#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inp s VAL 3 N 0.00 4.07 0.07 2.46 1.01 -1.26 -5.02 120.40 121.73 2inp s VAL 3 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.24 2inp s VAL 3 Cb 0.00 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2inp s VAL 3 CO 0.00 0.09 0.65 0.20 0.00 0.00 0.00 175.10 176.04 2inp s ASN 4 N 1.16 7.13 0.20 3.32 0.01 -1.26 -4.91 114.94 120.59 2inp s ASN 4 Ca 0.58 1.34 -0.23 0.00 -0.71 0.00 0.00 52.86 53.85 2inp s ASN 4 Cb -0.29 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.02 2inp s ASN 4 CO 0.28 0.18 0.70 0.00 -1.51 0.00 0.00 177.10 176.75 2inp s ALA 5 N -0.74 -1.44 -1.05 0.60 0.00 -1.26 -5.03 121.76 112.82 2inp s ALA 5 Ca 0.32 0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.52 2inp s ALA 5 Cb -0.20 0.82 0.48 0.00 0.00 0.00 0.00 23.12 24.23 2inp s ALA 5 CO 0.21 -0.91 1.31 -0.11 0.00 0.00 0.00 175.76 176.26 2inp n LEU 6 N -0.42 3.47 -3.83 0.00 7.94 -1.26 -4.91 117.00 118.00 2inp n LEU 6 Ca -0.10 -1.75 -0.04 0.00 -1.11 0.00 0.00 56.01 53.01 2inp n LEU 6 Cb 0.62 -0.51 0.01 0.00 0.53 0.00 0.00 43.42 44.07 2inp n LEU 6 CO 0.13 0.54 0.75 -0.72 -1.11 0.00 0.00 177.39 176.98 2inp s TYR 7 N -1.85 0.01 -0.53 1.96 -0.85 -1.26 -5.09 117.35 109.74 2inp s TYR 7 Ca 0.33 -0.41 -0.27 0.00 -0.52 0.00 0.00 57.07 56.20 2inp s TYR 7 Cb 0.23 0.70 -0.01 0.00 0.38 0.00 0.00 41.96 43.26 2inp s TYR 7 CO 0.14 -0.97 1.66 0.34 -1.52 0.00 0.00 175.55 175.20 2inp s ASP 8 N -3.21 5.75 -0.88 -0.18 2.15 -1.26 -4.91 116.67 114.13 2inp s ASP 8 Ca 0.18 0.52 -0.19 0.00 0.43 0.00 0.00 52.55 53.49 2inp s ASP 8 Cb -0.02 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.19 2inp s ASP 8 CO 0.05 -1.96 1.08 -0.47 -0.17 0.00 0.00 175.17 173.70 2inp s TYR 9 N 7.37 3.09 -0.05 -5.34 5.04 -1.26 -4.94 117.35 121.25 2inp s TYR 9 Ca 0.64 -1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 53.94 2inp s TYR 9 Cb -0.14 -4.26 0.04 0.00 0.35 0.00 0.00 41.96 37.95 2inp s TYR 9 CO 0.25 -1.48 0.10 0.15 -1.34 0.00 0.00 175.55 173.23 2inp s LYS 10 N 2.74 0.01 0.06 4.97 3.01 -1.26 -4.99 119.74 124.28 2inp s LYS 10 Ca 0.30 0.36 0.01 0.00 -1.01 0.00 0.00 55.97 55.63 2inp s LYS 10 Cb -0.07 -0.27 -0.03 0.00 -1.01 0.00 0.00 37.83 36.44 2inp s LYS 10 CO -0.07 -0.22 -0.06 -0.06 0.51 0.00 0.00 175.35 175.45 2inp s PHE 11 N 1.53 0.70 0.38 3.18 0.08 -1.26 -5.14 117.98 117.44 2inp s PHE 11 Ca -0.04 -0.74 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 2inp s PHE 11 Cb -0.12 -0.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.81 2inp s PHE 11 CO -0.05 -0.16 1.30 -1.21 -0.10 0.00 0.00 175.22 175.00 2inp s GLU 12 N -2.74 4.13 0.25 0.44 0.41 -1.26 -4.99 118.70 114.94 2inp s GLU 12 Ca 0.00 2.16 -0.31 0.00 -0.41 0.00 0.00 54.97 56.41 2inp s GLU 12 Cb -0.02 -2.88 -0.13 0.00 -1.78 0.00 0.00 34.13 29.33 2inp s GLU 12 CO -0.03 -0.36 1.55 -2.30 -0.49 0.00 0.00 175.26 173.63 2inp n PRO 13 N 0.39 2.43 0.02 0.39 -0.02 -1.26 -4.92 135.00 132.03 2inp n PRO 13 Ca 0.02 0.87 0.03 0.00 -2.02 0.00 0.00 63.50 62.40 2inp n PRO 13 Cb 0.43 -2.61 0.41 0.00 -0.02 0.00 0.00 33.50 31.71 2inp n PRO 13 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2inp h LYS 14 N 4.97 0.49 -0.81 -0.52 1.79 -2.08 -3.28 116.57 117.13 2inp h LYS 14 Ca -0.46 -0.05 -0.55 0.00 -2.18 0.00 0.00 60.65 57.42 2inp h LYS 14 Cb 1.24 -0.10 -0.31 0.00 -1.58 0.00 0.00 32.23 31.48 2inp h LYS 14 CO 0.81 0.37 0.12 -0.25 -1.08 0.00 0.00 179.45 179.42 2inp n ASP 15 N -4.43 5.65 -4.70 0.86 10.43 -1.26 -4.91 116.55 118.18 2inp n ASP 15 Ca 0.02 -3.77 -0.43 0.00 2.57 0.00 0.00 54.79 53.18 2inp n ASP 15 Cb 0.11 -0.69 -0.02 0.00 1.84 0.00 0.00 41.12 42.35 2inp n ASP 15 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2inp n LYS 16 N -0.89 2.32 -0.60 -1.24 5.02 -1.24 -4.87 118.16 116.66 2inp n LYS 16 Ca 0.52 0.82 0.47 0.00 -2.02 0.00 0.00 58.31 58.10 2inp n LYS 16 Cb 0.90 -2.53 0.78 0.00 -0.02 0.00 0.00 35.03 34.16 2inp n LYS 16 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2inp h VAL 17 N 3.14 0.10 0.00 -0.18 3.04 -1.94 0.14 116.25 120.55 2inp h VAL 17 Ca -0.46 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 2inp h VAL 17 Cb 1.25 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2inp h VAL 17 CO 0.76 0.00 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.94 2inp h GLU 18 N 0.01 0.00 -0.00 4.17 3.07 -1.91 -2.44 114.58 117.48 2inp h GLU 18 Ca 0.85 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.71 2inp h GLU 18 Cb 3.