#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1naz s VAL 1 N 0.00 5.14 0.41 1.12 0.11 -1.26 -4.83 120.40 121.10 1naz s VAL 1 Ca 0.00 0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 59.70 1naz s VAL 1 Cb 0.00 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 30.94 1naz s VAL 1 CO 0.00 0.22 0.96 -0.76 -3.33 0.00 0.00 175.10 172.18 1naz s LEU 2 N 1.43 4.01 0.69 2.54 1.02 -1.26 -5.07 118.68 122.04 1naz s LEU 2 Ca 0.23 1.74 -0.10 0.00 0.02 0.00 0.00 54.13 56.01 1naz s LEU 2 Cb -0.15 -4.44 0.02 0.00 0.02 0.00 0.00 46.19 41.64 1naz s LEU 2 CO 0.09 -0.34 1.06 -0.94 0.02 0.00 0.00 176.35 176.25 1naz s SER 3 N -2.05 5.43 0.25 2.29 1.04 -1.26 -4.91 113.70 114.49 1naz s SER 3 Ca 0.60 1.03 -0.05 0.00 0.48 0.00 0.00 55.95 58.01 1naz s SER 3 Cb -0.12 -1.85 0.28 0.00 0.10 0.00 0.00 66.02 64.43 1naz s SER 3 CO 0.16 -1.32 1.89 -0.08 0.98 0.00 0.00 173.24 174.87 1naz h GLU 4 N -0.58 1.22 -0.71 4.02 4.57 -1.99 -1.07 114.58 120.04 1naz h GLU 4 Ca -0.45 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1naz h GLU 4 Cb 1.26 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1naz h GLU 4 CO 0.63 0.87 0.46 0.78 -1.18 0.00 0.00 179.01 180.57 1naz h GLY 5 N 1.25 1.01 0.96 1.92 0.00 -1.99 0.25 103.07 106.46 1naz h GLY 5 Ca 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1naz h GLY 5 CO -0.06 0.33 0.19 0.83 0.00 0.00 0.00 176.54 177.84 1naz h GLU 6 N 0.92 0.61 -0.93 4.80 5.08 -1.79 -2.13 114.58 121.15 1naz h GLU 6 Ca 0.27 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1naz h GLU 6 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1naz h GLU 6 CO -0.08 0.53 0.61 -1.49 -1.00 0.00 0.00 179.01 177.59 1naz h TRP 7 N 0.53 1.17 -0.38 4.33 4.06 -0.66 -1.76 115.95 123.24 1naz h TRP 7 Ca 0.14 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.05 1naz h TRP 7 Cb 0.13 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 1naz h TRP 7 CO -0.01 0.74 -0.03 1.96 -3.56 0.00 0.00 178.44 177.54 1naz h GLN 8 N 1.26 0.62 -0.70 0.49 1.08 -0.64 0.27 115.11 117.48 1naz h GLN 8 Ca 0.34 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1naz h GLN 8 Cb -0.14 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1naz h GLN 8 CO -0.07 0.66 0.16 -0.07 -0.95 0.00 0.00 178.83 178.56 1naz h LEU 9 N 0.58 1.07 0.02 1.46 3.38 -0.69 -0.16 115.31 120.97 1naz h LEU 9 Ca 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1naz h LEU 9 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1naz h LEU 9 CO 0.02 1.03 -0.01 0.58 0.09 0.00 0.00 178.44 180.15 1naz h VAL 10 N 1.06 1.04 0.00 1.22 2.07 -0.79 -3.02 116.25 117.83 1naz h VAL 10 Ca 0.22 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1naz h VAL 10 Cb 0.39 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1naz h VAL 10 CO 0.00 0.04 -0.36 -0.07 0.02 0.00 0.00 177.57 177.21 1naz h LEU 11 N -0.10 0.00 -0.62 2.57 3.38 -0.77 -1.84 115.31 117.93 1naz h LEU 11 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1naz h LEU 11 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1naz h LEU 11 CO 0.00 0.36 -0.58 -0.74 0.09 0.00 0.00 178.44 177.58 1naz h HIS 12 N 0.00 0.45 0.00 1.13 2.76 -0.98 -1.27 115.15 117.23 1naz h HIS 12 Ca -0.00 -0.16 -0.15 0.00 -2.20 0.00 0.00 60.37 57.85 1naz h HIS 12 Cb 0.76 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1naz h HIS 12 CO 0.00 0.84 -0.81 -0.24 -1.30 0.00 0.00 177.93 176.42 1naz h VAL 13 N 0.27 1.03 0.00 5.26 3.04 -1.40 -3.19 116.25 121.26 1naz h VAL 13 Ca -0.00 -2.52 -0.06 0.00 -1.01 0.00 0.00 66.70 63.11 1naz h VAL 13 Cb 1.09 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1naz h VAL 13 CO 0.10 0.59 -0.27 -0.25 -1.01 0.00 0.00 177.57 176.73 1naz h TRP 14 N 0.00 0.00 -0.10 3.17 2.91 -1.05 -1.74 115.95 119.14 1naz h TRP 14 Ca -0.04 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 1naz h TRP 14 Cb 1.54 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1naz h TRP 14 CO 0.00 0.27 -0.01 0.00 -1.03 0.00 0.00 178.44 177.67 1naz h ALA 15 N 1.73 1.80 0.08 2.65 0.00 -1.22 -1.72 119.26 122.58 1naz h ALA 15 Ca -0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 1naz h ALA 15 Cb 0.49 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1naz h ALA 15 CO 0.03 0.16 -1.16 0.87 0.00 0.00 0.00 179.25 179.15 1naz h LYS 16 N 0.14 0.58 -0.81 0.00 1.79 -1.42 -3.13 116.57 113.72 1naz h LYS 16 Ca 0.03 -0.73 0.13 0.00 -2.18 0.00 0.00 60.65 57.91 1naz h LYS 16 Cb 0.12 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 30.91 1naz h LYS 16 CO 0.00 1.31 0.40 0.28 -1.08 0.00 0.00 179.45 180.37 1naz h VAL 17 N 0.28 0.75 0.00 0.50 2.07 -1.12 -1.47 116.25 117.27 1naz h VAL 17 Ca -0.16 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1naz h VAL 17 Cb 1.83 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1naz h VAL 17 CO 0.22 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1naz n GLU 18 N -4.88 0.10 0.18 1.57 1.02 -0.68 -1.73 120.64 116.22 1naz n GLU 18 Ca 0.15 0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.55 1naz n GLU 18 Cb 0.39 -1.50 0.42 0.00 -0.02 0.00 0.00 31.44 30.73 1naz n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1naz h ALA 19 N 2.50 1.54 -0.60 0.62 0.00 -1.28 -3.38 119.26 118.66 1naz h ALA 19 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1naz h ALA 19 Cb 0.15 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.73 1naz h ALA 19 CO 0.00 0.34 -0.50 -3.47 0.00 0.00 0.00 179.25 