#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttb n PRO 2 N 0.00 -1.98 0.10 1.61 -0.02 -1.26 -4.65 135.00 128.80 1ttb n PRO 2 Ca 0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1ttb n PRO 2 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1ttb n PRO 2 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ttb n THR 3 N -4.52 0.00 0.00 3.45 -1.04 -1.26 -4.87 114.28 106.04 1ttb n THR 3 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1ttb n THR 3 Cb 0.56 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1ttb n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttb n GLY 4 N -0.65 0.39 0.00 3.41 0.00 -1.26 -4.92 105.19 102.17 1ttb n GLY 4 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ttb n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ttb n THR 5 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.89 114.28 116.40 1ttb n THR 5 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ttb n THR 5 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ttb n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttb n GLY 6 N -0.46 1.30 3.15 1.09 0.00 -1.26 -4.78 105.19 104.24 1ttb n GLY 6 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.91 1ttb n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ttb s GLU 7 N 0.64 0.20 0.00 1.61 -1.05 0.61 -0.33 118.70 120.38 1ttb s GLU 7 Ca 0.00 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1ttb s GLU 7 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1ttb s GLU 7 CO 0.00 -0.38 0.00 0.45 0.95 0.00 0.00 175.26 176.28 1ttb n SER 8 N 5.16 0.00 -0.59 0.83 2.88 -1.16 -4.52 113.62 116.21 1ttb n SER 8 Ca 0.09 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 1ttb n SER 8 Cb 0.57 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.15 1ttb n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ttb n LYS 9 N 0.00 2.21 -1.91 -1.46 4.81 -1.26 -4.80 118.16 115.74 1ttb n LYS 9 Ca 0.00 -1.80 -0.02 0.00 -0.87 0.00 0.00 58.31 55.62 1ttb n LYS 9 Cb 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1ttb n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ttb h PRO 11 N 0.62 0.00 -3.30 0.00 0.13 -1.88 -3.43 132.00 124.14 1ttb h PRO 11 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1ttb h PRO 11 Cb 0.30 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.03 1ttb h PRO 11 CO 0.06 0.14 -0.75 -1.17 -0.23 0.00 0.00 178.00 176.05 1ttb s LEU 12 N -6.46 0.59 0.01 1.56 2.96 -1.26 -0.26 118.68 115.83 1ttb s LEU 12 Ca 0.02 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1ttb s LEU 12 Cb 0.09 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 1ttb s LEU 12 CO 0.62 -0.31 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.79 1ttb s MET 13 N 2.04 1.77 -0.03 1.98 -2.45 0.38 -4.49 119.30 118.50 1ttb s MET 13 Ca 0.02 -0.91 0.06 0.00 -1.25 0.00 0.00 55.69 53.61 1ttb s MET 13 Cb -0.15 -1.80 -0.01 0.00 1.25 0.00 0.00 34.83 34.12 1ttb s MET 13 CO -0.08 0.48 -0.23 0.08 1.05 0.00 0.00 175.02 176.33 1ttb s VAL 14 N -0.65 1.84 -0.05 10.11 1.01 -0.76 -0.68 120.40 131.22 1ttb s VAL 14 Ca 0.09 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1ttb s VAL 14 Cb -0.09 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1ttb s VAL 14 CO 0.00 0.52 -0.11 -0.75 0.00 0.00 0.00 175.10 174.77 1ttb s LYS 15 N -0.36 1.36 -0.05 2.72 2.20 -0.37 -0.69 119.74 124.55 1ttb s LYS 15 Ca 0.04 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1ttb s LYS 15 Cb -0.11 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.04 1ttb s LYS 15 CO 0.01 0.06 -0.12 0.08 -0.36 0.00 0.00 175.35 175.02 1ttb s VAL 16 N 0.51 1.03 0.16 4.02 1.01 0.76 -1.47 120.40 126.42 1ttb s VAL 16 Ca -0.10 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1ttb s VAL 16 Cb -0.13 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1ttb s VAL 16 CO 0.02 0.32 -0.24 -0.76 0.00 0.00 0.00 175.10 174.44 1ttb s LEU 17 N 0.40 2.38 -0.28 3.92 2.01 -0.22 -1.55 118.68 125.35 1ttb s LEU 17 Ca -0.08 -0.80 -0.08 0.00 0.01 0.00 0.00 54.13 53.17 1ttb s LEU 17 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 46.19 44.94 1ttb s LEU 17 CO 0.02 0.12 0.11 -0.62 1.01 0.00 0.00 176.35 176.98 1ttb s ASP 18 N -2.36 5.32 0.05 2.29 -1.08 0.24 -0.12 116.67 121.01 1ttb s ASP 18 Ca 0.16 -0.38 0.26 0.00 -0.52 0.00 0.00 52.55 52.08 1ttb s ASP 18 Cb -0.09 -1.95 0.73 0.00 -1.46 0.00 0.00 42.92 40.15 1ttb s