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 31.22 2inp h GLU 18 CO -0.08 0.05 -0.12 0.09 -1.40 0.00 0.00 179.01 177.56 2inp n ASN 19 N -3.30 0.57 -1.76 1.42 3.02 0.49 -4.21 115.26 111.50 2inp n ASN 19 Ca -0.01 -0.68 0.03 0.00 -0.03 0.00 0.00 54.58 53.88 2inp n ASN 19 Cb 0.22 -0.04 0.34 0.00 -0.61 0.00 0.00 39.78 39.69 2inp n ASN 19 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2inp n PHE 20 N -0.86 2.01 -3.55 3.10 3.72 -0.92 -4.94 117.46 116.02 2inp n PHE 20 Ca 0.15 -0.94 -0.26 0.00 -0.05 0.00 0.00 57.45 56.34 2inp n PHE 20 Cb 0.28 -0.54 0.03 0.00 -0.94 0.00 0.00 39.48 38.30 2inp n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2inp n HIS 21 N 0.12 -2.17 0.00 1.38 8.25 -1.26 -0.34 115.22 121.19 2inp n HIS 21 Ca 0.32 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.50 2inp n HIS 21 Cb 1.22 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 28.38 2inp n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2inp n GLY 22 N -1.56 3.07 4.03 -1.41 0.00 -1.26 -5.06 105.19 102.99 2inp n GLY 22 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2inp n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2inp s MET 23 N -0.98 2.43 0.33 1.61 -1.94 0.53 -4.55 119.30 116.73 2inp s MET 23 Ca 0.00 -1.56 0.08 0.00 -1.71 0.00 0.00 55.69 52.50 2inp s MET 23 Cb 0.00 -2.66 -0.06 0.00 2.01 0.00 0.00 34.83 34.11 2inp s MET 23 CO 0.00 -0.71 -0.06 -0.65 -0.01 0.00 0.00 175.02 173.59 2inp s GLN 24 N -4.58 1.75 0.01 2.03 -0.21 -0.71 -4.61 119.66 113.34 2inp s GLN 24 Ca 0.60 -1.92 0.01 0.00 0.02 0.00 0.00 55.36 54.06 2inp s GLN 24 Cb -0.07 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 2inp s GLN 24 CO 0.37 0.06 0.07 -0.51 -2.12 0.00 0.00 175.29 173.16 2inp s LEU 25 N -3.57 3.84 -0.02 2.90 1.43 -1.26 -1.96 118.68 120.04 2inp s LEU 25 Ca 0.32 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 2inp s LEU 25 Cb 0.04 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2inp s LEU 25 CO 0.15 0.25 0.07 -0.22 0.23 0.00 0.00 176.35 176.83 2inp s LEU 26 N -1.85 1.76 -0.04 1.79 2.96 -0.50 -0.49 118.68 122.32 2inp s LEU 26 Ca 0.24 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2inp s LEU 26 Cb -0.12 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 2inp s LEU 26 CO 0.15 -0.10 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.63 2inp s TYR 27 N -0.31 2.70 -0.06 5.38 2.02 -0.22 -0.10 117.35 126.75 2inp s TYR 27 Ca -0.04 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2inp s TYR 27 Cb -0.03 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2inp s TYR 27 CO 0.00 0.21 -0.11 0.08 -1.57 0.00 0.00 175.55 174.15 2inp s VAL 28 N -0.77 1.05 -0.23 0.71 1.01 -0.95 -0.87 120.40 120.35 2inp s VAL 28 Ca 0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2inp s VAL 28 Cb -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2inp s VAL 28 CO 0.01 0.33 -0.11 -0.47 0.00 0.00 0.00 175.10 174.87 2inp s TYR 29 N 0.60 2.99 -0.48 5.22 6.04 0.01 -1.26 117.35 130.47 2inp s TYR 29 Ca -0.13 -1.62 -0.08 0.00 0.04 0.00 0.00 57.07 55.29 2inp s TYR 29 Cb -0.15 -2.01 0.12 0.00 -1.04 0.00 0.00 41.96 38.89 2inp s TYR 29 CO 0.03 -0.75 0.35 -0.46 -1.54 0.00 0.00 175.55 173.17 2inp s TRP 30 N 1.30 3.46 0.66 4.97 -0.00 -1.26 -2.24 118.94 125.84 2inp s TRP 30 Ca 0.01 -2.01 -0.17 0.00 -0.00 0.00 0.00 56.10 53.93 2inp s TRP 30 Cb -0.16 -3.46 -0.02 0.00 -0.00 0.00 0.00 33.47 29.83 2inp s TRP 30 CO -0.07 -0.98 0.95 -2.30 -0.00 0.00 0.00 176.95 174.55 2inp n PRO 31 N 4.74 0.70 -1.40 5.86 -0.02 -1.26 -3.31 135.00 140.31 2inp n PRO 31 Ca -0.05 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2inp n PRO 31 Cb 0.41 