#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s66 n ALA 17 N 0.00 1.45 0.29 5.20 0.00 -1.26 -4.34 120.51 121.85 1s66 n ALA 17 Ca 0.00 -1.16 0.17 0.00 0.00 0.00 0.00 53.44 52.45 1s66 n ALA 17 Cb 0.00 -0.29 0.69 0.00 0.00 0.00 0.00 19.45 19.86 1s66 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s66 h ALA 18 N 0.72 1.00 -0.01 0.00 0.00 -2.02 -2.73 119.26 116.22 1s66 h ALA 18 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s66 h ALA 18 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1s66 h ALA 18 CO 0.01 0.00 -0.03 -0.25 0.00 0.00 0.00 179.25 178.99 1s66 n ASP 19 N -3.05 0.63 -0.31 0.00 8.00 -1.26 -4.83 116.55 115.73 1s66 n ASP 19 Ca 0.01 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1s66 n ASP 19 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1s66 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s66 n GLY 20 N 1.13 1.77 0.00 0.44 0.00 -1.03 -5.06 105.19 102.44 1s66 n GLY 20 Ca 0.20 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1s66 n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s66 n ILE 21 N 0.00 0.00 0.02 -0.61 -5.35 -1.26 -4.71 119.36 107.45 1s66 n ILE 21 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1s66 n ILE 21 Cb 0.00 0.47 -0.14 0.00 -1.74 0.00 0.00 39.64 38.23 1s66 n ILE 21 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1s66 h PHE 22 N 0.00 0.24 0.21 4.28 0.04 -1.98 -3.05 116.94 116.67 1s66 h PHE 22 Ca 0.00 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 1s66 h PHE 22 Cb 0.01 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1s66 h PHE 22 CO 0.00 1.28 -0.10 0.35 -0.60 0.00 0.00 178.31 179.24 1s66 h PHE 23 N 0.04 -0.26 0.00 -0.55 3.04 -1.88 -3.09 116.94 114.24 1s66 h PHE 23 Ca -0.28 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1s66 h PHE 23 Cb 2.00 0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.59 1s66 h PHE 23 CO 0.04 0.00 0.00 -1.00 -2.02 0.00 0.00 178.31 175.33 1s66 h PRO 24 N -0.50 0.00 -0.15 6.41 0.13 -1.83 -0.96 132.00 135.11 1s66 h PRO 24 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1s66 h PRO 24 Cb 0.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 1s66 h PRO 24 CO 0.05 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 177.63 1s66 h ALA 25 N 2.11 0.22 0.00 -0.56 0.00 -1.45 -2.61 119.26 116.97 1s66 h ALA 25 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1s66 h ALA 25 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1s66 h ALA 25 CO 0.00 0.15 -1.12 -0.07 0.00 0.00 0.00 179.25 178.21 1s66 h LEU 26 N 0.01 0.00 -0.20 0.00 3.38 -1.46 -3.11 115.31 113.93 1s66 h LEU 26 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1s66 h LEU 26 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1s66 h LEU 26 CO 0.05 0.89 -0.73 -0.08 0.09 0.00 0.00 178.44 178.65 1s66 h GLU 27 N 0.00 0.81 -0.66 1.13 4.57 -1.28 -3.20 114.58 115.95 1s66 h GLU 27 Ca -0.08 -0.63 -0.24 0.00 -1.18 0.00 0.00 59.36 57.23 1s66 h GLU 27 Cb 1.75 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 30.32 1s66 h GLU 27 CO 0.10 1.24 0.25 1.04 -1.18 0.00 0.00 179.01 180.46 1s66 n GLN 28 N -3.95 3.05 -2.76 1.92 6.02 -0.98 -4.33 117.38 116.35 1s66 n GLN 28 Ca -0.07 -3.07 -0.37 0.00 -0.01 0.00 0.00 57.00 53.49 1s66 n GLN 28 Cb 0.72 -2.10 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 1s66 n GLN 28 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1s66 s ASN 29 N -1.45 7.25 0.43 1.08 2.47 -1.18 -4.96 114.94 118.59 1s66 s ASN 29 Ca 0.52 1.85 0.15 0.00 0.42 0.00 0.00 52.86 55.81 1s66 s ASN 29 Cb 0.43 -2.58 0.96 0.00 -1.45 0.00 0.00 41.25 38.61 1s66 s ASN 29 CO 0.10 -0.13 1.94 0.00 -3.72 0.00 0.00 177.10 175.29 1s66 h MET 30 N 3.02 0.00 -6.56 0.43 -0.00 -1.92 -3.42 114.93 106.48 1s66 h MET 30 Ca -0.47 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.71 1s66 h MET 30 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.76 1s66 h MET 30 CO 0.64 0.24 0.13 -1.64 -0.00 0.00 0.00 176.91 176.29 1s66 s MET 31 N -4.42 4.35 0.89 -0.10 -1.94 -1.26 -4.89 119.30 111.92 1s66 s MET 31 Ca -0.03 0.97 -0.11 0.00 -1.71 0.00 0.00 55.69 54.80 1s66 s MET 31 Cb 0.15 -2.99 