 149 Cb -0.14 -1.84 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 2vvb s LYS 149 CO 0.04 0.35 0.32 0.08 0.10 0.00 0.00 175.35 176.24 2vvb s VAL 150 N -2.33 5.25 0.00 1.79 1.01 -1.26 -0.67 120.40 124.20 2vvb s VAL 150 Ca 0.28 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2vvb s VAL 150 Cb -0.06 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2vvb s VAL 150 CO 0.15 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2vvb n GLY 151 N 3.95 0.97 3.83 4.51 0.00 0.39 -4.90 105.19 113.94 2vvb n GLY 151 Ca -0.11 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 2vvb n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvb s SER 152 N 2.00 6.54 0.50 1.61 1.04 -1.26 -4.11 113.70 120.02 2vvb s SER 152 Ca 0.00 1.67 -0.22 0.00 0.48 0.00 0.00 55.95 57.88 2vvb s SER 152 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 2vvb s SER 152 CO 0.00 -0.65 1.24 0.00 0.98 0.00 0.00 173.24 174.81 2vvb s ALA 153 N -2.43 2.90 -0.43 5.32 0.00 -1.26 -2.47 121.76 123.38 2vvb s ALA 153 Ca 0.61 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 53.50 2vvb s ALA 153 Cb -0.11 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2vvb s ALA 153 CO 0.27 -0.94 0.38 0.21 0.00 0.00 0.00 175.76 175.68 2vvb s LYS 154 N -2.79 3.01 0.19 0.00 2.47 -1.22 -4.82 119.74 116.58 2vvb s LYS 154 Ca 0.67 -1.02 -0.12 0.00 -1.56 0.00 0.00 55.97 53.94 2vvb s LYS 154 Cb -0.33 -4.02 0.20 0.00 -1.46 0.00 0.00 37.83 32.22 2vvb s LYS 154 CO 0.40 -0.87 1.74 -1.35 0.16 0.00 0.00 175.35 175.43 2vvb h PRO 155 N 8.71 0.34 0.00 4.03 0.11 -1.91 -1.86 132.00 141.42 2vvb h PRO 155 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2vvb h PRO 155 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2vvb h PRO 155 CO 0.80 0.22 0.00 0.78 -0.21 0.00 0.00 178.00 179.59 2vvb h GLY 156 N 0.35 0.00 1.11 -0.55 0.00 -1.93 -2.13 103.07 99.91 2vvb h GLY 156 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2vvb h GLY 156 CO -0.28 0.00 -0.65 -0.10 0.00 0.00 0.00 176.54 175.52 2vvb n LEU 157 N -2.32 0.67 0.18 3.11 7.94 -0.70 -4.49 117.00 121.39 2vvb n LEU 157 Ca -0.00 0.19 0.02 0.00 -1.11 0.00 0.00 56.01 55.11 2vvb n LEU 157 Cb 0.10 -0.18 0.34 0.00 0.53 0.00 0.00 43.42 44.21 2vvb n LEU 157 CO 0.14 -0.03 0.70 -0.61 -1.11 0.00 0.00 177.39 176.47 2vvb h GLN 158 N 0.00 0.00 -0.87 1.96 5.75 -1.38 -1.52 115.11 119.05 2vvb h GLN 158 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2vvb h GLN 158 Cb 0.72 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.23 2vvb h GLN 158 CO 0.00 0.40 0.57 -0.22 -2.65 0.00 0.00 178.83 176.92 2vvb h LYS 159 N 0.00 1.10 0.26 1.69 3.64 -1.79 -1.17 116.57 120.30 2vvb h LYS 159 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2vvb h LYS 159 Cb 0.71 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2vvb h LYS 159 CO 0.05 0.73 -0.12 0.28 -2.27 0.00 0.00 179.45 178.11 2vvb h VAL 160 N 1.13 0.78 -0.74 2.00 2.07 -1.59 -2.98 116.25 116.92 2vvb h VAL 160 Ca 0.33 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.77 2vvb h VAL 160 Cb -0.07 0.92 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 2vvb h VAL 160 CO -0.09 0.05 0.25 0.58 0.02 0.00 0.00 177.57 178.38 2vvb h VAL 161 N -0.46 0.60 0.00 2.57 2.07 -0.94 -2.08 116.25 118.00 2vvb h VAL 161 Ca -0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2vvb h VAL 161 Cb 0.35 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2vvb h VAL 161 CO 0.06 0.07 0.00 0.44 0.02 0.00 0.00 177.57 178.15 2vvb h ASP 162 N 0.36 0.00 1.10 0.57 3.32 -1.16 -2.67 116.42 117.94 2vvb h ASP 162 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2vvb h ASP 162 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2vvb h ASP 162 CO -0.45 0.00 -0.35 0.55 -1.72 0.00 0.00 179.24 177.27 2vvb n VAL 163 N -2.98 0.43 -0.03 -1.35 3.14 -0.79 -4.41 118.33 112.34 2vvb n VAL 163 Ca 0.02 -0.26 0.02 0.00 -2.96 0.00 0.00 64.34 61.16 2vvb n VAL 163 Cb 0.39 -0.31 0.36 0.00 -1.06 0.00 0.00 33.84 33.22 2vvb n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2vvb h LEU 164 N 0.00 0.53 -2.32 6.55 3.38 -1.39 -0.89 115.31 121.18 2vvb h LEU 164 Ca 0.00 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2vvb h LEU 164 Cb 0.