#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 6.21 0.35 1.61 1.04 -1.26 -4.99 113.70 116.66 2ds4 s SER 2 Ca 0.00 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 55.89 2ds4 s SER 2 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2ds4 s SER 2 CO 0.00 -1.77 0.13 -0.94 0.98 0.00 0.00 173.24 171.64 2ds4 s SER 3 N 3.90 4.55 0.02 7.02 1.04 -1.26 -5.15 113.70 123.81 2ds4 s SER 3 Ca 0.36 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2ds4 s SER 3 Cb -0.07 -0.64 -0.02 0.00 0.10 0.00 0.00 66.02 65.38 2ds4 s SER 3 CO 0.11 -0.34 -0.03 -0.83 0.98 0.00 0.00 173.24 173.13 2ds4 s GLY 4 N -3.84 0.24 0.47 7.32 0.00 -1.26 -5.12 107.32 105.13 2ds4 s GLY 4 Ca 0.38 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.58 2ds4 s GLY 4 CO 0.22 -0.62 0.02 -1.35 0.00 0.00 0.00 173.10 171.37 2ds4 s SER 5 N -1.35 3.90 0.05 1.64 1.04 -1.26 -5.02 113.70 112.70 2ds4 s SER 5 Ca -0.14 -1.58 -0.20 0.00 0.48 0.00 0.00 55.95 54.50 2ds4 s SER 5 Cb -0.09 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.18 2ds4 s SER 5 CO -0.01 -0.75 1.41 -1.28 0.98 0.00 0.00 173.24 173.59 2ds4 h SER 6 N 1.52 0.34 0.00 7.02 0.87 -1.97 -3.47 113.55 117.85 2ds4 h SER 6 Ca -0.43 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2ds4 h SER 6 Cb 1.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2ds4 h SER 6 CO 0.74 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.32 2ds4 n GLY 7 N -0.03 -0.82 2.38 5.77 0.00 -1.26 -5.07 105.19 106.16 2ds4 n GLY 7 Ca -0.05 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ds4 n GLU 8 N -0.56 0.44 -2.35 1.61 0.28 -1.26 -4.99 120.64 113.80 2ds4 n GLU 8 Ca 0.00 -2.13 -0.38 0.00 -0.16 0.00 0.00 57.16 54.49 2ds4 n GLU 8 Cb 0.00 1.95 -0.02 0.00 1.43 0.00 0.00 31.44 34.79 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ds4 s VAL 9 N -2.79 3.29 -0.01 3.84 0.11 -1.26 -0.78 120.40 122.80 2ds4 s VAL 9 Ca 0.23 1.06 0.01 0.00 -2.93 0.00 0.00 61.98 60.36 2ds4 s VAL 9 Cb -0.00 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2ds4 s VAL 9 CO 0.17 0.08 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.36 2ds4 s ASP 10 N -1.22 0.47 0.04 3.54 2.15 -0.97 -4.74 116.67 115.94 2ds4 s ASP 10 Ca 0.57 -0.07 -0.20 0.00 0.43 0.00 0.00 52.55 53.28 2ds4 s ASP 10 Cb -0.29 -0.09 -0.14 0.00 -0.30 0.00 0.00 42.92 42.10 2ds4 s ASP 10 CO 0.36 0.03 1.35 1.55 -0.17 0.00 0.00 175.17 178.29 2ds4 h PRO 11 N 6.23 0.35 -0.35 4.34 0.13 -1.87 -2.25 132.00 138.58 2ds4 h PRO 11 Ca -0.29 -0.18 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 2ds4 h PRO 11 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ds4 h PRO 11 CO 0.50 0.73 0.36 0.00 -0.23 0.00 0.00 178.00 179.36 2ds4 h ALA 12 N 0.61 2.06 0.04 -0.56 0.00 -1.89 0.47 119.26 119.99 2ds4 h ALA 12 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 2ds4 h ALA 12 Cb 0.67 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ds4 h ALA 12 CO 0.03 -0.54 -1.68 0.87 0.00 0.00 0.00 179.25 177.93 2ds4 h LYS 13 N 0.00 0.07 -6.75 0.00 1.79 -1.84 -3.35 116.57 106.49 2ds4 h LYS 13 Ca 0.17 -0.13 -0.54 0.00 -2.18 0.00 0.00 60.65 57.97 2ds4 h LYS 13 Cb 0.89 0.05 0.20 0.00 -1.58 0.00 0.00 32.23 31.79 2ds4 h LYS 13 CO -0.00 0.73 -0.48 0.00 -1.08 0.00 0.00 179.45 178.62 2ds4 s VAL 15 N -2.21 0.35 -0.03 0.00 -7.23 -1.25 -3.93 120.40 106.11 2ds4 s VAL 15 Ca 0.60 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2ds4 s VAL 15 Cb -0.26 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2ds4 s VAL 15 CO 0.64 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.57 2ds4 s LEU 16 N -3.47 1.75 0.30 1.32 1.43 -1.26 -3.38 118.68 115.37 2ds4 s LEU 16 Ca 0.32 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2ds4 