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2inp n PRO 31 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2inp n ASP 32 N -1.19 -4.72 -2.67 2.55 8.00 -1.26 -4.87 116.55 112.39 2inp n ASP 32 Ca 0.13 0.34 -0.16 0.00 0.71 0.00 0.00 54.79 55.82 2inp n ASP 32 Cb 0.49 -3.45 0.01 0.00 -0.02 0.00 0.00 41.12 38.15 2inp n ASP 32 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2inp n HIS 33 N -2.58 1.83 0.00 1.24 8.25 -0.53 -2.90 115.22 120.53 2inp n HIS 33 Ca -0.14 -3.02 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 2inp n HIS 33 Cb 0.46 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2inp n HIS 33 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2inp n LEU 34 N -0.16 0.00 -0.21 2.41 4.77 0.79 -2.17 117.00 122.43 2inp n LEU 34 Ca 0.20 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 2inp n LEU 34 Cb 0.74 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.93 2inp n LEU 34 CO 0.28 0.00 1.05 0.25 -1.33 0.00 0.00 177.39 177.65 2inp h LEU 35 N 0.00 0.44 -8.80 2.23 5.85 -1.83 -3.26 115.31 109.94 2inp h LEU 35 Ca 0.00 0.04 -0.60 0.00 0.84 0.00 0.00 57.88 58.16 2inp h LEU 35 Cb 0.00 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 40.89 2inp h LEU 35 CO 0.00 0.28 0.54 -0.36 -0.34 0.00 0.00 178.44 178.56 2inp s PHE 36 N -6.10 3.07 0.44 1.25 0.40 -0.92 -4.96 117.98 111.17 2inp s PHE 36 Ca -0.13 0.66 0.33 0.00 -0.60 0.00 0.00 56.93 57.20 2inp s PHE 36 Cb 0.16 -3.63 1.74 0.00 0.51 0.00 0.00 43.02 41.80 2inp s PHE 36 CO 0.75 -0.84 2.16 0.00 0.70 0.00 0.00 175.22 177.99 2inp s ALA 38 N -4.13 -0.77 0.43 0.00 0.00 -1.26 -5.02 121.76 111.02 2inp s ALA 38 Ca -0.03 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 2inp s ALA 38 Cb 0.13 0.27 -0.10 0.00 0.00 0.00 0.00 23.12 23.42 2inp s ALA 38 CO 0.53 -0.39 0.94 -2.30 0.00 0.00 0.00 175.76 174.54 2inp n PRO 39 N 0.70 1.20 -2.15 0.00 -0.02 -1.26 -4.94 135.00 128.53 2inp n PRO 39 Ca -0.19 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 2inp n PRO 39 Cb 0.59 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 2inp n PRO 39 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2inp s PHE 40 N -1.32 2.57 -0.23 6.00 0.08 -0.39 -4.84 117.98 119.86 2inp s PHE 40 Ca 0.64 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 59.19 2inp s PHE 40 Cb -0.56 -3.35 -0.00 0.00 -0.57 0.00 0.00 43.02 38.54 2inp s PHE 40 CO 0.56 -1.80 -0.04 0.00 -0.10 0.00 0.00 175.22 173.84 2inp s ALA 41 N -1.73 2.82 -0.03 5.36 0.00 -1.26 -2.25 121.76 124.66 2inp s ALA 41 Ca 0.74 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 51.54 2inp s ALA 41 Cb -0.26 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2inp s ALA 41 CO 0.30 -0.49 -0.16 -0.51 0.00 0.00 0.00 175.76 174.90 2inp s LEU 42 N 1.47 2.64 -0.29 0.00 1.43 0.85 -4.98 118.68 119.81 2inp s LEU 42 Ca 0.05 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2inp s LEU 42 Cb -0.15 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2inp s LEU 42 CO -0.03 0.32 0.08 -0.22 0.23 0.00 0.00 176.35 176.73 2inp s LEU 43 N -0.87 3.75 0.02 1.79 2.96 -1.26 -1.40 118.68 123.67 2inp s LEU 43 Ca 0.12 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2inp s LEU 43 Cb -0.11 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2inp s LEU 43 CO 0.01 -0.16 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.16 2inp s VAL 44 N 1.52 0.18 -0.02 1.68 1.01 -0.83 -4.97 120.40 118.96 2inp s VAL 44 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2inp s VAL 44 Cb -0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 2inp s VAL 44 CO 0.02 -0.32 1.51 -1.10 0.00 0.00 0.00 175.10 175.21 2inp s GLN 45 N -1.05 4.23 0.39 2.72 -1.52 -1.26 -1.73 119.66 121.44 2inp s GLN 45 Ca -0.10 2.06 0.06 0.00 -1.95 0.00 0.00 55.36 55.43 2inp s GLN 45 Cb -0.07 -3.73 0.80 0.00 -0.22 0.00 0.00 33.01 29.79 2inp s GLN 45 CO -0.00 -0.70 2.03 -1.00 -0.25 0.00 0.00 175.29 175.37 2inp h PRO 46 N 8.49 0.58 0.00 2.91 0.13 -1.93 -2.61 132.00 139.57 2inp h PRO 46 Ca -0.38 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2inp h PRO 46 Cb 1.17 