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2vvb h LEU 164 CO 0.00 0.45 0.08 0.44 0.09 0.00 0.00 178.44 179.50 2vvb h ASP 165 N 0.61 0.00 0.66 -0.43 3.32 -1.78 -1.05 116.42 117.75 2vvb h ASP 165 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2vvb h ASP 165 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2vvb h ASP 165 CO -0.02 0.00 -0.33 -1.54 -1.72 0.00 0.00 179.24 175.63 2vvb n SER 166 N -3.94 0.34 -2.46 6.45 3.41 -0.34 -4.05 113.62 113.04 2vvb n SER 166 Ca -0.01 -0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 2vvb n SER 166 Cb 0.18 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2vvb n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2vvb n ILE 167 N -1.48 1.86 0.11 -1.33 -5.35 -0.41 -4.74 119.36 108.02 2vvb n ILE 167 Ca 0.06 -3.68 0.05 0.00 -0.27 0.00 0.00 62.75 58.91 2vvb n ILE 167 Cb 0.34 -0.02 0.47 0.00 -1.74 0.00 0.00 39.64 38.69 2vvb n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2vvb h LYS 168 N 2.48 0.29 -6.29 6.28 3.64 -1.67 -3.42 116.57 117.88 2vvb h LYS 168 Ca 0.12 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.85 2vvb h LYS 168 Cb 1.33 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2vvb h LYS 168 CO 0.52 0.26 -0.78 0.95 -2.27 0.00 0.00 179.45 178.14 2vvb s THR 169 N -5.12 2.38 0.08 1.00 -4.23 -1.26 -0.53 115.64 107.96 2vvb s THR 169 Ca -0.06 -2.27 -0.36 0.00 -1.18 0.00 0.00 61.69 57.82 2vvb s THR 169 Cb 0.17 -2.22 -0.16 0.00 1.34 0.00 0.00 72.50 71.63 2vvb s THR 169 CO 0.71 -0.32 1.46 1.17 -0.54 0.00 0.00 174.62 177.10 2vvb n LYS 170 N -0.31 1.49 0.00 3.99 4.81 -0.23 -1.93 118.16 125.98 2vvb n LYS 170 Ca -0.08 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2vvb n LYS 170 Cb 0.59 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.41 2vvb n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vvb n GLY 171 N 2.97 1.69 3.77 3.14 0.00 0.24 -4.51 105.19 112.49 2vvb n GLY 171 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2vvb n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvb s LYS 172 N -0.76 4.62 0.13 1.61 -0.14 -0.81 -4.89 119.74 119.49 2vvb s LYS 172 Ca 0.00 1.23 0.02 0.00 -1.36 0.00 0.00 55.97 55.85 2vvb s LYS 172 Cb 0.00 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2vvb s LYS 172 CO 0.00 0.55 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.56 2vvb s SER 173 N -1.19 1.16 -0.02 2.83 1.04 -1.26 -1.14 113.70 115.12 2vvb s SER 173 Ca 0.38 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 2vvb s SER 173 Cb -0.23 0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2vvb s SER 173 CO 0.27 -0.50 0.07 0.00 0.98 0.00 0.00 173.24 174.06 2vvb s ALA 174 N -3.64 -0.16 0.46 5.32 0.00 -0.20 -4.92 121.76 118.61 2vvb s ALA 174 Ca 0.17 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 2vvb s ALA 174 Cb 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2vvb s ALA 174 CO -0.01 -0.09 1.07 -0.25 0.00 0.00 0.00 175.76 176.48 2vvb n ASP 175 N 2.52 1.50 -2.82 0.00 8.00 -1.26 -1.12 116.55 123.38 2vvb n ASP 175 Ca -0.16 1.01 -0.11 0.00 0.71 0.00 0.00 54.79 56.24 2vvb n ASP 175 Cb 0.58 -1.