#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inn s VAL 3 N 0.00 2.96 -0.11 2.46 1.01 -1.26 -5.02 120.40 120.45 2inn s VAL 3 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2inn s VAL 3 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2inn s VAL 3 CO 0.00 -0.20 -0.21 0.20 0.00 0.00 0.00 175.10 174.89 2inn s ASN 4 N -2.05 2.85 0.22 3.32 0.01 -1.26 -5.02 114.94 113.01 2inn s ASN 4 Ca 0.72 -0.52 -0.19 0.00 -0.71 0.00 0.00 52.86 52.15 2inn s ASN 4 Cb -0.25 -1.31 0.03 0.00 0.41 0.00 0.00 41.25 40.14 2inn s ASN 4 CO 0.36 0.10 0.60 0.00 -1.51 0.00 0.00 177.10 176.65 2inn s ALA 5 N 0.62 -1.11 -2.00 0.60 0.00 -1.26 -5.01 121.76 113.60 2inn s ALA 5 Ca -0.13 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 51.77 2inn s ALA 5 Cb -0.17 0.88 0.65 0.00 0.00 0.00 0.00 23.12 24.48 2inn s ALA 5 CO 0.04 -0.88 1.28 1.28 0.00 0.00 0.00 175.76 177.47 2inn n LEU 6 N -0.39 0.00 0.00 0.00 4.32 -1.26 -4.85 117.00 114.82 2inn n LEU 6 Ca -0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.81 2inn n LEU 6 Cb 0.62 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.41 2inn n LEU 6 CO 0.16 0.00 0.22 0.00 -1.22 0.00 0.00 177.39 176.55 2inn n TYR 7 N -0.71 -1.49 -2.04 -1.77 0.18 -1.26 -5.09 117.16 104.98 2inn n TYR 7 Ca 0.08 -1.64 -0.43 0.00 1.88 0.00 0.00 57.90 57.79 2inn n TYR 7 Cb 0.04 0.51 -0.03 0.00 -0.38 0.00 0.00 39.34 39.48 2inn n TYR 7 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2inn s ASP 8 N -2.61 6.07 -0.99 9.48 2.15 -1.26 -4.91 116.67 124.61 2inn s ASP 8 Ca 0.18 1.41 -0.12 0.00 0.43 0.00 0.00 52.55 54.45 2inn s ASP 8 Cb -0.02 -2.53 0.24 0.00 -0.30 0.00 0.00 42.92 40.32 2inn s ASP 8 CO 0.13 -1.54 0.97 -0.47 -0.17 0.00 0.00 175.17 174.09 2inn s TYR 9 N 6.25 3.98 -0.03 -5.34 5.04 -1.26 -4.97 117.35 121.02 2inn s TYR 9 Ca 0.77 -2.32 0.06 0.00 -2.44 0.00 0.00 57.07 53.14 2inn s TYR 9 Cb -0.23 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 2inn s TYR 9 CO 0.33 -1.01 -0.22 0.15 -1.34 0.00 0.00 175.55 173.46 2inn s LYS 10 N -0.38 1.98 -0.01 4.97 3.01 -1.26 -5.03 119.74 123.02 2inn s LYS 10 Ca 0.26 -0.79 -0.16 0.00 -1.01 0.00 0.00 55.97 54.27 2inn s LYS 10 Cb -0.10 -1.81 0.03 0.00 -1.01 0.00 0.00 37.83 34.94 2inn s LYS 10 CO -0.08 0.41 0.35 -0.06 0.51 0.00 0.00 175.35 176.47 2inn s PHE 11 N -0.32 -0.22 0.19 3.18 0.08 -1.26 -5.13 117.98 114.50 2inn s PHE 11 Ca 0.03 0.30 -0.30 0.00 0.12 0.00 0.00 56.93 57.08 2inn s PHE 11 Cb -0.10 0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.39 2inn s PHE 11 CO 0.01 -0.43 1.35 -1.21 -0.10 0.00 0.00 175.22 174.83 2inn s GLU 12 N -1.53 4.36 0.48 0.44 0.41 -1.26 -5.00 118.70 116.60 2inn s GLU 12 Ca -0.12 2.10 -0.24 0.00 -0.41 0.00 0.00 54.97 56.30 2inn s GLU 12 Cb -0.04 -3.19 -0.07 0.00 -1.78 0.00 0.00 34.13 29.04 2inn s GLU 12 CO 0.03 -0.32 1.29 -2.30 -0.49 0.00 0.00 175.26 173.48 2inn n PRO 13 N 2.85 1.80 0.19 0.39 -0.02 -1.26 -4.91 135.00 134.04 2inn n PRO 13 Ca 0.07 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 2inn n PRO 13 Cb 0.42 -2.46 0.33 0.00 -0.02 0.00 0.00 33.50 31.77 2inn n PRO 13 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2inn h LYS 14 N 1.74 0.00 -0.96 -0.52 1.57 -2.07 -3.28 116.57 113.05 2inn h LYS 14 Ca -0.49 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 2inn h LYS 14 Cb 1.30 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.31 2inn h LYS 14 CO 0.58 0.33 0.68 -0.25 -0.57 0.00 0.00 179.45 180.22 2inn n ASP 15 N -3.42 6.25 -4.77 0.86 10.43 -1.26 -4.88 116.55 119.76 2inn n ASP 15 Ca 0.00 -3.74 -0.41 0.00 2.57 0.00 0.00 54.79 53.21 2inn n ASP 15 Cb 0.51 -0.89 -0.01 0.00 1.84 0.00 0.00 41.12 42.57 2inn n ASP 15 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2inn s LYS 16 N -3.65 4.14 0.59 -1.24 1.02 -1.24 -4.86 119.74 114.50 2inn s LYS 16 Ca 0.61 2.52 0.30 0.00 0.02 0.00 0.00 55.97 59.43 2inn s LYS 16 Cb 0.49 -2.99 1.37 0.00 -0.52 0.00 0.00 37.83 36.18 2inn s LYS 16 CO 0.03 -0.51 1.75 -0.24 -0.92 0.00 0.00 175.35 175.45 2inn h VAL 17 N 3.07 0.28 0.00 3.17 3.04 -1.96 0.34 116.25 124.20 2inn h VAL 17 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2inn h VAL 17 Cb 1.23 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2inn h VAL 17 CO 0.67 0.00 0.18 -0.33 -1.01 0.00 0.00 177.57 177.08 2inn h GLU 18 N 0.00 0.00 -0.01 4.17 3.07 -1.97 -2.38 114.58 117.46 2inn h GLU 18 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2inn h GLU 18 Cb 1.