#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raz s HIS 4 N 0.00 3.45 0.76 1.57 5.04 -1.26 -5.06 115.29 119.80 1raz s HIS 4 Ca 0.00 0.30 -0.15 0.00 -1.54 0.00 0.00 55.06 53.67 1raz s HIS 4 Cb 0.00 -1.93 0.04 0.00 0.04 0.00 0.00 32.58 30.74 1raz s HIS 4 CO 0.00 0.08 1.12 -2.67 -2.34 0.00 0.00 174.74 170.93 1raz n TRP 5 N -1.79 1.10 -0.98 3.88 4.27 -1.26 -4.89 117.44 117.77 1raz n TRP 5 Ca -0.04 0.40 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1raz n TRP 5 Cb 0.56 -2.11 0.00 0.00 -1.36 0.00 0.00 31.31 28.40 1raz n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1raz n GLY 6 N 0.81 2.49 0.00 -1.67 0.00 -0.67 -5.05 105.19 101.10 1raz n GLY 6 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1raz n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1raz n TYR 7 N 0.00 0.00 -1.72 1.61 4.01 -1.26 -4.02 117.16 115.77 1raz n TYR 7 Ca 0.00 -0.18 -0.30 0.00 -0.16 0.00 0.00 57.90 57.26 1raz n TYR 7 Cb 0.00 -0.02 0.21 0.00 -0.31 0.00 0.00 39.34 39.22 1raz n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1raz s GLY 8 N -0.36 1.75 0.11 2.72 0.00 -1.26 -4.63 107.32 105.65 1raz s GLY 8 Ca 0.00 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 43.27 1raz s GLY 8 CO 0.00 -0.38 1.67 1.70 0.00 0.00 0.00 173.10 176.10 1raz h LYS 9 N -1.95 -0.28 0.00 2.90 1.63 -1.98 0.32 116.57 117.22 1raz h LYS 9 Ca -0.44 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1raz h LYS 9 Cb 1.24 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1raz h LYS 9 CO 0.34 -0.19 -0.07 0.45 -3.45 0.00 0.00 179.45 176.53 1raz h HIS 10 N -0.29 0.00 0.00 1.91 3.86 -2.01 -3.35 115.15 115.27 1raz h HIS 10 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1raz h HIS 10 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1raz h HIS 10 CO -0.19 0.00 -0.10 0.27 0.86 0.00 0.00 177.93 178.76 1raz n ASN 11 N -2.35 0.88 -4.22 2.45 6.94 -1.16 -4.89 115.26 112.90 1raz n ASN 11 Ca 0.05 -1.78 -0.29 0.00 -0.02 0.00 0.00 54.58 52.54 1raz n ASN 11 Cb 0.44 -0.10 0.26 0.00 -2.36 0.00 0.00 39.78 38.02 1raz n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1raz s GLY 12 N -0.90 1.51 0.58 4.83 0.00 0.11 -1.67 107.32 111.78 1raz s GLY 12 Ca 0.05 -0.38 0.30 0.00 0.00 0.00 0.00 44.72 44.69 1raz s GLY 12 CO 0.00 0.43 1.81 -2.55 0.00 0.00 0.00 173.10 172.79 1raz h PRO 13 N -2.80 0.00 0.00 2.90 0.11 -1.85 0.29 132.00 130.64 1raz h PRO 13 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1raz h PRO 13 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1raz h PRO 13 CO 0.46 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 1raz n GLU 14 N -3.74 0.07 -0.00 1.05 -0.58 -1.26 -2.25 120.64 113.92 1raz n GLU 14 Ca 0.13 0.32 0.07 0.00 -0.42 0.00 0.00 57.16 57.25 1raz n GLU 14 Cb 0.86 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 30.01 1raz n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1raz n HIS 15 N -1.78 0.00 -0.00 -0.32 8.25 0.10 -4.63 115.22 116.84 1raz n HIS 15 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1raz n HIS 15 Cb 0.19 -0.04 0.42 0.00 1.12 0.00 0.00 29.99 31.68 1raz n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1raz h TRP 16 N 0.00 0.52 -0.87 4.41 6.55 -1.48 -2.67 115.95 122.42 1raz h TRP 16 Ca 0.00 0.01 0.21 0.00 0.95 0.00 0.00 58.89 60.07 1raz h TRP 16 Cb 0.37 -0.18 -0.05 0.00 -0.86 0.00 0.00 29.16 28.44 1raz h TRP 16 CO 0.00 0.33 0.59 1.12 -1.05 0.00 0.00 178.44 179.43 1raz h HIS 17 N 0.56 0.34 -0.60 0.49 2.07 -1.78 0.12 115.15 116.37 1raz h HIS 17 Ca 0.15 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.65 1raz h HIS 17 Cb -0.06 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 29.78 1raz h HIS 17 CO -0.00 0.09 0.22 0.87 -3.07 0.00 0.00 177.93 176.04 1raz h LYS 18 N 0.26 0.88 0.00 5.12 1.57 -1.83 -2.90 116.57 119.67 1raz h LYS 18 Ca 0.44 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1raz h LYS 18 Cb 1.30 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1raz h LYS 18 CO -0.11 0.73 -2.09 -0.25 -0.57 0.00 0.00 179.45 177.16 1raz n ASP 19 N -4.31 0.08 -3.56 0.86 8.00 -0.82 -4.72 116.55 112.07 1raz n ASP 19 Ca 0.05 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 1raz n ASP 19 Cb 0.18 1.72 -0.12 0.00 -0.02 0.00 0.00 41.12 42.88 1raz n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1raz s PHE 20 N -3.23 1.49 0.63 1.24 0.40 -0.03 -4.98 117.98 113.51 1raz s PHE 20 Ca -0.08 -2.24 0.36 0.00 -0.60 0.00 0.00 56.93 54.37 1raz s PHE 20 Cb 0.12 -1.39 2.05 0.00 0.51 0.00 0.00 43.02 44.31 1raz s PHE 20 CO 0.87 -0.79 2.26 -1.35 0.70 0.00 0.00 175.22 176.91 1raz h PRO 21 N 6.38 0.00 0.00 0.24 0.11 -1.74 -1.02 132.00 135.96 1raz h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1raz h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1raz h PRO 21 CO 0.41 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.17 1raz h ILE 22 N 0.00 0.00 -0.51 4.15 2.10 -1.91 -2.25 117.51 119.09 1raz h ILE 22 Ca 0.01 -0.01 0.15 0.00 1.08 0.00 0.00 64.86 66.09 1raz h ILE 22 Cb 0.13 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 1raz h ILE 22 CO -0.00 0.00 0.45 0.00 -1.08 0.00 0.00 178.15 177.52 1raz h ALA 23 N 2.00 2.32 -0.57 0.18 0.00 -1.50 0.13 119.26 121.83 1raz h ALA 23 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1raz h ALA 23 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1raz h ALA 23 CO 0.00 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 180.17 1raz n LYS 24 N -3.98 2.99 -0.13 0.00 5.02 -0.85 -4.96 118.16 116.25 1raz n LYS 24 Ca 0.09 -2.53 -0.13 0.00 -2.02 0.00 0.00 58.31 53.73 1raz n LYS 24 Cb 0.66 -1.55 0.12 0.00 -0.02 0.00 0.00 35.03 34.24 1raz n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1raz n GLY 25 N 1.08 -3.68 0.08 0.72 0.00 0.46 -4.98 105.19 98.86 1raz n GLY 25 Ca 0.21 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1raz n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1raz h GLU 26 N 0.00 0.00 -0.68 1.61 4.39 -1.95 -3.39 114.58 114.57 1raz h GLU 26 Ca -0.17 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.18 1raz h GLU 26 Cb 0.55 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.80 1raz h GLU 26 CO 0.10 0.00 -1.05 2.89 -1.16 0.00 0.00 179.01 179.79 1raz n ARG 27 N -2.30 2.12 -2.49 2.33 1.85 -1.26 -4.67 116.66 112.24 1raz n ARG 27 Ca 0.02 -3.66 -0.37 0.00 -1.00 0.00 0.00 57.85 52.83 1raz n ARG 27 Cb 0.48 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 1raz n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1raz s GLN 28 N -3.62 4.17 0.20 2.89 -1.52 -1.26 -2.18 119.66 118.35 1raz s GLN 28 Ca 0.33 1.59 0.08 0.00 -1.95 0.00 0.00 55.36 55.42 1raz s GLN 28 Cb 0.37 -2.61 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 1raz s GLN 28 CO -0.02 -0.15 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.59 1raz s SER 29 N -1.44 2.73 1.01 5.90 0.01 -1.26 -4.65 113.70 115.99 1raz s SER 29 Ca 0.57 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.71 1raz s SER 29 Cb -0.24 -0.16 0.19 0.00 0.21 0.00 0.00 66.02 66.02 1raz s SER 29 CO 0.30 -0.11 1.12 -0.81 0.41 0.00 0.00 173.24 174.16 1raz n PRO 30 N -0.24 -1.16 -4.14 12.44 -0.04 -1.26 -4.62 135.00 135.99 1raz n PRO 30 Ca -0.09 -1.73 -0.11 0.00 -0.04 0.00 0.00 63.50 61.53 1raz n PRO 30 Cb 0.59 -1.17 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 1raz n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1raz s VAL 31 N -3.44 0.01 -0.10 0.52 -7.23 -1.26 0.59 120.40 109.50 1raz s VAL 31 Ca 0.64 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 1raz s VAL 31 Cb -0.02 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1raz s VAL 31 CO 0.45 -0.03 0.49 -0.62 -0.31 0.00 0.00 175.10 175.08 1raz s ASP 32 N -3.11 6.73 -0.30 4.85 2.15 -1.26 -3.50 116.67 122.23 1raz s ASP 32 Ca 0.33 0.87 -0.19 0.00 0.43 0.00 0.00 52.55 53.99 1raz s ASP 32 Cb 0.05 -2.29 -0.01 0.00 -0.30 0.00 0.00 42.92 40.36 1raz s ASP 32 CO 0.10 0.03 0.55 -0.63 -0.17 0.00 0.00 175.17 175.06 1raz s ILE 33 N 0.41 5.01 -0.59 4.11 1.01 0.66 -4.95 121.20 126.87 1raz s ILE 33 Ca 0.26 0.71 -0.17 0.00 0.00 0.00 0.00 60.65 61.46 1raz s ILE 33 Cb -0.16 -3.92 0.13 0.00 0.01 0.00 0.00 42.46 38.53 1raz s ILE 33 CO 0.11 -0.07 0.58 -0.62 0.00 0.00 0.00 174.94 174.95 1raz s ASP 34 N 1.64 6.25 0.65 3.58 2.15 -1.26 -0.05 116.67 129.63 1raz s ASP 34 Ca 0.22 -1.79 0.39 0.00 0.43 0.00 0.00 52.55 51.79 1raz s ASP 34 Cb -0.15 -2.24 2.14 0.00 -0.30 0.00 0.00 42.92 42.38 1raz s ASP 34 CO 0.11 -0.90 2.26 0.71 -0.17 0.00 0.00 175.17 177.18 1raz h THR 35 N 5.79 0.13 0.00 1.71 1.35 -1.95 -1.80 112.91 118.15 1raz h THR 35 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1raz h THR 35 Cb 1.09 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1raz h THR 35 CO 1.03 0.00 -1.01 1.41 -0.25 0.00 0.00 175.52 176.70 1raz n HIS 36 N -3.24 0.93 0.89 4.73 8.25 -1.26 -4.06 115.22 121.46 1raz n HIS 36 Ca -0.02 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.80 1raz n HIS 36 Cb 0.15 -0.93 -0.01 0.00 1.12 0.00 0.00 29.99 30.32 1raz