#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otd s GLN 22 N 0.00 2.86 0.19 -1.46 -1.52 -1.26 -4.98 119.66 113.48 1otd s GLN 22 Ca 0.00 -0.88 -0.07 0.00 -1.95 0.00 0.00 55.36 52.46 1otd s GLN 22 Cb 0.00 -2.62 0.10 0.00 -0.22 0.00 0.00 33.01 30.26 1otd s GLN 22 CO 0.00 0.48 1.56 1.25 -0.25 0.00 0.00 175.29 178.34 1otd h LEU 23 N 2.47 0.85 -0.18 2.90 5.85 -2.02 -3.14 115.31 122.03 1otd h LEU 23 Ca -0.48 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1otd h LEU 23 Cb 1.20 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1otd h LEU 23 CO 0.63 1.09 0.00 0.47 -0.34 0.00 0.00 178.44 180.29 1otd n ASP 24 N -4.07 0.47 -0.01 1.25 8.00 -1.26 -2.27 116.55 118.65 1otd n ASP 24 Ca -0.01 0.57 0.14 0.00 0.71 0.00 0.00 54.79 56.20 1otd n ASP 24 Cb 0.49 -0.69 0.67 0.00 -0.02 0.00 0.00 41.12 41.57 1otd n ASP 24 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1otd n ASN 25 N -1.97 0.08 -4.77 -2.24 3.02 -1.19 -4.76 115.26 103.44 1otd n ASN 25 Ca 0.05 0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1otd n ASN 25 Cb 0.32 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 1otd n ASN 25 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1otd s LEU 26 N -2.73 4.38 0.00 3.41 1.43 -0.96 -4.93 118.68 119.27 1otd s LEU 26 Ca 0.23 2.05 0.30 0.00 -1.03 0.00 0.00 54.13 55.67 1otd s LEU 26 Cb 0.20 -3.90 1.39 0.00 0.03 0.00 0.00 46.19 43.91 1otd s LEU 26 CO 0.50 -0.20 1.95 0.00 0.23 0.00 0.00 176.35 178.82 1otd n ALA 27 N 0.66 2.69 -2.50 4.21 0.00 -1.26 -4.63 120.51 119.68 1otd n ALA 27 Ca 0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1otd n ALA 27 Cb 0.48 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1otd n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1otd s PHE 28 N -2.19 2.27 0.38 0.00 -0.12 -1.26 -4.95 117.98 112.11 1otd s PHE 28 Ca 0.38 -0.50 -0.26 0.00 -0.05 0.00 0.00 56.93 56.50 1otd s PHE 28 Cb 0.21 -1.22 -0.09 0.00 -0.63 0.00 0.00 43.02 41.29 1otd s PHE 28 CO 0.40 0.55 1.13 0.20 -0.05 0.00 0.00 175.22 177.45 1otd s GLY 29 N -3.55 2.87 -0.06 1.99 0.00 0.47 -4.54 107.32 104.50 1otd s GLY 29 Ca 0.31 0.89 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 1otd s GLY 29 CO 0.15 1.40 0.12 0.00 0.00 0.00 0.00 173.10 174.77 1otd s ALA 30 N -1.43 -0.18 -0.06 3.20 0.00 -1.26 -0.96 121.76 121.07 1otd s ALA 30 Ca 0.55 0.59 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1otd s ALA 30 Cb -0.29 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1otd s ALA 30 CO 0.36 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 176.25 1otd s ILE 31 N 1.26 1.05 -0.18 0.00 1.01 0.09 -1.81 121.20 122.64 1otd s ILE 31 Ca -0.08 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1otd s ILE 31 Cb -0.12 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1otd s ILE 31 CO -0.05 0.34 0.17 -1.58 0.00 0.00 0.00 174.94 173.81 1otd s GLN 32 N 0.71 4.09 0.08 2.79 0.74 -0.41 -0.77 119.66 126.89 1otd s GLN 32 Ca -0.14 -0.13 0.10 0.00 0.05 0.00 0.00 55.36 55.23 1otd s GLN 32 Cb -0.16 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1otd s GLN 32 CO 0.03 0.37 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.37 1otd s LEU 33 N 0.14 2.24 0.00 3.68 1.43 0.74 -0.34 118.68 126.57 1otd s LEU 33 Ca 0.11 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 1otd s LEU 33 Cb -0.12 -1.19 0.21 0.00 0.03 0.00 0.00 46.19 45.12 1otd s LEU 33 CO 0.00 0.20 1.25 -0.90 0.23 0.00 0.00 176.35 177.13 1otd n ASP 34 N 1.37 0.34 0.00 2.29 5.68 -0.39 -1.06 116.55 124.77 1otd n ASP 34 Ca -0.18 -1.60 0.12 0.00 -0.50 0.00 0.00 54.79 52.63 1otd n ASP 