0.13 0.00 2.01 0.00 0.00 34.83 34.13 1s66 s MET 31 CO 0.69 0.44 1.16 0.20 -0.01 0.00 0.00 175.02 177.51 1s66 s GLY 32 N -1.50 1.82 -0.22 -0.03 0.00 -0.28 -4.72 107.32 102.40 1s66 s GLY 32 Ca 0.41 0.67 -0.03 0.00 0.00 0.00 0.00 44.72 45.76 1s66 s GLY 32 CO 0.22 1.09 0.30 0.00 0.00 0.00 0.00 173.10 174.71 1s66 s ALA 33 N -2.51 -0.69 -0.33 3.20 0.00 -1.26 -2.48 121.76 117.69 1s66 s ALA 33 Ca 0.69 0.60 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1s66 s ALA 33 Cb -0.24 -1.49 0.10 0.00 0.00 0.00 0.00 23.12 21.48 1s66 s ALA 33 CO 0.56 -1.22 0.04 0.08 0.00 0.00 0.00 175.76 175.21 1s66 s VAL 34 N 2.44 2.30 -0.01 0.00 1.01 -1.17 -3.30 120.40 121.68 1s66 s VAL 34 Ca 0.10 -2.25 -0.13 0.00 0.00 0.00 0.00 61.98 59.70 1s66 s VAL 34 Cb -0.15 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1s66 s VAL 34 CO -0.14 -0.53 0.37 -0.22 0.00 0.00 0.00 175.10 174.58 1s66 s LEU 35 N 0.93 4.45 0.02 3.92 2.96 -1.12 -2.64 118.68 127.21 1s66 s LEU 35 Ca 0.08 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 54.93 1s66 s LEU 35 Cb -0.19 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1s66 s LEU 35 CO -0.07 0.32 -0.15 0.27 -1.32 0.00 0.00 176.35 175.39 1s66 s ILE 36 N -1.11 1.23 0.34 6.68 -4.36 -0.95 -1.88 121.20 121.14 1s66 s ILE 36 Ca 0.24 -0.92 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 1s66 s ILE 36 Cb -0.16 -1.08 0.07 0.00 1.25 0.00 0.00 42.46 42.55 1s66 s ILE 36 CO 0.13 0.14 0.46 -0.46 0.24 0.00 0.00 174.94 175.45 1s66 n ASN 37 N 2.14 0.32 0.28 4.36 2.04 -0.89 -2.57 115.26 120.95 1s66 n ASN 37 Ca -0.17 -1.34 0.12 0.00 -0.44 0.00 0.00 54.58 52.75 1s66 n ASN 37 Cb 0.54 -0.33 0.80 0.00 -2.53 0.00 0.00 39.78 38.27 1s66 n ASN 37 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1s66 h GLU 38 N 0.00 0.00 -0.78 -3.83 4.11 -1.86 -2.21 114.58 110.01 1s66 h GLU 38 Ca -0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 1s66 h GLU 38 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1s66 h GLU 38 CO 0.13 0.02 0.04 0.09 0.07 0.00 0.00 179.01 179.36 1s66 n ASN 39 N -4.05 3.71 -2.38 3.06 5.03 -1.26 -4.91 115.26 114.46 1s66 n ASN 39 Ca -0.03 -2.58 -0.19 0.00 0.87 0.00 0.00 54.58 52.66 1s66 n ASN 39 Cb 0.11 -0.62 -0.01 0.00 -1.02 0.00 0.00 39.78 38.24 1s66 n ASN 39 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1s66 n ASP 40 N 0.28 -5.50 -4.62 6.41 10.43 -0.83 -4.95 116.55 117.77 1s66 n ASP 40 Ca 0.18 0.04 -0.35 0.00 2.57 0.00 0.00 54.79 57.23 1s66 n ASP 40 Cb 0.84 -4.60 -0.10 0.00 1.84 0.00 0.00 41.12 39.09 1s66 n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1s66 s GLU 41 N -5.00 3.97 -0.47 -1.24 2.02 -1.26 -1.29 118.70 115.43 1s66 s GLU 41 Ca 0.00 -0.34 -0.28 0.00 0.02 0.00 0.00 54.97 54.38 1s66 s GLU 41 Cb 0.00 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1s66 s GLU 41 CO 0.00 0.19 1.72 0.08 0.02 0.00 0.00 175.26 177.27 1s66 s VAL 42 N 0.62 3.53 -0.86 2.63 1.01 -0.88 -2.09 120.40 124.37 1s66 s VAL 42 Ca 0.04 0.47 0.24 0.00 0.00 0.00 0.00 61.98 62.73 1s66 s VAL 42 Cb -0.13 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1s66 s VAL 42 CO 0.01 -0.73 1.23 1.15 0.00 0.00 0.00 175.10 176.76 1s66 n MET 43 N 8.67 0.11 -3.83 2.72 0.00 -0.79 -2.44 117.12 121.56 1s66 n MET 43 Ca 0.20 0.01 -0.12 0.00 0.00 0.00 0.00 57.70 57.78 1s66 n MET 43 Cb 0.49 -1.55 -0.13 0.00 0.00 0.00 0.00 33.22 32.03 1s66 n MET 43 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1s66 s PHE 44 N -3.07 -0.10 -0.43 3.17 5.36 -1.18 -4.99 117.98 116.74 1s66 s PHE 44 Ca 0.08 0.26 0.06 0.00 -0.96 0.00 0.00 56.93 56.37 1s66 s PHE 44 Cb 0.16 0.02 0.18 0.00 -0.34 0.00 0.00 43.02 43.04 1s66 s PHE 44 CO 0.75 -0.06 0.69 0.12 -1.46 0.00 0.00 175.22 175.27 1s66 s PHE 45 N 0.17 -1.58 0.88 10.12 5.36 -1.25 -2.79 117.98 128.89 1s66 s PHE 45 Ca -0.01 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 55.90 1s66 s PHE 45 Cb -0.02 0.30 0.12 0.00 -0.34 0.00 0.00 43.02 43.08 1s66 s PHE 45 CO -0.00 -1.11 1.10 0.54 -1.46 0.00 0.00 175.22 174.29 1s66 s ASN 46 N 1.63 3.69 0.61 6.13 6.03 -1.21 -4.76 114.94 127.06 1s66 s ASN 46 Ca 0.19 1.28 0.32 0.00 -1.03 0.00 0.00 