#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f22 n THR 3 N 0.00 0.72 0.28 5.18 -2.24 -1.26 -4.54 114.28 112.42 2f22 n THR 3 Ca 0.00 -0.80 0.14 0.00 -2.27 0.00 0.00 64.05 61.12 2f22 n THR 3 Cb 0.00 0.58 0.84 0.00 -2.10 0.00 0.00 70.33 69.66 2f22 n THR 3 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2f22 h ASN 4 N 3.89 0.00 -0.29 3.42 2.35 -1.99 -0.87 115.58 122.09 2f22 h ASN 4 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 2f22 h ASN 4 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 2f22 h ASN 4 CO 0.00 0.04 -0.40 1.23 -1.65 0.00 0.00 177.43 176.66 2f22 h GLY 5 N 0.28 0.85 0.86 2.83 0.00 -2.00 -1.02 103.07 104.88 2f22 h GLY 5 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 2f22 h GLY 5 CO 0.01 0.84 0.04 -2.08 0.00 0.00 0.00 176.54 175.35 2f22 h VAL 6 N 0.54 1.22 -0.46 4.60 2.07 -1.68 -2.12 116.25 120.43 2f22 h VAL 6 Ca 0.03 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2f22 h VAL 6 Cb 0.99 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2f22 h VAL 6 CO 0.09 0.23 0.21 0.25 0.02 0.00 0.00 177.57 178.37 2f22 h LEU 7 N 0.20 0.28 -0.33 2.57 5.85 -1.17 -0.59 115.31 122.12 2f22 h LEU 7 Ca 0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2f22 h LEU 7 Cb 0.31 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2f22 h LEU 7 CO 0.00 0.20 0.14 0.22 -0.34 0.00 0.00 178.44 178.67 2f22 h TYR 8 N 0.42 0.50 -0.32 1.25 3.20 -1.12 -0.08 116.97 120.81 2f22 h TYR 8 Ca 0.21 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2f22 h TYR 8 Cb 0.14 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2f22 h TYR 8 CO -0.12 0.46 0.09 0.00 -1.64 0.00 0.00 178.16 176.95 2f22 h ALA 9 N 0.99 0.42 -0.47 1.82 0.00 -1.12 -3.05 119.26 117.85 2f22 h ALA 9 Ca 0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2f22 h ALA 9 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2f22 h ALA 9 CO -0.01 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 2f22 h ALA 10 N 0.92 0.64 0.00 0.00 0.00 -1.03 -2.56 119.26 117.25 2f22 h ALA 10 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2f22 h ALA 10 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2f22 h ALA 10 CO -0.00 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.86 2f22 n ASN 11 N -4.26 0.00 0.00 0.00 3.02 -0.05 -1.18 115.26 112.78 2f22 n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2f22 n ASN 11 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2f22 n ASN 11 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2f22 n THR 13 N 0.84 0.00 0.27 3.41 -1.04 -0.96 -1.74 114.28 115.06 2f22 n THR 13 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 2f22 n THR 13 Cb 0.00 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.25 2f22 n THR 13 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2f22 h ASN 14 N 0.00 0.00 -0.71 8.00 2.35 -1.44 -1.48 115.58 122.31 2f22 h ASN 14 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 2f22 h ASN 14 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2f22 h ASN 14 CO 0.00 0.00 0.50 0.00 -1.65 0.00 0.00 177.43 176.28 2f22 h ALA 15 N 2.00 2.57 -0.52 -0.83 0.00 -1.61 -0.97 119.26 119.91 2f22 h ALA 15 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2f22 h ALA 15 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2f22 h ALA 15 CO -0.00 -0.77 0.30 -0.07 0.00 0.00 0.00 179.25 178.71 2f22 h LEU 16 N 0.07 0.48 -0.48 0.00 3.38 -1.58 -0.96 115.31 116.23 2f22 h LEU 16 Ca 0.34 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.15 2f22 h LEU 16 Cb 1.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2f22 h LEU 16 CO -0.03 0.34 -0.73 0.00 0.09 0.00 0.00 178.44 178.11 2f22 h ALA 17 N 1.24 0.70 -0.26 1.53 0.00 -1.37 -1.93 119.26 119.16 2f22 h ALA 17 Ca 0.21 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2f22 h ALA 17 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2f22 h ALA 17 CO -0.10 0.82 -0.37 0.87 0.00 0.00 0.00 179.25 180.46 2f22 h LYS 18 N 0.14 0.60 0.00 0.00 1.57 -1.11 -3.36 116.57 114.41 2f22 h LYS 18 Ca -0.02 -0.29 -0.19 0.00 -1.87 0.00 0.00 60.65 58.27 2f22 h LYS 18 Cb 1.29 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 2f22 h LYS 18 CO 0.11 0.88 -2.09 0.39 -0.57 0.00 0.00 179.45 178.18 2f22 n GLU 19 N -4.05 0.87 -3.35 3.15 1.02 -0.39 -4.90 120.64 113.00 2f22 n GLU 19 Ca -0.01 -0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 2f22 n GLU 19 Cb 0.50 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 2f22 n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2f22 s ILE 20 N -2.81 5.18 0.52 -3.67 1.01 -0.73 -5.05 121.20 115.65 2f22 s ILE 20 Ca -0.08 0.78 -0.22 0.00 0.00 0.00 0.00 60.65 61.13 2f22 s ILE 20 Cb 0.08 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 2f22 s ILE 20 CO 0.76 0.24 1.33 -2.16 0.00 0.00 0.00 174.94 175.11 2f22 s PRO 21 N 