175.62 1naz n ASP 20 N -4.23 -3.18 -0.17 0.00 2.03 -0.71 -5.02 116.55 105.28 1naz n ASP 20 Ca -0.02 -3.08 -0.01 0.00 0.52 0.00 0.00 54.79 52.20 1naz n ASP 20 Cb 0.31 1.76 0.22 0.00 -0.72 0.00 0.00 41.12 42.68 1naz n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1naz h VAL 21 N 4.13 1.21 -0.34 5.18 3.04 -1.64 -2.53 116.25 125.31 1naz h VAL 21 Ca -0.03 -0.60 0.03 0.00 -1.01 0.00 0.00 66.70 65.08 1naz h VAL 21 Cb 1.07 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 1naz h VAL 21 CO 0.15 0.25 0.16 0.00 -1.01 0.00 0.00 177.57 177.12 1naz h ALA 22 N 1.43 0.41 -0.68 3.17 0.00 -1.90 -0.20 119.26 121.47 1naz h ALA 22 Ca 0.22 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1naz h ALA 22 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1naz h ALA 22 CO -0.03 -0.22 0.15 0.78 0.00 0.00 0.00 179.25 179.93 1naz h GLY 23 N 0.33 1.19 1.03 0.00 0.00 -1.87 -1.93 103.07 101.82 1naz h GLY 23 Ca 0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1naz h GLY 23 CO -0.11 0.70 0.23 0.45 0.00 0.00 0.00 176.54 177.82 1naz h HIS 24 N 1.03 1.10 -0.81 5.60 3.86 -1.15 -2.28 115.15 122.51 1naz h HIS 24 Ca 0.21 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1naz h HIS 24 Cb 0.39 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1naz h HIS 24 CO 0.03 0.87 0.41 0.78 0.86 0.00 0.00 177.93 180.88 1naz h GLY 25 N 1.01 1.23 0.96 2.45 0.00 -0.74 -0.72 103.07 107.25 1naz h GLY 25 Ca 0.23 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1naz h GLY 25 CO -0.01 0.56 0.15 1.46 0.00 0.00 0.00 176.54 178.70 1naz h GLN 26 N 1.14 0.37 -0.74 4.80 4.20 -1.18 -0.94 115.11 122.75 1naz h GLN 26 Ca 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1naz h GLN 26 Cb 0.08 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1naz h GLN 26 CO -0.04 0.32 0.42 -0.44 -0.67 0.00 0.00 178.83 178.42 1naz h ASP 27 N 0.32 0.92 -0.36 1.46 3.32 -1.07 -0.61 116.42 120.39 1naz h ASP 27 Ca 0.09 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1naz h ASP 27 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1naz h ASP 27 CO -0.02 0.74 0.03 0.40 -1.72 0.00 0.00 179.24 178.67 1naz h ILE 28 N 1.02 1.25 -0.56 0.35 2.04 -0.97 -1.02 117.51 119.62 1naz h ILE 28 Ca 0.26 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1naz h ILE 28 Cb 0.01 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1naz h ILE 28 CO -0.04 0.30 0.15 1.88 0.00 0.00 0.00 178.15 180.44 1naz h TYR 29 N 0.44 0.93 -0.58 1.37 0.05 -0.98 -0.33 116.97 117.87 1naz h TYR 29 Ca 0.11 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1naz h TYR 29 Cb 0.40 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1naz h TYR 29 CO 0.03 0.80 0.37 0.82 -1.05 0.00 0.00 178.16 179.13 1naz h ILE 30 N 0.79 1.16 -0.38 -2.88 2.04 -1.01 -0.23 117.51 116.99 1naz h ILE 30 Ca 0.18 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1naz h ILE 30 Cb 0.32 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1naz h ILE 30 CO -0.00 0.15 0.19 -0.09 0.00 0.00 0.00 178.15 178.40 1naz h ARG 31 N 0.78 0.55 -0.08 2.37 9.65 -0.95 -0.88 114.38 125.82 1naz h ARG 31 Ca 0.21 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1naz h ARG 31 Cb -0.07 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 1naz h ARG 31 CO -0.04 0.48 0.03 1.25 2.80 0.00 0.00 179.97 184.49 1naz h LEU 32 N 0.48 0.03 -1.11 3.80 5.85 -0.72 -0.42 115.31 123.23 1naz h LEU 32 Ca 0.13 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1naz h LEU 32 Cb 0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1naz h LEU 32 CO -0.02 0.03 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.43 1naz h PHE 33 N 0.07 0.00 -0.03 1.25 0.04 -0.94 0.06 116.94 117.39 1naz h PHE 33 Ca 0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 1naz h PHE 33 Cb 0.02 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.17 1naz h PHE 33 CO -0.09 0.43 -0.36 -0.22 -0.60 0.00 0.00 178.31 177.46 1naz h LYS 34 N 0.00 0.30 -0.24 1.51 3.64 -1.01 -2.88 116.57 117.88 1naz h LYS 34 Ca -0.00 -0.28 -0.19 0.00 -1.27 0.00 0.00 60.65 58.91 1naz h LYS 34 Cb 0.80 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1naz h LYS 34 CO 0.06 0.96 -0.58 0.77 -2.27 0.00 0.00 179.45 178.38 1naz h SER 35 N -0.26 0.93 -2.43 4.20 0.02 -0.97 -3.39 113.55 111.65 1naz h SER 35 Ca -0.04 -0.56 -0.59 0.00 -0.84 0.00 0.00 61.79 59.76 1naz h SER 35 Cb 1.06 -0.27 -0.39 0.00 0.14 0.00 0.00 62.40 62.93 1naz h SER 35 CO 0.07 1.32 -0.88 1.41 -1.14 0.00 0.00 176.83 177.62 1naz n HIS 36 N -4.03 0.57 -0.09 3.45 8.25 -0.00 -5.00 115.22 118.37 1naz n HIS 36 Ca -0.05 -3.67 0.24 0.00 -0.26 0.00 0.00 57.72 53.99 1naz n HIS 36 Cb 0.64 -0.14 0.71 0.00 1.12 0.00 0.00 29.99 32.32 1naz n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1naz h PRO 37 N 5.09 0.00 -0.05 -0.41 0.11 -1.69 -1.67 132.00 133.38 1naz h PRO 37 Ca 0.20 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 1naz h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1naz h PRO 37 CO 0.51 0.00 0.05 1.05 -0.21 0.00 0.00 178.00 179.40 1naz h GLU 38 N 0.00 0.00 -0.11 1.05 9.09 -1.93 -2.12 114.58 120.56 1naz h GLU 38 Ca 0.34 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.69 1naz h GLU 38 Cb 1.37 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1naz h GLU 38 CO -0.00 0.00 -0.17 1.79 0.05 0.00 0.00 179.01 180.67 1naz h THR 39 N 0.00 1.19 -0.03 -1.06 1.35 -1.64 -2.63 112.91 110.09 1naz h THR 39 Ca 0.03 