52.86 53.62 1s66 s ASN 46 Cb -0.02 -1.95 1.88 0.00 -3.03 0.00 0.00 41.25 38.12 1s66 s ASN 46 CO -0.07 -2.48 2.20 -0.65 -2.03 0.00 0.00 177.10 174.07 1s66 h PRO 47 N -1.44 0.00 -0.31 3.55 0.11 -1.93 -2.02 132.00 129.97 1s66 h PRO 47 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1s66 h PRO 47 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1s66 h PRO 47 CO 0.58 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.04 1s66 h ALA 48 N 1.86 0.84 0.00 -0.75 0.00 -1.85 -2.81 119.26 116.56 1s66 h ALA 48 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1s66 h ALA 48 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s66 h ALA 48 CO -0.00 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 1s66 h ALA 49 N 1.06 0.99 0.00 0.00 0.00 -1.66 -3.07 119.26 116.59 1s66 h ALA 49 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1s66 h ALA 49 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1s66 h ALA 49 CO 0.07 0.05 -0.47 0.93 0.00 0.00 0.00 179.25 179.83 1s66 h GLU 50 N 0.00 0.00 0.05 0.00 5.08 -1.25 -2.67 114.58 115.80 1s66 h GLU 50 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1s66 h GLU 50 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s66 h GLU 50 CO 0.01 0.47 -1.41 0.87 -1.00 0.00 0.00 179.01 177.95 1s66 h LYS 51 N 0.00 0.11 -0.03 2.33 6.56 -1.47 -2.15 116.57 121.93 1s66 h LYS 51 Ca -0.00 -0.20 -0.01 0.00 -1.06 0.00 0.00 60.65 59.38 1s66 h LYS 51 Cb 0.88 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1s66 h LYS 51 CO 0.06 0.94 -0.04 -0.07 -2.06 0.00 0.00 179.45 178.28 1s66 h LEU 52 N 0.03 0.08 0.00 2.94 3.38 -1.55 -3.34 115.31 116.85 1s66 h LEU 52 Ca -0.18 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1s66 h LEU 52 Cb 1.94 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1s66 h LEU 52 CO 0.13 0.60 -1.05 -0.50 0.09 0.00 0.00 178.44 177.71 1s66 h TRP 53 N -0.43 0.00 -0.11 1.13 6.55 -1.64 -3.45 115.95 118.00 1s66 h TRP 53 Ca 0.00 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1s66 h TRP 53 Cb 0.58 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.86 1s66 h TRP 53 CO 0.11 0.41 -0.04 0.41 -1.05 0.00 0.00 178.44 178.27 1s66 n GLY 54 N 1.30 0.56 3.70 1.49 0.00 -0.82 -1.88 105.19 109.54 1s66 n GLY 54 Ca -0.04 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1s66 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s66 s TYR 55 N -2.07 3.17 0.74 1.61 4.12 -1.19 -4.75 117.35 118.98 1s66 s TYR 55 Ca 0.00 0.18 -0.12 0.00 0.02 0.00 0.00 57.07 57.15 1s66 s TYR 55 Cb 0.00 -1.76 0.04 0.00 -1.52 0.00 0.00 41.96 38.72 1s66 s TYR 55 CO 0.00 0.49 1.12 0.15 0.02 0.00 0.00 175.55 177.33 1s66 s LYS 56 N -1.17 2.55 0.38 -0.62 3.01 -1.26 -4.28 119.74 118.34 1s66 s LYS 56 Ca 0.16 0.33 0.10 0.00 -1.01 0.00 0.00 55.97 55.56 1s66 s LYS 56 Cb -0.11 -2.00 0.76 0.00 -1.01 0.00 0.00 37.83 35.47 1s66 s LYS 56 CO 0.06 -1.23 1.88 -0.09 0.51 0.00 0.00 175.35 176.48 1s66 h ARG 57 N -0.79 0.16 0.00 1.68 2.43 -1.95 -2.92 114.38 112.99 1s66 h ARG 57 Ca -0.45 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 1s66 h ARG 57 Cb 1.28 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1s66 h ARG 57 CO 0.65 0.38 -0.41 0.93 -1.51 0.00 0.00 179.97 180.00 1s66 h GLU 58 N 0.15 0.00 0.00 0.20 3.07 -1.93 -2.70 114.58 113.37 1s66 h GLU 58 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1s66 h GLU 58 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1s66 h GLU 58 CO 0.03 0.41 -0.12 0.93 -1.40 0.00 0.00 179.01 178.87 1s66 h GLU 59 N 0.00 0.00 0.00 2.33 5.08 -1.91 -3.38 114.58 116.71 1s66 h GLU 59 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1s66 h GLU 59 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1s66 h GLU 59 CO 0.05 0.00 -1.83 0.28 -1.00 0.00 0.00 179.01 176.51 1s66 n VAL 60 N -2.41 0.84 -2.45 3.13 0.31 -1.15 -4.88 118.33 111.72 1s66 n VAL 60 Ca 0.05 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1s66 n VAL 60 Cb 0.45 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 1s66 n VAL 60 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s66 s ILE 61 N -2.29 4.12 0.00 2.52 -1.09 -1.03 -2.80 121.20 120.63 