s LEU 16 Cb 0.03 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 2ds4 s LEU 16 CO 0.19 0.06 0.24 -1.10 0.23 0.00 0.00 176.35 175.97 2ds4 s GLN 17 N 0.28 2.80 0.00 1.70 -1.52 0.12 -5.02 119.66 118.01 2ds4 s GLN 17 Ca -0.05 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 2ds4 s GLN 17 Cb -0.10 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 2ds4 s GLN 17 CO 0.01 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.69 2ds4 n GLY 18 N -1.27 3.85 0.09 3.09 0.00 -1.26 -3.70 105.19 105.99 2ds4 n GLY 18 Ca -0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2ds4 n GLY 18 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ds4 h GLU 19 N 0.00 0.16 -2.98 1.61 3.07 -1.97 -3.34 114.58 111.13 2ds4 h GLU 19 Ca 0.00 -0.08 -0.79 0.00 -0.50 0.00 0.00 59.36 57.99 2ds4 h GLU 19 Cb 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.62 2ds4 h GLU 19 CO 0.00 0.58 0.63 -0.40 -1.40 0.00 0.00 179.01 178.42 2ds4 n ASP 20 N -4.73 6.09 -0.06 1.42 5.75 -1.26 -4.73 116.55 119.03 2ds4 n ASP 20 Ca -0.07 -3.36 -0.22 0.00 -0.01 0.00 0.00 54.79 51.13 2ds4 n ASP 20 Cb 0.29 -1.24 -0.12 0.00 -1.03 0.00 0.00 41.12 39.01 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 1.51 2.32 -1.39 -2.12 4.77 -1.26 -4.17 117.00 116.65 2ds4 n LEU 21 Ca 0.26 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 2ds4 n LEU 21 Cb 0.35 -1.01 0.19 0.00 -2.33 0.00 0.00 43.42 40.61 2ds4 n LEU 21 CO 0.66 0.62 0.70 1.41 -1.33 0.00 0.00 177.39 179.45 2ds4 n HIS 22 N -3.89 1.32 -3.67 -1.77 8.25 -1.26 -4.77 115.22 109.42 2ds4 n HIS 22 Ca -0.36 -0.66 -0.11 0.00 -0.26 0.00 0.00 57.72 56.33 2ds4 n HIS 22 Cb 0.89 -0.42 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.92 0.25 0.12 -0.41 3.00 -1.26 -3.50 118.95 115.23 2ds4 s ARG 23 Ca 0.30 0.83 0.00 0.00 -1.00 0.00 0.00 55.73 55.87 2ds4 s ARG 23 Cb 0.24 0.09 -0.04 0.00 0.00 0.00 0.00 34.95 35.24 2ds4 s ARG 23 CO 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 175.30 175.14 2ds4 s ALA 24 N 2.24 0.96 0.13 6.12 0.00 0.11 -4.82 121.76 126.49 2ds4 s ALA 24 Ca -0.02 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 50.60 2ds4 s ALA 24 Cb -0.11 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2ds4 s ALA 24 CO -0.11 -0.37 -0.19 1.03 0.00 0.00 0.00 175.76 176.12 2ds4 s ARG 25 N -3.94 1.72 0.33 0.00 0.52 -1.26 -0.11 118.95 116.21 2ds4 s ARG 25 Ca 0.18 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 2ds4 s ARG 25 Cb 0.07 -2.06 -0.11 0.00 0.52 0.00 0.00 34.95 33.38 2ds4 s ARG 25 CO -0.01 0.46 1.44 -2.00 0.02 0.00 0.00 175.30 175.21 2ds4 s GLU 26 N -2.25 4.21 -1.46 3.54 2.12 0.18 -2.45 118.70 122.58 2ds4 s GLU 26 Ca 0.18 2.43 -0.10 0.00 0.36 0.00 0.00 54.97 57.84 2ds4 s GLU 26 Cb -0.10 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.31 2ds4 s GLU 26 CO 0.10 -0.42 0.91 1.63 -0.54 0.00 0.00 175.26 176.94 2ds4 n LYS 27 N 1.05 -5.90 -4.59 4.30 5.02 0.85 -4.34 118.16 114.55 2ds4 n LYS 27 Ca 0.02 0.72 -0.24 0.00 -2.02 0.00 0.00 58.31 56.79 2ds4 n LYS 27 Cb 0.40 -5.64 -0.14 0.00 -0.02 0.00 0.00 35.03 29.63 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ds4 s GLN 28 N -6.27 1.29 -0.51 1.97 2.00 -1.03 -5.00 119.66 112.11 2ds4 s GLN 28 Ca 0.54 -0.88 -0.20 0.00 -2.00 0.00 0.00 55.36 52.83 2ds4 s GLN 28 Cb -0.26 -1.37 0.06 0.00 0.80 0.00 0.00 33.01 32.24 2ds4 s GLN 28 CO 0.66 0.35 0.66 0.99 -0.50 0.00 0.00 175.29 177.45 2ds4 s THR 29 N -0.78 4.83 -0.23 -0.34 2.01 -1.26 -4.03 115.64 115.83 2ds4 s THR 29 Ca 0.06 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2ds4 s THR 29 Cb -0.08 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2ds4 s THR 29 CO 0.01 -0.84 