n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1raz n THR 37 N -2.63 0.00 -2.63 1.59 -1.04 -0.75 -4.93 114.28 103.88 1raz n THR 37 Ca 0.00 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1raz n THR 37 Cb 0.54 1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 70.24 1raz n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1raz s ALA 38 N -2.26 3.31 -0.22 2.41 0.00 -0.77 -4.82 121.76 119.40 1raz s ALA 38 Ca 0.16 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1raz s ALA 38 Cb 0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1raz s ALA 38 CO 0.51 -0.09 0.47 0.21 0.00 0.00 0.00 175.76 176.86 1raz s LYS 39 N -0.24 4.14 0.08 0.00 2.36 -0.29 -4.83 119.74 120.95 1raz s LYS 39 Ca 0.48 0.29 -0.31 0.00 -2.55 0.00 0.00 55.97 53.88 1raz s LYS 39 Cb -0.26 -3.59 -0.07 0.00 -1.05 0.00 0.00 37.83 32.86 1raz s LYS 39 CO 0.32 -0.18 1.39 -0.47 1.55 0.00 0.00 175.35 177.96 1raz s TYR 40 N 1.74 3.12 -0.20 4.03 5.04 -1.26 -0.74 117.35 129.08 1raz s TYR 40 Ca 0.21 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.77 1raz s TYR 40 Cb -0.15 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.52 1raz s TYR 40 CO 0.09 -2.38 -0.16 0.34 -1.34 0.00 0.00 175.55 172.10 1raz s ASP 41 N 1.36 3.49 0.00 4.32 2.15 -0.71 -4.87 116.67 122.41 1raz s ASP 41 Ca 0.64 -0.87 0.31 0.00 0.43 0.00 0.00 52.55 53.07 1raz s ASP 41 Cb -0.35 -1.44 1.79 0.00 -0.30 0.00 0.00 42.92 42.61 1raz s ASP 41 CO 0.29 -0.07 2.17 -0.81 -0.17 0.00 0.00 175.17 176.58 1raz n PRO 42 N 4.59 0.89 0.02 4.34 -0.04 -1.26 -2.90 135.00 140.63 1raz n PRO 42 Ca -0.18 -0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1raz n PRO 42 Cb 0.47 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 1raz n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1raz n SER 43 N -1.03 0.61 -4.72 3.54 3.41 -1.26 -4.83 113.62 109.34 1raz n SER 43 Ca 0.22 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 1raz n SER 43 Cb 0.15 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1raz n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1raz s LEU 44 N -3.39 4.41 0.62 1.04 1.43 -1.14 -5.02 118.68 116.62 1raz s LEU 44 Ca 0.08 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.12 1raz s LEU 44 Cb 0.16 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1raz s LEU 44 CO 0.74 -0.37 0.94 -0.54 0.23 0.00 0.00 176.35 177.36 1raz s LYS 45 N 0.59 2.80 0.53 1.70 1.02 -1.23 -4.99 119.74 120.16 1raz s LYS 45 Ca 0.55 0.01 -0.19 0.00 0.02 0.00 0.00 55.97 56.36 1raz s LYS 45 Cb -0.29 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1raz s LYS 45 CO 0.31 -0.82 1.08 -1.25 -0.92 0.00 0.00 175.35 173.75 1raz s PRO 46 N -5.07 3.51 0.69 -1.68 0.05 -1.26 -2.86 135.00 128.37 1raz s PRO 46 Ca 0.55 1.44 -0.13 0.00 0.05 0.00 0.00 61.00 62.91 1raz s PRO 46 Cb -0.11 -2.04 0.01 0.00 0.05 0.00 0.00 34.50 32.41 1raz s PRO 46 CO 0.46 -0.69 1.08 -0.51 0.05 0.00 0.00 177.00 177.39 1raz s LEU 47 N -3.82 3.26 -0.25 -3.56 1.43 -1.26 -1.82 118.68 112.66 1raz s LEU 47 Ca 0.69 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1raz s LEU 47 Cb -0.19 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.57 1raz s LEU 47 CO 0.26 -1.63 0.02 -0.55 0.23 0.00 0.00 176.35 174.68 1raz s SER 48 N -3.09 3.66 -0.37 2.29 0.15 -0.36 -4.85 113.70 111.13 1raz s SER 48 Ca 0.63 -1.24 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 1raz s SER 48 Cb -0.17 -0.95 0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1raz s SER 48 CO 0.47 -0.31 0.16 -0.69 1.20 0.00 0.00 173.24 174.07 1raz s VAL 49 N 1.56 3.60 -0.55 4.45 1.01 -1.26 -1.86 120.40 127.35 1raz s VAL 49 Ca 0.01 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 1raz s VAL 49 Cb -0.18 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1raz s VAL 49 CO -0.12 -0.41 0.38 -0.44 0.00 0.00 0.00 175.10 174.51 1raz s SER 50 N 1.70 5.45 -0.03 3.32 0.01 -0.38 -4.87 113.70 118.91 1raz s SER 50 Ca 0.02 -2.42 0.04 0.00 1.31 0.00 0.00 55.95 54.90 1raz s SER 50 Cb -0.22 -1.90 0.06 0.00 0.21 0.00 0.00 66.02 64.17 1raz s SER 50 CO -0.00 -0.50 1.02 -1.22 0.41 0.00 0.00 173.24 172.95 1raz n TYR 51 N 4.13 0.00 0.32 2.43 4.01 -1.26 -1.49 117.16 125.29 1raz n TYR 51 Ca 0.02 -0.59 0.21 0.00 -0.16 0.00 0.00 57.90 57.38 1raz n TYR 51 Cb 0.40 -0.07 1.05 0.00 -0.31 0.00 0.00 39.34 40.41 1raz n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1raz h ASP 52 N 0.00 0.00 -0.29 7.72 2.03 -1.89 -2.39 116.42 121.60 1raz h ASP 52 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1raz h ASP 52 Cb 0.61 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1raz h ASP 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 1raz n GLN 53 N -3.10 3.02 -1.91 4.15 1.13 -1.26 -5.02 117.38 114.39 1raz n GLN 53 Ca -0.02 -2.89 -0.41 0.00 -1.94 0.00 0.00 57.00 51.74 1raz n GLN 53 Cb 0.15 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.60 1raz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1raz s ALA 54 N -2.85 3.58 -0.27 -1.58 0.00 -0.90 -4.62 121.76 115.12 1raz s ALA 54 Ca 0.43 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.87 1raz s ALA 54 Cb 0.35 -3.57 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1raz s ALA 54 CO 0.09 -0.90 -0.01 0.99 0.00 0.00 0.00 175.76 175.93 1raz s THR 55 N -0.89 1.54 0.40 0.00 2.01 -1.26 -4.94 115.64 112.51 1raz s THR 55 Ca 0.53 -1.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1raz s THR 55 Cb -0.44 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1raz s THR 55 CO 0.57 -0.29 0.73 -0.94 -0.69 0.00 0.00 174.62 174.00 1raz s SER 56 N 1.35 6.44 0.08 3.53 1.04 -1.26 -1.42 113.70 123.47 1raz s SER 56 Ca -0.00 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1raz s SER 56 Cb -0.19 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1raz s SER 56 CO -0.10 -0.40 0.00 0.18 0.98 0.00 0.00 173.24 173.90 1raz n LEU 57 N -1.47 0.44 -3.88 2.42 4.77 -0.41 -4.11 117.00 114.76 1raz n LEU 57 Ca 0.01 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1raz n LEU 57 Cb 0.54 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1raz n LEU 57 CO 0.49 -0.48 -0.16 -0.60 -1.33 0.00 0.00 177.39 175.31 1raz s ARG 58 N -2.00 0.58 0.01 3.23 3.52 -1.23 0.63 118.95 123.70 1raz s ARG 58 Ca 0.00 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1raz s ARG 58 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 1raz s ARG 58 CO 0.00 -0.15 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.80 1raz s ILE 59 N -2.12 3.86 -0.13 4.11 2.07 -0.24 -1.03 121.20 127.72 1raz s ILE 59 Ca -0.09 -0.74 -0.10 0.00 -1.41 0.00 0.00 60.65 58.31 1raz s ILE 59 Cb -0.04 -2.71 0.04 0.00 0.13 0.00 0.00 42.46 39.88 1raz s ILE 59 CO -0.02 0.36 0.34 -0.22 -1.91 0.00 0.00 174.94 173.49 1raz s LEU 60 N -1.56 0.48 -0.19 8.50 2.96 -0.72 -1.13 118.68 127.02 1raz s LEU 60 Ca 0.19 0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 54.63 1raz s LEU 60 Cb -0.11 1.15 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 1raz s LEU 60 CO 0.09 -0.14 0.49 0.21 -1.32 0.00 0.00 176.35 175.68 1raz s ASN 61 N 0.60 6.55 0.00 3.68 3.84 0.70 -0.45 114.94 129.87 1raz s ASN 61 Ca -0.03 0.66 0.06 0.00 0.21 0.00 0.00 52.86 53.76 1raz s ASN 61 Cb -0.05 -2.28 0.09 0.00 -0.55 0.00 0.00 41.25 38.47 1raz s ASN 61 CO -0.04 -0.14 0.87 -0.46 -2.79 0.00 0.00 177.10 174.54 1raz n ASN 62 N 4.58 1.89 0.00 -4.21 0.23 -1.12 -1.52 115.26 115.11 1raz n ASN 62 Ca -0.06 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 1raz n ASN 62 Cb 0.51 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1raz n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1raz n GLY 63 N 0.23 0.75 0.00 4.83 0.00 -1.26 -4.80 105.19 104.93 1raz n GLY 63 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1raz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1raz n HIS 64 N -2.37 0.00 -3.75 1.61 8.25 -1.26 -4.70 115.22 112.99 1raz n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1raz n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1raz n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1raz n ALA 65 N -0.60 -0.21 -2.79 -1.41 0.00 -1.26 -4.90 120.51 109.34 1raz n ALA 65 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1raz n ALA 65 Cb 0.01 0.