#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 4.45 -0.22 1.61 0.01 -1.26 -5.11 113.70 113.18 2ds4 s SER 2 Ca 0.00 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 2ds4 s SER 2 Cb 0.00 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.40 2ds4 s SER 2 CO 0.00 0.21 0.13 -0.55 0.41 0.00 0.00 173.24 173.44 2ds4 s SER 3 N -1.92 2.59 -0.13 2.44 0.15 -1.26 -5.14 113.70 110.44 2ds4 s SER 3 Ca 0.20 -0.80 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 2ds4 s SER 3 Cb -0.11 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 2ds4 s SER 3 CO 0.12 -0.38 0.10 -0.83 1.20 0.00 0.00 173.24 173.44 2ds4 s GLY 4 N 2.16 2.04 0.56 9.45 0.00 -1.26 -4.91 107.32 115.36 2ds4 s GLY 4 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 44.72 43.99 2ds4 s GLY 4 CO -0.20 -0.32 0.76 -1.26 0.00 0.00 0.00 173.10 172.09 2ds4 n SER 5 N 2.38 0.19 0.02 1.64 2.88 -1.25 -4.96 113.62 114.52 2ds4 n SER 5 Ca -0.19 -1.36 -0.01 0.00 -1.33 0.00 0.00 58.87 55.98 2ds4 n SER 5 Cb 0.54 -0.57 -0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2ds4 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ds4 n SER 6 N -3.41 1.09 0.00 -3.46 2.88 -1.26 -5.12 113.62 104.34 2ds4 n SER 6 Ca 0.10 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2ds4 n SER 6 Cb 0.35 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 3.14 2.63 3.75 0.46 0.00 -1.26 -5.16 105.19 108.75 2ds4 n GLY 7 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 2.32 2.19 0.20 1.61 4.04 -1.26 -5.05 118.70 122.75 2ds4 s GLU 8 Ca 0.00 -2.40 -0.17 0.00 0.04 0.00 0.00 54.97 52.44 2ds4 s GLU 8 Cb 0.00 -1.46 -0.08 0.00 0.02 0.00 0.00 34.13 32.61 2ds4 s GLU 8 CO 0.00 -0.38 0.65 0.54 -1.84 0.00 0.00 175.26 174.23 2ds4 s VAL 9 N -2.91 4.71 -0.05 1.83 0.11 -1.26 -3.01 120.40 119.82 2ds4 s VAL 9 Ca 0.06 1.05 0.03 0.00 -2.93 0.00 0.00 61.98 60.18 2ds4 s VAL 9 Cb 0.01 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2ds4 s VAL 9 CO 0.03 0.18 -0.12 -0.62 -3.33 0.00 0.00 175.10 171.25 2ds4 s ASP 10 N -1.75 1.64 0.20 3.54 2.15 -0.97 -4.80 116.67 116.69 2ds4 s ASP 10 Ca 0.42 -0.27 -0.03 0.00 0.43 0.00 0.00 52.55 53.10 2ds4 s ASP 10 Cb -0.15 -0.61 0.16 0.00 -0.30 0.00 0.00 42.92 42.02 2ds4 s ASP 10 CO 0.20 0.06 1.56 1.55 -0.17 0.00 0.00 175.17 178.37 2ds4 h PRO 11 N 6.66 0.63 0.00 4.34 0.13 -1.89 -1.95 132.00 139.92 2ds4 h PRO 11 Ca -0.32 -0.33 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 2ds4 h PRO 11 Cb 1.18 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ds4 h PRO 11 CO 0.48 0.93 -0.10 0.00 -0.23 0.00 0.00 178.00 179.08 2ds4 h ALA 12 N 1.02 1.14 0.00 -0.56 0.00 -1.90 -2.39 119.26 116.57 2ds4 h ALA 12 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2ds4 h ALA 12 Cb 0.94 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2ds4 h ALA 12 CO 0.08 0.12 -1.56 1.63 0.00 0.00 0.00 179.25 179.53 2ds4 n LYS 13 N -3.41 0.63 -0.70 0.00 4.76 -1.10 -4.46 118.16 113.88 2ds4 n LYS 13 Ca -0.01 0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 2ds4 n LYS 13 Cb 0.26 -1.73 0.17 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.64 0.00 0.04 0.00 -7.23 -1.17 -4.06 120.40 105.34 2ds4 s VAL 15 Ca 0.67 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2ds4 s VAL 15 Cb -0.23 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2ds4 s VAL 15 CO 0.58 0.00 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.48 2ds4 s LEU 16 N -3.18 2.17 0.11 1.32 1.43 -1.26 -2.56 118.68 116.71 2ds4 s LEU 16 Ca 0.29 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2ds4 s LEU 16 Cb 0.00 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2ds4 s LEU 16 CO 0.17 0.02 0.01 -1.10 0.23 0.00 0.00 176.35 175.68 2ds4 s GLN 17 N -1.15 2.54 0.00 1.70 -1.52 0.06 -4.99 119.66 116.30 2ds4 s GLN 17 Ca 0.01 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.54 2ds4 s GLN 17 Cb -0.08 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 2ds4 s GLN 17 CO 0.01 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 2ds4 n GLY 18 N 0.42 3.77 0.23 3.09 0.00 -1.26 -3.66 105.19 107.78 2ds4 n GLY 18 Ca -0.10 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2ds4 n GLY 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ds4 h GLU 19 N 0.00 0.68 -2.24 1.61 4.11 -1.97 -3.28 114.58 113.49 2ds4 h GLU 19 Ca 0.00 -0.40 -0.72 0.00 0.07 0.00 0.00 59.36 58.31 2ds4 h GLU 19 Cb 0.00 0.03 -0.33 0.00 0.50 0.00 0.00 28.75 28.95 2ds4 h GLU 19 CO 0.00 1.02 0.33 -0.40 0.07 0.00 0.00 179.01 180.03 2ds4 n ASP 20 N -4.00 6.18 0.10 3.06 5.75 -1.26 -4.69 116.55 121.68 2ds4 n ASP 20 Ca -0.03 -3.70 0.05 0.00 -0.01 0.00 0.00 54.79 51.10 2ds4 n ASP 20 Cb 0.58 -0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 39.76 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ds4 h LEU 21 N 3.64 0.00 -3.41 -2.12 3.38 -1.92 -3.29 115.31 111.58 2ds4 h LEU 21 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2ds4 h LEU 21 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ds4 h LEU 21 CO 1.04 0.35 0.00 1.41 0.09 0.00 0.00 178.44 181.33 2ds4 n HIS 22 N -2.94 1.93 -3.65 1.13 8.25 -1.26 -4.81 115.22 113.87 2ds4 n HIS 22 Ca -0.03 -0.68 -0.15 0.00 -0.26 0.00 0.00 57.72 56.60 2ds4 n HIS 22 Cb 0.71 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.54 0.81 0.18 -0.41 3.52 -1.24 -2.88 118.95 116.39 2ds4 s ARG 23 Ca 0.53 0.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.28 2ds4 s ARG 23 Cb 0.39 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 34.16 2ds4 s ARG 23 CO 0.17 -0.21 0.37 0.00 -0.81 0.00 0.00 175.30 174.83 2ds4 s ALA 24 N -0.79 -0.28 0.14 6.12 0.00 -0.79 -4.86 121.76 121.30 2ds4 s ALA 24 Ca -0.08 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2ds4 s ALA 24 Cb -0.03 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2ds4 s ALA 24 CO 0.05 -0.72 -0.01 0.50 0.00 0.00 0.00 175.76 175.59 2ds4 s ARG 25 N -3.95 2.43 0.12 0.00 6.06 -1.26 -1.50 118.95 120.85 2ds4 s ARG 25 Ca 0.16 -1.00 -0.31 0.00 -2.50 0.00 0.00 55.73 52.08 2ds4 s ARG 25 Cb 0.02 -2.42 -0.07 0.00 0.06 0.00 0.00 34.95 32.53 2ds4 s ARG 25 CO 0.00 0.49 1.26 -2.00 -2.50 0.00 0.00 175.30 172.56 2ds4 s GLU 26 N -2.65 4.41 -1.49 5.12 2.12 0.43 -2.99 118.70 123.65 2ds4 s GLU 26 Ca 0.26 1.91 -0.06 0.00 0.36 0.00 0.00 54.97 57.44 2ds4 s GLU 26 Cb -0.10 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.02 2ds4 s GLU 26 CO 0.18 -0.26 0.84 1.63 -0.54 0.00 0.00 175.26 177.10 2ds4 n LYS 27 N 3.43 -6.11 -4.37 4.30 5.02 -0.32 -3.99 118.16 116.13 2ds4 n LYS 27 Ca 0.08 0.88 -0.22 0.00 -2.02 0.00 0.00 58.31 57.04 2ds4 n LYS 27 Cb 0.44 -5.82 -0.11 0.00 -0.02 0.00 0.00 35.03 29.52 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 -5.95 1.40 -0.42 1.97 2.00 -1.16 -4.96 119.66 112.54 2ds4 s GLN 28 Ca 0.42 -1.55 -0.17 0.00 -2.00 0.00 0.00 55.36 52.06 2ds4 s GLN 28 Cb -0.18 -1.41 0.03 0.00 0.80 0.00 0.00 33.01 32.25 2ds4 s GLN 28 CO 0.51 0.27 0.41 0.99 -0.50 0.00 0.00 175.29 176.97 2ds4 s THR 29 N -2.39 5.13 -0.23 -0.34 2.01 -1.26 -4.07 115.64 114.49 2ds4 s THR 29 Ca 0.21 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 2ds4 s THR 29 Cb -0.04 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.47 2ds4 s THR 29 CO 0.09 -0.42 -0.10 0.00 -0.69 0.00 0.00 174.62 173.50 2ds4 s ALA 30 N 2.01 2.59 0.23 7.40 0.00 -0.76 -4.97 121.76 128.27 2ds4 s ALA 30 Ca 