#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 s SER 2 N 0.00 3.19 -0.30 1.61 1.04 -1.26 -5.09 113.70 112.90 2ds4 s SER 2 Ca 0.00 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.46 2ds4 s SER 2 Cb 0.00 -0.81 0.17 0.00 0.10 0.00 0.00 66.02 65.49 2ds4 s SER 2 CO 0.00 -0.27 0.71 -0.55 0.98 0.00 0.00 173.24 174.10 2ds4 s SER 3 N 1.69 -1.14 0.17 7.02 0.15 -1.26 -5.17 113.70 115.17 2ds4 s SER 3 Ca -0.02 0.94 -0.19 0.00 0.70 0.00 0.00 55.95 57.38 2ds4 s SER 3 Cb -0.17 2.05 0.04 0.00 -1.71 0.00 0.00 66.02 66.22 2ds4 s SER 3 CO -0.07 -0.21 0.53 -0.83 1.20 0.00 0.00 173.24 173.85 2ds4 s GLY 4 N 2.85 -0.30 0.37 9.45 0.00 -1.26 -5.18 107.32 113.25 2ds4 s GLY 4 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.89 2ds4 s GLY 4 CO -0.19 -0.13 0.10 -1.35 0.00 0.00 0.00 173.10 171.53 2ds4 s SER 5 N -2.82 2.50 0.10 1.64 1.04 -1.26 -5.05 113.70 109.84 2ds4 s SER 5 Ca 0.05 -1.55 -0.19 0.00 0.48 0.00 0.00 55.95 54.74 2ds4 s SER 5 Cb -0.01 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2ds4 s SER 5 CO -0.07 -0.81 1.18 -0.24 0.98 0.00 0.00 173.24 174.28 2ds4 n SER 6 N -1.02 -0.66 0.00 7.02 2.88 -1.26 -4.86 113.62 115.72 2ds4 n SER 6 Ca -0.04 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2ds4 n SER 6 Cb 0.66 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ds4 n GLY 7 N -1.16 -1.98 3.35 0.46 0.00 -1.26 -5.04 105.19 99.56 2ds4 n GLY 7 Ca 0.01 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 8 N 0.00 1.52 0.21 1.61 -1.05 -1.26 -5.09 118.70 114.64 2ds4 s GLU 8 Ca 0.00 -1.67 -0.30 0.00 -0.15 0.00 0.00 54.97 52.85 2ds4 s GLU 8 Cb 0.00 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.96 2ds4 s GLU 8 CO 0.00 -0.57 1.06 0.54 0.95 0.00 0.00 175.26 177.24 2ds4 s VAL 9 N -3.76 3.86 -0.09 1.83 0.11 -1.26 -3.34 120.40 117.75 2ds4 s VAL 9 Ca 0.35 1.71 0.04 0.00 -2.93 0.00 0.00 61.98 61.15 2ds4 s VAL 9 Cb 0.03 -4.09 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2ds4 s VAL 9 CO 0.16 0.34 -0.23 -0.62 -3.33 0.00 0.00 175.10 171.43 2ds4 s ASP 10 N -0.50 3.21 0.11 3.54 2.15 -0.77 -4.89 116.67 119.52 2ds4 s ASP 10 Ca 0.46 -0.51 -0.14 0.00 0.43 0.00 0.00 52.55 52.80 2ds4 s ASP 10 Cb -0.29 -1.22 -0.08 0.00 -0.30 0.00 0.00 42.92 41.04 2ds4 s ASP 10 CO 0.36 0.20 1.43 1.55 -0.17 0.00 0.00 175.17 178.53 2ds4 h PRO 11 N 6.44 0.76 -0.04 4.34 0.13 -1.87 -2.11 132.00 139.65 2ds4 h PRO 11 Ca -0.25 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.49 2ds4 h PRO 11 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ds4 h PRO 11 CO 0.48 1.02 0.04 0.00 -0.23 0.00 0.00 178.00 179.32 2ds4 h ALA 12 N 0.72 1.67 0.00 -0.56 0.00 -1.88 -0.92 119.26 118.30 2ds4 h ALA 12 Ca 0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2ds4 h ALA 12 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2ds4 h ALA 12 CO 0.08 -0.07 -1.40 1.63 0.00 0.00 0.00 179.25 179.49 2ds4 n LYS 13 N -3.96 0.62 -0.78 0.00 4.76 -1.14 -4.30 118.16 113.36 2ds4 n LYS 13 Ca -0.02 0.21 -0.31 0.00 -2.87 0.00 0.00 58.31 55.32 2ds4 n LYS 13 Cb 0.14 -1.81 0.16 0.00 -1.84 0.00 0.00 35.03 31.68 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 s VAL 15 N -2.60 0.00 0.03 0.00 -7.23 -1.25 -4.02 120.40 105.34 2ds4 s VAL 15 Ca 0.67 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 2ds4 s VAL 15 Cb -0.23 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2ds4 s VAL 15 CO 0.57 0.00 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.38 2ds4 s LEU 16 N -3.21 2.15 -0.01 1.32 1.43 -1.26 -2.51 118.68 116.59 2ds4 s LEU 16 Ca 0.38 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2ds4 s LEU 16 Cb 0.05 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2ds4 s LEU 16 CO 0.16 0.19 -0.05 -1.10 0.23 0.00 0.00 176.35 175.78 2ds4 s