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 1raz n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1raz s PHE 66 N -3.77 2.47 -0.13 0.00 -0.12 -1.26 -2.79 117.98 112.39 1raz s PHE 66 Ca 0.02 -0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 56.14 1raz s PHE 66 Cb -0.00 -1.62 -0.03 0.00 -0.63 0.00 0.00 43.02 40.74 1raz s PHE 66 CO 0.00 -0.22 -0.04 -0.80 -0.05 0.00 0.00 175.22 174.11 1raz s ASN 67 N -0.12 4.81 -0.25 1.98 0.02 0.40 -4.26 114.94 117.52 1raz s ASN 67 Ca -0.05 -0.07 -0.12 0.00 -1.02 0.00 0.00 52.86 51.60 1raz s ASN 67 Cb -0.14 -1.60 -0.05 0.00 0.02 0.00 0.00 41.25 39.49 1raz s ASN 67 CO 0.04 0.24 0.23 -0.69 0.02 0.00 0.00 177.10 176.95 1raz s VAL 68 N -0.08 5.30 0.00 1.60 1.01 0.54 -1.76 120.40 127.01 1raz s VAL 68 Ca 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 1raz s VAL 68 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1raz s VAL 68 CO 0.03 0.28 0.08 -1.61 0.00 0.00 0.00 175.10 173.87 1raz s GLU 69 N 1.45 3.04 0.31 2.72 2.02 -0.20 -0.92 118.70 127.13 1raz s GLU 69 Ca 0.10 -0.51 0.11 0.00 0.02 0.00 0.00 54.97 54.69 1raz s GLU 69 Cb -0.15 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.18 1raz s GLU 69 CO 0.08 0.64 -0.13 -0.06 0.02 0.00 0.00 175.26 175.80 1raz s PHE 70 N -1.20 2.37 -0.47 1.61 0.40 -0.63 -1.29 117.98 118.77 1raz s PHE 70 Ca 0.23 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1raz s PHE 70 Cb -0.12 -1.20 0.03 0.00 0.51 0.00 0.00 43.02 42.24 1raz s PHE 70 CO 0.14 0.64 1.13 0.34 0.70 0.00 0.00 175.22 178.17 1raz s ASP 71 N -3.57 6.64 -0.25 1.36 2.15 -0.50 -4.87 116.67 117.63 1raz s ASP 71 Ca 0.31 0.48 0.13 0.00 0.43 0.00 0.00 52.55 53.91 1raz s ASP 71 Cb -0.01 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.67 1raz s ASP 71 CO 0.16 -1.23 1.56 -0.90 -0.17 0.00 0.00 175.17 174.59 1raz n ASP 72 N 7.79 4.02 0.20 -0.34 5.75 -1.26 -4.49 116.55 128.21 1raz n ASP 72 Ca 0.12 -3.22 0.14 0.00 -0.01 0.00 0.00 54.79 51.82 1raz n ASP 72 Cb 0.49 -0.63 0.50 0.00 -1.03 0.00 0.00 41.12 40.45 1raz n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1raz h SER 73 N 2.04 0.00 -5.24 -1.12 4.64 -1.95 -3.45 113.55 108.47 1raz h SER 73 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1raz h SER 73 Cb 1.78 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.73 1raz h SER 73 CO 0.42 0.00 -0.41 -1.10 -0.87 0.00 0.00 176.83 174.87 1raz s GLN 74 N -3.40 0.96 -1.05 4.77 -0.21 -1.26 -5.05 119.66 114.41 1raz s GLN 74 Ca 0.04 -1.13 -0.24 0.00 0.02 0.00 0.00 55.36 54.05 1raz s GLN 74 Cb 0.09 0.33 -0.15 0.00 1.00 0.00 0.00 33.01 34.28 1raz s GLN 74 CO 0.52 -0.32 1.96 -0.25 -2.12 0.00 0.00 175.29 175.09 1raz n ASP 75 N -0.11 2.42 -0.12 5.90 9.92 -1.26 -4.53 116.55 128.77 1raz n ASP 75 Ca -0.11 -2.63 -0.24 0.00 -0.53 0.00 0.00 54.79 51.29 1raz n ASP 75 Cb 0.63 -1.60 -0.08 0.00 -0.64 0.00 0.00 41.12 39.42 1raz n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1raz n LYS 76 N 8.09 0.51 -3.99 -1.24 5.02 -1.26 -4.86 118.16 120.42 1raz n LYS 76 Ca 0.44 0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 1raz n LYS 76 Cb 0.46 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.97 1raz n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1raz s ALA 77 N -2.50 2.84 0.21 7.82 0.00 -1.26 -4.06 121.76 124.82 1raz s ALA 77 Ca -0.33 -2.24 0.09 0.00 0.00 0.00 0.00 51.96 49.48 1raz s ALA 77 Cb 0.12 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1raz s ALA 77 CO 0.42 -1.52 -0.17 0.14 0.00 0.00 0.00 175.76 174.63 1raz s VAL 78 N 1.03 1.95 -0.06 0.00 -7.23 -0.56 0.68 120.40 116.22 1raz s VAL 78 Ca 0.03 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1raz s VAL 78 Cb -0.20 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 1raz s VAL 78 CO -0.06 -0.47 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.85 1raz s LEU 79 N -3.18 1.95 0.29 1.32 2.96 -0.12 -1.25 118.68 120.65 1raz s LEU 79 Ca 0.23 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 1raz s LEU 79 Cb -0.03 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1raz s LEU 79 CO 0.09 0.16 0.52 -1.59 -1.32 0.00 0.00 176.35 174.21 1raz s LYS 80 N 0.12 1.73 0.67 1.98 -2.85 -0.78 -1.93 119.74 118.67 1raz s LYS 80 Ca -0.08 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 1raz s LYS 80 Cb -0.14 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1raz s LYS 80 CO 0.04 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.17 1raz n GLY 81 N -0.45 -1.80 7.00 0.59 0.00 -1.26 -1.22 105.19 108.05 1raz n GLY 81 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1raz n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1raz n GLY 82 N 0.00 2.92 0.43 -0.02 0.00 -0.75 -1.31 105.19 106.45 1raz n GLY 82 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1raz n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1raz n PRO 83 N 14.00 1.55 -3.33 1.61 -0.04 -1.26 -3.55 135.00 143.98 1raz n PRO 83 Ca 0.00 -0.84 -0.27 0.00 -0.04 0.00 0.00 63.50 62.35 1raz n PRO 83 Cb 0.00 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 1raz n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1raz s LEU 84 N -1.21 4.03 -0.08 1.53 1.43 -0.43 -5.11 118.68 118.85 1raz s LEU 84 Ca 0.22 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 1raz s LEU 84 Cb 0.11 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 1raz s LEU 84 CO 0.16 -0.23 -0.23 -1.81 0.23 0.00 0.00 176.35 174.47 1raz s ASP 85 N -3.43 3.20 0.08 2.29 1.01 -1.26 -4.33 116.67 114.23 1raz s ASP 85 Ca 0.43 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.19 1raz s ASP 85 Cb -0.10 -1.07 0.00 0.00 1.01 0.00 0.00 42.92 42.75 1raz s ASP 85 CO 0.32 0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.53 1raz n GLY 86 N 3.13 -2.17 3.68 0.21 0.00 -1.26 -4.89 105.19 103.89 1raz n GLY 86 Ca -0.18 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1raz n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1raz s THR 87 N -1.10 4.56 -0.28 2.61 2.01 -1.26 -4.68 115.64 117.49 1raz s THR 87 Ca 0.00 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1raz s THR 87 Cb 0.00 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1raz s THR 87 CO 0.00 0.56 0.00 -0.31 -0.69 0.00 0.00 174.62 174.18 1raz s TYR 88 N -0.43 3.16 0.04 4.92 1.51 -0.81 -1.71 117.35 124.03 1raz s TYR 88 Ca 0.09 -1.52 -0.22 0.00 -1.01 0.00 0.00 57.07 54.40 1raz s TYR 88 Cb -0.12 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.54 1raz s TYR 88 CO 0.02 -0.72 0.67 1.03 -1.11 0.00 0.00 175.55 175.43 1raz s ARG 89 N 1.35 4.38 -0.14 -0.62 0.52 0.25 -0.94 118.95 123.75 1raz s ARG 89 Ca -0.01 0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 1raz s ARG 89 Cb -0.18 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1raz s ARG 89 CO -0.01 0.41 1.54 -1.17 0.02 0.00 0.00 175.30 176.09 1raz s LEU 90 N -0.40 4.13 -0.17 2.53 2.96 0.21 -0.76 118.68 127.19 1raz s LEU 90 Ca 0.34 1.87 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 1raz s LEU 90 Cb -0.20 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.82 1raz s LEU 90 CO 0.20 -1.01 -0.09 0.00 -1.32 0.00 0.00 176.35 174.13 1raz n ILE 91 N 5.79 1.01 -3.66 6.68 3.06 0.48 -4.49 119.36 128.23 1raz n ILE 91 Ca 0.17 -0.46 -0.07 0.00 -2.50 0.00 0.00 62.75 59.90 1raz n ILE 91 Cb 0.44 -0.98 -0.02 0.00 0.54 0.00 0.00 39.64 39.63 1raz n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1raz s GLN 92 N -2.35 1.21 0.06 9.51 1.03 -1.23 -1.60 119.66 126.29 1raz s GLN 92 Ca -0.19 -0.60 0.01 0.00 0.04 0.00 0.00 55.36 54.63 1raz s GLN 92 Cb 0.06 0.46 -0.03 0.00 0.03 0.00 0.00 33.01 33.52 1raz s GLN 92 CO 0.46 -0.55 -0.06 -0.59 -2.54 0.00 0.00 175.29 172.02 1raz s PHE 93 N -3.42 0.66 0.13 9.60 -0.12 -0.09 -1.04 117.98 123.69 1raz s PHE 93 Ca 0.09 -0.75 -0.25 0.00 -0.05 0.00 0.00 56.93 55.96 1raz s PHE 93 Cb -0.02 -0.41 0.07 0.00 -0.63 0.00 0.00 43.02 42.03 1raz s PHE 93 CO -0.02 -0.18 0.80 -3.38 -0.05 0.00 0.00 175.22 172.39 1raz s HIS 94 N -2.63 -0.32 0.32 3.49 -3.43 -0.78 -0.34 115.29 111.61 1raz s HIS 94 Ca -0.00 0.06 0.09 0.00 -0.80 0.00 0.00 55.06 54.41 1raz s HIS 94 Cb -0.01 0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 31.67 1raz s HIS 94 CO -0.04 -0.82 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.74 1raz s PHE 95 N -3.47 2.27 -0.03 0.38 0.40 -1.26 0.63 117.98 116.90 1raz s PHE 95 Ca 0.07 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1raz s PHE 95 Cb -0.02 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 1raz s PHE 95 CO -0.04 0.50 -0.15 -1.01 0.70 0.00 0.00 175.22 175.22 1raz s HIS 96 N -2.72 1.46 0.32 0.36 3.76 -0.84 -4.68 115.29 112.95 1raz s HIS 96 Ca 0.31 -0.34 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 1raz s HIS 96 Cb 0.02 -0.97 0.01 0.00 1.11 0.00 0.00 32.58 32.76 1raz s HIS 96 CO 0.15 -0.08 0.53 1.67 -0.85 0.00 0.00 174.74 176.16 1raz s TRP 97 N -0.15 0.64 0.46 1.40 -2.14 -1.19 -1.87 118.94 116.10 1raz s TRP 97 Ca 0.01 -1.00 0.03 0.00 2.66 0.00 0.00 56.10 57.80 1raz s TRP 97 Cb -0.08 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.43 1raz s TRP 97 CO 0.01 -1.16 0.02 0.20 -2.66 0.00 0.00 176.95 173.35 1raz s GLY 98 N -3.13 2.81 0.03 3.67 0.00 -1.21 -0.48 107.32 109.01 1raz s GLY 98 Ca 0.25 -1.04 0.24 0.00 0.00 0.00 0.00 44.72 44.17 1raz s GLY 98 CO 0.15 -2.12 1.76 -1.14 0.00 0.00 0.00 173.10 171.75 1raz n SER 99 N -1.17 0.09 -4.06 1.64 3.41 -1.26 -4.40 113.62 107.87 1raz n SER 99 Ca -0.13 0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 58.92 1raz n SER 99 Cb 0.67 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 1raz n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1raz s LEU 100 N -3.18 2.33 0.49 1.04 1.43 -1.26 -5.06 118.68 114.46 1raz s LEU 100 Ca 0.11 -0.95 0.25 0.00 -1.03 0.00 0.00 54.13 52.51 1raz s LEU 100 Cb 0.15 0.33 1.28 0.00 0.03 0.00 0.00 46.19 47.98 1raz s LEU 100 CO 0.45 -0.62 2.01 0.44 