1.33 3.30 0.61 2.79 0.04 -1.26 -4.79 135.00 137.01 2f22 s PRO 21 Ca 0.21 2.16 0.31 0.00 0.04 0.00 0.00 61.00 63.72 2f22 s PRO 21 Cb -0.15 -2.32 1.79 0.00 0.04 0.00 0.00 34.50 33.87 2f22 s PRO 21 CO 0.08 -1.04 2.16 1.49 0.04 0.00 0.00 177.00 179.73 2f22 h GLU 22 N 1.64 0.00 0.00 4.56 4.81 -1.96 -1.04 114.58 122.58 2f22 h GLU 22 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2f22 h GLU 22 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2f22 h GLU 22 CO 0.58 0.00 0.15 0.66 -0.73 0.00 0.00 179.01 179.67 2f22 h SER 23 N 0.00 0.00 -0.02 1.04 4.64 -2.03 -1.25 113.55 115.93 2f22 h SER 23 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2f22 h SER 23 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2f22 h SER 23 CO -0.00 0.00 -0.10 0.29 -0.87 0.00 0.00 176.83 176.15 2f22 n LYS 24 N -2.75 1.53 0.17 4.77 5.02 -0.40 -4.64 118.16 121.86 2f22 n LYS 24 Ca -0.02 -1.36 0.14 0.00 -2.02 0.00 0.00 58.31 55.04 2f22 n LYS 24 Cb 0.20 -1.33 0.48 0.00 -0.02 0.00 0.00 35.03 34.36 2f22 n LYS 24 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2f22 h TRP 25 N 3.05 0.00 -0.43 2.13 4.06 -1.33 -3.14 115.95 120.30 2f22 h TRP 25 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2f22 h TRP 25 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 2f22 h TRP 25 CO 0.00 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 174.63 2f22 n ASP 26 N -2.57 3.57 -4.68 -3.49 8.00 -1.26 -1.00 116.55 115.11 2f22 n ASP 26 Ca 0.03 -2.28 -0.38 0.00 0.71 0.00 0.00 54.79 52.86 2f22 n ASP 26 Cb 0.33 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 2f22 n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f22 s ILE 27 N -1.51 5.16 -0.13 0.53 -1.09 -1.19 -4.98 121.20 118.00 2f22 s ILE 27 Ca 0.35 0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 59.35 2f22 s ILE 27 Cb 0.22 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2f22 s ILE 27 CO 0.18 0.24 1.17 -1.58 -1.23 0.00 0.00 174.94 173.72 2f22 s GLN 28 N 1.26 4.30 -0.18 2.79 0.74 -1.26 -4.49 119.66 122.82 2f22 s GLN 28 Ca 0.23 1.58 -0.22 0.00 0.05 0.00 0.00 55.36 57.00 2f22 s GLN 28 Cb -0.15 -3.64 -0.21 0.00 1.10 0.00 0.00 33.01 30.10 2f22 s GLN 28 CO 0.09 -0.55 0.36 -0.07 -0.55 0.00 0.00 175.29 174.57 2f22 h LEU 29 N 8.93 0.04 -8.30 3.68 3.38 -1.84 -3.48 115.31 117.72 2f22 h LEU 29 Ca -0.29 -0.65 -0.23 0.00 0.09 0.00 0.00 57.88 56.80 2f22 h LEU 29 Cb 1.12 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 2f22 h LEU 29 CO 0.93 1.42 -0.71 0.27 0.09 0.00 0.00 178.44 180.43 2f22 s ILE 30 N -2.35 0.57 0.58 1.22 -4.36 -1.26 -4.82 121.20 110.79 2f22 s ILE 30 Ca -0.26 -1.56 0.30 0.00 -0.26 0.00 0.00 60.65 58.87 2f22 s ILE 30 Cb 0.04 -1.20 0.35 0.00 1.25 0.00 0.00 42.46 42.90 2f22 s ILE 30 CO 0.63 -0.68 2.25 -0.65 0.24 0.00 0.00 174.94 176.73 2f22 h PRO 31 N 3.63 0.00 0.00 0.37 0.11 -2.00 -2.95 132.00 131.16 2f22 h PRO 31 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2f22 h PRO 31 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2f22 h PRO 31 CO 0.55 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.27 2f22 h GLU 32 N 0.00 0.00 -4.83 1.05 3.07 -2.02 -3.46 114.58 108.39 2f22 h GLU 32 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 2f22 h GLU 32 Cb 0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 27.76 2f22 h GLU 32 CO 0.00 0.00 -0.72 -0.51 -1.40 0.00 0.00 179.01 176.38 2f22 s LEU 33 N -4.64 2.44 0.00 1.33 1.43 -1.11 -5.16 118.68 112.96 2f22 s LEU 33 Ca 0.09 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 2f22 s LEU 33 Cb 0.11 -0.22 0.22 0.00 0.03 0.00 0.00 46.19 46.33 2f22 s LEU 33 CO 0.56 -0.33 1.17 0.61 0.23 0.00 0.00 176.35 178.60 2f22 n GLY 34 N 0.38 -1.69 3.67 -3.19 0.00 -1.26 -4.61 105.19 98.49 2f22 n GLY 34 Ca -0.15 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2f22 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f22 s THR 35 N -3.50 2.48 0.22 2.61 -4.23 -1.26 -4.70 115.64 107.26 2f22 s THR 35 Ca 0.68 0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 2f22 s THR 35 Cb -0.03 -2.50 0.19 0.00 1.34 0.00 0.00 72.50 71.51 2f22 s THR 35 CO 0.48 -0.20 1.88 -0.07 -0.54 0.00 0.00 174.62 176.17 2f22 h LEU 36 N -1.77 0.99 -0.61 4.79 3.38 -1.75 -1.41 115.31 118.93 2f22 h LEU 36 Ca -0.50 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.47 2f22 h LEU 36 Cb 1.29 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2f22 h LEU 36 CO 0.52 0.74 0.34 -0.09 0.09 0.00 0.00 178.44 180.03 2f22 h ARG 37 N 1.15 0.62 -0.45 1.13 2.43 -1.42 0.25 114.38 118.10 2f22 h ARG 37 Ca 0.31 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2f22 h ARG 37 Cb -0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 2f22 h ARG 37 CO -0.06 0.41 0.01 0.87 -1.51 0.00 0.00 179.97 179.69 2f22 h LYS 38 N 0.64 0.73 -0.15 0.20 1.57 -1.68 -0.60 116.57 117.27 2f22 