#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tta n PRO 2 N 0.00 1.64 -3.18 1.61 -0.02 -1.26 -4.99 135.00 128.80 1tta n PRO 2 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1tta n PRO 2 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1tta n PRO 2 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1tta n THR 3 N -0.67 0.00 -1.04 3.45 5.66 -1.25 -4.21 114.28 116.23 1tta n THR 3 Ca 0.00 -0.88 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 1tta n THR 3 Cb 0.00 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1tta n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tta n GLY 4 N -0.42 5.39 3.37 1.09 0.00 0.13 -4.27 105.19 110.47 1tta n GLY 4 Ca -0.05 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.20 1tta n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tta s THR 5 N 2.10 5.55 0.00 2.61 -1.32 0.01 -4.78 115.64 119.82 1tta s THR 5 Ca 0.00 -2.70 0.00 0.00 -1.21 0.00 0.00 61.69 57.78 1tta s THR 5 Cb 0.00 -4.62 0.00 0.00 -1.51 0.00 0.00 72.50 66.37 1tta s THR 5 CO 0.00 -1.23 0.00 0.61 -2.21 0.00 0.00 174.62 171.79 1tta n GLY 6 N 3.77 0.80 3.02 6.08 0.00 -1.26 -4.15 105.19 113.45 1tta n GLY 6 Ca 0.22 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1tta n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tta s GLU 7 N -4.98 1.27 0.00 1.61 2.12 -1.26 -1.48 118.70 115.98 1tta s GLU 7 Ca 0.00 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1tta s GLU 7 Cb 0.00 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.26 1tta s GLU 7 CO 0.00 0.11 0.00 0.45 -0.54 0.00 0.00 175.26 175.28 1tta n SER 8 N 3.43 2.53 -0.58 -1.70 2.88 -1.25 -4.91 113.62 114.03 1tta n SER 8 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1tta n SER 8 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1tta n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1tta n LYS 9 N 0.00 0.34 -2.80 -1.46 5.02 -1.26 -4.82 118.16 113.17 1tta n LYS 9 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1tta n LYS 9 Cb 0.00 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1tta n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tta h PRO 11 N 2.22 0.00 -3.52 0.00 0.11 -1.86 -3.44 132.00 125.51 1tta h PRO 11 Ca -0.26 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.47 1tta h PRO 11 Cb 0.96 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.70 1tta h PRO 11 CO 0.10 0.11 -0.75 -1.17 -0.21 0.00 0.00 178.00 176.09 1tta s LEU 12 N -6.28 0.56 0.05 2.35 2.96 -1.26 0.51 118.68 117.57 1tta s LEU 12 Ca 0.06 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1tta s LEU 12 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 1tta s LEU 12 CO 0.67 -0.19 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.08 1tta s MET 13 N 1.78 0.69 -0.05 1.98 -2.45 -0.09 -4.45 119.30 116.71 1tta s MET 13 Ca 0.01 -0.78 0.05 0.00 -1.25 0.00 0.00 55.69 53.72 1tta s MET 13 Cb -0.12 -0.59 -0.01 0.00 1.25 0.00 0.00 34.83 35.36 1tta s MET 13 CO -0.03 0.13 -0.19 0.08 1.05 0.00 0.00 175.02 176.05 1tta s VAL 14 N -1.15 1.61 -0.05 10.11 1.01 -0.89 -1.03 120.40 130.01 1tta s VAL 14 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1tta s VAL 14 Cb -0.09 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1tta s VAL 14 CO 0.01 0.46 -0.07 -0.54 0.00 0.00 0.00 175.10 174.96 1tta s LYS 15 N -0.05 1.06 -0.06 2.72 1.02 -0.45 -0.77 119.74 123.20 1tta s LYS 15 Ca -0.03 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1tta s LYS 15 Cb -0.12 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1tta s LYS 15 CO 0.02 -0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.35 1tta s VAL 16 N 0.76 1.37 0.14 3.17 1.01 -0.00 -1.07 120.40 125.77 1tta s VAL 16 Ca -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1tta s VAL 16 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1tta s VAL 16 CO 0.01 0.40 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1tta s LEU 17 N 0.33 2.37 -0.32 3.92 1.43 -0.47 -1.43 118.68 124.51 1tta s LEU 17 Ca -0.10 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1tta s LEU 17 Cb -0.14 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1tta s LEU 17 CO 0.04 0.02 0.15 -0.62 0.23 0.00 0.00 176.35 176.17 1tta s ASP 18 N -2.30 5.54 0.03 2.29 -1.08 0.68 -1.15 116.67 120.68 1tta s ASP 18 Ca 0.11 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1tta s ASP 18 Cb -0.08 -1.99 1.12 0.00 -1.46 0.00 0.00 42.92 40.52 1tta