#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 n SER 2 N 0.00 -4.27 -4.72 1.61 7.64 -1.26 -4.94 113.62 107.68 2ds4 n SER 2 Ca 0.00 -0.53 -0.42 0.00 1.01 0.00 0.00 58.87 58.93 2ds4 n SER 2 Cb 0.00 -4.75 -0.03 0.00 -1.01 0.00 0.00 64.21 58.42 2ds4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ds4 s SER 3 N -3.73 7.00 0.36 6.43 0.01 -1.26 -4.79 113.70 117.73 2ds4 s SER 3 Ca 0.30 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2ds4 s SER 3 Cb -0.13 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2ds4 s SER 3 CO 0.68 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2ds4 n GLY 4 N 3.05 -1.69 3.65 3.44 0.00 -1.26 -5.12 105.19 107.26 2ds4 n GLY 4 Ca 0.09 0.35 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 2ds4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ds4 n SER 5 N -3.25 2.31 -0.04 1.61 2.88 -1.26 -4.89 113.62 110.98 2ds4 n SER 5 Ca 0.00 1.17 -0.10 0.00 -1.33 0.00 0.00 58.87 58.61 2ds4 n SER 5 Cb 0.00 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.03 2ds4 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ds4 h SER 6 N 3.14 0.22 0.00 -3.46 0.87 -1.94 -3.46 113.55 108.91 2ds4 h SER 6 Ca -0.44 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2ds4 h SER 6 Cb 1.30 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2ds4 h SER 6 CO 0.68 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 2ds4 n GLY 7 N -1.05 -1.79 1.98 5.77 0.00 -1.26 -5.12 105.19 103.72 2ds4 n GLY 7 Ca -0.04 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.29 0.33 -4.07 1.61 0.28 -1.26 -5.11 120.64 109.13 2ds4 n GLU 8 Ca 0.00 -1.87 -0.36 0.00 -0.16 0.00 0.00 57.16 54.77 2ds4 n GLU 8 Cb 0.00 1.64 -0.08 0.00 1.43 0.00 0.00 31.44 34.44 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 -2.75 5.03 -0.03 3.84 0.11 -1.26 -3.52 120.40 121.82 2ds4 s VAL 9 Ca 0.21 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 2ds4 s VAL 9 Cb 0.00 -3.17 -0.01 0.00 -1.53 0.00 0.00 36.38 31.67 2ds4 s VAL 9 CO 0.15 0.60 -0.22 -0.62 -3.33 0.00 0.00 175.10 171.68 2ds4 s ASP 10 N -0.88 2.67 0.01 3.54 2.15 -1.13 -4.88 116.67 118.16 2ds4 s ASP 10 Ca 0.14 -0.42 -0.23 0.00 0.43 0.00 0.00 52.55 52.46 2ds4 s ASP 10 Cb -0.12 -0.47 -0.17 0.00 -0.30 0.00 0.00 42.92 41.86 2ds4 s ASP 10 CO 0.03 0.25 1.31 1.55 -0.17 0.00 0.00 175.17 178.14 2ds4 h PRO 11 N 5.80 0.20 -0.66 4.34 0.13 -1.89 -2.22 132.00 137.70 2ds4 h PRO 11 Ca -0.37 -0.11 0.19 0.00 -0.87 0.00 0.00 66.00 64.84 2ds4 h PRO 11 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2ds4 h PRO 11 CO 0.47 0.63 0.63 0.00 -0.23 0.00 0.00 178.00 179.51 2ds4 h ALA 12 N 0.57 2.46 0.06 -0.56 0.00 -1.89 0.20 119.26 120.11 2ds4 h ALA 12 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2ds4 h ALA 12 Cb 0.59 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2ds4 h ALA 12 CO 0.02 -0.97 -1.85 1.63 0.00 0.00 0.00 179.25 178.09 2ds4 n LYS 13 N -3.78 0.70 -0.89 0.00 4.76 -1.16 -4.27 118.16 113.51 2ds4 n LYS 13 Ca 0.13 0.28 -0.35 0.00 -2.87 0.00 0.00 58.31 55.51 2ds4 n LYS 13 Cb 0.87 -1.76 0.08 0.00 -1.84 0.00 0.00 35.03 32.39 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 n VAL 15 N -3.11 0.00 -4.26 0.00 0.24 -1.16 -3.96 118.33 106.08 2ds4 n VAL 15 Ca 0.02 -2.12 -0.18 0.00 -2.04 0.00 0.00 64.34 60.03 2ds4 n VAL 15 Cb 0.56 1.18 -0.15 0.00 -1.47 0.00 0.00 33.84 33.96 2ds4 n VAL 15 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ds4 s LEU 16 N 0.00 1.93 0.40 1.34 1.43 -1.26 -2.86 118.68 119.66 2ds4 s LEU 16 Ca 0.35 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2ds4 s LEU 