0.10 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.72 2ds4 s ALA 30 Cb -0.18 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2ds4 s ALA 30 CO 0.12 -0.73 -0.16 -1.54 0.00 0.00 0.00 175.76 173.45 2ds4 s SER 31 N 1.29 2.92 0.20 0.00 1.04 -1.26 -1.28 113.70 116.61 2ds4 s SER 31 Ca 0.00 -1.02 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 2ds4 s SER 31 Cb -0.16 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 2ds4 s SER 31 CO -0.07 -0.09 0.30 0.72 0.98 0.00 0.00 173.24 175.08 2ds4 s PHE 32 N -2.78 0.61 -0.17 5.02 -0.71 -0.27 -4.98 117.98 114.70 2ds4 s PHE 32 Ca 0.25 -0.94 -0.06 0.00 -1.04 0.00 0.00 56.93 55.14 2ds4 s PHE 32 Cb -0.02 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 2ds4 s PHE 32 CO 0.10 -0.78 0.02 0.99 -1.34 0.00 0.00 175.22 174.21 2ds4 s THR 33 N -4.04 4.45 -0.40 -4.49 2.01 -1.24 -2.88 115.64 109.06 2ds4 s THR 33 Ca 0.25 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 2ds4 s THR 33 Cb 0.03 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.61 2ds4 s THR 33 CO 0.06 0.47 0.23 -0.22 -0.69 0.00 0.00 174.62 174.47 2ds4 s LEU 34 N 0.35 4.93 0.24 4.42 2.96 -1.13 -0.76 118.68 129.69 2ds4 s LEU 34 Ca 0.00 -1.29 -0.27 0.00 -0.22 0.00 0.00 54.13 52.35 2ds4 s LEU 34 Cb -0.13 -1.99 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 2ds4 s LEU 34 CO 0.01 -0.47 0.88 -0.76 -1.32 0.00 0.00 176.35 174.69 2ds4 s LEU 35 N 1.47 4.53 -0.22 -0.68 1.43 -1.06 -2.48 118.68 121.67 2ds4 s LEU 35 Ca 0.02 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 2ds4 s LEU 35 Cb -0.21 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.39 2ds4 s LEU 35 CO 0.04 0.10 -0.12 0.00 0.23 0.00 0.00 176.35 176.60 2ds4 s LYS 37 N 1.32 2.24 0.56 0.00 3.01 -1.26 -3.46 119.74 122.14 2ds4 s LYS 37 Ca 0.02 -1.97 0.01 0.00 -1.01 0.00 0.00 55.97 53.02 2ds4 s LYS 37 Cb -0.15 -1.95 0.11 0.00 -1.01 0.00 0.00 37.83 34.83 2ds4 s LYS 37 CO -0.08 -0.29 0.78 -0.40 0.51 0.00 0.00 175.35 175.87 2ds4 n ASP 38 N -1.39 1.19 0.30 2.83 5.68 -0.48 -2.28 116.55 122.41 2ds4 n ASP 38 Ca -0.04 -1.97 0.17 0.00 -0.50 0.00 0.00 54.79 52.45 2ds4 n ASP 38 Cb 0.65 -0.49 0.97 0.00 -1.14 0.00 0.00 41.12 41.11 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ds4 h ALA 39 N -0.45 1.38 0.00 2.12 0.00 -1.85 0.42 119.26 120.89 2ds4 h ALA 39 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ds4 h ALA 39 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ds4 h ALA 39 CO 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 2ds4 h ALA 40 N 1.99 0.98 0.00 0.00 0.00 -1.93 -3.47 119.26 116.82 2ds4 h ALA 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ds4 h ALA 40 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 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 1.23 0.94 3.43 0.00 0.00 0.14 -5.08 105.19 105.84 2ds4 n GLY 41 Ca 0.05 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.83 1.53 0.09 1.61 -1.05 -1.26 -4.84 118.70 112.95 2ds4 s GLU 42 Ca 0.00 -1.56 -0.35 0.00 -0.15 0.00 0.00 54.97 52.91 2ds4 s GLU 42 Cb 0.00 -1.81 -0.14 0.00 -0.44 0.00 0.00 34.13 31.74 2ds4 s GLU 42 CO 0.00 0.38 1.58 -0.89 0.95 0.00 0.00 175.26 177.29 2ds4 n ILE 43 N 0.11 0.10 0.00 1.83 2.08 -1.26 -1.38 119.36 120.84 2ds4 n ILE 43 Ca -0.11 -0.02 -0.12 0.00 0.56 0.00 0.00 62.75 63.06 2ds4 n ILE 43 Cb 0.57 -1.44 -0.14 0.00 -0.75 0.00 0.00 39.64 37.88 2ds4 n ILE 43 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ds4 h MET 44 N 6.21 0.09 -4.38 0.38 -0.00 -1.88 -3.46 114.93 111.88 2ds4 h MET 44 Ca -0.46 -0.15 -0.27 0.00 -0.00 0.00 0.00 59.70 58.82 2ds4 h MET 44 Cb 1.27 0.06 0.10 0.00 -0.00 0.00 0.00 31.60 33.03 2ds4 h MET 44 CO 