0.23 0.00 0.00 176.35 178.86 1raz h ASP 101 N 3.09 0.00 -0.79 2.29 3.32 -1.93 -2.90 116.42 119.49 1raz h ASP 101 Ca -0.34 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.39 1raz h ASP 101 Cb 1.15 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 1raz h ASP 101 CO 0.64 0.16 0.40 0.61 -1.72 0.00 0.00 179.24 179.34 1raz n GLY 102 N -0.57 3.82 3.57 2.75 0.00 -1.26 -3.56 105.19 109.94 1raz n GLY 102 Ca -0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1raz n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1raz s GLN 103 N -2.89 0.78 0.00 1.61 -2.07 -1.10 -4.75 119.66 111.25 1raz s GLN 103 Ca 0.51 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 54.39 1raz s GLN 103 Cb 0.42 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.71 1raz s GLN 103 CO 0.12 -0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 1raz n GLY 104 N 1.18 3.27 3.76 2.60 0.00 -1.08 -3.58 105.19 111.35 1raz n GLY 104 Ca -0.14 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1raz n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1raz s SER 105 N 0.00 4.58 -0.27 1.61 1.04 0.13 -3.18 113.70 117.60 1raz s SER 105 Ca 0.00 1.93 -0.14 0.00 0.48 0.00 0.00 55.95 58.22 1raz s SER 105 Cb 0.00 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.47 1raz s SER 105 CO 0.00 -1.99 -0.36 -0.62 0.98 0.00 0.00 173.24 171.25 1raz n GLU 106 N -3.16 0.59 -1.48 4.02 1.02 -1.26 -4.85 120.64 115.51 1raz n GLU 106 Ca 0.10 0.26 -0.31 0.00 -0.02 0.00 0.00 57.16 57.19 1raz n GLU 106 Cb 0.52 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1raz n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1raz s HIS 107 N -2.53 2.94 0.04 -0.32 3.76 -1.26 -4.48 115.29 113.44 1raz s HIS 107 Ca -0.38 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 55.94 1raz s HIS 107 Cb 0.14 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 1raz s HIS 107 CO 0.49 -1.44 -0.02 0.95 -0.85 0.00 0.00 174.74 173.86 1raz s THR 108 N -3.01 0.18 -0.23 1.30 -4.23 -1.23 -4.67 115.64 103.75 1raz s THR 108 Ca 0.59 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1raz s THR 108 Cb -0.15 -1.09 0.06 0.00 1.34 0.00 0.00 72.50 72.66 1raz s THR 108 CO 0.55 -0.82 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.07 1raz s VAL 109 N -3.08 1.55 -1.53 2.29 1.01 -0.61 -0.24 120.40 119.78 1raz s VAL 109 Ca -0.01 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 1raz s VAL 109 Cb 0.02 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.68 1raz s VAL 109 CO -0.07 -0.08 0.97 0.47 0.00 0.00 0.00 175.10 176.39 1raz n ASP 110 N 4.67 -4.60 0.00 3.32 8.00 0.93 -0.58 116.55 128.29 1raz n ASP 110 Ca -0.12 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1raz n ASP 110 Cb 0.44 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1raz n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1raz n LYS 111 N -4.67 -0.61 -2.96 -1.24 4.76 -1.26 -5.01 118.16 107.17 1raz n LYS 111 Ca 0.03 0.15 -0.40 0.00 -2.87 0.00 0.00 58.31 55.22 1raz n LYS 111 Cb 0.53 -3.83 -0.05 0.00 -1.84 0.00 0.00 35.03 29.84 1raz n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1raz s LYS 112 N -0.83 4.53 0.01 1.97 2.20 0.25 -5.02 119.74 122.85 1raz s LYS 112 Ca 0.00 1.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.74 1raz s LYS 112 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1raz s LYS 112 CO 0.00 0.34 -0.01 0.15 -0.36 0.00 0.00 175.35 175.47 1raz s LYS 113 N -0.27 2.73 0.32 4.03 1.02 -1.26 -1.58 119.74 124.73 1raz s LYS 113 Ca 0.39 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.80 1raz s LYS 113 Cb -0.21 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1raz s LYS 113 CO 0.24 0.61 0.23 0.71 -0.92 0.00 0.00 175.35 176.22 1raz s TYR 114 N -1.09 2.88 0.28 3.18 1.51 -1.26 -4.60 117.35 118.24 1raz s TYR 114 Ca 0.20 -0.29 0.22 0.00 -1.01 0.00 0.00 57.07 56.19 1raz s TYR 114 Cb -0.11 -1.67 1.02 0.00 -0.11 0.00 0.00 41.96 41.08 1raz s TYR 114 CO 0.11 0.29 1.89 0.00 -1.11 0.00 0.00 175.55 176.73 1raz h ALA 115 N 1.38 1.16 -2.99 3.71 0.00 -1.33 0.39 119.26 121.58 1raz h ALA 115 Ca -0.45 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.26 1raz h ALA 115 Cb 1.25 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1raz h ALA 115 CO 0.60 0.31 0.21 0.00 0.00 0.00 0.00 179.25 180.37 1raz s ALA 116 N -3.91 -1.36 -0.15 0.00 0.00 -1.11 -3.30 121.76 111.93 1raz s ALA 116 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1raz s ALA 116 Cb 0.12 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.17 1raz s ALA 116 CO 0.64 -0.91 0.10 -2.00 0.00 0.00 0.00 175.76 173.60 1raz s GLU 117 N -3.84 0.05 0.10 0.00 2.12 -0.78 -0.30 118.70 116.04 1raz s GLU 117 Ca 0.07 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 1raz s GLU 117 Cb -0.04 -1.51 -0.06 0.00 0.26 0.00 0.00 34.13 32.79 1raz s GLU 117 CO -0.02 -0.60 1.07 -1.17 -0.54 0.00 0.00 175.26 174.00 1raz s LEU 118 N 2.17 4.44 -0.13 2.70 2.96 -0.02 -1.99 118.68 128.81 1raz s LEU 118 Ca 0.03 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1raz s LEU 118 Cb -0.15 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1raz s LEU 118 CO -0.08 -0.26 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.52 1raz s HIS 119 N 0.41 2.24 -0.30 5.38 3.76 0.20 -1.51 115.29 125.47 1raz s HIS 119 Ca 0.52 -1.14 -0.10 0.00 -0.15 0.00 0.00 55.06 54.19 1raz s HIS 119 Cb -0.26 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1raz s HIS 119 CO 0.31 -0.57 0.17 -0.51 -0.85 0.00 0.00 174.74 173.29 1raz s LEU 120 N 1.07 4.10 -0.18 0.89 1.02 -0.96 -1.87 118.68 122.75 1raz s LEU 120 Ca -0.04 -0.36 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 1raz s LEU 120 Cb -0.14 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 1raz s LEU 120 CO -0.04 -0.16 0.08 -0.69 0.02 0.00 0.00 176.35 175.56 1raz s VAL 121 N 1.67 4.94 0.01 -1.59 1.01 -0.21 -0.96 120.40 125.26 1raz s VAL 121 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1raz s VAL 121 Cb -0.17 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1raz s VAL 121 CO 0.08 0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 174.55 1raz s HIS 122 N 0.27 0.86 0.16 5.22 3.76 -0.68 -0.39 115.29 124.49 1raz s HIS 122 Ca 0.05 -0.22 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1raz s HIS 122 Cb -0.12 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1raz s HIS 122 CO -0.00 -0.01 0.02 1.67 -0.85 0.00 0.00 174.74 175.57 1raz s TRP 123 N -0.45 2.91 -0.34 1.40 1.48 0.06 -1.59 118.94 122.41 1raz s TRP 123 Ca 0.02 -0.10 -0.29 0.00 -1.06 0.00 0.00 56.10 54.67 1raz s TRP 123 Cb -0.05 -1.43 0.01 0.00 -1.16 0.00 0.00 33.47 30.85 1raz s TRP 123 CO 0.00 0.51 1.15 1.21 -4.06 0.00 0.00 176.95 175.77 1raz s ASN 124 N -2.86 6.80 0.57 -2.66 3.84 -0.06 0.86 114.94 121.43 1raz s ASN 124 Ca 0.28 0.99 0.26 0.00 0.21 0.00 0.00 52.86 54.60 1raz s ASN 124 Cb -0.10 -2.54 1.56 0.00 -0.55 0.00 0.00 41.25 39.62 1raz s ASN 124 CO 0.19 -1.01 2.11 0.71 -2.79 0.00 0.00 177.10 176.31 1raz h THR 125 N 5.89 0.62 -0.05 -5.21 1.35 -1.67 -1.47 112.91 112.37 1raz h THR 125 Ca -0.23 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1raz h THR 125 Cb 1.07 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1raz h THR 125 CO 1.05 0.00 0.14 0.07 -0.25 0.00 0.00 175.52 176.53 1raz h LYS 127 N 0.00 0.00 -0.28 4.72 2.10 -1.92 -1.17 116.57 120.02 1raz h LYS 127 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1raz h LYS 127 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1raz h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1raz n TYR 128 N -3.28 0.36 0.00 0.07 4.01 -0.55 -4.96 117.16 112.80 1raz n TYR 128 Ca -0.02 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1raz n TYR 128 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1raz n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1raz n GLY 129 N 1.29 0.98 3.49 2.72 0.00 -0.44 -4.64 105.19 108.59 1raz n GLY 129 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1raz n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1raz s ASP 130 N 0.00 -0.18 0.17 1.61 1.47 -1.26 -5.06 116.67 113.42 1raz s ASP 130 Ca 0.00 -0.61 -0.15 0.00 1.18 0.00 0.00 52.55 52.98 1raz s ASP 130 Cb 0.00 0.55 0.06 0.00 -0.34 0.00 0.00 42.92 43.19 1raz s ASP 130 CO 0.00 -1.03 1.82 0.15 0.68 0.00 0.00 175.17 176.79 1raz h PHE 131 N 2.28 0.59 0.00 2.11 3.57 -1.93 -0.94 116.94 122.61 1raz h PHE 131 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1raz h PHE 131 Cb 1.25 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1raz h PHE 131 CO 0.37 0.36 0.00 0.78 -2.23 0.00 0.00 178.31 177.59 1raz h GLY 132 N 0.63 0.00 0.75 2.40 0.00 -1.97 -1.00 103.07 103.88 1raz h GLY 132 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.19 1raz h GLY 132 CO -0.06 0.00 -1.67 0.50 0.00 0.00 0.00 176.54 175.31 1raz h LYS 133 N 0.00 0.33 -0.36 4.80 1.79 -1.72 -3.36 116.57 118.05 1raz h LYS 133 Ca 0.00 -0.56 0.03 0.00 -2.18 0.00 0.00 60.65 57.95 1raz h LYS 133 Cb 0.23 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1raz