0.04 0.00 -0.69 0.00 0.00 174.62 173.15 2ds4 s ALA 30 N 2.75 3.09 0.20 7.40 0.00 -0.74 -4.95 121.76 129.53 2ds4 s ALA 30 Ca 0.17 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 51.14 2ds4 s ALA 30 Cb -0.19 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2ds4 s ALA 30 CO 0.13 -0.38 -0.19 -1.54 0.00 0.00 0.00 175.76 173.78 2ds4 s SER 31 N 1.41 3.04 0.17 0.00 1.04 -1.26 -1.24 113.70 116.85 2ds4 s SER 31 Ca 0.05 -0.92 -0.09 0.00 0.48 0.00 0.00 55.95 55.47 2ds4 s SER 31 Cb -0.15 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2ds4 s SER 31 CO 0.02 -0.00 0.28 0.72 0.98 0.00 0.00 173.24 175.24 2ds4 s PHE 32 N -2.20 0.44 -0.12 5.02 -0.71 -0.14 -4.97 117.98 115.31 2ds4 s PHE 32 Ca 0.21 -0.80 -0.04 0.00 -1.04 0.00 0.00 56.93 55.26 2ds4 s PHE 32 Cb -0.05 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 2ds4 s PHE 32 CO 0.09 -0.73 0.03 0.99 -1.34 0.00 0.00 175.22 174.26 2ds4 s THR 33 N -3.98 4.52 -0.28 -4.49 2.01 -1.24 -2.97 115.64 109.21 2ds4 s THR 33 Ca 0.19 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2ds4 s THR 33 Cb 0.03 -2.95 0.05 0.00 0.01 0.00 0.00 72.50 69.64 2ds4 s THR 33 CO 0.01 0.56 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 2ds4 s LEU 34 N -0.46 3.63 0.56 4.42 2.96 -1.19 -0.71 118.68 127.88 2ds4 s LEU 34 Ca 0.09 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 52.64 2ds4 s LEU 34 Cb -0.12 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 2ds4 s LEU 34 CO 0.02 -0.22 0.95 -0.76 -1.32 0.00 0.00 176.35 175.03 2ds4 s LEU 35 N 1.22 3.43 -0.13 -0.68 1.43 -1.22 -1.96 118.68 120.77 2ds4 s LEU 35 Ca -0.06 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2ds4 s LEU 35 Cb -0.19 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.72 2ds4 s LEU 35 CO -0.03 -0.72 -0.12 0.00 0.23 0.00 0.00 176.35 175.71 2ds4 s LYS 37 N 1.45 1.87 0.79 0.00 3.01 -1.26 -4.05 119.74 121.55 2ds4 s LYS 37 Ca 0.03 -1.99 -0.06 0.00 -1.01 0.00 0.00 55.97 52.93 2ds4 s LYS 37 Cb -0.13 -1.69 0.14 0.00 -1.01 0.00 0.00 37.83 35.14 2ds4 s LYS 37 CO -0.08 0.07 1.09 0.16 0.51 0.00 0.00 175.35 177.10 2ds4 s ASP 38 N -3.65 4.06 0.60 2.83 -4.77 -0.26 -2.30 116.67 113.19 2ds4 s ASP 38 Ca 0.33 -0.04 0.29 0.00 -3.30 0.00 0.00 52.55 49.84 2ds4 s ASP 38 Cb 0.05 -0.30 1.57 0.00 -1.09 0.00 0.00 42.92 43.15 2ds4 s ASP 38 CO 0.17 -2.07 1.98 0.00 0.70 0.00 0.00 175.17 175.95 2ds4 h ALA 39 N -0.86 1.95 0.00 2.11 0.00 -1.25 0.53 119.26 121.74 2ds4 h ALA 39 Ca -0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ds4 h ALA 39 Cb 1.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ds4 h ALA 39 CO 0.43 -0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.16 2ds4 h ALA 40 N 1.57 1.00 0.00 0.00 0.00 -1.92 -3.48 119.26 116.44 2ds4 h ALA 40 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ds4 h ALA 40 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ds4 h ALA 40 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2ds4 n GLY 41 N 1.10 1.05 3.45 0.00 0.00 0.19 -5.09 105.19 105.88 2ds4 n GLY 41 Ca 0.04 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.18 1.61 0.31 1.61 -1.05 -1.26 -4.81 118.70 113.92 2ds4 s GLU 42 Ca 0.00 -1.68 -0.29 0.00 -0.15 0.00 0.00 54.97 52.84 2ds4 s GLU 42 Cb 0.00 -1.75 -0.12 0.00 -0.44 0.00 0.00 34.13 31.82 2ds4 s GLU 42 CO 0.00 0.34 1.48 -0.89 0.95 0.00 0.00 175.26 177.14 2ds4 n ILE 43 N -0.33 1.38 -0.11 1.83 2.08 -1.26 -1.10 119.36 121.85 2ds4 n ILE 43 Ca -0.08 -0.35 -0.14 0.00 0.56 0.00 0.00 62.75 62.75 2ds4 n ILE 43 Cb 0.59 -1.79 -0.13 0.00 -0.75 0.00 0.00 39.64 37.56 2ds4 n ILE 43 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 2ds4 n MET 44 N 1.49 0.74 -1.28 0.38 0.00 -1.26 -4.83 117.12 112.36 2ds4 n MET 44 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2ds4 n MET 44 Cb 0.36 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 2.14 1.02 3.59 3.17 0.00 -1.26 -4.83 105.19 109.02 2ds4 n GLY 45 Ca -0.38 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2ds4 n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ds4 s ARG 46 N -2.82 0.42 0.00 1.61 3.03 -1.26 -4.85 118.95 115.08 2ds4 s ARG 46 Ca 0.00 -0.17 0.00 0.00 2.03 0.00 0.00 55.73 57.59 2ds4 s ARG 46 Cb 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 34.95 34.11 2ds4 s ARG 46 CO 0.00 -0.19 0.00 0.41 -1.13 0.00 0.00 175.30 174.39 2ds4 n GLY 47 N -0.17 0.40 3.94 3.88 0.00 -1.18 -4.39 105.19 107.68 2ds4 n GLY 47 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 4.46 -0.38 3.47 -0.02 0.00 -1.26 -4.97 105.19 106.50 2ds4 n GLY 48 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.78 2.51 -0.42 1.61 1.01 -1.26 -5.12 116.67 111.22 2ds4 s ASP 49 Ca 0.38 -1.44 -0.02 0.00 0.71 0.00 0.00 52.55 52.19 2ds4 s ASP 49 Cb -0.20 0.03 0.11 0.00 1.01 0.00 0.00 42.92 43.88 2ds4 s ASP 49 CO 0.86 -0.67 0.21 0.20 0.21 0.00 0.00 175.17 175.98 2ds4 s ASN 50 N -3.52 5.18 0.11 0.27 0.01 -1.26 -5.05 114.94 110.68 2ds4 s ASN 50 Ca 0.33 -2.13 -0.26 0.00 -0.71 0.00 0.00 52.86 50.10 2ds4 s ASN 50 Cb 0.08 -1.80 -0.07 0.00 0.41 0.00 0.00 41.25 39.86 2ds4 s ASN 50 CO 0.15 -0.51 0.80 -0.69 -1.51 0.00 0.00 177.10 175.34 2ds4 s VAL 51 N 1.00 4.52 -0.17 1.60 1.01 -1.26 -2.53 120.40 124.56 2ds4 s VAL 51 Ca 0.09 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2ds4 s VAL 51 Cb -0.22 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2ds4 s VAL 51 CO -0.05 0.44 -0.17 -1.10 0.00 0.00 0.00 175.10 174.23 2ds4 s GLN 52 N -0.59 3.11 -0.05 2.72 -1.52 -0.09 -5.01 119.66 118.24 2ds4 s GLN 52 Ca 0.38 -0.78 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2ds4 s GLN 52 Cb -0.22 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 2ds4 s GLN 52 CO 0.25 -0.12 -0.13 0.08 -0.25 0.00 0.00 175.29 175.12 2ds4 s VAL 53 N 1.13 1.14 -0.28 1.09 1.01 -1.24 -2.36 120.40 120.88 2ds4 s VAL 53 Ca 0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2ds4 s VAL 53 Cb -0.14 -1.01 0.17 0.00 0.00 0.00 0.00 36.38 35.40 2ds4 s VAL 53 CO -0.06 0.34 0.53 0.00 0.00 0.00 0.00 175.10 175.91 2ds4 s ALA 54 N 0.31 -1.89 -0.29 5.51 0.00 -1.12 -4.98 121.76 119.29 2ds4 s ALA 54 Ca -0.07 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 2ds4 s ALA 54 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2ds4 s ALA 54 CO 0.02 -1.36 0.56 0.08 0.00 0.00 0.00 175.76 175.06 2ds4 s VAL 55 N 2.76 5.02 -0.05 0.00 1.01 -1.26 -2.17 120.40 125.70 2ds4 s VAL 55 Ca 0.18 0.81 0.03 0.00 0.00 0.00 0.00 61.98 63.00 2ds4 s VAL 55 Cb -0.15 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2ds4 s VAL 55 CO -0.20 -0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.04 2ds4 s VAL 56 N 2.42 1.26 0.34 2.92 1.01 -1.06 -3.23 120.40 124.06 2ds4 s VAL 56 Ca 0.22 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2ds4 s VAL 56 Cb -0.15 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2ds4 s VAL 56 CO 0.10 0.38 1.22 -2.16 0.00 0.00 0.00 175.10 174.64 2ds4 s PRO 57 N 0.36 4.35 0.57 2.72 0.04 -1.25 0.19 135.00 141.98 2ds4 s PRO 57 Ca -0.10 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.23 2ds4 s PRO 57 Cb -0.13 -3.00 1.70 0.00 0.04 0.00 0.00 34.50 33.10 2ds4 s PRO 57 CO 0.03 -0.12 2.21 -0.22 0.04 0.00 0.00 177.00 178.95 2ds4 h LYS 58 N 3.30 0.00 0.06 4.56 1.63 -1.67 -3.15 116.57 121.30 2ds4 h LYS 58 Ca -0.48 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2ds4 h LYS 58 