34 Cb 0.53 -0.93 0.55 0.00 -1.14 0.00 0.00 41.12 40.13 1otd n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1otd n GLY 35 N -3.37 -1.20 0.02 6.12 0.00 -1.26 -1.06 105.19 104.44 1otd n GLY 35 Ca 0.16 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1otd n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otd n ASP 36 N -1.39 0.31 0.00 1.61 10.43 -1.26 -4.90 116.55 121.34 1otd n ASP 36 Ca 0.09 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.69 1otd n ASP 36 Cb 0.23 -0.25 0.00 0.00 1.84 0.00 0.00 41.12 42.95 1otd n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1otd n GLY 37 N 1.46 0.76 3.74 0.44 0.00 -0.22 -4.91 105.19 106.45 1otd n GLY 37 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1otd n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1otd s THR 38 N -2.15 3.41 -0.28 2.61 2.01 -1.25 -0.77 115.64 119.21 1otd s THR 38 Ca 0.00 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1otd s THR 38 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1otd s THR 38 CO 0.00 0.17 1.21 -0.63 -0.69 0.00 0.00 174.62 174.68 1otd s ILE 39 N 0.11 4.30 -0.18 1.82 1.01 -0.35 -1.27 121.20 126.65 1otd s ILE 39 Ca 0.55 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.73 1otd s ILE 39 Cb -0.34 -4.22 -0.22 0.00 0.01 0.00 0.00 42.46 37.69 1otd s ILE 39 CO 0.37 -0.41 0.13 0.18 0.00 0.00 0.00 174.94 175.21 1otd n LEU 40 N 7.16 2.23 -3.94 2.97 4.77 0.54 -0.67 117.00 130.05 1otd n LEU 40 Ca 0.14 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1otd n LEU 40 Cb 0.46 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1otd n LEU 40 CO 0.60 0.79 -0.28 -1.10 -1.33 0.00 0.00 177.39 176.07 1otd s GLN 41 N -2.54 0.42 -0.24 3.23 -0.21 -1.11 -4.89 119.66 114.32 1otd s GLN 41 Ca -0.24 -0.60 -0.06 0.00 0.02 0.00 0.00 55.36 54.48 1otd s GLN 41 Cb 0.08 0.16 0.12 0.00 1.00 0.00 0.00 33.01 34.36 1otd s GLN 41 CO 0.72 -0.09 0.48 -0.47 -2.12 0.00 0.00 175.29 173.81 1otd s TYR 42 N -1.74 -1.01 0.59 0.91 6.14 -1.26 -1.28 117.35 119.71 1otd s TYR 42 Ca -0.13 1.62 0.00 0.00 0.64 0.00 0.00 57.07 59.21 1otd s TYR 42 Cb -0.07 0.40 0.05 0.00 0.42 0.00 0.00 41.96 42.76 1otd s TYR 42 CO -0.01 -0.60 0.83 0.54 0.64 0.00 0.00 175.55 176.95 1otd s ASN 43 N 2.69 5.08 0.26 4.32 4.22 -0.75 -4.80 114.94 125.97 1otd s ASN 43 Ca 0.02 -0.05 -0.02 0.00 -2.14 0.00 0.00 52.86 50.68 1otd s ASN 43 Cb -0.13 -0.73 0.34 0.00 1.28 0.00 0.00 41.25 42.01 1otd s ASN 43 CO -0.15 -1.31 1.76 0.00 -2.04 0.00 0.00 177.10 175.35 1otd h ALA 44 N -0.09 1.10 -0.54 3.54 0.00 -1.85 -2.71 119.26 118.72 1otd h ALA 44 Ca -0.41 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1otd h ALA 44 Cb 1.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1otd h ALA 44 CO 0.51 0.57 0.09 0.00 0.00 0.00 0.00 179.25 180.41 1otd h ALA 45 N 1.26 1.16 -0.47 0.00 0.00 -1.83 -0.26 119.26 119.12 1otd h ALA 45 Ca 0.14 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1otd h ALA 45 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1otd h ALA 45 CO 0.02 0.56 0.07 1.49 0.00 0.00 0.00 179.25 181.39 1otd h GLU 46 N 0.80 0.79 -0.38 0.00 4.57 -1.73 -2.10 114.58 116.53 1otd h GLU 46 Ca 0.17 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1otd h GLU 46 Cb 0.35 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1otd h GLU 46 CO 0.01 0.80 0.07 0.78 -1.18 0.00 0.00 179.01 179.49 1otd h GLY 47 N 0.66 0.61 1.77 1.92 0.00 -1.12 -0.66 103.07 106.24 1otd h GLY 47 Ca 0.14 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1otd h GLY 47 CO 0.01 0.31 -0.26 -0.55 0.00 0.00 0.00 176.54 176.05 1otd h