h LYS 38 Ca 0.27 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2f22 h LYS 38 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f22 h LYS 38 CO -0.16 0.73 0.09 1.25 -0.57 0.00 0.00 179.45 180.80 2f22 h LEU 39 N 0.69 0.18 -0.64 2.94 5.85 -0.59 -1.61 115.31 122.13 2f22 h LEU 39 Ca 0.14 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2f22 h LEU 39 Cb 0.41 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2f22 h LEU 39 CO 0.02 0.17 0.18 -0.26 -0.34 0.00 0.00 178.44 178.20 2f22 h PHE 40 N 0.17 1.06 -0.82 1.25 0.04 -0.37 0.62 116.94 118.90 2f22 h PHE 40 Ca 0.05 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.72 2f22 h PHE 40 Cb 0.03 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 2f22 h PHE 40 CO -0.05 0.87 0.54 0.82 -0.60 0.00 0.00 178.31 179.88 2f22 h ILE 41 N 0.94 1.18 -0.38 -0.55 2.04 -1.04 -1.67 117.51 118.03 2f22 h ILE 41 Ca 0.20 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2f22 h ILE 41 Cb 0.33 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2f22 h ILE 41 CO -0.00 0.20 0.16 -0.74 0.00 0.00 0.00 178.15 177.77 2f22 h HIS 42 N 1.07 0.57 -0.41 1.37 2.76 -0.55 -1.75 115.15 118.22 2f22 h HIS 42 Ca 0.31 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2f22 h HIS 42 Cb -0.08 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 2f22 h HIS 42 CO -0.02 0.50 0.25 0.82 -1.30 0.00 0.00 177.93 178.19 2f22 h ILE 43 N 0.48 1.07 -0.19 6.26 1.08 -0.59 -0.48 117.51 125.13 2f22 h ILE 43 Ca 0.13 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2f22 h ILE 43 Cb 0.16 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2f22 h ILE 43 CO -0.01 0.09 0.10 0.58 -0.69 0.00 0.00 178.15 178.22 2f22 h VAL 44 N 0.51 1.11 -0.37 1.67 2.07 -1.23 -1.43 116.25 118.59 2f22 h VAL 44 Ca 0.16 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2f22 h VAL 44 Cb -0.02 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2f22 h VAL 44 CO -0.06 0.11 0.17 -0.09 0.02 0.00 0.00 177.57 177.72 2f22 h ARG 45 N 0.19 0.34 -0.23 1.57 2.43 -0.95 -1.55 114.38 116.18 2f22 h ARG 45 Ca 0.07 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2f22 h ARG 45 Cb 0.09 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2f22 h ARG 45 CO -0.01 0.22 -0.33 0.28 -1.51 0.00 0.00 179.97 178.62 2f22 h VAL 46 N 0.35 1.32 -0.54 0.20 2.07 -0.98 -1.41 116.25 117.26 2f22 h VAL 46 Ca 0.16 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.22 2f22 h VAL 46 Cb 0.09 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2f22 h VAL 46 CO -0.13 0.48 0.22 0.03 0.02 0.00 0.00 177.57 178.19 2f22 h ARG 47 N 0.34 0.41 -0.19 1.57 3.08 -1.13 -1.50 114.38 116.95 2f22 h ARG 47 Ca 0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2f22 h ARG 47 Cb 0.92 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2f22 h ARG 47 CO 0.08 0.27 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.63 2f22 h ASP 48 N 0.42 0.32 -0.28 7.04 3.32 -1.09 0.28 116.42 126.42 2f22 h ASP 48 Ca 0.26 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2f22 h ASP 48 Cb 0.26 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2f22 h ASP 48 CO -0.24 0.52 0.13 0.58 -1.72 0.00 0.00 179.24 178.51 2f22 h VAL 49 N 0.30 1.16 -0.23 -1.35 2.07 -0.55 -0.91 116.25 116.74 2f22 h VAL 49 Ca 0.05 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2f22 h VAL 49 Cb 0.50 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2f22 h VAL 49 CO 0.03 0.16 -0.26 1.88 0.02 0.00 0.00 177.57 179.40 2f22 h TYR 50 N 0.32 0.50 -0.23 1.57 0.05 -0.78 -1.37 116.97 117.03 2f22 h TYR 50 Ca 0.10 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2f22 h TYR 50 Cb 0.14 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2f22 h TYR 50 CO -0.02 0.67 0.15 -0.09 -1.05 0.00 0.00 178.16 177.82 2f22 h ARG 51 N 0.39 0.30 -0.08 4.88 2.43 -0.74 -1.10 114.38 120.46 2f22 h ARG 51 Ca 0.06 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2f22 h ARG 51 Cb 0.67 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2f22 h ARG 51 CO 0.05 0.21 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.83 2f22 h ASP 52 N 0.30 0.18 -0.54 -3.80 3.32 -1.02 -1.80 116.42 113.06 2f22 h ASP 52 Ca 0.08 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2f22 h ASP 52 Cb -0.03 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2f22 h ASP 52 CO -0.02 0.61 0.18 1.23 -1.72 0.00 0.00 179.24 179.51 2f22 h GLY 53 N 1.29 0.89 1.11 2.75 0.00 -0.83 -0.74 103.07 107.54 2f22 h GLY 53 Ca 0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2f22 h GLY 53 CO 0.07 0.49 0.43 1.41 0.00 0.00 0.00 176.54 178.93 2f22 h LEU 54 N 0.74 1.05 -0.28 3.11 3.38 -0.95 0.25 115.31 122.60 2f22 h LEU 54 Ca 0.17 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2f22 h LEU 54 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2f22 h LEU 54 CO -0.01 