ASP 18 CO 0.07 -0.11 1.60 0.00 0.52 0.00 0.00 175.17 177.25 1ttb n ALA 19 N 4.94 2.90 -0.00 3.66 0.00 -0.34 -1.55 120.51 130.13 1ttb n ALA 19 Ca -0.15 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1ttb n ALA 19 Cb 0.50 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1ttb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttb h VAL 20 N 0.00 1.09 0.00 0.00 2.07 -1.95 -3.40 116.25 114.07 1ttb h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1ttb h VAL 20 Cb 0.58 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1ttb h VAL 20 CO 0.00 0.67 -1.12 0.54 0.02 0.00 0.00 177.57 177.68 1ttb n ARG 21 N -4.01 0.17 -3.16 1.57 1.74 -1.25 -5.00 116.66 106.73 1ttb n ARG 21 Ca -0.24 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.67 1ttb n ARG 21 Cb 0.86 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.85 1ttb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttb n GLY 22 N 1.43 -0.30 3.58 -0.13 0.00 -0.59 -5.02 105.19 104.16 1ttb n GLY 22 Ca 0.02 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1ttb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ttb s SER 23 N -4.04 -0.04 0.74 1.61 1.04 -1.12 -5.02 113.70 106.87 1ttb s SER 23 Ca 0.05 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 1ttb s SER 23 Cb -0.01 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1ttb s SER 23 CO 0.61 -1.15 1.24 -2.84 0.98 0.00 0.00 173.24 172.07 1ttb s PRO 24 N -3.94 2.00 -0.42 4.02 0.02 -1.26 -0.59 135.00 134.81 1ttb s PRO 24 Ca 0.23 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 1ttb s PRO 24 Cb -0.01 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.74 1ttb s PRO 24 CO 0.10 -1.97 0.38 0.00 -0.33 0.00 0.00 177.00 175.18 1ttb s ALA 25 N -1.86 3.46 -0.00 -1.55 0.00 -0.59 -4.60 121.76 116.62 1ttb s ALA 25 Ca 0.77 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1ttb s ALA 25 Cb -0.32 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1ttb s ALA 25 CO 0.46 -1.57 0.27 0.42 0.00 0.00 0.00 175.76 175.35 1ttb s ILE 26 N 1.91 5.30 -1.42 0.00 1.01 -1.26 -4.36 121.20 122.38 1ttb s ILE 26 Ca 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1ttb s ILE 26 Cb -0.19 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1ttb s ILE 26 CO 0.11 0.40 0.49 0.59 0.00 0.00 0.00 174.94 176.53 1ttb n ASN 27 N 1.22 -5.66 -4.71 3.58 5.03 -0.55 -4.96 115.26 109.21 1ttb n ASN 27 Ca -0.12 -0.23 -0.40 0.00 0.87 0.00 0.00 54.58 54.69 1ttb n ASN 27 Cb 0.53 -4.51 -0.04 0.00 -1.02 0.00 0.00 39.78 34.73 1ttb n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ttb s VAL 28 N -3.10 4.99 0.11 2.41 1.01 -1.26 -4.78 120.40 119.78 1ttb s VAL 28 Ca 0.24 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 1ttb s VAL 28 Cb -0.11 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1ttb s VAL 28 CO 0.30 0.21 1.06 0.00 0.00 0.00 0.00 175.10 176.67 1ttb s ALA 29 N 0.95 3.31 -0.06 5.51 0.00 -1.26 -1.29 121.76 128.92 1ttb s ALA 29 Ca 0.41 0.71 0.03 0.00 0.00 0.00 0.00 51.96 53.12 1ttb s ALA 29 Cb -0.18 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1ttb s ALA 29 CO 0.20 -0.20 -0.14 0.08 0.00 0.00 0.00 175.76 175.70 1ttb s VAL 30 N 0.23 1.28 -0.07 0.00 1.01 0.89 -0.81 120.40 122.93 1ttb s VAL 30 Ca 0.51 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ttb s VAL 30 Cb -0.26 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1ttb s VAL 30 CO 0.31 0.38 -0.23 -1.00 0.00 0.00 0.00 175.10 174.56 1ttb s HIS 31 N 0.41 2.36 -0.06 5.22 3.76 -0.19 -1.41 115.29 125.39 1ttb s HIS 31 Ca -0.11 -0.80 0.05 0.00 -0.15 0.00 0.00 55.06 54.05 1ttb s HIS 31 Cb -0.14 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1ttb s HIS 31 CO 0.03 -0.28 -0.19 0.08 -0.85 0.00 0.00 174.74 173.53 1ttb s VAL 32 N 0.05 2.62 0.15 -0.90 1.01 0.13 0.43 120.40 123.89 1ttb s VAL 32 Ca -0.09 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1ttb s VAL 32 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1ttb s VAL 32 CO 0.05 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.21 1ttb s PHE 33 N -0.44 1.63 -0.04 5.22 0.40 0.41 -0.57 117.98 124.60 1ttb s PHE 33 Ca 0.05 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1ttb s PHE 33 Cb -0.12 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 1ttb s PHE 33 CO 0.02 0.26 -0.20 0.50 0.70 0.00 0.00 175.22 176.49 1ttb s ARG 34 N -2.86 1.98 -0.08 0.44 3.52 0.31 -0.44 118.95 121.82 1ttb