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.33 2vvb n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2vvb n PHE 176 N -0.68 -2.69 -3.38 1.24 7.35 -0.12 -4.68 117.46 114.51 2vvb n PHE 176 Ca 0.10 -2.18 -0.24 0.00 -0.76 0.00 0.00 57.45 54.36 2vvb n PHE 176 Cb 0.41 1.28 -0.01 0.00 0.35 0.00 0.00 39.48 41.50 2vvb n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2vvb s THR 177 N 0.18 5.10 -1.42 -2.13 -4.23 -1.26 -2.83 115.64 109.05 2vvb s THR 177 Ca 0.30 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 2vvb s THR 177 Cb 0.25 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2vvb s THR 177 CO -0.16 -0.53 0.11 0.59 -0.54 0.00 0.00 174.62 174.09 2vvb n ASN 178 N -1.67 -5.09 -4.73 3.99 4.13 -1.26 -4.97 115.26 105.66 2vvb n ASN 178 Ca -0.04 -0.06 -0.38 0.00 1.68 0.00 0.00 54.58 55.77 2vvb n ASN 178 Cb 0.56 -4.13 -0.06 0.00 -1.54 0.00 0.00 39.78 34.61 2vvb n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2vvb s PHE 179 N -2.90 3.54 -0.45 3.10 5.36 -1.26 -5.02 117.98 120.34 2vvb s PHE 179 Ca 0.05 0.92 -0.15 0.00 -0.96 0.00 0.00 56.93 56.79 2vvb s PHE 179 Cb -0.02 -2.55 0.06 0.00 -0.34 0.00 0.00 43.02 40.17 2vvb s PHE 179 CO 0.07 0.21 0.37 0.34 -1.46 0.00 0.00 175.22 174.74 2vvb s ASP 180 N 0.48 6.14 0.36 6.13 -1.08 -1.26 -4.44 116.67 122.99 2vvb s ASP 180 Ca 0.26 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 51.37 2vvb s ASP 180 Cb -0.15 -2.18 1.16 0.00 -1.46 0.00 0.00 42.92 40.29 2vvb s ASP 180 CO 0.11 -0.59 1.81 1.55 0.52 0.00 0.00 175.17 178.57 2vvb h PRO 181 N 8.72 0.00 -0.01 4.34 0.13 -1.96 -2.61 132.00 140.61 2vvb h PRO 181 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2vvb h PRO 181 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2vvb h PRO 181 CO 0.83 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.62 2vvb h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 -1.71 114.38 114.68 2vvb h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2vvb h ARG 182 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2vvb h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2vvb n GLY 183 N -1.25 -0.86 0.79 0.04 0.00 -0.98 -3.00 105.19 99.93 2vvb n GLY 183 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2vvb n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vvb n LEU 184 N -1.28 2.69 -4.83 0.99 4.77 -0.64 -4.22 117.00 114.49 2vvb n LEU 184 Ca 0.08 -1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 54.58 2vvb n LEU 184 Cb 0.14 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2vvb n LEU 184 CO 0.13 0.51 0.47 -0.76 -1.33 0.00 0.00 177.39 176.41 2vvb s LEU 185 N -1.48 4.18 0.00 2.23 1.43 -1.16 -4.94 118.68 118.95 2vvb s LEU 185 Ca 0.24 1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 54.62 2vvb s LEU 185 Cb 0.16 -3.94 0.23 0.00 0.03 0.00 0.00 46.19 42.67 2vvb s LEU 185 CO 0.24 -0.12 1.19 -0.81 0.23 0.00 0.00 176.35 177.08 2vvb n PRO 186 N 0.11 -1.75 -0.08 1.29 -0.04 -1.26 -5.00 135.00 128.27 2vvb n PRO 186 Ca 0.02 -1.86 -0.13 0.00 -0.04 0.00 0.00 63.50 61.49 2vvb n PRO 186 Cb 0.52 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 2vvb n PRO 186 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2vvb h GLU 187 N 0.00 0.52 -5.75 0.54 4.81 -1.92 -3.44 114.58 109.34 2vvb h GLU 187 Ca -0.40 -0.26 -0.65 0.00 -0.13 0.00 0.00 59.36 57.91 2vvb h GLU 187 Cb 1.14 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 2vvb h GLU 187 CO 0.28 0.84 -0.41 0.45 -0.73 0.00 0.00 179.01 179.44 2vvb s SER 188 N -6.30 6.50 -0.26 1.04 0.15 -1.26 -5.01 113.70 108.56 2vvb s SER 188 Ca -0.13 0.60 0.13 0.00 0.70 0.00 0.00 55.95 57.24 2vvb s SER 188 Cb 0.07 -2.12 0.71 0.00 -1.71 0.00 0.00 66.02 62.97 2vvb s SER 188 CO 0.79 0.38 1.68 0.18 1.20 0.00 0.00 173.24 177.47 2vvb n LEU 189 N 1.88 5.37 -4.73 3.45 4.77 -1.26 -4.68 117.00 121.79 2vvb n LEU 189 Ca -0.18 -3.12 -0.42 0.00 -0.03 0.00 0.00 56.01 52.26 2vvb n LEU 189 Cb 0.54 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2vvb n LEU 189 CO 0.33 0.75 1.02 0.47 -1.33 0.00 0.00 177.39 178.64 2vvb n ASP 190 N -0.06 3.28 -3.95 -1.43 8.00 -1.26 -4.93 116.55 116.21 2vvb n ASP 190 Ca 0.32 1.21 -0.10 0.00 0.71 0.00 0.00 54.79 56.94 2vvb n ASP 190 Cb 1.20 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 2vvb n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2vvb s TYR 191 N -1.04 0.37 0.07 1.24 -0.85 -1.26 -1.19 117.35 114.68 2vvb s TYR 191 Ca 0.55 -0.73 0.04 0.00 -0.52 0.00 0.00 57.07 56.41 2vvb s TYR 191 Cb -0.53 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2vvb s TYR 191 CO 0.62 -0.73 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.33 2vvb s TRP 192 N -3.96 2.97 0.02 -3.49 0.51 -0.22 -0.85 118.94 113.91 2vvb s TRP 192 Ca 0.17 -0.02 0.01 0.00 -2.12 0.00 0.00 56.10 54.14 2vvb s TRP 192 Cb 0.03 -1.56 -0.02 0.00 -0.81 0.00 0.00 33.47 31.12 2vvb s TRP 192 CO -0.00 0.46 -0.05 -0.08 -0.51 0.00 0.00 176.95 176.77 2vvb s THR 193 N -1.24 0.31 0.14 2.01 -1.32 0.07 -0.85 115.64 114.77 2vvb s THR 193 Ca 0.24 -0.73 -0.24 0.00 -1.21 0.00 0.00 61.69 59.75 2vvb s THR 193 Cb -0.12 -0.37 0.07 0.00 -1.51 0.00 0.00 72.50 70.57 2vvb s THR 193 CO 0.16 -0.28 0.64 -0.72 -2.21 0.00 0.00 174.62 172.21 2vvb s TYR 194 N -0.99 -0.51 -0.09 9.09 -0.85 -1.08 -1.66 117.35 121.26 2vvb s TYR 194 Ca -0.08 0.30 -0.23 0.00 -0.52 0.00 0.00 57.07 56.54 2vvb s TYR 194 Cb -0.07 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 2vvb s TYR 194 CO -0.00 -0.82 0.68 -1.25 -1.52 0.00 0.00 175.55 172.64 2vvb s PRO 195 N -3.68 4.40 0.00 -3.49 0.04 -1.26 -1.47 135.00 129.53 2vvb s PRO 195 Ca 0.02 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2vvb s PRO 195 Cb -0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2vvb s PRO 195 CO -0.12 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2vvb n GLY 196 N 3.21 4.56 3.19 0.56 0.00 0.50 -4.84 105.19 112.37 2vvb n GLY 196 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2vvb n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvb s SER 197 N 1.54 0.23 0.46 1.61 1.04 -1.12 -2.25 113.70 115.21 2vvb s SER 197 Ca 0.00 -1.25 -0.24 0.00 0.48 0.00 0.00 55.95 54.93 2vvb s SER 197 Cb 0.00 0.34 -0.08 0.00 0.10 0.00 0.00 66.02 66.38 2vvb s SER 197 CO 0.00 -0.79 1.31 0.18 0.98 0.00 0.00 173.24 174.92 2vvb n LEU 198 N -0.17 4.54 -0.70 2.42 4.77 -0.45 -4.45 117.00 122.95 2vvb n LEU 198 Ca -0.03 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.15 2vvb n LEU 198 Cb 0.64 -1.53 0.21 0.00 -2.33 0.00 0.00 43.42 40.41 2vvb n LEU 198 CO 0.31 -0.57 0.63 0.35 -1.33 0.00 0.00 177.39 176.78 2vvb n THR 199 N -0.42 0.00 -4.39 -5.08 -2.24 -1.26 -4.48 114.28 96.40 2vvb n THR 199 Ca 0.07 -0.36 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 2vvb n THR 199 Cb 0.41 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 2vvb n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vvb s THR 200 N -2.13 2.17 0.31 4.28 -4.23 -1.26 -4.70 115.64 110.07 2vvb s THR 200 Ca 0.28 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.52 2vvb s THR 200 Cb 0.20 -2.03 -0.14 0.00 1.34 0.00 0.00 72.50 71.86 2vvb s THR 200 CO 0.38 -0.20 0.71 -2.65 -0.54 0.00 0.00 174.62 172.32 2vvb n PRO 201 N 0.23 0.70 -0.07 3.99 -0.02 -1.26 -0.75 135.00 137.82 2vvb n PRO 201 Ca -0.12 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 2vvb n PRO 201 Cb 0.57 -1.48 0.04 0.00 -0.02 0.00 0.00 33.50 32.61 2vvb n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2vvb n PRO 202 N 0.77 1.31 -2.51 0.52 -0.04 -1.26 -5.00 135.00 128.79 2vvb n PRO 202 Ca 0.13 -0.35 -0.18 0.00 -0.04 0.00 0.00 63.50 63.06 2vvb n PRO 202 Cb 0.32 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2vvb n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2vvb n LEU 203 N -0.12 -2.02 -4.77 1.53 4.77 0.08 -4.91 117.00 111.56 2vvb n LEU 203 Ca 0.03 -0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 2vvb n LEU 203 Cb 0.18 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 2vvb n LEU 203 CO 0.03 -0.06 0.95 -0.76 -1.33 0.00 0.00 177.39 176.22 2vvb s LEU 204 N -5.20 4.14 -1.21 2.23 1.43 -1.26 -4.50 118.68 114.31 2vvb s LEU 204 Ca 0.08 2.62 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2vvb s LEU 204 Cb -0.04 -3.99 0.22 0.00 0.03 0.00 0.00 46.19 42.41 2vvb s LEU 204 CO 0.10 -0.95 1.74 -0.62 0.23 0.00 0.00 176.35 176.86 2vvb n GLU 205 N -0.10 3.93 -0.12 1.70 1.02 -1.26 -1.34 120.64 124.47 2vvb n GLU 205 Ca 0.05 -3.89 0.01 0.00 -0.02 0.00 0.00 57.16 53.31 2vvb n GLU 205 Cb 0.44 -2.