s ASP 18 CO 0.06 -0.24 1.87 0.00 0.52 0.00 0.00 175.17 177.37 1tta n ALA 19 N 4.97 2.26 -0.03 3.66 0.00 -0.15 -1.51 120.51 129.71 1tta n ALA 19 Ca -0.13 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1tta n ALA 19 Cb 0.48 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1tta n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tta h VAL 20 N 0.00 1.21 -0.02 0.00 2.07 -1.95 -3.39 116.25 114.18 1tta h VAL 20 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1tta h VAL 20 Cb 0.51 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1tta h VAL 20 CO 0.00 0.60 -0.37 0.54 0.02 0.00 0.00 177.57 178.37 1tta n ARG 21 N -4.19 1.46 -3.44 1.57 1.74 -1.25 -5.01 116.66 107.55 1tta n ARG 21 Ca -0.22 -1.12 -0.18 0.00 -0.77 0.00 0.00 57.85 55.56 1tta n ARG 21 Cb 0.76 -1.44 0.09 0.00 -1.02 0.00 0.00 32.46 30.86 1tta n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tta n GLY 22 N 1.35 -0.37 3.32 -0.13 0.00 -0.57 -5.02 105.19 103.77 1tta n GLY 22 Ca 0.09 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1tta n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tta s SER 23 N -4.26 0.09 0.58 1.61 1.04 -1.09 -5.00 113.70 106.66 1tta s SER 23 Ca 0.05 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 1tta s SER 23 Cb -0.02 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1tta s SER 23 CO 0.73 -0.88 1.17 -0.81 0.98 0.00 0.00 173.24 174.42 1tta n PRO 24 N -0.22 1.25 -3.18 4.02 -0.04 -1.26 -0.23 135.00 135.33 1tta n PRO 24 Ca -0.05 0.47 -0.44 0.00 -0.04 0.00 0.00 63.50 63.44 1tta n PRO 24 Cb 0.63 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 1tta n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tta s ALA 25 N -1.39 3.41 0.07 0.55 0.00 -0.51 -4.61 121.76 119.28 1tta s ALA 25 Ca 0.75 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1tta s ALA 25 Cb -0.42 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1tta s ALA 25 CO 0.47 -1.98 0.33 0.42 0.00 0.00 0.00 175.76 175.00 1tta s ILE 26 N 2.51 5.22 -1.59 0.00 1.01 -1.26 -4.37 121.20 122.72 1tta s ILE 26 Ca 0.14 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1tta s ILE 26 Cb -0.20 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1tta s ILE 26 CO 0.11 0.23 0.53 -3.20 0.00 0.00 0.00 174.94 172.61 1tta n ASN 27 N 0.68 -6.12 -4.71 3.58 5.15 0.22 -4.93 115.26 109.13 1tta n ASN 27 Ca -0.07 -0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.27 1tta n ASN 27 Cb 0.52 -4.95 -0.06 0.00 -0.53 0.00 0.00 39.78 34.76 1tta n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tta s VAL 28 N -3.16 5.14 0.20 3.44 1.01 -1.26 -4.75 120.40 121.02 1tta s VAL 28 Ca 0.26 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1tta s VAL 28 Cb -0.12 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1tta s VAL 28 CO 0.32 0.29 1.05 0.00 0.00 0.00 0.00 175.10 176.77 1tta s ALA 29 N 0.80 3.35 -0.05 5.51 0.00 -1.26 -0.83 121.76 129.28 1tta s ALA 29 Ca 0.29 0.76 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1tta s ALA 29 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1tta s ALA 29 CO 0.12 -0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.79 1tta s VAL 30 N -0.53 0.72 -0.05 0.00 1.01 -0.35 -0.85 120.40 120.35 1tta s VAL 30 Ca 0.47 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1tta s VAL 30 Cb -0.28 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1tta s VAL 30 CO 0.35 0.27 -0.23 -1.00 0.00 0.00 0.00 175.10 174.48 1tta s HIS 31 N 0.88 2.46 -0.07 5.22 3.76 -0.38 -1.49 115.29 125.67 1tta s HIS 31 Ca -0.12 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1tta s HIS 31 Cb -0.15 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 1tta s HIS 31 CO 0.01 -0.09 -0.13 0.08 -0.85 0.00 0.00 174.74 173.76 1tta s VAL 32 N -0.38 3.18 0.07 -0.90 1.01 0.28 -0.79 120.40 122.86 1tta s VAL 32 Ca 0.03 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1tta s VAL 32 Cb -0.12 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1tta s VAL 32 CO 0.02 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.17 1tta s PHE 33 N -0.47 1.42 -0.06 5.22 0.08 0.24 -0.46 117.98 123.95 1tta s PHE 33 Ca 0.06 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.74 1tta s PHE 33 Cb -0.12 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1tta s PHE 33 CO 0.02 0.09 -0.16 0.50 -0.10 0.00 0.00 175.22 175.56 1tta s ARG 34 N -1.54 2.61 -0.08 0.44 3.52 0.40 -1.08 118.95 123.23 1tta