s ARG 34 Ca 0.14 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1ttb s ARG 34 Cb -0.05 -1.74 -0.04 0.00 -1.56 0.00 0.00 34.95 31.56 1ttb s ARG 34 CO 0.05 0.33 1.43 0.15 -0.81 0.00 0.00 175.30 176.45 1ttb s LYS 35 N -0.14 4.23 0.82 5.12 1.02 0.73 -1.19 119.74 130.33 1ttb s LYS 35 Ca -0.01 1.92 -0.12 0.00 0.02 0.00 0.00 55.97 57.78 1ttb s LYS 35 Cb -0.11 -3.79 0.08 0.00 -0.52 0.00 0.00 37.83 33.49 1ttb s LYS 35 CO 0.02 -0.72 1.12 0.00 -0.92 0.00 0.00 175.35 174.85 1ttb s ALA 36 N 3.38 2.26 0.45 5.17 0.00 0.19 -4.72 121.76 128.48 1ttb s ALA 36 Ca 0.64 -0.38 0.19 0.00 0.00 0.00 0.00 51.96 52.40 1ttb s ALA 36 Cb -0.28 -3.05 1.14 0.00 0.00 0.00 0.00 23.12 20.92 1ttb s ALA 36 CO 0.23 -1.80 1.91 0.00 0.00 0.00 0.00 175.76 176.10 1ttb h ALA 37 N -1.14 2.24 -0.26 0.00 0.00 -1.94 0.10 119.26 118.26 1ttb h ALA 37 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ttb h ALA 37 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ttb h ALA 37 CO 0.62 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 1ttb n ASP 38 N -4.46 1.58 -0.16 0.00 5.68 -1.26 -4.90 116.55 113.03 1ttb n ASP 38 Ca 0.15 -2.04 -0.02 0.00 -0.50 0.00 0.00 54.79 52.38 1ttb n ASP 38 Cb 0.61 -0.23 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 1ttb n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ttb n ASP 39 N 0.27 -3.72 -4.89 -1.12 -0.08 0.35 -5.03 116.55 102.32 1ttb n ASP 39 Ca 0.09 0.05 -0.23 0.00 -1.51 0.00 0.00 54.79 53.20 1ttb n ASP 39 Cb 0.27 -1.41 -0.03 0.00 2.34 0.00 0.00 41.12 42.29 1ttb n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1ttb s THR 40 N -1.92 4.87 -0.39 5.18 -4.23 -1.26 -4.83 115.64 113.06 1ttb s THR 40 Ca 0.00 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 59.14 1ttb s THR 40 Cb 0.00 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1ttb s THR 40 CO 0.00 -0.28 0.90 0.26 -0.54 0.00 0.00 174.62 174.96 1ttb s TRP 41 N -1.98 3.04 -0.16 3.99 0.52 -1.26 0.55 118.94 123.64 1ttb s TRP 41 Ca 0.33 0.61 -0.11 0.00 0.02 0.00 0.00 56.10 56.96 1ttb s TRP 41 Cb -0.09 -3.69 -0.05 0.00 -1.15 0.00 0.00 33.47 28.49 1ttb s TRP 41 CO 0.27 -0.89 0.21 -2.00 0.02 0.00 0.00 176.95 174.56 1ttb s GLU 42 N 3.48 4.04 0.16 4.98 2.12 -0.33 -4.89 118.70 128.26 1ttb s GLU 42 Ca 0.36 -0.05 -0.34 0.00 0.36 0.00 0.00 54.97 55.30 1ttb s GLU 42 Cb -0.12 -3.36 -0.14 0.00 0.26 0.00 0.00 34.13 30.77 1ttb s GLU 42 CO 0.21 0.40 1.50 -2.30 -0.54 0.00 0.00 175.26 174.53 1ttb n PRO 43 N 3.11 1.93 -0.01 4.30 -0.02 -1.26 -0.53 135.00 142.51 1ttb n PRO 43 Ca -0.15 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.00 1ttb n PRO 43 Cb 0.53 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1ttb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ttb n PHE 44 N 2.95 0.00 -3.51 6.00 7.35 0.27 -4.81 117.46 125.70 1ttb n PHE 44 Ca 0.16 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 1ttb n PHE 44 Cb 0.27 -0.10 -0.02 0.00 0.35 0.00 0.00 39.48 39.98 1ttb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ttb s ALA 45 N -2.05 -1.84 0.15 3.13 0.00 -1.03 -5.01 121.76 115.11 1ttb s ALA 45 Ca -0.04 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 1ttb s ALA 45 Cb 0.01 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1ttb s ALA 45 CO 0.05 -0.64 0.38 -1.54 0.00 0.00 0.00 175.76 174.02 1ttb s SER 46 N -2.29 -0.13 0.00 0.00 1.04 -1.26 0.17 113.70 111.23 1ttb s SER 46 Ca 0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ttb s SER 46 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ttb s SER 46 CO -0.07 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1ttb n GLY 47 N -0.24 -1.27 3.15 7.32 0.00 -0.50 -4.98 105.19 108.68 1ttb n GLY 47 Ca -0.12 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1ttb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttb s LYS 48 N -1.23 1.19 0.51 1.61 1.02 -1.26 -0.07 119.74 121.51 1ttb s LYS 48 Ca 0.00 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 1ttb s LYS 48 Cb 0.00 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.06 1ttb s LYS 48 CO 0.00 0.32 1.34 0.95 -0.92 0.00 0.00 175.35 177.03 1ttb s THR 49 N -0.55 2.25 0.86 2.17 -4.23 -0.41 -4.78 115.64 110.94 1ttb s THR 49 Ca 0.05 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1ttb s THR 49 Cb -0.07 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1ttb s THR 49 CO 0.00 0.00 1.17 -1.54 -0.54 0.00 0.00 174.62 