#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s67 n ALA 17 N 0.00 1.86 0.27 5.20 0.00 -1.26 -4.08 120.51 122.51 1s67 n ALA 17 Ca 0.00 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 52.91 1s67 n ALA 17 Cb 0.00 -0.82 0.73 0.00 0.00 0.00 0.00 19.45 19.36 1s67 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s67 h ALA 18 N 1.34 1.05 0.00 0.00 0.00 -2.01 -2.53 119.26 117.10 1s67 h ALA 18 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1s67 h ALA 18 Cb 1.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1s67 h ALA 18 CO 0.05 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 178.93 1s67 h ASP 19 N 0.00 0.00 -0.21 0.00 3.32 -2.04 -3.46 116.42 114.03 1s67 h ASP 19 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s67 h ASP 19 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1s67 h ASP 19 CO 0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1s67 n GLY 20 N 0.67 0.83 0.00 2.75 0.00 -0.95 -5.07 105.19 103.42 1s67 n GLY 20 Ca 0.03 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.39 1s67 n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s67 n ILE 21 N 0.00 0.00 0.03 -0.61 -5.35 -1.26 -4.68 119.36 107.49 1s67 n ILE 21 Ca 0.00 -0.05 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 1s67 n ILE 21 Cb 0.00 0.44 -0.14 0.00 -1.74 0.00 0.00 39.64 38.20 1s67 n ILE 21 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1s67 h PHE 22 N 0.00 0.33 0.21 4.28 0.04 -1.98 -3.00 116.94 116.83 1s67 h PHE 22 Ca -0.00 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 1s67 h PHE 22 Cb 0.11 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1s67 h PHE 22 CO 0.00 1.36 -0.10 0.35 -0.60 0.00 0.00 178.31 179.32 1s67 h PHE 23 N 0.05 -0.26 0.00 -0.55 3.04 -1.87 -3.06 116.94 114.28 1s67 h PHE 23 Ca -0.28 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.67 1s67 h PHE 23 Cb 2.01 0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.60 1s67 h PHE 23 CO 0.05 -0.02 0.00 -1.00 -2.02 0.00 0.00 178.31 175.31 1s67 h PRO 24 N -0.47 0.00 -0.17 6.41 0.13 -1.82 -0.56 132.00 135.52 1s67 h PRO 24 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 1s67 h PRO 24 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1s67 h PRO 24 CO 0.05 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.47 1s67 h ALA 25 N 2.13 0.28 0.00 -0.56 0.00 -1.43 -2.56 119.26 117.11 1s67 h ALA 25 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1s67 h ALA 25 Cb 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1s67 h ALA 25 CO 0.00 0.33 -1.28 -0.07 0.00 0.00 0.00 179.25 178.23 1s67 h LEU 26 N 0.19 0.00 -0.21 0.00 3.38 -1.42 -3.11 115.31 114.13 1s67 h LEU 26 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1s67 h LEU 26 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1s67 h LEU 26 CO 0.08 0.97 -0.67 -0.08 0.09 0.00 0.00 178.44 178.83 1s67 h GLU 27 N 0.00 0.83 -0.66 1.13 4.57 -1.20 -3.18 114.58 116.07 1s67 h GLU 27 Ca -0.13 -0.61 -0.21 0.00 -1.18 0.00 0.00 59.36 57.23 1s67 h GLU 27 Cb 1.85 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 30.42 1s67 h GLU 27 CO 0.10 1.23 0.23 1.04 -1.18 0.00 0.00 179.01 180.44 1s67 n GLN 28 N -3.98 3.28 -2.74 1.92 6.02 -0.96 -4.30 117.38 116.62 1s67 n GLN 28 Ca -0.06 -3.07 -0.38 0.00 -0.01 0.00 0.00 57.00 53.48 1s67 n GLN 28 Cb 0.69 -2.12 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 1s67 n GLN 28 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1s67 s ASN 29 N -1.35 7.37 0.42 1.08 2.47 -1.17 -4.96 114.94 118.80 1s67 s ASN 29 Ca 0.53 1.90 0.14 0.00 0.42 0.00 0.00 52.86 55.84 1s67 s ASN 29 Cb 0.43 -2.59 0.92 0.00 -1.45 0.00 0.00 41.25 38.56 1s67 s ASN 29 CO 0.11 -0.04 1.94 0.00 -3.72 0.00 0.00 177.10 175.39 1s67 h MET 30 N 3.39 0.00 -6.53 0.43 -0.00 -1.91 -3.42 114.93 106.89 1s67 h MET 30 Ca -0.46 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 58.71 1s67 h MET 30 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.77 1s67 h MET 30 CO 0.66 0.24 0.19 -1.64 -0.00 0.00 0.00 176.91 176.36 1s67 s MET 31 N -4.47 4.59 0.84 -0.10 -1.94 -1.26 -4.87 119.30 112.09 1s67 s MET 31 Ca -0.03 1.18 -0.13 0.00 -1.71 0.00 0.00 55.69 55.00 1s67 s MET 31 Cb 0.15 -3.27 0.07 0.00 2.01 0.00 0.00 34.83 33.79 1s67 s MET 31 CO 0.70 0.55 0.94 0.41 -0.01 0.00 0.00 175.02 177.61 1s67 n GLY 32 N 1.64 -0.69 2.75 -0.03 0.00 -0.03 -4.73 105.19 104.10 1s67 n GLY 32 Ca -0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 1s67 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s67 s ALA 33 N -2.24 -0.34 -0.32 4.61 0.00 -1.26 -2.33 121.76 119.88 1s67 s ALA 33 Ca 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1s67 s ALA 33 Cb -0.27 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.38 1s67 s ALA 33 CO 0.56 -1.43 0.04 0.08 0.00 0.00 0.00 175.76 175.01 1s67 s VAL 34 N 2.34 2.93 -0.13 0.00 1.01 -1.17 -3.34 120.40 122.05 1s67 s VAL 34 Ca 0.08 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 1s67 s VAL 34 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1s67 s VAL 34 CO -0.22 -0.27 0.12 -0.22 0.00 0.00 0.00 175.10 174.52 1s67 s LEU 35 N 1.19 4.28 0.02 3.92 2.96 -1.12 -2.40 118.68 127.53 1s67 s LEU 35 Ca -0.01 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1s67 s LEU 35 Cb -0.20 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1s67 s LEU 35 CO -0.03 0.38 -0.19 0.27 -1.32 0.00 0.00 176.35 175.46 1s67 s ILE 36 N -0.84 1.51 0.15 6.68 -4.36 -0.99 -1.56 121.20 121.79 1s67 s ILE 36 Ca 0.14 -0.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.53 1s67 s ILE 36 Cb -0.12 -1.29 0.03 0.00 1.25 0.00 0.00 42.46 42.33 1s67 s ILE 36 CO 0.03 0.28 0.20 -0.46 0.24 0.00 0.00 174.94 175.24 1s67 n ASN 37 N 2.22 0.11 0.27 4.36 2.04 -0.91 -2.43 115.26 120.92 1s67 n ASN 37 Ca -0.16 -1.13 0.12 0.00 -0.44 0.00 0.00 54.58 52.97 1s67 n ASN 37 Cb 0.54 -0.15 0.76 0.00 -2.53 0.00 0.00 39.78 38.40 1s67 n ASN 37 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1s67 h GLU 38 N 0.00 0.00 -0.75 -3.83 4.11 -1.86 -2.31 114.58 109.93 1s67 h GLU 38 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1s67 h GLU 38 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1s67 h GLU 38 CO 0.06 0.08 0.00 0.09 0.07 0.00 0.00 179.01 179.30 1s67 n ASN 39 N -3.88 3.74 -2.21 3.06 5.03 -1.26 -4.91 115.26 114.84 1s67 n ASN 39 Ca -0.02 -2.53 -0.20 0.00 0.87 0.00 0.00 54.58 52.69 1s67 n ASN 39 Cb 0.17 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.30 1s67 n ASN 39 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1s67 n ASP 40 N 0.37 -5.67 -4.66 6.41 10.43 -0.87 -4.94 116.55 117.62 1s67 n ASP 40 Ca 0.16 0.12 -0.36 0.00 2.57 0.00 0.00 54.79 57.28 1s67 n ASP 40 Cb 0.80 -4.79 -0.09 0.00 1.84 0.00 0.00 41.12 38.87 1s67 n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1s67 s GLU 41 N -4.73 4.07 -0.42 -1.24 2.02 -1.26 -0.98 118.70 116.16 1s67 s GLU 41 Ca 0.00 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.43 1s67 s GLU 41 Cb 0.00 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1s67 s GLU 41 CO 0.00 0.14 1.75 0.08 0.02 0.00 0.00 175.26 177.24 1s67 s VAL 42 N 0.82 3.52 -1.50 2.63 1.01 -0.76 -2.14 120.40 123.97 1s67 s VAL 42 Ca 0.07 0.48 0.24 0.00 0.00 0.00 0.00 61.98 62.77 1s67 s VAL 42 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1s67 s VAL 42 CO 0.02 -0.61 1.22 1.15 0.00 0.00 0.00 175.10 176.88 1s67 n MET 43 N 8.58 0.58 -3.81 2.72 0.00 -0.60 -2.26 117.12 122.32 1s67 n MET 43 Ca 0.21 -0.43 -0.13 0.00 0.00 0.00 0.00 57.70 57.36 1s67 n MET 43 Cb 0.48 -1.49 -0.13 0.00 0.00 0.00 0.00 33.22 32.09 1s67 n MET 43 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1s67 s PHE 44 N -2.72 -0.18 -0.44 3.17 5.36 -1.18 -4.98 117.98 117.02 1s67 s PHE 44 Ca 0.16 0.44 0.06 0.00 -0.96 0.00 0.00 56.93 56.62 1s67 s PHE 44 Cb 0.18 0.05 0.19 0.00 -0.34 0.00 0.00 43.02 43.09 1s67 s PHE 44 CO 0.66 -0.09 0.71 0.12 -1.46 0.00 0.00 175.22 175.16 1s67 s PHE 45 N 0.17 -1.55 0.91 10.12 5.36 -1.24 -2.77 117.98 128.98 1s67 s PHE 45 Ca -0.01 -0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 55.81 1s67 s PHE 45 Cb -0.02 0.29 0.14 0.00 -0.34 0.00 0.00 43.02 43.09 1s67 s PHE 45 CO -0.00 -1.11 1.10 0.54 -1.46 0.00 0.00 175.22 174.29 1s67 s ASN 46 N 1.51 3.40 0.62 6.13 6.03 -1.21 -4.74 114.94 