16 Cb 0.00 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 2ds4 s LEU 16 CO 0.25 0.07 0.13 -1.10 0.23 0.00 0.00 176.35 175.93 2ds4 s GLN 17 N -0.04 2.17 0.00 1.70 -0.21 0.89 -4.96 119.66 119.21 2ds4 s GLN 17 Ca 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.53 2ds4 s GLN 17 Cb -0.04 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.03 2ds4 s GLN 17 CO -0.00 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 2ds4 n GLY 18 N -1.16 3.68 3.80 3.09 0.00 -1.26 -3.12 105.19 110.23 2ds4 n GLY 18 Ca -0.02 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 2ds4 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ds4 s GLU 19 N -5.39 4.44 -1.33 1.61 0.41 -1.26 -3.96 118.70 113.23 2ds4 s GLU 19 Ca 0.00 1.22 -0.02 0.00 -0.41 0.00 0.00 54.97 55.75 2ds4 s GLU 19 Cb 0.00 -2.63 -0.00 0.00 -1.78 0.00 0.00 34.13 29.72 2ds4 s GLU 19 CO 0.00 0.20 0.59 -0.25 -0.49 0.00 0.00 175.26 175.31 2ds4 n ASP 20 N 0.22 -1.32 -0.17 -0.19 9.92 -1.26 -4.88 116.55 118.86 2ds4 n ASP 20 Ca 0.03 -0.92 -0.11 0.00 -0.53 0.00 0.00 54.79 53.26 2ds4 n ASP 20 Cb 0.51 -3.57 0.01 0.00 -0.64 0.00 0.00 41.12 37.43 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ds4 h LEU 21 N -1.84 1.04 -2.05 0.64 3.38 -1.95 -2.66 115.31 111.86 2ds4 h LEU 21 Ca -0.63 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 56.91 2ds4 h LEU 21 Cb 1.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2ds4 h LEU 21 CO 0.58 1.17 0.08 1.41 0.09 0.00 0.00 178.44 181.77 2ds4 n HIS 22 N -4.13 0.63 -3.69 1.13 8.25 -1.26 -4.72 115.22 111.42 2ds4 n HIS 22 Ca 0.01 -0.50 -0.17 0.00 -0.26 0.00 0.00 57.72 56.80 2ds4 n HIS 22 Cb 0.43 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.11 0.02 0.15 -0.41 6.06 -1.00 -2.89 118.95 119.77 2ds4 s ARG 23 Ca 0.13 0.46 -0.01 0.00 -2.50 0.00 0.00 55.73 53.81 2ds4 s ARG 23 Cb 0.11 -0.29 -0.04 0.00 0.06 0.00 0.00 34.95 34.78 2ds4 s ARG 23 CO 0.03 -0.27 0.07 0.00 -2.50 0.00 0.00 175.30 172.63 2ds4 s ALA 24 N 1.93 0.96 0.22 6.12 0.00 -0.71 -4.91 121.76 125.35 2ds4 s ALA 24 Ca -0.00 -1.53 0.11 0.00 0.00 0.00 0.00 51.96 50.54 2ds4 s ALA 24 Cb -0.12 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2ds4 s ALA 24 CO -0.05 -0.50 -0.19 0.50 0.00 0.00 0.00 175.76 175.51 2ds4 s ARG 25 N -4.07 1.69 0.14 0.00 3.52 -1.26 -1.75 118.95 117.23 2ds4 s ARG 25 Ca 0.27 -1.55 -0.31 0.00 -0.13 0.00 0.00 55.73 54.01 2ds4 s ARG 25 Cb 0.07 -1.89 -0.09 0.00 -1.56 0.00 0.00 34.95 31.49 2ds4 s ARG 25 CO 0.04 0.38 1.44 -2.00 -0.81 0.00 0.00 175.30 174.36 2ds4 s GLU 26 N -2.99 4.29 -1.53 5.12 2.12 0.57 -2.37 118.70 123.92 2ds4 s GLU 26 Ca 0.25 2.17 -0.00 0.00 0.36 0.00 0.00 54.97 57.74 2ds4 s GLU 26 Cb -0.07 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.11 2ds4 s GLU 26 CO 0.13 -0.48 0.01 1.63 -0.54 0.00 0.00 175.26 176.01 2ds4 n LYS 27 N 3.83 -1.48 -4.18 4.30 5.02 0.18 -4.44 118.16 121.39 2ds4 n LYS 27 Ca 0.12 0.87 -0.29 0.00 -2.02 0.00 0.00 58.31 56.98 2ds4 n LYS 27 Cb 0.41 -5.36 -0.09 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.91 2.35 -0.62 1.97 -0.44 -1.00 -4.97 119.66 112.05 2ds4 s GLN 28 Ca 0.00 -0.96 -0.18 0.00 -2.50 0.00 0.00 55.36 51.72 2ds4 s GLN 28 Cb -0.00 -2.41 0.12 0.00 -1.64 0.00 0.00 33.01 29.08 2ds4 s GLN 28 CO 0.01 0.51 0.69 0.99 0.50 0.00 0.00 175.29 177.98 2ds4 s THR 29 N -1.35 4.96 -0.23 -0.34 2.01 -1.26 -4.08 115.64 115.35 2ds4 s THR 29 Ca 0.24 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 2ds4 s THR 29 Cb -0.11 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2ds4 s THR 29 CO 0.17 -1.08 0.36 0.00 -0.69 0.00 