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2inp h PRO 46 CO 0.93 0.40 -0.30 0.78 -0.23 0.00 0.00 178.00 179.58 2inp h GLY 47 N 0.63 0.00 -2.60 1.56 0.00 -1.94 -1.27 103.07 99.44 2inp h GLY 47 Ca 0.16 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.92 2inp h GLY 47 CO -0.03 0.00 -0.29 -0.13 0.00 0.00 0.00 176.54 176.09 2inp n MET 48 N -3.88 0.39 -2.82 4.80 0.00 -0.99 -4.52 117.12 110.09 2inp n MET 48 Ca -0.02 0.17 -0.24 0.00 -0.00 0.00 0.00 57.70 57.61 2inp n MET 48 Cb 0.38 -1.89 0.01 0.00 0.00 0.00 0.00 33.22 31.72 2inp n MET 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2inp s THR 49 N -1.85 4.08 0.21 1.12 -4.23 -1.26 -1.27 115.64 112.44 2inp s THR 49 Ca 0.68 -0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 2inp s THR 49 Cb -0.36 -3.54 0.19 0.00 1.34 0.00 0.00 72.50 70.13 2inp s THR 49 CO 0.56 -0.44 1.68 0.15 -0.54 0.00 0.00 174.62 176.03 2inp h PHE 50 N 0.26 0.06 0.03 3.99 3.04 -1.37 -1.35 116.94 121.59 2inp h PHE 50 Ca -0.46 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.32 2inp h PHE 50 Cb 1.25 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2inp h PHE 50 CO 0.47 -0.12 -0.96 0.66 -2.02 0.00 0.00 178.31 176.34 2inp h SER 51 N 0.17 0.23 -0.56 0.41 4.64 -1.85 0.15 113.55 116.73 2inp h SER 51 Ca 0.33 -0.21 0.09 0.00 -0.47 0.00 0.00 61.79 61.53 2inp h SER 51 Cb 0.52 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.47 2inp h SER 51 CO -0.49 1.06 0.19 0.00 -0.87 0.00 0.00 176.83 176.72 2inp h ALA 52 N 0.92 0.70 -0.21 5.18 0.00 -1.81 0.19 119.26 124.23 2inp h ALA 52 Ca -0.05 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2inp h ALA 52 Cb 1.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2inp h ALA 52 CO 0.14 -0.22 0.08 1.25 0.00 0.00 0.00 179.25 180.50 2inp h LEU 53 N 0.36 0.10 -0.79 0.00 5.85 -0.55 0.67 115.31 120.95 2inp h LEU 53 Ca 0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2inp h LEU 53 Cb 0.35 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2inp h LEU 53 CO -0.30 0.09 0.50 0.58 -0.34 0.00 0.00 178.44 178.97 2inp h VAL 54 N 0.19 1.21 0.14 1.05 2.07 -0.40 -0.55 116.25 119.95 2inp h VAL 54 Ca 0.09 -0.44 -0.35 0.00 0.82 0.00 0.00 66.70 66.82 2inp h VAL 54 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2inp h VAL 54 CO -0.08 0.22 -1.86 0.44 0.02 0.00 0.00 177.57 176.30 2inp h ASP 55 N 1.08 0.46 0.86 0.57 3.32 -0.48 0.14 116.42 122.37 2inp h ASP 55 Ca 0.29 -0.86 -0.23 0.00 0.02 0.00 0.00 57.03 56.25 2inp h ASP 55 Cb -0.08 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2inp h ASP 55 CO -0.06 1.75 -1.19 -0.33 -1.72 0.00 0.00 179.24 177.69 2inp h GLU 56 N 0.08 0.00 0.00 3.56 5.08 0.23 -3.41 114.58 120.12 2inp h GLU 56 Ca -0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2inp h GLU 56 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 2inp h GLU 56 CO 0.12 0.86 -0.01 -0.89 -1.00 0.00 0.00 179.01 178.10 2inp n ILE 57 N -3.27 1.21 0.10 3.13 2.08 -1.11 -4.76 119.36 116.74 2inp n ILE 57 Ca -0.05 0.40 -0.13 0.00 0.56 0.00 0.00 62.75 63.53 2inp n ILE 57 Cb 0.97 -1.58 -0.08 0.00 -0.75 0.00 0.00 39.64 38.20 2inp n ILE 57 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2inp h LEU 58 N -0.01 -0.18 -0.18 1.39 5.85 -1.13 -2.38 115.31 118.68 2inp h LEU 58 Ca 0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2inp h LEU 58 Cb 0.01 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2inp h LEU 58 CO 0.00 0.03 0.11 0.50 -0.34 0.00 0.00 178.44 178.73 2inp h LYS 59 N -0.38 0.24 -0.57 1.25 3.64 -0.95 -2.29 116.57 117.50 2inp h LYS 59 Ca -0.02 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2inp h LYS 59 Cb 0.30 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 2inp h LYS 59 CO 0.04 0.21 -0.39 -1.35 -2.27 0.00 0.00 179.45 175.68 2inp h PRO 60 N 0.21 -0.20 -0.07 1.90 0.11 -1.79 0.06 132.00 132.22 2inp h PRO 60 Ca 0.06 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.21 2inp h PRO 60 Cb 0.03 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2inp h PRO 60 CO -0.01 -0.13 0.05 0.00 -0.21 0.00 0.00 178.00 177.69 2inp h ALA 