h LYS 133 CO 0.00 1.27 0.16 0.00 -1.08 0.00 0.00 179.45 179.80 1raz h ALA 134 N 0.05 0.44 -0.56 3.86 0.00 0.03 -2.53 119.26 120.55 1raz h ALA 134 Ca -0.34 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.75 1raz h ALA 134 Cb 1.97 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1raz h ALA 134 CO 0.12 -0.22 0.60 -0.39 0.00 0.00 0.00 179.25 179.36 1raz h VAL 135 N 0.34 0.31 -0.35 0.00 -1.51 -1.39 -2.05 116.25 111.60 1raz h VAL 135 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1raz h VAL 135 Cb 0.09 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1raz h VAL 135 CO -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.21 1raz n GLN 136 N -3.67 3.12 -4.24 5.19 1.13 -0.95 -4.57 117.38 113.40 1raz n GLN 136 Ca 0.11 -1.80 -0.17 0.00 -1.94 0.00 0.00 57.00 53.20 1raz n GLN 136 Cb 0.81 -1.87 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 1raz n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1raz s GLN 137 N -1.95 0.71 0.47 -1.09 -1.52 -0.77 -5.04 119.66 110.47 1raz s GLN 137 Ca 0.31 -0.63 0.14 0.00 -1.95 0.00 0.00 55.36 53.24 1raz s GLN 137 Cb 0.23 -0.65 1.10 0.00 -0.22 0.00 0.00 33.01 33.48 1raz s GLN 137 CO 0.11 0.16 2.06 -1.00 -0.25 0.00 0.00 175.29 176.36 1raz h PRO 138 N 5.07 0.26 -0.14 2.91 0.13 -1.87 -1.94 132.00 136.42 1raz h PRO 138 Ca -0.35 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1raz h PRO 138 Cb 1.19 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1raz h PRO 138 CO 0.44 0.17 -0.29 -0.40 -0.23 0.00 0.00 178.00 177.70 1raz n ASP 139 N -4.48 2.12 0.29 1.44 5.75 -1.26 -4.27 116.55 116.13 1raz n ASP 139 Ca 0.04 -3.76 -0.17 0.00 -0.01 0.00 0.00 54.79 50.89 1raz n ASP 139 Cb 0.21 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.66 1raz n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1raz h GLY 140 N 0.94 -0.94 -2.05 6.12 0.00 -1.17 -3.44 103.07 102.53 1raz h GLY 140 Ca 0.08 0.42 -0.61 0.00 0.00 0.00 0.00 47.33 47.22 1raz h GLY 140 CO 0.15 -0.33 -0.68 1.08 0.00 0.00 0.00 176.54 176.75 1raz s LEU 141 N -10.14 2.77 -0.12 3.11 1.43 0.39 -0.88 118.68 115.24 1raz s LEU 141 Ca -0.17 -1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1raz s LEU 141 Cb 0.05 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1raz s LEU 141 CO 0.62 -0.15 -0.09 0.00 0.23 0.00 0.00 176.35 176.96 1raz s ALA 142 N -2.56 1.47 -0.24 4.21 0.00 -0.62 -1.31 121.76 122.71 1raz s ALA 142 Ca 0.32 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1raz s ALA 142 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1raz s ALA 142 CO 0.17 -0.41 -0.07 0.08 0.00 0.00 0.00 175.76 175.53 1raz s VAL 143 N 1.65 2.89 -0.07 0.00 1.01 -0.82 -1.69 120.40 123.36 1raz s VAL 143 Ca 0.05 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1raz s VAL 143 Cb -0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1raz s VAL 143 CO -0.09 0.27 0.64 -0.22 0.00 0.00 0.00 175.10 175.70 1raz s LEU 144 N 1.35 4.32 -0.05 3.92 2.96 -0.14 -1.67 118.68 129.37 1raz s LEU 144 Ca 0.02 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1raz s LEU 144 Cb -0.16 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1raz s LEU 144 CO -0.05 -0.06 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.99 1raz s GLY 145 N 0.64 1.65 -0.04 7.98 0.00 0.20 -2.27 107.32 115.49 1raz s GLY 145 Ca 0.34 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1raz s GLY 145 CO 0.16 -0.72 -0.05 -0.42 0.00 0.00 0.00 173.10 172.07 1raz s ILE 146 N -0.81 0.56 0.50 0.90 1.01 -0.57 -1.08 121.20 121.71 1raz s ILE 146 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 1raz s ILE 146 Cb -0.11 -0.57 -0.08 0.00 0.01 0.00 0.00 42.46 41.71 1raz s ILE 146 CO 0.02 0.22 0.96 -0.36 0.00 0.00 0.00 174.94 175.78 1raz s PHE 147 N 0.77 3.44 -0.15 3.97 0.08 -1.26 -0.84 117.98 123.98 1raz s PHE 147 Ca -0.11 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.41 1raz s PHE 147 Cb -0.13 -2.77 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1raz s PHE 147 CO 0.00 -0.32 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.09 1raz s LEU 148 N -3.96 2.19 0.01 -0.37 1.02 0.59 -1.06 118.68 117.10 1raz s LEU 148 Ca 0.59 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1raz s LEU 148 Cb -0.10 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 1raz s LEU 148 CO 0.29 0.06 -0.02 -1.59 0.02 0.00 0.00 176.35 175.11 1raz s LYS 149 N 0.95 2.68 -0.21 1.70 -2.85 -0.33 -1.54 119.74 120.13 1raz s LYS 149 Ca -0.04 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 53.97 1raz s LYS 149 Cb -0.15 -2.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 1raz s LYS 149 CO -0.04 0.61 1.00 0.08 0.10 0.00 0.00 175.35 177.10 1raz s VAL 150 N -1.09 4.72 0.00 1.79 1.01 -1.26 -0.11 120.40 125.47 1raz s VAL 150 Ca 0.20 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1raz s VAL 150 Cb -0.11 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1raz s VAL 150 CO 0.10 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1raz n GLY 151 N 3.35 2.28 3.78 4.51 0.00 0.26 -4.84 105.19 114.53 1raz n GLY 151 Ca 0.11 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 1raz n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1raz s SER 152 N 2.00 6.25 0.99 1.61 0.01 -1.26 -4.02 113.70 119.28 1raz s SER 152 Ca 0.00 2.19 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 1raz s SER 152 Cb 0.00 -2.59 0.19 0.00 0.21 0.00 0.00 66.02 63.82 1raz s SER 152 CO 0.00 -0.86 1.10 0.00 0.41 0.00 0.00 173.24 173.89 1raz s ALA 153 N -1.65 0.86 -0.28 1.44 0.00 -1.26 -2.46 121.76 118.41 1raz s ALA 153 Ca 0.64 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1raz s ALA 153 Cb -0.25 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1raz s ALA 153 CO 0.31 -3.02 0.05 0.21 0.00 0.00 0.00 175.76 173.30 1raz s LYS 154 N -4.64 0.97 0.21 0.00 2.47 -1.26 -4.76 119.74 112.74 1raz s LYS 154 Ca 0.67 -1.03 -0.15 0.00 -1.56 0.00 0.00 55.97 53.90 1raz s LYS 154 Cb -0.23 -2.27 0.24 0.00 -1.46 0.00 0.00 37.83 34.11 1raz s LYS 154 CO 0.60 -0.84 1.60 -1.35 0.16 0.00 0.00 175.35 175.52 1raz h PRO 155 N 8.03 -0.05 0.00 4.03 0.11 -1.93 -0.95 132.00 141.25 1raz h PRO 155 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1raz h PRO 155 Cb 1.04 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1raz h PRO 155 CO 0.44 -0.03 0.14 0.78 -0.21 0.00 0.00 178.00 179.12 1raz h GLY 156 N -0.05 0.00 0.00 -0.55 0.00 -1.95 -1.93 103.07 98.60 1raz h GLY 156 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1raz h GLY 156 CO -0.72 0.00 -1.42 -0.10 0.00 0.00 0.00 176.54 174.31 1raz n LEU 157 N -2.29 0.38 -0.29 3.11 7.94 -0.36 -4.63 117.00 120.85 1raz n LEU 157 Ca -0.01 -0.22 0.07 0.00 -1.11 0.00 0.00 56.01 54.73 1raz n LEU 157 Cb 0.17 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.40 1raz n LEU 157 CO 0.09 0.09 1.24 -0.61 -1.11 0.00 0.00 177.39 177.09 1raz h GLN 158 N 0.00 0.89 -0.01 1.96 5.75 -1.34 -0.05 115.11 122.31 1raz h GLN 158 Ca 0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1raz h GLN 158 Cb 0.67 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1raz h GLN 158 CO 0.00 0.59 -0.19 0.87 -2.65 0.00 0.00 178.83 177.44 1raz h LYS 159 N 0.92 0.02 -0.08 1.69 1.57 -1.82 -1.56 116.57 117.30 1raz h LYS 159 Ca 0.42 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.16 1raz h LYS 159 Cb 0.38 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1raz h LYS 159 CO -0.18 0.22 -0.09 0.28 -0.57 0.00 0.00 179.45 179.11 1raz h VAL 160 N 0.02 1.37 -0.54 0.50 2.07 -1.32 -3.23 116.25 115.12 1raz h VAL 160 Ca 0.00 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1raz h VAL 160 Cb 0.36 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1raz h VAL 160 CO 0.03 0.35 0.25 0.58 0.02 0.00 0.00 177.57 178.79 1raz h VAL 161 N -0.23 0.90 0.00 2.57 2.07 -1.13 -2.81 116.25 117.63 1raz h VAL 161 Ca 0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1raz h VAL 161 Cb 0.60 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1raz h VAL 161 CO 0.02 0.09 -0.04 0.44 0.02 0.00 0.00 177.57 178.10 1raz h ASP 162 N 0.47 0.00 0.14 0.57 3.32 -1.35 -2.89 116.42 116.69 1raz h ASP 162 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1raz h ASP 162 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1raz h ASP 162 CO -0.20 0.04 -0.84 0.55 -1.72 0.00 0.00 179.24 177.07 1raz n VAL 163 N -4.01 0.00 -0.34 -1.35 3.14 -1.06 -4.34 118.33 110.37 1raz n VAL 163 Ca -0.03 -0.01 0.17 0.00 -2.96 0.00 0.00 64.34 61.52 1raz n VAL 163 Cb 0.12 0.79 0.40 0.00 -1.06 0.00 0.00 33.84 34.09 1raz n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1raz h LEU 164 N 0.07 0.65 -1.88 6.55 3.38 -1.47 0.22 115.31 122.82 1raz h LEU 164 Ca 0.00 0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1raz h LEU 164 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1raz h LEU 164 CO 0.00 0.15 0.60 0.44 0.09 0.00 0.00 178.44 179.72 1raz h ASP 165 N 0.59 0.09 0.34 -0.43 3.32 -1.78 -1.24 116.42 117.31 1raz h ASP 165 Ca 0.61 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1raz h ASP 165 Cb 1.