126.68 1s67 s ASN 46 Ca 0.21 1.24 0.35 0.00 -1.03 0.00 0.00 52.86 53.62 1s67 s ASN 46 Cb -0.02 -1.90 2.04 0.00 -3.03 0.00 0.00 41.25 38.34 1s67 s ASN 46 CO -0.07 -2.65 2.29 -0.65 -2.03 0.00 0.00 177.10 173.99 1s67 h PRO 47 N -1.56 0.00 -0.28 3.55 0.11 -1.93 -2.02 132.00 129.87 1s67 h PRO 47 Ca -0.51 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1s67 h PRO 47 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1s67 h PRO 47 CO 0.58 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 178.03 1s67 h ALA 48 N 1.99 0.88 0.00 -0.75 0.00 -1.84 -2.79 119.26 116.74 1s67 h ALA 48 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1s67 h ALA 48 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1s67 h ALA 48 CO -0.00 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 1s67 h ALA 49 N 1.10 0.97 -0.06 0.00 0.00 -1.66 -3.04 119.26 116.57 1s67 h ALA 49 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1s67 h ALA 49 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1s67 h ALA 49 CO 0.07 0.10 -0.42 0.93 0.00 0.00 0.00 179.25 179.93 1s67 h GLU 50 N 0.00 0.13 0.03 0.00 5.08 -1.21 -2.59 114.58 116.02 1s67 h GLU 50 Ca -0.00 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.03 1s67 h GLU 50 Cb 0.86 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1s67 h GLU 50 CO 0.01 0.53 -1.39 0.87 -1.00 0.00 0.00 179.01 178.03 1s67 h LYS 51 N 0.11 0.07 -0.22 2.33 6.56 -1.50 -1.88 116.57 122.05 1s67 h LYS 51 Ca 0.01 -0.12 -0.12 0.00 -1.06 0.00 0.00 60.65 59.35 1s67 h LYS 51 Cb 0.79 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1s67 h LYS 51 CO 0.06 0.87 -0.35 -0.07 -2.06 0.00 0.00 179.45 177.90 1s67 h LEU 52 N 0.02 0.69 0.00 2.94 3.38 -1.53 -3.33 115.31 117.47 1s67 h LEU 52 Ca -0.17 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1s67 h LEU 52 Cb 1.92 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1s67 h LEU 52 CO 0.12 1.08 -1.46 0.79 0.09 0.00 0.00 178.44 179.06 1s67 n TRP 53 N -4.27 0.42 -1.15 1.13 8.01 -0.98 -4.76 117.44 115.84 1s67 n TRP 53 Ca -0.05 0.12 -0.05 0.00 -1.31 0.00 0.00 57.50 56.21 1s67 n TRP 53 Cb 0.50 -0.66 -0.02 0.00 -2.01 0.00 0.00 31.31 29.12 1s67 n TRP 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s67 n GLY 54 N 1.25 0.76 3.76 6.99 0.00 -0.71 -1.74 105.19 115.50 1s67 n GLY 54 Ca -0.01 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1s67 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s67 s TYR 55 N -2.11 3.26 0.73 1.61 4.12 -1.16 -4.73 117.35 119.07 1s67 s TYR 55 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 57.07 57.19 1s67 s TYR 55 Cb 0.00 -1.75 0.03 0.00 -1.52 0.00 0.00 41.96 38.72 1s67 s TYR 55 CO 0.00 0.54 1.11 0.15 0.02 0.00 0.00 175.55 177.37 1s67 s LYS 56 N -1.53 2.67 0.39 -0.62 3.01 -1.26 -4.31 119.74 118.10 1s67 s LYS 56 Ca 0.20 0.44 0.12 0.00 -1.01 0.00 0.00 55.97 55.73 1s67 s LYS 56 Cb -0.12 -2.00 0.80 0.00 -1.01 0.00 0.00 37.83 35.50 1s67 s LYS 56 CO 0.11 -1.16 1.89 -0.09 0.51 0.00 0.00 175.35 176.60 1s67 h ARG 57 N -0.75 0.07 0.00 1.68 2.43 -1.95 -2.88 114.38 112.98 1s67 h ARG 57 Ca -0.45 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.61 1s67 h ARG 57 Cb 1.26 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1s67 h ARG 57 CO 0.64 0.33 -0.43 0.93 -1.51 0.00 0.00 179.97 179.93 1s67 h GLU 58 N 0.06 0.00 0.00 0.20 3.07 -1.94 -2.72 114.58 113.25 1s67 h GLU 58 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1s67 h GLU 58 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1s67 h GLU 58 CO 0.04 0.43 0.00 0.93 -1.40 0.00 0.00 179.01 179.01 1s67 h GLU 59 N 0.00 0.00 0.00 2.33 5.08 -1.90 -3.38 114.58 116.72 1s67 h GLU 59 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1s67 h GLU 59 Cb 0.87 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1s67 h GLU 59 CO 0.06 0.00 -1.80 0.28 -1.00 0.00 0.00 179.01 176.54 1s67 n VAL 60 N -2.61 0.81 -2.44 3.13 0.31 -1.15 -4.87 118.33 111.51 1s67 n VAL 60 Ca 0.05 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 1s67 n VAL 60 Cb 0.47 -0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 32.56 1s67 n VAL 60 