0.86 -0.24 0.11 0.09 0.00 0.00 178.44 179.25 2f22 h LYS 55 N 1.16 0.66 0.00 1.13 1.57 -1.02 -3.34 116.57 116.74 2f22 h LYS 55 Ca 0.29 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f22 h LYS 55 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2f22 h LYS 55 CO -0.04 0.94 -1.83 0.25 -0.57 0.00 0.00 179.45 178.20 2f22 n THR 56 N -4.32 0.07 -0.25 -0.16 -2.24 -0.31 -4.99 114.28 102.09 2f22 n THR 56 Ca -0.04 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2f22 n THR 56 Cb 0.44 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2f22 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f22 n GLY 57 N 1.27 0.74 2.87 3.38 0.00 0.85 -5.04 105.19 109.25 2f22 n GLY 57 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2f22 n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f22 s SER 58 N -2.92 0.14 -0.00 1.61 0.15 -1.07 -0.88 113.70 110.74 2f22 s SER 58 Ca 0.00 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.65 2f22 s SER 58 Cb 0.00 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2f22 s SER 58 CO 0.00 -0.17 0.76 -0.63 1.20 0.00 0.00 173.24 174.40 2f22 s ILE 59 N 1.42 4.86 -0.48 6.45 1.01 0.60 -4.09 121.20 130.97 2f22 s ILE 59 Ca -0.06 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.21 2f22 s ILE 59 Cb -0.12 -4.10 0.14 0.00 0.01 0.00 0.00 42.46 38.39 2f22 s ILE 59 CO -0.05 0.31 0.28 -0.54 0.00 0.00 0.00 174.94 174.93 2f22 s LYS 60 N 0.35 1.49 0.61 2.79 -0.14 -1.26 -4.48 119.74 119.09 2f22 s LYS 60 Ca 0.39 -2.25 -0.13 0.00 -1.36 0.00 0.00 55.97 52.62 2f22 s LYS 60 Cb -0.19 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2f22 s LYS 60 CO 0.22 -1.19 1.03 -0.06 -0.76 0.00 0.00 175.35 174.59 2f22 s PHE 61 N 0.03 3.35 0.15 3.18 0.08 -1.26 -3.80 117.98 119.71 2f22 s PHE 61 Ca 0.20 1.40 0.11 0.00 0.12 0.00 0.00 56.93 58.76 2f22 s PHE 61 Cb -0.20 -2.83 0.17 0.00 -0.57 0.00 0.00 43.02 39.59 2f22 s PHE 61 CO -0.03 -0.83 1.49 -1.00 -0.10 0.00 0.00 175.22 174.75 2f22 h PRO 62 N -0.02 0.00 0.00 0.24 0.13 -2.02 -3.52 132.00 126.81 2f22 h PRO 62 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2f22 h PRO 62 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2f22 h PRO 62 CO 0.60 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 2f22 n GLY 63 N 0.76 -0.61 3.91 1.56 0.00 -1.25 -4.86 105.19 104.70 2f22 n GLY 63 Ca -0.00 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 2f22 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f22 s ARG 64 N 0.00 3.56 0.93 1.61 0.52 -1.26 -5.10 118.95 119.21 2f22 s ARG 64 Ca 0.00 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.88 2f22 s ARG 64 Cb 0.00 -2.85 0.15 0.00 0.52 0.00 0.00 34.95 32.78 2f22 s ARG 64 CO 0.00 0.43 1.10 -0.51 0.02 0.00 0.00 175.30 176.34 2f22 s LEU 65 N -2.98 2.29 0.44 2.53 1.43 -1.26 -4.82 118.68 116.32 2f22 s LEU 65 Ca 0.40 1.77 -0.25 0.00 -1.03 0.00 0.00 54.13 55.01 2f22 s LEU 65 Cb -0.12 -4.12 -0.08 0.00 0.03 0.00 0.00 46.19 41.90 2f22 s LEU 65 CO 0.27 -2.99 1.38 0.00 0.23 0.00 0.00 176.35 175.24 2f22 s ALA 66 N -2.75 3.23 0.34 4.21 0.00 -1.26 -4.95 121.76 120.58 2f22 s ALA 66 Ca 0.65 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.71 2f22 s ALA 66 Cb -0.21 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 2f22 s ALA 66 CO 0.59 -1.07 1.27 0.45 0.00 0.00 0.00 175.76 176.99 2f22 n SER 67 N -0.12 2.66 -0.38 0.00 2.88 -1.26 -4.92 113.62 112.48 2f22 n SER 67 Ca 0.05 1.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 2f22 n SER 67 Cb 0.42 -1.47 0.34 0.00 -0.75 0.00 0.00 64.21 62.75 2f22 n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2f22 n ASP 68 N 0.83 1.41 -0.03 -3.46 8.00 -1.26 -4.43 116.55 117.61 2f22 n ASP 68 Ca 0.05 -1.19 -0.00 0.00 0.71 0.00 0.00 54.79 54.36 2f22 n ASP 68 Cb 0.36 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2f22 n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2f22 n GLU 69 N -0.24 1.47 -5.27 -1.24 4.71 -1.26 -5.04 120.64 113.77 2f22 n GLU 69 Ca 0.13 -0.05 -0.31 0.00 -0.01 0.00 0.00 57.16 56.93 2f22 n GLU 69 Cb 0.38 -1.24 -0.16 0.00 -1.01 0.00 0.00 31.44 29.42 2f22 n GLU 69 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2f22 s HIS 70 N -2.45 2.37 0.58 -0.32 3.76 -1.26 -5.11 115.29 112.85 2f22 s HIS 70 Ca -0.04 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.25 2f22 s HIS 70 Cb 0.04 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2f22 s HIS 70 CO 0.40 -0.02 1.33 1.03 -0.85 0.00 0.00 174.74 176.63 2f22 s ARG 71 N -0.61 2.97 0.26 1.40 0.52 -1.26 -4.81 118.95 117.42 2f22 s ARG 71 Ca 0.10 2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 57.42 2f22 s ARG 71 Cb -0.10 -2.12 0.33 0.00 0.52 0.00 0.00 34.95 33.58 2f22 s ARG 71 CO -0.01 -1.30 1.87 1.25 0.02 0.00 0.00 175.30 177.14 2f22 h LEU 72 N 1.16 0.98 -0.64 2.53 5.85 -1.98 -0.53 115.31 122.68 2f22 h LEU 72 Ca -0.51 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2f22 h LEU 72 Cb 1.