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 2inn h GLU 18 CO -0.00 0.00 -0.42 0.09 -1.40 0.00 0.00 179.01 177.28 2inn n ASN 19 N -2.77 0.96 -1.44 1.42 3.02 0.12 -4.07 115.26 112.50 2inn n ASN 19 Ca -0.02 -0.76 0.02 0.00 -0.03 0.00 0.00 54.58 53.79 2inn n ASN 19 Cb 0.23 0.28 0.29 0.00 -0.61 0.00 0.00 39.78 39.97 2inn n ASN 19 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2inn n PHE 20 N -0.92 1.63 -3.54 3.10 3.72 -0.89 -4.93 117.46 115.63 2inn n PHE 20 Ca 0.09 -1.05 -0.20 0.00 -0.05 0.00 0.00 57.45 56.24 2inn n PHE 20 Cb 0.36 -0.49 0.07 0.00 -0.94 0.00 0.00 39.48 38.48 2inn n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2inn n HIS 21 N -0.30 -2.24 -1.54 1.38 8.25 -1.26 -4.62 115.22 114.89 2inn n HIS 21 Ca 0.30 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.69 2inn n HIS 21 Cb 1.12 -4.87 0.00 0.00 1.12 0.00 0.00 29.99 27.36 2inn n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2inn n GLY 22 N -1.39 0.80 3.49 -1.41 0.00 -1.26 -5.19 105.19 100.22 2inn n GLY 22 Ca -0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 2inn n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2inn s GLN 24 N -2.97 1.33 -0.00 1.61 0.74 -0.13 -4.67 119.66 115.57 2inn s GLN 24 Ca 0.00 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.56 2inn s GLN 24 Cb 0.00 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 2inn s GLN 24 CO 0.00 -0.56 0.04 -0.51 -0.55 0.00 0.00 175.29 173.71 2inn s LEU 25 N -2.87 3.69 -0.01 3.68 1.43 -1.26 -1.69 118.68 121.65 2inn s LEU 25 Ca 0.09 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2inn s LEU 25 Cb -0.00 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2inn s LEU 25 CO -0.04 0.28 -0.12 -0.22 0.23 0.00 0.00 176.35 176.48 2inn s LEU 26 N -1.62 2.00 -0.05 1.79 0.20 0.06 -0.69 118.68 120.37 2inn s LEU 26 Ca 0.21 -0.21 -0.02 0.00 0.69 0.00 0.00 54.13 54.80 2inn s LEU 26 Cb -0.12 -0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 45.00 2inn s LEU 26 CO 0.12 0.14 0.05 -0.31 -0.29 0.00 0.00 176.35 176.06 2inn s TYR 27 N -0.24 3.27 -0.06 5.38 2.02 0.05 -1.11 117.35 126.67 2inn s TYR 27 Ca 0.04 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2inn s TYR 27 Cb -0.05 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2inn s TYR 27 CO -0.00 0.54 -0.07 0.08 -1.57 0.00 0.00 175.55 174.53 2inn s VAL 28 N -1.04 0.72 -0.10 0.71 1.01 -1.08 0.48 120.40 121.10 2inn s VAL 28 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2inn s VAL 28 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2inn s VAL 28 CO 0.07 0.27 -0.24 -0.47 0.00 0.00 0.00 175.10 174.74 2inn s TYR 29 N 0.96 2.55 -0.35 5.22 6.04 -0.37 -0.11 117.35 131.28 2inn s TYR 29 Ca -0.10 -1.06 0.02 0.00 0.04 0.00 0.00 57.07 55.96 2inn s TYR 29 Cb -0.14 -1.71 0.10 0.00 -1.04 0.00 0.00 41.96 39.17 2inn s TYR 29 CO 0.00 -0.43 0.08 -0.46 -1.54 0.00 0.00 175.55 173.20 2inn s TRP 30 N 0.39 3.67 0.97 4.97 -0.00 -1.26 -2.06 118.94 125.61 2inn s TRP 30 Ca -0.18 -2.75 -0.13 0.00 -0.00 0.00 0.00 56.10 53.04 2inn s TRP 30 Cb -0.18 -2.92 0.07 0.00 -0.00 0.00 0.00 33.47 30.44 2inn s TRP 30 CO 0.08 -0.95 0.52 -2.30 -0.00 0.00 0.00 176.95 174.30 2inn n PRO 31 N 4.38 -0.50 -1.53 5.86 -0.02 -1.26 -3.19 135.00 138.73 2inn n PRO 31 Ca 0.00 -0.10 -0.18 0.00 -2.02 0.00 0.00 63.50 61.20 2inn n PRO 31 Cb 0.42 