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.10 2vvb n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vvb s VAL 207 N -0.54 3.70 -0.39 0.00 1.01 -0.95 -0.49 120.40 122.74 2vvb s VAL 207 Ca 0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2vvb s VAL 207 Cb 0.03 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2vvb s VAL 207 CO 0.00 0.51 0.60 -0.89 0.00 0.00 0.00 175.10 175.32 2vvb s THR 208 N 0.27 4.91 0.02 3.92 2.01 0.01 -0.37 115.64 126.40 2vvb s THR 208 Ca -0.05 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 2vvb s THR 208 Cb -0.14 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2vvb s THR 208 CO 0.03 -0.41 0.70 0.26 -0.69 0.00 0.00 174.62 174.52 2vvb s TRP 209 N 2.64 3.71 -0.26 4.92 0.52 -0.55 -2.08 118.94 127.84 2vvb s TRP 209 Ca 0.22 1.37 -0.00 0.00 0.02 0.00 0.00 56.10 57.70 2vvb s TRP 209 Cb -0.15 -2.74 0.08 0.00 -1.15 0.00 0.00 33.47 29.51 2vvb s TRP 209 CO 0.16 0.30 0.03 0.42 0.02 0.00 0.00 176.95 177.88 2vvb s ILE 210 N -0.08 1.14 -0.27 2.03 1.01 -0.43 -2.63 121.20 121.97 2vvb s ILE 210 Ca 0.36 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2vvb s ILE 210 Cb -0.20 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 2vvb s ILE 210 CO 0.21 -0.39 0.06 -0.69 0.00 0.00 0.00 174.94 174.12 2vvb s VAL 211 N 1.53 3.92 0.34 2.92 1.01 -0.03 -0.75 120.40 129.34 2vvb s VAL 211 Ca 0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 2vvb s VAL 211 Cb -0.18 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 2vvb s VAL 211 CO -0.14 0.19 1.14 -0.76 0.00 0.00 0.00 175.10 175.54 2vvb s LEU 212 N 1.52 4.37 0.13 3.92 1.43 -0.09 -1.06 118.68 128.91 2vvb s LEU 212 Ca 0.04 2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.39 2vvb s LEU 212 Cb -0.16 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 2vvb s LEU 212 CO 0.02 -0.40 1.33 0.50 0.23 0.00 0.00 176.35 178.02 2vvb h LYS 213 N 3.23 0.55 -5.91 1.70 3.64 -1.48 -3.43 116.57 114.87 2vvb h LYS 213 Ca -0.48 -0.51 -0.59 0.00 -1.27 0.00 0.00 60.65 57.81 2vvb h LYS 213 Cb 1.22 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 33.09 2vvb h LYS 213 CO 0.65 1.14 0.58 -2.00 -2.27 0.00 0.00 179.45 177.55 2vvb s GLU 214 N -3.51 4.22 0.68 1.90 2.12 -1.26 -5.01 118.70 117.84 2vvb s GLU 214 Ca -0.07 1.10 -0.11 0.00 0.36 0.00 0.00 54.97 56.25 2vvb s GLU 214 Cb 0.09 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 2vvb s GLU 214 CO 0.88 -0.54 1.06 -1.25 -0.54 0.00 0.00 175.26 174.87 2vvb s PRO 215 N 2.90 3.09 0.19 4.30 0.04 -1.26 -4.64 135.00 139.63 2vvb s PRO 215 Ca 0.38 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2vvb s PRO 215 Cb -0.15 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2vvb s PRO 215 CO 0.07 -0.94 0.40 0.96 0.04 0.00 0.00 177.00 177.53 2vvb s ILE 216 N -3.16 5.18 -0.15 0.56 -4.36 0.00 -4.88 121.20 114.39 2vvb s ILE 216 Ca 0.57 -0.23 -0.09 0.00 -0.26 0.00 0.00 60.65 60.64 2vvb s ILE 216 Cb -0.12 -3.71 -0.05 0.00 1.25 0.00 0.00 42.46 39.84 2vvb s ILE 216 CO 0.54 -0.13 0.16 -0.44 0.24 0.00 0.00 174.94 175.30 2vvb s SER 217 N -2.98 6.33 0.20 4.36 0.01 -1.26 -1.08 113.70 119.28 2vvb s SER 217 Ca 0.39 0.39 0.08 0.00 1.31 0.00 0.00 55.95 58.13 2vvb s SER 217 Cb -0.11 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2vvb s SER 217 CO 0.28 0.29 -0.16 0.68 0.41 0.00 0.00 173.24 174.74 2vvb s VAL 218 N -0.33 1.86 0.46 3.43 -7.23 0.16 -3.46 120.40 115.29 2vvb s VAL 218 Ca 0.12 -2.