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 1naz h THR 39 Cb 0.12 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1naz h THR 39 CO -0.00 0.26 -0.10 0.25 -0.25 0.00 0.00 175.52 175.68 1naz h LEU 40 N 0.17 0.04 -2.49 3.87 5.85 -1.56 -2.49 115.31 118.70 1naz h LEU 40 Ca 0.03 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1naz h LEU 40 Cb 0.42 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1naz h LEU 40 CO 0.03 0.14 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.92 1naz h GLU 41 N 0.04 0.00 0.00 1.25 5.08 -1.60 -1.92 114.58 117.43 1naz h GLU 41 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1naz h GLU 41 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1naz h GLU 41 CO 0.01 0.02 0.00 0.87 -1.00 0.00 0.00 179.01 178.91 1naz h LYS 42 N 0.00 0.00 -4.52 2.33 1.79 -1.60 -3.42 116.57 111.16 1naz h LYS 42 Ca -0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 1naz h LYS 42 Cb 0.15 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 30.59 1naz h LYS 42 CO 0.00 0.00 -0.07 -0.06 -1.08 0.00 0.00 179.45 178.25 1naz s PHE 43 N -3.22 3.12 0.29 -1.35 0.40 -0.72 -4.94 117.98 111.56 1naz s PHE 43 Ca 0.08 -0.96 -0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1naz s PHE 43 Cb 0.11 -3.71 0.49 0.00 0.51 0.00 0.00 43.02 40.41 1naz s PHE 43 CO 0.52 -1.08 1.90 -0.44 0.70 0.00 0.00 175.22 176.82 1naz h ASP 44 N 8.99 0.96 1.84 1.36 3.32 -1.85 0.37 116.42 131.41 1naz h ASP 44 Ca -0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1naz h ASP 44 Cb 1.10 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1naz h ASP 44 CO 1.02 0.61 0.00 0.03 -1.72 0.00 0.00 179.24 179.18 1naz h ARG 45 N 1.08 0.00 -0.00 3.56 3.08 -1.96 -3.37 114.38 116.78 1naz h ARG 45 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1naz h ARG 45 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1naz h ARG 45 CO -0.16 0.00 -0.00 1.19 -1.07 0.00 0.00 179.97 179.93 1naz n PHE 46 N -3.09 0.00 0.28 3.04 3.01 -0.82 -4.77 117.46 115.11 1naz n PHE 46 Ca 0.03 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.60 1naz n PHE 46 Cb 0.49 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.45 1naz n PHE 46 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1naz n LYS 47 N -0.31 0.15 0.19 -1.08 2.85 0.06 -1.52 118.16 118.50 1naz n LYS 47 Ca 0.00 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.89 1naz n LYS 47 Cb 0.01 -1.86 0.24 0.00 -0.65 0.00 0.00 35.03 32.77 1naz n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1naz h HIS 48 N 0.00 0.00 -2.54 5.58 2.07 -1.86 -3.46 115.15 114.94 1naz h HIS 48 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 1naz h HIS 48 Cb 0.19 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.22 1naz h HIS 48 CO 0.00 0.00 1.01 1.28 -3.07 0.00 0.00 177.93 177.15 1naz n LEU 49 N -2.89 3.86 -0.08 6.12 4.77 -0.58 -4.91 117.00 123.30 1naz n LEU 49 Ca 0.04 1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 57.01 1naz n LEU 49 Cb 0.50 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 39.89 1naz n LEU 49 CO 0.33 0.11 -1.07 0.29 -1.33 0.00 0.00 177.39 175.72 1naz n LYS 50 N 4.38 0.71 -4.26 3.23 5.02 -1.26 -5.03 118.16 120.96 1naz n LYS 50 Ca 0.17 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1naz n LYS 50 Cb 0.34 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1naz n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1naz s THR 51 N -2.70 0.42 0.27 -0.18 -4.23 -1.26 -5.04 115.64 102.91 1naz s THR 51 Ca -0.09 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1naz s THR 51 Cb 0.08 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.64 1naz s THR 51 CO 0.84 -0.16 1.81 -0.33 -0.54 0.00 0.00 174.62 176.23 1naz h GLU 52 N 2.56 0.87 -0.59 3.99 5.08 -1.98 -1.65 114.58 122.85 1naz h GLU 52 Ca -0.37 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1naz h GLU 52 Cb 1.23 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1naz h GLU 52 CO 0.59 0.79 0.37 0.00 -1.00 0.00 0.00 179.01 179.76 1naz h ALA 53 N 1.30 0.77 -0.56 3.43 0.00 -1.99 0.38 119.26 122.60 1naz h ALA 53 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1naz h ALA 53 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1naz h ALA 53 CO 0.00 0.11 0.02 0.93 0.00 0.00 0.00 179.25 180.30 1naz h GLU 54 N 0.73 0.94 -0.43 0.00 5.08 -1.85 -1.69 114.58 117.36 1naz h GLU 54 Ca 0.24 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1naz h GLU 54 Cb 0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1naz h GLU 54 CO -0.10 0.92 0.18 0.52 -1.00 0.00 0.00 179.01 179.53 1naz h MET 55 N 0.87 0.64 -0.31 2.33 2.86 -0.66 -2.08 114.93 118.58 1naz h MET 55 Ca 0.16 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1naz h MET 55 Cb 0.49 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1naz h MET 55 CO 0.02 0.58 -0.05 -0.22 1.06 0.00 0.00 176.91 178.31 1naz h LYS 56 N 0.55 0.50 -0.00 1.72 1.63 -0.75 -2.77 116.57 117.45 1naz h LYS 56 Ca 0.14 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1naz h LYS 56 Cb 0.18 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1naz h LYS 56 CO -0.01 0.57 -0.14 0.00 -3.45 0.00 0.00 179.45 176.41 1naz n ALA 57 N -2.48 2.73 -2.53 5.00 0.00 -0.65 -4.82 120.51 117.75 1naz n ALA 57 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1naz n ALA 57 Cb 0.27 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1naz n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1naz s SER 58 N -2.85 6.62 0.22 0.00 0.15 -0.80 -4.90 113.70 112.14 1naz s SER 58 Ca 0.18 0.72 -0.05 0.00 0.70 0.00 0.00 55.95 57.51 1naz s SER 58 Cb 0.19 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.16 1naz s SER 58 CO 0.55 -1.21 1.67 -0.08 1.20 0.00 0.00 173.24 175.37 1naz h GLU 59 N 9.36 0.85 -0.50 5.44 4.57 -1.88 -1.88 114.58 130.54 1naz h GLU 59 Ca -0.24 -0.29 -0.09 0.00 -1.18 0.00 0.00 59.36 57.56 1naz h GLU 59 Cb 1.07 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1naz h GLU 59 CO 1.09 0.92 -0.05 -0.44 -1.18 0.00 0.00 179.01 179.35 1naz h ASP 60 N 0.77 0.86 -0.41 1.04 3.32 -1.97 -1.08 116.42 118.93 1naz h ASP 60 Ca 0.13 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 1naz h ASP 60 Cb 0.