173.71 1ttb n SER 50 N -0.78 0.37 0.33 3.99 3.41 0.22 -1.48 113.62 119.68 1ttb n SER 50 Ca 0.09 -1.60 0.21 0.00 -0.26 0.00 0.00 58.87 57.32 1ttb n SER 50 Cb 0.45 -0.86 1.15 0.00 -0.26 0.00 0.00 64.21 64.69 1ttb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ttb h GLU 51 N 0.00 0.00 -0.18 4.33 4.39 -1.94 0.19 114.58 121.37 1ttb h GLU 51 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1ttb h GLU 51 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ttb h GLU 51 CO 0.29 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.01 1ttb n SER 52 N -3.19 2.34 -0.10 1.42 3.41 -1.26 -4.81 113.62 111.42 1ttb n SER 52 Ca -0.03 -1.80 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 1ttb n SER 52 Cb 0.09 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1ttb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ttb n GLY 53 N 1.28 0.51 3.71 5.00 0.00 0.66 -4.80 105.19 111.55 1ttb n GLY 53 Ca 0.17 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1ttb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ttb s GLU 54 N -1.33 2.57 -0.19 1.61 2.02 -1.26 -0.17 118.70 121.97 1ttb s GLU 54 Ca 0.00 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 53.95 1ttb s GLU 54 Cb 0.00 -2.46 0.06 0.00 0.10 0.00 0.00 34.13 31.82 1ttb s GLU 54 CO 0.00 0.47 0.04 -1.17 0.02 0.00 0.00 175.26 174.62 1ttb s LEU 55 N -2.95 1.08 0.42 1.80 2.96 0.13 -0.61 118.68 121.52 1ttb s LEU 55 Ca 0.28 -0.77 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1ttb s LEU 55 Cb -0.10 -0.56 -0.07 0.00 0.50 0.00 0.00 46.19 45.97 1ttb s LEU 55 CO 0.20 -0.30 0.01 -1.00 -1.32 0.00 0.00 176.35 173.94 1ttb s HIS 56 N 1.89 2.36 -0.12 5.38 3.76 -1.26 -1.84 115.29 125.45 1ttb s HIS 56 Ca -0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 1ttb s HIS 56 Cb -0.17 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.82 1ttb s HIS 56 CO -0.08 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 1ttb n GLY 57 N -1.00 0.50 0.33 -2.22 0.00 -1.26 -4.93 105.19 96.62 1ttb n GLY 57 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 1ttb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ttb h LEU 58 N 0.00 0.87 0.00 0.99 3.38 -1.77 -3.40 115.31 115.38 1ttb h LEU 58 Ca -0.02 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1ttb h LEU 58 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ttb h LEU 58 CO 0.03 0.72 0.04 1.07 0.09 0.00 0.00 178.44 180.39 1ttb n THR 59 N -4.35 0.00 -4.51 0.22 5.66 0.55 -4.51 114.28 107.34 1ttb n THR 59 Ca 0.07 -1.31 -0.24 0.00 -3.05 0.00 0.00 64.05 59.51 1ttb n THR 59 Cb 0.12 0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 69.76 1ttb n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ttb s THR 60 N -2.51 1.76 0.24 1.09 -4.23 -1.26 -0.29 115.64 110.44 1ttb s THR 60 Ca 0.21 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1ttb s THR 60 Cb -0.03 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.32 1ttb s THR 60 CO 0.15 -0.12 1.90 -0.08 -0.54 0.00 0.00 174.62 175.93 1ttb h GLU 61 N 2.04 1.17 -0.45 3.99 4.81 -1.91 -1.83 114.58 122.41 1ttb h GLU 61 Ca -0.42 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ttb h GLU 61 Cb 1.24 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1ttb h GLU 61 CO 0.72 0.77 0.27 1.49 -0.73 0.00 0.00 179.01 181.53 1ttb h GLU 62 N 1.20 0.60 0.00 1.92 4.57 -1.91 -3.05 114.58 117.91 1ttb h GLU 62 Ca 0.35 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 1ttb h GLU 62 Cb -0.07 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1ttb h GLU 62 CO -0.10 0.45 -0.50 1.49 -1.18 0.00 0.00 179.01 179.17 1ttb h GLU 63 N 0.59 0.00 -3.91 1.92 4.81 -1.82 -3.40 114.58 112.76 1ttb h GLU 63 Ca 0.16 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.65 1ttb h GLU 63 Cb -0.00 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.25 1ttb h GLU 63 CO -0.03 0.50 2.20 0.34 -0.73 0.00 0.00 179.01 181.29 1ttb n PHE 64 N -3.40 3.44 -1.92 0.92 7.35 -0.72 -4.97 117.46 118.16 1ttb n PHE 64 Ca 0.01 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.50 1ttb n PHE 64 Cb 0.65 -2.16 0.11 0.00 0.35 0.00 0.00 39.48 38.43 1ttb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ttb s VAL 65 N 1.40 2.01 0.31 -2.13 -7.23 -1.26 -4.93 120.40 108.56 1ttb s VAL 65 Ca 0.42 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 1ttb s VAL 65 Cb 0.09 -3.00 -0.13 0.00 0.56 0.00 0.00 36.38 33.90 