GLN 17 N -1.07 2.62 0.00 1.70 -1.52 -0.43 -5.01 119.66 115.96 2ds4 s GLN 17 Ca 0.08 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.82 2ds4 s GLN 17 Cb -0.09 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 2ds4 s GLN 17 CO 0.01 0.61 0.00 0.41 -0.25 0.00 0.00 175.29 176.08 2ds4 n GLY 18 N 1.60 1.11 0.33 3.09 0.00 -1.26 -3.27 105.19 106.78 2ds4 n GLY 18 Ca -0.16 0.05 0.26 0.00 0.00 0.00 0.00 46.02 46.17 2ds4 n GLY 18 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ds4 h GLU 19 N 0.00 0.06 -2.74 1.61 4.57 -1.98 -1.86 114.58 114.23 2ds4 h GLU 19 Ca 0.00 -0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.48 2ds4 h GLU 19 Cb 0.00 -0.01 -0.36 0.00 -0.16 0.00 0.00 28.75 28.22 2ds4 h GLU 19 CO 0.00 0.04 -0.03 -0.40 -1.18 0.00 0.00 179.01 177.44 2ds4 n ASP 20 N -5.28 4.69 -0.04 1.04 5.75 -1.26 -4.79 116.55 116.66 2ds4 n ASP 20 Ca 0.33 -3.35 -0.19 0.00 -0.01 0.00 0.00 54.79 51.57 2ds4 n ASP 20 Cb 1.09 -0.96 -0.13 0.00 -1.03 0.00 0.00 41.12 40.08 2ds4 n ASP 20 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2ds4 n LEU 21 N 1.41 2.57 -1.25 -2.12 4.77 -0.70 -4.14 117.00 117.54 2ds4 n LEU 21 Ca 0.26 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.33 2ds4 n LEU 21 Cb 0.37 -0.94 0.13 0.00 -2.33 0.00 0.00 43.42 40.65 2ds4 n LEU 21 CO 0.49 0.85 0.64 1.41 -1.33 0.00 0.00 177.39 179.44 2ds4 n HIS 22 N -3.37 1.03 -3.64 -1.77 8.25 -1.26 -4.73 115.22 109.72 2ds4 n HIS 22 Ca -0.35 -0.61 -0.16 0.00 -0.26 0.00 0.00 57.72 56.34 2ds4 n HIS 22 Cb 1.03 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.62 2ds4 n HIS 22 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ds4 s ARG 23 N -1.58 0.09 0.22 -0.41 6.06 -1.26 -3.32 118.95 118.75 2ds4 s ARG 23 Ca 0.23 0.56 0.03 0.00 -2.50 0.00 0.00 55.73 54.05 2ds4 s ARG 23 Cb 0.18 -0.35 -0.05 0.00 0.06 0.00 0.00 34.95 34.79 2ds4 s ARG 23 CO 0.06 -0.35 0.00 0.00 -2.50 0.00 0.00 175.30 172.51 2ds4 s ALA 24 N 2.33 1.69 0.08 6.12 0.00 0.19 -4.92 121.76 127.25 2ds4 s ALA 24 Ca 0.03 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.35 2ds4 s ALA 24 Cb -0.13 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2ds4 s ALA 24 CO -0.07 -0.28 -0.24 0.50 0.00 0.00 0.00 175.76 175.67 2ds4 s ARG 25 N -3.88 1.42 0.45 0.00 3.52 -1.26 -1.06 118.95 118.13 2ds4 s ARG 25 Ca 0.28 -1.14 -0.22 0.00 -0.13 0.00 0.00 55.73 54.51 2ds4 s ARG 25 Cb 0.06 -1.69 -0.11 0.00 -1.56 0.00 0.00 34.95 31.65 2ds4 s ARG 25 CO 0.08 0.42 0.72 -1.91 -0.81 0.00 0.00 175.30 173.79 2ds4 n GLU 26 N 1.40 0.82 -3.84 5.12 4.07 0.28 -2.11 120.64 126.39 2ds4 n GLU 26 Ca -0.18 0.30 -0.26 0.00 -0.06 0.00 0.00 57.16 56.96 2ds4 n GLU 26 Cb 0.53 -1.74 -0.03 0.00 -0.06 0.00 0.00 31.44 30.14 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ds4 n LYS 27 N 0.26 -0.72 -4.27 5.31 4.76 0.37 -4.78 118.16 119.09 2ds4 n LYS 27 Ca 0.11 -0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 55.31 2ds4 n LYS 27 Cb 0.41 -1.86 -0.12 0.00 -1.84 0.00 0.00 35.03 31.63 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2ds4 s GLN 28 N -6.30 1.10 -0.53 1.97 -0.44 -0.90 -4.96 119.66 109.60 2ds4 s GLN 28 Ca 0.16 -1.24 -0.20 0.00 -2.50 0.00 0.00 55.36 51.58 2ds4 s GLN 28 Cb -0.09 -1.12 0.06 0.00 -1.64 0.00 0.00 33.01 30.22 2ds4 s GLN 28 CO 0.66 0.23 0.70 0.99 0.50 0.00 0.00 175.29 178.38 2ds4 s THR 29 N -1.82 4.76 -0.22 -0.34 2.01 -1.26 -3.96 115.64 114.81 2ds4 s THR 29 Ca 0.09 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2ds4 s THR 29 Cb -0.07 -4.