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1raz h ASP 165 CO -0.40 0.04 -0.23 -1.54 -1.72 0.00 0.00 179.24 175.39 1raz n SER 166 N -4.34 0.74 -2.15 6.45 3.41 0.75 -4.00 113.62 114.49 1raz n SER 166 Ca 0.18 -0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 58.02 1raz n SER 166 Cb 0.85 0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 1raz n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1raz n ILE 167 N -0.88 1.90 -0.23 -1.33 -5.35 -0.48 -4.73 119.36 108.25 1raz n ILE 167 Ca 0.12 -3.47 0.02 0.00 -0.27 0.00 0.00 62.75 59.15 1raz n ILE 167 Cb 0.32 -0.06 0.14 0.00 -1.74 0.00 0.00 39.64 38.31 1raz n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1raz h LYS 168 N 2.15 0.44 -6.17 6.28 3.64 -1.67 -3.41 116.57 117.83 1raz h LYS 168 Ca 0.12 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.93 1raz h LYS 168 Cb 1.42 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1raz h LYS 168 CO 0.45 0.29 -0.60 0.95 -2.27 0.00 0.00 179.45 178.27 1raz s THR 169 N -6.06 3.44 0.07 1.00 -4.23 -1.26 -1.26 115.64 107.34 1raz s THR 169 Ca -0.13 -1.78 -0.35 0.00 -1.18 0.00 0.00 61.69 58.25 1raz s THR 169 Cb 0.19 -2.96 -0.14 0.00 1.34 0.00 0.00 72.50 70.93 1raz s THR 169 CO 0.75 -0.31 1.61 1.17 -0.54 0.00 0.00 174.62 177.30 1raz n LYS 170 N -1.01 1.92 0.00 3.99 4.81 -0.43 -1.47 118.16 125.98 1raz n LYS 170 Ca -0.06 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1raz n LYS 170 Cb 0.60 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1raz n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1raz n GLY 171 N 3.52 2.28 3.78 3.14 0.00 -0.58 -4.41 105.19 112.92 1raz n GLY 171 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1raz n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1raz s LYS 172 N -0.88 3.65 0.12 1.61 1.02 -0.54 -4.84 119.74 119.88 1raz s LYS 172 Ca 0.00 1.60 -0.00 0.00 0.02 0.00 0.00 55.97 57.59 1raz s LYS 172 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1raz s LYS 172 CO 0.00 -0.60 0.03 -1.54 -0.92 0.00 0.00 175.35 172.31 1raz s SER 173 N -1.66 0.52 -0.12 2.83 1.04 -1.26 -0.21 113.70 114.84 1raz s SER 173 Ca 0.67 -1.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.74 1raz s SER 173 Cb -0.24 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.17 1raz s SER 173 CO 0.28 -0.67 0.50 0.00 0.98 0.00 0.00 173.24 174.33 1raz s ALA 174 N -3.95 -1.27 0.38 5.32 0.00 -0.29 -4.88 121.76 117.08 1raz s ALA 174 Ca 0.21 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 1raz s ALA 174 Cb 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 23.12 22.66 1raz s ALA 174 CO -0.00 -0.28 1.43 -0.25 0.00 0.00 0.00 175.76 176.67 1raz n ASP 175 N 1.98 3.48 -3.04 0.00 8.00 -1.26 -1.08 116.55 124.63 1raz n ASP 175 Ca -0.17 1.20 -0.17 0.00 0.71 0.00 0.00 54.79 56.37 1raz n ASP 175 Cb 0.56 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 1raz n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1raz n PHE 176 N 0.29 -1.89 -3.74 1.24 7.35 0.21 -4.64 117.46 116.28 1raz n PHE 176 Ca 0.03 -2.65 -0.21 0.00 -0.76 0.00 0.00 57.45 53.86 1raz n PHE 176 Cb 0.39 0.61 -0.01 0.00 0.35 0.00 0.00 39.48 40.81 1raz n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1raz s THR 177 N -0.06 4.93 -1.64 -2.13 -4.23 -1.25 -2.42 115.64 108.84 1raz s THR 177 Ca 0.33 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1raz s THR 177 Cb 0.13 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1raz s THR 177 CO -0.16 -0.32 0.00 0.59 -0.54 0.00 0.00 174.62 174.19 1raz n ASN 178 N -1.54 -4.90 -4.79 3.99 4.13 -1.26 -4.93 115.26 105.97 1raz n ASN 178 Ca -0.06 0.32 -0.39 0.00 1.68 0.00 0.00 54.58 56.13 1raz n ASN 178 Cb 0.57 -3.85 -0.06 0.00 -1.54 0.00 0.00 39.78 34.91 1raz n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1raz s PHE 179 N -2.63 3.81 -0.24 3.10 5.36 -1.26 -4.99 117.98 121.13 1raz s PHE 179 Ca 0.00 1.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 1raz s PHE 179 Cb 0.00 -2.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 1raz s PHE 179 CO 0.00 0.50 -0.00 0.34 -1.46 0.00 0.00 175.22 174.60 1raz s ASP 180 N -0.88 4.60 0.00 6.13 -1.08 -1.26 -4.39 116.67 119.80 1raz s ASP 180 Ca 0.32 -0.42 0.12 0.00 -0.52 0.00 0.00 52.55 52.05 1raz s ASP 180 Cb -0.20 -1.80 0.74 0.00 -1.46 0.00 0.00 42.92 40.20 1raz s ASP 180 CO 0.21 -0.05 1.41 -0.81 0.52 0.00 0.00 175.17 176.45 1raz n PRO 181 N 4.83 0.92 0.24 4.34 -0.04 -1.26 -2.60 135.00 141.42 1raz n PRO 181 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1raz n PRO 181 Cb 0.50 -1.21 0.47 0.00 -0.04 0.00 0.00 33.50 33.22 1raz n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1raz h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -2.37 114.38 113.71 1raz h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1raz h ARG 182 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1raz h ARG 182 CO 0.00 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1raz n GLY 183 N 0.30 -0.98 0.58 0.04 0.00 -1.07 -3.42 105.19 100.64 1raz n GLY 183 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1raz n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1raz n LEU 184 N -1.34 2.20 -4.78 0.99 4.77 -0.89 -4.61 117.00 113.33 1raz n LEU 184 Ca 0.08 -0.81 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 1raz n LEU 184 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1raz n LEU 184 CO 0.15 0.40 0.33 -0.76 -1.33 0.00 0.00 177.39 176.18 1raz s LEU 185 N -2.35 4.49 0.83 2.23 1.43 -1.22 -4.95 118.68 119.13 1raz s LEU 185 Ca 0.20 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 1raz s LEU 185 Cb 0.18 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.49 1raz s LEU 185 CO 0.51 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 176.21 1raz s PRO 186 N -0.70 1.83 0.18 1.29 0.04 -1.26 -4.96 135.00 131.42 1raz s PRO 186 Ca 0.32 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 1raz s PRO 186 Cb -0.20 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.60 1raz s PRO 186 CO 0.20 -1.79 1.73 1.49 0.04 0.00 0.00 177.00 178.67 1raz h GLU 187 N -1.21 0.24 -5.89 4.56 4.81 -1.93 -3.43 114.58 111.74 1raz h GLU 187 Ca -0.48 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.11 1raz h GLU 187 Cb 1.28 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1raz h GLU 187 CO 0.59 0.16 -0.30 0.45 -0.73 0.00 0.00 179.01 179.18 1raz s SER 188 N -5.33 6.67 -0.20 1.04 0.15 -1.26 -5.04 113.70 109.73 1raz s SER 188 Ca -0.13 0.80 0.16 0.00 0.70 0.00 0.00 55.95 57.47 1raz s SER 188 Cb 0.14 -2.19 0.59 0.00 -1.71 0.00 0.00 66.02 62.86 1raz s SER 188 CO 0.72 0.35 1.50 0.18 1.20 0.00 0.00 173.24 177.20 1raz n LEU 189 N 1.87 4.33 -4.77 3.45 4.77 -1.26 -4.70 117.00 120.69 1raz n LEU 189 Ca -0.16 -3.05 -0.39 0.00 -0.03 0.00 0.00 56.01 52.38 1raz n LEU 189 Cb 0.53 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1raz n LEU 189 CO 0.35 0.70 0.86 -1.81 -1.33 0.00 0.00 177.39 176.17 1raz s ASP 190 N -1.73 6.58 0.27 -1.43 1.01 -1.26 -4.78 116.67 115.33 1raz s ASP 190 Ca 0.45 2.41 -0.12 0.00 0.71 0.00 0.00 52.55 56.00 1raz s ASP 190 Cb 0.36 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1raz s ASP 190 CO 0.10 -0.64 0.51 -0.72 0.21 0.00 0.00 175.17 174.63 1raz s TYR 191 N -1.35 0.43 0.08 4.23 -0.85 -1.26 -0.07 117.35 118.56 1raz s TYR 191 Ca 0.55 -0.80 0.05 0.00 -0.52 0.00 0.00 57.07 56.35 1raz s TYR 191 Cb -0.32 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 1raz s TYR 191 CO 0.41 -1.07 -0.04 -1.58 -1.52 0.00 0.00 175.55 171.75 1raz s TRP 192 N -3.74 2.89 0.01 -3.49 0.51 -0.64 -1.24 118.94 113.25 1raz s TRP 192 Ca 0.23 -0.07 0.01 0.00 -2.12 0.00 0.00 56.10 54.15 1raz s TRP 192 Cb -0.01 -1.51 -0.01 0.00 -0.81 0.00 0.00 33.47 31.13 1raz s TRP 192 CO 0.11 0.45 -0.04 -0.08 -0.51 0.00 0.00 176.95 176.88 1raz s THR 193 N -1.24 0.25 0.09 2.01 -1.32 0.57 -1.07 115.64 114.92 1raz s THR 193 Ca 0.23 -0.41 -0.26 0.00 -1.21 0.00 0.00 61.69 60.04 1raz s THR 193 Cb -0.11 -0.27 0.08 0.00 -1.51 0.00 0.00 72.50 70.68 1raz s THR 193 CO 0.15 -0.11 0.66 -0.72 -2.21 0.00 0.00 174.62 172.39 1raz s TYR 194 N -0.52 -0.54 -0.18 9.09 1.13 -1.15 -0.46 117.35 124.71 1raz s TYR 194 Ca -0.04 0.50 -0.24 0.00 -1.41 0.00 0.00 57.07 55.89 1raz s TYR 194 Cb -0.04 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1raz s TYR 194 CO -0.00 -0.75 0.77 -1.25 -2.51 0.00 0.00 175.55 171.80 1raz s PRO 195 N -3.04 4.26 0.00 -3.49 0.05 -1.26 -0.56 135.00 130.96 1raz s PRO 195 Ca -0.01 0.88 0.00 0.00 0.05 0.00 0.00 61.00 61.92 1raz s PRO 195 Cb -0.01 -3.58 0.00 0.00 0.05 0.00 0.00 34.50 30.96 1raz s PRO 195 CO -0.07 -0.31 0.00 0.41 0.05 0.00 0.00 177.00 177.08 1raz n GLY 196 N 3.58 4.94 3.34 0.56 0.00 0.25 -4.84 105.19 113.04 1raz n GLY 196 Ca 0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1raz n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1raz s SER 197 N 1.28 0.59 0.61 1.61 1.04 -0.93 -2.53 113.70 115.36 1raz s SER 197 Ca 0.00 -1.41 -0.18 0.00 0.48 0.00 0.00 55.95 54.84 1raz