1ttb s VAL 65 CO -0.01 0.00 1.28 1.21 -0.31 0.00 0.00 175.10 177.27 1ttb n GLU 66 N -3.41 1.99 -3.52 4.82 2.13 -1.26 -4.79 120.64 116.60 1ttb n GLU 66 Ca 0.10 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1ttb n GLU 66 Cb 0.61 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1ttb n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ttb n GLY 67 N 1.17 -1.78 3.51 8.31 0.00 -0.91 -5.00 105.19 110.48 1ttb n GLY 67 Ca 0.07 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1ttb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttb s ILE 68 N -2.38 4.41 0.19 -0.61 1.01 -1.26 -0.43 121.20 122.12 1ttb s ILE 68 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.59 1ttb s ILE 68 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1ttb s ILE 68 CO 0.00 0.39 -0.13 -0.31 0.00 0.00 0.00 174.94 174.89 1ttb s TYR 69 N 1.09 2.53 -0.09 3.97 1.51 0.65 -0.19 117.35 126.82 1ttb s TYR 69 Ca 0.04 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1ttb s TYR 69 Cb -0.14 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1ttb s TYR 69 CO 0.03 0.53 -0.10 0.21 -1.11 0.00 0.00 175.55 175.11 1ttb s LYS 70 N -2.88 1.58 -0.28 -0.62 2.20 0.42 -1.56 119.74 118.60 1ttb s LYS 70 Ca 0.24 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.45 1ttb s LYS 70 Cb -0.08 -1.46 -0.01 0.00 -1.51 0.00 0.00 37.83 34.77 1ttb s LYS 70 CO 0.14 -0.11 0.11 0.08 -0.36 0.00 0.00 175.35 175.21 1ttb s VAL 71 N 1.14 4.41 -0.21 4.02 1.01 0.03 -0.44 120.40 130.37 1ttb s VAL 71 Ca -0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1ttb s VAL 71 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1ttb s VAL 71 CO -0.02 0.18 0.03 -0.70 0.00 0.00 0.00 175.10 174.59 1ttb s GLU 72 N 1.60 3.71 -0.18 2.72 2.12 0.17 -0.86 118.70 127.98 1ttb s GLU 72 Ca 0.05 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 1ttb s GLU 72 Cb -0.16 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1ttb s GLU 72 CO 0.05 0.02 -0.04 0.42 -0.54 0.00 0.00 175.26 175.17 1ttb s ILE 73 N 1.00 3.67 -1.26 -3.70 1.01 0.11 -1.03 121.20 121.01 1ttb s ILE 73 Ca 0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1ttb s ILE 73 Cb -0.14 -2.63 0.11 0.00 0.01 0.00 0.00 42.46 39.81 1ttb s ILE 73 CO 0.02 0.46 1.60 -0.62 0.00 0.00 0.00 174.94 176.41 1ttb s ASP 74 N 0.78 6.94 0.18 3.58 2.15 0.01 -1.86 116.67 128.45 1ttb s ASP 74 Ca -0.02 -2.68 -0.00 0.00 0.43 0.00 0.00 52.55 50.28 1ttb s ASP 74 Cb -0.15 -2.50 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1ttb s ASP 74 CO 0.02 -0.98 1.45 0.71 -0.17 0.00 0.00 175.17 176.19 1ttb h THR 75 N 5.18 1.39 -0.27 1.71 1.35 -1.87 -3.24 112.91 117.16 1ttb h THR 75 Ca 0.39 -2.16 0.03 0.00 -0.55 0.00 0.00 66.41 64.11 1ttb h THR 75 Cb 0.87 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 69.40 1ttb h THR 75 CO 1.36 0.65 0.10 0.50 -0.25 0.00 0.00 175.52 177.88 1ttb h LYS 76 N 0.24 0.23 -0.86 4.72 3.64 -1.74 -1.42 116.57 121.38 1ttb h LYS 76 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ttb h LYS 76 Cb 1.30 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1ttb h LYS 76 CO 0.12 0.15 0.51 0.77 -2.27 0.00 0.00 179.45 178.73 1ttb h SER 77 N 0.23 1.04 0.15 4.20 0.02 -1.86 -1.64 113.55 115.69 1ttb h SER 77 Ca 0.12 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1ttb h SER 77 Cb 0.07 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1ttb h SER 77 CO -0.11 0.81 -0.28 0.22 -1.14 0.00 0.00 176.83 176.33 1ttb h TYR 78 N 1.18 -0.74 -0.51 3.45 3.20 -1.48 -1.91 116.97 120.16 1ttb h TYR 78 Ca 0.31 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.08 1ttb h TYR 78 Cb -0.04 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1ttb h TYR 78 CO 0.00 -0.38 -0.10 -1.49 -1.64 0.00 0.00 178.16 174.54 1ttb h TRP 79 N -0.51 1.09 -0.76 -3.82 4.06 -1.06 -3.04 115.95 111.92 1ttb h TRP 79 Ca 0.02 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.76 1ttb h TRP 79 Cb 0.52 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 1ttb h TRP 79 CO -0.24 1.02 0.50 0.87 -3.56 0.00 0.00 178.44 177.04 1ttb h LYS 80 N 0.83 0.99 0.00 0.49 1.57 -1.06 -0.39 116.57 119.01 1ttb h LYS 80 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ttb h LYS 80 Cb 0.66 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ttb h LYS 80 CO 0.05 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 1ttb h ALA 81 N 1.53 1.00 -0.01 3.86 0.00 -1.23 -1.65 