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1naz h ASP 60 CO 0.04 0.95 -0.19 0.25 -1.72 0.00 0.00 179.24 178.57 1naz h LEU 61 N 0.80 0.92 -0.31 1.55 5.85 -1.84 -1.21 115.31 121.07 1naz h LEU 61 Ca 0.14 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1naz h LEU 61 Cb 0.54 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1naz h LEU 61 CO 0.03 1.08 0.15 0.50 -0.34 0.00 0.00 178.44 179.86 1naz h LYS 62 N 0.79 0.31 -0.91 1.25 3.64 -1.04 0.21 116.57 120.82 1naz h LYS 62 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1naz h LYS 62 Cb 0.73 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1naz h LYS 62 CO 0.06 0.20 0.54 0.87 -2.27 0.00 0.00 179.45 178.85 1naz h LYS 63 N 0.31 1.25 -0.51 1.90 1.57 -0.98 -1.91 116.57 118.21 1naz h LYS 63 Ca 0.13 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1naz h LYS 63 Cb 0.05 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1naz h LYS 63 CO -0.09 0.88 -0.03 0.37 -0.57 0.00 0.00 179.45 180.01 1naz h GLN 64 N 1.26 0.88 -0.85 3.15 -0.00 -0.61 -1.98 115.11 116.95 1naz h GLN 64 Ca 0.33 -0.26 0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1naz h GLN 64 Cb -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.32 1naz h GLN 64 CO -0.06 0.89 0.56 0.78 0.00 0.00 0.00 178.83 181.01 1naz h GLY 65 N 0.99 1.21 1.04 2.39 0.00 -0.47 -0.90 103.07 107.33 1naz h GLY 65 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1naz h GLY 65 CO 0.03 0.42 0.36 -2.08 0.00 0.00 0.00 176.54 175.27 1naz h VAL 66 N 1.14 1.26 -0.35 4.60 2.07 -1.05 -1.32 116.25 122.60 1naz h VAL 66 Ca 0.32 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1naz h VAL 66 Cb -0.11 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1naz h VAL 66 CO -0.08 0.32 0.22 0.03 0.02 0.00 0.00 177.57 178.08 1naz h ARG 67 N 1.17 0.47 0.20 1.57 2.47 -0.76 -0.62 114.38 118.89 1naz h ARG 67 Ca 0.28 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1naz h ARG 67 Cb 0.16 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1naz h ARG 67 CO -0.03 0.35 -0.10 0.28 0.56 0.00 0.00 179.97 181.03 1naz h VAL 68 N 0.46 0.81 -0.05 2.04 2.07 -0.96 -1.13 116.25 119.49 1naz h VAL 68 Ca 0.13 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 1naz h VAL 68 Cb -0.01 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1naz h VAL 68 CO -0.02 0.01 -0.49 -0.07 0.02 0.00 0.00 177.57 177.01 1naz h LEU 69 N -0.30 0.13 -0.29 2.57 3.38 -1.19 -0.25 115.31 119.36 1naz h LEU 69 Ca -0.03 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 1naz h LEU 69 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1naz h LEU 69 CO 0.05 0.60 -0.52 0.74 0.09 0.00 0.00 178.44 179.40 1naz h THR 70 N 0.10 1.28 -0.45 0.22 2.02 -1.02 0.13 112.91 115.18 1naz h THR 70 Ca 0.00 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.45 1naz h THR 70 Cb 0.91 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1naz h THR 70 CO 0.07 0.56 0.16 0.00 0.37 0.00 0.00 175.52 176.68 1naz h ALA 71 N 0.68 0.58 -0.60 6.16 0.00 -0.99 -1.29 119.26 123.80 1naz h ALA 71 Ca 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1naz h ALA 71 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1naz h ALA 71 CO 0.12 0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.81 1naz h LEU 72 N 0.58 1.05 -0.92 0.00 5.85 -0.98 -2.21 115.31 118.67 1naz h LEU 72 Ca 0.15 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1naz h LEU 72 Cb 0.23 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1naz h LEU 72 CO -0.01 1.11 0.61 1.23 -0.34 0.00 0.00 178.44 181.04 1naz h GLY 73 N 0.96 1.31 1.12 3.75 0.00 -0.53 0.84 103.07 110.53 1naz h GLY 73 Ca 0.17 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1naz h GLY 73 CO 0.03 0.45 0.14 0.00 0.00 0.00 0.00 176.54 177.17 1naz h ALA 74 N 1.35 0.98 -0.14 3.60 0.00 -0.99 -0.66 119.26 123.40 1naz h ALA 74 Ca 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1naz h ALA 74 Cb -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1naz h ALA 74 CO -0.09 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.70 1naz h ILE 75 N 1.02 1.13 -0.87 0.00 2.04 -0.74 -2.90 117.51 117.19 1naz h ILE 75 Ca 0.21 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1naz h ILE 75 Cb 0.39 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1naz h ILE 75 CO 0.01 0.12 0.53 -0.07 0.00 0.00 0.00 178.15 178.73 1naz h LEU 76 N 0.08 1.04 -1.69 1.44 3.38 -0.57 -1.85 115.31 117.14 1naz h LEU 76 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1naz h LEU 76 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1naz h LEU 76 CO -0.01 0.80 0.00 0.11 0.09 0.00 0.00 178.44 179.43 1naz h LYS 77 N 1.20 0.00 0.00 1.13 1.57 -1.02 -0.40 116.57 119.05 1naz h LYS 77 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1naz h LYS 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1naz h LYS 77 CO -0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.45 1naz n LYS 78 N -2.82 0.01 -3.90 3.15 4.76 -0.70 -4.94 118.16 113.73 1naz n LYS 78 Ca -0.00 0.08 -0.31 0.00 -2.87 0.00 0.00 58.31 55.21 1naz n LYS 78 Cb 0.20 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1naz n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1naz n LYS 79 N -1.54 -2.05 0.00 1.97 5.02 -0.16 -1.66 118.16 119.74 1naz n LYS 79 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1naz n LYS 79 Cb 0.30 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 1naz n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1naz n GLY 80 N -1.94 2.94 2.55 0.72 0.00 -1.26 -4.94 105.19 103.25 1naz n GLY 80 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1naz n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1naz n HIS 81 N -2.00 2.40 -1.19 1.61 8.25 -0.66 -4.64 115.22 118.99 1naz n HIS 81 Ca 0.00 -2.50 -0.03 0.00 -0.26 0.00 0.00 57.72 54.93 1naz n HIS 81 Cb 0.00 -1.54 0.24 0.00 1.12 0.00 0.00 29.99 29.81 1naz n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1naz n HIS 82 N 0.98 1.62 -0.15 4.41 1.44 -1.26 -4.71 115.22 117.54 1naz n HIS 82 Ca 0.55 -1.31 -0.04 0.00 -2.01 0.00 0.00 57.72 54.92 1naz n HIS 82 Cb 0.33 -0.54 0.05 0.00 0.12 0.00 0.00 29.99 29.95 1naz n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1naz h GLU 83 N 1.69 0.33 -0.62 -1.40 3.07 -2.00 -1.20 114.58 114.46 1naz h GLU 83 Ca 0.21 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 1naz h GLU 83 Cb 1.90 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.71 1naz h GLU 83 CO 0.51 0.22 0.14 0.00 -1.40 0.00 0.00 179.01 178.48 1naz h ALA 84 N 1.31 0.81 -0.18 3.43 0.00 -2.01 -3.02 119.26 119.61 1naz h ALA 84 Ca 0.22 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1naz h ALA 84 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1naz h ALA 84 CO -0.22 0.53 -0.36 0.93 0.00 0.00 0.00 179.25 180.13 1naz h GLU 85 N 0.90 0.37 0.00 0.00 3.07 -1.79 -3.04 114.58 114.09 1naz h GLU 85 Ca 0.19 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1naz h GLU 85 Cb 0.37 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1naz h GLU 85 CO 0.00 0.68 -0.20 -0.07 -1.40 0.00 0.00 179.01 178.03 1naz h LEU 86 N 0.32 0.00 0.64 1.33 3.38 -1.11 -3.33 115.31 116.53 1naz h LEU 86 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1naz h LEU 86 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1naz h LEU 86 CO 0.06 0.20 -0.44 0.11 0.09 0.00 0.00 178.44 178.46 1naz h LYS 87 N 0.00 -0.99 -0.44 1.13 1.57 -1.43 0.13 116.57 116.53 1naz h LYS 87 Ca -0.00 0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1naz h LYS 87 Cb 0.87 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1naz h LYS 87 CO 0.03 -0.66 -0.09 -1.00 -0.57 0.00 0.00 179.45 177.16 1naz h PRO 88 N -1.03 0.78 -0.15 3.15 0.13 -1.75 -1.64 132.00 131.49 1naz h PRO 88 Ca -0.08 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1naz h PRO 88 Cb 0.85 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1naz h PRO 88 CO 0.05 0.85 0.01 1.25 -0.23 0.00 0.00 178.00 179.93 1naz h LEU 89 N 0.71 0.25 -0.65 1.56 5.85 -1.64 -1.46 115.31 119.92 1naz h LEU 89 Ca 0.12 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1naz h LEU 89 Cb 0.56 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1naz h LEU 89 CO 0.03 0.47 0.32 0.00 -0.34 0.00 0.00 178.44 178.92 1naz h ALA 90 N 0.78 0.84 -0.18 1.25 0.00 -0.68 -0.92 119.26 120.36 1naz h ALA 90 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1naz h ALA 90 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1naz h ALA 90 CO 0.01 0.41 0.08 0.37 0.00 0.00 0.00 179.25 180.11 1naz h GLN 91 N 0.90 0.26 -0.45 0.00 4.15 -1.16 0.79 115.11 119.61 1naz h GLN 91 Ca 0.22 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 1naz h GLN 91 Cb 0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1naz h GLN 91 CO -0.03 0.31 -0.09 0.66 -1.93 0.00 0.00 178.83 177.75 1naz h SER 92 N 0.16 0.86 0.63 -0.69 4.64 -1.17 -1.12 113.55 116.86 1naz h SER 92 Ca 0.06 -0.35 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 1naz h SER 92 Cb 0.13 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1naz h SER 92 CO -0.01 1.01 -0.60 0.45 -0.87 0.00 0.00 176.83 176.82 1naz h HIS 93 N 0.69 0.00 0.14 4.77 3.86 -1.08 -0.24 115.15 123.30 1naz h HIS 93 Ca 0.12 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.12 1naz h HIS 93 Cb 0.62 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.11 1naz h HIS 93 CO 0.05 0.60 -0.92 0.00 0.86 0.00 0.00 177.93 178.52 1naz h ALA 94 N 1.40 -0.06 0.05 2.45 0.00 -0.81 0.26 119.26 122.56 1naz h ALA 94 Ca -0.01 -0.76 -0.33 0.00 0.00 0.00 0.00 54.91 53.81 1naz h ALA 94 Cb 1.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1naz h ALA 94 CO 0.08 0.45 -1.87 2.41 0.00 0.00 0.00 179.25 180.32 1naz n THR 95 N -4.09 1.62 -0.08 0.00 -1.04 -0.43 -3.83 114.28 106.44 1naz n THR 95 Ca -0.15 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.05 61.38 1naz n THR 95 Cb 0.84 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.47 1naz n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1naz h LYS 96 N -0.48 0.00 0.09 -2.82 3.64 -1.34 -3.41 116.57 112.25 1naz h LYS 96 Ca -0.46 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.67 1naz h LYS 96 Cb 1.