s ARG 34 Ca 0.02 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 1tta s ARG 34 Cb -0.09 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 1tta s ARG 34 CO 0.02 0.52 1.27 0.21 -0.81 0.00 0.00 175.30 176.52 1tta s LYS 35 N -0.48 4.30 0.67 5.12 2.20 0.40 -1.24 119.74 130.71 1tta s LYS 35 Ca 0.06 1.74 -0.04 0.00 -0.36 0.00 0.00 55.97 57.37 1tta s LYS 35 Cb -0.12 -3.64 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 1tta s LYS 35 CO 0.02 -0.56 0.95 0.00 -0.36 0.00 0.00 175.35 175.40 1tta s ALA 36 N 2.69 3.39 0.31 3.13 0.00 0.11 -4.74 121.76 126.65 1tta s ALA 36 Ca 0.58 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1tta s ALA 36 Cb -0.25 -2.41 0.49 0.00 0.00 0.00 0.00 23.12 20.95 1tta s ALA 36 CO 0.21 -1.19 1.98 0.00 0.00 0.00 0.00 175.76 176.76 1tta h ALA 37 N -0.43 1.45 0.00 0.00 0.00 -1.95 0.87 119.26 119.20 1tta h ALA 37 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1tta h ALA 37 Cb 1.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1tta h ALA 37 CO 0.56 0.50 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 1tta n ASP 38 N -4.42 0.14 -1.21 0.00 5.68 -1.26 -4.84 116.55 110.64 1tta n ASP 38 Ca 0.09 -1.48 -0.13 0.00 -0.50 0.00 0.00 54.79 52.78 1tta n ASP 38 Cb 0.04 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 1tta n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1tta n ASP 39 N -0.38 -4.27 -4.77 -1.12 8.00 0.30 -5.02 116.55 109.29 1tta n ASP 39 Ca 0.00 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.43 1tta n ASP 39 Cb 0.03 -3.18 -0.05 0.00 -0.02 0.00 0.00 41.12 37.91 1tta n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1tta s THR 40 N -2.55 3.46 -0.37 -3.53 -4.23 -1.25 -4.87 115.64 102.30 1tta s THR 40 Ca 0.00 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 58.77 1tta s THR 40 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1tta s THR 40 CO 0.00 -0.23 0.39 0.26 -0.54 0.00 0.00 174.62 174.49 1tta s TRP 41 N -2.33 3.20 -0.17 3.99 0.52 -1.26 0.06 118.94 122.94 1tta s TRP 41 Ca 0.37 -0.17 -0.21 0.00 0.02 0.00 0.00 56.10 56.11 1tta s TRP 41 Cb -0.05 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 1tta s TRP 41 CO 0.24 -0.53 0.65 -2.00 0.02 0.00 0.00 176.95 175.32 1tta s GLU 42 N 2.05 4.25 0.28 4.98 2.12 -0.37 -4.88 118.70 127.12 1tta s GLU 42 Ca 0.12 0.68 -0.28 0.00 0.36 0.00 0.00 54.97 55.84 1tta s GLU 42 Cb -0.17 -3.55 -0.14 0.00 0.26 0.00 0.00 34.13 30.53 1tta s GLU 42 CO 0.12 -0.19 1.03 -2.30 -0.54 0.00 0.00 175.26 173.38 1tta n PRO 43 N 4.84 1.35 0.00 4.30 -0.02 -1.26 -0.45 135.00 143.75 1tta n PRO 43 Ca -0.01 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1tta n PRO 43 Cb 0.50 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1tta n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tta n PHE 44 N 0.34 0.00 -3.50 6.00 7.35 0.39 -4.75 117.46 123.29 1tta n PHE 44 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 1tta n PHE 44 Cb 0.31 0.13 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1tta n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tta s ALA 45 N -1.86 -1.73 0.19 3.13 0.00 -1.01 -4.73 121.76 115.75 1tta s ALA 45 Ca 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 1tta s ALA 45 Cb 0.00 0.58 0.06 0.00 0.00 0.00 0.00 23.12 23.76 1tta s ALA 45 CO 0.00 -0.74 0.67 -1.54 0.00 0.00 0.00 175.76 174.15 1tta s SER 46 N -2.60 -0.45 -0.03 0.00 1.04 -1.26 -0.56 113.70 109.85 1tta s SER 46 Ca 0.04 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.18 1tta s SER 46 Cb -0.01 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1tta s SER 46 CO -0.09 -1.06 0.39 0.61 0.98 0.00 0.00 173.24 174.07 1tta n GLY 47 N -0.40 0.33 3.17 7.32 0.00 -0.56 -4.14 105.19 110.92 1tta n GLY 47 Ca -0.12 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 1tta n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tta s LYS 48 N -2.00 1.65 0.45 1.61 1.02 -1.26 -1.22 119.74 120.00 1tta s LYS 48 Ca 0.09 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 1tta s LYS 48 Cb -0.00 -1.53 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 1tta s LYS 48 CO -0.01 0.35 1.31 0.95 -0.92 0.00 0.00 175.35 177.03 1tta s THR 49 N -0.26 2.48 0.96 2.17 -4.23 -0.01 -4.58 115.64 112.17 1tta s THR 49 Ca 0.03 0.40 -0.16 0.00 -1.18 0.00 0.00 61.69 60.78 1tta s THR 49 Cb -0.09 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1tta s THR 49 CO 0.00 0.04 1.09 -1.54 -0.54 0.00 0.00 174.62 173.67 1tta n SER 50 N -0.29 -0.78 0.25 3.99 3.41 -0.67 -0.61 113.62 118.91 1tta n SER 50 Ca 0.06 -1.29 0.17 0.00 -0.26 0.00 0.00 58.87 57.55 1tta n SER 50 Cb 0.44 -0.90 0.75 0.00 -0.26 0.00 0.00 64.21 64.24 1tta n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tta h GLU 51 N 0.00 0.00 -0.66 4.33 4.39 -1.94 -0.39 114.58 120.31 1tta h GLU 51 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1tta h GLU 51 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1tta h GLU 51 CO 0.26 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.98 1tta n SER 52 N -2.82 4.37 -0.55 1.42 3.41 -1.26 -4.81 113.62 113.38 1tta n SER 52 Ca -0.00 -2.33 -0.07 0.00 -0.26 0.00 0.00 58.87 56.21 1tta n SER 52 Cb 0.21 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 1tta n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tta n GLY 53 N 1.22 0.92 3.69 5.00 0.00 -0.16 -4.84 105.19 111.02 1tta n GLY 53 Ca 0.24 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1tta n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tta s GLU 54 N -2.41 2.47 -0.15 1.61 2.02 -1.26 -0.82 118.70 120.16 1tta s GLU 54 Ca 0.00 -1.18 -0.03 0.00 0.02 0.00 0.00 54.97 53.78 1tta s GLU 54 Cb 0.00 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.94 1tta s GLU 54 CO 0.00 0.42 0.05 -1.17 0.02 0.00 0.00 175.26 174.59 1tta s LEU 55 N -3.29 0.64 0.50 1.80 0.20 0.05 -1.68 118.68 116.90 1tta s LEU 55 Ca 0.29 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.62 1tta s LEU 55 Cb -0.08 -0.38 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 1tta s LEU 55 CO 0.20 -0.30 0.01 -1.00 -0.29 0.00 0.00 176.35 174.97 1tta s HIS 56 N 2.02 1.92 -1.50 5.38 3.76 -1.26 -2.09 115.29 123.52 1tta s HIS 56 Ca 0.02 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 1tta s HIS 56 Cb -0.15 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1tta s HIS 56 CO -0.07 0.24 0.72 0.41 -0.85 0.00 0.00 174.74 175.18 1tta n GLY 57 N -1.23 -0.53 0.10 -2.22 0.00 -1.26 -3.69 105.19 96.36 1tta n GLY 57 Ca -0.18 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1tta n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tta h LEU 58 N -1.63 0.25 0.00 0.99 3.38 -1.78 0.36 115.31 116.89 1tta h LEU 58 Ca -0.53 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.02 1tta h LEU 58 Cb 1.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1tta h LEU 58 CO 0.57 1.17 0.04 1.07 0.09 0.00 0.00 178.44 181.38 1tta n THR 59 N -3.50 0.00 -4.40 0.22 5.66 -0.55 -0.81 114.28 110.90 1tta n THR 59 Ca -0.05 -1.36 -0.20 0.00 -3.05 0.00 0.00 64.05 59.39 1tta n THR 59 Cb 0.95 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.63 1tta n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tta s THR 60 N -2.51 1.74 0.36 1.09 -4.23 -1.26 -3.78 115.64 107.06 1tta s THR 60 Ca 0.22 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1tta s THR 60 Cb -0.03 -2.28 0.22 0.00 1.34 0.00 0.00 72.50 71.76 1tta s THR 60 CO 0.16 -0.42 1.97 -0.33 -0.54 0.00 0.00 174.62 175.46 1tta h GLU 61 N 2.39 0.65 -0.16 3.99 5.08 -1.95 -1.58 114.58 123.00 1tta h GLU 61 Ca -0.39 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1tta h GLU 61 Cb 1.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1tta h GLU 61 CO 0.65 0.51 -0.44 0.93 -1.00 0.00 0.00 179.01 179.65 1tta h GLU 62 N 0.65 0.40 0.00 2.33 4.39 -2.04 -3.24 114.58 117.08 1tta h GLU 62 Ca 0.16 -0.21 -0.25 0.00 0.34 0.00 0.00 59.36 59.41 1tta h GLU 62 Cb 0.08 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1tta h GLU 62 CO -0.02 0.77 -1.38 0.93 -1.16 0.00 0.00 179.01 178.15 1tta h GLU 63 N 0.32 0.00 -4.72 2.33 5.08 -1.90 -3.41 114.58 112.29 1tta h GLU 63 Ca 0.02 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.68 1tta h GLU 63 Cb 0.91 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1tta h GLU 63 CO 0.08 0.69 2.67 0.34 -1.00 0.00 0.00 179.01 181.79 1tta n PHE 64 N -3.17 3.99 -2.17 4.33 7.35 -0.63 -4.95 117.46 122.22 1tta n PHE 64 Ca -0.09 -2.93 -0.28 0.00 -0.76 0.00 0.00 57.45 53.38 1tta n PHE 64 Cb 0.99 -2.55 0.03 0.00 0.35 0.00 0.00 39.48 38.30 1tta n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tta s VAL 65 N 3.40 3.79 0.42 -2.13 -7.23 -1.26 -4.97 120.40 112.43 1tta s VAL 65 Ca 0.49 0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 60.70 1tta s VAL 65 Cb 0.09 -3.54 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 1tta s VAL 65 