61 N 0.76 1.96 0.00 -0.75 0.00 -1.16 -1.23 119.26 118.84 2inp h ALA 61 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2inp h ALA 61 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2inp h ALA 61 CO -0.67 -0.08 -0.92 0.25 0.00 0.00 0.00 179.25 177.82 2inp n THR 62 N -4.37 0.01 -0.32 0.00 -2.24 -0.89 -4.62 114.28 101.85 2inp n THR 62 Ca -0.01 -0.03 0.23 0.00 -2.27 0.00 0.00 64.05 61.97 2inp n THR 62 Cb 0.16 0.78 0.45 0.00 -2.10 0.00 0.00 70.33 69.61 2inp n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2inp h ALA 63 N 2.95 1.81 0.00 6.98 0.00 0.27 -1.80 119.26 129.47 2inp h ALA 63 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2inp h ALA 63 Cb 0.52 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2inp h ALA 63 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.60 2inp h ALA 64 N 1.89 1.00 -2.78 0.00 0.00 -1.82 -3.42 119.26 114.14 2inp h ALA 64 Ca 0.72 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 55.05 2inp h ALA 64 Cb 1.67 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 2inp h ALA 64 CO -0.68 0.00 -0.02 -1.58 0.00 0.00 0.00 179.25 176.96 2inp s HIS 65 N -3.85 3.49 0.33 0.00 5.04 -0.68 -4.98 115.29 114.64 2inp s HIS 65 Ca -0.02 0.97 0.09 0.00 -1.54 0.00 0.00 55.06 54.55 2inp s HIS 65 Cb 0.10 -2.67 0.97 0.00 0.04 0.00 0.00 32.58 31.02 2inp s HIS 65 CO 0.39 0.05 1.58 -1.35 -2.34 0.00 0.00 174.74 173.07 2inp h PRO 66 N 6.96 0.03 0.00 2.88 0.10 -1.89 0.78 132.00 140.86 2inp h PRO 66 Ca -0.38 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.71 2inp h PRO 66 Cb 1.17 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.27 2inp h PRO 66 CO 0.76 0.02 0.00 -0.25 0.10 0.00 0.00 178.00 178.63 2inp n ASP 67 N -5.37 0.00 0.19 -2.05 9.92 -1.26 -3.88 116.55 114.10 2inp n ASP 67 Ca 0.28 0.47 0.05 0.00 -0.53 0.00 0.00 54.79 55.06 2inp n ASP 67 Cb 0.94 -0.48 0.39 0.00 -0.64 0.00 0.00 41.12 41.33 2inp n ASP 67 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2inp h SER 68 N 0.00 0.00 0.43 -2.24 0.87 -1.09 -0.98 113.55 110.54 2inp h SER 68 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2inp h SER 68 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2inp h SER 68 CO 0.00 0.36 -0.21 0.00 -0.53 0.00 0.00 176.83 176.45 2inp h ALA 69 N 1.64 -0.72 0.00 6.23 0.00 -1.77 -3.28 119.26 121.37 2inp h ALA 69 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2inp h ALA 69 Cb 0.71 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2inp h ALA 69 CO 0.05 -0.68 0.00 1.63 0.00 0.00 0.00 179.25 180.25 2inp n LYS 70 N -4.46 0.08 -2.84 0.00 5.02 -1.16 -4.71 118.16 110.10 2inp n LYS 70 Ca -0.07 0.46 -0.40 0.00 -2.02 0.00 0.00 58.31 56.28 2inp n LYS 70 Cb 0.23 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 2inp n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2inp s ALA 71 N -3.23 3.32 -0.70 7.82 0.00 -0.38 -5.00 121.76 123.59 2inp s ALA 71 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2inp s ALA 71 Cb 0.06 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 20.21 2inp s ALA 71 CO 0.21 0.08 0.52 0.34 0.00 0.00 0.00 175.76 176.91 2inp s ASP 72 N -0.34 5.23 1.03 0.00 2.15 -1.26 -4.97 116.67 118.51 2inp s ASP 72 Ca 0.42 -3.34 -0.11 0.00 0.43 0.00 0.00 52.55 49.95 2inp s ASP 72 Cb -0.23 -1.79 0.21 0.00 -0.30 0.00 0.00 42.92 40.81 2inp s ASP 72 CO 0.28 -0.24 1.09 -0.36 -0.17 0.00 0.00 175.17 175.77 2inp s PHE 73 N -0.76 1.52 0.00 -5.34 0.08 -1.26 -2.32 117.98 109.90 2inp s PHE 73 Ca 0.22 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.77 2inp s PHE 73 Cb -0.14 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 2inp s PHE 73 CO -0.08 -3.28 0.00 -0.11 -0.10 0.00 0.00 175.22 171.65 2inp n LEU 74 N -4.54 0.00 -0.68 -0.37 -0.00 -1.26 -4.50 117.00 105.66 2inp n LEU 74 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.15 2inp n LEU 74 Cb 0.53 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.12 2inp n LEU 74 CO 0.53 0.00 0.64 0.59 -0.00 0.00 0.00 177.39 179.15 2inp n ASN 75 N 2.41 3.05 -4.88 1.96 3.02 -1.23 -4.88 115.26 114.71 2inp n ASN 75 Ca 0.00 -2.11 -0.29 0.00 -0.03 0.00 0.00 54.58 52.15 2inp n ASN 75 Cb 0.00 -0.27 0.09 0.00 -0.61 0.00 0.00 39.78 38.99 2inp n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inp s ALA 76 N -1.20 2.60 -0.08 5.41 0.00 -0.98 -5.04 121.76 122.46 2inp s ALA 76 Ca 0.26 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2inp s ALA 76 Cb 0.15 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 2inp s ALA 76 CO 0.15 -1.65 0.99 -1.21 0.00 0.00 0.00 175.76 174.05 2inp s GLU 77 N -5.50 4.45 0.19 0.00 2.02 -0.38 -4.87 118.70 114.61 2inp s GLU 77 Ca 0.61 1.38 0.09 0.00 0.02 0.00 0.00 54.97 57.07 2inp s GLU 77 Cb -0.11 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2inp s GLU 77 CO 0.50 -0.26 -0.07 -1.58 0.02 0.00 0.00 175.26 173.87 2inp s TRP 78 N 1.79 2.66 0.00 1.61 0.52 -1.26 0.19 118.94 124.47 2inp s TRP 78 Ca 0.49 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.42 2inp s TRP 78 Cb -0.19 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2inp s TRP 78 CO 0.20 0.53 -0.09 -0.51 0.02 0.00 0.00 176.95 177.10 2inp s LEU 79 N -2.98 2.05 -0.23 2.99 1.02 0.14 -2.83 118.68 118.83 2inp s LEU 79 Ca 0.26 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.22 2inp s LEU 79 Cb -0.08 -0.44 0.05 0.00 0.02 0.00 0.00 46.19 45.73 2inp s LEU 79 CO 0.16 0.08 -0.11 -0.22 0.02 0.00 0.00 176.35 176.28 2inp s LEU 80 N -0.38 2.85 -1.44 1.79 2.96 0.53 -1.10 118.68 123.88 2inp s LEU 80 Ca 0.02 -1.13 -0.08 0.00 -0.22 0.00 0.00 54.13 52.72 2inp s LEU 80 Cb -0.04 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2inp s LEU 80 CO -0.00 -0.16 0.96 0.59 -1.32 0.00 0.00 176.35 176.43 2inp n ASN 81 N 4.55 -6.25 0.00 3.68 3.02 0.09 -1.20 115.26 119.15 2inp n ASN 81 Ca -0.15 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2inp n ASN 81 Cb 0.45 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2inp n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2inp n ASP 82 N -2.83 0.00 -4.78 6.41 8.00 -1.26 -5.03 116.55 117.06 2inp n ASP 82 Ca -0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.09 2inp n ASP 82 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 2inp n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2inp s GLU 83 N -0.11 4.13 0.10 -1.24 0.41 -0.34 -4.99 118.70 116.64 2inp s GLU 83 Ca 0.00 0.40 -0.36 0.00 -0.41 0.00 0.00 54.97 54.60 2inp s GLU 83 Cb 0.00 -3.32 -0.17 0.00 -1.78 0.00 0.00 34.13 28.85 2inp s GLU 83 CO 0.00 0.44 1.20 -2.30 -0.49 0.00 0.00 175.26 174.11 2inp n PRO 84 N 2.70 0.84 -4.15 0.39 -0.02 -1.26 -0.35 135.00 133.16 2inp n PRO 84 Ca -0.11 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.52 2inp n PRO 84 Cb 0.52 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 2inp n PRO 84 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2inp s PHE 85 N 0.13 0.48 -0.24 6.00 5.36 -1.13 -4.75 117.98 123.83 2inp s PHE 85 Ca 0.82 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.66 2inp s PHE 85 Cb -1.00 -0.31 0.07 0.00 -0.34 0.00 0.00 43.02 41.45 2inp s PHE 85 CO 0.51 -0.01 0.02 0.95 -1.46 0.00 0.00 175.22 175.22 2inp s THR 86 N -0.23 1.04 0.56 0.12 -4.23 -1.26 -4.15 115.64 107.48 2inp s THR 86 Ca 0.01 -1.07 -0.18 0.00 -1.18 0.00 0.00 61.69 59.27 2inp s THR 86 Cb -0.03 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2inp s THR 86 CO -0.00 -0.30 1.08 -2.16 -0.54 0.00 0.00 174.62 172.70 2inp s PRO 87 N 1.60 3.38 -0.51 3.99 0.04 -1.26 -5.00 135.00 137.23 2inp s PRO 87 Ca 0.00 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 2inp s PRO 87 Cb -0.18 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.46 2inp s PRO 87 CO -0.11 -0.79 0.38 0.15 0.04 0.00 0.00 177.00 176.67 2inp s LYS 88 N -3.61 2.54 0.31 4.56 1.02 -1.26 -5.00 119.74 118.30 2inp s LYS 88 Ca 0.68 -1.88 0.06 0.00 0.02 0.00 0.00 55.97 54.85 2inp s LYS 88 Cb -0.19 -3.93 0.85 0.00 -0.52 0.00 0.00 37.83 34.03 2inp s LYS 88 CO 0.30 -1.20 1.62 0.00 -0.92 0.00 0.00 175.35 175.15 2inp h ALA 89 N 8.28 1.45 -0.01 5.17 0.00 -1.96 -0.85 119.26 131.35 2inp h ALA 89 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2inp h ALA 89 Cb 1.06 