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s67 s ILE 61 N -2.28 4.07 0.00 2.52 -1.09 -1.04 -2.77 121.20 120.61 1s67 s ILE 61 Ca -0.10 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1s67 s ILE 61 Cb 0.04 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1s67 s ILE 61 CO 0.43 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1s67 n GLY 62 N 3.19 3.40 3.95 6.18 0.00 -0.96 -4.99 105.19 115.96 1s67 n GLY 62 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1s67 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s67 s ASN 63 N -0.97 5.83 0.85 1.61 0.01 -1.11 -4.78 114.94 116.36 1s67 s ASN 63 Ca 0.00 0.33 -0.11 0.00 -0.71 0.00 0.00 52.86 52.37 1s67 s ASN 63 Cb 0.00 -1.56 0.10 0.00 0.41 0.00 0.00 41.25 40.20 1s67 s ASN 63 CO 0.00 -0.72 1.09 0.21 -1.51 0.00 0.00 177.10 176.17 1s67 s ASN 64 N -4.22 3.88 0.45 -1.22 2.47 -1.26 -1.83 114.94 113.22 1s67 s ASN 64 Ca 0.49 1.66 0.24 0.00 0.42 0.00 0.00 52.86 55.66 1s67 s ASN 64 Cb -0.10 -2.34 1.04 0.00 -1.45 0.00 0.00 41.25 38.41 1s67 s ASN 64 CO 0.39 -2.41 1.89 -0.29 -3.72 0.00 0.00 177.10 172.96 1s67 h ILE 65 N -1.39 0.62 0.00 -5.21 6.09 -1.42 -3.23 117.51 112.97 1s67 h ILE 65 Ca -0.47 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.02 1s67 h ILE 65 Cb 1.26 1.66 0.00 0.00 0.47 0.00 0.00 36.82 40.21 1s67 h ILE 65 CO 0.53 0.21 0.00 0.47 -3.07 0.00 0.00 178.15 176.29 1s67 n ASP 66 N -3.50 0.68 0.10 2.19 8.00 -1.26 -2.17 116.55 120.60 1s67 n ASP 66 Ca -0.01 0.70 -0.03 0.00 0.71 0.00 0.00 54.79 56.16 1s67 n ASP 66 Cb 0.38 -0.83 0.19 0.00 -0.02 0.00 0.00 41.12 40.84 1s67 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s67 h MET 67 N 0.00 0.18 -0.00 -1.24 -0.00 -1.95 -3.02 114.93 108.90 1s67 h MET 67 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1s67 h MET 67 Cb 0.29 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1s67 h MET 67 CO 0.00 0.65 -0.24 1.28 -0.00 0.00 0.00 176.91 178.60 1s67 n LEU 68 N -3.94 0.35 -4.80 -0.10 4.77 -0.92 -4.84 117.00 107.52 1s67 n LEU 68 Ca -0.02 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 1s67 n LEU 68 Cb 0.54 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1s67 n LEU 68 CO 0.42 0.08 0.44 -0.63 -1.33 0.00 0.00 177.39 176.37 1s67 s ILE 69 N -2.87 4.50 0.72 -0.08 -1.09 -1.14 -4.74 121.20 116.50 1s67 s ILE 69 Ca 0.16 1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 59.88 1s67 s ILE 69 Cb 0.19 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1s67 s ILE 69 CO 0.59 0.36 1.01 -2.65 -1.23 0.00 0.00 174.94 173.01 1s67 n PRO 70 N 1.14 0.55 0.09 2.79 -0.02 -1.26 -4.86 135.00 133.43 1s67 n PRO 70 Ca -0.04 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.67 1s67 n PRO 70 Cb 0.50 -2.26 0.24 0.00 -0.02 0.00 0.00 33.50 31.96 1s67 n PRO 70 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1s67 h ARG 71 N -0.20 0.26 0.00 -0.52 0.11 -1.96 -2.10 114.38 109.97 1s67 h ARG 71 Ca -0.48 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.49 1s67 h ARG 71 Cb 1.33 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1s67 h ARG 71 CO 0.47 0.60 0.00 0.38 0.10 0.00 0.00 179.97 181.53 1s67 h ASP 72 N 0.22 0.00 -0.22 0.08 -0.00 -2.02 -3.16 116.42 111.32 1s67 h ASP 72 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 1s67 h ASP 72 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 1s67 h ASP 72 CO 0.06 0.00 0.00 -0.11 -0.00 0.00 0.00 179.24 179.19 1s67 n LEU 73 N -2.83 2.79 -0.11 0.15 0.00 -1.00 -4.61 117.00 111.39 1s67 n LEU 73 Ca 0.03 -1.40 -0.10 0.00 0.00 0.00 0.00 56.01 54.54 1s67 n LEU 73 Cb 0.39 -0.14 0.05 0.00 0.00 0.00 0.00 43.42 43.72 1s67 n LEU 73 CO 0.29 0.59 0.66 0.03 0.00 0.00 0.00 177.39 178.96 1s67 h ARG 74 N 3.18 0.85 -0.18 1.96 3.08 -1.36 -2.71 114.38 119.20 1s67 h ARG 74 Ca 0.00 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.73 1s67 h ARG 74 Cb 0.76 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1s67 h ARG 74 CO 0.00 1.01 0.14 -1.35 -1.07 0.00 0.00 179.97 178.71 1s67 h PRO 75 N 0.73 0.00 0.00 0.04 0.11 -1.82 -3.25 132.00 127.82 1s67 h PRO 75 Ca 0.09 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1s67 h PRO 75 