0.00 174.62 173.37 2ds4 s ALA 30 N 2.26 3.57 0.02 7.40 0.00 -0.66 -4.92 121.76 129.43 2ds4 s ALA 30 Ca 0.11 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2ds4 s ALA 30 Cb -0.23 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2ds4 s ALA 30 CO 0.04 -0.39 -0.16 -1.12 0.00 0.00 0.00 175.76 174.13 2ds4 s SER 31 N 1.21 1.87 0.17 0.00 0.01 -1.26 -1.28 113.70 114.43 2ds4 s SER 31 Ca 0.16 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 2ds4 s SER 31 Cb -0.15 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 2ds4 s SER 31 CO 0.08 0.11 0.12 0.72 0.41 0.00 0.00 173.24 174.68 2ds4 s PHE 32 N -0.67 0.96 -0.14 2.43 -0.71 -1.04 -4.95 117.98 113.86 2ds4 s PHE 32 Ca 0.04 -1.26 -0.04 0.00 -1.04 0.00 0.00 56.93 54.63 2ds4 s PHE 32 Cb -0.07 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2ds4 s PHE 32 CO 0.01 -0.61 0.01 0.99 -1.34 0.00 0.00 175.22 174.28 2ds4 s THR 33 N -4.10 4.35 -0.37 -4.49 2.01 -1.18 -3.05 115.64 108.82 2ds4 s THR 33 Ca 0.31 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2ds4 s THR 33 Cb 0.07 -2.90 0.04 0.00 0.01 0.00 0.00 72.50 69.72 2ds4 s THR 33 CO 0.07 0.52 0.18 -0.22 -0.69 0.00 0.00 174.62 174.48 2ds4 s LEU 34 N -0.04 4.65 0.32 4.42 2.96 -1.08 -0.07 118.68 129.84 2ds4 s LEU 34 Ca 0.04 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.60 2ds4 s LEU 34 Cb -0.13 -1.96 -0.09 0.00 0.50 0.00 0.00 46.19 44.51 2ds4 s LEU 34 CO 0.02 -0.39 0.82 -0.76 -1.32 0.00 0.00 176.35 174.72 2ds4 s LEU 35 N 1.47 4.16 -0.08 -0.68 1.43 -1.14 -2.57 118.68 121.28 2ds4 s LEU 35 Ca 0.01 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 2ds4 s LEU 35 Cb -0.20 -4.05 -0.00 0.00 0.03 0.00 0.00 46.19 41.97 2ds4 s LEU 35 CO 0.04 -0.15 -0.23 0.00 0.23 0.00 0.00 176.35 176.24 2ds4 s LYS 37 N 0.25 1.89 0.63 0.00 3.01 -1.26 -3.96 119.74 120.29 2ds4 s LYS 37 Ca -0.14 -2.12 0.03 0.00 -1.01 0.00 0.00 55.97 52.73 2ds4 s LYS 37 Cb -0.17 -1.07 0.12 0.00 -1.01 0.00 0.00 37.83 35.70 2ds4 s LYS 37 CO 0.07 -0.28 0.86 -0.40 0.51 0.00 0.00 175.35 176.11 2ds4 n ASP 38 N -1.02 1.49 0.23 2.83 5.75 -0.68 -2.84 116.55 122.30 2ds4 n ASP 38 Ca -0.07 -2.18 0.17 0.00 -0.01 0.00 0.00 54.79 52.70 2ds4 n ASP 38 Cb 0.66 -0.53 0.86 0.00 -1.03 0.00 0.00 41.12 41.08 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ds4 h ALA 39 N -0.34 1.71 0.00 2.12 0.00 -1.90 0.27 119.26 121.12 2ds4 h ALA 39 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ds4 h ALA 39 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ds4 h ALA 39 CO 0.34 -0.27 -0.24 0.00 0.00 0.00 0.00 179.25 179.08 2ds4 h ALA 40 N 1.76 0.87 0.00 0.00 0.00 -1.93 -3.48 119.26 116.49 2ds4 h ALA 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ds4 h ALA 40 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 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 1.15 0.90 3.57 0.00 0.00 0.95 -5.09 105.19 106.68 2ds4 n GLY 41 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.22 2.05 0.21 1.61 -1.05 -1.26 -4.80 118.70 114.25 2ds4 s GLU 42 Ca 0.00 -1.40 -0.32 0.00 -0.15 0.00 0.00 54.97 53.10 2ds4 s GLU 42 Cb 0.00 -2.09 -0.13 0.00 -0.44 0.00 0.00 34.13 31.46 2ds4 s GLU 42 CO 0.00 0.40 1.50 -0.89 0.95 0.00 0.00 175.26 177.21 2ds4 n ILE 43 N -0.33 0.57 -0.07 1.83 2.08 -1.26 -1.69 119.36 120.48 2ds4 n ILE 43 Ca -0.09 -0.14 -0.07 0.00 0.56 0.00 0.00 62.75 63.02 2ds4 n ILE 43 Cb 0.57 -1.55 -0.10 0.00 -0.75 0.00 0.00 39.64 37.81 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 2.62 1.81 -3.12 0.38 0.00 -1.25 -4.74 117.12 112.82 2ds4 n MET 44 Ca 0.13 -0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.70 