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 1naz h LYS 96 CO -0.12 0.41 -1.19 0.45 -2.27 0.00 0.00 179.45 176.73 1naz h HIS 97 N -1.00 0.33 -4.82 1.91 3.86 -1.24 -3.49 115.15 110.70 1naz h HIS 97 Ca -0.11 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 58.73 1naz h HIS 97 Cb 0.72 -0.01 0.10 0.00 1.06 0.00 0.00 27.41 29.28 1naz h HIS 97 CO -0.03 1.20 -0.45 1.63 0.86 0.00 0.00 177.93 181.13 1naz n LYS 98 N -3.46 -1.48 -3.58 2.45 5.02 0.72 -4.98 118.16 112.85 1naz n LYS 98 Ca -0.06 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.65 1naz n LYS 98 Cb 1.00 -4.74 -0.11 0.00 -0.02 0.00 0.00 35.03 31.16 1naz n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1naz s ILE 99 N -3.20 4.57 0.84 -0.18 -1.09 -0.04 -5.02 121.20 117.08 1naz s ILE 99 Ca 0.24 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 57.54 1naz s ILE 99 Cb -0.03 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.33 1naz s ILE 99 CO 0.56 -0.33 1.16 -2.84 -1.23 0.00 0.00 174.94 172.26 1naz s PRO 100 N 1.53 1.47 0.35 2.79 0.02 -1.26 -4.82 135.00 135.09 1naz s PRO 100 Ca 0.02 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.68 1naz s PRO 100 Cb -0.21 -1.77 0.68 0.00 0.02 0.00 0.00 34.50 33.22 1naz s PRO 100 CO 0.06 -2.30 1.97 0.82 -0.33 0.00 0.00 177.00 177.21 1naz h ILE 101 N -1.31 1.07 -0.27 2.83 1.08 -1.11 -0.16 117.51 119.64 1naz h ILE 101 Ca -0.45 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1naz h ILE 101 Cb 1.28 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1naz h ILE 101 CO 0.45 0.15 0.17 0.11 -0.69 0.00 0.00 178.15 178.34 1naz h LYS 102 N 0.82 0.36 0.00 2.37 1.57 -1.91 0.27 116.57 120.05 1naz h LYS 102 Ca 0.30 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1naz h LYS 102 Cb 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1naz h LYS 102 CO -0.09 0.24 -0.84 1.88 -0.57 0.00 0.00 179.45 180.07 1naz h TYR 103 N 0.37 0.09 -0.18 -1.35 -1.99 -1.38 -1.42 116.97 111.11 1naz h TYR 103 Ca 0.10 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.68 1naz h TYR 103 Cb -0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1naz h TYR 103 CO 0.00 0.86 -0.32 -0.07 -0.00 0.00 0.00 178.16 178.64 1naz h LEU 104 N 0.03 0.36 -0.44 3.88 3.38 -0.81 -1.22 115.31 120.49 1naz h LEU 104 Ca -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1naz h LEU 104 Cb 1.46 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1naz h LEU 104 CO 0.11 0.66 0.12 -0.33 0.09 0.00 0.00 178.44 179.10 1naz h GLU 105 N 0.31 0.69 -0.57 1.13 5.08 -0.77 -1.54 114.58 118.91 1naz h GLU 105 Ca 0.04 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1naz h GLU 105 Cb 0.71 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1naz h GLU 105 CO 0.05 0.68 0.37 0.74 -1.00 0.00 0.00 179.01 179.86 1naz h PHE 106 N 0.57 0.73 -0.05 4.33 0.04 -0.77 -0.62 116.94 121.17 1naz h PHE 106 Ca 0.14 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.81 1naz h PHE 106 Cb 0.29 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1naz h PHE 106 CO 0.02 0.47 -0.49 0.97 -0.60 0.00 0.00 178.31 178.67 1naz h ILE 107 N 0.77 1.35 -0.61 -0.55 2.10 -1.14 -1.71 117.51 117.71 1naz h ILE 107 Ca 0.21 -1.71 -0.01 0.00 1.08 0.00 0.00 64.86 64.42 1naz h ILE 107 Cb -0.07 1.86 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 1naz h ILE 107 CO -0.04 0.50 0.33 0.28 -1.08 0.00 0.00 178.15 178.13 1naz h SER 108 N 0.11 0.77 -0.84 2.19 0.02 -0.75 -0.18 113.55 114.87 1naz h SER 108 Ca 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1naz h SER 108 Cb 0.91 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1naz h SER 108 CO 0.07 0.65 0.49 -0.33 -1.14 0.00 0.00 176.83 176.57 1naz h GLU 109 N 0.83 1.15 -0.54 3.45 5.08 -0.76 -1.35 114.58 122.44 1naz h GLU 109 Ca 0.21 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1naz h GLU 109 Cb 0.06 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1naz h GLU 109 CO -0.03 0.82 -0.01 0.00 -1.00 0.00 0.00 179.01 178.78 1naz h ALA 110 N 1.26 0.73 -0.07 3.43 0.00 -0.80 -0.35 119.26 123.45 1naz h ALA 110 Ca 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1naz h ALA 110 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1naz h ALA 110 CO -0.05 0.56 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 1naz h ILE 111 N 0.84 0.94 -0.72 0.00 2.04 -0.77 -1.48 117.51 118.36 1naz h ILE 111 Ca 0.15 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1naz h ILE 111 Cb 0.55 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1naz h ILE 111 CO 0.03 0.00 0.47 0.40 0.00 0.00 0.00 178.15 179.06 1naz h ILE 112 N 0.02 1.19 -0.39 -0.67 2.04 -1.09 -0.87 117.51 117.74 1naz h ILE 112 Ca 0.03 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1naz h ILE 112 Cb 0.04 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1naz h ILE 112 CO -0.06 0.18 0.23 -0.74 0.00 0.00 0.00 178.15 177.76 1naz h HIS 113 N 0.98 0.52 -0.41 1.37 2.76 -0.79 -0.06 115.15 119.52 1naz h HIS 113 Ca 0.26 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.31 1naz h HIS 113 Cb -0.10 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1naz h HIS 113 CO -0.02 0.37 -0.22 0.28 -1.30 0.00 0.00 177.93 177.04 1naz h VAL 114 N 0.51 1.28 -0.65 5.26 2.07 -1.05 -1.75 116.25 121.93 1naz h VAL 114 Ca 0.14 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 1naz h VAL 114 Cb 0.01 