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2ds4 s THR 29 CO 0.04 -0.94 -0.03 0.00 -0.69 0.00 0.00 174.62 173.00 2ds4 s ALA 30 N 2.92 2.84 0.12 7.40 0.00 -0.63 -4.96 121.76 129.45 2ds4 s ALA 30 Ca 0.17 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2ds4 s ALA 30 Cb -0.19 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2ds4 s ALA 30 CO 0.12 -0.43 -0.11 -1.54 0.00 0.00 0.00 175.76 173.81 2ds4 s SER 31 N 1.48 1.64 0.18 0.00 1.04 -1.26 -0.86 113.70 115.92 2ds4 s SER 31 Ca 0.06 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 2ds4 s SER 31 Cb -0.14 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 2ds4 s SER 31 CO -0.03 -0.28 0.25 0.72 0.98 0.00 0.00 173.24 174.89 2ds4 s PHE 32 N -2.75 0.64 -0.22 5.02 -0.71 -0.68 -4.97 117.98 114.31 2ds4 s PHE 32 Ca 0.10 -0.97 -0.07 0.00 -1.04 0.00 0.00 56.93 54.95 2ds4 s PHE 32 Cb -0.01 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 2ds4 s PHE 32 CO 0.00 -0.73 0.06 0.99 -1.34 0.00 0.00 175.22 174.21 2ds4 s THR 33 N -4.04 4.39 -0.25 -4.49 2.01 -1.20 -3.05 115.64 109.01 2ds4 s THR 33 Ca 0.24 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 2ds4 s THR 33 Cb 0.04 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2ds4 s THR 33 CO 0.05 0.38 0.31 -0.22 -0.69 0.00 0.00 174.62 174.45 2ds4 s LEU 34 N 1.21 4.07 0.26 4.42 2.96 -1.17 -1.31 118.68 129.11 2ds4 s LEU 34 Ca 0.04 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2ds4 s LEU 34 Cb -0.14 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 2ds4 s LEU 34 CO 0.03 -0.10 0.51 -0.76 -1.32 0.00 0.00 176.35 174.71 2ds4 s LEU 35 N 1.72 4.11 -0.19 -0.68 1.43 -1.04 -2.22 118.68 121.81 2ds4 s LEU 35 Ca 0.13 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2ds4 s LEU 35 Cb -0.15 -3.45 0.04 0.00 0.03 0.00 0.00 46.19 42.66 2ds4 s LEU 35 CO 0.09 -0.14 -0.10 0.00 0.23 0.00 0.00 176.35 176.43 2ds4 s LYS 37 N 1.44 2.08 0.84 0.00 3.01 -1.26 -3.80 119.74 122.05 2ds4 s LYS 37 Ca -0.00 -1.76 -0.06 0.00 -1.01 0.00 0.00 55.97 53.14 2ds4 s LYS 37 Cb -0.16 -1.93 0.18 0.00 -1.01 0.00 0.00 37.83 34.92 2ds4 s LYS 37 CO -0.08 0.12 1.15 -0.25 0.51 0.00 0.00 175.35 176.80 2ds4 n ASP 38 N -0.96 0.92 0.07 2.83 9.92 -0.22 -1.85 116.55 127.25 2ds4 n ASP 38 Ca -0.04 -1.92 0.05 0.00 -0.53 0.00 0.00 54.79 52.35 2ds4 n ASP 38 Cb 0.62 -0.80 0.27 0.00 -0.64 0.00 0.00 41.12 40.57 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ds4 n ALA 39 N -3.26 1.11 -0.38 2.24 0.00 -1.21 -0.39 120.51 118.62 2ds4 n ALA 39 Ca -0.19 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2ds4 n ALA 39 Cb 0.60 -1.16 0.32 0.00 0.00 0.00 0.00 19.45 19.21 2ds4 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ds4 n ALA 40 N -1.62 2.41 -1.89 0.00 0.00 -1.26 -4.93 120.51 113.22 2ds4 n ALA 40 Ca -0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 53.44 51.95 2ds4 n ALA 40 Cb 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 2ds4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ds4 n GLY 41 N 1.55 0.71 3.77 0.00 0.00 0.48 -4.99 105.19 106.72 2ds4 n GLY 41 Ca 0.24 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2ds4 n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 42 N -4.11 2.75 0.23 1.61 -1.05 -1.26 -4.83 118.70 112.04 2ds4 s GLU 42 Ca 0.00 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 2ds4 s GLU 42 Cb 0.00 -2.47 -0.09 0.00 -0.44 0.00 0.00 34.13 31.13 2ds4 s GLU 42 CO 0.00 0.40 1.22 0.42 0.95 0.00 0.00 175.26 178.25 2ds4 s ILE 43 N -2.11 3.33 -0.10 1.83 -1.09 -1.26 -1.06 121.20 120.73 2ds4 s ILE 43 Ca 0.32 1.19 0.05 0.00 -2.23 0.00 0.00 60.65 59.98 2ds4 s ILE 43 Cb -0.08 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2ds4 s ILE 43 CO 0.23 0.22 -0.03 1.15 -1.23 0.00 0.00 174.94 175.28 2ds4 n MET 44 N 1.96 1.45 -3.02 2.79 0.00 -1.25 -4.87 117.12 114.18 2ds4 n MET 44 Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 57.70 57.63 2ds4 n MET 44 Cb 0.44 -1.23 0.06 0.00 0.00 0.00 0.00 33.22 32.49 2ds4 n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ds4 