ASP 48 N 0.55 0.27 -0.25 0.19 3.32 -0.61 0.45 116.42 120.34 1otd h ASP 48 Ca 0.13 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 1otd h ASP 48 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1otd h ASP 48 CO -0.00 0.53 -0.56 0.40 -1.72 0.00 0.00 179.24 177.89 1otd h ILE 49 N 0.25 1.28 0.00 0.35 2.04 -0.49 -3.37 117.51 117.58 1otd h ILE 49 Ca 0.04 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1otd h ILE 49 Cb 0.59 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1otd h ILE 49 CO 0.04 0.57 -0.72 0.35 0.00 0.00 0.00 178.15 178.39 1otd n THR 50 N -4.04 0.00 -1.00 -0.27 -2.24 -0.79 -4.98 114.28 100.97 1otd n THR 50 Ca -0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1otd n THR 50 Cb 0.63 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1otd n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1otd n GLY 51 N 1.35 0.86 3.79 3.38 0.00 0.15 -4.83 105.19 109.90 1otd n GLY 51 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1otd n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otd s ARG 52 N -0.00 4.33 -0.26 1.61 3.00 -1.19 -5.01 118.95 121.44 1otd s ARG 52 Ca 0.00 1.34 -0.24 0.00 0.00 0.00 0.00 55.73 56.84 1otd s ARG 52 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.40 1otd s ARG 52 CO 0.00 0.04 0.80 1.21 0.00 0.00 0.00 175.30 177.35 1otd s ASN 53 N -1.74 6.77 0.34 0.23 3.84 -1.26 -4.45 114.94 118.66 1otd s ASN 53 Ca 0.56 0.93 0.08 0.00 0.21 0.00 0.00 52.86 54.64 1otd s ASN 53 Cb -0.17 -2.42 0.80 0.00 -0.55 0.00 0.00 41.25 38.91 1otd s ASN 53 CO 0.22 -0.52 1.83 -0.65 -2.79 0.00 0.00 177.10 175.20 1otd h PRO 54 N 7.79 0.69 -0.17 0.43 0.11 -1.89 0.76 132.00 139.72 1otd h PRO 54 Ca -0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 1otd h PRO 54 Cb 1.10 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1otd h PRO 54 CO 0.86 0.46 -0.29 0.87 -0.21 0.00 0.00 178.00 179.69 1otd h LYS 55 N 0.71 0.33 -0.07 1.05 1.57 -1.92 -3.00 116.57 115.24 1otd h LYS 55 Ca 0.50 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 59.01 1otd h LYS 55 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1otd h LYS 55 CO -0.26 0.59 -0.60 0.93 -0.57 0.00 0.00 179.45 179.53 1otd h GLU 56 N 0.29 0.24 0.00 3.15 4.39 -1.25 -3.31 114.58 118.09 1otd h GLU 56 Ca 0.04 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1otd h GLU 56 Cb 0.66 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1otd h GLU 56 CO 0.05 0.77 -0.74 1.33 -1.16 0.00 0.00 179.01 179.26 1otd n VAL 57 N -3.87 0.26 -1.74 3.13 0.24 -1.11 -4.88 118.33 110.36 1otd n VAL 57 Ca -0.02 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1otd n VAL 57 Cb 0.62 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1otd n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1otd s ILE 58 N -3.16 2.02 0.00 1.34 -1.09 -1.20 -2.01 121.20 117.10 1otd s ILE 58 Ca 0.06 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1otd s ILE 58 Cb 0.14 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1otd s ILE 58 CO 0.74 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 1otd n GLY 59 N 3.27 1.48 3.95 6.18 0.00 0.15 -4.98 105.19 115.24 1otd n GLY 59 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1otd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otd s LYS 60 N -0.50 2.98 -0.13 1.61 1.02 -0.85 -4.67 119.74 119.20 1otd s LYS 60 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1otd s LYS 60 Cb 0.00 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1otd s LYS 60 CO 0.00 -0.42 1.02 1.21 -0.92 0.00 0.00 175.35 176.24 1otd s ASN 61 N -4.26 7.21 0.09 2.83 