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1naz h VAL 114 CO -0.03 0.46 0.17 -0.07 0.02 0.00 0.00 177.57 178.13 1naz h LEU 115 N 0.69 0.95 -0.85 2.57 3.38 -1.03 0.15 115.31 121.17 1naz h LEU 115 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1naz h LEU 115 Cb 0.79 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1naz h LEU 115 CO 0.06 0.91 0.41 -0.74 0.09 0.00 0.00 178.44 179.17 1naz h HIS 116 N 0.97 1.23 0.15 1.13 2.76 -0.80 0.13 115.15 120.72 1naz h HIS 116 Ca 0.21 -0.06 -0.30 0.00 -2.20 0.00 0.00 60.37 58.02 1naz h HIS 116 Cb 0.32 -0.38 0.03 0.00 1.55 0.00 0.00 27.41 28.93 1naz h HIS 116 CO 0.02 0.89 -1.26 1.03 -1.30 0.00 0.00 177.93 177.31 1naz h SER 117 N 1.21 0.86 0.84 3.26 0.87 -1.03 -3.36 113.55 116.20 1naz h SER 117 Ca 0.29 -0.85 -0.24 0.00 -1.23 0.00 0.00 61.79 59.77 1naz h SER 117 Cb 0.12 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1naz h SER 117 CO -0.04 1.62 -1.13 0.03 -0.53 0.00 0.00 176.83 176.79 1naz h ARG 118 N 0.21 0.10 -1.97 2.24 3.08 -0.93 -3.41 114.38 113.70 1naz h ARG 118 Ca -0.20 -0.17 -0.52 0.00 0.07 0.00 0.00 59.98 59.16 1naz h ARG 118 Cb 1.94 0.06 -0.41 0.00 0.08 0.00 0.00 29.97 31.65 1naz h ARG 118 CO 0.24 1.06 -0.96 0.72 -1.07 0.00 0.00 179.97 179.96 1naz n HIS 119 N -3.40 1.95 0.24 3.04 8.25 0.03 -4.85 115.22 120.48 1naz n HIS 119 Ca -0.04 -3.73 0.15 0.00 -0.26 0.00 0.00 57.72 53.84 1naz n HIS 119 Cb 0.98 -0.41 0.83 0.00 1.12 0.00 0.00 29.99 32.50 1naz n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1naz h PRO 120 N 2.96 0.00 0.00 -0.41 0.13 -1.74 0.29 132.00 133.22 1naz h PRO 120 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1naz h PRO 120 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1naz h PRO 120 CO 0.64 0.00 -0.02 0.78 -0.23 0.00 0.00 178.00 179.18 1naz h GLY 121 N 0.00 0.00 -0.32 1.56 0.00 -1.94 -3.26 103.07 99.11 1naz h GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1naz h GLY 121 CO -0.00 0.00 -0.16 0.70 0.00 0.00 0.00 176.54 177.08 1naz n ASN 122 N -3.11 1.00 -2.66 0.19 3.02 -0.76 -4.86 115.26 108.07 1naz n ASN 122 Ca 0.02 -2.06 -0.09 0.00 -0.03 0.00 0.00 54.58 52.42 1naz n ASN 122 Cb 0.42 -0.18 0.04 0.00 -0.61 0.00 0.00 39.78 39.45 1naz n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1naz n PHE 123 N -0.47 0.92 -1.08 3.10 7.35 0.94 -4.53 117.46 123.69 1naz n PHE 123 Ca 0.04 -2.74 -0.11 0.00 -0.76 0.00 0.00 57.45 53.89 1naz n PHE 123 Cb 0.55 -0.25 0.08 0.00 0.35 0.00 0.00 39.48 40.21 1naz n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1naz n GLY 124 N -0.09 -1.79 0.11 7.13 0.00 -1.26 -4.56 105.19 104.73 1naz n GLY 124 Ca 0.08 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 1naz n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1naz h ALA 125 N -2.06 0.16 -0.61 4.61 0.00 -1.98 0.17 119.26 119.54 1naz h ALA 125 Ca -0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1naz h ALA 125 Cb 0.44 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1naz h ALA 125 CO 0.10 -0.46 0.31 -0.44 0.00 0.00 0.00 179.25 178.77 1naz h ASP 126 N 0.02 0.79 -0.65 0.00 3.32 -1.99 -0.22 116.42 117.69 1naz h ASP 126 Ca 0.11 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1naz h ASP 126 Cb 0.15 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1naz h ASP 126 CO -0.21 0.69 0.20 0.00 -1.72 0.00 0.00 179.24 178.20 1naz h ALA 127 N 1.14 0.85 -0.67 3.45 0.00 -1.79 -1.45 119.26 120.78 1naz h ALA 127 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1naz h ALA 127 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1naz h ALA 127 CO -0.03 0.53 0.13 0.37 0.00 0.00 0.00 179.25 180.25 1naz h GLN 128 N 0.94 1.09 -0.76 0.00 4.15 -0.70 -1.23 115.11 118.61 1naz h GLN 128 Ca 0.21 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1naz h GLN 128 Cb 0.30 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1naz h GLN 128 CO -0.01 0.98 0.50 0.78 -1.93 0.00 0.00 178.83 179.15 1naz h GLY 129 N 1.06 1.06 0.95 2.39 0.00 -0.70 0.62 103.07 108.45 1naz h GLY 129 Ca 0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1naz h GLY 129 CO 0.01 0.39 0.13 0.00 0.00 0.00 0.00 176.54 177.06 1naz h ALA 130 N 1.28 0.56 -0.57 3.60 0.00 -0.95 -0.53 119.26 122.65 1naz h ALA 130 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1naz h ALA 130 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1naz h ALA 130 CO -0.06 0.22 0.25 1.98 0.00 0.00 0.00 179.25 181.63 1naz h MET 131 N 0.55 0.84 -0.67 0.00 -1.53 -0.92 -0.81 114.93 112.39 1naz h MET 131 Ca 0.14 -0.14 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1naz h MET 131 Cb 0.28 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 1naz h MET 131 CO -0.00 0.71 0.45 -0.97 0.14 0.00 0.00 176.91 177.23 1naz h ASN 132 N 0.78 0.77 -0.68 1.39 -1.24 -0.67 -0.03 115.58 115.90 1naz h ASN 132 Ca 0.19 -0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.21 1naz h ASN 132 Cb 0.17 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 1naz h ASN 132 CO -0.02 0.55 0.43 0.11 -1.29 0.00 0.00 177.43 177.22 1naz h LYS 133 N 0.91 0.83 -0.62 6.67 1.57 -0.71 0.19 116.57 125.41 1naz h LYS 133 Ca 0.25 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1naz h LYS 133 Cb -0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 1naz h LYS 133 CO -0.06 0.55 0.18 0.00 -0.57 0.00 0.00 179.45 179.55 1naz h ALA 134 N 1.28 0.81 -0.12 3.86 0.00 -0.57 -1.15 119.26 123.37 1naz h ALA 134 Ca 0.27 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1naz h ALA 134 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1naz h ALA 134 CO -0.10 0.49 -0.55 -0.07 0.00 0.00 0.00 179.25 179.03 1naz h LEU 135 N 0.88 0.38 -0.76 0.00 3.38 -0.60 -1.23 115.31 117.37 1naz h LEU 135 Ca 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1naz h LEU 135 Cb 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1naz h LEU 135 CO -0.00 0.85 0.24 -0.33 0.09 0.00 0.00 178.44 179.29 1naz h GLU 136 N 0.27 1.17 -0.24 1.13 5.08 -0.44 -0.40 114.58 121.15 1naz h GLU 136 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1naz h GLU 136 Cb 1.