s SER 197 Cb 0.00 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1raz s SER 197 CO 0.00 -1.03 1.15 -0.76 0.98 0.00 0.00 173.24 173.58 1raz s LEU 198 N -3.20 3.58 0.00 2.42 1.43 -0.19 -4.54 118.68 118.18 1raz s LEU 198 Ca 0.35 2.18 0.23 0.00 -1.03 0.00 0.00 54.13 55.86 1raz s LEU 198 Cb 0.03 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.71 1raz s LEU 198 CO 0.17 -1.52 1.11 0.35 0.23 0.00 0.00 176.35 176.69 1raz n THR 199 N -1.83 0.00 -4.42 5.49 -2.24 -1.26 -4.38 114.28 105.63 1raz n THR 199 Ca 0.12 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 1raz n THR 199 Cb 0.51 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.76 1raz n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1raz s THR 200 N -2.55 2.38 0.56 4.28 -4.23 -1.26 -4.78 115.64 110.04 1raz s THR 200 Ca 0.18 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 1raz s THR 200 Cb 0.18 -2.14 -0.07 0.00 1.34 0.00 0.00 72.50 71.80 1raz s THR 200 CO 0.61 -0.12 0.78 -2.65 -0.54 0.00 0.00 174.62 172.69 1raz n PRO 201 N 0.24 0.78 0.00 3.99 -0.02 -1.26 -1.58 135.00 137.15 1raz n PRO 201 Ca -0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1raz n PRO 201 Cb 0.56 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1raz n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1raz n PRO 202 N -0.44 0.66 -3.90 0.52 -0.04 -1.26 -4.99 135.00 125.55 1raz n PRO 202 Ca 0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1raz n PRO 202 Cb 0.46 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 1raz n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1raz n LEU 203 N -0.35 -1.63 -4.77 1.53 4.77 -0.61 -4.89 117.00 111.04 1raz n LEU 203 Ca 0.00 -0.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.82 1raz n LEU 203 Cb 0.04 -2.08 -0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1raz n LEU 203 CO 0.00 0.25 0.94 -0.76 -1.33 0.00 0.00 177.39 176.49 1raz s LEU 204 N -6.97 4.17 -1.21 2.23 1.43 -1.26 -4.46 118.68 112.60 1raz s LEU 204 Ca 0.62 2.61 -0.08 0.00 -1.03 0.00 0.00 54.13 56.26 1raz s LEU 204 Cb -0.34 -3.97 0.21 0.00 0.03 0.00 0.00 46.19 42.13 1raz s LEU 204 CO 0.76 -0.90 1.74 -0.62 0.23 0.00 0.00 176.35 177.57 1raz n GLU 205 N -0.01 3.89 0.00 1.70 1.02 -1.26 -1.03 120.64 124.95 1raz n GLU 205 Ca 0.05 -3.87 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 1raz n GLU 205 Cb 0.44 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1raz n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1raz s VAL 207 N -0.65 4.28 -0.37 0.00 1.01 -1.05 -0.46 120.40 123.16 1raz s VAL 207 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1raz s VAL 207 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1raz s VAL 207 CO 0.00 0.52 0.22 -0.89 0.00 0.00 0.00 175.10 174.95 1raz s THR 208 N -0.96 4.80 0.08 3.92 2.01 -0.43 0.88 115.64 125.94 1raz s THR 208 Ca 0.16 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1raz s THR 208 Cb -0.11 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 1raz s THR 208 CO 0.05 -0.18 0.61 0.26 -0.69 0.00 0.00 174.62 174.67 1raz s TRP 209 N 1.61 3.81 -0.26 4.92 0.52 0.28 -1.94 118.94 127.88 1raz s TRP 209 Ca 0.03 1.34 -0.01 0.00 0.02 0.00 0.00 56.10 57.48 1raz s TRP 209 Cb -0.19 -2.56 0.08 0.00 -1.15 0.00 0.00 33.47 29.65 1raz s TRP 209 CO 0.08 0.55 0.04 0.42 0.02 0.00 0.00 176.95 178.05 1raz s ILE 210 N -1.01 0.99 -0.29 2.03 1.01 -0.67 -2.96 121.20 120.30 1raz s ILE 210 Ca 0.31 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1raz s ILE 210 Cb -0.20 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1raz s ILE 210 CO 0.20 -0.38 0.07 -0.69 0.00 0.00 0.00 174.94 174.14 1raz s VAL 211 N 1.61 3.96 0.07 2.92 1.01 -0.23 0.62 120.40 130.37 1raz s VAL 211 Ca 0.03 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 1raz s VAL 211 Cb -0.18 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1raz s VAL 211 CO -0.14 0.12 1.35 -0.76 0.00 0.00 0.00 175.10 175.66 1raz s LEU 212 N 1.51 4.36 0.11 3.92 1.43 -0.24 -1.63 118.68 128.14 1raz s LEU 212 Ca 0.03 2.21 -0.32 0.00 -1.03 0.00 0.00 54.13 55.02 1raz s LEU 212 Cb -0.17 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1raz s LEU 212 CO 0.02 -0.63 1.58 0.50 0.23 0.00 0.00 176.35 178.05 1raz h LYS 213 N 7.07 -0.64 -6.44 1.70 3.64 -0.81 -3.43 116.57 117.66 1raz h LYS 213 Ca -0.41 0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.48 1raz h LYS 213 Cb 1.20 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1raz h LYS 213 CO 0.86 -0.42 0.28 -2.00 -2.27 0.00 0.00 179.45 175.90 1raz s GLU 214 N -5.88 4.61 0.74 1.90 2.12 -1.26 -4.98 118.70 115.95 1raz s GLU 214 Ca -0.16 1.30 -0.02 0.00 0.36 0.00 0.00 54.97 56.44 1raz s GLU 214 Cb 0.07 -3.38 0.13 0.00 0.26 0.00 0.00 34.13 31.21 1raz s GLU 214 CO 0.63 0.21 1.02 -1.25 -0.54 0.00 0.00 175.26 175.32 1raz s PRO 215 N 0.10 1.62 0.30 4.30 0.05 -1.26 -4.61 135.00 135.50 1raz s PRO 215 Ca 0.44 -1.01 0.11 0.00 0.05 0.00 0.00 61.00 60.59 1raz s PRO 215 Cb -0.22 -2.28 -0.06 0.00 0.05 0.00 0.00 34.50 31.99 1raz s PRO 215 CO 0.27 -1.51 -0.15 0.96 0.05 0.00 0.00 177.00 176.61 1raz s ILE 216 N -3.21 2.41 0.09 0.56 -4.36 -0.23 -4.88 121.20 111.59 1raz s ILE 216 Ca 0.67 -2.32 -0.07 0.00 -0.26 0.00 0.00 60.65 58.67 1raz s ILE 216 Cb -0.05 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 1raz s ILE 216 CO 0.45 -0.32 0.36 -0.44 0.24 0.00 0.00 174.94 175.22 1raz s SER 217 N -3.55 6.54 0.04 4.36 0.01 -1.26 -1.18 113.70 118.66 1raz s SER 217 Ca 0.31 0.65 0.03 0.00 1.31 0.00 0.00 55.95 58.25 1raz s SER 217 Cb -0.02 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1raz s SER 217 CO 0.16 0.15 -0.09 0.68 0.41 0.00 0.00 173.24 174.54 1raz s VAL 218 N -1.47 0.65 0.62 3.43 -7.23 0.85 -4.05 120.40 113.19 1raz s VAL 218 Ca 0.35 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 1raz s VAL 218 Cb -0.13 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1raz s VAL 218 CO 0.20 -0.31 1.00 -0.94 -0.31 0.00 0.00 175.10 174.74 1raz s SER 219 N -1.50 6.02 0.25 4.85 1.04 -1.18 0.89 113.70 124.06 1raz s SER 219 Ca -0.07 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.55 1raz s SER 219 Cb -0.09 -2.27 0.46 0.00 0.10 0.00 0.00 66.02 64.22 1raz s SER 219 CO 0.01 -0.95 1.74 -1.28 0.98 0.00 0.00 173.24 173.74 1raz h SER 220 N -0.31 0.34 -0.75 7.02 0.87 -1.94 -1.33 113.55 117.47 1raz h SER 220 Ca -0.45 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.24 1raz h SER 220 Cb 1.21 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 1raz h SER 220 CO 0.62 0.14 0.48 -0.33 -0.53 0.00 0.00 176.83 177.21 1raz h GLU 221 N 0.49 0.91 -0.17 2.24 3.07 -1.96 0.25 114.58 119.41 1raz h GLU 221 Ca 0.42 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1raz h GLU 221 Cb 0.60 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1raz h GLU 221 CO -0.38 0.60 0.09 1.96 -1.40 0.00 0.00 179.01 179.88 1raz h GLN 222 N 0.94 0.23 -0.81 2.33 4.20 -1.63 -2.55 115.11 117.82 1raz h GLN 222 Ca 0.29 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1raz h GLN 222 Cb -0.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1raz h GLN 222 CO -0.10 0.24 0.44 0.28 -0.67 0.00 0.00 178.83 179.01 1raz h VAL 223 N 0.17 1.24 -0.36 -0.54 2.07 -0.82 -2.48 116.25 115.53 1raz h VAL 223 Ca 0.06 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1raz h VAL 223 Cb 0.07 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 29.91 1raz h VAL 223 CO -0.01 0.27 -0.16 -0.07 0.02 0.00 0.00 177.57 177.62 1raz h LEU 224 N 1.14 -0.54 -2.31 2.57 3.38 -0.13 -0.96 115.31 118.45 1raz h LEU 224 Ca 0.29 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1raz h LEU 224 Cb 0.04 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1raz h LEU 224 CO -0.05 -0.19 0.11 0.11 0.09 0.00 0.00 178.44 178.51 1raz h LYS 225 N -0.09 0.00 -0.15 1.13 1.57 -1.15 0.22 116.57 118.10 1raz h LYS 225 Ca 0.18 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1raz h LYS 225 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1raz h LYS 225 CO -0.42 0.00 -0.44 0.74 -0.57 0.00 0.00 179.45 178.76 1raz h PHE 226 N 0.00 0.73 0.00 -1.35 -1.00 -1.21 -3.06 116.94 111.06 1raz h PHE 226 Ca 0.00 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1raz h PHE 226 Cb 0.23 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1raz h PHE 226 CO 0.00 1.05 0.00 0.54 -1.61 0.00 0.00 178.31 178.29 1raz n ARG 227 N -4.25 0.11 0.00 1.51 1.74 0.05 -2.14 116.66 113.68 1raz n ARG 227 Ca -0.07 0.60 0.12 0.00 -0.77 0.00 0.00 57.85 57.73 1raz n ARG 227 Cb 0.56 -1.86 0.26 0.00 -1.02 0.00 0.00 32.46 30.40 1raz n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1raz n LYS 228 N -2.10 0.53 -1.56 5.56 5.02 -1.13 -4.42 118.16 120.06 1raz n LYS 228 Ca -0.01 -0.34 -0.29 0.00 -2.02 0.00 0.00 58.31 55.65 1raz n LYS 228 Cb 0.04 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 33.66 1raz n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1raz s LEU 229 N -2.70 2.36 0.18 -0.35 1.43 -0.91 -4.86 118.68 113.84 1raz s LEU 229 Ca 0.18 1.16 