0.88 0.77 -0.48 0.41 -0.00 0.00 0.00 176.91 178.49 2ds4 n GLY 45 N 1.63 -0.09 3.49 -3.00 0.00 -1.26 -3.85 105.19 102.11 2ds4 n GLY 45 Ca -0.18 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.82 0.96 0.56 1.61 1.04 -0.83 -4.87 118.95 111.60 2ds4 s ARG 46 Ca 0.37 -0.25 0.06 0.00 -1.04 0.00 0.00 55.73 54.87 2ds4 s ARG 46 Cb -0.16 0.44 0.06 0.00 -2.04 0.00 0.00 34.95 33.25 2ds4 s ARG 46 CO 0.51 -0.40 0.50 0.41 -0.04 0.00 0.00 175.30 176.28 2ds4 n GLY 47 N -0.06 2.57 0.00 3.88 0.00 -1.26 -4.14 105.19 106.18 2ds4 n GLY 47 Ca -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.75 1.62 3.28 -0.02 0.00 -1.26 -5.00 105.19 102.07 2ds4 n GLY 48 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.78 3.55 -0.67 1.61 1.01 -1.26 -5.04 116.67 114.08 2ds4 s ASP 49 Ca 0.00 -0.46 -0.26 0.00 0.71 0.00 0.00 52.55 52.54 2ds4 s ASP 49 Cb 0.00 -1.52 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 2ds4 s ASP 49 CO 0.00 0.15 1.79 0.20 0.21 0.00 0.00 175.17 177.52 2ds4 s ASN 50 N 0.44 5.39 -0.07 0.27 0.01 -1.26 -4.96 114.94 114.75 2ds4 s ASN 50 Ca -0.13 0.08 -0.18 0.00 -0.71 0.00 0.00 52.86 51.92 2ds4 s ASN 50 Cb -0.17 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 2ds4 s ASN 50 CO 0.06 -2.34 0.50 -0.69 -1.51 0.00 0.00 177.10 173.12 2ds4 s VAL 51 N 8.71 5.10 -0.23 1.60 1.01 -1.26 -2.01 120.40 133.32 2ds4 s VAL 51 Ca 0.63 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2ds4 s VAL 51 Cb -0.11 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2ds4 s VAL 51 CO 0.17 0.38 -0.12 -1.10 0.00 0.00 0.00 175.10 174.43 2ds4 s GLN 52 N 0.21 2.26 -0.13 2.72 -0.21 -0.41 -5.03 119.66 119.08 2ds4 s GLN 52 Ca 0.27 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.59 2ds4 s GLN 52 Cb -0.16 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2ds4 s GLN 52 CO 0.12 -0.47 -0.22 0.08 -2.12 0.00 0.00 175.29 172.69 2ds4 s VAL 53 N 1.24 2.18 -0.20 1.09 1.01 -1.25 -2.59 120.40 121.89 2ds4 s VAL 53 Ca -0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 2ds4 s VAL 53 Cb -0.18 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.42 2ds4 s VAL 53 CO -0.07 0.55 0.44 0.00 0.00 0.00 0.00 175.10 176.01 2ds4 s ALA 54 N 0.61 -1.21 -0.39 5.51 0.00 -0.90 -4.99 121.76 120.40 2ds4 s ALA 54 Ca -0.12 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2ds4 s ALA 54 Cb -0.16 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.72 2ds4 s ALA 54 CO 0.03 -0.64 0.23 0.08 0.00 0.00 0.00 175.76 175.47 2ds4 s VAL 55 N 2.31 4.77 -0.20 0.00 1.01 -1.26 -0.52 120.40 126.51 2ds4 s VAL 55 Ca -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ds4 s VAL 55 Cb -0.11 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2ds4 s VAL 55 CO -0.13 -0.26 -0.07 -0.69 0.00 0.00 0.00 175.10 173.95 2ds4 s VAL 56 N 1.59 3.26 -0.00 2.92 1.01 -1.13 -3.49 120.40 124.56 2ds4 s VAL 56 Ca 0.03 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2ds4 s VAL 56 Cb -0.19 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2ds4 s VAL 56 CO 0.08 0.45 1.45 -2.16 0.00 0.00 0.00 175.10 174.92 2ds4 s PRO 57 N 1.23 4.26 0.60 2.72 0.04 -1.26 -2.12 135.00 140.47 2ds4 s PRO 57 Ca 0.03 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.37 2ds4 s PRO 57 Cb -0.14 -3.63 1.48 0.00 0.04 0.00 0.00 34.50 32.25 2ds4 s PRO 57 CO -0.02 -0.63 1.89 0.87 0.04 0.00 0.00 177.00 179.15 2ds4 h LYS 58 N 8.08 0.00 0.18 4.56 1.79 -1.85 -2.53 116.57 126.80 2ds4 h LYS 58 Ca -0.38 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.08 2ds4 h LYS 58 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2ds4 h LYS 58 CO 0.91 0.00 -0.09 0.22 -1.08 0.00 0.00 179.45 179.42 2ds4 h ASP 59 N 0.00 -0.21 -3.47 0.86 1.82 -1.90 -3.44 116.42 110.09 2ds4 h ASP 59 Ca 0.18 0.01 -0.62 0.00 -0.39 0.00 0.00 57.03 56.21 2ds4 h ASP 59 Cb 1.11 0.05 -0.17 0.00 0.68 0.00 0.00 39.33 41.01 2ds4 h ASP 59 CO -0.00 -0.07 -0.55 -0.54 -1.61 0.00 0.00 179.24 176.46 2ds4 s LYS 60 N -2.70 3.96 0.46 0.28 -0.14 -0.95 -4.97 119.74 115.68 2ds4 s LYS 60 Ca -0.04 -0.34 0.27 0.00 -1.36 0.00 0.00 55.97 54.50 2ds4 s LYS 60 Cb 0.00 -3.36 0.72 0.00 -1.68 0.00 0.00 37.83 33.51 2ds4 s LYS 60 CO 0.11 0.11 1.74 0.87 -0.76 0.00 0.00 175.35 177.42 2ds4 h LYS 61 N 7.28 0.00 0.00 1.68 6.56 -1.85 -3.35 116.57 126.88 2ds4 h LYS 61 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 2ds4 h LYS 61 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2ds4 h LYS 61 CO 0.66 0.00 -0.48 -3.47 -2.06 0.00 0.00 179.45 174.10 2ds4 n ASP 62 N -3.05 1.09 -3.00 0.86 -0.08 -1.26 -4.88 116.55 106.23 2ds4 n ASP 62 Ca 0.03 0.29 -0.23 0.00 -1.51 0.00 0.00 54.79 53.36 2ds4 n ASP 62 Cb 0.45 -0.66 -0.12 0.00 2.34 0.00 0.00 41.12 43.12 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2ds4 n SER 63 N -3.62 -0.21 -3.59 1.67 2.88 -1.26 -4.84 113.62 104.64 2ds4 n SER 63 Ca -0.07 -0.05 -0.30 0.00 -1.33 0.00 0.00 58.87 57.12 2ds4 n SER 63 Cb 0.25 -0.52 0.25 0.00 -0.75 0.00 0.00 64.21 63.44 2ds4 n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ds4 s PRO 64 N 5.54 -1.62 -0.00 -1.46 0.04 -1.26 -4.42 135.00 131.82 2ds4 s PRO 64 Ca 0.90 -0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.75 2ds4 s PRO 64 Cb -0.75 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2ds4 s PRO 64 CO 0.35 -3.95 -0.08 0.08 0.04 0.00 0.00 177.00 173.44 2ds4 s VAL 65 N -3.02 0.60 0.11 -0.36 1.01 -1.23 -4.95 120.40 112.56 2ds4 s VAL 65 Ca 0.72 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 2ds4 s VAL 65 Cb -0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 2ds4 s VAL 65 CO 0.56 0.16 1.39 -0.13 0.00 0.00 0.00 175.10 177.07 2ds4 s ARG 66 N -0.21 4.32 0.12 2.72 1.81 -1.26 -4.72 118.95 121.72 2ds4 s ARG 66 Ca 0.03 2.07 0.00 0.00 -1.72 0.00 0.00 55.73 56.11 2ds4 s ARG 66 Cb -0.03 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.16 2ds4 s ARG 66 CO -0.00 -0.44 0.00 0.95 -0.68 0.00 0.00 175.30 175.12 2ds4 s THR 67 N 1.17 0.41 0.00 0.02 -4.23 -1.26 -2.73 115.64 109.03 2ds4 s THR 67 Ca 0.65 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2ds4 s THR 67 Cb -0.37 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2ds4 s THR 67 CO 0.30 -0.64 -0.04 -0.32 -0.54 0.00 0.00 174.62 173.38 2ds4 s MET 68 N -3.94 0.29 -0.06 3.99 1.75 0.16 -4.97 119.30 116.51 2ds4 s MET 68 Ca 0.19 -0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.38 2ds4 s MET 68 Cb 0.07 -0.22 0.04 0.00 2.84 0.00 0.00 34.83 37.55 2ds4 s MET 68 CO -0.01 0.06 0.11 0.54 -0.65 0.00 0.00 175.02 175.07 2ds4 s VAL 69 N -0.31 -0.17 -0.27 10.11 0.11 -1.26 -1.87 120.40 126.74 2ds4 s VAL 69 Ca -0.01 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2ds4 s VAL 69 Cb -0.03 -0.22 0.07 0.00 -1.53 0.00 0.00 36.38 34.68 2ds4 s VAL 69 CO -0.00 0.15 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.31 2ds4 s GLN 70 N 2.02 1.62 0.00 1.54 2.00 -1.00 -5.01 119.66 120.83 2ds4 s GLN 70 Ca 0.01 -1.25 -0.30 0.00 -2.00 0.00 0.00 55.36 51.82 2ds4 s GLN 70 Cb -0.12 -2.71 -0.06 0.00 0.80 0.00 0.00 33.01 30.92 2ds4 s GLN 70 CO -0.05 -0.70 1.43 0.34 -0.50 0.00 0.00 175.29 175.81 2ds4 s ASP 71 N 1.26 6.82 0.00 6.67 -1.08 -1.26 -3.14 116.67 125.94 2ds4 s ASP 71 Ca -0.01 2.15 0.23 0.00 -0.52 0.00 0.00 52.55 54.39 2ds4 s ASP 71 Cb -0.19 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.75 2ds4 s ASP 71 CO -0.08 -0.74 1.10 0.59 0.52 