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1s67 h PRO 75 CO 0.07 0.00 -1.95 0.00 -0.21 0.00 0.00 178.00 175.91 1s67 n ALA 76 N -2.49 2.43 0.01 -0.75 0.00 -1.17 -4.71 120.51 113.82 1s67 n ALA 76 Ca 0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1s67 n ALA 76 Cb 0.28 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 1s67 n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s67 h HIS 77 N 0.00 0.86 -0.12 0.00 6.17 -1.51 -3.01 115.15 117.54 1s67 h HIS 77 Ca -0.11 -0.37 0.04 0.00 0.71 0.00 0.00 60.37 60.63 1s67 h HIS 77 Cb 1.16 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.95 1s67 h HIS 77 CO 0.00 1.17 0.11 -1.35 0.71 0.00 0.00 177.93 178.57 1s67 h PRO 78 N 0.44 0.00 0.00 5.26 0.11 -1.84 -2.26 132.00 133.70 1s67 h PRO 78 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1s67 h PRO 78 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1s67 h PRO 78 CO 0.14 0.00 -0.61 0.93 -0.21 0.00 0.00 178.00 178.25 1s67 h GLU 79 N 0.00 0.00 -0.23 1.05 5.08 -1.83 -2.80 114.58 115.85 1s67 h GLU 79 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1s67 h GLU 79 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1s67 h GLU 79 CO -0.00 0.11 -0.33 1.88 -1.00 0.00 0.00 179.01 179.67 1s67 h TYR 80 N 0.00 0.77 -0.31 4.33 0.05 -1.29 -2.86 116.97 117.67 1s67 h TYR 80 Ca -0.02 -0.26 -0.17 0.00 0.05 0.00 0.00 58.73 58.33 1s67 h TYR 80 Cb 1.13 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 1s67 h TYR 80 CO 0.00 1.00 -0.48 0.82 -1.05 0.00 0.00 178.16 178.45 1s67 h ILE 81 N 0.33 1.28 -0.46 -2.88 2.04 -1.57 -3.08 117.51 113.17 1s67 h ILE 81 Ca 0.02 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1s67 h ILE 81 Cb 0.92 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1s67 h ILE 81 CO 0.08 0.54 0.04 -0.09 0.00 0.00 0.00 178.15 178.72 1s67 h ARG 82 N 0.65 0.73 -0.39 2.37 2.43 -1.58 -2.66 114.38 115.92 1s67 h ARG 82 Ca 0.03 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 1s67 h ARG 82 Cb 1.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1s67 h ARG 82 CO 0.11 0.71 -0.33 1.25 -1.51 0.00 0.00 179.97 180.20 1s67 h HIS 83 N 0.69 1.04 0.00 2.20 2.76 -1.51 -2.79 115.15 117.54 1s67 h HIS 83 Ca 0.15 -0.29 -0.10 0.00 -2.20 0.00 0.00 60.37 57.93 1s67 h HIS 83 Cb 0.36 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1s67 h HIS 83 CO 0.02 1.09 -0.49 -0.97 -1.30 0.00 0.00 177.93 176.28 1s67 h ASN 84 N 0.74 0.00 -0.02 3.26 -1.24 -1.43 -1.91 115.58 114.98 1s67 h ASN 84 Ca 0.07 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.87 1s67 h ASN 84 Cb 0.90 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.96 1s67 h ASN 84 CO 0.08 0.49 -0.78 0.03 -1.29 0.00 0.00 177.43 175.96 1s67 h ARG 85 N 0.00 0.68 0.00 6.67 3.08 -1.42 -3.18 114.38 120.20 1s67 h ARG 85 Ca -0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1s67 h ARG 85 Cb 0.93 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1s67 h ARG 85 CO 0.06 1.18 0.00 0.93 -1.07 0.00 0.00 179.97 181.07 1s67 h GLU 86 N 0.46 0.00 0.12 0.04 4.39 -1.43 -3.36 114.58 114.79 1s67 h GLU 86 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1s67 h GLU 86 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1s67 h GLU 86 CO 0.15 0.00 -0.06 0.78 -1.16 0.00 0.00 179.01 178.73 1s67 h GLY 87 N 4.29 -0.16 0.00 -3.84 0.00 -1.32 -3.48 103.07 98.56 1s67 h GLY 87 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1s67 h GLY 87 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1s67 n GLY 88 N 0.62 2.27 2.36 4.60 0.00 -1.24 -4.83 105.19 108.98 1s67 n GLY 88 Ca -0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1s67 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s67 n LYS 89 N 0.00 -1.61 -2.61 1.61 5.02 -1.26 -2.48 118.16 116.83 1s67 n LYS 89 Ca 0.00 0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 56.89 1s67 n LYS 89 Cb 0.00 -5.17 -0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1s67 n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s67 n ALA 90 N -1.96 -0.80 -1.66 7.82 0.00 -1.26 -4.37 120.51 118.29 1s67 n ALA 90 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1s67 n ALA 