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2inp h ALA 89 CO 0.84 -0.57 -0.32 -0.25 0.00 0.00 0.00 179.25 178.95 2inp n ASP 90 N -5.27 1.15 -4.81 0.00 8.00 -1.26 -2.93 116.55 111.44 2inp n ASP 90 Ca 0.25 -0.95 -0.35 0.00 0.71 0.00 0.00 54.79 54.45 2inp n ASP 90 Cb 0.82 0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 2inp n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2inp s ALA 91 N -2.54 3.25 1.08 2.24 0.00 -0.32 -4.87 121.76 120.59 2inp s ALA 91 Ca 0.22 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 2inp s ALA 91 Cb 0.19 -3.01 0.21 0.00 0.00 0.00 0.00 23.12 20.51 2inp s ALA 91 CO 0.55 0.23 0.92 -1.13 0.00 0.00 0.00 175.76 176.32 2inp n SER 92 N 0.20 -1.17 -0.04 0.00 3.41 -1.26 -2.14 113.62 112.63 2inp n SER 92 Ca 0.02 0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 2inp n SER 92 Cb 0.52 -1.30 -0.09 0.00 -0.26 0.00 0.00 64.21 63.08 2inp n SER 92 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2inp h LEU 93 N -2.31 0.29 0.12 1.04 4.07 -0.86 -2.98 115.31 114.68 2inp h LEU 93 Ca -0.54 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 56.86 2inp h LEU 93 Cb 1.31 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 2inp h LEU 93 CO 0.44 0.80 -0.25 0.50 -1.08 0.00 0.00 178.44 178.85 2inp h LYS 94 N -0.21 -0.39 0.00 1.13 3.64 -1.35 -1.32 116.57 118.07 2inp h LYS 94 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2inp h LYS 94 Cb 0.75 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2inp h LYS 94 CO 0.04 -0.26 0.11 -0.85 -2.27 0.00 0.00 179.45 176.22 2inp n GLU 95 N -3.89 0.00 -0.31 1.90 0.28 -1.25 0.37 120.64 117.74 2inp n GLU 95 Ca -0.05 0.38 0.09 0.00 -0.16 0.00 0.00 57.16 57.42 2inp n GLU 95 Cb 0.21 -1.61 0.21 0.00 1.43 0.00 0.00 31.44 31.67 2inp n GLU 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2inp n GLN 96 N -1.38 2.46 -1.10 3.44 10.64 -0.85 -4.94 117.38 125.66 2inp n GLN 96 Ca 0.00 -2.67 -0.03 0.00 -1.83 0.00 0.00 57.00 52.46 2inp n GLN 96 Cb 0.11 -1.68 -0.01 0.00 -0.86 0.00 0.00 30.24 27.80 2inp n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2inp n GLY 97 N -0.71 0.64 3.49 2.61 0.00 0.16 -4.98 105.19 106.40 2inp n GLY 97 Ca 0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2inp n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2inp s ILE 98 N -2.11 4.45 0.11 -0.61 1.01 -0.56 -5.03 121.20 118.46 2inp s ILE 98 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.39 2inp s ILE 98 Cb 0.00 -4.87 0.01 0.00 0.01 0.00 0.00 42.46 37.62 2inp s ILE 98 CO 0.00 -1.65 0.12 -0.90 0.00 0.00 0.00 174.94 172.51 2inp n ASP 99 N 7.34 0.85 -4.63 3.58 5.68 -1.26 -3.89 116.55 124.22 2inp n ASP 99 Ca 0.26 -1.33 -0.46 0.00 -0.50 0.00 0.00 54.79 52.76 2inp n ASP 99 Cb 0.50 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.39 2inp n ASP 99 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2inp n HIS 100 N -1.01 2.23 -1.51 2.11 -0.00 -1.26 -1.67 115.22 114.11 2inp n HIS 100 Ca 0.01 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.72 57.53 2inp n HIS 100 Cb 0.12 -2.70 -0.04 0.00 -0.00 0.00 0.00 29.99 27.37 2inp n HIS 100 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2inp n LYS 101 N 7.48 -0.77 -2.09 1.57 5.02 0.36 -4.92 118.16 124.81 2inp n LYS 101 Ca 0.25 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 57.00 2inp n LYS 101 Cb 0.35 -4.78 0.02 0.00 -0.02 0.00 0.00 35.03 30.59 2inp n LYS 101 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2inp s SER 102 N -2.80 5.48 -0.18 4.39 0.01 -0.67 -4.86 113.70 115.07 2inp s SER 102 Ca 0.00 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 59.41 2inp s SER 102 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2inp s SER 102 CO 0.00 -1.38 -0.15 -0.32 0.41 0.00 0.00 173.24 171.80 2inp s MET 103 N -3.52 3.14 -0.08 12.44 1.75 -1.26 -1.06 119.30 130.71 2inp s MET 103 Ca 0.72 -0.76 -0.21 0.00 -1.25 0.00 0.00 55.69 54.18 2inp s MET 103 Cb -0.24 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.71 2inp s MET 103 CO 0.32 -0.14 0.61 -0.51 -0.65 0.00 0.00 175.02 174.65 2inp s LEU 