0.00 0.00 175.17 176.56 2ds4 n ASN 72 N 5.47 1.50 -4.38 -0.34 3.02 -1.26 -4.97 115.26 114.30 2ds4 n ASN 72 Ca 0.14 -1.20 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 2ds4 n ASN 72 Cb 0.43 0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 40.13 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 -0.66 -1.65 0.00 3.52 4.76 -1.26 -4.71 118.16 118.16 2ds4 n LYS 73 Ca 0.08 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 2ds4 n LYS 73 Cb 0.40 -4.66 0.00 0.00 -1.84 0.00 0.00 35.03 28.93 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ds4 n ASP 74 N -2.61 1.50 0.00 4.39 8.00 -1.26 -4.25 116.55 122.31 2ds4 n ASP 74 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2ds4 n ASP 74 Cb 0.51 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 1.74 0.50 3.15 0.44 0.00 -1.26 -1.96 105.19 107.80 2ds4 n GLY 75 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.76 0.23 2.61 -4.23 -1.26 -2.33 115.64 112.42 2ds4 s THR 76 Ca 0.00 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 2ds4 s THR 76 Cb 0.00 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 2ds4 s THR 76 CO 0.00 0.49 0.33 -0.31 -0.54 0.00 0.00 174.62 174.60 2ds4 s TYR 77 N 0.50 3.42 -0.39 3.99 1.51 -1.03 -4.16 117.35 121.20 2ds4 s TYR 77 Ca -0.16 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2ds4 s TYR 77 Cb -0.17 -1.57 0.11 0.00 -0.11 0.00 0.00 41.96 40.22 2ds4 s TYR 77 CO 0.06 0.46 0.14 -0.47 -1.11 0.00 0.00 175.55 174.63 2ds4 s TYR 78 N -1.95 3.65 -0.20 2.71 5.04 -1.19 -2.84 117.35 122.57 2ds4 s TYR 78 Ca 0.34 -2.77 -0.06 0.00 -2.44 0.00 0.00 57.07 52.14 2ds4 s TYR 78 Cb -0.09 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.14 2ds4 s TYR 78 CO 0.29 -0.94 0.02 0.42 -1.34 0.00 0.00 175.55 173.99 2ds4 s ILE 79 N 0.89 4.17 0.02 3.14 1.01 -1.14 -2.38 121.20 126.91 2ds4 s ILE 79 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2ds4 s ILE 79 Cb -0.21 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2ds4 s ILE 79 CO -0.06 0.42 -0.11 -0.94 0.00 0.00 0.00 174.94 174.26 2ds4 s SER 80 N 0.96 1.23 0.02 3.58 1.04 -0.78 -1.12 113.70 118.63 2ds4 s SER 80 Ca 0.02 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2ds4 s SER 80 Cb -0.14 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2ds4 s SER 80 CO 0.02 0.02 -0.03 -0.72 0.98 0.00 0.00 173.24 173.51 2ds4 s TYR 81 N -0.66 0.25 -0.30 5.02 1.13 -0.41 0.37 117.35 122.75 2ds4 s TYR 81 Ca 0.00 -0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.29 2ds4 s TYR 81 Cb -0.06 -0.17 0.10 0.00 -1.10 0.00 0.00 41.96 40.72 2ds4 s TYR 81 CO 0.00 -0.12 0.09 0.99 -2.51 0.00 0.00 175.55 174.01 2ds4 s THR 82 N -1.00 0.78 0.71 -3.49 2.01 -1.11 -1.82 115.64 111.72 2ds4 s THR 82 Ca -0.10 -1.28 -0.13 0.00 0.31 0.00 0.00 61.69 60.49 2ds4 s THR 82 Cb -0.07 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.90 2ds4 s THR 82 CO -0.01 -0.63 1.10 -2.16 -0.69 0.00 0.00 174.62 172.23 2ds4 s PRO 83 N 1.67 2.55 -0.15 4.92 0.04 -1.26 -4.40 135.00 138.37 2ds4 s PRO 83 Ca 0.09 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2ds4 s PRO 83 Cb -0.17 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2ds4 s PRO 83 CO -0.25 -1.43 -0.15 0.36 0.04 0.00 0.00 177.00 175.57 2ds4 n LYS 84 N -2.92 0.36 -4.54 4.56 2.85 -1.26 -1.17 118.16 116.04 2ds4 n LYS 84 Ca 0.10 0.10 -0.30 0.00 -1.05 0.00 0.00 58.31 57.15 2ds4 n LYS 84 Cb 0.52 -1.24 -0.12 0.00 -0.65 0.00 0.00 35.03 33.54 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ds4 s GLU 85 N -2.30 2.04 0.75 -1.58 2.02 -1.26 -4.46 118.70 113.92 2ds4 s GLU 85 Ca -0.21 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.66 2ds4 s GLU 85 Cb 0.06 