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2f22 h LEU 72 CO 0.56 0.81 0.37 0.25 -0.34 0.00 0.00 178.44 180.09 2f22 h LEU 73 N 1.09 0.56 -0.76 2.25 5.85 -1.95 -0.19 115.31 122.15 2f22 h LEU 73 Ca 0.27 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 2f22 h LEU 73 Cb 0.08 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2f22 h LEU 73 CO -0.04 0.38 -0.10 0.44 -0.34 0.00 0.00 178.44 178.78 2f22 h ASP 74 N 0.69 0.83 -0.37 1.25 3.32 -1.73 -2.12 116.42 118.28 2f22 h ASP 74 Ca 0.27 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2f22 h ASP 74 Cb 0.12 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2f22 h ASP 74 CO -0.15 0.95 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.92 2f22 h GLU 75 N 0.76 0.80 -0.81 3.56 4.39 -0.57 0.20 114.58 122.91 2f22 h GLU 75 Ca 0.13 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 2f22 h GLU 75 Cb 0.60 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2f22 h GLU 75 CO 0.04 0.85 0.34 -0.07 -1.16 0.00 0.00 179.01 179.01 2f22 h LEU 76 N 0.73 1.11 -0.15 1.33 3.38 -0.81 0.27 115.31 121.17 2f22 h LEU 76 Ca 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2f22 h LEU 76 Cb 0.55 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2f22 h LEU 76 CO 0.03 0.97 -0.04 -0.08 0.09 0.00 0.00 178.44 179.42 2f22 h GLU 77 N 1.18 0.28 -0.29 1.13 4.57 -1.16 -3.25 114.58 117.05 2f22 h GLU 77 Ca 0.27 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2f22 h GLU 77 Cb 0.20 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2f22 h GLU 77 CO -0.02 0.57 0.18 -0.09 -1.18 0.00 0.00 179.01 178.47 2f22 h ARG 78 N -0.02 0.40 -1.21 1.92 2.43 -0.88 -1.41 114.38 115.60 2f22 h ARG 78 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2f22 h ARG 78 Cb 0.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2f22 h ARG 78 CO 0.01 0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 177.64 2f22 n SER 79 N -4.86 0.40 0.00 -3.80 3.41 0.08 -0.55 113.62 108.29 2f22 n SER 79 Ca -0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2f22 n SER 79 Cb 0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2f22 n SER 79 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f22 n GLU 81 N 0.73 0.00 0.03 4.33 1.02 -0.53 -2.08 120.64 124.13 2f22 n GLU 81 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2f22 n GLU 81 Cb 0.07 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.58 2f22 n GLU 81 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2f22 h GLU 82 N 0.00 0.44 -0.15 3.49 5.08 -1.08 -1.14 114.58 121.22 2f22 h GLU 82 Ca 0.00 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 2f22 h GLU 82 Cb 0.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2f22 h GLU 82 CO 0.00 0.87 -0.05 1.25 -1.00 0.00 0.00 179.01 180.07 2f22 h LEU 83 N 0.34 0.31 -0.48 1.33 5.85 -1.64 -1.68 115.31 119.33 2f22 h LEU 83 Ca 0.01 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.42 2f22 h LEU 83 Cb 1.05 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2f22 h LEU 83 CO 0.09 0.63 0.10 0.58 -0.34 0.00 0.00 178.44 179.51 2f22 h VAL 84 N -0.02 0.74 -0.74 1.05 2.07 -1.80 -1.71 116.25 115.84 2f22 h VAL 84 Ca 0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2f22 h VAL 84 Cb 0.50 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2f22 h VAL 84 CO 0.02 0.04 0.42 0.15 0.02 0.00 0.00 177.57 178.23 2f22 h PHE 85 N 0.24 1.01 -0.30 1.57 3.57 -1.09 -1.57 116.94 120.37 2f22 h PHE 85 Ca 0.24 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2f22 h PHE 85 Cb 0.31 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2f22 h PHE 85 CO -0.22 0.70 -0.16 0.93 -2.23 0.00 0.00 178.31 177.33 2f22 h GLU 86 N 1.02 0.53 -0.61 1.11 4.39 -0.82 -1.49 114.58 118.72 2f22 h GLU 86 Ca 0.26 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2f22 h GLU 86 Cb 0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2f22 h GLU 86 CO -0.05 0.67 0.03 0.74 -1.16 0.00 0.00 179.01 179.24 2f22 h PHE 87 N 0.48 1.12 -0.31 4.33 0.04 -0.95 -1.20 116.94 120.45 2f22 h PHE 87 Ca 0.08 -0.18 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 2f22 h PHE 87 Cb 0.55 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2f22 h PHE 87 CO 0.02 0.98 -0.17 0.87 -0.60 0.00 0.00 178.31 179.41 2f22 h LYS 88 N 0.96 0.56 0.00 1.51 1.57 -0.73 -3.23 116.57 117.21 2f22 h LYS 88 Ca 0.18 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2f22 h LYS 88 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2f22 h LYS 88 CO 0.02 0.71 -1.19 1.04 -0.57 0.00 0.00 179.45 179.46 2f22 n GLN 89 N -4.16 0.27 -1.97 3.15 1.13 -0.61 -4.97 117.38 110.21 2f22 n GLN 89 Ca 0.00 -0.04 -0.38 0.00 -1.94 0.00 0.00 57.00 54.64 2f22 n GLN 89 Cb 0.37 -1.55 0.02 0.00 0.11 0.00 0.00 