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 2vvb s VAL 218 Cb -0.12 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2vvb s VAL 218 CO 0.02 -0.50 0.75 -0.94 -0.31 0.00 0.00 175.10 174.11 2vvb s SER 219 N -3.18 6.27 0.26 4.85 1.04 -1.17 -0.46 113.70 121.31 2vvb s SER 219 Ca 0.22 0.86 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 2vvb s SER 219 Cb -0.03 -2.22 0.46 0.00 0.10 0.00 0.00 66.02 64.34 2vvb s SER 219 CO 0.08 -0.53 1.83 0.77 0.98 0.00 0.00 173.24 176.37 2vvb h SER 220 N 0.31 0.84 -0.80 7.02 4.64 -1.93 -1.64 113.55 121.99 2vvb h SER 220 Ca -0.47 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2vvb h SER 220 Cb 1.21 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 2vvb h SER 220 CO 0.62 0.48 0.40 -0.33 -0.87 0.00 0.00 176.83 177.12 2vvb h GLU 221 N 0.94 1.13 -0.03 4.77 3.07 -1.95 1.00 114.58 123.52 2vvb h GLU 221 Ca 0.44 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2vvb h GLU 221 Cb 0.38 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2vvb h GLU 221 CO -0.24 0.86 0.02 1.96 -1.40 0.00 0.00 179.01 180.21 2vvb h GLN 222 N 1.12 0.03 0.00 2.33 4.20 -1.80 -2.83 115.11 118.17 2vvb h GLN 222 Ca 0.28 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 2vvb h GLN 222 Cb 0.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2vvb h GLN 222 CO -0.04 0.03 -0.51 -0.24 -0.67 0.00 0.00 178.83 177.40 2vvb h VAL 223 N 0.02 1.14 -0.25 -0.54 3.04 -0.95 -2.69 116.25 116.02 2vvb h VAL 223 Ca 0.01 -1.91 -0.01 0.00 -1.01 0.00 0.00 66.70 63.78 2vvb h VAL 223 Cb 0.01 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2vvb h VAL 223 CO -0.00 0.50 0.10 -0.07 -1.01 0.00 0.00 177.57 177.09 2vvb h LEU 224 N 0.00 0.31 -0.82 3.16 3.38 -0.68 -2.31 115.31 118.34 2vvb h LEU 224 Ca -0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2vvb h LEU 224 Cb 1.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2vvb h LEU 224 CO 0.07 0.29 -0.38 0.11 0.09 0.00 0.00 178.44 178.61 2vvb h LYS 225 N 0.35 0.42 -0.73 1.13 1.57 -1.23 -2.72 116.57 115.36 2vvb h LYS 225 Ca 0.09 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2vvb h LYS 225 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2vvb h LYS 225 CO -0.01 0.74 0.35 0.74 -0.57 0.00 0.00 179.45 180.70 2vvb h PHE 226 N 0.35 1.04 0.00 -1.35 -1.00 -1.35 -2.82 116.94 111.82 2vvb h PHE 226 Ca 0.04 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2vvb h PHE 226 Cb 0.83 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2vvb h PHE 226 CO 0.02 0.75 0.00 0.54 -1.61 0.00 0.00 178.31 178.02 2vvb n ARG 227 N -4.33 0.87 0.02 1.51 1.74 -0.97 -2.60 116.66 112.90 2vvb n ARG 227 Ca 0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2vvb n ARG 227 Cb 0.14 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.25 2vvb n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2vvb n LYS 228 N -1.02 0.13 -0.84 5.56 5.02 -1.06 -4.50 118.16 121.45 2vvb n LYS 228 Ca 0.21 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.22 2vvb n LYS 228 Cb 0.11 -1.57 0.17 0.00 -0.02 0.00 0.00 35.03 33.72 2vvb n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vvb s LEU 229 N -3.50 2.24 0.01 -0.35 1.43 -1.07 -4.85 118.68 112.59 2vvb s LEU 229 Ca 0.08 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 2vvb s LEU 229 Cb 0.16 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 2vvb s LEU 229 CO 0.73 -3.16 -0.23 0.20 0.23 0.00 0.00 176.35 174.12 2vvb s ASN 230 N -2.88 2.74 0.22 2.29 0.02 0.32 -0.02 114.94 117.62 2vvb s ASN 230 Ca 0.66 -0.48 0.03 0.00 -1.02 0.00 0.00 52.86 52.05 2vvb s ASN 230 Cb -0.22 -0.27 0.19 0.00 0.02 0.00 0.00 41.25 40.97 2vvb s ASN 230 CO 0.59 0.25 1.52 -0.26 0.02 0.00 0.00 177.10 179.22 2vvb h PHE 231 N 5.21 0.34 -4.33 2.20 0.05 -1.44 -3.37 116.94 115.61 2vvb h PHE 231 Ca -0.43 -0.14 -0.50 0.00 3.82 0.00 0.00 57.97 60.72 2vvb h PHE 231 Cb 1.14 -0.06 0.10 0.00 2.00 0.00 0.00 35.95 39.13 2vvb h PHE 231 CO 0.44 0.84 0.36 0.54 -0.18 0.00 0.00 178.31 180.31 2vvb s ASN 232 N -6.91 5.14 0.73 2.17 4.22 -1.26 -4.44 114.94 114.59 2vvb s ASN 232 Ca -0.04 1.52 -0.11 0.00 -2.14 0.00 0.00 52.86 52.09 2vvb s ASN 232 Cb 0.12 -2.36 0.03 0.00 1.28 0.00 0.00 41.25 40.32 2vvb s ASN 232 CO 0.81 -1.59 1.08 -0.83 -2.04 0.00 0.00 177.10 174.53 2vvb s GLY 233 N -3.84 1.64 0.19 0.45 0.00 -1.26 -1.07 107.32 103.43 2vvb s GLY 233 Ca 0.59 -0.19 -0.33 0.00 0.00 0.00 0.00 44.72 44.79 2vvb s GLY 233 CO 0.55 0.18 1.36 -2.21 0.00 0.00 0.00 173.10 172.98 2vvb n GLU 234 N -3.17 1.72 -0.46 2.90 2.13 -1.26 -2.25 120.64 120.24 2vvb n GLU 234 Ca 0.07 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2vvb n GLU 234 Cb 0.56 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.02 2vvb n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vvb n GLY 235 N 2.37 1.99 3.92 8.31 0.00 -1.26 -5.02 105.19 115.49 2vvb n GLY 235 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2vvb n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vvb s GLU 236 N -0.03 2.81 0.20 1.61 2.02 -0.95 -5.00 118.70 119.35 2vvb s GLU 236 Ca 0.00 -0.06 -0.33 0.00 0.02 0.00 0.00 54.97 54.61 2vvb s GLU 236 Cb 0.00 -2.26 -0.13 0.00 0.10 0.00 0.00 34.13 31.84 2vvb s GLU 236 CO 0.00 -0.78 1.59 -2.30 0.02 0.00 0.00 175.26 173.80 2vvb n PRO 237 N -2.62 2.35 -2.17 0.39 -0.02 -1.26 -4.87 135.00 126.79 2vvb n PRO 237 Ca 0.05 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 2vvb n PRO 237 Cb 0.58 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2vvb n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2vvb s GLU 238 N 0.64 4.25 -0.23 -0.52 2.12 -1.26 -4.78 118.70 118.92 2vvb s GLU 238 Ca 0.75 2.01 0.01 0.00 0.36 0.00 0.00 54.97 58.10 2vvb s GLU 238 Cb -0.61 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.18 2vvb s GLU 238 CO 0.39 -0.65 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.18 2vvb s GLU 239 N 2.78 1.86 0.40 4.30 2.02 -1.26 -5.06 118.70 123.74 2vvb s GLU 239 Ca 0.66 -1.00 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 2vvb s GLU 239 Cb -0.32 -2.58 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 2vvb s GLU 239 CO 0.26 -0.54 1.43 -0.51 0.02 0.00 0.00 175.26 175.93 2vvb s LEU 240 N 1.34 4.25 -0.98 1.80 1.43 -1.26 -1.29 118.68 123.98 2vvb s LEU 240 Ca -0.05 2.94 -0.22 0.00 -1.03 0.00 0.00 54.13 55.77 2vvb s LEU 240 Cb -0.18 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.34 2vvb s LEU 240 CO -0.07 -0.94 1.34 -0.32 0.23 0.00 0.00 176.35 176.59 2vvb s MET 241 N -2.20 3.57 0.05 1.70 -2.45 0.97 -4.59 119.30 116.35 2vvb s MET 241 Ca 0.55 -1.27 -0.04 0.00 -1.25 0.00 0.00 55.69 53.68 2vvb s MET 241 Cb -0.44 -5.16 -0.02 0.00 1.25 0.00 0.00 34.83 30.46 2vvb s MET 241 CO 0.59 -2.07 0.05 0.14 1.05 0.00 0.00 175.02 174.78 2vvb s VAL 242 N 4.31 0.16 -1.39 10.11 -7.23 -1.26 -4.53 120.40 120.57 2vvb s VAL 242 Ca 0.41 -1.33 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2vvb s VAL 242 Cb -0.02 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.85 2vvb s VAL 242 CO -0.09 -0.73 0.97 0.47 -0.31 0.00 0.00 175.10 175.41 2vvb n ASP 243 N 0.51 -3.90 -2.43 4.85 8.00 -0.52 -4.88 116.55 118.19 2vvb n ASP 243 Ca -0.17 -0.71 -0.25 0.00 0.71 0.00 0.00 54.79 54.37 2vvb n ASP 243 Cb 0.60 -4.39 -0.06 0.00 -0.02 0.00 0.00 41.12 37.25 2vvb n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2vvb n ASN 244 N -2.98 6.39 -4.19 -2.24 6.94 -1.09 -4.87 115.26 113.22 2vvb n ASN 244 Ca -0.10 -3.15 -0.26 0.00 -0.02 0.00 0.00 54.58 51.05 2vvb n ASN 244 Cb 0.59 -1.24 -0.15 0.00 -2.36 0.00 0.00 39.78 36.62 2vvb n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2vvb s TRP 245 N -1.54 1.68 0.02 -2.53 1.48 -1.26 -4.54 118.94 112.26 2vvb s TRP 245 Ca 0.58 -0.32 -0.20 0.00 -1.06 0.00 0.00 56.10 55.10 2vvb s TRP 245 Cb 0.37 -1.08 -0.06 0.00 -1.16 0.00 0.00 33.47 31.54 2vvb s TRP 245 CO -0.20 -0.03 0.57 0.50 -4.06 0.00 0.00 176.95 173.74 2vvb s ARG 246 N -0.47 4.25 0.80 3.25 3.52 -1.26 -4.95 118.95 124.09 2vvb s ARG 246 Ca 0.07 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.27 2vvb s ARG 246 Cb -0.07 -3.30 0.07 0.00 -1.56 0.00 0.00 34.95 30.09 2vvb s ARG 246 CO -0.01 0.49 1.10 -1.25 -0.81 0.00 0.00 175.30 174.82 2vvb s PRO 247 N -0.58 2.10 0.42 5.12 0.04 -1.26 -4.62 135.00 136.22 2vvb s PRO 247 Ca 0.30 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.68 