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 32.14 2ds4 s GLU 85 CO 0.33 0.53 1.09 -1.25 0.02 0.00 0.00 175.26 175.98 2ds4 s PRO 86 N -1.64 2.34 0.00 0.39 0.04 -1.26 -4.96 135.00 129.91 2ds4 s PRO 86 Ca 0.16 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2ds4 s PRO 86 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2ds4 s PRO 86 CO 0.07 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2ds4 n GLY 87 N -1.09 0.95 3.79 0.56 0.00 -0.76 -4.98 105.19 103.67 2ds4 n GLY 87 Ca 0.09 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.12 4.43 0.19 1.61 0.11 -1.26 -0.19 120.40 124.17 2ds4 s VAL 88 Ca 0.00 1.55 0.03 0.00 -2.93 0.00 0.00 61.98 60.62 2ds4 s VAL 88 Cb 0.00 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 2ds4 s VAL 88 CO 0.00 0.34 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.79 2ds4 s TYR 89 N -1.37 1.33 -0.29 1.54 1.51 0.11 -2.60 117.35 117.58 2ds4 s TYR 89 Ca 0.41 -0.96 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 2ds4 s TYR 89 Cb -0.20 -0.76 0.08 0.00 -0.11 0.00 0.00 41.96 40.98 2ds4 s TYR 89 CO 0.24 -0.12 0.01 0.99 -1.11 0.00 0.00 175.55 175.56 2ds4 s THR 90 N -3.54 1.66 -0.56 -0.71 2.01 -0.90 -0.36 115.64 113.24 2ds4 s THR 90 Ca 0.25 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.32 2ds4 s THR 90 Cb 0.05 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2ds4 s THR 90 CO 0.05 -0.39 1.33 -0.69 -0.69 0.00 0.00 174.62 174.23 2ds4 s VAL 91 N 1.27 3.87 -0.54 3.82 1.01 -0.56 -2.82 120.40 126.45 2ds4 s VAL 91 Ca 0.03 0.76 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 2ds4 s VAL 91 Cb -0.19 -4.54 0.03 0.00 0.00 0.00 0.00 36.38 31.68 2ds4 s VAL 91 CO -0.11 -1.23 1.09 0.26 0.00 0.00 0.00 175.10 175.11 2ds4 s TRP 92 N 5.62 2.73 -0.28 5.22 0.52 0.32 -3.08 118.94 129.98 2ds4 s TRP 92 Ca 0.49 0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.98 2ds4 s TRP 92 Cb -0.10 -4.32 0.08 0.00 -1.15 0.00 0.00 33.47 27.98 2ds4 s TRP 92 CO 0.25 -1.42 -0.00 0.08 0.02 0.00 0.00 176.95 175.88 2ds4 s VAL 93 N 4.47 1.74 0.03 4.03 1.01 -1.25 -2.12 120.40 128.31 2ds4 s VAL 93 Ca 0.40 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.73 2ds4 s VAL 93 Cb -0.09 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2ds4 s VAL 93 CO 0.25 -0.34 -0.05 0.00 0.00 0.00 0.00 175.10 174.96 2ds4 s ILE 95 N -1.69 1.69 -1.22 0.00 1.01 0.10 -1.29 121.20 119.80 2ds4 s ILE 95 Ca -0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 2ds4 s ILE 95 Cb -0.08 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2ds4 s ILE 95 CO -0.01 0.48 1.06 0.29 0.00 0.00 0.00 174.94 176.76 2ds4 n LYS 96 N 4.17 -7.14 -2.97 2.79 5.02 -0.85 -2.18 118.16 117.00 2ds4 n LYS 96 Ca -0.19 0.76 -0.18 0.00 -2.02 0.00 0.00 58.31 56.68 2ds4 n LYS 96 Cb 0.51 -5.61 0.04 0.00 -0.02 0.00 0.00 35.03 29.95 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 -4.52 -4.42 -3.69 1.97 1.02 -1.26 -5.00 120.64 104.74 2ds4 n GLU 97 Ca -0.04 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.65 2ds4 n GLU 97 Cb 0.57 -5.17 -0.15 0.00 -0.02 0.00 0.00 31.44 26.67 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 -5.58 0.07 -0.42 3.49 -0.21 -0.93 -5.10 119.66 110.98 2ds4 s GLN 98 Ca 0.29 0.55 -0.27 0.00 0.02 0.00 0.00 55.36 55.94 2ds4 s GLN 98 Cb -0.13 -0.21 -0.03 0.00 1.00 0.00 0.00 33.01 33.64 2ds4 s GLN 98 CO 0.36 -0.27 1.98 -3.38 -2.12 0.00 0.00 175.29 171.86 2ds4 s HIS 99 N 2.03 1.55 0.91 0.91 -3.43 -1.26 0.01 115.29 116.00 2ds4 s HIS 99 Ca -0.00 0.82 -0.13 0.00 -0.80 0.00 0.00 55.06 54.94 2ds4 s HIS 99 Cb -0.12 -3.99 0.21 0.00 -1.43 0.00 0.00 32.58 27.25 2ds4 s HIS 99 CO -0.06 -2.87 0.48 1.33 -2.00 0.00 