2ds4 n MET 44 Cb 0.31 -1.34 0.05 0.00 0.00 0.00 0.00 33.22 32.24 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 2.21 0.07 3.47 3.17 0.00 -1.26 -4.02 105.19 108.83 2ds4 n GLY 45 Ca -0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.69 1.84 0.00 1.61 1.81 -1.26 -4.70 118.95 112.55 2ds4 s ARG 46 Ca 0.32 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2ds4 s ARG 46 Cb -0.14 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 2ds4 s ARG 46 CO 0.43 -0.75 0.00 0.41 -0.68 0.00 0.00 175.30 174.71 2ds4 n GLY 47 N -0.54 2.49 3.83 -3.53 0.00 -1.26 -3.58 105.19 102.60 2ds4 n GLY 47 Ca 0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 3.58 -0.38 2.99 -0.02 0.00 -1.26 -4.97 105.19 105.12 2ds4 n GLY 48 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ds4 s ASP 49 N -3.86 2.50 -0.63 1.61 -4.77 -1.26 -5.01 116.67 105.25 2ds4 s ASP 49 Ca 0.32 -0.42 -0.26 0.00 -3.30 0.00 0.00 52.55 48.89 2ds4 s ASP 49 Cb -0.16 -1.06 -0.04 0.00 -1.09 0.00 0.00 42.92 40.56 2ds4 s ASP 49 CO 0.83 -0.07 2.05 0.20 0.70 0.00 0.00 175.17 178.88 2ds4 s ASN 50 N 1.51 4.95 -0.23 2.11 0.01 -1.26 -4.94 114.94 117.08 2ds4 s ASN 50 Ca 0.04 0.37 -0.11 0.00 -0.71 0.00 0.00 52.86 52.45 2ds4 s ASN 50 Cb -0.13 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 2ds4 s ASN 50 CO -0.09 -2.66 0.17 -0.69 -1.51 0.00 0.00 177.10 172.32 2ds4 s VAL 51 N 10.39 5.36 -0.20 1.60 1.01 -1.26 -1.37 120.40 135.94 2ds4 s VAL 51 Ca 0.77 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 2ds4 s VAL 51 Cb -0.13 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2ds4 s VAL 51 CO 0.18 0.36 -0.07 -1.10 0.00 0.00 0.00 175.10 174.47 2ds4 s GLN 52 N 0.92 3.36 -0.26 2.72 -1.52 -0.26 -5.03 119.66 119.60 2ds4 s GLN 52 Ca 0.08 -0.65 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 2ds4 s GLN 52 Cb -0.13 -2.90 0.04 0.00 -0.22 0.00 0.00 33.01 29.80 2ds4 s GLN 52 CO 0.03 -0.10 -0.08 0.08 -0.25 0.00 0.00 175.29 174.97 2ds4 s VAL 53 N 1.20 2.52 -0.07 1.09 1.01 -1.26 -2.80 120.40 122.10 2ds4 s VAL 53 Ca 0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 2ds4 s VAL 53 Cb -0.14 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.89 2ds4 s VAL 53 CO -0.02 0.08 0.01 0.00 0.00 0.00 0.00 175.10 175.17 2ds4 s ALA 54 N 1.22 0.62 -0.13 5.51 0.00 -0.86 -5.01 121.76 123.11 2ds4 s ALA 54 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 2ds4 s ALA 54 Cb -0.18 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2ds4 s ALA 54 CO -0.05 -0.47 -0.04 0.08 0.00 0.00 0.00 175.76 175.27 2ds4 s VAL 55 N 2.01 3.86 -0.03 0.00 1.01 -1.26 0.25 120.40 126.24 2ds4 s VAL 55 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2ds4 s VAL 55 Cb -0.12 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2ds4 s VAL 55 CO -0.05 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 174.92 2ds4 s VAL 56 N -0.02 -0.01 0.16 2.92 1.01 -1.03 -2.82 120.40 120.61 2ds4 s VAL 56 Ca 0.01 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 2ds4 s VAL 56 Cb -0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 2ds4 s VAL 56 CO 0.03 0.12 1.33 -2.16 0.00 0.00 0.00 175.10 174.41 2ds4 s PRO 57 N 1.27 4.37 0.61 2.72 0.04 -1.24 -0.91 135.00 141.86 2ds4 s PRO 57 Ca -0.06 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.32 2ds4 s PRO 57 Cb -0.13 -3.23 1.76 0.00 0.04 0.00 0.00 34.50 32.94 2ds4 s PRO 57 CO -0.03 -0.32 2.12 -0.22 0.04 0.00 0.00 177.00 178.59 2ds4 h LYS 58 N 6.00 0.00 0.09 4.56 1.63 -1.14 -2.16 116.57 125.54 2ds4 h LYS 58 Ca -0.44 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2ds4 