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 2inn n PRO 31 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2inn n ASP 32 N -1.98 -5.23 -2.56 2.55 8.00 -1.26 -4.84 116.55 111.22 2inn n ASP 32 Ca 0.07 0.46 -0.12 0.00 0.71 0.00 0.00 54.79 55.91 2inn n ASP 32 Cb 0.54 -4.54 0.03 0.00 -0.02 0.00 0.00 41.12 37.13 2inn n ASP 32 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2inn n HIS 33 N -2.28 1.88 0.00 1.24 8.25 -1.00 -3.31 115.22 120.01 2inn n HIS 33 Ca -0.18 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 2inn n HIS 33 Cb 0.64 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2inn n HIS 33 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2inn n LEU 34 N -0.46 0.00 -0.41 2.41 4.77 -0.02 -1.94 117.00 121.35 2inn n LEU 34 Ca 0.20 0.35 0.34 0.00 -0.03 0.00 0.00 56.01 56.88 2inn n LEU 34 Cb 0.82 -0.35 0.62 0.00 -2.33 0.00 0.00 43.42 42.17 2inn n LEU 34 CO 0.23 -0.35 1.22 0.25 -1.33 0.00 0.00 177.39 177.41 2inn h LEU 35 N 0.00 0.29 -8.44 2.23 5.85 -1.83 -2.61 115.31 110.80 2inn h LEU 35 Ca 0.00 0.14 -0.67 0.00 0.84 0.00 0.00 57.88 58.19 2inn h LEU 35 Cb 0.23 0.12 -0.17 0.00 0.37 0.00 0.00 40.66 41.22 2inn h LEU 35 CO 0.00 -0.16 0.15 -0.36 -0.34 0.00 0.00 178.44 177.74 2inn s PHE 36 N -5.36 3.01 0.54 1.25 0.40 -0.82 -4.95 117.98 112.05 2inn s PHE 36 Ca -0.08 -0.36 0.28 0.00 -0.60 0.00 0.00 56.93 56.17 2inn s PHE 36 Cb 0.29 -3.60 1.44 0.00 0.51 0.00 0.00 43.02 41.67 2inn s PHE 36 CO 0.81 -1.06 1.95 0.00 0.70 0.00 0.00 175.22 177.62 2inn s ALA 38 N -4.96 -0.45 0.58 0.00 0.00 -1.26 -5.00 121.76 110.67 2inn s ALA 38 Ca -0.05 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 2inn s ALA 38 Cb 0.20 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2inn s ALA 38 CO 0.73 -0.48 1.20 -2.30 0.00 0.00 0.00 175.76 174.91 2inn n PRO 39 N 0.20 1.28 -2.09 0.00 -0.02 -1.26 -4.93 135.00 128.18 2inn n PRO 39 Ca -0.17 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.45 2inn n PRO 39 Cb 0.61 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2inn n PRO 39 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2inn s PHE 40 N -1.38 2.57 -0.21 6.00 0.08 0.84 -4.85 117.98 121.03 2inn s PHE 40 Ca 0.75 1.54 -0.03 0.00 0.12 0.00 0.00 56.93 59.32 2inn s PHE 40 Cb -0.42 -3.32 -0.00 0.00 -0.57 0.00 0.00 43.02 38.71 2inn s PHE 40 CO 0.47 -1.79 -0.08 0.00 -0.10 0.00 0.00 175.22 173.72 2inn s ALA 41 N -1.83 2.71 -0.05 5.36 0.00 -1.26 -2.63 121.76 124.06 2inn s ALA 41 Ca 0.73 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2inn s ALA 41 Cb -0.25 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2inn s ALA 41 CO 0.31 -0.37 -0.25 -0.51 0.00 0.00 0.00 175.76 174.95 2inn s LEU 42 N 1.36 2.06 -0.42 0.00 1.43 -0.26 -4.99 118.68 117.86 2inn s LEU 42 Ca 0.05 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 2inn s LEU 42 Cb -0.14 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.79 2inn s LEU 42 CO -0.05 0.25 0.29 -0.22 0.23 0.00 0.00 176.35 176.86 2inn s LEU 43 N -0.25 5.13 0.26 1.79 2.96 -1.26 -0.76 118.68 126.54 2inn s LEU 43 Ca -0.01 -1.14 0.11 0.00 -0.22 0.00 0.00 54.13 52.88 2inn s LEU 43 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2inn s LEU 43 CO 0.03 -0.49 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.68 2inn s VAL 44 N 1.59 2.30 -0.35 1.68 1.01 -0.68 -4.98 120.40 120.97 2inn s VAL 44 Ca 0.03 -2.33 -0.29 0.00 0.00 0.00 0.00 61.98 59.39 2inn s VAL 44 Cb -0.21 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2inn s VAL 44 CO 0.07 -0.42 1.12 -1.10 0.00 0.00 0.00 175.10 174.76 2inn s GLN 45 N -3.47 3.98 0.42 2.72 -1.52 -1.26 -0.95 119.66 119.56 2inn s GLN 45 Ca 0.27 0.99 0.20 0.00 -1.95 0.00 0.00 55.36 54.88 2inn s GLN 45 Cb -0.04 -3.79 1.15 0.00 -0.22 0.00 0.00 33.01 30.10 2inn s GLN 45 CO 0.13 -1.03 1.78 -1.35 -0.25 0.00 0.00 175.29 174.57 2inn h PRO 46 N 8.48 0.34 -4.66 2.91 0.11 -1.94 -3.44 132.00 133.80 2inn h PRO 46 