CO -0.02 -0.62 1.19 -0.62 -0.31 0.00 0.00 175.10 174.72 1tta n GLU 66 N -2.73 1.74 -3.97 4.82 1.02 -1.26 -4.89 120.64 115.36 1tta n GLU 66 Ca 0.05 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1tta n GLU 66 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1tta n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tta n GLY 67 N 0.92 -2.25 3.70 0.62 0.00 -1.00 -4.96 105.19 102.22 1tta n GLY 67 Ca 0.08 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1tta n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tta s ILE 68 N -2.43 5.19 0.16 -0.61 1.01 -1.26 -0.14 121.20 123.12 1tta s ILE 68 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1tta s ILE 68 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1tta s ILE 68 CO 0.00 0.46 -0.22 -0.31 0.00 0.00 0.00 174.94 174.87 1tta s TYR 69 N 0.28 2.04 -0.07 3.97 1.51 -0.47 -0.45 117.35 124.15 1tta s TYR 69 Ca 0.07 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1tta s TYR 69 Cb -0.11 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1tta s TYR 69 CO -0.01 0.37 -0.12 0.21 -1.11 0.00 0.00 175.55 174.89 1tta s LYS 70 N -2.54 1.72 -0.20 -0.62 2.20 -0.24 -1.33 119.74 118.74 1tta s LYS 70 Ca 0.16 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1tta s LYS 70 Cb -0.08 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.79 1tta s LYS 70 CO 0.07 0.00 -0.05 0.08 -0.36 0.00 0.00 175.35 175.10 1tta s VAL 71 N 0.75 3.42 -0.19 4.02 1.01 0.69 -0.59 120.40 129.51 1tta s VAL 71 Ca -0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1tta s VAL 71 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1tta s VAL 71 CO 0.03 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 174.82 1tta s GLU 72 N 1.16 3.47 -0.19 2.72 2.12 0.03 0.22 118.70 128.24 1tta s GLU 72 Ca 0.02 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 1tta s GLU 72 Cb -0.14 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 1tta s GLU 72 CO -0.01 -0.02 -0.06 0.42 -0.54 0.00 0.00 175.26 175.06 1tta s ILE 73 N 1.02 3.42 -1.29 -3.70 1.01 0.15 -1.25 121.20 120.56 1tta s ILE 73 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1tta s ILE 73 Cb -0.15 -2.52 0.09 0.00 0.01 0.00 0.00 42.46 39.90 1tta s ILE 73 CO 0.00 0.46 1.71 -0.67 0.00 0.00 0.00 174.94 176.44 1tta n ASP 74 N 4.30 4.92 0.06 3.58 2.03 -0.03 -1.42 116.55 130.00 1tta n ASP 74 Ca -0.18 -2.93 -0.07 0.00 0.52 0.00 0.00 54.79 52.12 1tta n ASP 74 Cb 0.52 -1.69 0.07 0.00 -0.72 0.00 0.00 41.12 39.30 1tta n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tta h THR 75 N 5.17 1.39 -0.47 5.18 1.35 -1.87 -3.23 112.91 120.42 1tta h THR 75 Ca 0.43 -2.06 0.01 0.00 -0.55 0.00 0.00 66.41 64.24 1tta h THR 75 Cb 0.84 2.05 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1tta h THR 75 CO 1.45 0.61 0.29 0.50 -0.25 0.00 0.00 175.52 178.13 1tta h LYS 76 N 0.23 0.58 -0.97 4.72 3.64 -1.74 -2.27 116.57 120.76 1tta h LYS 76 Ca -0.02 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1tta h LYS 76 Cb 1.20 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1tta h LYS 76 CO 0.11 0.38 0.63 0.77 -2.27 0.00 0.00 179.45 179.06 1tta h SER 77 N 0.59 1.02 0.22 4.20 0.02 -1.88 -2.01 113.55 115.72 1tta h SER 77 Ca 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1tta h SER 77 Cb -0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1tta h SER 77 CO -0.06 0.68 -0.11 0.22 -1.14 0.00 0.00 176.83 176.41 1tta h TYR 78 N 1.17 -0.30 -0.42 3.45 3.20 -1.44 -1.40 116.97 121.24 1tta h TYR 78 Ca 0.40 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 1tta h TYR 78 Cb 0.09 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1tta h TYR 78 CO -0.01 -0.18 -0.04 -1.49 -1.64 0.00 0.00 178.16 174.80 1tta h TRP 79 N -0.31 0.85 -0.95 -3.82 4.06 -1.38 -2.95 115.95 111.46 1tta h TRP 79 Ca -0.03 -0.16 0.10 0.00 2.06 0.00 0.00 58.89 60.86 1tta h TRP 79 Cb 0.24 -0.22 -0.08 0.00 -1.00 0.00 0.00 29.16 28.11 1tta h TRP 79 CO -0.07 0.86 0.58 0.87 -3.56 0.00 0.00 178.44 177.12 1tta h LYS 80 N 0.61 0.93 0.00 0.49 1.79 -1.31 -0.92 116.57 118.16 1tta h LYS 80 Ca 0.12 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1tta h LYS 80 Cb 0.54 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1tta h LYS 80 CO 0.03 0.62 -0.14 0.00 -1.08 0.00 0.00 179.45 178.87 1tta h ALA 81 N 1.50 1.46 -0.01 3.86 0.00 -1.07 -1.31 119.26 123.68 1tta h ALA 81 Ca 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1tta