n GLY 45 N 2.68 -0.55 3.26 3.17 0.00 -1.26 -5.04 105.19 107.44 2ds4 n GLY 45 Ca -0.18 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2ds4 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ds4 s ARG 46 N -4.52 1.39 -0.35 1.61 0.52 -1.26 -4.68 118.95 111.66 2ds4 s ARG 46 Ca 0.23 -1.76 0.15 0.00 -0.52 0.00 0.00 55.73 53.82 2ds4 s ARG 46 Cb -0.03 0.11 0.45 0.00 0.52 0.00 0.00 34.95 36.00 2ds4 s ARG 46 CO 0.60 -0.42 1.00 0.41 0.02 0.00 0.00 175.30 176.91 2ds4 n GLY 47 N -0.42 2.75 2.62 -3.53 0.00 -1.26 -2.22 105.19 103.13 2ds4 n GLY 47 Ca 0.02 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 2ds4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ds4 n GLY 48 N -0.19 5.89 3.25 -0.02 0.00 -1.26 -4.80 105.19 108.06 2ds4 n GLY 48 Ca 0.17 -2.76 -0.15 0.00 0.00 0.00 0.00 46.02 43.28 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ds4 s ASP 49 N -3.41 1.83 -0.47 1.61 1.01 -1.26 -4.98 116.67 111.00 2ds4 s ASP 49 Ca 0.48 -0.98 -0.10 0.00 0.71 0.00 0.00 52.55 52.66 2ds4 s ASP 49 Cb 0.37 -0.02 0.11 0.00 1.01 0.00 0.00 42.92 44.39 2ds4 s ASP 49 CO -0.18 -0.30 0.36 0.20 0.21 0.00 0.00 175.17 175.45 2ds4 s ASN 50 N -3.06 5.78 0.25 0.27 0.01 -1.26 -4.99 114.94 111.94 2ds4 s ASN 50 Ca 0.15 -1.83 -0.24 0.00 -0.71 0.00 0.00 52.86 50.23 2ds4 s ASN 50 Cb 0.01 -2.04 -0.09 0.00 0.41 0.00 0.00 41.25 39.54 2ds4 s ASN 50 CO 0.01 -0.70 0.84 -0.69 -1.51 0.00 0.00 177.10 175.05 2ds4 s VAL 51 N 1.41 4.35 -0.07 1.60 1.01 -1.26 -0.53 120.40 126.91 2ds4 s VAL 51 Ca 0.05 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2ds4 s VAL 51 Cb -0.26 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2ds4 s VAL 51 CO 0.00 0.28 -0.05 -1.10 0.00 0.00 0.00 175.10 174.24 2ds4 s GLN 52 N -1.74 1.00 -0.06 2.72 -0.21 -0.29 -4.96 119.66 116.12 2ds4 s GLN 52 Ca 0.44 -0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.73 2ds4 s GLN 52 Cb -0.20 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.74 2ds4 s GLN 52 CO 0.24 -0.16 -0.14 0.08 -2.12 0.00 0.00 175.29 173.19 2ds4 s VAL 53 N 1.31 1.23 -0.28 1.09 1.01 -1.24 -2.43 120.40 121.09 2ds4 s VAL 53 Ca -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2ds4 s VAL 53 Cb -0.14 -1.10 0.17 0.00 0.00 0.00 0.00 36.38 35.31 2ds4 s VAL 53 CO -0.02 0.37 0.50 0.00 0.00 0.00 0.00 175.10 175.95 2ds4 s ALA 54 N 0.51 -1.73 -0.19 5.51 0.00 -0.82 -4.95 121.76 120.09 2ds4 s ALA 54 Ca -0.12 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 2ds4 s ALA 54 Cb -0.15 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2ds4 s ALA 54 CO 0.04 -1.37 0.31 0.08 0.00 0.00 0.00 175.76 174.81 2ds4 s VAL 55 N 2.71 5.28 -0.08 0.00 1.01 -1.26 -0.26 120.40 127.80 2ds4 s VAL 55 Ca 0.16 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 2ds4 s VAL 55 Cb -0.15 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2ds4 s VAL 55 CO -0.20 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.51 2ds4 s VAL 56 N 0.86 0.67 0.25 2.92 1.01 -0.65 -3.65 120.40 121.80 2ds4 s VAL 56 Ca 0.16 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2ds4 s VAL 56 Cb -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 2ds4 s VAL 56 CO 0.05 0.30 1.27 -2.16 0.00 0.00 0.00 175.10 174.57 2ds4 s PRO 57 N 1.72 4.42 0.40 2.72 0.04 -1.26 -1.60 135.00 141.44 2ds4 s PRO 57 Ca 0.03 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.26 2ds4 s PRO 57 Cb -0.13 -3.16 0.84 0.00 0.04 0.00 0.00 34.50 32.09 2ds4 s PRO 57 CO -0.06 -0.16 1.88 -0.22 0.04 0.00 0.00 177.00 178.49 2ds4 h LYS 58 N 4.60 0.00 0.61 4.56 3.64 -1.87 -3.16 116.57 124.95 2ds4 h LYS 58 Ca -0.46 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2ds4 h LYS 58 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2ds4 h LYS 58 