119.26 122.76 1ttb h ALA 81 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ttb h ALA 81 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ttb h ALA 81 CO -0.06 0.00 -0.33 1.28 0.00 0.00 0.00 179.25 180.13 1ttb n LEU 82 N -2.70 1.52 0.00 0.00 4.32 -0.27 -4.96 117.00 114.91 1ttb n LEU 82 Ca 0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 1ttb n LEU 82 Cb 0.27 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1ttb n LEU 82 CO 0.24 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1ttb n GLY 83 N 1.37 0.76 3.52 -0.72 0.00 -0.62 -5.08 105.19 104.43 1ttb n GLY 83 Ca 0.11 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1ttb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttb s ILE 84 N -2.00 3.60 -0.39 -0.61 1.01 -0.53 -4.99 121.20 117.29 1ttb s ILE 84 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 1ttb s ILE 84 Cb 0.00 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1ttb s ILE 84 CO 0.00 0.56 0.43 -0.44 0.00 0.00 0.00 174.94 175.49 1ttb s SER 85 N -0.37 6.21 0.61 3.58 0.01 -1.26 -2.63 113.70 119.83 1ttb s SER 85 Ca 0.05 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 1ttb s SER 85 Cb -0.12 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 63.93 1ttb s SER 85 CO 0.02 -0.51 0.86 -2.16 0.41 0.00 0.00 173.24 171.86 1ttb s PRO 86 N 2.15 2.41 -0.08 12.44 0.04 -1.26 -5.00 135.00 145.70 1ttb s PRO 86 Ca 0.13 -0.61 -0.25 0.00 0.04 0.00 0.00 61.00 60.31 1ttb s PRO 86 Cb -0.17 -2.38 -0.27 0.00 0.04 0.00 0.00 34.50 31.72 1ttb s PRO 86 CO 0.13 -0.91 0.89 0.35 0.04 0.00 0.00 177.00 177.51 1ttb h PHE 87 N -0.17 0.29 -3.68 0.56 3.57 -1.69 -3.47 116.94 112.34 1ttb h PHE 87 Ca -0.43 -0.19 -0.50 0.00 3.53 0.00 0.00 57.97 60.38 1ttb h PHE 87 Cb 1.30 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1ttb h PHE 87 CO 0.35 1.11 0.09 -1.01 -2.23 0.00 0.00 178.31 176.61 1ttb s HIS 88 N -2.55 3.42 0.11 0.41 3.76 -1.26 -4.99 115.29 114.18 1ttb s HIS 88 Ca -0.16 1.11 -0.11 0.00 -0.15 0.00 0.00 55.06 55.75 1ttb s HIS 88 Cb -0.00 -2.47 -0.13 0.00 1.11 0.00 0.00 32.58 31.09 1ttb s HIS 88 CO 0.76 0.02 1.32 0.93 -0.85 0.00 0.00 174.74 176.92 1ttb h GLU 89 N 1.84 0.75 -2.35 1.40 4.39 -1.98 -3.37 114.58 115.26 1ttb h GLU 89 Ca -0.47 -0.62 0.19 0.00 0.34 0.00 0.00 59.36 58.79 1ttb h GLU 89 Cb 1.18 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1ttb h GLU 89 CO 0.65 1.23 0.57 -3.38 -1.16 0.00 0.00 179.01 176.92 1ttb s HIS 90 N -3.72 -0.02 -0.13 4.33 -3.43 -1.26 -3.55 115.29 107.51 1ttb s HIS 90 Ca -0.10 -0.31 -0.01 0.00 -0.80 0.00 0.00 55.06 53.84 1ttb s HIS 90 Cb 0.09 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.88 1ttb s HIS 90 CO 0.90 -0.82 -0.09 0.00 -2.00 0.00 0.00 174.74 172.73 1ttb s ALA 91 N -2.63 2.78 0.01 -1.38 0.00 -0.78 -4.91 121.76 114.85 1ttb s ALA 91 Ca 0.17 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1ttb s ALA 91 Cb -0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1ttb s ALA 91 CO 0.03 0.27 -0.19 -1.21 0.00 0.00 0.00 175.76 174.66 1ttb s GLU 92 N 0.23 1.46 -0.12 0.00 2.02 -1.26 0.06 118.70 121.08 1ttb s GLU 92 Ca -0.06 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.17 1ttb s GLU 92 Cb -0.15 -1.47 0.02 0.00 0.10 0.00 0.00 34.13 32.64 1ttb s GLU 92 CO 0.04 0.39 -0.14 0.08 0.02 0.00 0.00 175.26 175.65 1ttb s VAL 93 N -0.58 1.46 -0.10 2.63 1.01 -0.04 -4.97 120.40 119.80 1ttb s VAL 93 Ca 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1ttb s VAL 93 Cb -0.08 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ttb s VAL 93 CO 0.00 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.64 1ttb s VAL 94 N 1.23 1.86 0.01 2.92 1.01 -1.26 -0.79 120.40 125.37 1ttb s VAL 94 Ca -0.02 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1ttb s VAL 94 Cb -0.14 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1ttb s VAL 94 CO -0.05 0.51 0.43 0.72 0.00 0.00 0.00 175.10 176.71 1ttb s PHE 95 N 0.55 -0.31 0.00 5.22 -0.71 -0.60 -5.00 117.98 117.13 1ttb s PHE 95 Ca -0.15 0.39 -0.28 0.00 -1.04 0.00 0.00 56.93 55.85 1ttb s PHE 95 Cb -0.17 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1ttb s PHE 95 CO 0.05 -0.53 0.90 0.99 -1.34 0.00 0.00 175.22 175.29 1ttb s THR 96 N -1.93 4.85 0.05 -4.49 2.01 -1.26 -0.26 115.64 114.62 1ttb s THR 96 Ca -0.09 1.89 0.09 0.00 0.31 0.00 0.00 61.69 63.89 1ttb s THR 96 Cb -0.02 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1ttb