1s66 s ILE 61 Ca -0.13 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1s66 s ILE 61 Cb 0.04 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1s66 s ILE 61 CO 0.42 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1s66 n GLY 62 N 3.21 3.45 3.96 6.18 0.00 -1.02 -4.98 105.19 115.99 1s66 n GLY 62 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1s66 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s66 s ASN 63 N -0.98 5.63 0.82 1.61 0.01 -1.12 -4.79 114.94 116.11 1s66 s ASN 63 Ca 0.00 0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 52.27 1s66 s ASN 63 Cb 0.00 -1.33 0.08 0.00 0.41 0.00 0.00 41.25 40.41 1s66 s ASN 63 CO 0.00 -0.88 1.09 0.21 -1.51 0.00 0.00 177.10 176.01 1s66 s ASN 64 N -4.29 4.13 0.48 -1.22 2.47 -1.26 -2.07 114.94 113.17 1s66 s ASN 64 Ca 0.52 1.63 0.27 0.00 0.42 0.00 0.00 52.86 55.70 1s66 s ASN 64 Cb -0.10 -2.34 1.12 0.00 -1.45 0.00 0.00 41.25 38.48 1s66 s ASN 64 CO 0.39 -2.25 1.91 -0.29 -3.72 0.00 0.00 177.10 173.14 1s66 h ILE 65 N -1.28 0.45 0.00 -5.21 6.09 -1.56 -3.24 117.51 112.76 1s66 h ILE 65 Ca -0.46 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.14 1s66 h ILE 65 Cb 1.25 1.63 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1s66 h ILE 65 CO 0.54 0.16 0.00 0.47 -3.07 0.00 0.00 178.15 176.25 1s66 n ASP 66 N -3.37 0.65 0.12 2.19 10.43 -1.26 -2.28 116.55 123.02 1s66 n ASP 66 Ca -0.00 0.68 -0.02 0.00 2.57 0.00 0.00 54.79 58.02 1s66 n ASP 66 Cb 0.37 -0.81 0.20 0.00 1.84 0.00 0.00 41.12 42.71 1s66 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s66 h MET 67 N 0.00 0.14 -0.00 -1.24 -0.00 -1.96 -2.99 114.93 108.88 1s66 h MET 67 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1s66 h MET 67 Cb 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1s66 h MET 67 CO 0.00 0.63 -0.18 1.28 -0.00 0.00 0.00 176.91 178.64 1s66 n LEU 68 N -3.93 0.46 -4.81 -0.10 4.77 -0.96 -4.84 117.00 107.59 1s66 n LEU 68 Ca -0.02 0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.64 1s66 n LEU 68 Cb 0.55 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1s66 n LEU 68 CO 0.42 0.09 0.32 -0.63 -1.33 0.00 0.00 177.39 176.27 1s66 s ILE 69 N -2.65 4.67 0.75 -0.08 -1.09 -1.13 -4.74 121.20 116.92 1s66 s ILE 69 Ca 0.23 1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 59.73 1s66 s ILE 69 Cb 0.19 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1s66 s ILE 69 CO 0.53 0.43 0.89 -2.65 -1.23 0.00 0.00 174.94 172.90 1s66 n PRO 70 N 1.34 0.35 0.10 2.79 -0.02 -1.26 -4.83 135.00 133.47 1s66 n PRO 70 Ca -0.07 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 1s66 n PRO 70 Cb 0.51 -2.16 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 1s66 n PRO 70 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1s66 h ARG 71 N -0.49 0.19 0.00 -0.52 0.11 -1.96 -1.90 114.38 109.81 1s66 h ARG 71 Ca -0.46 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.51 1s66 h ARG 71 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1s66 h ARG 71 CO 0.45 0.63 0.00 0.38 0.10 0.00 0.00 179.97 181.53 1s66 h ASP 72 N 0.16 0.00 -0.12 0.08 -0.00 -2.03 -3.15 116.42 111.36 1s66 h ASP 72 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1s66 h ASP 72 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.22 1s66 h ASP 72 CO 0.07 0.00 0.00 -0.11 -0.00 0.00 0.00 179.24 179.20 1s66 n LEU 73 N -3.04 2.82 -0.14 0.15 0.00 -0.99 -4.54 117.00 111.27 1s66 n LEU 73 Ca 0.02 -1.16 -0.06 0.00 0.00 0.00 0.00 56.01 54.81 1s66 n LEU 73 Cb 0.40 -0.07 0.11 0.00 0.00 0.00 0.00 43.42 43.86 1s66 n LEU 73 CO 0.30 0.53 0.83 0.03 0.00 0.00 0.00 177.39 179.08 1s66 h ARG 74 N 3.85 0.88 -0.02 1.96 3.08 -1.31 -2.54 114.38 120.28 1s66 h ARG 74 Ca 0.00 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1s66 h ARG 74 Cb 0.84 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1s66 h ARG 74 CO 0.00 0.90 0.00 -1.35 -1.07 0.00 0.00 179.97 178.45 1s66 h PRO 75 N 0.80 0.02 0.00 0.04 0.11 -1.80 -3.29 132.00 127.89 1s66 h PRO 75 Ca 0.14 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 1s66 h PRO 75 Cb 0.54 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1s66 