h ALA 81 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1tta h ALA 81 CO -0.24 0.18 -0.19 1.28 0.00 0.00 0.00 179.25 180.28 1tta n LEU 82 N -3.92 1.03 -1.58 0.00 4.32 -0.47 -4.94 117.00 111.44 1tta n LEU 82 Ca -0.02 -0.27 -0.10 0.00 -0.02 0.00 0.00 56.01 55.60 1tta n LEU 82 Cb 0.24 -0.11 0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1tta n LEU 82 CO 0.32 0.19 0.03 0.61 -1.22 0.00 0.00 177.39 177.33 1tta n GLY 83 N 1.30 0.20 3.18 -0.72 0.00 -0.49 -5.05 105.19 103.61 1tta n GLY 83 Ca 0.14 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1tta n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tta s ILE 84 N -2.91 1.74 -0.40 -0.61 1.01 -0.52 -5.02 121.20 114.49 1tta s ILE 84 Ca 0.17 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 1tta s ILE 84 Cb -0.08 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1tta s ILE 84 CO 0.21 0.49 1.07 -0.55 0.00 0.00 0.00 174.94 176.16 1tta s SER 85 N 0.14 6.74 0.37 3.58 0.15 -1.26 -3.48 113.70 119.94 1tta s SER 85 Ca -0.09 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.26 1tta s SER 85 Cb -0.14 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1tta s SER 85 CO 0.05 -1.04 0.56 -2.16 1.20 0.00 0.00 173.24 171.85 1tta s PRO 86 N 3.95 3.23 -0.17 5.44 0.04 -1.26 -4.87 135.00 141.36 1tta s PRO 86 Ca 0.45 -0.60 -0.22 0.00 0.04 0.00 0.00 61.00 60.67 1tta s PRO 86 Cb -0.10 -2.68 -0.23 0.00 0.04 0.00 0.00 34.50 31.53 1tta s PRO 86 CO 0.23 -0.00 0.42 0.35 0.04 0.00 0.00 177.00 178.04 1tta h PHE 87 N 0.69 0.11 -3.90 0.56 3.57 -1.45 -3.48 116.94 113.04 1tta h PHE 87 Ca -0.48 -0.08 -0.47 0.00 3.53 0.00 0.00 57.97 60.48 1tta h PHE 87 Cb 1.24 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1tta h PHE 87 CO 0.46 1.40 0.34 -1.01 -2.23 0.00 0.00 178.31 177.27 1tta s HIS 88 N -2.36 3.64 0.23 0.41 3.76 -1.26 -4.98 115.29 114.73 1tta s HIS 88 Ca -0.25 1.75 0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1tta s HIS 88 Cb 0.04 -2.90 0.23 0.00 1.11 0.00 0.00 32.58 31.05 1tta s HIS 88 CO 0.66 0.17 1.56 0.93 -0.85 0.00 0.00 174.74 177.21 1tta h GLU 89 N 3.02 0.36 -1.99 1.40 4.39 -1.98 -3.38 114.58 116.40 1tta h GLU 89 Ca -0.47 -0.23 0.28 0.00 0.34 0.00 0.00 59.36 59.28 1tta h GLU 89 Cb 1.19 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 1tta h GLU 89 CO 0.64 0.82 0.76 -3.38 -1.16 0.00 0.00 179.01 176.69 1tta s HIS 90 N -3.91 -0.01 -0.11 4.33 -3.43 -1.26 -3.67 115.29 107.23 1tta s HIS 90 Ca -0.05 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.05 1tta s HIS 90 Cb 0.12 0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 31.86 1tta s HIS 90 CO 0.81 -0.48 -0.21 0.00 -2.00 0.00 0.00 174.74 172.86 1tta s ALA 91 N -2.36 2.27 -0.07 -1.38 0.00 -0.51 -4.90 121.76 114.82 1tta s ALA 91 Ca 0.20 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1tta s ALA 91 Cb 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1tta s ALA 91 CO -0.00 0.22 -0.24 -1.21 0.00 0.00 0.00 175.76 174.52 1tta s GLU 92 N 0.44 2.66 -0.17 0.00 2.02 -1.26 0.32 118.70 122.71 1tta s GLU 92 Ca -0.15 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 53.96 1tta s GLU 92 Cb -0.17 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 31.88 1tta s GLU 92 CO 0.06 0.36 -0.12 0.08 0.02 0.00 0.00 175.26 175.66 1tta s VAL 93 N -0.10 1.60 -0.13 2.63 1.01 0.13 -4.97 120.40 120.59 1tta s VAL 93 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1tta s VAL 93 Cb -0.14 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1tta s VAL 93 CO 0.04 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 1tta s VAL 94 N 1.45 2.48 0.11 2.92 1.01 -1.26 -0.22 120.40 126.89 1tta s VAL 94 Ca 0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1tta s VAL 94 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1tta s VAL 94 CO -0.10 0.54 0.30 0.72 0.00 0.00 0.00 175.10 176.56 1tta s PHE 95 N 0.51 0.01 -0.11 5.22 -0.71 -0.44 -5.02 117.98 117.43 1tta s PHE 95 Ca -0.12 -0.38 -0.11 0.00 -1.04 0.00 0.00 56.93 55.28 1tta s PHE 95 Cb -0.17 0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 1tta s PHE 95 CO 0.05 -0.64 0.23 0.99 -1.34 0.00 0.00 175.22 174.51 1tta s THR 96 N -3.84 5.34 -0.22 -4.49 2.01 -1.26 -1.37 115.64 111.80 1tta s THR 96 Ca 0.05 0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.34 1tta s THR 96 Cb 0.03 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1tta s THR 96 CO -0.10 0.54 0.26 0.00 -0.69 0.00 0.00 174.62 174.63 1tta s ALA 97 N -0.53 3.59 -0.00 7.40 0.00 0.80 -4.96 121.76 128.04 1tta s ALA 97 Ca 0.16 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1tta s ALA 97 Cb -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1tta s ALA 97 CO 0.05 -0.24 -0.21 -0.80 0.00 0.00 0.00 175.76 174.56 1tta s ASN 98 N 1.06 2.45 0.17 0.00 -0.87 -1.26 -2.39 114.94 114.10 1tta s ASN 98 Ca 0.13 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 1tta s ASN 98 Cb -0.14 -0.26 0.03 0.00 -0.02 0.00 0.00 41.25 40.86 1tta s ASN 98 CO 0.06 0.24 1.41 0.44 -2.57 0.00 0.00 177.10 176.67 1tta h ASP 99 N 5.48 0.38 -0.44 -1.22 3.32 -1.98 -3.32 116.42 118.64 1tta h ASP 99 Ca -0.40 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 56.42 1tta h ASP 99 Cb 1.14 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1tta h ASP 99 CO 0.47 1.04 -0.33 0.28 -1.72 0.00 0.00 179.24 178.98 1tta h SER 100 N 0.19 -1.16 -3.29 6.45 0.02 -2.04 -3.44 113.55 110.28 1tta h SER 100 Ca -0.04 0.17 -0.42 0.00 -0.84 0.00 0.00 61.79 60.66 1tta h SER 100 Cb 1.40 0.50 0.20 0.00 0.14 0.00 0.00 62.40 64.65 1tta h SER 100 CO 0.13 -0.17 0.01 -0.83 -1.14 0.00 0.00 176.83 174.83 1tta s GLY 101 N -1.82 1.51 0.95 -3.77 0.00 -1.25 -4.97 107.32 97.97 1tta s GLY 101 Ca -0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 1tta s GLY 101 CO 0.35 0.32 0.30 -1.05 0.00 0.00 0.00 173.10 173.02 1tta n PRO 102 N -5.05 -0.26 -0.03 2.90 -0.02 -1.26 -4.97 135.00 126.30 1tta n PRO 102 Ca 0.07 -0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1tta n PRO 102 Cb 0.57 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 32.13 1tta n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1tta n ARG 103 N -1.33 0.66 -3.70 -0.52 1.74 0.39 -4.72 116.66 109.18 1tta n ARG 103 Ca 0.06 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1tta n ARG 103 Cb 0.54 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1tta n ARG 103 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1tta s ARG 104 N -3.03 3.89 -0.18 5.56 3.00 -0.20 -4.76 118.95 123.23 1tta s ARG 104 Ca -0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 55.73 54.65 1tta s ARG 104 Cb 0.10 -3.31 0.00 0.00 0.00 0.00 0.00 34.95 31.75 1tta s ARG 104 CO 0.86 0.52 -0.14 0.71 0.00 0.00 0.00 175.30 177.25 1tta s TYR 105 N -0.35 2.83 -0.21 5.12 1.51 0.18 -2.12 117.35 124.31 1tta s TYR 105 Ca 0.15 -1.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1tta s TYR 105 Cb -0.13 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1tta s TYR 105 CO 0.04 -0.58 -0.06 0.99 -1.11 0.00 0.00 175.55 174.83 1tta s THR 106 N 1.11 3.27 -0.28 -0.71 2.01 -0.44 -0.92 115.64 119.69 1tta s THR 106 Ca 0.00 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 1tta s THR 106 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1tta s THR 106 CO -0.04 0.43 0.15 -0.63 -0.69 0.00 0.00 174.62 173.84 1tta s ILE 107 N 1.43 4.85 0.05 1.82 -1.09 -0.20 -0.23 121.20 127.84 1tta s ILE 107 Ca 0.05 -0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.44 1tta s ILE 107 Cb -0.14 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1tta s ILE 107 CO -0.04 0.22 -0.12 0.00 -1.23 0.00 0.00 174.94 173.77 1tta s ALA 108 N 1.68 2.84 -0.03 9.38 0.00 -0.34 -1.34 121.76 133.94 1tta s ALA 108 Ca 0.06 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1tta s ALA 108 Cb -0.16 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1tta s ALA 108 CO 0.08 0.61 -0.04 0.00 0.00 0.00 0.00 175.76 176.41 1tta s ALA 109 N -1.05 0.54 -0.22 0.00 0.00 -0.24 -1.49 121.76 119.31 1tta s ALA 109 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1tta s ALA 109 Cb -0.11 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1tta s ALA 109 CO 0.09 0.02 -0.09 -1.17 0.00 0.00 0.00 175.76 174.61 1tta s LEU 110 N 0.65 2.86 -0.14 0.00 2.96 0.29 -1.37 118.68 123.94 1tta s LEU 110 Ca -0.08 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1tta s LEU 110 Cb -0.11 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1tta s LEU 110 CO -0.00 -0.07 0.05 -0.76 -1.32 0.00 0.00 176.35 174.25 1tta s LEU 111 N 1.36 3.80 0.23 -0.68 1.43 -0.30 -1.66 118.68 122.85 1tta s LEU 111 Ca 0.03 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1tta s LEU 111 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1tta s LEU 111 CO -0.06 0.27 -0.03 -0.44 0.23 0.00 0.00 176.35 176.33 1tta s SER 112 N -0.24 1.99 0.26 2.29 