90 Cb 0.64 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1s67 n ALA 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s67 n ARG 91 N -3.10 -4.20 -2.78 0.00 0.63 -1.04 -5.06 116.66 101.11 1s67 n ARG 91 Ca -0.15 3.09 -0.09 0.00 -0.92 0.00 0.00 57.85 59.78 1s67 n ARG 91 Cb 0.62 -3.20 0.05 0.00 0.45 0.00 0.00 32.46 30.38 1s67 n ARG 91 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1s67 n VAL 92 N 1.36 -0.04 0.00 5.15 3.14 -1.26 -5.09 118.33 121.58 1s67 n VAL 92 Ca 0.00 -1.67 0.00 0.00 -2.96 0.00 0.00 64.34 59.71 1s67 n VAL 92 Cb 0.00 1.29 0.00 0.00 -1.06 0.00 0.00 33.84 34.07 1s67 n VAL 92 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1s67 n GLU 93 N 1.43 0.00 0.00 1.45 4.71 -1.26 -4.82 120.64 122.15 1s67 n GLU 93 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1s67 n GLU 93 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.07 1s67 n GLU 93 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s67 n GLY 94 N 0.00 -1.28 3.65 0.62 0.00 -1.26 -3.61 105.19 103.31 1s67 n GLY 94 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 1s67 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s67 s MET 95 N 0.00 1.00 -0.07 1.61 0.23 -1.25 -5.07 119.30 115.75 1s67 s MET 95 Ca 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 55.69 54.18 1s67 s MET 95 Cb 0.00 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1s67 s MET 95 CO 0.00 -0.45 -0.08 0.45 -2.03 0.00 0.00 175.02 172.91 1s67 s SER 96 N -2.76 1.65 0.29 -1.18 0.15 -1.26 -2.06 113.70 108.54 1s67 s SER 96 Ca 0.09 -0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.33 1s67 s SER 96 Cb -0.01 -0.69 0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1s67 s SER 96 CO -0.03 -0.06 0.69 0.00 1.20 0.00 0.00 173.24 175.05 1s67 s ARG 97 N 1.15 1.83 -0.23 5.44 3.03 -1.12 -5.03 118.95 124.02 1s67 s ARG 97 Ca -0.06 -1.12 -0.17 0.00 2.03 0.00 0.00 55.73 56.40 1s67 s ARG 97 Cb -0.14 0.59 -0.03 0.00 -1.03 0.00 0.00 34.95 34.33 1s67 s ARG 97 CO -0.02 -0.83 0.47 -1.21 -1.13 0.00 0.00 175.30 172.58 1s67 s GLU 98 N -3.65 4.12 0.04 3.89 2.02 -1.26 -1.66 118.70 122.20 1s67 s GLU 98 Ca 0.14 0.28 0.07 0.00 0.02 0.00 0.00 54.97 55.49 1s67 s GLU 98 Cb -0.05 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1s67 s GLU 98 CO 0.08 -0.21 -0.21 -0.51 0.02 0.00 0.00 175.26 174.44 1s67 s LEU 99 N 1.84 2.15 -0.64 1.80 1.43 -1.21 -4.93 118.68 119.13 1s67 s LEU 99 Ca 0.21 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1s67 s LEU 99 Cb -0.15 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1s67 s LEU 99 CO 0.09 0.17 1.21 -1.58 0.23 0.00 0.00 176.35 176.48 1s67 s GLN 100 N -1.09 3.39 0.12 1.70 0.74 -1.26 -2.25 119.66 121.01 1s67 s GLN 100 Ca 0.08 0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.23 1s67 s GLN 100 Cb -0.09 -4.08 -0.06 0.00 1.10 0.00 0.00 33.01 29.88 1s67 s GLN 100 CO 0.01 -1.84 0.98 -1.17 -0.55 0.00 0.00 175.29 172.73 1s67 s LEU 101 N 5.18 4.50 -0.21 3.68 0.20 -0.63 -4.79 118.68 126.60 1s67 s LEU 101 Ca 0.39 1.84 -0.06 0.00 0.69 0.00 0.00 54.13 56.99 1s67 s LEU 101 Cb -0.08 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 1s67 s LEU 101 CO 0.21 -0.08 0.04 -0.70 -0.29 0.00 0.00 176.35 175.53 1s67 s GLU 102 N -0.09 3.72 0.79 1.98 2.12 -1.26 -2.48 118.70 123.48 1s67 s GLU 102 Ca 0.47 -0.46 -0.13 0.00 0.36 0.00 0.00 54.97 55.21 1s67 s GLU 102 Cb -0.24 -3.21 0.18 0.00 0.26 0.00 0.00 34.13 31.12 1s67 s GLU 102 CO 0.31 0.00 1.07 1.63 -0.54 0.00 0.00 175.26 177.73 1s67 n LYS 103 N 4.33 -1.03 -0.07 4.30 5.02 -0.92 -4.80 118.16 124.98 1s67 n LYS 103 Ca -0.17 -1.66 -0.13 0.00 -2.02 0.00 0.00 58.31 54.33 1s67 n LYS 103 Cb 0.52 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 1s67 n LYS 103 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1s67 h LYS 104 N 0.00 0.48 0.00 1.97 3.64 -1.63 -3.22 116.57 117.82 1s67 h LYS 104 Ca -0.35 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1s67 h LYS 104 Cb 0.95 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1s67 h LYS 104 CO 0.25 0.82 0.00 -0.40 -2.27 0.00 0.00 179.45 177.84 1s67 n ASP 105 N -4.46 0.30 0.00 4.20 3.85 -1.26 -4.89 116.55 114.29 1s67 n ASP 105 Ca -0.05 0.56 0.00 0.00 -0.71 0.00 0.00 54.79 54.59 1s67 n ASP 105 Cb 0.39 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1s67 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s67 n GLY 106 N 0.29 2.21 3.75 6.12 0.00 -1.22 -5.09 105.19 111.25 1s67 n GLY 106 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1s67 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s67 s SER 107 N -1.63 4.59 -0.06 1.61 1.04 -1.26 -4.76 113.70 113.22 1s67 s SER 107 Ca 0.00 2.03 0.03 0.00 0.48 0.00 0.00 55.95 58.49 1s67 s SER 107 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1s67 s SER 107 CO 0.00 -1.98 -0.15 -0.54 0.98 0.00 0.00 173.24 171.54 1s67 s LYS 108 N -4.34 1.89 0.11 4.02 1.02 -1.26 -2.16 119.74 119.02 1s67 s LYS 108 Ca 0.66 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 56.21 1s67 s LYS 108 Cb -0.21 -1.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1s67 s LYS 108 CO 0.48 0.12 -0.23 0.96 -0.92 0.00 0.00 175.35 175.76 1s67 s ILE 109 N 0.39 1.89 0.13 2.17 -4.36 -1.04 -5.02 121.20 115.37 1s67 s ILE 109 Ca -0.11 -1.63 -0.15 0.00 -0.26 0.00 0.00 60.65 58.50 1s67 s ILE 109 Cb -0.14 -1.71 -0.07 0.00 1.25 0.00 0.00 42.46 41.79 1s67 s ILE 109 CO 0.04 -0.02 0.55 0.26 0.24 0.00 0.00 174.94 176.01 1s67 s TRP 110 N -1.16 3.63 0.04 1.37 0.52 -1.26 -1.61 118.94 120.46 1s67 s TRP 110 Ca 0.09 1.09 0.01 0.00 0.02 0.00 0.00 56.10 57.31 1s67 s TRP 110 Cb -0.10 -2.39 -0.00 0.00 -1.15 0.00 0.00 33.47 29.83 1s67 s TRP 110 CO 0.05 0.45 0.02 0.25 0.02 0.00 0.00 176.95 177.74 1s67 n THR 111 N 0.94 0.00 -3.53 2.01 -2.24 -0.95 -2.05 114.28 108.45 1s67 n THR 111 Ca -0.06 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1s67 n THR 111 Cb 0.52 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.71 1s67 n THR 111 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s67 s ARG 112 N -2.14 0.38 0.57 -0.78 6.06 -0.52 -3.28 118.95 119.23 1s67 s ARG 112 Ca 0.03 -0.87 -0.14 0.00 -2.50 0.00 0.00 55.73 52.25 1s67 s ARG 112 Cb 0.00 -1.30 -0.06 0.00 0.06 0.00 0.00 34.95 33.65 1s67 s ARG 112 CO 0.02 -1.08 1.01 -0.06 -2.50 0.00 0.00 175.30 172.69 1s67 s PHE 113 N 1.68 3.49 -0.42 5.12 0.08 -0.67 -2.88 117.98 124.39 1s67 s PHE 113 Ca 0.12 1.40 0.07 0.00 0.12 0.00 0.00 56.93 58.64 1s67 s PHE 113 Cb -0.19 -2.78 0.22 0.00 -0.57 0.00 0.00 43.02 39.71 1s67 s PHE 113 CO -0.23 -0.55 0.54 0.00 -0.10 0.00 0.00 175.22 174.88 1s67 n ALA 114 N -2.11 1.68 -1.77 5.36 0.00 -0.38 -2.81 120.51 120.49 1s67 n ALA 114 Ca 0.06 -2.87 -0.40 0.00 0.00 0.00 0.00 53.44 50.23 1s67 n ALA 114 Cb 0.54 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 1s67 n ALA 114 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s67 s LEU 115 N -0.66 4.32 0.07 0.00 2.96 -0.88 -3.28 118.68 121.23 1s67 s LEU 115 Ca 0.34 2.63 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 1s67 s LEU 115 Cb 0.13 -3.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1s67 s LEU 115 CO -0.15 -0.67 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.72 1s67 s SER 116 N -0.66 0.90 -0.17 3.68 0.01 -0.80 -3.77 113.70 112.90 1s67 s SER 116 Ca 0.53 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1s67 s SER 116 Cb -0.38 0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1s67 s SER 116 CO 0.50 -0.44 -0.21 -0.75 0.41 0.00 0.00 173.24 172.76 1s67 s LYS 117 N -3.30 2.98 -0.29 12.44 2.20 -1.24 -2.38 119.74 130.15 1s67 s LYS 117 Ca 0.05 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1s67 s LYS 117 Cb 0.02 -2.51 0.09 0.00 -1.51 0.00 0.00 37.83 33.92 1s67 s LYS 117 CO -0.05 -0.14 0.03 0.54 -0.36 0.00 0.00 175.35 175.37 1s67 s VAL 118 N 1.13 1.58 -0.12 4.02 0.11 -1.15 -4.51 120.40 121.46 1s67 s VAL 118 Ca 0.01 -1.65 -0.29 0.00 -2.93 0.00 0.00 61.98 57.11 1s67 s VAL 118 Cb -0.14 -2.05 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1s67 s VAL 118 CO -0.09 -0.44 1.03 -0.44 -3.33 0.00 0.00 175.10 171.82 1s67 s SER 119 N 1.30 7.21 -0.15 3.54 0.01 -1.26 -2.66 113.70 121.68 1s67 s SER 119 Ca 0.05 1.53 -0.06 0.00 1.31 0.00 0.00 55.95 58.77 1s67 s SER 119 Cb -0.18 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.56 1s67 s SER 119 CO -0.13 -0.49 0.33 0.00 0.41 0.00 0.00 173.24 173.36 1s67 s ALA 120 N 2.21 -0.81 -1.19 1.44 0.00 -1.11 -4.89 121.76 117.41 1s67 s ALA 120 Ca 0.48 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1s67 s ALA 120 Cb -0.18 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s67 s ALA 120 CO 0.16 -0.54 0.00 0.39 0.00 0.00 0.00 175.76 175.77 1s67 n GLU 121 N 5.01 -1.04 -0.99 0.00 1.02 -1.26 -2.79 120.64 120.58 1s67 n GLU 121 Ca -0.13 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1s67 n GLU 121 Cb 0.51 -4.