s THR 96 CO 0.02 0.22 -0.26 0.00 -0.69 0.00 0.00 174.62 173.90 1ttb s ALA 97 N 0.75 2.22 -1.51 7.40 0.00 0.42 -4.84 121.76 126.21 1ttb s ALA 97 Ca 0.47 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1ttb s ALA 97 Cb -0.21 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1ttb s ALA 97 CO 0.26 0.52 0.43 0.09 0.00 0.00 0.00 175.76 177.06 1ttb n ASN 98 N 1.74 -5.49 -0.20 0.00 3.02 -1.26 -2.15 115.26 110.91 1ttb n ASN 98 Ca -0.17 -0.22 0.12 0.00 -0.03 0.00 0.00 54.58 54.29 1ttb n ASN 98 Cb 0.52 -4.49 0.61 0.00 -0.61 0.00 0.00 39.78 35.82 1ttb n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ttb n ASP 99 N -2.34 0.62 -1.14 6.41 5.75 -1.26 -2.89 116.55 121.71 1ttb n ASP 99 Ca -0.12 -1.39 0.04 0.00 -0.01 0.00 0.00 54.79 53.31 1ttb n ASP 99 Cb 0.62 -0.02 0.05 0.00 -1.03 0.00 0.00 41.12 40.74 1ttb n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ttb n SER 100 N -0.44 1.01 0.00 -1.12 7.64 -1.26 -5.11 113.62 114.34 1ttb n SER 100 Ca 0.18 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1ttb n SER 100 Cb 0.18 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1ttb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttb n GLY 101 N 0.08 2.31 3.77 0.23 0.00 -1.14 -5.04 105.19 105.41 1ttb n GLY 101 Ca 0.08 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1ttb n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ttb s PRO 102 N -2.36 4.23 0.10 1.61 0.04 -1.26 -4.38 135.00 132.98 1ttb s PRO 102 Ca 0.00 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 1ttb s PRO 102 Cb 0.00 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1ttb s PRO 102 CO 0.00 -0.39 0.01 1.03 0.04 0.00 0.00 177.00 177.70 1ttb s ARG 103 N -1.65 0.82 -0.15 4.56 1.81 -1.26 -4.52 118.95 118.56 1ttb s ARG 103 Ca 0.53 -1.36 -0.06 0.00 -1.72 0.00 0.00 55.73 53.12 1ttb s ARG 103 Cb -0.43 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 1ttb s ARG 103 CO 0.55 -0.18 0.07 1.03 -0.68 0.00 0.00 175.30 176.09 1ttb s ARG 104 N -3.98 3.65 -0.13 3.54 0.52 0.40 -4.83 118.95 118.13 1ttb s ARG 104 Ca 0.17 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1ttb s ARG 104 Cb 0.07 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.43 1ttb s ARG 104 CO -0.03 0.48 -0.23 0.71 0.02 0.00 0.00 175.30 176.26 1ttb s TYR 105 N -0.22 2.63 -0.22 -0.53 1.51 0.64 -1.42 117.35 119.74 1ttb s TYR 105 Ca 0.08 -1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 54.86 1ttb s TYR 105 Cb -0.12 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1ttb s TYR 105 CO 0.01 -0.55 -0.04 0.99 -1.11 0.00 0.00 175.55 174.85 1ttb s THR 106 N 0.66 3.43 -0.32 -0.71 2.01 -0.00 -0.47 115.64 120.23 1ttb s THR 106 Ca -0.11 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1ttb s THR 106 Cb -0.16 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1ttb s THR 106 CO 0.02 0.43 0.12 -0.63 -0.69 0.00 0.00 174.62 173.86 1ttb s ILE 107 N 1.40 4.15 -0.11 1.82 -1.09 0.14 -1.20 121.20 126.31 1ttb s ILE 107 Ca 0.05 -0.75 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1ttb s ILE 107 Cb -0.14 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1ttb s ILE 107 CO -0.02 -0.02 -0.09 0.00 -1.23 0.00 0.00 174.94 173.57 1ttb s ALA 108 N 1.51 2.81 -0.05 9.38 0.00 -0.54 -1.23 121.76 133.63 1ttb s ALA 108 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1ttb s ALA 108 Cb -0.18 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1ttb s ALA 108 CO 0.04 0.36 -0.06 0.99 0.00 0.00 0.00 175.76 177.09 1ttb s THR 109 N -0.09 0.66 -0.21 0.00 2.01 -0.54 -0.69 115.64 116.78 1ttb s THR 109 Ca -0.00 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1ttb s THR 109 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1ttb s THR 109 CO 0.03 0.25 0.08 -0.22 -0.69 0.00 0.00 174.62 174.07 1ttb s LEU 110 N 0.84 3.72 -0.12 4.42 2.96 0.47 -1.05 118.68 129.92 1ttb s LEU 110 Ca -0.12 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1ttb s LEU 110 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1ttb s LEU 110 CO 0.01 0.08 0.01 -0.76 -1.32 0.00 0.00 176.35 174.37 1ttb s LEU 111 N 0.93 3.55 0.11 -0.68 1.43 0.83 -2.11 118.68 122.75 1ttb s LEU 111 Ca 0.04 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1ttb s LEU 111 Cb -0.14 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1ttb s LEU 111 CO 0.03 0.29 -0.10 -0.44 0.23 0.00 0.00 176.35 