0.01 -0.07 -0.98 113.70 116.96 1tta s SER 112 Ca 0.07 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.10 1tta s SER 112 Cb -0.12 -0.02 0.30 0.00 0.21 0.00 0.00 66.02 66.38 1tta s SER 112 CO 0.02 -0.46 1.94 -0.65 0.41 0.00 0.00 173.24 174.49 1tta h PRO 113 N 2.48 1.27 -0.19 12.44 0.11 -1.99 -2.93 132.00 143.19 1tta h PRO 113 Ca -0.38 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1tta h PRO 113 Cb 1.22 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1tta h PRO 113 CO 0.65 0.85 0.00 0.66 -0.21 0.00 0.00 178.00 179.94 1tta n TYR 114 N -4.38 0.55 -3.59 0.65 4.02 -1.26 -1.07 117.16 112.08 1tta n TYR 114 Ca 0.11 -0.79 -0.16 0.00 -0.01 0.00 0.00 57.90 57.05 1tta n TYR 114 Cb 0.02 -0.20 -0.06 0.00 -0.02 0.00 0.00 39.34 39.08 1tta n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tta s SER 115 N -1.87 -0.50 0.07 7.72 0.15 -1.11 -4.97 113.70 113.20 1tta s SER 115 Ca 0.32 0.44 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 1tta s SER 115 Cb 0.25 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1tta s SER 115 CO 0.08 -0.60 0.24 -0.72 1.20 0.00 0.00 173.24 173.44 1tta s TYR 116 N -1.53 0.02 0.05 3.44 -0.85 -1.26 -0.89 117.35 116.33 1tta s TYR 116 Ca -0.10 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 1tta s TYR 116 Cb -0.01 0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 1tta s TYR 116 CO 0.06 -0.52 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.88 1tta s SER 117 N -2.44 1.73 0.02 -0.18 1.04 -0.67 -4.99 113.70 108.21 1tta s SER 117 Ca -0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1tta s SER 117 Cb 0.02 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1tta s SER 117 CO -0.07 0.01 -0.10 0.28 0.98 0.00 0.00 173.24 174.34 1tta s THR 118 N -0.98 0.74 0.02 2.02 -1.32 -1.26 -0.55 115.64 114.32 1tta s THR 118 Ca 0.01 -0.66 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 1tta s THR 118 Cb -0.09 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.21 1tta s THR 118 CO 0.02 0.02 -0.05 0.28 -2.21 0.00 0.00 174.62 172.68 1tta s THR 119 N -0.60 0.32 -0.16 5.08 -1.32 -0.55 -4.99 115.64 113.42 1tta s THR 119 Ca 0.00 -0.81 -0.05 0.00 -1.21 0.00 0.00 61.69 59.62 1tta s THR 119 Cb -0.06 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 1tta s THR 119 CO 0.00 -0.32 -0.01 0.00 -2.21 0.00 0.00 174.62 172.08 1tta s ALA 120 N -1.12 3.10 -0.30 11.08 0.00 -1.26 -1.20 121.76 132.06 1tta s ALA 120 Ca -0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1tta s ALA 120 Cb -0.08 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1tta s ALA 120 CO -0.00 0.19 0.04 0.08 0.00 0.00 0.00 175.76 176.06 1tta s VAL 121 N 0.39 3.44 -0.27 0.00 1.01 0.68 -4.98 120.40 120.67 1tta s VAL 121 Ca -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 1tta s VAL 121 Cb -0.14 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1tta s VAL 121 CO 0.02 -0.01 0.05 -0.69 0.00 0.00 0.00 175.10 174.47 1tta s VAL 122 N 1.38 3.91 0.29 2.92 1.01 -1.26 -1.32 120.40 127.32 1tta s VAL 122 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1tta s VAL 122 Cb -0.18 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1tta s VAL 122 CO 0.00 0.22 0.13 0.42 0.00 0.00 0.00 175.10 175.88 1tta s THR 123 N 1.52 0.43 -0.19 3.92 -4.23 -0.90 -4.85 115.64 111.33 1tta s THR 123 Ca 0.04 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.36 1tta s THR 123 Cb -0.16 -2.56 -0.16 0.00 1.34 0.00 0.00 72.50 70.96 1tta s THR 123 CO 0.01 0.00 0.16 0.78 -0.54 0.00 0.00 174.62 175.03 1tta h ASN 124 N 2.28 0.00 0.00 3.99 4.21 -1.91 0.16 115.58 124.31 1tta h ASN 124 Ca -0.36 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 56.73 1tta h ASN 124 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1tta h ASN 124 CO 0.56 1.33 0.00 -2.65 -1.29 0.00 0.00 177.43 175.38 1tta n PRO 125 N -4.48 2.42 -4.31 0.81 -0.01 -1.26 -4.67 135.00 123.51 1tta n PRO 125 Ca -0.27 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 62.88 1tta n PRO 125 Cb 0.59 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.98 1tta n PRO 125 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1tta s LYS 126 N 0.00 3.28 0.00 -0.52 1.02 -1.26 -4.68 119.74 117.58 1tta s LYS 126 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1tta s LYS 126 Cb 0.00 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1tta s LYS 126 CO 0.00 0.55 0.00 -0.85 -0.92 0.00 0.00 175.35 174.13