3.84 -1.26 -1.22 114.94 122.18 1otd s ASN 61 Ca 0.51 1.51 -0.21 0.00 0.21 0.00 0.00 52.86 54.87 1otd s ASN 61 Cb -0.10 -2.55 -0.11 0.00 -0.55 0.00 0.00 41.25 37.93 1otd s ASN 61 CO 0.40 -0.50 1.71 0.15 -2.79 0.00 0.00 177.10 176.07 1otd h PHE 62 N 7.18 0.14 -0.01 0.43 3.57 -1.30 -2.15 116.94 124.80 1otd h PHE 62 Ca -0.28 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.03 1otd h PHE 62 Cb 1.13 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1otd h PHE 62 CO 0.72 0.14 -0.80 0.74 -2.23 0.00 0.00 178.31 176.88 1otd h PHE 63 N 0.09 0.23 0.00 0.41 0.04 -1.81 0.41 116.94 116.31 1otd h PHE 63 Ca 0.04 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1otd h PHE 63 Cb 0.05 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1otd h PHE 63 CO -0.05 0.89 -2.02 1.63 -0.60 0.00 0.00 178.31 178.17 1otd n LYS 64 N -3.69 0.66 0.05 1.51 4.76 -1.24 -3.81 118.16 116.41 1otd n LYS 64 Ca -0.03 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1otd n LYS 64 Cb 0.76 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1otd n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1otd n ASP 65 N -2.47 0.90 -0.05 4.39 -0.08 -0.86 -4.72 116.55 113.66 1otd n ASP 65 Ca -0.12 0.16 -0.14 0.00 -1.51 0.00 0.00 54.79 53.17 1otd n ASP 65 Cb 0.76 -0.24 -0.07 0.00 2.34 0.00 0.00 41.12 43.90 1otd n ASP 65 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1otd h VAL 66 N 0.00 1.36 -2.15 5.18 2.07 -1.43 -3.39 116.25 117.90 1otd h VAL 66 Ca 0.00 -1.61 -0.54 0.00 0.82 0.00 0.00 66.70 65.38 1otd h VAL 66 Cb 0.09 2.02 -0.41 0.00 -1.52 0.00 0.00 31.29 31.47 1otd h VAL 66 CO 0.00 0.48 -0.92 0.00 0.02 0.00 0.00 177.57 177.15 1otd n ALA 67 N -2.50 3.35 0.32 1.67 0.00 0.13 -4.94 120.51 118.55 1otd n ALA 67 Ca -0.07 -4.06 0.21 0.00 0.00 0.00 0.00 53.44 49.52 1otd n ALA 67 Cb 0.50 -0.83 1.09 0.00 0.00 0.00 0.00 19.45 20.20 1otd n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1otd h PRO 68 N 2.99 0.00 0.00 0.00 0.13 -1.75 -0.14 132.00 133.24 1otd h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1otd h PRO 68 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1otd h PRO 68 CO 0.66 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1otd n THR 70 N -1.83 0.00 -2.83 0.00 -2.24 -0.06 -4.65 114.28 102.66 1otd n THR 70 Ca 0.03 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 1otd n THR 70 Cb 0.20 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1otd n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1otd s ASP 71 N -2.09 7.00 0.06 3.42 2.15 -0.72 -1.52 116.67 124.97 1otd s ASP 71 Ca 0.36 -2.81 -0.10 0.00 0.43 0.00 0.00 52.55 50.43 1otd s ASP 71 Cb 0.21 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.38 1otd s ASP 71 CO 0.37 -0.88 0.22 -0.94 -0.17 0.00 0.00 175.17 173.77 1otd s SER 72 N 3.28 0.02 0.26 -0.34 1.04 -1.26 -4.93 113.70 111.77 1otd s SER 72 Ca 0.46 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 1otd s SER 72 Cb -0.01 0.32 0.41 0.00 0.10 0.00 0.00 66.02 66.85 1otd s SER 72 CO 0.02 -0.62 1.87 -0.65 0.98 0.00 0.00 173.24 174.85 1otd h PRO 73 N 3.19 1.11 0.00 4.02 0.11 -1.95 -0.26 132.00 138.23 1otd h PRO 73 Ca -0.33 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1otd h PRO 73 Cb 1.20 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1otd h PRO 73 CO 0.50 0.73 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 1otd n GLU 74 N -4.52 0.07 0.00 1.05 0.00 -1.26 -1.18 120.64 114.80 1otd n GLU 74 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1otd n GLU 74 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.14 