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1naz h GLU 136 CO 0.09 0.99 0.06 1.25 -1.00 0.00 0.00 179.01 180.40 1naz h LEU 137 N 1.12 0.36 -0.27 1.33 5.85 -1.00 0.46 115.31 123.16 1naz h LEU 137 Ca 0.24 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1naz h LEU 137 Cb 0.30 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1naz h LEU 137 CO -0.01 0.50 -0.10 0.15 -0.34 0.00 0.00 178.44 178.63 1naz h PHE 138 N 0.21 -0.24 -0.47 1.25 3.57 -1.03 -0.60 116.94 119.63 1naz h PHE 138 Ca 0.07 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1naz h PHE 138 Cb 0.27 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1naz h PHE 138 CO 0.01 -0.16 -0.09 0.00 -2.23 0.00 0.00 178.31 175.84 1naz h ARG 139 N -0.05 0.83 -0.13 1.11 3.08 -0.90 0.05 114.38 118.37 1naz h ARG 139 Ca 0.14 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1naz h ARG 139 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1naz h ARG 139 CO -0.31 0.89 0.08 -0.22 -1.07 0.00 0.00 179.97 179.34 1naz h LYS 140 N 0.76 0.18 -0.35 0.04 3.64 -0.53 0.10 116.57 120.40 1naz h LYS 140 Ca 0.13 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1naz h LYS 140 Cb 0.58 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1naz h LYS 140 CO 0.04 0.15 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.60 1naz h ASP 141 N 0.15 0.83 -0.58 4.20 3.32 -0.95 -1.89 116.42 121.49 1naz h ASP 141 Ca 0.05 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1naz h ASP 141 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1naz h ASP 141 CO -0.01 1.08 0.19 0.40 -1.72 0.00 0.00 179.24 179.19 1naz h ILE 142 N 0.66 1.24 -0.92 0.35 1.08 -0.89 -1.75 117.51 117.27 1naz h ILE 142 Ca 0.07 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1naz h ILE 142 Cb 0.87 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1naz h ILE 142 CO 0.08 0.30 0.61 0.00 -0.69 0.00 0.00 178.15 178.45 1naz h ALA 143 N 1.06 1.18 -0.68 1.87 0.00 -0.75 0.22 119.26 122.16 1naz h ALA 143 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1naz h ALA 143 Cb 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1naz h ALA 143 CO -0.01 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.07 1naz h ALA 144 N 1.34 0.88 -0.47 0.00 0.00 -1.09 -2.10 119.26 117.82 1naz h ALA 144 Ca 0.34 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1naz h ALA 144 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1naz h ALA 144 CO -0.08 0.50 -0.12 0.87 0.00 0.00 0.00 179.25 180.42 1naz h LYS 145 N 0.96 0.92 -0.45 0.00 1.79 -0.60 -2.15 116.57 117.04 1naz h LYS 145 Ca 0.23 -0.35 0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1naz h LYS 145 Cb 0.21 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.72 1naz h LYS 145 CO -0.02 1.01 -0.12 1.88 -1.08 0.00 0.00 179.45 181.11 1naz h TYR 146 N 0.76 -0.27 -0.76 -1.35 -1.99 -0.39 -0.39 116.97 112.58 1naz h TYR 146 Ca 0.12 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1naz h TYR 146 Cb 0.67 0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.55 1naz h TYR 146 CO 0.05 -0.21 0.48 -0.22 -0.00 0.00 0.00 178.16 178.26 1naz h LYS 147 N -0.02 1.02 -0.63 4.88 3.64 -1.20 0.04 116.57 124.30 1naz h LYS 147 Ca 0.22 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1naz h LYS 147 Cb 0.34 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1naz h LYS 147 CO -0.47 0.70 0.38 0.93 -2.27 0.00 0.00 179.45 178.73 1naz h GLU 148 N 1.03 0.85 0.00 1.90 5.08 -0.66 -2.23 114.58 120.56 1naz h GLU 148 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1naz h GLU 148 Cb -0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1naz h GLU 148 CO -0.05 0.59 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 1naz n LEU 149 N -4.41 0.00 0.00 1.33 4.77 -0.24 -4.92 117.00 113.53 1naz n LEU 149 Ca 0.06 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1naz n LEU 149 Cb 0.07 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1naz n LEU 149 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1naz n GLY 150 N 1.43 0.88 3.48 -0.72 0.00 -0.62 -5.03 105.19 104.61 1naz n GLY 150 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1naz n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1naz s TYR 151 N -2.00 3.09 0.32 1.61 5.04 -0.10 -4.98 117.35 120.33 1naz s TYR 151 Ca 0.00 -0.34 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 1naz s TYR 151 Cb 0.00 -2.13 0.53 0.00 0.35 0.00 0.00 41.96 40.71 1naz s TYR 151 CO 0.00 -0.20 1.90 -0.56 -1.34 0.00 0.00 175.55 175.34 1naz h GLN 152 N 7.57 0.73 0.00 4.97 -0.00 -1.93 -3.15 115.11 123.30 1naz h GLN 152 Ca -0.37 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1naz h GLN 152 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 1naz h GLN 152 CO 0.61 0.63 0.00 0.41 -0.00 0.00 0.00 178.83 180.48