h PRO 75 CO 0.03 0.02 -2.03 0.00 -0.21 0.00 0.00 178.00 175.81 1s66 n ALA 76 N -2.54 2.45 -0.01 -0.75 0.00 -1.16 -4.69 120.51 113.82 1s66 n ALA 76 Ca -0.03 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 1s66 n ALA 76 Cb 0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1s66 n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s66 h HIS 77 N 0.00 0.95 -0.12 0.00 6.17 -1.52 -3.02 115.15 117.61 1s66 h HIS 77 Ca -0.13 -0.41 0.04 0.00 0.71 0.00 0.00 60.37 60.57 1s66 h HIS 77 Cb 1.25 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 31.03 1s66 h HIS 77 CO 0.00 1.23 0.10 -1.35 0.71 0.00 0.00 177.93 178.62 1s66 h PRO 78 N 0.49 0.00 0.00 5.26 0.11 -1.84 -2.20 132.00 133.82 1s66 h PRO 78 Ca -0.04 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 1s66 h PRO 78 Cb 1.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1s66 h PRO 78 CO 0.15 0.00 -0.64 0.93 -0.21 0.00 0.00 178.00 178.23 1s66 h GLU 79 N 0.00 0.00 -0.31 1.05 5.08 -1.83 -2.92 114.58 115.66 1s66 h GLU 79 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1s66 h GLU 79 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1s66 h GLU 79 CO -0.00 0.57 -0.24 1.88 -1.00 0.00 0.00 179.01 180.21 1s66 h TYR 80 N 0.00 0.83 -0.24 4.33 0.05 -1.29 -2.92 116.97 117.73 1s66 h TYR 80 Ca -0.02 -0.24 -0.16 0.00 0.05 0.00 0.00 58.73 58.37 1s66 h TYR 80 Cb 1.46 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.02 1s66 h TYR 80 CO 0.00 0.97 -0.46 0.82 -1.05 0.00 0.00 178.16 178.44 1s66 h ILE 81 N 0.46 1.30 -0.81 -2.88 2.04 -1.58 -3.08 117.51 112.96 1s66 h ILE 81 Ca 0.06 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1s66 h ILE 81 Cb 0.80 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1s66 h ILE 81 CO 0.06 0.53 0.35 -0.09 0.00 0.00 0.00 178.15 179.01 1s66 h ARG 82 N 0.47 1.19 -0.62 2.37 2.43 -1.59 -2.56 114.38 116.07 1s66 h ARG 82 Ca 0.01 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1s66 h ARG 82 Cb 1.07 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1s66 h ARG 82 CO 0.10 0.94 0.02 1.25 -1.51 0.00 0.00 179.97 180.77 1s66 h HIS 83 N 1.17 1.18 0.00 2.20 2.76 -1.55 -2.86 115.15 118.05 1s66 h HIS 83 Ca 0.27 -0.20 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 1s66 h HIS 83 Cb 0.17 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1s66 h HIS 83 CO 0.02 1.03 -0.29 -0.97 -1.30 0.00 0.00 177.93 176.42 1s66 h ASN 84 N 1.00 0.00 0.24 3.26 -1.24 -1.41 -2.47 115.58 114.96 1s66 h ASN 84 Ca 0.18 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.95 1s66 h ASN 84 Cb 0.55 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.60 1s66 h ASN 84 CO 0.03 0.29 -0.96 0.03 -1.29 0.00 0.00 177.43 175.53 1s66 h ARG 85 N 0.00 0.49 0.00 6.67 3.08 -1.29 -3.23 114.38 120.10 1s66 h ARG 85 Ca -0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1s66 h ARG 85 Cb 0.69 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1s66 h ARG 85 CO 0.04 1.16 -0.05 0.39 -1.07 0.00 0.00 179.97 180.43 1s66 n GLU 86 N -3.78 0.25 0.16 0.04 -0.58 -1.10 -4.25 120.64 111.39 1s66 n GLU 86 Ca -0.08 0.19 -0.08 0.00 -0.42 0.00 0.00 57.16 56.78 1s66 n GLU 86 Cb 0.84 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 1s66 n GLU 86 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1s66 h GLY 87 N 4.55 -0.52 0.00 0.62 0.00 -1.46 -3.48 103.07 102.78 1s66 h GLY 87 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1s66 h GLY 87 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.96 1s66 n GLY 88 N 0.51 2.03 2.75 4.60 0.00 -1.25 -4.84 105.19 108.98 1s66 n GLY 88 Ca -0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1s66 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s66 n LYS 89 N 0.00 -3.87 -2.86 1.61 5.02 -1.26 -2.25 118.16 114.56 1s66 n LYS 89 Ca 0.00 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.85 1s66 n LYS 89 Cb 0.00 -5.22 -0.00 0.00 -0.02 0.00 0.00 35.03 29.79 1s66 n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s66 n ALA 90 N -3.17 -0.91 -2.27 7.82 0.00 -1.26 -3.95 120.51 116.77 1s66 n ALA 90 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1s66 n ALA 90 Cb 0.60 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1s66 n ALA 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s66 n ARG 91 N -3.29 -5.03 -3.45 0.00 0.63 -0.95 -5.04 116.66 99.52 1s66 n ARG 91 Ca -0.09 3.66 -0.28 0.00 -0.92 0.00 0.00 57.85 60.21 1s66 n ARG 91 Cb 0.59 -4.52 -0.11 0.00 0.45 0.00 0.00 32.46 28.86 1s66 n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1s66 s VAL 92 N -0.57 0.26 0.00 5.15 0.11 -1.25 -5.09 120.40 119.01 1s66 s VAL 92 Ca 0.00 -2.