Ca -0.22 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.41 2inn h PRO 46 Cb 1.06 -0.08 0.10 0.00 0.11 0.00 0.00 31.00 32.20 2inn h PRO 46 CO 1.05 0.23 1.46 0.41 -0.21 0.00 0.00 178.00 180.94 2inn n GLY 47 N -1.51 1.12 3.80 -0.55 0.00 -1.26 0.29 105.19 107.08 2inn n GLY 47 Ca 0.25 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2inn n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2inn s THR 49 N 6.19 2.40 0.05 2.61 -4.23 -1.26 -3.98 115.64 117.42 2inn s THR 49 Ca 0.52 -1.56 -0.36 0.00 -1.18 0.00 0.00 61.69 59.11 2inn s THR 49 Cb 0.12 -2.96 -0.20 0.00 1.34 0.00 0.00 72.50 70.80 2inn s THR 49 CO 0.23 0.00 1.51 0.15 -0.54 0.00 0.00 174.62 175.97 2inn h PHE 50 N 1.25 -1.21 -0.92 3.99 3.04 -1.42 -0.75 116.94 120.91 2inn h PHE 50 Ca -0.42 -0.03 0.25 0.00 3.98 0.00 0.00 57.97 61.75 2inn h PHE 50 Cb 1.26 0.40 -0.16 0.00 2.56 0.00 0.00 35.95 40.01 2inn h PHE 50 CO 0.61 -0.75 0.11 0.77 -2.02 0.00 0.00 178.31 177.03 2inn h SER 51 N -1.34 -0.27 0.17 0.41 0.02 -1.77 0.71 113.55 111.48 2inn h SER 51 Ca -0.13 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2inn h SER 51 Cb 1.00 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2inn h SER 51 CO 0.22 -0.27 -0.09 0.00 -1.14 0.00 0.00 176.83 175.55 2inn h ALA 52 N 1.88 -1.02 -0.28 3.77 0.00 -1.76 -1.31 119.26 120.54 2inn h ALA 52 Ca 0.57 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.45 2inn h ALA 52 Cb 1.16 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2inn h ALA 52 CO -0.79 -1.01 -0.17 -0.11 0.00 0.00 0.00 179.25 177.18 2inn n LEU 53 N -2.70 -0.30 -0.52 0.00 7.94 -0.31 0.16 117.00 121.27 2inn n LEU 53 Ca -0.03 0.83 0.44 0.00 -1.11 0.00 0.00 56.01 56.14 2inn n LEU 53 Cb 0.09 -0.23 0.78 0.00 0.53 0.00 0.00 43.42 44.60 2inn n LEU 53 CO 0.07 -0.57 1.40 0.58 -1.11 0.00 0.00 177.39 177.76 2inn h VAL 54 N 0.00 0.19 0.00 1.96 2.07 -0.62 -1.91 116.25 117.95 2inn h VAL 54 Ca 0.04 -0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.23 2inn h VAL 54 Cb 0.12 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2inn h VAL 54 CO -0.26 0.00 -2.21 0.47 0.02 0.00 0.00 177.57 175.59 2inn n ASP 55 N -4.09 2.23 0.16 0.57 8.00 0.12 -2.37 116.55 121.17 2inn n ASP 55 Ca 0.36 -0.04 0.13 0.00 0.71 0.00 0.00 54.79 55.95 2inn n ASP 55 Cb 1.64 -0.39 0.52 0.00 -0.02 0.00 0.00 41.12 42.87 2inn n ASP 55 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2inn h GLU 56 N -0.15 0.00 0.00 -1.24 5.08 -0.30 -3.39 114.58 114.58 2inn h GLU 56 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2inn h GLU 56 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2inn h GLU 56 CO -0.12 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.00 2inn n ILE 57 N -2.45 0.00 -0.32 3.13 2.08 -0.76 -4.81 119.36 116.24 2inn n ILE 57 Ca 0.02 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.29 2inn n ILE 57 Cb 0.27 -0.09 0.08 0.00 -0.75 0.00 0.00 39.64 39.15 2inn n ILE 57 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2inn h LEU 58 N 0.00 1.08 0.27 1.39 5.85 -1.61 -0.33 115.31 121.94 2inn h LEU 58 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2inn h LEU 58 Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 2inn h LEU 58 CO 0.00 0.86 -0.13 0.50 -0.34 0.00 0.00 178.44 179.33 2inn h LYS 59 N 1.21 -0.34 -0.45 1.25 1.63 -1.70 -2.61 116.57 115.55 2inn h LYS 59 Ca 0.31 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.20 2inn h LYS 59 Cb 0.02 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.63 2inn h LYS 59 CO -0.05 0.01 -0.47 -1.35 -3.45 0.00 0.00 179.45 174.14 2inn h PRO 60 N -0.85 -0.31 -1.63 1.90 0.11 -1.72 0.97 132.00 130.46 2inn h PRO 60 Ca -0.04 0.02 0.48 0.00 0.11 0.00 0.00 66.00 66.57 2inn h PRO 60 Cb 0.51 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 2inn h PRO 60 CO 0.06 -0.21 1.16 0.00 -0.21 0.00 0.00 178.00 178.81 2inn h ALA 61 N 0.34 3.48 0.00 -0.75 0.00 -1.06 -0.94 119.26 120.32 2inn h ALA 61 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2inn h ALA 61 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2inn h ALA 61 CO -0.61 -1.97 -1.86 0.25 0.00 0.00 0.00 179.25 175.06 2inn n THR 62 N -4.12 0.15 0.00 0.00 -2.24 0.11 -4.60 114.28 103.58 2inn n THR 62 Ca 0.37 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2inn n THR 62 Cb 1.69 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2inn n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2inn n ALA 63 N -2.27 0.00 0.00 6.98 0.00 0.09 -1.12 120.51 124.19 2inn n ALA 63 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2inn n ALA 63 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2inn n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2inn n ALA 64 N -0.93 0.84 -2.73 0.00 0.00 -1.26 -4.44 120.51 111.98 2inn n ALA 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2inn n ALA 64 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 2inn n ALA 64 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2inn s HIS 65 N -2.69 3.26 0.08 0.00 5.04 -0.28 -5.00 115.29 115.69 2inn s HIS 65 Ca 0.00 0.09 -0.12 0.00 -1.54 0.00 0.00 55.06 53.49 2inn s HIS 65 Cb 0.00 -2.24 -0.01 0.00 0.04 0.00 0.00 32.58 30.37 2inn s HIS 65 CO 0.00 -0.01 0.67 -2.30 -2.34 0.00 0.00 174.74 170.76 2inn n PRO 66 N 4.34 -0.17 0.28 2.88 -0.02 -1.26 -0.14 135.00 140.91 2inn n PRO 66 Ca -0.15 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.18 2inn n PRO 66 Cb 0.52 -0.97 0.95 0.00 -0.02 0.00 0.00 33.50 33.98 2inn n PRO 66 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2inn h ASP 67 N 0.00 0.00 -0.88 2.55 3.32 -1.93 -3.24 116.42 116.24 2inn h ASP 67 Ca 0.08 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.33 2inn h ASP 67 Cb 0.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.58 2inn h ASP 67 CO -0.41 0.00 -0.14 -1.28 -1.72 0.00 0.00 179.24 175.69 2inn h SER 68 N 0.00 -0.69 0.24 6.45 0.87 -0.78 -0.91 113.55 118.74 2inn h SER 68 Ca 0.00 0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2inn h SER 68 Cb 0.16 0.50 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 2inn h SER 68 CO 0.00 -0.28 -0.33 0.00 -0.53 0.00 0.00 176.83 175.69 2inn h ALA 69 N 1.87 -0.65 -0.01 6.23 0.00 -1.74 -3.17 119.26 121.78 2inn h ALA 69 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2inn h ALA 69 Cb 0.75 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2inn h ALA 69 CO -0.87 -0.91 -0.16 1.63 0.00 0.00 0.00 179.25 178.94 2inn n LYS 70 N -5.43 1.12 -2.37 0.00 5.02 -0.41 -4.79 118.16 111.29 2inn n LYS 70 Ca -0.08 -0.65 -0.38 0.00 -2.02 0.00 0.00 58.31 55.17 2inn n LYS 70 Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 2inn n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2inn s ALA 71 N -2.33 3.19 -0.64 7.82 0.00 -0.80 -5.00 121.76 124.00 2inn s ALA 71 Ca 0.29 0.91 0.06 0.00 0.00 0.00 0.00 51.96 53.22 2inn s ALA 71 Cb 0.20 -3.35 0.25 0.00 0.00 0.00 0.00 23.12 20.22 2inn s ALA 71 CO 0.45 -0.41 0.75 -3.47 0.00 0.00 0.00 175.76 173.08 2inn n ASP 72 N 0.24 3.77 -4.74 0.00 2.03 -1.26 -5.00 116.55 111.59 2inn n ASP 72 Ca 0.03 -3.44 -0.42 0.00 0.52 0.00 0.00 54.79 51.48 2inn n ASP 72 Cb 0.47 -0.67 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2inn n ASP 72 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2inn n PHE 73 N 0.87 2.64 0.00 -0.67 3.72 -1.26 -0.93 117.46 121.83 2inn n PHE 73 Ca 0.30 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 58.19 2inn n PHE 73 Cb 0.41 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 2inn n PHE 73 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2inn n LEU 74 N 0.65 0.00 -0.05 4.37 -0.00 -1.26 -4.77 117.00 115.93 2inn n LEU 74 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.10 2inn n LEU 74 Cb 0.37 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.88 2inn n LEU 74 CO 0.63 0.00 0.54 