h LYS 58 CO 0.81 0.00 -0.04 -0.44 -3.45 0.00 0.00 179.45 176.33 2ds4 h ASP 59 N 0.00 -0.10 -3.52 4.20 5.19 -1.91 -3.45 116.42 116.84 2ds4 h ASP 59 Ca 0.06 -0.50 -0.67 0.00 -0.62 0.00 0.00 57.03 55.31 2ds4 h ASP 59 Cb 0.45 0.03 -0.25 0.00 0.18 0.00 0.00 39.33 39.73 2ds4 h ASP 59 CO -0.00 0.53 -0.75 -0.54 -3.12 0.00 0.00 179.24 175.36 2ds4 s LYS 60 N -3.26 3.15 -0.01 3.56 -0.14 -0.81 -4.99 119.74 117.24 2ds4 s LYS 60 Ca -0.14 -0.66 0.13 0.00 -1.36 0.00 0.00 55.97 53.95 2ds4 s LYS 60 Cb -0.00 -2.60 -0.17 0.00 -1.68 0.00 0.00 37.83 33.38 2ds4 s LYS 60 CO 0.54 0.36 0.44 1.17 -0.76 0.00 0.00 175.35 177.10 2ds4 n LYS 61 N 3.11 1.67 -0.01 1.68 4.81 -1.26 -3.61 118.16 124.55 2ds4 n LYS 61 Ca -0.18 -0.06 -0.04 0.00 -0.87 0.00 0.00 58.31 57.16 2ds4 n LYS 61 Cb 0.53 -1.21 -0.12 0.00 0.02 0.00 0.00 35.03 34.25 2ds4 n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2ds4 n ASP 62 N -1.60 0.75 -4.54 3.14 8.00 -1.26 -4.80 116.55 116.24 2ds4 n ASP 62 Ca 0.00 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.42 2ds4 n ASP 62 Cb 0.27 0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ds4 s SER 63 N -5.84 6.32 1.22 -2.24 0.01 -1.26 -5.06 113.70 106.85 2ds4 s SER 63 Ca -0.05 -0.19 -0.19 0.00 1.31 0.00 0.00 55.95 56.84 2ds4 s SER 63 Cb 0.08 -2.29 0.27 0.00 0.21 0.00 0.00 66.02 64.30 2ds4 s SER 63 CO 0.82 -0.61 0.98 -0.81 0.41 0.00 0.00 173.24 174.04 2ds4 n PRO 64 N 5.94 -2.94 -3.91 12.44 -0.04 -1.26 -4.56 135.00 140.68 2ds4 n PRO 64 Ca -0.04 -1.57 -0.27 0.00 -0.04 0.00 0.00 63.50 61.58 2ds4 n PRO 64 Cb 0.48 -1.47 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.78 1.04 0.08 0.52 1.01 -1.13 -4.93 120.40 114.21 2ds4 s VAL 65 Ca 0.64 -0.33 -0.35 0.00 0.00 0.00 0.00 61.98 61.94 2ds4 s VAL 65 Cb -0.06 -1.08 -0.15 0.00 0.00 0.00 0.00 36.38 35.09 2ds4 s VAL 65 CO 0.49 0.34 1.55 0.54 0.00 0.00 0.00 175.10 178.02 2ds4 n ARG 66 N 4.93 1.77 -4.15 2.72 5.12 -1.26 -4.60 116.66 121.19 2ds4 n ARG 66 Ca -0.12 0.64 -0.10 0.00 -1.93 0.00 0.00 57.85 56.34 2ds4 n ARG 66 Cb 0.50 -2.37 -0.10 0.00 -1.16 0.00 0.00 32.46 29.33 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 1.34 0.35 -0.04 0.55 -4.23 -1.26 -3.28 115.64 109.06 2ds4 s THR 67 Ca 0.84 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2ds4 s THR 67 Cb -0.80 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2ds4 s THR 67 CO 0.44 -0.71 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.43 2ds4 s MET 68 N -3.94 1.01 -0.24 3.99 1.75 0.80 -5.00 119.30 117.66 2ds4 s MET 68 Ca 0.17 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.43 2ds4 s MET 68 Cb 0.07 -0.94 0.06 0.00 2.84 0.00 0.00 34.83 36.85 2ds4 s MET 68 CO -0.03 -0.03 -0.10 0.54 -0.65 0.00 0.00 175.02 174.75 2ds4 s VAL 69 N 0.75 1.97 -0.63 10.11 0.11 -1.26 -1.48 120.40 129.97 2ds4 s VAL 69 Ca -0.11 -1.44 -0.15 0.00 -2.93 0.00 0.00 61.98 57.34 2ds4 s VAL 69 Cb -0.14 -2.09 0.16 0.00 -1.53 0.00 0.00 36.38 32.78 2ds4 s VAL 69 CO 0.01 0.01 0.58 -1.58 -3.33 0.00 0.00 175.10 170.79 2ds4 s GLN 70 N 1.21 3.17 -0.05 1.54 0.74 -0.57 -5.03 119.66 120.66 2ds4 s GLN 70 Ca -0.07 -1.95 -0.30 0.00 0.05 0.00 0.00 55.36 53.10 2ds4 s GLN 70 Cb -0.19 -4.33 -0.06 0.00 1.10 0.00 0.00 33.01 29.53 2ds4 s GLN 70 CO -0.06 -1.31 1.76 0.34 -0.55 0.00 0.00 175.29 175.46 2ds4 s ASP 71 N 3.12 6.54 -0.22 6.67 -1.08 -1.26 -3.22 116.67 127.22 2ds4 s ASP 71 Ca 0.08 2.29 0.00 0.00 -0.52 0.00 0.00 52.55 54.40 2ds4 s ASP 71 Cb -0.24 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.55 2ds4 s ASP 71 CO -0.01 -1.03 -0.20 0.59 0.52 0.00 