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1s66 s VAL 92 Cb 0.00 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1s66 s VAL 92 CO 0.00 -1.06 0.00 -0.62 -3.33 0.00 0.00 175.10 170.09 1s66 n GLU 93 N 3.66 0.00 0.00 1.54 4.71 -1.26 -4.82 120.64 124.46 1s66 n GLU 93 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1s66 n GLU 93 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 1s66 n GLU 93 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s66 n GLY 94 N -0.07 -0.66 3.74 0.62 0.00 -1.26 -2.52 105.19 105.05 1s66 n GLY 94 Ca 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 1s66 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s66 s MET 95 N 0.00 1.54 -0.07 1.61 0.23 -1.23 -5.05 119.30 116.33 1s66 s MET 95 Ca 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 55.69 53.86 1s66 s MET 95 Cb 0.00 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.88 1s66 s MET 95 CO 0.00 -0.70 -0.04 0.45 -2.03 0.00 0.00 175.02 172.70 1s66 s SER 96 N -2.87 1.48 0.25 -1.18 0.15 -1.26 -2.09 113.70 108.17 1s66 s SER 96 Ca 0.09 -0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.37 1s66 s SER 96 Cb -0.04 -0.55 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1s66 s SER 96 CO 0.02 -0.11 0.80 0.00 1.20 0.00 0.00 173.24 175.15 1s66 s ARG 97 N 1.43 1.66 -0.15 5.44 3.03 -1.17 -5.03 118.95 124.16 1s66 s ARG 97 Ca -0.03 -0.94 -0.17 0.00 2.03 0.00 0.00 55.73 56.62 1s66 s ARG 97 Cb -0.13 0.55 -0.04 0.00 -1.03 0.00 0.00 34.95 34.29 1s66 s ARG 97 CO -0.03 -0.76 0.43 -1.21 -1.13 0.00 0.00 175.30 172.60 1s66 s GLU 98 N -3.52 4.29 0.05 3.89 2.02 -1.26 -1.88 118.70 122.28 1s66 s GLU 98 Ca 0.12 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.50 1s66 s GLU 98 Cb -0.05 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1s66 s GLU 98 CO 0.06 0.12 -0.14 -0.51 0.02 0.00 0.00 175.26 174.81 1s66 s LEU 99 N 0.78 2.21 -0.66 1.80 1.43 -1.19 -4.96 118.68 118.10 1s66 s LEU 99 Ca 0.23 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 1s66 s LEU 99 Cb -0.15 -0.55 0.05 0.00 0.03 0.00 0.00 46.19 45.57 1s66 s LEU 99 CO 0.09 -0.02 1.10 -1.58 0.23 0.00 0.00 176.35 176.17 1s66 s GLN 100 N -1.37 3.22 0.21 1.70 0.74 -1.26 -2.17 119.66 120.72 1s66 s GLN 100 Ca -0.00 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 1s66 s GLN 100 Cb -0.09 -4.16 -0.08 0.00 1.10 0.00 0.00 33.01 29.78 1s66 s GLN 100 CO 0.02 -1.87 1.09 -1.17 -0.55 0.00 0.00 175.29 172.80 1s66 s LEU 101 N 4.77 4.52 -0.19 3.68 0.20 -0.66 -4.82 118.68 126.18 1s66 s LEU 101 Ca 0.31 2.13 -0.04 0.00 0.69 0.00 0.00 54.13 57.21 1s66 s LEU 101 Cb -0.12 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1s66 s LEU 101 CO 0.15 -0.17 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.31 1s66 s GLU 102 N -0.70 3.57 0.86 1.98 2.12 -1.26 -2.53 118.70 122.74 1s66 s GLU 102 Ca 0.47 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1s66 s GLU 102 Cb -0.30 -3.00 0.20 0.00 0.26 0.00 0.00 34.13 31.29 1s66 s GLU 102 CO 0.36 0.04 1.17 1.63 -0.54 0.00 0.00 175.26 177.92 1s66 n LYS 103 N 4.13 -1.06 -0.12 4.30 5.02 -0.95 -4.79 118.16 124.68 1s66 n LYS 103 Ca -0.17 -1.91 -0.12 0.00 -2.02 0.00 0.00 58.31 54.09 1s66 n LYS 103 Cb 0.52 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1s66 n LYS 103 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1s66 h LYS 104 N 0.00 0.70 0.00 1.97 3.64 -1.67 -3.18 116.57 118.03 1s66 h LYS 104 Ca -0.38 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1s66 h LYS 104 Cb 1.