30.24 29.18 2f22 n GLN 89 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2f22 s THR 90 N -3.20 2.48 0.00 5.09 -1.32 -0.47 -4.93 115.64 113.29 2f22 s THR 90 Ca 0.03 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.88 2f22 s THR 90 Cb 0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 2f22 s THR 90 CO 0.84 0.01 0.86 0.35 -2.21 0.00 0.00 174.62 174.47 2f22 n THR 91 N -0.63 0.74 -2.20 5.08 -2.24 -1.26 -5.05 114.28 108.73 2f22 n THR 91 Ca 0.08 -0.80 -0.38 0.00 -2.27 0.00 0.00 64.05 60.69 2f22 n THR 91 Cb 0.45 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 2f22 n THR 91 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2f22 s PHE 92 N -0.74 2.86 -0.08 4.78 0.08 -1.26 -4.96 117.98 118.66 2f22 s PHE 92 Ca 0.00 1.51 0.12 0.00 0.12 0.00 0.00 56.93 58.68 2f22 s PHE 92 Cb 0.00 -3.45 -0.24 0.00 -0.57 0.00 0.00 43.02 38.76 2f22 s PHE 92 CO 0.00 -1.65 0.54 0.09 -0.10 0.00 0.00 175.22 174.09 2f22 n ASN 93 N -0.34 0.88 -3.92 1.36 3.02 -1.26 -4.82 115.26 110.18 2f22 n ASN 93 Ca 0.06 0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 54.84 2f22 n ASN 93 Cb 0.47 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.53 2f22 n ASN 93 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2f22 s SER 94 N -6.09 0.11 -0.10 6.41 0.15 -1.26 -2.80 113.70 110.12 2f22 s SER 94 Ca -0.07 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2f22 s SER 94 Cb 0.08 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2f22 s SER 94 CO 0.82 -0.21 -0.18 -0.63 1.20 0.00 0.00 173.24 174.24 2f22 s ILE 95 N -0.93 1.68 0.57 6.45 -1.09 0.49 -4.94 121.20 123.43 2f22 s ILE 95 Ca -0.10 -0.77 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 2f22 s ILE 95 Cb -0.06 -1.49 0.14 0.00 -1.58 0.00 0.00 42.46 39.47 2f22 s ILE 95 CO -0.00 0.48 0.59 1.17 -1.23 0.00 0.00 174.94 175.94 2f22 n LYS 96 N 3.88 -1.60 0.00 2.79 4.81 -0.06 -0.83 118.16 127.15 2f22 n LYS 96 Ca -0.20 -0.92 0.00 0.00 -0.87 0.00 0.00 58.31 56.32 2f22 n LYS 96 Cb 0.52 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.80 2f22 n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2f22 n GLY 98 N -0.53 0.00 0.10 3.14 0.00 -1.26 -0.29 105.19 106.34 2f22 n GLY 98 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2f22 n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f22 n GLU 99 N 0.00 0.26 -3.58 1.61 2.13 -1.26 -4.92 120.64 114.88 2f22 n GLU 99 Ca 0.00 0.20 -0.19 0.00 0.66 0.00 0.00 57.16 57.82 2f22 n GLU 99 Cb 0.00 -1.79 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 2f22 n GLU 99 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2f22 s ASN 100 N -4.46 5.88 -0.05 4.31 0.01 -1.26 -5.12 114.94 114.25 2f22 s ASN 100 Ca 0.10 -0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 2f22 s ASN 100 Cb 0.13 -1.24 -0.00 0.00 0.41 0.00 0.00 41.25 40.54 2f22 s ASN 100 CO 0.61 -0.38 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.33 2f22 s TYR 101 N -2.18 1.78 -0.15 2.20 1.51 -1.26 -4.48 117.35 114.76 2f22 s TYR 101 Ca 0.43 -0.56 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 2f22 s TYR 101 Cb -0.09 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2f22 s TYR 101 CO 0.30 -0.21 0.03 -0.51 -1.11 0.00 0.00 175.55 174.05 2f22 s LEU 102 N 0.18 3.65 0.87 -1.29 1.43 -0.01 -4.92 118.68 118.59 2f22 s LEU 102 Ca -0.07 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2f22 s LEU 102 Cb -0.13 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.31 2f22 s LEU 102 CO 0.03 0.22 1.10 -0.94 0.23 0.00 0.00 176.35 177.00 2f22 s SER 103 N 0.06 3.57 0.00 2.29 1.04 -1.26 -0.38 113.70 119.03 2f22 s SER 103 Ca 0.04 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2f22 s SER 103 Cb -0.13 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2f22 s SER 103 CO 0.01 -2.63 0.09 -0.38 0.98 0.00 0.00 173.24 171.31 2f22 n ILE 104 N -3.90 0.08 0.00 -1.02 2.08 -1.12 -1.11 119.36 114.37 2f22 n ILE 104 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2f22 n ILE 104 Cb 0.53 -0.49 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 2f22 n ILE 104 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2f22 n GLU 106 N 0.90 0.00 -0.12 0.38 1.02 -1.26 -0.88 120.64 120.68 2f22 n GLU 106 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2f22 n GLU 106 Cb 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.44 2f22 n GLU 106 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2f22 h LEU 107 N 0.00 0.63 -0.85 -4.62 5.85 -1.43 -0.70 115.31 114.18 2f22 h LEU 107 Ca 0.00 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.45 2f22 h LEU 107 Cb 0.00 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2f22 h LEU 107 CO 0.00 0.81 0.53 0.25 -0.34 0.00 0.00 178.44 179.68 2f22 h LEU 108 N 0.43 0.83 -0.36 2.25 6.46 -1.27 -1.15 115.31 122.51 2f22 h LEU 108 Ca 0.09 