0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1raz s LEU 229 Cb 0.18 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1raz s LEU 229 CO 0.61 -2.20 -0.24 0.20 0.23 0.00 0.00 176.35 174.95 1raz s ASN 230 N -3.97 3.41 -0.04 2.29 0.02 -0.39 0.95 114.94 117.22 1raz s ASN 230 Ca 0.62 -0.85 -0.18 0.00 -1.02 0.00 0.00 52.86 51.43 1raz s ASN 230 Cb -0.14 -0.25 -0.32 0.00 0.02 0.00 0.00 41.25 40.56 1raz s ASN 230 CO 0.54 0.13 0.85 -0.26 0.02 0.00 0.00 177.10 178.37 1raz h PHE 231 N 3.30 0.67 -4.28 2.20 0.04 -1.62 -3.36 116.94 113.89 1raz h PHE 231 Ca -0.47 -0.49 -0.51 0.00 2.80 0.00 0.00 57.97 59.30 1raz h PHE 231 Cb 1.20 -0.03 0.10 0.00 2.20 0.00 0.00 35.95 39.43 1raz h PHE 231 CO 0.68 1.46 0.35 0.54 -0.60 0.00 0.00 178.31 180.73 1raz s ASN 232 N -7.19 5.07 0.43 2.17 4.22 -1.26 -4.36 114.94 114.02 1raz s ASN 232 Ca -0.14 1.79 -0.08 0.00 -2.14 0.00 0.00 52.86 52.29 1raz s ASN 232 Cb 0.03 -2.52 -0.05 0.00 1.28 0.00 0.00 41.25 39.99 1raz s ASN 232 CO 0.86 -1.65 0.76 -0.83 -2.04 0.00 0.00 177.10 174.20 1raz s GLY 233 N -3.29 1.73 0.26 0.45 0.00 -1.26 -1.31 107.32 103.90 1raz s GLY 233 Ca 0.61 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.66 1raz s GLY 233 CO 0.50 -0.19 1.51 -2.21 0.00 0.00 0.00 173.10 172.71 1raz n GLU 234 N -1.72 2.35 -0.70 2.90 2.13 -1.26 -1.56 120.64 122.77 1raz n GLU 234 Ca 0.01 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1raz n GLU 234 Cb 0.54 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1raz n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1raz n GLY 235 N 2.29 0.71 3.66 8.31 0.00 -1.26 -5.05 105.19 113.84 1raz n GLY 235 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1raz n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1raz s GLU 236 N -0.30 2.35 0.41 1.61 2.02 -0.60 -5.08 118.70 119.11 1raz s GLU 236 Ca 0.00 -1.29 -0.27 0.00 0.02 0.00 0.00 54.97 53.44 1raz s GLU 236 Cb 0.00 -2.25 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 1raz s GLU 236 CO 0.00 0.40 1.43 -1.25 0.02 0.00 0.00 175.26 175.85 1raz s PRO 237 N -3.40 3.93 0.07 0.39 0.04 -1.26 -4.87 135.00 129.91 1raz s PRO 237 Ca 0.30 2.43 -0.31 0.00 0.04 0.00 0.00 61.00 63.46 1raz s PRO 237 Cb -0.08 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.57 1raz s PRO 237 CO 0.19 -0.62 1.52 -2.00 0.04 0.00 0.00 177.00 176.13 1raz s GLU 238 N -2.24 4.25 -0.20 4.56 2.12 -1.26 -4.76 118.70 121.16 1raz s GLU 238 Ca 0.56 2.18 -0.01 0.00 0.36 0.00 0.00 54.97 58.07 1raz s GLU 238 Cb -0.44 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.54 1raz s GLU 238 CO 0.58 -0.62 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.44 1raz s GLU 239 N 2.09 1.33 0.31 4.30 2.02 -1.26 -5.06 118.70 122.43 1raz s GLU 239 Ca 0.69 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 1raz s GLU 239 Cb -0.37 -2.29 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 1raz s GLU 239 CO 0.30 -0.55 1.19 -0.51 0.02 0.00 0.00 175.26 175.70 1raz s LEU 240 N 1.58 4.49 -0.70 1.80 1.43 -1.26 -1.78 118.68 124.24 1raz s LEU 240 Ca -0.03 2.45 -0.27 0.00 -1.03 0.00 0.00 54.13 55.25 1raz s LEU 240 Cb -0.17 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.42 1raz s LEU 240 CO -0.07 -0.33 1.27 -0.32 0.23 0.00 0.00 176.35 177.14 1raz s MET 241 N -1.63 3.25 0.08 1.70 -2.45 0.27 -4.67 119.30 115.86 1raz s MET 241 Ca 0.47 -0.11 -0.20 0.00 -1.25 0.00 0.00 55.69 54.60 1raz s MET 241 Cb -0.35 -4.15 0.05 0.00 1.25 0.00 0.00 34.83 31.63 1raz s MET 241 CO 0.46 -2.06 0.48 0.14 1.05 0.00 0.00 175.02 175.09 1raz s VAL 242 N 5.64 0.04 -1.46 10.11 -7.23 -1.26 -4.48 120.40 121.76 1raz s VAL 242 Ca 0.37 -0.34 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 1raz s VAL 242 Cb -0.08 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.87 1raz s VAL 242 CO 0.17 -0.19 0.82 0.47 -0.31 0.00 0.00 175.10 176.07 1raz n ASP 243 N 0.14 -5.55 -2.29 4.85 8.00 0.37 -4.81 116.55 117.25 1raz n ASP 243 Ca -0.18 -0.48 -0.24 0.00 0.71 0.00 0.00 54.79 54.61 1raz n ASP 243 Cb 0.62 -4.45 -0.01 0.00 -0.02 0.00 0.00 41.12 37.25 1raz n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1raz n ASN 244 N -2.68 6.58 -4.24 -2.24 6.94 -1.08 -4.90 115.26 113.63 1raz n ASN 244 Ca -0.03 -3.21 -0.26 0.00 -0.02 0.00 0.00 54.58 51.05 1raz n ASN 244 Cb 0.57 -1.15 -0.15 0.00 -2.36 0.00 0.00 39.78 36.69 1raz n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1raz s TRP 245 N -1.95 1.85 0.26 -2.53 1.48 -1.26 -4.51 118.94 112.28 1raz s TRP 245 Ca 0.50 -0.37 -0.09 0.00 -1.06 0.00 0.00 56.10 55.08 1raz s TRP 245 Cb 0.35 -1.14 -0.07 0.00 -1.16 0.00 0.00 33.47 31.45 1raz s TRP 245 CO -0.14 0.04 0.57 0.50 -4.06 0.00 0.00 176.95 173.86 1raz s ARG 246 N -0.88 3.78 0.66 3.25 3.52 -1.26 -4.96 118.95 123.04 1raz s ARG 246 Ca 0.08 0.25 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 1raz s ARG 246 Cb -0.08 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1raz s ARG 246 CO 0.01 0.26 1.05 -1.25 -0.81 0.00 0.00 175.30 174.56 1raz s PRO 247 N -3.04 3.28 0.37 5.12 0.04 -1.26 -4.75 135.00 134.76 1raz s PRO 247 Ca 0.47 0.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 1raz s PRO 247 Cb -0.11 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1raz s PRO 247 CO 0.23 -0.82 1.23 0.00 0.04 0.00 0.00 177.00 177.69 1raz n ALA 248 N -2.93 1.07 -2.59 8.56 0.00 -1.26 -4.42 120.51 118.94 1raz n ALA 248 Ca 0.07 0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.54 1raz n ALA 248 Cb 0.54 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 1raz n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1raz s GLN 249 N -1.99 2.16 0.28 0.00 -1.52 0.20 -4.92 119.66 113.87 1raz s GLN 249 Ca 0.58 -1.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.56 1raz s GLN 249 Cb -0.55 -2.26 -0.11 0.00 -0.22 0.00 0.00 33.01 29.86 1raz s GLN 249 CO 0.60 0.47 1.57 -1.25 -0.25 0.00 0.00 175.29 176.43 1raz s PRO 250 N -2.61 4.15 0.15 2.91 0.04 -1.26 -4.44 135.00 133.93 1raz s PRO 250 Ca 0.24 2.53 -0.09 0.00 0.04 0.00 0.00 61.00 63.71 1raz s PRO 250 Cb -0.10 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1raz s PRO 250 CO 0.15 -0.60 1.48 1.25 0.04 0.00 0.00 177.00 179.33 1raz h LEU 251 N 5.02 0.94 0.00 -3.56 5.85 -1.95 -3.45 115.31 118.16 1raz h LEU 251 Ca -0.47 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1raz h LEU 251 Cb 1.22 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1raz h LEU 251 CO 0.80 1.23 0.00 0.29 -0.34 0.00 0.00 178.44 180.42 1raz n LYS 252 N -4.04 0.00 -1.11 1.25 5.02 -1.26 -3.32 118.16 114.69 1raz n LYS 252 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 1raz n LYS 252 Cb 0.55 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.46 1raz n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1raz n ASN 253 N 4.50 5.71 -4.14 4.39 5.15 -1.26 -4.86 115.26 124.75 1raz n ASN 253 Ca 0.00 -2.74 -0.12 0.00 -0.60 0.00 0.00 54.58 51.12 1raz n ASN 253 Cb 0.00 -1.32 -0.11 0.00 -0.53 0.00 0.00 39.78 37.83 1raz n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1raz s ARG 254 N -0.10 0.76 -0.04 1.20 0.52 -1.21 -5.14 118.95 114.94 1raz s ARG 254 Ca 0.57 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1raz s ARG 254 Cb 0.31 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.45 1raz s ARG 254 CO -0.07 0.02 -0.24 -1.14 0.02 0.00 0.00 175.30 173.89 1raz s GLN 255 N -2.99 2.31 -0.17 3.54 0.74 -1.26 -5.03 119.66 116.80 1raz s GLN 255 Ca 0.05 -0.90 -0.10 0.00 0.05 0.00 0.00 55.36 54.46 1raz s GLN 255 Cb -0.01 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 1raz s GLN 255 CO -0.02 0.50 0.16 0.42 -0.55 0.00 0.00 175.29 175.80 1raz s ILE 256 N -0.45 5.41 -0.02 -2.34 1.01 -1.26 -4.60 121.20 118.95 1raz s ILE 256 Ca 0.05 0.26 0.07 0.00 0.00 0.00 0.00 60.65 61.03 1raz s ILE 256 Cb -0.11 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1raz s ILE 256 CO 0.01 0.49 -0.22 -0.54 0.00 0.00 0.00 174.94 174.67 1raz s LYS 257 N -0.04 2.17 0.21 2.79 1.02 0.39 -1.14 119.74 125.15 1raz s LYS 257 Ca 0.11 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.27 1raz s LYS 257 Cb -0.12 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1raz s LYS 257 CO 0.01 0.57 0.19 0.00 -0.92 0.00 0.00 175.35 175.20 1raz s ALA 258 N -0.69 3.63 -1.52 5.17 0.00 0.08 -0.32 121.76 128.12 1raz s ALA 258 Ca 0.11 -1.29 0.15 0.00 0.00 0.00 0.00 51.96 50.92 1raz s ALA 258 Cb -0.10 -1.40 0.30 0.00 0.00 0.00 0.00 23.12 21.93 1raz s ALA 258 CO 0.00 0.37 1.21 -1.13 0.00 0.00 0.00 175.76 176.21 1raz n SER 259 N -0.81 2.89 -4.14 0.00 3.41 -0.37 -1.74 113.62 112.85 1raz n SER 259 Ca -0.08 -1.86 -0.09 0.00 -0.26 0.00 0.00 58.87 56.58 1raz n SER 259 Cb 0.56 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1raz n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1raz s PHE 260 N -1.11 0.80 -1.32 7.33 -0.71 -1.26 -4.90 117.98 116.81 1raz s PHE 260 Ca 0.26 -1.16 0.11 0.00 -1.04 0.00 0.00 56.93 55.10 1raz s PHE 260 Cb 0.15 -0.48 0.08 0.00 -1.21 0.00 0.00 43.02 41.57 1raz s PHE 260 CO 0.21 -0.44 0.83 1.63 -1.34 0.00 0.00 175.22 176.11