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2ds4 h LYS 58 CO 0.65 0.02 -0.03 0.38 -3.45 0.00 0.00 179.45 177.02 2ds4 h ASP 59 N 0.00 -0.07 -3.09 4.20 2.03 -1.91 -3.45 116.42 114.13 2ds4 h ASP 59 Ca -0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.66 2ds4 h ASP 59 Cb 0.06 0.02 -0.09 0.00 -0.83 0.00 0.00 39.33 38.49 2ds4 h ASP 59 CO 0.00 -0.03 -0.57 -0.54 -1.03 0.00 0.00 179.24 177.07 2ds4 s LYS 60 N -2.47 3.08 0.00 4.15 1.02 -1.19 -5.00 119.74 119.32 2ds4 s LYS 60 Ca -0.01 -0.52 0.23 0.00 0.02 0.00 0.00 55.97 55.69 2ds4 s LYS 60 Cb 0.00 -2.86 0.07 0.00 -0.52 0.00 0.00 37.83 34.52 2ds4 s LYS 60 CO 0.04 0.63 1.12 0.36 -0.92 0.00 0.00 175.35 176.57 2ds4 n LYS 61 N 0.93 0.57 -0.06 1.68 0.00 -1.26 -3.89 118.16 116.14 2ds4 n LYS 61 Ca -0.11 -0.45 -0.05 0.00 -0.00 0.00 0.00 58.31 57.69 2ds4 n LYS 61 Cb 0.52 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 2ds4 n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ds4 n ASP 62 N -0.82 1.20 -3.30 -5.58 9.92 -1.26 -4.90 116.55 111.80 2ds4 n ASP 62 Ca 0.07 0.21 -0.26 0.00 -0.53 0.00 0.00 54.79 54.28 2ds4 n ASP 62 Cb 0.39 -0.65 -0.13 0.00 -0.64 0.00 0.00 41.12 40.09 2ds4 n ASP 62 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2ds4 n SER 63 N -3.71 -0.12 -4.69 -2.24 3.41 -1.26 -4.84 113.62 100.17 2ds4 n SER 63 Ca -0.09 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 2ds4 n SER 63 Cb 0.32 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.83 2ds4 n SER 63 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ds4 s PRO 64 N 6.23 0.80 -0.11 4.33 0.04 -1.26 -4.47 135.00 140.55 2ds4 s PRO 64 Ca 0.99 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2ds4 s PRO 64 Cb -0.85 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 31.95 2ds4 s PRO 64 CO 0.37 -2.52 -0.06 0.08 0.04 0.00 0.00 177.00 174.92 2ds4 s VAL 65 N -2.95 0.91 0.13 -0.36 1.01 -1.20 -5.01 120.40 112.94 2ds4 s VAL 65 Ca 0.64 -0.24 -0.35 0.00 0.00 0.00 0.00 61.98 62.04 2ds4 s VAL 65 Cb -0.18 -0.97 -0.16 0.00 0.00 0.00 0.00 36.38 35.07 2ds4 s VAL 65 CO 0.57 0.33 1.25 0.54 0.00 0.00 0.00 175.10 177.80 2ds4 n ARG 66 N 4.98 1.15 -4.20 2.72 5.12 -1.26 -4.58 116.66 120.59 2ds4 n ARG 66 Ca -0.11 0.41 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 2ds4 n ARG 66 Cb 0.50 -1.98 -0.10 0.00 -1.16 0.00 0.00 32.46 29.71 2ds4 n ARG 66 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ds4 s THR 67 N 0.15 0.02 -0.02 0.55 -4.23 -1.26 -3.06 115.64 107.79 2ds4 s THR 67 Ca 0.79 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2ds4 s THR 67 Cb -0.90 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2ds4 s THR 67 CO 0.49 -0.03 0.01 -0.32 -0.54 0.00 0.00 174.62 174.24 2ds4 s MET 68 N -4.15 0.11 -0.40 3.99 1.75 0.85 -4.98 119.30 116.47 2ds4 s MET 68 Ca 0.38 0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.93 2ds4 s MET 68 Cb 0.07 -0.29 0.13 0.00 2.84 0.00 0.00 34.83 37.58 2ds4 s MET 68 CO 0.11 -0.11 0.22 0.08 -0.65 0.00 0.00 175.02 174.67 2ds4 s VAL 69 N 0.81 0.98 -0.89 10.11 1.01 -1.26 -1.56 120.40 129.60 2ds4 s VAL 69 Ca -0.07 -2.22 -0.23 0.00 0.00 0.00 0.00 61.98 59.46 2ds4 s VAL 69 Cb -0.10 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.65 2ds4 s VAL 69 CO -0.02 -0.91 1.26 -1.58 0.00 0.00 0.00 175.10 173.85 2ds4 s GLN 70 N 0.65 3.45 0.16 2.72 2.00 -0.43 -4.98 119.66 123.22 2ds4 s GLN 70 Ca 0.17 -1.08 -0.32 0.00 -2.00 0.00 0.00 55.36 52.13 2ds4 s GLN 70 Cb -0.24 -4.86 -0.11 0.00 0.80 0.00 0.00 33.01 28.60 2ds4 s GLN 70 CO -0.01 -2.03 1.79 -0.40 -0.50 0.00 0.00 175.29 174.14 2ds4 n ASP 71 N 8.19 4.00 -0.00 6.67 5.68 -1.26 -3.42 116.55 136.41 2ds4 n ASP 71 Ca 0.20 1.02 -0.00 0.00 -0.50 0.00 