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2f22 h LEU 108 Cb 0.50 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 2f22 h LEU 108 CO 0.02 0.54 0.15 1.23 -0.62 0.00 0.00 178.44 179.76 2f22 h GLY 109 N 0.97 0.57 0.95 3.75 0.00 -1.74 -1.91 103.07 105.66 2f22 h GLY 109 Ca 0.37 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2f22 h GLY 109 CO -0.17 0.29 0.56 -0.84 0.00 0.00 0.00 176.54 176.38 2f22 h THR 110 N 0.44 1.19 0.02 4.70 2.02 -0.58 0.63 112.91 121.33 2f22 h THR 110 Ca 0.12 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2f22 h THR 110 Cb 0.17 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2f22 h THR 110 CO -0.01 0.21 -0.01 0.58 0.37 0.00 0.00 175.52 176.65 2f22 h VAL 111 N 1.13 1.03 -0.51 3.16 2.07 -0.97 -0.18 116.25 121.97 2f22 h VAL 111 Ca 0.33 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 2f22 h VAL 111 Cb -0.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2f22 h VAL 111 CO -0.09 0.04 0.17 0.40 0.02 0.00 0.00 177.57 178.11 2f22 h ILE 112 N -0.10 1.23 -0.87 4.57 2.04 -1.11 -2.17 117.51 121.10 2f22 h ILE 112 Ca -0.00 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2f22 h ILE 112 Cb 0.09 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2f22 h ILE 112 CO 0.01 0.27 0.49 -0.61 0.00 0.00 0.00 178.15 178.31 2f22 h GLN 113 N 0.69 1.20 -0.44 2.37 4.15 -0.73 -1.57 115.11 120.78 2f22 h GLN 113 Ca 0.17 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2f22 h GLN 113 Cb 0.25 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2f22 h GLN 113 CO -0.01 0.86 0.18 1.25 -1.93 0.00 0.00 178.83 179.18 2f22 h HIS 114 N 1.20 0.66 -0.51 3.99 2.76 -0.78 0.61 115.15 123.08 2f22 h HIS 114 Ca 0.31 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 2f22 h HIS 114 Cb 0.00 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.71 2f22 h HIS 114 CO 0.00 0.57 0.24 0.93 -1.30 0.00 0.00 177.93 178.37 2f22 h GLU 115 N 0.56 0.45 -0.50 5.26 4.39 -1.09 -2.45 114.58 121.19 2f22 h GLU 115 Ca 0.15 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2f22 h GLU 115 Cb 0.18 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2f22 h GLU 115 CO -0.01 0.30 0.29 0.78 -1.16 0.00 0.00 179.01 179.20 2f22 h GLY 116 N 0.46 0.73 0.70 -3.84 0.00 -0.74 -1.37 103.07 99.01 2f22 h GLY 116 Ca 0.23 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2f22 h GLY 116 CO -0.18 0.31 0.11 -2.22 0.00 0.00 0.00 176.54 174.55 2f22 h ILE 117 N 0.67 0.90 -0.22 2.60 2.04 -0.62 -0.12 117.51 122.75 2f22 h ILE 117 Ca 0.18 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 2f22 h ILE 117 Cb 0.02 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2f22 h ILE 117 CO -0.03 0.05 -0.33 0.45 0.00 0.00 0.00 178.15 178.28 2f22 h HIS 118 N 0.25 0.54 -0.21 1.37 3.86 -1.24 -0.96 115.15 118.76 2f22 h HIS 118 Ca 0.15 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2f22 h HIS 118 Cb 0.13 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2f22 h HIS 118 CO -0.14 0.75 0.12 1.96 0.86 0.00 0.00 177.93 181.47 2f22 h GLN 119 N 0.40 0.24 -0.67 2.45 4.20 -0.70 -1.67 115.11 119.36 2f22 h GLN 119 Ca 0.05 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2f22 h GLN 119 Cb 0.78 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 2f22 h GLN 119 CO 0.06 0.16 0.25 0.78 -0.67 0.00 0.00 178.83 179.41 2f22 h GLY 120 N 0.25 1.09 0.82 3.46 0.00 -0.73 0.16 103.07 108.13 2f22 h GLY 120 Ca 0.08 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.82 2f22 h GLY 120 CO -0.04 0.57 0.04 1.46 0.00 0.00 0.00 176.54 178.58 2f22 h GLN 121 N 0.96 0.11 0.00 4.80 4.20 -1.03 -2.97 115.11 121.18 2f22 h GLN 121 Ca 0.22 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2f22 h GLN 121 Cb 0.24 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2f22 h GLN 121 CO -0.01 0.08 -0.01 1.88 -0.67 0.00 0.00 178.83 180.09 2f22 h TYR 122 N 0.12 0.00 -0.39 2.96 -1.99 -1.15 -2.37 116.97 114.15 2f22 h TYR 122 Ca 0.08 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.89 2f22 h TYR 122 Cb 0.06 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.72 2f22 h TYR 122 CO -0.13 0.01 -0.12 -0.92 -0.00 0.00 0.00 178.16 177.00 2f22 h TYR 123 N 0.00 -0.26 -0.31 4.88 3.20 -0.80 0.93 116.97 124.61 2f22 h TYR 123 Ca -0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2f22 h TYR 123 Cb 0.85 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2f22 h TYR 123 CO 0.00 -0.19 0.00 0.28 -1.64 0.00 0.00 178.16 176.61 2f22 h VAL 124 N -0.03 1.26 -0.60 1.81 2.07 -1.39 -1.78 116.25 117.60 2f22 h VAL 124 Ca 0.19 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2f22 h VAL 124 Cb 0.32 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2f22 h VAL 124 CO -0.42 0.30 0.31 0.00 0.02 0.00 0.00 177.57 177.78 2f22 h ALA 125 N 0.84 0.76 -0.39 1.67 0.00 -1.18 -0.88 119.26 120.08 2f22 h ALA 125 