104 N 1.18 4.31 -0.32 4.11 1.43 -0.05 -0.73 118.68 128.61 2inp s LEU 104 Ca 0.02 1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2inp s LEU 104 Cb -0.14 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2inp s LEU 104 CO -0.07 -0.06 0.11 -0.89 0.23 0.00 0.00 176.35 175.67 2inp s THR 105 N 0.70 4.11 -0.26 5.49 2.01 -0.25 -0.81 115.64 126.62 2inp s THR 105 Ca 0.33 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 2inp s THR 105 Cb -0.17 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2inp s THR 105 CO 0.15 -0.02 0.14 0.54 -0.69 0.00 0.00 174.62 174.75 2inp s VAL 106 N 1.51 4.95 -0.15 3.82 0.11 -0.95 0.25 120.40 129.94 2inp s VAL 106 Ca 0.02 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2inp s VAL 106 Cb -0.18 -3.33 -0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2inp s VAL 106 CO 0.04 0.30 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.16 2inp s THR 107 N 1.59 3.73 -0.42 5.04 2.01 0.13 -3.98 115.64 123.73 2inp s THR 107 Ca 0.07 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 2inp s THR 107 Cb -0.15 -2.62 0.09 0.00 0.01 0.00 0.00 72.50 69.82 2inp s THR 107 CO 0.07 0.50 0.25 0.42 -0.69 0.00 0.00 174.62 175.18 2inp s THR 108 N 0.32 4.08 0.41 -0.82 -4.23 -1.26 -1.25 115.64 112.89 2inp s THR 108 Ca -0.05 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 58.76 2inp s THR 108 Cb -0.14 -3.54 -0.10 0.00 1.34 0.00 0.00 72.50 70.06 2inp s THR 108 CO 0.03 -0.54 0.90 -2.16 -0.54 0.00 0.00 174.62 172.31 2inp s PRO 109 N 1.38 4.12 0.00 3.99 0.05 -1.26 -2.59 135.00 140.69 2inp s PRO 109 Ca 0.03 0.97 0.00 0.00 0.05 0.00 0.00 61.00 62.05 2inp s PRO 109 Cb -0.23 -2.24 0.00 0.00 0.05 0.00 0.00 34.50 32.08 2inp s PRO 109 CO 0.01 -0.02 0.00 0.41 0.05 0.00 0.00 177.00 177.45 2inp n GLY 110 N -0.73 3.13 3.15 0.56 0.00 -1.26 -4.96 105.19 105.08 2inp n GLY 110 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2inp n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2inp s LEU 111 N 0.00 5.55 -0.34 0.99 1.43 -1.07 -4.96 118.68 120.28 2inp s LEU 111 Ca 0.00 -2.72 0.07 0.00 -1.03 0.00 0.00 54.13 50.45 2inp s LEU 111 Cb 0.00 -1.93 0.47 0.00 0.03 0.00 0.00 46.19 44.76 2inp s LEU 111 CO 0.00 -0.44 1.40 2.29 0.23 0.00 0.00 176.35 179.83 2inp n LYS 112 N 3.73 2.69 0.00 1.70 2.85 -1.26 -4.70 118.16 123.17 2inp n LYS 112 Ca 0.07 -3.64 0.00 0.00 -1.05 0.00 0.00 58.31 53.69 2inp n LYS 112 Cb 0.40 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 2inp n LYS 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2inp n GLY 113 N -0.92 0.41 3.92 2.58 0.00 -1.18 -4.51 105.19 105.49 2inp n GLY 113 Ca 0.40 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2inp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2inp s MET 114 N 0.00 3.49 -1.26 1.61 -1.94 0.43 -4.57 119.30 117.06 2inp s MET 114 Ca 0.00 -0.35 -0.09 0.00 -1.71 0.00 0.00 55.69 53.54 2inp s MET 114 Cb 0.00 -2.98 0.07 0.00 2.01 0.00 0.00 34.83 33.93 2inp s MET 114 CO 0.00 0.57 0.46 0.00 -0.01 0.00 0.00 175.02 176.04 2inp n ALA 115 N 0.19 -1.05 -1.95 3.03 0.00 -1.26 -1.45 120.51 118.02 2inp n ALA 115 Ca -0.04 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2inp n ALA 115 Cb 0.51 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 2inp n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2inp n ASN 116 N -2.26 -3.31 0.00 0.00 5.03 -1.26 -4.90 115.26 108.56 2inp n ASN 116 Ca -0.02 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.68 2inp n ASN 116 Cb 0.54 -2.97 0.00 0.00 -1.02 0.00 0.00 39.78 36.33 2inp n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2inp n ALA 117 N -1.13 0.00 -2.66 5.41 0.00 -0.53 -5.02 120.51 116.57 2inp n ALA 117 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2inp n ALA 117 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.06 2inp n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2inp n GLY 118 N 5.00 1.69 0.63 0.00 0.00 -1.26 -4.89 105.19 106.37 2inp n GLY 118 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2inp n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30