CO 0.72 0.31 -0.29 0.22 -2.27 0.00 0.00 179.45 178.14 2ds4 h ASP 59 N 0.00 -0.69 -2.22 4.20 3.58 -1.92 -3.45 116.42 115.92 2ds4 h ASP 59 Ca -0.00 -0.02 -0.45 0.00 0.42 0.00 0.00 57.03 56.98 2ds4 h ASP 59 Cb 0.57 0.18 0.02 0.00 1.72 0.00 0.00 39.33 41.81 2ds4 h ASP 59 CO 0.04 -0.39 -0.21 -0.54 -2.88 0.00 0.00 179.24 175.26 2ds4 s LYS 60 N -5.34 3.03 -0.12 0.28 -0.14 -1.19 -5.04 119.74 111.21 2ds4 s LYS 60 Ca -0.16 -0.79 0.04 0.00 -1.36 0.00 0.00 55.97 53.69 2ds4 s LYS 60 Cb 0.02 -2.68 -0.10 0.00 -1.68 0.00 0.00 37.83 33.39 2ds4 s LYS 60 CO 0.55 -0.16 -0.07 1.63 -0.76 0.00 0.00 175.35 176.55 2ds4 n LYS 61 N -1.89 1.01 -0.11 1.68 4.76 -1.26 -4.51 118.16 117.84 2ds4 n LYS 61 Ca 0.02 0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.33 2ds4 n LYS 61 Cb 0.58 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 2ds4 n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ds4 n ASP 62 N -2.72 1.91 -2.74 4.39 2.03 -1.26 -4.89 116.55 113.27 2ds4 n ASP 62 Ca -0.21 0.41 -0.20 0.00 0.52 0.00 0.00 54.79 55.31 2ds4 n ASP 62 Cb 0.78 -0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 40.24 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ds4 n SER 63 N -4.42 -0.30 -2.78 1.67 2.88 -1.26 -4.84 113.62 104.56 2ds4 n SER 63 Ca -0.29 -0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.08 2ds4 n SER 63 Cb 0.62 -0.45 0.07 0.00 -0.75 0.00 0.00 64.21 63.69 2ds4 n SER 63 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ds4 n PRO 64 N 4.36 -1.59 -3.95 -1.46 -0.04 -1.26 -4.48 135.00 126.57 2ds4 n PRO 64 Ca 0.41 -0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 2ds4 n PRO 64 Cb 0.05 -0.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.93 2ds4 n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ds4 s VAL 65 N -1.52 0.16 -0.09 0.52 1.01 -1.24 -4.92 120.40 114.33 2ds4 s VAL 65 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2ds4 s VAL 65 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2ds4 s VAL 65 CO 0.14 0.09 1.53 -0.13 0.00 0.00 0.00 175.10 176.74 2ds4 s ARG 66 N 0.47 4.20 0.27 2.72 1.81 -1.26 -4.75 118.95 122.41 2ds4 s ARG 66 Ca -0.04 2.03 0.04 0.00 -1.72 0.00 0.00 55.73 56.04 2ds4 s ARG 66 Cb -0.07 -3.92 -0.06 0.00 -0.45 0.00 0.00 34.95 30.45 2ds4 s ARG 66 CO -0.01 -0.80 0.01 0.95 -0.68 0.00 0.00 175.30 174.76 2ds4 s THR 67 N 3.87 1.23 0.10 0.02 -4.23 -1.26 -2.33 115.64 113.03 2ds4 s THR 67 Ca 0.68 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2ds4 s THR 67 Cb -0.30 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 2ds4 s THR 67 CO 0.25 -0.20 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.74 2ds4 s MET 68 N -3.84 0.84 -0.27 3.99 1.75 0.17 -4.96 119.30 116.98 2ds4 s MET 68 Ca 0.32 -1.33 -0.01 0.00 -1.25 0.00 0.00 55.69 53.42 2ds4 s MET 68 Cb 0.06 -0.23 0.15 0.00 2.84 0.00 0.00 34.83 37.65 2ds4 s MET 68 CO 0.12 -0.01 0.40 0.54 -0.65 0.00 0.00 175.02 175.42 2ds4 s VAL 69 N -3.55 -0.63 -0.83 10.11 0.11 -1.26 -3.29 120.40 121.05 2ds4 s VAL 69 Ca 0.12 -0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 2ds4 s VAL 69 Cb 0.05 -0.89 0.21 0.00 -1.53 0.00 0.00 36.38 34.22 2ds4 s VAL 69 CO -0.04 -0.18 0.73 -1.58 -3.33 0.00 0.00 175.10 170.69 2ds4 s GLN 70 N 2.56 3.31 -0.17 1.54 0.74 -0.95 -5.04 119.66 121.65 2ds4 s GLN 70 Ca 0.12 -2.84 -0.29 0.00 0.05 0.00 0.00 55.36 52.40 2ds4 s GLN 70 Cb -0.14 -4.11 -0.06 0.00 1.10 0.00 0.00 33.01 29.80 2ds4 s GLN 70 CO -0.22 -1.24 2.17 -3.47 -0.55 0.00 0.00 175.29 171.98 2ds4 n ASP 71 N 3.15 3.43 -0.07 6.67 -0.08 -1.26 -3.67 116.55 124.72 2ds4 n ASP 71 Ca 0.16 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.71 2ds4 n ASP 71 Cb 0.40 -1.54 -0.15 0.00 2.34 0.00 0.00 41.12 42.17 2ds4 n ASP 71 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ds4 