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 1s67 n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s67 n GLY 122 N -1.07 0.55 3.87 0.62 0.00 -1.26 -5.03 105.19 102.87 1s67 n GLY 122 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1s67 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s67 s LYS 123 N -0.20 2.36 -0.06 1.61 1.02 -1.12 -5.14 119.74 118.21 1s67 s LYS 123 Ca 0.00 -1.78 0.05 0.00 0.02 0.00 0.00 55.97 54.26 1s67 s LYS 123 Cb 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1s67 s LYS 123 CO 0.00 -0.36 -0.23 0.08 -0.92 0.00 0.00 175.35 173.91 1s67 s VAL 124 N -2.62 2.22 0.44 3.17 1.01 -1.26 -2.73 120.40 120.63 1s67 s VAL 124 Ca 0.42 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1s67 s VAL 124 Cb -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1s67 s VAL 124 CO 0.25 0.57 0.10 -0.31 0.00 0.00 0.00 175.10 175.71 1s67 s TYR 125 N -0.16 1.80 -0.16 5.22 1.51 -1.09 -2.69 117.35 121.77 1s67 s TYR 125 Ca -0.03 -1.23 -0.06 0.00 -1.01 0.00 0.00 57.07 54.74 1s67 s TYR 125 Cb -0.14 -1.26 0.08 0.00 -0.11 0.00 0.00 41.96 40.53 1s67 s TYR 125 CO 0.04 -0.19 0.35 0.71 -1.11 0.00 0.00 175.55 175.34 1s67 s TYR 126 N -3.12 -0.61 -0.33 2.71 1.51 -1.02 -2.96 117.35 113.54 1s67 s TYR 126 Ca 0.18 1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 57.44 1s67 s TYR 126 Cb 0.02 0.15 0.03 0.00 -0.11 0.00 0.00 41.96 42.05 1s67 s TYR 126 CO 0.12 -0.41 0.09 -1.17 -1.11 0.00 0.00 175.55 173.06 1s67 s LEU 127 N 2.40 4.18 -0.40 -1.29 2.96 -1.00 -2.33 118.68 123.19 1s67 s LEU 127 Ca -0.01 -1.07 -0.16 0.00 -0.22 0.00 0.00 54.13 52.67 1s67 s LEU 127 Cb -0.12 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1s67 s LEU 127 CO -0.11 -0.29 0.38 0.00 -1.32 0.00 0.00 176.35 175.01 1s67 s ALA 128 N 1.41 3.46 -0.31 5.97 0.00 -1.01 -1.90 121.76 129.37 1s67 s ALA 128 Ca -0.01 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1s67 s ALA 128 Cb -0.19 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1s67 s ALA 128 CO 0.02 -1.42 0.57 -0.51 0.00 0.00 0.00 175.76 174.42 1s67 s LEU 129 N 1.98 4.18 0.07 0.00 1.43 -1.20 -3.02 118.68 122.12 1s67 s LEU 129 Ca 0.10 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1s67 s LEU 129 Cb -0.17 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1s67 s LEU 129 CO 0.12 -0.44 -0.19 -0.69 0.23 0.00 0.00 176.35 175.38 1s67 s VAL 130 N 2.48 2.75 0.17 -1.59 1.01 -0.98 -1.24 120.40 122.99 1s67 s VAL 130 Ca 0.22 -1.35 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1s67 s VAL 130 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1s67 s VAL 130 CO 0.12 0.24 0.28 0.00 0.00 0.00 0.00 175.10 175.74 1s67 s ARG 131 N -1.73 1.19 0.01 2.72 1.70 -1.14 -0.85 118.95 120.85 1s67 s ARG 131 Ca 0.16 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.90 1s67 s ARG 131 Cb -0.10 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1s67 s ARG 131 CO 0.07 -0.43 1.12 0.34 -1.08 0.00 0.00 175.30 175.31 1s67 s ASP 132 N -2.99 7.18 -0.35 -2.89 -1.08 -1.26 -1.44 116.67 113.84 1s67 s ASP 132 Ca 0.19 1.84 0.10 0.00 -0.52 0.00 0.00 52.55 54.17 1s67 s ASP 132 Cb 0.03 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 1s67 s ASP 132 CO 0.02 -0.42 1.10 0.00 0.52 0.00 0.00 175.17 176.39 1s67 n ALA 133 N 4.19 4.45 0.55 3.66 0.00 -0.87 -4.83 120.51 127.66 1s67 n ALA 133 Ca 0.08 -3.77 0.07 0.00 0.00 0.00 0.00 53.44 49.82 1s67 n ALA 133 Cb 0.48 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.39 1s67 n ALA 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37