0.00 54.79 55.50 2ds4 n ASP 71 Cb 0.49 -1.55 -0.00 0.00 -1.14 0.00 0.00 41.12 38.92 2ds4 n ASP 71 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ds4 n ASN 72 N 4.93 4.17 -2.27 -1.12 3.02 -1.26 -5.02 115.26 117.71 2ds4 n ASN 72 Ca 0.17 -0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.55 2ds4 n ASN 72 Cb 0.36 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.41 -1.83 -1.73 3.52 4.01 -1.25 -4.85 118.16 113.61 2ds4 n LYS 73 Ca -0.00 0.86 -0.26 0.00 -0.51 0.00 0.00 58.31 58.40 2ds4 n LYS 73 Cb 0.50 -5.45 0.05 0.00 -0.51 0.00 0.00 35.03 29.62 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ds4 n ASP 74 N -1.77 5.57 0.00 4.39 2.03 -1.26 -3.10 116.55 122.40 2ds4 n ASP 74 Ca -0.20 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.34 2ds4 n ASP 74 Cb 0.64 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ds4 n GLY 75 N -0.80 2.98 3.40 0.27 0.00 -1.26 -4.89 105.19 104.89 2ds4 n GLY 75 Ca 0.49 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.14 0.39 0.21 2.61 -4.23 -1.26 -2.44 115.64 108.77 2ds4 s THR 76 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2ds4 s THR 76 Cb 0.00 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 2ds4 s THR 76 CO 0.00 0.00 0.04 -0.31 -0.54 0.00 0.00 174.62 173.81 2ds4 s TYR 77 N -3.41 1.34 -0.26 3.99 1.51 -0.83 -3.87 117.35 115.82 2ds4 s TYR 77 Ca 0.32 -1.08 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 2ds4 s TYR 77 Cb 0.03 -0.77 0.06 0.00 -0.11 0.00 0.00 41.96 41.18 2ds4 s TYR 77 CO 0.18 -0.26 -0.10 -0.47 -1.11 0.00 0.00 175.55 173.79 2ds4 s TYR 78 N -3.69 3.29 -0.10 2.71 5.04 -1.22 -3.20 117.35 120.18 2ds4 s TYR 78 Ca 0.29 -2.35 0.03 0.00 -2.44 0.00 0.00 57.07 52.61 2ds4 s TYR 78 Cb 0.07 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.41 2ds4 s TYR 78 CO 0.08 -0.88 -0.21 0.42 -1.34 0.00 0.00 175.55 173.61 2ds4 s ILE 79 N 1.09 1.87 0.02 3.14 1.01 -1.16 -1.31 121.20 125.87 2ds4 s ILE 79 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2ds4 s ILE 79 Cb -0.20 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2ds4 s ILE 79 CO -0.05 0.52 0.01 -0.94 0.00 0.00 0.00 174.94 174.47 2ds4 s SER 80 N 0.47 0.23 -0.01 3.58 1.04 -0.60 -0.96 113.70 117.45 2ds4 s SER 80 Ca -0.17 -0.52 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 2ds4 s SER 80 Cb -0.17 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2ds4 s SER 80 CO 0.07 -0.37 0.14 -0.72 0.98 0.00 0.00 173.24 173.34 2ds4 s TYR 81 N -1.87 0.01 -0.31 5.02 1.13 -0.38 -0.10 117.35 120.85 2ds4 s TYR 81 Ca -0.12 -0.06 -0.00 0.00 -1.41 0.00 0.00 57.07 55.48 2ds4 s TYR 81 Cb -0.07 -0.03 0.10 0.00 -1.10 0.00 0.00 41.96 40.86 2ds4 s TYR 81 CO -0.02 -0.26 0.09 0.99 -2.51 0.00 0.00 175.55 173.84 2ds4 s THR 82 N -1.18 1.07 0.10 -3.49 2.01 -1.17 -1.79 115.64 111.19 2ds4 s THR 82 Ca -0.13 -1.53 -0.31 0.00 0.31 0.00 0.00 61.69 60.04 2ds4 s THR 82 Cb -0.07 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.56 2ds4 s THR 82 CO 0.01 -0.66 1.37 -2.16 -0.69 0.00 0.00 174.62 172.49 2ds4 s PRO 83 N 1.52 4.33 -0.01 4.92 0.04 -1.26 -4.54 135.00 140.00 2ds4 s PRO 83 Ca 0.10 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.01 2ds4 s PRO 83 Cb -0.17 -3.28 -0.34 0.00 0.04 0.00 0.00 34.50 30.75 2ds4 s PRO 83 CO -0.23 -0.43 0.90 0.87 0.04 0.00 0.00 177.00 178.16 2ds4 h LYS 84 N 6.88 0.46 -6.71 4.56 1.57 -1.96 0.24 116.57 121.61 2ds4 h LYS 84 Ca -0.42 -0.78 -0.67 0.00 -1.87 0.00 0.00 60.65 56.91 2ds4 h LYS 84 Cb 1.21 0.29 -0.20 0.00 0.08 0.00 0.00 32.23 33.61 2ds4 h LYS 84 CO 0.86 1.37 -0.83 -1.21 -0.57 0.00 0.00 179.45 179.07 2ds4 s GLU 85 N -2.55 1.52 0.88 3.15 2.02 -1.26 -4.44 118.70 118.01 2ds4 s GLU 85 