1otd n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1otd n PHE 75 N -1.46 0.00 -0.09 -1.84 -0.00 -0.86 -4.51 117.46 108.69 1otd n PHE 75 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.57 1otd n PHE 75 Cb 0.28 0.00 0.39 0.00 -0.00 0.00 0.00 39.48 40.15 1otd n PHE 75 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1otd h SER 76 N 0.00 0.57 -0.49 -2.13 4.64 -0.61 -0.57 113.55 114.96 1otd h SER 76 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1otd h SER 76 Cb 0.00 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1otd h SER 76 CO 0.00 0.39 0.08 1.23 -0.87 0.00 0.00 176.83 177.66 1otd h GLY 77 N 0.66 0.88 1.18 -0.77 0.00 -0.99 -0.68 103.07 103.35 1otd h GLY 77 Ca 0.23 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1otd h GLY 77 CO -0.06 0.54 0.21 1.70 0.00 0.00 0.00 176.54 178.93 1otd h LYS 78 N 0.69 1.02 0.23 4.80 3.64 -0.71 -1.16 116.57 125.08 1otd h LYS 78 Ca 0.15 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1otd h LYS 78 Cb 0.40 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1otd h LYS 78 CO 0.01 0.88 -0.11 0.35 -2.27 0.00 0.00 179.45 178.31 1otd h PHE 79 N 0.99 -0.28 -0.42 1.91 3.57 -0.67 -1.33 116.94 120.70 1otd h PHE 79 Ca 0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1otd h PHE 79 Cb 0.28 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1otd h PHE 79 CO 0.02 -0.16 0.07 0.87 -2.23 0.00 0.00 178.31 176.88 1otd h LYS 80 N -0.33 0.63 -0.54 1.11 1.79 -0.90 0.10 116.57 118.43 1otd h LYS 80 Ca -0.03 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1otd h LYS 80 Cb 0.25 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1otd h LYS 80 CO 0.05 0.61 0.26 0.93 -1.08 0.00 0.00 179.45 180.21 1otd h GLU 81 N 0.61 0.76 0.03 3.15 4.39 -1.01 -1.86 114.58 120.65 1otd h GLU 81 Ca 0.14 -0.09 -0.24 0.00 0.34 0.00 0.00 59.36 59.50 1otd h GLU 81 Cb 0.29 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1otd h GLU 81 CO 0.00 0.60 -1.02 0.78 -1.16 0.00 0.00 179.01 178.21 1otd h GLY 82 N 0.87 0.51 0.96 -3.84 0.00 0.28 -1.49 103.07 100.35 1otd h GLY 82 Ca 0.19 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.58 1otd h GLY 82 CO -0.02 0.84 0.06 -2.08 0.00 0.00 0.00 176.54 175.33 1otd h VAL 83 N 0.24 1.00 -0.59 4.60 2.07 -0.78 0.51 116.25 123.32 1otd h VAL 83 Ca -0.10 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1otd h VAL 83 Cb 1.67 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1otd h VAL 83 CO 0.18 0.02 0.30 0.00 0.02 0.00 0.00 177.57 178.09 1otd h ALA 84 N 1.05 0.77 0.00 1.67 0.00 -1.22 -2.51 119.26 119.02 1otd h ALA 84 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1otd h ALA 84 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1otd h ALA 84 CO -0.03 -0.05 -0.46 0.66 0.00 0.00 0.00 179.25 179.37 1otd h SER 85 N 0.56 0.00 -0.13 0.00 4.64 -1.13 -3.47 113.55 114.02 1otd h SER 85 Ca 0.27 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1otd h SER 85 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1otd h SER 85 CO -0.19 0.06 -0.05 0.61 -0.87 0.00 0.00 176.83 176.39 1otd n GLY 86 N 1.30 0.56 2.98 -0.77 0.00 0.18 -5.01 105.19 104.43 1otd n GLY 86 Ca 0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1otd n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1otd s ASN 87 N -2.36 3.31 -0.24 1.61 -0.87 -0.89 -5.00 114.94 110.49 1otd s ASN 87 Ca 0.00 -0.85 -0.07 0.00 -1.57 0.00 0.00 52.86 50.36 1otd s ASN 87 Cb 0.00 -1.19 0.11 0.00 -0.02 0.00 0.00 41.25 40.16 1otd s ASN 87 CO 0.00 -0.15 0.50 -0.22 -2.57 0.00 0.00 177.10 174.66 1otd s LEU 88 N 1.43 -0.84 -0.31 0.60 2.96 -1.26 -4.29 118.68 116.96 1otd s LEU 88 Ca -0.01 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 1otd s LEU 88 Cb -0.16 1.67 0.19 0.00 0.50 0.00 0.00 46.19 48.39 1otd s LEU 88 CO -0.08 -0.24 0.74 0.21 -1.32 0.00 0.00 176.35 175.66 1otd s ASN 89 N 2.71 -1.23 0.00 3.68 3.84 -1.25 -1.38 114.94 121.31 1otd s ASN 89 Ca -0.00 -0.00 -0.07 0.00 0.21 0.00 0.00 52.86 52.99 1otd s ASN 89 Cb -0.12 1.73 0.00 0.00 -0.55 0.00 0.00 41.25 42.31 1otd s ASN 89 CO -0.15 -0.21 0.13 0.28 -2.79 0.00 0.00 177.10 174.36 1otd s THR 90 N 2.67 0.08 -0.03 -5.21 -1.32 0.12 -5.01 115.64 106.94 1otd s THR 90 Ca 0.16 -0.66 0.05 0.00 -1.21 0.00 0.00 61.69 60.02 1otd s THR 90 Cb -0.06 -0.42 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 1otd s THR 90 CO -0.22 -0.36 -0.18 -0.04 -2.21 0.00 0.00 174.62 171.61 1otd s MET 91 N -1.32 1.65 0.10 7.08 -1.94 -1.26 -0.92 119.30 122.69 1otd s MET 91 Ca -0.14 -0.64 -0.25 0.00 -1.71 0.00 0.00 55.69 52.94 1otd s MET 91 Cb -0.07 -1.51 0.07 0.00 2.01 0.00 0.00 34.83 35.33 1otd s MET 91 CO 0.01 0.33 0.64 -0.59 -0.01 0.00 0.00 175.02 175.40 1otd s PHE 92 N -0.22 -0.55 0.37 -0.03 -0.71 -0.50 -5.00 117.98 111.33 1otd s PHE 92 Ca 0.02 0.52 -0.16 0.00 -1.04 0.00 0.00 56.93 56.27 1otd s PHE 92 Cb -0.09 0.52 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 1otd s PHE 92 CO 0.01 -0.77 0.80 -1.21 -1.34 0.00 0.00 175.22 172.71 1otd s GLU 93 N -3.07 4.01 0.15 1.99 2.02 -1.26 -0.76 118.70 121.77 1otd s GLU 93 Ca -0.02 0.75 -0.17 0.00 0.02 0.00 0.00 54.97 55.55 1otd s GLU 93 Cb -0.01 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.90 1otd s GLU 93 CO -0.07 0.06 0.45 -0.47 0.02 0.00 0.00 175.26 175.25 1otd s TYR 94 N -2.12 -0.20 -0.15 1.61 5.04 -0.25 -4.92 117.35 116.37 1otd s TYR 94 Ca 0.56 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 1otd s TYR 94 Cb -0.10 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.53 1otd s TYR 94 CO 0.19 -0.77 -0.20 0.99 -1.34 0.00 0.00 175.55 174.42 1otd s THR 95 N -3.82 2.19 -0.24 4.34 2.01 -1.26 -0.59 115.64 118.27 1otd s THR 95 Ca 0.05 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 1otd s THR 95 Cb 0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1otd s THR 95 CO -0.09 0.54 0.44 -0.36 -0.69 0.00 0.00 174.62 174.45 1otd s PHE 96 N 0.84 3.31 0.00 4.92 0.08 -0.12 -4.92 117.98 122.09 1otd s PHE 96 Ca -0.06 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.57 1otd s PHE 96 Cb -0.15 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1otd s PHE 96 CO -0.02 -0.16 0.65 -0.40 -0.10 0.00 0.00 175.22 175.19 1otd n ASP 97 N 5.05 0.00 -4.63 1.36 5.68 -1.26 -1.24 116.55 121.51 1otd n ASP 97 Ca -0.07 -1.42 -0.39 0.00 -0.50 0.00 0.00 54.79 52.41 1otd n ASP 97 Cb 0.51 -0.08 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 1otd n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1otd s TYR 98 N 0.00 3.29 -1.45 2.11 5.04 -1.26 -4.30 117.35 120.78 1otd s TYR 98 Ca 0.00 0.52 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 1otd s TYR 98 Cb 0.00 -2.59 0.04 0.00 0.35 0.00 0.00 41.96 39.76 1otd s TYR 98 CO 0.00 -0.18 0.70 1.04 -1.34 0.00 0.00 175.55 175.77 1otd n GLN 99 N 5.13 -4.35 -3.78 4.97 6.02 -1.26 -4.94 117.38 119.17 1otd n GLN 99 Ca -0.07 0.52 -0.04 0.00 -0.01 0.00 0.00 57.00 57.39 1otd n GLN 99 Cb 0.51 -5.05 -0.01 0.00 1.02 0.00 0.00 30.24 26.70 1otd n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1otd s MET 100 N -6.45 1.33 0.28 -1.09 0.23 -1.26 -4.96 119.30 107.39 1otd s MET 100 Ca 0.27 -0.75 -0.29 0.00 -1.03 0.00 0.00 55.69 53.89 1otd s MET 100 