0.59 -0.00 0.00 0.00 177.39 179.15 2inn n ASN 75 N 0.21 2.18 -4.96 1.96 3.02 -0.10 -4.93 115.26 112.64 2inn n ASN 75 Ca 0.00 -2.67 -0.20 0.00 -0.03 0.00 0.00 54.58 51.68 2inn n ASN 75 Cb 0.00 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 2inn n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inn s ALA 76 N -2.15 4.18 0.23 5.41 0.00 -1.16 -5.02 121.76 123.24 2inn s ALA 76 Ca 0.20 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2inn s ALA 76 Cb 0.17 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 2inn s ALA 76 CO 0.02 -0.67 1.11 -1.21 0.00 0.00 0.00 175.76 175.01 2inn s GLU 77 N -4.65 4.60 0.34 0.00 8.01 -1.04 -4.89 118.70 121.07 2inn s GLU 77 Ca 0.58 1.78 0.08 0.00 0.01 0.00 0.00 54.97 57.42 2inn s GLU 77 Cb -0.09 -3.23 -0.07 0.00 -4.31 0.00 0.00 34.13 26.43 2inn s GLU 77 CO 0.37 0.12 -0.07 -1.58 0.01 0.00 0.00 175.26 174.12 2inn s TRP 78 N -0.65 2.29 0.00 1.61 0.52 -1.26 0.17 118.94 121.63 2inn s TRP 78 Ca 0.47 -0.59 0.01 0.00 0.02 0.00 0.00 56.10 56.01 2inn s TRP 78 Cb -0.31 -1.37 -0.00 0.00 -1.15 0.00 0.00 33.47 30.64 2inn s TRP 78 CO 0.38 0.47 -0.02 -0.51 0.02 0.00 0.00 176.95 177.29 2inn s LEU 79 N -3.58 2.02 -0.24 2.99 1.02 0.10 -3.22 118.68 117.77 2inn s LEU 79 Ca 0.32 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.39 2inn s LEU 79 Cb 0.04 -0.10 0.03 0.00 0.02 0.00 0.00 46.19 46.18 2inn s LEU 79 CO 0.16 0.01 -0.08 -0.22 0.02 0.00 0.00 176.35 176.24 2inn s LEU 80 N -0.14 3.12 -1.43 1.79 0.20 -0.45 -1.41 118.68 120.36 2inn s LEU 80 Ca -0.00 -0.91 -0.09 0.00 0.69 0.00 0.00 54.13 53.83 2inn s LEU 80 Cb -0.01 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 44.16 2inn s LEU 80 CO -0.00 -0.12 0.94 0.59 -0.29 0.00 0.00 176.35 177.46 2inn n ASN 81 N 4.64 -3.89 0.00 3.68 3.02 -1.26 -0.16 115.26 121.28 2inn n ASN 81 Ca -0.17 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 2inn n ASN 81 Cb 0.47 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 2inn n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2inn n ASP 82 N -2.94 0.00 -4.74 6.41 8.00 -1.26 -5.00 116.55 117.02 2inn n ASP 82 Ca -0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.02 2inn n ASP 82 Cb 0.58 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 2inn n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2inn s GLU 83 N 0.00 4.58 0.54 -1.24 0.41 0.77 -5.00 118.70 118.76 2inn s GLU 83 Ca 0.00 1.21 -0.20 0.00 -0.41 0.00 0.00 54.97 55.57 2inn s GLU 83 Cb 0.00 -3.36 -0.07 0.00 -1.78 0.00 0.00 34.13 28.92 2inn s GLU 83 CO 0.00 0.28 0.92 -2.30 -0.49 0.00 0.00 175.26 173.67 2inn n PRO 84 N 2.69 1.00 -3.72 0.39 -0.02 -1.26 -1.33 135.00 132.74 2inn n PRO 84 Ca -0.01 0.38 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 2inn n PRO 84 Cb 0.50 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 2inn n PRO 84 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2inn s PHE 85 N -1.47 -0.24 -0.21 6.00 5.36 -1.20 -4.71 117.98 121.50 2inn s PHE 85 Ca 0.71 0.34 -0.04 0.00 -0.96 0.00 0.00 56.93 56.98 2inn s PHE 85 Cb -0.46 0.15 0.10 0.00 -0.34 0.00 0.00 43.02 42.47 2inn s PHE 85 CO 0.51 -0.45 0.26 0.95 -1.46 0.00 0.00 175.22 175.03 2inn s THR 86 N -1.59 -0.40 0.13 0.12 -4.23 -1.26 -4.09 115.64 104.31 2inn s THR 86 Ca -0.11 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.13 2inn s THR 86 Cb -0.03 -0.71 -0.07 0.00 1.34 0.00 0.00 72.50 73.02 2inn s THR 86 CO 0.03 -0.18 0.57 -2.16 -0.54 0.00 0.00 174.62 172.34 2inn s PRO 87 N 2.38 4.08 -0.60 3.99 0.05 -1.26 -5.02 135.00 138.63 2inn s PRO 87 Ca 0.08 0.61 -0.23 0.00 0.05 0.00 0.00 61.00 61.52 2inn s PRO 87 Cb -0.16 -3.03 0.06 0.00 0.05 0.00 0.00 34.50 31.42 2inn s PRO 87 CO -0.13 0.52 0.92 0.15 0.05 0.00 0.00 177.00 178.51 2inn s LYS 88 N -1.68 3.21 0.26 4.56 1.02 -1.26 -4.97 119.74 120.88 2inn s LYS 88 Ca 0.35 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.75 2inn s LYS 88 