0.00 175.17 175.04 2ds4 n ASN 72 N 7.52 2.24 -3.32 -0.34 3.02 -1.26 -5.01 115.26 118.11 2ds4 n ASN 72 Ca 0.19 -0.07 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 2ds4 n ASN 72 Cb 0.43 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.24 -6.11 -0.16 3.52 4.76 -1.26 -4.87 118.16 110.80 2ds4 n LYS 73 Ca -0.39 0.84 0.06 0.00 -2.87 0.00 0.00 58.31 55.95 2ds4 n LYS 73 Cb 0.90 -5.78 0.08 0.00 -1.84 0.00 0.00 35.03 28.38 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 -2.73 1.58 0.00 4.39 8.00 -1.26 -4.52 116.55 122.01 2ds4 n ASP 74 Ca -0.05 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.90 2ds4 n ASP 74 Cb 0.59 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.87 2.37 3.18 0.44 0.00 -1.23 -4.73 105.19 104.35 2ds4 n GLY 75 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.21 0.04 0.14 2.61 -4.23 -1.26 -3.25 115.64 107.48 2ds4 s THR 76 Ca 0.00 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 2ds4 s THR 76 Cb 0.00 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2ds4 s THR 76 CO 0.00 -0.17 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.46 2ds4 s TYR 77 N -4.12 1.43 -0.33 3.99 1.51 -1.06 -4.05 117.35 114.73 2ds4 s TYR 77 Ca 0.33 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2ds4 s TYR 77 Cb 0.07 -0.73 0.08 0.00 -0.11 0.00 0.00 41.96 41.27 2ds4 s TYR 77 CO 0.08 0.17 0.04 -0.47 -1.11 0.00 0.00 175.55 174.26 2ds4 s TYR 78 N -2.45 3.52 0.09 2.71 5.04 -1.20 -2.65 117.35 122.41 2ds4 s TYR 78 Ca 0.12 -2.50 0.03 0.00 -2.44 0.00 0.00 57.07 52.28 2ds4 s TYR 78 Cb -0.03 -2.60 -0.04 0.00 0.35 0.00 0.00 41.96 39.64 2ds4 s TYR 78 CO 0.03 -0.91 0.09 0.42 -1.34 0.00 0.00 175.55 173.84 2ds4 s ILE 79 N 1.07 4.54 -0.12 3.14 1.01 -1.17 -1.51 121.20 128.15 2ds4 s ILE 79 Ca 0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 2ds4 s ILE 79 Cb -0.20 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.11 2ds4 s ILE 79 CO -0.05 0.11 0.32 -0.55 0.00 0.00 0.00 174.94 174.77 2ds4 s SER 80 N -2.45 -0.35 0.01 3.58 0.15 -0.55 -2.49 113.70 111.60 2ds4 s SER 80 Ca 0.29 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.61 2ds4 s SER 80 Cb -0.12 0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 2ds4 s SER 80 CO 0.22 -0.13 -0.02 -0.72 1.20 0.00 0.00 173.24 173.79 2ds4 s TYR 81 N 0.40 0.21 -0.30 3.44 1.13 -0.40 -0.14 117.35 121.69 2ds4 s TYR 81 Ca -0.02 -0.18 -0.00 0.00 -1.41 0.00 0.00 57.07 55.46 2ds4 s TYR 81 Cb -0.04 -0.14 0.10 0.00 -1.10 0.00 0.00 41.96 40.78 2ds4 s TYR 81 CO -0.02 -0.05 0.08 0.99 -2.51 0.00 0.00 175.55 174.04 2ds4 s THR 82 N -0.48 1.01 0.51 -3.49 2.01 -1.21 -1.65 115.64 112.35 2ds4 s THR 82 Ca -0.04 -1.42 -0.21 0.00 0.31 0.00 0.00 61.69 60.33 2ds4 s THR 82 Cb -0.04 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.68 2ds4 s THR 82 CO -0.00 -0.61 1.14 -2.16 -0.69 0.00 0.00 174.62 172.30 2ds4 s PRO 83 N 1.56 3.54 -0.21 4.92 0.04 -1.26 -4.60 135.00 138.99 2ds4 s PRO 83 Ca 0.08 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 2ds4 s PRO 83 Cb -0.17 -2.18 -0.19 0.00 0.04 0.00 0.00 34.50 31.99 2ds4 s PRO 83 CO -0.22 -0.71 0.07 1.63 0.04 0.00 0.00 177.00 177.82 2ds4 n LYS 84 N -0.94 0.64 -4.42 4.56 5.02 -1.26 -0.65 118.16 121.12 2ds4 n LYS 84 Ca 0.10 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 2ds4 n LYS 84 Cb 0.50 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ds4 s GLU 85 N -2.47 1.60 0.72 1.97 2.02 -1.26 -4.45 118.70 116.83 2ds4 s GLU 85 Ca -0.30 -1.25 -0.12 0.00 0.02 0.00 0.00 54.97 53.31 2ds4 s GLU 85 Cb 0.08 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.35 