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2f22 h ALA 125 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2f22 h ALA 125 CO 0.02 0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 179.48 2f22 h LEU 126 N 0.81 0.69 -0.43 0.00 3.38 -0.76 -1.26 115.31 117.74 2f22 h LEU 126 Ca 0.21 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2f22 h LEU 126 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2f22 h LEU 126 CO -0.03 0.84 0.23 0.11 0.09 0.00 0.00 178.44 179.68 2f22 h LYS 127 N 0.52 0.45 0.00 1.13 1.79 -1.11 -1.21 116.57 118.14 2f22 h LYS 127 Ca 0.11 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2f22 h LYS 127 Cb 0.50 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2f22 h LYS 127 CO 0.02 0.30 -0.14 1.96 -1.08 0.00 0.00 179.45 180.51 2f22 h GLN 128 N 0.47 0.00 -0.04 3.15 4.20 -1.01 -3.06 115.11 118.81 2f22 h GLN 128 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2f22 h GLN 128 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2f22 h GLN 128 CO -0.10 0.14 0.00 -1.13 -0.67 0.00 0.00 178.83 177.06 2f22 n SER 129 N -3.19 2.81 -0.08 1.46 3.41 -0.49 -4.98 113.62 112.56 2f22 n SER 129 Ca 0.02 -1.93 -0.01 0.00 -0.26 0.00 0.00 58.87 56.69 2f22 n SER 129 Cb 0.48 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2f22 n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f22 n GLY 130 N 1.33 0.50 3.72 5.00 0.00 -0.57 -5.04 105.19 110.13 2f22 n GLY 130 Ca 0.15 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2f22 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f22 s ILE 131 N -2.00 5.17 0.34 -0.61 1.01 -0.57 -5.03 121.20 119.52 2f22 s ILE 131 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 2f22 s ILE 131 Cb 0.00 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 2f22 s ILE 131 CO 0.00 0.31 1.38 0.59 0.00 0.00 0.00 174.94 177.22 2f22 n ASN 132 N 3.75 3.14 -4.78 3.58 3.02 -1.26 -4.38 115.26 118.34 2f22 n ASN 132 Ca -0.06 1.20 -0.35 0.00 -0.03 0.00 0.00 54.58 55.34 2f22 n ASN 132 Cb 0.51 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 2f22 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2f22 s LEU 133 N -1.18 3.73 0.44 3.41 1.43 -1.26 -4.96 118.68 120.29 2f22 s LEU 133 Ca 0.56 2.13 -0.25 0.00 -1.03 0.00 0.00 54.13 55.55 2f22 s LEU 133 Cb -0.54 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.01 2f22 s LEU 133 CO 0.61 -1.20 1.23 -2.65 0.23 0.00 0.00 176.35 174.57 2f22 n PRO 134 N -1.35 1.80 -0.34 1.29 -0.02 -1.26 -4.88 135.00 130.23 2f22 n PRO 134 Ca 0.11 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.27 2f22 n PRO 134 Cb 0.51 -2.35 0.21 0.00 -0.02 0.00 0.00 33.50 31.85 2f22 n PRO 134 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2f22 h LYS 135 N 1.91 1.07 -0.33 -0.52 1.57 -1.93 -1.57 116.57 116.76 2f22 h LYS 135 Ca -0.48 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 2f22 h LYS 135 Cb 1.30 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2f22 h LYS 135 CO 0.59 0.71 0.15 0.37 -0.57 0.00 0.00 179.45 180.70 2f22 h GLN 136 N 1.10 0.46 -0.48 3.15 4.15 -1.98 -0.06 115.11 121.45 2f22 h GLN 136 Ca 0.42 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.71 2f22 h GLN 136 Cb 0.20 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2f22 h GLN 136 CO -0.17 0.36 -0.03 -1.49 -1.93 0.00 0.00 178.83 175.58 2f22 h TRP 137 N 0.46 0.87 -0.03 3.99 4.06 -1.64 0.23 115.95 123.89 2f22 h TRP 137 Ca 0.12 -0.13 -0.11 0.00 2.06 0.00 0.00 58.89 60.83 2f22 h TRP 137 Cb 0.06 -0.24 0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2f22 h TRP 137 CO 0.00 0.82 -0.41 0.28 -3.56 0.00 0.00 178.44 175.57 2f22 h VAL 138 N 0.75 1.45 -0.18 1.49 2.07 -1.40 -2.45 116.25 117.99 2f22 h VAL 138 Ca 0.14 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 2f22 h VAL 138 Cb 0.49 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2f22 h VAL 138 CO 0.02 0.54 0.01 1.56 0.02 0.00 0.00 177.57 179.73 2f22 h GLN 139 N -0.20 0.30 0.02 1.57 4.20 -0.82 -2.05 115.11 118.13 2f22 h GLN 139 Ca -0.04 -0.09 -0.30 0.00 0.06 0.00 0.00 58.65 58.28 2f22 h GLN 139 Cb 1.10 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 2f22 h GLN 139 CO 0.08 0.50 -1.74 -0.25 -0.67 0.00 0.00 178.83 176.75 2f22 n ASP 140 N -4.74 1.02 0.00 1.46 9.92 0.78 -4.50 116.55 120.49 2f22 n ASP 140 Ca -0.05 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2f22 n ASP 140 Cb 0.21 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 2f22 n ASP 140 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2f22 n TRP 141 N -3.10 0.00 -0.18 1.24 7.02 -0.93 -5.07 117.44 116.43 2f22 n TRP 141 Ca -0.19 -0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 2f22 n TRP 141 Cb 1.05 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.92 2f22 n TRP 141 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39