Cb -0.17 -4.14 0.58 0.00 -0.52 0.00 0.00 37.83 33.58 2inn s LYS 88 CO 0.19 -1.61 1.35 0.00 -0.92 0.00 0.00 175.35 174.36 2inn n ALA 89 N 7.45 0.37 -1.12 5.17 0.00 -1.26 -1.58 120.51 129.53 2inn n ALA 89 Ca -0.02 0.93 0.03 0.00 0.00 0.00 0.00 53.44 54.39 2inn n ALA 89 Cb 0.46 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.52 2inn n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2inn n ASP 90 N -5.30 3.60 -4.85 0.00 8.00 -1.26 -2.26 116.55 114.48 2inn n ASP 90 Ca 0.18 -3.24 -0.33 0.00 0.71 0.00 0.00 54.79 52.11 2inn n ASP 90 Cb 0.59 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2inn n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2inn s ALA 91 N -2.96 3.34 1.16 2.24 0.00 -0.61 -4.92 121.76 120.00 2inn s ALA 91 Ca 0.44 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 2inn s ALA 91 Cb 0.37 -2.76 0.27 0.00 0.00 0.00 0.00 23.12 21.00 2inn s ALA 91 CO 0.07 0.34 1.04 -1.54 0.00 0.00 0.00 175.76 175.67 2inn s SER 92 N -2.24 1.12 -0.05 0.00 1.04 -1.26 -2.51 113.70 109.80 2inn s SER 92 Ca 0.53 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 58.01 2inn s SER 92 Cb -0.11 -1.93 -0.15 0.00 0.10 0.00 0.00 66.02 63.93 2inn s SER 92 CO 0.18 -4.07 0.82 -0.07 0.98 0.00 0.00 173.24 171.08 2inn h LEU 93 N -2.54 -0.20 -0.70 2.42 4.07 -1.50 -3.10 115.31 113.77 2inn h LEU 93 Ca -0.57 -0.33 0.08 0.00 0.08 0.00 0.00 57.88 57.14 2inn h LEU 93 Cb 1.34 0.05 -0.11 0.00 1.08 0.00 0.00 40.66 43.02 2inn h LEU 93 CO 0.50 0.36 -0.52 0.50 -1.08 0.00 0.00 178.44 178.20 2inn h LYS 94 N -0.89 -0.18 -0.23 1.13 3.64 -0.31 -0.93 116.57 118.80 2inn h LYS 94 Ca -0.02 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2inn h LYS 94 Cb 0.51 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2inn h LYS 94 CO 0.04 -0.12 -0.24 1.05 -2.27 0.00 0.00 179.45 177.91 2inn h GLU 95 N -0.19 0.43 -0.90 1.90 4.11 -1.81 -0.26 114.58 117.86 2inn h GLU 95 Ca 0.16 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2inn h GLU 95 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2inn h GLU 95 CO -0.77 0.64 0.00 0.00 0.07 0.00 0.00 179.01 178.95 2inn n GLN 96 N -4.14 1.11 -0.72 1.06 10.64 -0.42 -4.84 117.38 120.07 2inn n GLN 96 Ca -0.00 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2inn n GLN 96 Cb 0.39 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 2inn n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2inn n GLY 97 N 0.06 0.59 3.44 2.61 0.00 -0.11 -5.01 105.19 106.78 2inn n GLY 97 Ca 0.01 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 2inn n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2inn s ILE 98 N -2.00 5.08 0.49 -0.61 1.01 -0.84 -5.03 121.20 119.31 2inn s ILE 98 Ca 0.00 -2.46 0.05 0.00 0.00 0.00 0.00 60.65 58.24 2inn s ILE 98 Cb 0.00 -4.83 0.03 0.00 0.01 0.00 0.00 42.46 37.66 2inn s ILE 98 CO 0.00 -1.53 0.68 1.51 0.00 0.00 0.00 174.94 175.60 2inn s ASP 99 N 2.85 5.42 0.03 3.58 1.47 -1.26 -4.08 116.67 124.69 2inn s ASP 99 Ca 0.38 -0.25 -0.39 0.00 1.18 0.00 0.00 52.55 53.47 2inn s ASP 99 Cb -0.04 -0.69 -0.19 0.00 -0.34 0.00 0.00 42.92 41.66 2inn s ASP 99 CO -0.03 -0.99 1.15 1.57 0.68 0.00 0.00 175.17 177.55 2inn n HIS 100 N -2.12 0.92 -1.25 2.11 -0.00 -1.26 -0.48 115.22 113.14 2inn n HIS 100 Ca 0.09 0.91 -0.08 0.00 -0.00 0.00 0.00 57.72 58.63 2inn n HIS 100 Cb 0.59 -2.17 -0.04 0.00 -0.00 0.00 0.00 29.99 28.38 2inn n HIS 100 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2inn n LYS 101 N 1.83 -1.65 0.00 1.57 5.02 0.13 -4.90 118.16 120.16 2inn n LYS 101 Ca 0.19 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 2inn n LYS 101 Cb 0.12 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 2inn n LYS 101 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2inn n SER 102 N -1.03 0.00 -3.73 4.39 7.64 0.37 -4.77 113.62 116.48 2inn n SER 102 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 2inn n SER 102 Cb 0.54 