n ASN 72 N 10.80 0.29 -3.42 1.67 3.02 -1.26 -4.99 115.26 121.36 2ds4 n ASN 72 Ca 0.28 0.14 -0.24 0.00 -0.03 0.00 0.00 54.58 54.73 2ds4 n ASN 72 Cb 0.43 0.69 0.05 0.00 -0.61 0.00 0.00 39.78 40.35 2ds4 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ds4 n LYS 73 N -2.82 -6.40 -1.08 3.52 4.01 -1.26 -4.89 118.16 109.24 2ds4 n LYS 73 Ca -0.26 0.82 -0.01 0.00 -0.51 0.00 0.00 58.31 58.34 2ds4 n LYS 73 Cb 1.09 -5.77 0.14 0.00 -0.51 0.00 0.00 35.03 29.99 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ds4 n ASP 74 N -2.79 2.38 0.00 4.39 8.00 -1.26 -4.19 116.55 123.08 2ds4 n ASP 74 Ca -0.03 -3.64 0.00 0.00 0.71 0.00 0.00 54.79 51.83 2ds4 n ASP 74 Cb 0.58 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ds4 n GLY 75 N -0.86 3.00 3.43 0.44 0.00 -0.94 -4.80 105.19 105.46 2ds4 n GLY 75 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2ds4 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ds4 s THR 76 N -2.77 0.57 0.21 2.61 -4.23 -1.26 -3.27 115.64 107.50 2ds4 s THR 76 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2ds4 s THR 76 Cb 0.00 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 2ds4 s THR 76 CO 0.00 0.00 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.70 2ds4 s TYR 77 N -3.38 1.60 -0.44 3.99 1.51 -0.94 -4.09 117.35 115.60 2ds4 s TYR 77 Ca 0.31 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2ds4 s TYR 77 Cb 0.04 -0.86 0.12 0.00 -0.11 0.00 0.00 41.96 41.15 2ds4 s TYR 77 CO 0.16 0.14 0.17 -0.47 -1.11 0.00 0.00 175.55 174.44 2ds4 s TYR 78 N -3.22 3.32 -0.09 2.71 5.04 -1.24 -3.06 117.35 120.82 2ds4 s TYR 78 Ca 0.24 -3.03 -0.05 0.00 -2.44 0.00 0.00 57.07 51.79 2ds4 s TYR 78 Cb 0.03 -2.79 -0.04 0.00 0.35 0.00 0.00 41.96 39.51 2ds4 s TYR 78 CO 0.07 -0.83 0.11 0.42 -1.34 0.00 0.00 175.55 173.98 2ds4 s ILE 79 N 0.27 5.19 -0.06 3.14 1.01 -1.17 -2.25 121.20 127.33 2ds4 s ILE 79 Ca 0.14 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2ds4 s ILE 79 Cb -0.23 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2ds4 s ILE 79 CO -0.04 0.57 0.24 -0.94 0.00 0.00 0.00 174.94 174.76 2ds4 s SER 80 N -1.15 -0.19 -0.02 3.58 1.04 -1.21 -1.68 113.70 114.07 2ds4 s SER 80 Ca 0.17 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.79 2ds4 s SER 80 Cb -0.12 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2ds4 s SER 80 CO 0.06 -0.21 0.20 -0.72 0.98 0.00 0.00 173.24 173.55 2ds4 s TYR 81 N -0.44 -0.08 -0.21 5.02 -0.85 -0.04 0.43 117.35 121.18 2ds4 s TYR 81 Ca -0.05 0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.64 2ds4 s TYR 81 Cb -0.04 0.02 0.06 0.00 0.38 0.00 0.00 41.96 42.38 2ds4 s TYR 81 CO 0.01 -0.27 -0.02 0.99 -1.52 0.00 0.00 175.55 174.75 2ds4 s THR 82 N -0.98 1.09 0.31 -3.49 2.01 -0.99 -1.61 115.64 111.99 2ds4 s THR 82 Ca -0.11 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 2ds4 s THR 82 Cb -0.05 -1.44 -0.10 0.00 0.01 0.00 0.00 72.50 70.91 2ds4 s THR 82 CO 0.02 -0.12 1.23 -2.16 -0.69 0.00 0.00 174.62 172.90 2ds4 s PRO 83 N 1.60 4.46 -0.05 4.92 0.04 -1.25 -4.30 135.00 140.41 2ds4 s PRO 83 Ca -0.03 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 2ds4 s PRO 83 Cb -0.18 -3.12 -0.30 0.00 0.04 0.00 0.00 34.50 30.95 2ds4 s PRO 83 CO -0.07 -0.03 0.64 0.87 0.04 0.00 0.00 177.00 178.45 2ds4 h LYS 84 N 3.55 0.35 -5.75 4.56 6.56 -1.95 0.11 116.57 124.01 2ds4 h LYS 84 Ca -0.48 -0.60 -0.48 0.00 -1.06 0.00 0.00 60.65 58.02 2ds4 h LYS 84 Cb 1.22 0.22 -0.20 0.00 -0.57 0.00 0.00 32.23 32.91 2ds4 h LYS 84 CO 0.66 1.27 -0.79 -1.21 -2.06 0.00 0.00 179.45 177.32 2ds4 s GLU 85 N -2.58 1.07 0.87 3.15 2.02 -1.26 -4.45 118.70 117.52 2ds4 s GLU 85 Ca -0.16 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 53.51 2ds4 s GLU 85 Cb 0.06 -1.13 0.11 0.00 0.10 0.00 0.00 34.13 33.27 2ds4 s GLU 85 CO 0.84 0.24 1.09 -1.25 0.02 0.00 0.00 175.26 176.20 2ds4 s PRO 86 N -2.30 1.48 0.00 0.39 0.04 -1.26 -4.90 135.00 128.45 2ds4 s PRO 86 Ca 0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2ds4 s PRO 86 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2ds4 s PRO 86 CO 0.04 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.38 2ds4 n GLY 87 N -1.14 0.70 3.79 0.56 0.00 0.21 -4.95 105.19 104.37 2ds4 n GLY 87 Ca 0.07 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2ds4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 s VAL 88 N -0.87 4.50 0.16 1.61 0.11 -1.26 -0.03 120.40 124.62 2ds4 s VAL 88 Ca 0.00 1.52 0.04 0.00 -2.93 0.00 0.00 61.98 60.60 2ds4 s VAL 88 Cb 0.00 -4.05 -0.05 0.00 -1.53 0.00 0.00 36.38 30.76 2ds4 s VAL 88 CO 0.00 0.53 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.91 2ds4 s TYR 89 N -1.15 1.25 -0.26 1.54 1.51 0.11 -2.73 117.35 117.62 2ds4 s TYR 89 Ca 0.34 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 2ds4 s TYR 89 Cb -0.22 -0.67 0.07 0.00 -0.11 0.00 0.00 41.96 41.04 2ds4 s TYR 89 CO 0.24 -0.00 -0.02 0.99 -1.11 0.00 0.00 175.55 175.64 2ds4 s THR 90 N -3.42 1.55 -0.15 -0.71 2.01 -0.63 -0.30 115.64 114.00 2ds4 s THR 90 Ca 0.19 -1.39 -0.24 0.00 0.31 0.00 0.00 61.69 60.55 2ds4 s THR 90 Cb 0.04 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2ds4 s THR 90 CO 0.01 -0.24 0.76 -0.69 -0.69 0.00 0.00 174.62 173.78 2ds4 s VAL 91 N 1.35 4.95 -0.46 3.82 1.01 -1.16 -1.64 120.40 128.28 2ds4 s VAL 91 Ca -0.02 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.30 2ds4 s VAL 91 Cb -0.19 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.16 2ds4 s VAL 91 CO -0.09 0.10 0.47 0.26 0.00 0.00 0.00 175.10 175.84 2ds4 s TRP 92 N 1.76 3.16 -0.27 5.22 0.52 0.64 -3.35 118.94 126.62 2ds4 s TRP 92 Ca 0.36 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.93 2ds4 s TRP 92 Cb -0.17 -3.11 0.06 0.00 -1.15 0.00 0.00 33.47 29.10 2ds4 s TRP 92 CO 0.14 -0.80 -0.09 0.08 0.02 0.00 0.00 176.95 176.29 2ds4 s VAL 93 N 2.11 2.30 0.02 4.03 1.01 -1.25 -1.95 120.40 126.66 2ds4 s VAL 93 Ca 0.10 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.47 2ds4 s VAL 93 Cb -0.20 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2ds4 s VAL 93 CO 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 175.10 175.11 2ds4 s ILE 95 N -0.79 3.12 -1.23 0.00 1.01 0.46 -1.13 121.20 122.64 2ds4 s ILE 95 Ca -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2ds4 s ILE 95 Cb -0.06 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.01 2ds4 s ILE 95 CO -0.00 0.45 1.06 0.29 0.00 0.00 0.00 174.94 176.74 2ds4 n LYS 96 N 4.75 -7.12 -3.32 2.79 5.02 0.31 -2.49 118.16 118.10 2ds4 n LYS 96 Ca -0.19 0.78 -0.18 0.00 -2.02 0.00 0.00 58.31 56.70 2ds4 n LYS 96 Cb 0.51 -5.65 0.07 0.00 -0.02 0.00 0.00 35.03 29.93 2ds4 n LYS 96 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ds4 n GLU 97 N -4.50 -6.14 -3.74 1.97 -0.58 -1.26 -5.02 120.64 101.37 2ds4 n GLU 97 Ca -0.06 0.67 -0.13 0.00 -0.42 0.00 0.00 57.16 57.22 2ds4 n GLU 97 Cb 0.58 -5.22 -0.13 0.00 -0.57 0.00 0.00 31.44 26.10 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2ds4 s GLN 98 N -5.80 0.20 -0.16 3.49 -0.21 -1.04 -5.12 119.66 111.01 2ds4 s GLN 98 Ca 0.35 0.46 -0.29 0.00 0.02 0.00 0.00 55.36 55.90 2ds4 s GLN 98 Cb -0.15 -0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 2ds4 s GLN 98 CO 0.59 -0.14 1.39 -1.01 -2.12 0.00 0.00 175.29 174.00 2ds4 s HIS 99 N 1.04 2.55 0.79 0.91 3.76 -1.26 -0.40 115.29 122.68 2ds4 s HIS 99 Ca -0.08 0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 55.46 2ds4 s HIS 99 Cb -0.09 -3.69 0.19 0.00 1.11 0.00 0.00 32.58 30.11 2ds4 s HIS 99 CO -0.07 -2.33 0.80 1.33 -0.85 0.00 0.00 174.74 173.63 2ds4 n VAL 100 N 5.58 0.00 -2.20 -0.90 0.24 -1.22 -4.44 118.33 115.39 2ds4 n VAL 100 Ca 0.15 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.62 2ds4 n VAL 100 Cb 0.45 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 31.48 2ds4 n VAL 100 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2ds4 s GLN 101 N -4.80 4.13 -1.45 7.34 0.74 -1.12 -3.05 119.66 121.46 2ds4 s GLN 101 Ca 0.50 2.01 -0.09 0.00 0.05 0.00 0.00 55.36 57.82 2ds4 s GLN 101 Cb -0.04 -2.82 0.05 0.00 1.10 0.00 0.00 33.01 31.31 2ds4 s GLN 101 CO 0.37 -0.31 0.75 0.41 -0.55 0.00 0.00 175.29 175.96 2ds4 n GLY 102 N 0.73 -0.51 3.18 2.59 0.00 -1.26 -4.85 105.19 105.07 2ds4 n GLY 102 Ca 0.03 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 103 N -2.95 -0.25 1.21 1.61 0.15 -1.17 -4.29 113.70 108.01 2ds4 s SER 103 Ca 0.48 0.41 -0.20 0.00 0.70 0.00 0.00 55.95 57.34 2ds4 s SER 103 Cb -0.23 0.49 0.29 0.00 -1.71 0.00 0.00 66.02 64.86 2ds4 s SER 103 CO 0.59 -0.19 1.11 -2.16 1.20 0.00 0.00 173.24 173.79 2ds4 s PRO 104 N -0.28 -1.33 0.28 5.44 0.04 -1.26 -4.49 135.00 133.40 2ds4 s PRO 104 Ca -0.04 -0.11 0.04 0.00 0.04 0.00 0.00 61.00 60.93 2ds4 s PRO 104 Cb -0.03 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 2ds4 s PRO 104 CO 0.01 -3.77 0.24 -0.59 0.04 0.00 0.00 177.00 172.93 2ds4 s PHE 105 N -3.01 1.49 0.00 0.56 -0.12 -1.21 -5.04 117.98 110.65 2ds4 s PHE 105 Ca 0.71 -1.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.08 2ds4 s PHE 105 Cb -0.09 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2ds4 s PHE 105 CO 0.56 -0.80 -0.01 0.99 -0.05 0.00 0.00 175.22 175.91 2ds4 s THR 106 N -3.70 4.10 -0.03 -4.49 2.01 -1.26 -2.98 115.64 109.30 2ds4 s THR 106 Ca 0.39 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2ds4 s THR 106 Cb 0.04 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 2ds4 s THR 106 CO 0.21 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 2ds4 s VAL 107 N -1.08 1.03 -0.34 3.82 1.01 0.59 -4.59 120.40 120.84 2ds4 s VAL 107 Ca 0.19 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2ds4 s VAL 107 Cb -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2ds4 s VAL 107 CO 0.10 0.31 0.17 -0.89 0.00 0.00 0.00 175.10 174.79 2ds4 s THR 108 N 0.03 4.58 -0.50 3.92 2.01 -1.21 0.05 115.64 124.52 2ds4 s THR 108 Ca -0.01 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 2ds4 s THR 108 Cb -0.09 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.06 2ds4 s THR 108 CO 0.01 -0.06 0.55 -0.69 -0.69 0.00 0.00 174.62 173.74 2ds4 s VAL 109 N 1.59 4.99 0.96 3.82 1.01 0.95 -0.64 120.40 133.07 2ds4 s VAL 109 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2ds4 s VAL 109 Cb -0.18 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.12 2ds4 s VAL 109 CO 0.06 -0.74 1.13 -0.13 0.00 0.00 0.00 175.10 175.42 2ds4 s ARG 110 N 2.30 0.76 0.11 2.72 0.52 -0.23 -0.61 118.95 124.51 2ds4 s ARG 110 Ca 0.11 0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.46 2ds4 s ARG 110 Cb -0.21 -1.80 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 2ds4 s ARG 110 CO 0.10 -2.46 0.51 1.03 0.02 0.00 0.00 175.30 174.50 2ds4 s ARG 111 N -5.24 3.97 -0.10 3.54 0.52 -1.26 -0.55 118.95 119.83 2ds4 s ARG 111 Ca 0.65 0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 56.10 2ds4 s ARG 111 Cb -0.15 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 2ds4 s ARG 111 CO 0.54 0.54 0.72 0.21 0.02 0.00 0.00 175.30 177.34 2ds4 s LYS 112 N -1.71 4.39 0.00 3.54 2.36 -1.26 -4.81 119.74 122.25 2ds4 s LYS 112 Ca 0.34 0.88 0.18 0.00 -2.55 0.00 0.00 55.97 54.81 2ds4 s LYS 112 Cb -0.16 -3.49 0.14 0.00 -1.05 0.00 0.00 37.83 33.28 2ds4 s LYS 112 CO 0.18 -0.04 1.06 1.58 1.55 0.00 0.00 175.35 179.68