Ca -0.12 -1.43 -0.11 0.00 0.02 0.00 0.00 54.97 53.33 2ds4 s GLU 85 Cb 0.04 -1.89 0.12 0.00 0.10 0.00 0.00 34.13 32.49 2ds4 s GLU 85 CO 0.90 0.42 1.09 -1.25 0.02 0.00 0.00 175.26 176.45 2ds4 s PRO 86 N -2.44 1.43 0.00 0.39 0.04 -1.26 -4.92 135.00 128.23 2ds4 s PRO 86 Ca 0.18 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2ds4 s PRO 86 Cb -0.09 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2ds4 s PRO 86 CO 0.09 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.40 2ds4 n GLY 87 N -1.15 0.91 3.84 0.56 0.00 -0.17 -4.96 105.19 104.23 2ds4 n GLY 87 Ca 0.07 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.99 5.00 0.33 1.61 0.11 -1.26 0.35 120.40 125.56 2ds4 s VAL 88 Ca 0.00 0.85 0.04 0.00 -2.93 0.00 0.00 61.98 59.94 2ds4 s VAL 88 Cb 0.00 -3.72 -0.07 0.00 -1.53 0.00 0.00 36.38 31.06 2ds4 s VAL 88 CO 0.00 0.56 0.05 -0.31 -3.33 0.00 0.00 175.10 172.07 2ds4 s TYR 89 N -1.10 2.03 -0.25 1.54 1.51 0.87 -1.81 117.35 120.14 2ds4 s TYR 89 Ca 0.25 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2ds4 s TYR 89 Cb -0.17 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.41 2ds4 s TYR 89 CO 0.14 0.06 -0.02 0.99 -1.11 0.00 0.00 175.55 175.61 2ds4 s THR 90 N -3.23 1.49 -0.08 -0.71 2.01 0.13 -1.48 115.64 113.76 2ds4 s THR 90 Ca 0.36 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 2ds4 s THR 90 Cb 0.09 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 2ds4 s THR 90 CO 0.16 -0.22 1.02 -0.69 -0.69 0.00 0.00 174.62 174.20 2ds4 s VAL 91 N 1.39 4.74 -0.47 3.82 1.01 -0.94 -2.55 120.40 127.40 2ds4 s VAL 91 Ca -0.02 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 2ds4 s VAL 91 Cb -0.19 -4.28 0.11 0.00 0.00 0.00 0.00 36.38 32.02 2ds4 s VAL 91 CO -0.09 0.03 0.36 0.26 0.00 0.00 0.00 175.10 175.67 2ds4 s TRP 92 N 1.85 3.35 -0.35 5.22 0.52 -0.92 -2.91 118.94 125.70 2ds4 s TRP 92 Ca 0.50 -1.59 -0.03 0.00 0.02 0.00 0.00 56.10 55.00 2ds4 s TRP 92 Cb -0.19 -3.40 0.07 0.00 -1.15 0.00 0.00 33.47 28.80 2ds4 s TRP 92 CO 0.20 -0.95 0.10 0.08 0.02 0.00 0.00 176.95 176.40 2ds4 s VAL 93 N 1.45 3.18 -0.00 4.03 1.01 -1.25 -2.80 120.40 126.01 2ds4 s VAL 93 Ca 0.04 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.38 2ds4 s VAL 93 Cb -0.26 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 2ds4 s VAL 93 CO 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 175.10 174.70 2ds4 s ILE 95 N -0.17 2.95 -1.17 0.00 1.01 0.23 -0.91 121.20 123.13 2ds4 s ILE 95 Ca 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 2ds4 s ILE 95 Cb -0.02 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2ds4 s ILE 95 CO -0.00 0.47 1.00 0.29 0.00 0.00 0.00 174.94 176.70 2ds4 n LYS 96 N 4.52 -6.65 -3.51 2.79 5.02 -1.05 -2.50 118.16 116.77 2ds4 n LYS 96 Ca -0.19 0.79 -0.22 0.00 -2.02 0.00 0.00 58.31 56.67 2ds4 n LYS 96 Cb 0.51 -5.65 0.08 0.00 -0.02 0.00 0.00 35.03 29.94 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 -4.21 -7.34 -3.74 1.97 1.02 -1.26 -5.00 120.64 102.07 2ds4 n GLU 97 Ca -0.17 0.77 -0.12 0.00 -0.02 0.00 0.00 57.16 57.62 2ds4 n GLU 97 Cb 0.62 -5.66 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ds4 s GLN 98 N -6.14 0.33 0.22 3.49 -0.21 -1.04 -5.14 119.66 111.17 2ds4 s GLN 98 Ca 0.50 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 56.12 2ds4 s GLN 98 Cb -0.22 0.06 -0.08 0.00 1.00 0.00 0.00 33.01 33.77 2ds4 s GLN 98 CO 0.68 -0.10 0.97 -3.38 -2.12 0.00 0.00 175.29 171.35 2ds4 s HIS 99 N 0.69 3.88 0.64 0.91 -3.43 -1.26 0.78 115.29 117.51 2ds4 s HIS 99 Ca -0.04 1.85 0.01 0.00 -0.80 0.00 0.00 55.06 56.08 2ds4 s HIS 99 Cb -0.06 -3.05 0.09 0.00 -1.43 0.00 0.00 32.58 28.14 2ds4 s HIS 99 CO -0.05 0.23 0.89 0.14 -2.00 0.00 0.00 174.74 173.95 2ds4 s VAL 100 N -0.90 2.32 0.49 -5.38 -7.23 -1.18 -4.07 120.40 104.45 2ds4 s VAL 100 Ca 0.43 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.70 2ds4 s VAL 100 Cb -0.26 -2.64 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 2ds4 s VAL 100 CO 0.33 0.00 0.97 1.67 -0.31 0.00 0.00 175.10 177.76 2ds4 n GLN 101 N -2.59 1.18 -4.16 4.82 7.27 -1.15 -2.31 117.38 120.44 2ds4 n GLN 101 Ca 0.13 0.43 -0.30 0.00 0.07 0.00 0.00 57.00 57.33 2ds4 n GLN 101 Cb 0.60 -2.08 -0.05 0.00 2.41 0.00 0.00 30.24 31.12 2ds4 n GLN 101 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ds4 n GLY 102 N 1.24 -0.24 3.58 1.69 0.00 -1.26 -4.86 105.19 105.34 2ds4 n GLY 102 Ca 0.11 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.10 -0.72 1.09 1.61 0.15 -0.98 -4.35 113.70 106.39 2ds4 s SER 103 Ca 0.20 1.36 -0.15 0.00 0.70 0.00 0.00 55.95 58.06 2ds4 s SER 103 Cb -0.11 1.37 0.23 0.00 -1.71 0.00 0.00 66.02 65.80 2ds4 s SER 103 CO 0.94 -0.23 1.10 -2.16 1.20 0.00 0.00 173.24 174.09 2ds4 s PRO 104 N 0.50 -0.29 0.11 5.44 0.04 -1.26 -4.33 135.00 135.21 2ds4 s PRO 104 Ca -0.01 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 2ds4 s PRO 104 Cb -0.05 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2ds4 s PRO 104 CO -0.01 -3.16 0.07 -0.59 0.04 0.00 0.00 177.00 173.34 2ds4 s PHE 105 N -2.98 0.68 0.33 0.56 -0.12 -1.15 -5.01 117.98 110.30 2ds4 s PHE 105 Ca 0.68 -1.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.39 2ds4 s PHE 105 Cb -0.15 -0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 41.80 2ds4 s PHE 105 CO 0.57 -0.51 0.63 0.99 -0.05 0.00 0.00 175.22 176.85 2ds4 s THR 106 N -4.00 4.94 -0.10 -4.49 2.01 -1.26 -2.21 115.64 110.53 2ds4 s THR 106 Ca 0.18 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 2ds4 s THR 106 Cb 0.07 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.88 2ds4 s THR 106 CO -0.02 -0.39 0.26 -0.69 -0.69 0.00 0.00 174.62 173.08 2ds4 s VAL 107 N -2.19 -0.01 -0.19 3.82 1.01 -0.55 -4.66 120.40 117.63 2ds4 s VAL 107 Ca 0.46 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 2ds4 s VAL 107 Cb -0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2ds4 s VAL 107 CO 0.30 0.02 0.10 0.28 0.00 0.00 0.00 175.10 175.80 2ds4 s THR 108 N 0.53 5.12 -0.43 3.92 -1.32 -1.23 -0.09 115.64 122.14 2ds4 s THR 108 Ca -0.03 0.09 -0.07 0.00 -1.21 0.00 0.00 61.69 60.46 2ds4 s THR 108 Cb -0.05 -3.33 0.10 0.00 -1.51 0.00 0.00 72.50 67.72 2ds4 s THR 108 CO -0.03 0.45 0.27 -0.69 -2.21 0.00 0.00 174.62 172.41 2ds4 s VAL 109 N 0.39 3.91 1.15 5.08 1.01 0.16 0.04 120.40 132.14 2ds4 s VAL 109 Ca 0.06 -1.76 -0.17 0.00 0.00 0.00 0.00 61.98 60.11 2ds4 s VAL 109 Cb -0.12 -3.55 0.26 0.00 0.00 0.00 0.00 36.38 32.98 2ds4 s VAL 109 CO -0.01 -0.66 1.09 -0.13 0.00 0.00 0.00 175.10 175.39 2ds4 s ARG 110 N 1.31 -0.83 -0.34 2.72 0.52 0.85 -1.00 118.95 122.17 2ds4 s ARG 110 Ca 0.05 0.14 -0.05 0.00 -0.52 0.00 0.00 55.73 55.35 2ds4 s ARG 110 Cb -0.24 -1.62 0.05 0.00 0.52 0.00 0.00 34.95 33.65 2ds4 s ARG 110 CO -0.01 -3.49 0.10 -0.98 0.02 0.00 0.00 175.30 170.93 2ds4 s ARG 111 N -5.23 2.52 0.99 3.54 1.70 -1.26 0.49 118.95 121.70 2ds4 s ARG 111 Ca 0.69 -1.27 -0.17 0.00 -0.47 0.00 0.00 55.73 54.51 2ds4 s ARG 111 Cb -0.13 -3.42 -0.15 0.00 -0.57 0.00 0.00 34.95 30.68 2ds4 s ARG 111 CO 0.57 -0.71 -0.76 1.17 -1.08 0.00 0.00 175.30 174.49 2ds4 n LYS 112 N 4.75 -0.01 0.00 3.89 4.81 -1.26 -4.90 118.16 125.45 2ds4 n LYS 112 Ca -0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2ds4 n LYS 112 Cb 0.44 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.47 2ds4 n LYS 112 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15