2ds4 s GLU 85 CO 0.62 0.47 1.10 -1.25 0.02 0.00 0.00 175.26 176.22 2ds4 s PRO 86 N -1.98 2.49 0.00 0.39 0.04 -1.26 -4.94 135.00 129.74 2ds4 s PRO 86 Ca 0.15 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2ds4 s PRO 86 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ds4 s PRO 86 CO 0.07 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2ds4 n GLY 87 N -0.91 0.96 3.72 0.56 0.00 0.44 -4.96 105.19 105.00 2ds4 n GLY 87 Ca 0.10 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.26 4.92 0.38 1.61 0.11 -1.26 -0.31 120.40 124.58 2ds4 s VAL 88 Ca 0.00 1.66 0.08 0.00 -2.93 0.00 0.00 61.98 60.79 2ds4 s VAL 88 Cb 0.00 -4.14 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2ds4 s VAL 88 CO 0.00 0.26 0.01 -0.31 -3.33 0.00 0.00 175.10 171.72 2ds4 s TYR 89 N 0.63 2.51 -0.31 1.54 1.51 0.74 -0.54 117.35 123.43 2ds4 s TYR 89 Ca 0.42 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2ds4 s TYR 89 Cb -0.19 -1.65 0.09 0.00 -0.11 0.00 0.00 41.96 40.10 2ds4 s TYR 89 CO 0.22 0.45 0.06 0.99 -1.11 0.00 0.00 175.55 176.16 2ds4 s THR 90 N -2.64 1.44 -0.79 -0.71 2.01 -0.09 -0.64 115.64 114.22 2ds4 s THR 90 Ca 0.35 -1.68 -0.26 0.00 0.31 0.00 0.00 61.69 60.42 2ds4 s THR 90 Cb 0.05 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.59 2ds4 s THR 90 CO 0.18 -0.56 1.29 -0.69 -0.69 0.00 0.00 174.62 174.16 2ds4 s VAL 91 N 1.35 3.82 -0.67 3.82 1.01 -0.55 -2.46 120.40 126.72 2ds4 s VAL 91 Ca 0.08 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 2ds4 s VAL 91 Cb -0.18 -4.93 0.02 0.00 0.00 0.00 0.00 36.38 31.29 2ds4 s VAL 91 CO -0.16 -1.84 1.41 0.26 0.00 0.00 0.00 175.10 174.76 2ds4 s TRP 92 N 5.41 2.19 -0.35 5.22 0.52 0.14 -3.34 118.94 128.74 2ds4 s TRP 92 Ca 0.36 0.24 -0.02 0.00 0.02 0.00 0.00 56.10 56.71 2ds4 s TRP 92 Cb -0.07 -4.48 0.08 0.00 -1.15 0.00 0.00 33.47 27.85 2ds4 s TRP 92 CO 0.09 -2.06 0.09 0.08 0.02 0.00 0.00 176.95 175.17 2ds4 s VAL 93 N 6.34 3.03 0.02 4.03 1.01 -1.26 -2.03 120.40 131.55 2ds4 s VAL 93 Ca 0.45 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.69 2ds4 s VAL 93 Cb -0.09 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ds4 s VAL 93 CO 0.19 -0.40 -0.08 0.00 0.00 0.00 0.00 175.10 174.81 2ds4 s ILE 95 N -0.78 1.67 -1.08 0.00 1.01 0.92 -1.10 121.20 121.85 2ds4 s ILE 95 Ca -0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 2ds4 s ILE 95 Cb -0.06 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2ds4 s ILE 95 CO 0.00 0.47 0.93 0.29 0.00 0.00 0.00 174.94 176.63 2ds4 n LYS 96 N 4.18 -6.21 -3.51 2.79 4.76 -0.47 -2.76 118.16 116.94 2ds4 n LYS 96 Ca -0.19 0.70 -0.21 0.00 -2.87 0.00 0.00 58.31 55.74 2ds4 n LYS 96 Cb 0.51 -5.31 0.08 0.00 -1.84 0.00 0.00 35.03 28.48 2ds4 n LYS 96 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ds4 n GLU 97 N -4.00 -7.28 -3.68 1.97 1.02 -1.26 -5.01 120.64 102.40 2ds4 n GLU 97 Ca -0.09 0.83 -0.10 0.00 -0.02 0.00 0.00 57.16 57.78 2ds4 n GLU 97 Cb 0.59 -5.83 -0.10 0.00 -0.02 0.00 0.00 31.44 26.08 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 -5.87 0.50 -0.52 3.49 -0.21 -1.11 -5.11 119.66 110.83 2ds4 s GLN 98 Ca 0.32 0.87 -0.28 0.00 0.02 0.00 0.00 55.36 56.29 2ds4 s GLN 98 Cb -0.14 0.07 -0.00 0.00 1.00 0.00 0.00 33.01 33.94 2ds4 s GLN 98 CO 0.72 -0.14 1.62 -3.38 -2.12 0.00 0.00 175.29 171.99 2ds4 s HIS 99 N 1.23 2.01 0.97 0.91 -3.43 -1.26 -0.05 115.29 115.67 2ds4 s HIS 99 Ca -0.08 0.60 -0.12 0.00 -0.80 0.00 0.00 55.06 54.66 2ds4 s HIS 99 Cb -0.07 -4.25 0.19 0.00 -1.43 0.00 0.00 32.58 27.03 2ds4 s HIS 99 CO -0.12 -2.28 0.43 1.33 -2.00 0.00 0.00 