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 2inn n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2inn s LEU 104 N 0.00 0.37 -0.21 -3.43 1.43 0.18 -0.77 118.68 116.24 2inn s LEU 104 Ca 0.00 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.72 2inn s LEU 104 Cb 0.00 1.09 -0.04 0.00 0.03 0.00 0.00 46.19 47.27 2inn s LEU 104 CO 0.00 -0.16 0.10 -0.89 0.23 0.00 0.00 176.35 175.63 2inn s THR 105 N 0.88 4.92 -0.30 5.49 2.01 -0.50 -1.23 115.64 126.91 2inn s THR 105 Ca -0.06 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2inn s THR 105 Cb -0.07 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 69.24 2inn s THR 105 CO -0.06 0.40 0.01 0.54 -0.69 0.00 0.00 174.62 174.82 2inn s VAL 106 N 0.78 2.99 -0.06 3.82 0.11 -0.87 0.02 120.40 127.17 2inn s VAL 106 Ca 0.05 -1.42 -0.09 0.00 -2.93 0.00 0.00 61.98 57.59 2inn s VAL 106 Cb -0.13 -2.74 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 2inn s VAL 106 CO 0.02 -0.13 0.24 -0.89 -3.33 0.00 0.00 175.10 171.00 2inn s THR 107 N 1.24 5.34 -0.44 5.04 2.01 0.13 -4.12 115.64 124.84 2inn s THR 107 Ca -0.05 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.35 2inn s THR 107 Cb -0.20 -3.52 0.12 0.00 0.01 0.00 0.00 72.50 68.91 2inn s THR 107 CO -0.01 0.55 0.18 0.28 -0.69 0.00 0.00 174.62 174.92 2inn s THR 108 N -1.10 2.37 0.63 -0.82 -1.32 -1.26 -2.50 115.64 111.63 2inn s THR 108 Ca 0.20 -2.87 -0.14 0.00 -1.21 0.00 0.00 61.69 57.67 2inn s THR 108 Cb -0.13 -2.69 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 2inn s THR 108 CO 0.09 -0.73 1.05 -2.16 -2.21 0.00 0.00 174.62 170.66 2inn s PRO 109 N 0.23 3.27 0.00 7.08 0.04 -1.26 -2.64 135.00 141.72 2inn s PRO 109 Ca 0.15 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2inn s PRO 109 Cb -0.23 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2inn s PRO 109 CO -0.04 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2inn n GLY 110 N -1.57 2.88 2.97 0.56 0.00 -1.26 -4.95 105.19 103.83 2inn n GLY 110 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2inn n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2inn s LEU 111 N 0.00 4.46 -0.21 0.99 1.43 -1.08 -5.03 118.68 119.24 2inn s LEU 111 Ca 0.00 -2.76 0.12 0.00 -1.03 0.00 0.00 54.13 50.46 2inn s LEU 111 Cb 0.00 -1.64 0.42 0.00 0.03 0.00 0.00 46.19 45.00 2inn s LEU 111 CO 0.00 -0.28 1.26 2.29 0.23 0.00 0.00 176.35 179.86 2inn n LYS 112 N 3.45 1.64 0.00 1.70 2.85 -1.26 -4.76 118.16 121.78 2inn n LYS 112 Ca 0.05 -3.12 0.00 0.00 -1.05 0.00 0.00 58.31 54.19 2inn n LYS 112 Cb 0.35 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 2inn n LYS 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2inn n GLY 113 N -1.16 1.98 0.08 2.58 0.00 -1.21 -3.85 105.19 103.62 2inn n GLY 113 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2inn n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2inn n ALA 115 N 8.12 0.00 -3.31 4.61 0.00 -1.26 -4.76 120.51 123.91 2inn n ALA 115 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2inn n ALA 115 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2inn n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2inn n ASN 116 N 0.00 -5.81 -1.61 0.00 5.03 -1.26 -4.90 115.26 106.71 2inn n ASN 116 Ca 0.00 -0.42 -0.02 0.00 0.87 0.00 0.00 54.58 55.01 2inn n ASN 116 Cb 0.00 -4.66 0.08 0.00 -1.02 0.00 0.00 39.78 34.18 2inn n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2inn n ALA 117 N -4.06 3.34 -2.29 5.41 0.00 -1.26 -5.01 120.51 116.63 2inn n ALA 117 Ca -0.05 -3.01 -0.01 0.00 0.00 0.00 0.00 53.44 50.37 2inn n ALA 117 Cb 0.59 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 2inn n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2inn n GLY 118 N -0.45 -0.42 0.61 0.00 0.00 -1.25 -4.88 105.19 98.79 2inn n GLY 118 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2inn n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30