2vvb s PRO 247 Cb -0.19 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2vvb s PRO 247 CO 0.18 -1.60 1.19 0.00 0.04 0.00 0.00 177.00 176.81 2vvb n ALA 248 N -3.41 0.94 -2.57 8.56 0.00 -1.26 -4.39 120.51 118.38 2vvb n ALA 248 Ca 0.07 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 2vvb n ALA 248 Cb 0.57 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.72 2vvb n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vvb s GLN 249 N -2.15 2.05 0.23 0.00 -1.52 0.64 -4.96 119.66 113.95 2vvb s GLN 249 Ca 0.62 -1.49 -0.31 0.00 -1.95 0.00 0.00 55.36 52.23 2vvb s GLN 249 Cb -0.53 -2.04 -0.12 0.00 -0.22 0.00 0.00 33.01 30.10 2vvb s GLN 249 CO 0.58 0.37 1.69 -2.30 -0.25 0.00 0.00 175.29 175.38 2vvb n PRO 250 N -0.58 2.77 0.13 2.91 -0.02 -1.26 -4.60 135.00 134.35 2vvb n PRO 250 Ca -0.07 1.00 0.02 0.00 -2.02 0.00 0.00 63.50 62.42 2vvb n PRO 250 Cb 0.58 -2.83 0.38 0.00 -0.02 0.00 0.00 33.50 31.61 2vvb n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2vvb h LEU 251 N 6.22 0.18 0.00 2.45 5.85 -1.94 -3.43 115.31 124.64 2vvb h LEU 251 Ca -0.44 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2vvb h LEU 251 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2vvb h LEU 251 CO 0.91 0.39 0.00 0.29 -0.34 0.00 0.00 178.44 179.69 2vvb n LYS 252 N -4.23 0.00 0.00 1.25 4.76 -1.26 -2.42 118.16 116.25 2vvb n LYS 252 Ca -0.01 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.58 2vvb n LYS 252 Cb 0.31 0.00 0.82 0.00 -1.84 0.00 0.00 35.03 34.32 2vvb n LYS 252 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2vvb n ASN 253 N 2.87 0.00 -4.85 4.39 0.23 -1.26 -4.94 115.26 111.71 2vvb n ASN 253 Ca 0.00 -0.47 -0.32 0.00 -0.53 0.00 0.00 54.58 53.27 2vvb n ASN 253 Cb 0.00 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.49 2vvb n ASN 253 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2vvb s ARG 254 N -2.35 3.94 -0.04 -3.83 0.52 -1.02 -5.05 118.95 111.13 2vvb s ARG 254 Ca 0.36 0.90 0.04 0.00 -0.52 0.00 0.00 55.73 56.50 2vvb s ARG 254 Cb 0.21 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2vvb s ARG 254 CO 0.42 -0.23 -0.13 -0.65 0.02 0.00 0.00 175.30 174.73 2vvb s GLN 255 N -3.99 2.49 -0.17 3.54 -0.21 -1.26 -5.03 119.66 115.02 2vvb s GLN 255 Ca 0.58 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 55.18 2vvb s GLN 255 Cb -0.10 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2vvb s GLN 255 CO 0.30 0.62 0.04 0.42 -2.12 0.00 0.00 175.29 174.55 2vvb s ILE 256 N -0.79 4.62 0.02 1.08 1.01 -1.26 -4.64 121.20 121.23 2vvb s ILE 256 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2vvb s ILE 256 Cb -0.11 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2vvb s ILE 256 CO 0.02 0.47 -0.05 -0.54 0.00 0.00 0.00 174.94 174.84 2vvb s LYS 257 N 0.33 2.58 -0.04 2.79 -0.14 -0.66 -2.87 119.74 121.73 2vvb s LYS 257 Ca 0.02 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 53.90 2vvb s LYS 257 Cb -0.13 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 2vvb s LYS 257 CO 0.01 0.60 0.01 0.00 -0.76 0.00 0.00 175.35 175.20 2vvb s ALA 258 N -1.06 3.30 -0.92 5.17 0.00 0.53 -0.75 121.76 128.02 2vvb s ALA 258 Ca 0.19 -0.87 0.27 0.00 0.00 0.00 0.00 51.96 51.54 2vvb s ALA 258 Cb -0.11 -1.42 0.85 0.00 0.00 0.00 0.00 23.12 22.43 2vvb s ALA 258 CO 0.10 0.62 1.68 -1.13 0.00 0.00 0.00 175.76 177.02 2vvb n SER 259 N 1.74 0.34 -4.30 0.00 3.41 -0.03 -1.33 113.62 113.45 2vvb n SER 259 Ca -0.16 0.23 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 2vvb n SER 259 Cb 0.53 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.13 2vvb n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2vvb s PHE 260 N -3.03 1.94 -2.00 7.33 -0.12 -1.26 -4.87 117.98 115.96 2vvb s PHE 260 Ca 0.12 -0.40 0.29 0.00 -0.05 0.00 0.00 56.93 56.89 2vvb s PHE 260 Cb 0.17 -1.09 1.75 0.00 -0.63 0.00 0.00 43.02 43.23 2vvb s PHE 260 CO 0.61 0.20 2.09 1.63 -0.05 0.00 0.00 175.22 179.71