Cb -0.14 0.45 -0.10 0.00 -1.53 0.00 0.00 34.83 33.51 1otd s MET 100 CO 0.86 -0.61 1.21 0.99 -2.03 0.00 0.00 175.02 175.44 1otd s THR 101 N -3.30 3.16 0.20 3.16 2.01 -1.26 -4.81 115.64 114.80 1otd s THR 101 Ca 0.13 1.12 -0.32 0.00 0.31 0.00 0.00 61.69 62.93 1otd s THR 101 Cb -0.02 -3.72 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 1otd s THR 101 CO 0.04 0.25 1.67 -2.65 -0.69 0.00 0.00 174.62 173.24 1otd n PRO 102 N 1.32 2.59 -3.81 4.92 -0.02 -1.26 -4.75 135.00 133.99 1otd n PRO 102 Ca 0.01 0.93 -0.25 0.00 -2.02 0.00 0.00 63.50 62.17 1otd n PRO 102 Cb 0.43 -2.75 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 1otd n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1otd s THR 103 N 1.03 0.66 0.05 3.45 2.01 -0.37 -4.99 115.64 117.47 1otd s THR 103 Ca 0.76 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1otd s THR 103 Cb -0.56 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1otd s THR 103 CO 0.35 0.18 1.09 -0.75 -0.69 0.00 0.00 174.62 174.80 1otd s LYS 104 N 1.84 4.51 0.18 4.92 2.20 -1.26 -0.95 119.74 131.17 1otd s LYS 104 Ca 0.03 1.61 0.03 0.00 -0.36 0.00 0.00 55.97 57.28 1otd s LYS 104 Cb -0.14 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1otd s LYS 104 CO -0.07 -0.13 -0.03 0.14 -0.36 0.00 0.00 175.35 174.91 1otd s VAL 105 N 0.90 0.87 -0.13 4.02 -7.23 0.24 -2.19 120.40 116.88 1otd s VAL 105 Ca 0.55 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1otd s VAL 105 Cb -0.26 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1otd s VAL 105 CO 0.29 -0.52 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.72 1otd s LYS 106 N -3.86 3.42 -0.09 4.82 2.20 0.43 -1.09 119.74 125.57 1otd s LYS 106 Ca 0.23 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1otd s LYS 106 Cb 0.05 -2.74 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1otd s LYS 106 CO 0.04 0.28 -0.16 0.08 -0.36 0.00 0.00 175.35 175.23 1otd s VAL 107 N 0.22 2.84 -0.25 4.02 1.01 0.06 -1.14 120.40 127.15 1otd s VAL 107 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1otd s VAL 107 Cb -0.15 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.14 1otd s VAL 107 CO 0.04 0.55 -0.09 -2.28 0.00 0.00 0.00 175.10 173.32 1otd s HIS 108 N -0.03 3.16 -0.09 5.22 2.46 0.24 -1.41 115.29 124.85 1otd s HIS 108 Ca -0.04 -2.02 0.02 0.00 0.47 0.00 0.00 55.06 53.49 1otd s HIS 108 Cb -0.14 -1.98 -0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1otd s HIS 108 CO 0.04 -0.83 -0.15 1.41 -2.47 0.00 0.00 174.74 172.74 1otd s MET 109 N 1.19 2.94 0.11 2.88 0.00 -0.10 -0.72 119.30 125.61 1otd s MET 109 Ca -0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 55.69 54.75 1otd s MET 109 Cb -0.18 -2.47 0.04 0.00 0.00 0.00 0.00 34.83 32.22 1otd s MET 109 CO -0.05 0.39 0.42 -1.59 0.00 0.00 0.00 175.02 174.19 1otd s LYS 110 N -0.12 1.06 0.19 4.11 -2.85 -0.44 -0.70 119.74 120.99 1otd s LYS 110 Ca -0.02 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 1otd s LYS 110 Cb -0.14 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1otd s LYS 110 CO 0.04 -0.41 1.25 0.21 0.10 0.00 0.00 175.35 176.54 1otd s LYS 111 N -3.54 4.44 0.56 1.78 2.20 -0.48 -0.93 119.74 123.76 1otd s LYS 111 Ca 0.01 1.97 -0.20 0.00 -0.36 0.00 0.00 55.97 57.39 1otd s LYS 111 Cb 0.01 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1otd s LYS 111 CO -0.10 -0.17 1.01 0.00 -0.36 0.00 0.00 175.35 175.72 1otd n ALA 112 N 2.52 0.31 0.62 3.13 0.00 0.14 -4.86 120.51 122.37 1otd n ALA 112 Ca 0.05 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1otd n ALA 112 Cb 0.44 -2.12 0.43 0.00 0.00 