0.00 174.74 171.62 2ds4 n VAL 100 N 7.51 0.00 -2.24 -5.38 0.24 -1.19 -4.79 118.33 112.48 2ds4 n VAL 100 Ca 0.26 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.17 2ds4 n VAL 100 Cb 0.49 -0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 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 -3.73 3.99 -1.39 7.34 -0.44 -1.01 -3.31 119.66 121.12 2ds4 s GLN 101 Ca 0.37 1.89 -0.09 0.00 -2.50 0.00 0.00 55.36 55.03 2ds4 s GLN 101 Cb -0.06 -2.65 0.03 0.00 -1.64 0.00 0.00 33.01 28.68 2ds4 s GLN 101 CO 0.31 -0.39 1.08 0.41 0.50 0.00 0.00 175.29 177.20 2ds4 n GLY 102 N 0.62 -0.50 3.57 2.59 0.00 -1.26 -4.79 105.19 105.43 2ds4 n GLY 102 Ca 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ds4 s SER 103 N -3.50 -0.47 0.88 1.61 0.01 -1.21 -4.45 113.70 106.57 2ds4 s SER 103 Ca 0.51 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 58.25 2ds4 s SER 103 Cb -0.23 0.50 0.12 0.00 0.21 0.00 0.00 66.02 66.61 2ds4 s SER 103 CO 0.76 -0.38 1.09 -2.16 0.41 0.00 0.00 173.24 172.97 2ds4 s PRO 104 N -0.87 1.39 0.10 12.44 0.04 -1.26 -4.43 135.00 142.41 2ds4 s PRO 104 Ca -0.03 0.86 0.03 0.00 0.04 0.00 0.00 61.00 61.90 2ds4 s PRO 104 Cb -0.01 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2ds4 s PRO 104 CO 0.03 -2.16 -0.09 -0.59 0.04 0.00 0.00 177.00 174.23 2ds4 s PHE 105 N -2.93 0.98 0.39 0.56 -0.12 -1.18 -5.00 117.98 110.68 2ds4 s PHE 105 Ca 0.63 -0.75 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 2ds4 s PHE 105 Cb -0.18 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 2ds4 s PHE 105 CO 0.57 -0.05 0.68 0.99 -0.05 0.00 0.00 175.22 177.35 2ds4 s THR 106 N -2.89 4.95 -0.05 -4.49 2.01 -1.26 -1.49 115.64 112.41 2ds4 s THR 106 Ca 0.08 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 2ds4 s THR 106 Cb 0.00 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.74 2ds4 s THR 106 CO -0.02 -0.58 0.12 -0.69 -0.69 0.00 0.00 174.62 172.77 2ds4 s VAL 107 N -2.40 -0.04 -0.42 3.82 1.01 0.52 -4.56 120.40 118.33 2ds4 s VAL 107 Ca 0.46 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 2ds4 s VAL 107 Cb -0.10 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.10 2ds4 s VAL 107 CO 0.36 0.06 0.38 -0.89 0.00 0.00 0.00 175.10 175.01 2ds4 s THR 108 N 0.87 5.16 -0.07 3.92 2.01 -1.14 0.10 115.64 126.49 2ds4 s THR 108 Ca -0.07 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 2ds4 s THR 108 Cb -0.09 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2ds4 s THR 108 CO -0.04 -0.39 0.53 -0.69 -0.69 0.00 0.00 174.62 173.34 2ds4 s VAL 109 N 1.95 5.07 0.35 3.82 1.01 0.74 -1.88 120.40 131.46 2ds4 s VAL 109 Ca 0.09 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.23 2ds4 s VAL 109 Cb -0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ds4 s VAL 109 CO 0.12 0.37 0.15 -0.13 0.00 0.00 0.00 175.10 175.62 2ds4 s ARG 110 N 0.21 2.35 1.11 2.72 1.81 -0.56 -1.83 118.95 124.76 2ds4 s ARG 110 Ca 0.28 -1.59 -0.20 0.00 -1.72 0.00 0.00 55.73 52.51 2ds4 s ARG 110 Cb -0.16 -2.15 0.08 0.00 -0.45 0.00 0.00 34.95 32.26 2ds4 s ARG 110 CO 0.13 0.07 -0.16 2.89 -0.68 0.00 0.00 175.30 177.55 2ds4 n ARG 111 N -1.17 -1.51 -0.69 3.54 0.00 -1.26 0.16 116.66 115.73 2ds4 n ARG 111 Ca -0.03 -0.43 -0.23 0.00 -0.00 0.00 0.00 57.85 57.16 2ds4 n ARG 111 Cb 0.62 -1.61 0.11 0.00 -0.00 0.00 0.00 32.46 31.58 2ds4 n ARG 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2ds4 n LYS 112 N -1.59 -1.33 0.00 2.89 4.01 -1.26 -3.24 118.16 117.65 2ds4 n LYS 112 Ca 0.00 -0.39 0.14 0.00 -0.51 0.00 0.00 58.31 57.56 2ds4 n LYS 112 Cb 0.63 -1.36 0.61 0.00 -0.51 0.00 0.00 35.03 34.40 2ds4 n LYS 112 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90