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1s66 h LYS 104 CO 0.28 0.88 0.00 -0.40 -2.27 0.00 0.00 179.45 177.94 1s66 n ASP 105 N -4.36 0.00 0.00 4.20 3.85 -1.26 -4.90 116.55 114.08 1s66 n ASP 105 Ca -0.02 0.49 0.00 0.00 -0.71 0.00 0.00 54.79 54.55 1s66 n ASP 105 Cb 0.37 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 1s66 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s66 n GLY 106 N 0.68 1.95 3.70 6.12 0.00 -1.20 -5.09 105.19 111.35 1s66 n GLY 106 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1s66 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s66 s SER 107 N -1.63 3.34 -0.05 1.61 1.04 -1.26 -4.76 113.70 111.98 1s66 s SER 107 Ca 0.00 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.08 1s66 s SER 107 Cb 0.00 -2.29 0.02 0.00 0.10 0.00 0.00 66.02 63.84 1s66 s SER 107 CO 0.00 -2.75 -0.07 -0.54 0.98 0.00 0.00 173.24 170.86 1s66 s LYS 108 N -4.85 1.10 0.11 4.02 1.02 -1.26 -2.25 119.74 117.63 1s66 s LYS 108 Ca 0.64 -0.23 0.09 0.00 0.02 0.00 0.00 55.97 56.49 1s66 s LYS 108 Cb -0.19 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.08 1s66 s LYS 108 CO 0.58 -0.02 -0.22 0.96 -0.92 0.00 0.00 175.35 175.73 1s66 s ILE 109 N 0.71 1.83 0.14 2.17 -4.36 -1.05 -5.02 121.20 115.62 1s66 s ILE 109 Ca -0.11 -1.60 -0.15 0.00 -0.26 0.00 0.00 60.65 58.53 1s66 s ILE 109 Cb -0.14 -1.66 -0.07 0.00 1.25 0.00 0.00 42.46 41.85 1s66 s ILE 109 CO 0.01 -0.03 0.55 0.26 0.24 0.00 0.00 174.94 175.98 1s66 s TRP 110 N -1.15 3.62 0.15 1.37 0.52 -1.26 -1.66 118.94 120.53 1s66 s TRP 110 Ca 0.08 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.32 1s66 s TRP 110 Cb -0.10 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.82 1s66 s TRP 110 CO 0.05 0.44 0.11 0.25 0.02 0.00 0.00 176.95 177.82 1s66 n THR 111 N 0.87 0.00 -3.61 2.01 -2.24 -0.92 -2.23 114.28 108.16 1s66 n THR 111 Ca -0.06 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.38 1s66 n THR 111 Cb 0.52 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 69.10 1s66 n THR 111 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s66 s ARG 112 N -2.60 0.36 0.59 -0.78 3.52 -0.89 -3.14 118.95 116.01 1s66 s ARG 112 Ca 0.16 -0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1s66 s ARG 112 Cb 0.01 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.92 1s66 s ARG 112 CO 0.11 -1.00 0.96 -0.06 -0.81 0.00 0.00 175.30 174.51 1s66 s PHE 113 N 1.94 3.56 -0.44 5.12 0.08 -0.79 -2.90 117.98 124.55 1s66 s PHE 113 Ca 0.09 1.10 0.06 0.00 0.12 0.00 0.00 56.93 58.30 1s66 s PHE 113 Cb -0.16 -2.65 0.21 0.00 -0.57 0.00 0.00 43.02 39.85 1s66 s PHE 113 CO -0.32 -0.64 0.56 0.00 -0.10 0.00 0.00 175.22 174.72 1s66 n ALA 114 N -2.64 0.94 -1.77 5.36 0.00 -0.50 -3.03 120.51 118.88 1s66 n ALA 114 Ca 0.05 -2.41 -0.39 0.00 0.00 0.00 0.00 53.44 50.69 1s66 n ALA 114 Cb 0.55 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1s66 n ALA 114 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s66 s LEU 115 N -0.17 4.19 -0.18 0.00 2.96 -0.89 -3.21 118.68 121.39 1s66 s LEU 115 Ca 0.33 2.46 -0.05 0.00 -0.22 0.00 0.00 54.13 56.65 1s66 s LEU 115 Cb 0.09 -3.99 0.09 0.00 0.50 0.00 0.00 46.19 42.88 1s66 s LEU 115 CO -0.15 -0.75 0.32 -0.44 -1.32 0.00 0.00 176.35 174.00 1s66 s SER 116 N -1.00 0.33 0.26 3.68 0.01 -0.80 -3.53 113.70 112.65 1s66 s SER 116 Ca 0.57 0.51 -0.29 0.00 1.31 0.00 0.00 55.95 58.04 1s66 s SER 116 Cb -0.33 0.90 -0.09 0.00 0.21 0.00 0.00 66.02 66.70 1s66 s SER 116 CO 0.42 -0.26 1.15 -0.75 0.41 0.00 0.00 173.24 174.21 1s66 s LYS 117 N 2.48 4.57 -0.22 12.44 2.20 -1.05 -1.94 119.74 138.23 1s66 s LYS 117 Ca 0.04 1.87 -0.04 0.00 -0.36 0.00 0.00 55.97 57.48 1s66 s LYS 117 Cb -0.13 -3.19 0.09 0.00 -1.51 0.00 0.00 37.83 33.09 1s66 s LYS 117 CO -0.11 0.09 0.18 0.54 -0.36 0.00 0.00 175.35 175.68 1s66 s VAL 118 N -0.87 -0.23 0.09 4.02 0.11 -1.14 -4.59 120.40 117.79 1s66 s VAL 118 Ca 0.47 -0.28 -0.27 0.00 -2.93 0.00 0.00 61.98 58.98 1s66 s VAL 118 Cb -0.33 -0.73 -0.06 0.00 -1.53 0.00 0.00 36.38 33.73 1s66 s VAL 118 CO 0.41 -0.34 0.84 -0.44 -3.33 0.00 0.00 175.10 172.24 1s66 s SER 119 N 2.24 7.36 -0.26 3.54 0.01 -1.26 -2.47 113.70 122.86 1s66 s SER 119 Ca 0.06 1.62 -0.07 0.00 1.31 0.00 0.00 55.95 58.87 1s66 s SER 119 Cb -0.16 