176.35 1ttb s SER 112 N -0.33 1.60 0.32 2.29 0.01 0.60 -1.19 113.70 117.00 1ttb s SER 112 Ca 0.07 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.49 1ttb s SER 112 Cb -0.12 -0.00 0.64 0.00 0.21 0.00 0.00 66.02 66.74 1ttb s SER 112 CO 0.02 -0.27 1.89 -0.65 0.41 0.00 0.00 173.24 174.63 1ttb h PRO 113 N 3.31 0.87 -0.19 12.44 0.11 -1.98 -2.88 132.00 143.68 1ttb h PRO 113 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ttb h PRO 113 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ttb h PRO 113 CO 0.56 0.58 0.00 0.66 -0.21 0.00 0.00 178.00 179.59 1ttb n TYR 114 N -4.53 0.48 -3.52 0.65 4.02 -1.26 -1.69 117.16 111.29 1ttb n TYR 114 Ca 0.15 -0.73 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 1ttb n TYR 114 Cb 0.31 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 1ttb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ttb s SER 115 N -1.69 -0.63 0.01 7.72 0.15 -1.09 -4.95 113.70 113.23 1ttb s SER 115 Ca 0.28 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.39 1ttb s SER 115 Cb 0.21 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 65.08 1ttb s SER 115 CO 0.08 -0.63 0.34 -0.72 1.20 0.00 0.00 173.24 173.51 1ttb s TYR 116 N -1.43 -0.19 -0.03 3.44 -0.85 -1.26 -0.29 117.35 116.74 1ttb s TYR 116 Ca -0.10 0.21 0.07 0.00 -0.52 0.00 0.00 57.07 56.73 1ttb s TYR 116 Cb -0.00 0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1ttb s TYR 116 CO 0.08 -0.46 -0.23 0.45 -1.52 0.00 0.00 175.55 173.87 1ttb s SER 117 N -1.63 2.72 -0.01 -0.18 0.15 -0.90 -4.98 113.70 108.87 1ttb s SER 117 Ca -0.10 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1ttb s SER 117 Cb -0.03 -0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1ttb s SER 117 CO 0.01 0.26 -0.09 0.28 1.20 0.00 0.00 173.24 174.91 1ttb s THR 118 N -0.41 0.75 0.07 6.45 -1.32 -1.26 -0.39 115.64 119.53 1ttb s THR 118 Ca 0.05 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1ttb s THR 118 Cb -0.10 -0.64 -0.03 0.00 -1.51 0.00 0.00 72.50 70.22 1ttb s THR 118 CO 0.00 0.22 -0.07 0.28 -2.21 0.00 0.00 174.62 172.84 1ttb s THR 119 N -0.07 0.60 0.01 5.08 -1.32 0.13 -5.01 115.64 115.05 1ttb s THR 119 Ca 0.01 -1.53 0.06 0.00 -1.21 0.00 0.00 61.69 59.02 1ttb s THR 119 Cb -0.05 -1.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 1ttb s THR 119 CO -0.00 -0.65 -0.17 0.00 -2.21 0.00 0.00 174.62 171.58 1ttb s ALA 120 N -2.60 2.58 -0.19 11.08 0.00 -1.26 -1.47 121.76 129.90 1ttb s ALA 120 Ca 0.01 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.85 1ttb s ALA 120 Cb -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1ttb s ALA 120 CO -0.03 0.56 -0.15 0.08 0.00 0.00 0.00 175.76 176.23 1ttb s VAL 121 N -0.84 2.46 -0.17 0.00 1.01 -0.34 -4.99 120.40 117.54 1ttb s VAL 121 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ttb s VAL 121 Cb -0.10 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1ttb s VAL 121 CO 0.03 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 1ttb s VAL 122 N 1.35 2.49 0.17 2.92 1.01 -1.26 -0.82 120.40 126.25 1ttb s VAL 122 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1ttb s VAL 122 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ttb s VAL 122 CO -0.10 0.51 -0.14 0.42 0.00 0.00 0.00 175.10 175.79 1ttb s THR 123 N 1.05 1.57 -0.57 3.92 -4.23 -0.51 -4.99 115.64 111.89 1ttb s THR 123 Ca -0.01 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.28 1ttb s THR 123 Cb -0.14 -1.87 0.10 0.00 1.34 0.00 0.00 72.50 71.92 1ttb s THR 123 CO -0.05 -0.54 0.66 0.21 -0.54 0.00 0.00 174.62 174.37 1ttb s ASN 124 N -3.01 6.19 0.01 3.99 3.84 -1.26 -0.45 114.94 124.25 1ttb s ASN 124 Ca 0.18 -1.42 -0.03 0.00 0.21 0.00 0.00 52.86 51.79 1ttb s ASN 124 Cb -0.02 -2.28 -0.02 0.00 -0.55 0.00 0.00 41.25 38.38 1ttb s ASN 124 CO 0.05 -1.04 0.07 -2.65 -2.79 0.00 0.00 177.10 170.73 1ttb n PRO 125 N 6.14 0.00 0.00 0.43 -0.01 -1.26 -4.96 135.00 135.34 1ttb n PRO 125 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.39 1ttb n PRO 125 Cb 0.42 -0.11 0.00 0.00 -0.01 0.00 0.00 33.50 33.80 1ttb n PRO 125 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 1ttb n LYS 126 N 0.11 0.00 0.00 -0.52 3.00 -1.26 -5.13 118.16 114.36 1ttb n LYS 126 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1ttb n LYS 126 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1ttb n LYS 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55