0.00 0.00 19.45 18.19 1otd n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1otd n LEU 113 N -0.48 0.21 -3.88 0.00 4.77 -1.26 -4.76 117.00 111.59 1otd n LEU 113 Ca 0.12 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1otd n LEU 113 Cb 0.45 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1otd n LEU 113 CO 0.51 -0.24 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.26 1otd s SER 114 N -3.39 0.15 0.75 -1.43 1.04 -1.26 -5.12 113.70 104.43 1otd s SER 114 Ca 0.09 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1otd s SER 114 Cb 0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1otd s SER 114 CO 0.39 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1otd n GLY 115 N 0.09 0.55 2.39 7.32 0.00 -1.26 -4.58 105.19 109.71 1otd n GLY 115 Ca -0.16 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1otd n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1otd n ASP 116 N -2.08 0.85 -3.19 1.61 2.03 -1.26 -4.91 116.55 109.60 1otd n ASP 116 Ca 0.00 -2.76 -0.12 0.00 0.52 0.00 0.00 54.79 52.43 1otd n ASP 116 Cb 0.00 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.76 1otd n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1otd s SER 117 N -0.97 0.44 0.08 1.67 1.04 -1.26 -4.83 113.70 109.87 1otd s SER 117 Ca 0.34 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 55.52 1otd s SER 117 Cb 0.09 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 1otd s SER 117 CO -0.14 -1.45 -0.11 -0.31 0.98 0.00 0.00 173.24 172.21 1otd s TYR 118 N -2.85 1.04 0.06 5.02 1.51 -0.22 -0.69 117.35 121.21 1otd s TYR 118 Ca 0.23 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1otd s TYR 118 Cb -0.03 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1otd s TYR 118 CO 0.16 0.01 -0.19 -1.58 -1.11 0.00 0.00 175.55 172.83 1otd s TRP 119 N -1.77 1.66 -0.21 2.71 0.52 -0.11 -0.18 118.94 121.55 1otd s TRP 119 Ca -0.01 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.75 1otd s TRP 119 Cb -0.07 -0.97 0.04 0.00 -1.15 0.00 0.00 33.47 31.32 1otd s TRP 119 CO 0.01 0.10 -0.13 0.08 0.02 0.00 0.00 176.95 177.04 1otd s VAL 120 N -0.90 1.87 -0.04 4.03 1.01 0.05 -1.33 120.40 125.09 1otd s VAL 120 Ca 0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1otd s VAL 120 Cb -0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1otd s VAL 120 CO 0.02 0.20 0.01 -0.36 0.00 0.00 0.00 175.10 174.96 1otd s PHE 121 N 1.30 3.12 -0.01 5.22 0.08 0.11 -0.73 117.98 127.06 1otd s PHE 121 Ca -0.02 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1otd s PHE 121 Cb -0.17 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1otd s PHE 121 CO -0.08 0.47 -0.01 0.08 -0.10 0.00 0.00 175.22 175.58 1otd s VAL 122 N -1.00 0.14 0.05 -0.44 1.01 -0.13 -0.59 120.40 119.44 1otd s VAL 122 Ca 0.17 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1otd s VAL 122 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1otd s VAL 122 CO 0.07 0.09 -0.09 -1.59 0.00 0.00 0.00 175.10 173.58 1otd s LYS 123 N 0.51 0.61 0.50 2.72 -2.85 -0.29 -0.39 119.74 120.54 1otd s LYS 123 Ca -0.05 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 53.84 1otd s LYS 123 Cb -0.07 -0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.27 1otd s LYS 123 CO -0.01 0.06 1.28 1.03 0.10 0.00 0.00 175.35 177.81 1otd s ARG 124 N -1.87 3.46 0.00 1.78 0.52 -1.26 -0.43 118.95 121.15 1otd s ARG 124 Ca -0.06 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 1otd s ARG 124 Cb -0.08 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1otd s ARG 124 CO 0.00 -0.87 0.39 1.33 0.02 0.00 0.00 175.30 176.17