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 63.68 1s66 s SER 119 CO -0.18 0.02 0.55 0.00 0.41 0.00 0.00 173.24 174.04 1s66 s ALA 120 N -0.24 -1.71 -1.14 1.44 0.00 -1.12 -4.94 121.76 114.06 1s66 s ALA 120 Ca 0.41 1.90 -0.03 0.00 0.00 0.00 0.00 51.96 54.24 1s66 s ALA 120 Cb -0.22 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1s66 s ALA 120 CO 0.26 -0.95 0.41 0.39 0.00 0.00 0.00 175.76 175.88 1s66 n GLU 121 N 5.42 -3.39 -0.98 0.00 1.02 -1.26 -2.97 120.64 118.48 1s66 n GLU 121 Ca -0.09 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1s66 n GLU 121 Cb 0.49 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.91 1s66 n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s66 n GLY 122 N -1.29 0.81 3.87 0.62 0.00 -1.26 -5.02 105.19 102.91 1s66 n GLY 122 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1s66 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s66 s LYS 123 N -0.06 2.36 -0.05 1.61 1.02 -1.16 -5.14 119.74 118.32 1s66 s LYS 123 Ca 0.00 -1.79 0.06 0.00 0.02 0.00 0.00 55.97 54.27 1s66 s LYS 123 Cb 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1s66 s LYS 123 CO 0.00 -0.36 -0.25 0.08 -0.92 0.00 0.00 175.35 173.90 1s66 s VAL 124 N -2.62 2.02 0.40 3.17 1.01 -1.26 -2.78 120.40 120.34 1s66 s VAL 124 Ca 0.42 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1s66 s VAL 124 Cb -0.02 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1s66 s VAL 124 CO 0.25 0.56 0.11 -0.31 0.00 0.00 0.00 175.10 175.71 1s66 s TYR 125 N -0.21 1.81 -0.16 5.22 1.51 -1.03 -2.66 117.35 121.83 1s66 s TYR 125 Ca -0.02 -1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 54.76 1s66 s TYR 125 Cb -0.13 -1.20 0.07 0.00 -0.11 0.00 0.00 41.96 40.59 1s66 s TYR 125 CO 0.03 -0.22 0.34 0.71 -1.11 0.00 0.00 175.55 175.31 1s66 s TYR 126 N -3.20 -0.60 -0.24 2.71 1.51 -1.06 -2.87 117.35 113.59 1s66 s TYR 126 Ca 0.24 1.23 -0.05 0.00 -1.01 0.00 0.00 57.07 57.49 1s66 s TYR 126 Cb 0.03 0.15 -0.01 0.00 -0.11 0.00 0.00 41.96 42.02 1s66 s TYR 126 CO 0.14 -0.40 0.00 -1.17 -1.11 0.00 0.00 175.55 173.01 1s66 s LEU 127 N 2.32 3.21 -0.36 -1.29 2.96 -0.82 -2.25 118.68 122.45 1s66 s LEU 127 Ca -0.02 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1s66 s LEU 127 Cb -0.12 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1s66 s LEU 127 CO -0.11 -0.06 0.18 0.00 -1.32 0.00 0.00 176.35 175.04 1s66 s ALA 128 N 1.50 3.23 -0.31 5.97 0.00 -1.08 -1.91 121.76 129.16 1s66 s ALA 128 Ca 0.05 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1s66 s ALA 128 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 1s66 s ALA 128 CO -0.01 -1.33 0.55 -0.51 0.00 0.00 0.00 175.76 174.47 1s66 s LEU 129 N 1.53 4.20 0.07 0.00 1.43 -1.20 -3.05 118.68 121.66 1s66 s LEU 129 Ca 0.02 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1s66 s LEU 129 Cb -0.19 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1s66 s LEU 129 CO 0.06 -0.43 -0.22 -0.69 0.23 0.00 0.00 176.35 175.29 1s66 s VAL 130 N 2.46 2.50 0.26 -1.59 1.01 -1.04 -1.41 120.40 122.59 1s66 s VAL 130 Ca 0.22 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1s66 s VAL 130 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1s66 s VAL 130 CO 0.12 0.26 0.28 0.00 0.00 0.00 0.00 175.10 175.76 1s66 s ARG 131 N -1.61 1.49 0.12 2.72 1.70 -1.14 -1.12 118.95 121.10 1s66 s ARG 131 Ca 0.14 -1.67 -0.27 0.00 -0.47 0.00 0.00 55.73 53.46 1s66 s ARG 131 Cb -0.10 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1s66 s ARG 131 CO 0.05 -0.55 0.86 0.34 -1.08 0.00 0.00 175.30 174.92 1s66 s ASP 132 N -3.19 7.41 -0.35 -2.89 -1.08 -1.26 -2.09 116.67 113.21 1s66 s ASP 132 Ca 0.35 1.67 0.14 0.00 -0.52 0.00 0.00 52.55 54.20 1s66 s ASP 132 Cb 0.04 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.41 1s66 s ASP 132 CO 0.16 0.05 1.03 0.00 0.52 0.00 0.00 175.17 176.92 1s66 n ALA 133 N 2.37 3.88 0.35 3.66 0.00 -0.95 -4.81 120.51 125.01 1s66 n ALA 133 Ca -0.01 -3.46 0.04 0.00 0.00 0.00 0.00 53.44 50.00 1s66 n ALA 133 Cb 0.49 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 19.19 1s66 n ALA 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37