174.74 172.10 2ds4 n VAL 100 N 7.08 0.00 -2.16 -5.38 0.24 -1.17 -4.69 118.33 112.26 2ds4 n VAL 100 Ca 0.17 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.09 2ds4 n VAL 100 Cb 0.49 -0.49 -0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 -3.50 3.68 -1.39 7.34 0.74 -1.13 -3.36 119.66 122.04 2ds4 s GLN 101 Ca 0.33 1.89 -0.04 0.00 0.05 0.00 0.00 55.36 57.59 2ds4 s GLN 101 Cb -0.06 -2.42 0.03 0.00 1.10 0.00 0.00 33.01 31.66 2ds4 s GLN 101 CO 0.28 -0.65 0.76 0.41 -0.55 0.00 0.00 175.29 175.53 2ds4 n GLY 102 N 0.53 -0.34 3.52 2.59 0.00 -1.26 -4.83 105.19 105.39 2ds4 n GLY 102 Ca 0.07 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.05 -0.52 0.85 1.61 0.01 -1.21 -4.44 113.70 105.95 2ds4 s SER 103 Ca 0.20 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.76 2ds4 s SER 103 Cb -0.10 0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.69 2ds4 s SER 103 CO 0.83 -0.59 1.09 -2.16 0.41 0.00 0.00 173.24 172.82 2ds4 s PRO 104 N -1.86 1.63 0.06 12.44 0.04 -1.26 -4.61 135.00 141.44 2ds4 s PRO 104 Ca -0.04 0.95 0.04 0.00 0.04 0.00 0.00 61.00 61.99 2ds4 s PRO 104 Cb -0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2ds4 s PRO 104 CO 0.01 -2.02 -0.13 -0.59 0.04 0.00 0.00 177.00 174.32 2ds4 s PHE 105 N -2.92 1.07 0.53 0.56 -0.12 -1.21 -5.00 117.98 110.89 2ds4 s PHE 105 Ca 0.63 -0.47 -0.07 0.00 -0.05 0.00 0.00 56.93 56.97 2ds4 s PHE 105 Cb -0.18 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 2ds4 s PHE 105 CO 0.57 0.02 0.87 0.95 -0.05 0.00 0.00 175.22 177.57 2ds4 s THR 106 N -1.30 4.69 -0.04 -4.49 -4.23 -1.26 -1.49 115.64 107.54 2ds4 s THR 106 Ca -0.04 0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 2ds4 s THR 106 Cb -0.10 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.95 2ds4 s THR 106 CO 0.02 -0.88 0.02 -0.69 -0.54 0.00 0.00 174.62 172.55 2ds4 s VAL 107 N -2.89 0.09 -0.55 2.29 1.01 0.19 -4.69 120.40 115.85 2ds4 s VAL 107 Ca 0.50 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 2ds4 s VAL 107 Cb -0.10 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2ds4 s VAL 107 CO 0.47 0.16 0.86 -0.89 0.00 0.00 0.00 175.10 175.70 2ds4 s THR 108 N 1.44 4.52 -0.11 3.92 2.01 -1.14 -0.18 115.64 126.09 2ds4 s THR 108 Ca -0.04 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 2ds4 s THR 108 Cb -0.13 -4.48 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 2ds4 s THR 108 CO -0.03 -1.05 0.29 -0.69 -0.69 0.00 0.00 174.62 172.45 2ds4 s VAL 109 N 3.59 5.28 0.39 3.82 1.01 0.57 -1.74 120.40 133.31 2ds4 s VAL 109 Ca 0.26 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.86 2ds4 s VAL 109 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2ds4 s VAL 109 CO 0.17 0.48 0.28 -0.13 0.00 0.00 0.00 175.10 175.90 2ds4 s ARG 110 N -0.20 2.49 0.88 2.72 1.81 -0.72 -0.42 118.95 125.51 2ds4 s ARG 110 Ca 0.18 -1.54 -0.12 0.00 -1.72 0.00 0.00 55.73 52.53 2ds4 s ARG 110 Cb -0.14 -2.29 0.12 0.00 -0.45 0.00 0.00 34.95 32.19 2ds4 s ARG 110 CO 0.06 -0.07 1.12 -0.98 -0.68 0.00 0.00 175.30 174.76 2ds4 s ARG 111 N -4.01 1.37 0.62 3.54 3.03 -1.26 0.21 118.95 122.46 2ds4 s ARG 111 Ca 0.43 0.40 0.08 0.00 2.03 0.00 0.00 55.73 58.67 2ds4 s ARG 111 Cb -0.02 -1.86 0.10 0.00 -1.03 0.00 0.00 34.95 32.14 2ds4 s ARG 111 CO 0.26 -2.06 0.86 -1.59 -1.13 0.00 0.00 175.30 171.63 2ds4 s LYS 112 N -5.23 2.11 0.00 3.89 0.00 -1.26 -4.28 119.74 114.97 2ds4 s LYS 112 Ca 0.63 -1.59 0.00 0.00 0.00 0.00 0.00 55.97 55.01 2ds4 s LYS 112 Cb -0.15 -2.57 0.00 0.00 0.00 0.00 0.00 37.83 35.11 2ds4 s LYS 112 CO 0.54 -1.05 0.06 0.72 0.00 0.00 0.00 175.35 175.62