#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 6.65 -0.92 1.61 0.01 -1.26 -4.93 113.70 114.87 2ds4 s SER 2 Ca 0.00 -1.92 -0.16 0.00 1.31 0.00 0.00 55.95 55.19 2ds4 s SER 2 Cb 0.00 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.87 2ds4 s SER 2 CO 0.00 -1.31 0.98 -0.55 0.41 0.00 0.00 173.24 172.78 2ds4 s SER 3 N 4.46 6.77 -0.72 2.44 0.15 -1.26 -4.89 113.70 120.65 2ds4 s SER 3 Ca 0.47 -2.51 0.01 0.00 0.70 0.00 0.00 55.95 54.61 2ds4 s SER 3 Cb 0.00 -2.30 0.37 0.00 -1.71 0.00 0.00 66.02 62.39 2ds4 s SER 3 CO -0.04 -0.76 1.67 0.61 1.20 0.00 0.00 173.24 175.92 2ds4 n GLY 4 N 4.51 5.73 3.64 9.45 0.00 -1.26 -5.04 105.19 122.22 2ds4 n GLY 4 Ca 0.20 -2.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 2ds4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 5 N -2.00 2.52 0.19 1.61 0.15 -1.26 -4.87 113.70 110.04 2ds4 s SER 5 Ca 0.50 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 58.50 2ds4 s SER 5 Cb 0.40 -2.16 0.22 0.00 -1.71 0.00 0.00 66.02 62.78 2ds4 s SER 5 CO -0.31 -3.23 1.22 -0.24 1.20 0.00 0.00 173.24 171.87 2ds4 n SER 6 N -4.27 -0.47 0.00 5.45 2.88 -1.26 -4.79 113.62 111.16 2ds4 n SER 6 Ca 0.06 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 2ds4 n SER 6 Cb 0.55 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.39 1.88 3.30 0.46 0.00 -1.26 -5.05 105.19 103.13 2ds4 n GLY 7 Ca 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.74 -3.60 1.61 0.28 -1.26 -5.14 120.64 113.26 2ds4 n GLU 8 Ca 0.00 -2.62 -0.37 0.00 -0.16 0.00 0.00 57.16 54.01 2ds4 n GLU 8 Cb 0.00 2.61 -0.06 0.00 1.43 0.00 0.00 31.44 35.42 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 -2.71 5.15 -0.06 3.84 0.11 -1.26 -3.84 120.40 121.63 2ds4 s VAL 9 Ca 0.26 0.61 0.06 0.00 -2.93 0.00 0.00 61.98 59.98 2ds4 s VAL 9 Cb -0.01 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2ds4 s VAL 9 CO 0.19 0.53 -0.24 -0.62 -3.33 0.00 0.00 175.10 171.63 2ds4 s ASP 10 N -1.22 2.96 -0.02 3.54 2.15 -0.97 -4.89 116.67 118.22 2ds4 s ASP 10 Ca 0.24 -0.50 -0.26 0.00 0.43 0.00 0.00 52.55 52.46 2ds4 s ASP 10 Cb -0.15 -0.88 -0.20 0.00 -0.30 0.00 0.00 42.92 41.39 2ds4 s ASP 10 CO 0.12 0.22 1.24 1.55 -0.17 0.00 0.00 175.17 178.14 2ds4 h PRO 11 N 6.17 -0.04 -0.91 4.34 0.13 -1.87 -2.47 132.00 137.35 2ds4 h PRO 11 Ca -0.30 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.09 2ds4 h PRO 11 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2ds4 h PRO 11 CO 0.47 0.43 0.78 0.00 -0.23 0.00 0.00 178.00 179.45 2ds4 h ALA 12 N 0.41 2.77 0.00 -0.56 0.00 -1.91 0.72 119.26 120.70 2ds4 h ALA 12 Ca -0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2ds4 h ALA 12 Cb 0.49 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2ds4 h ALA 12 CO 0.01 -1.25 -1.50 0.87 0.00 0.00 0.00 179.25 177.38 2ds4 h LYS 13 N 0.00 0.00 -6.75 0.00 1.79 -1.85 -3.35 116.57 106.41 2ds4 h LYS 13 Ca 0.43 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.40 2ds4 h LYS 13 Cb 1.98 0.00 0.22 0.00 -1.58 0.00 0.00 32.23 32.86 2ds4 h LYS 13 CO -0.00 0.49 -0.77 0.00 -1.08 0.00 0.00 179.45 178.08 2ds4 n VAL 15 N -3.97 0.00 -4.22 0.00 0.24 -1.14 -4.13 118.33 105.12 2ds4 n VAL 15 Ca 0.04 -1.66 -0.14 0.00 -2.04 0.00 0.00 64.34 60.54 2ds4 n VAL 15 Cb 0.57 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.86 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 2.47 -0.03 1.34 1.43 -1.26 -2.45 118.68 120.17 2ds4 s LEU 16 Ca 0.27 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2ds4 s LEU 16 Cb -0.01 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.89 2ds4 s LEU 16 CO 0.19 -0.29 -0.05 -1.10 0.23 0.00 0.00 176.35 175.34 2ds4 s GLN 17 N -3.25 0.74 0.00 1.70 -0.21 0.76 -4.93 119.66 114.47 2ds4 s GLN 17 Ca 0.11 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2ds4 s GLN 17 Cb -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.26 2ds4 s GLN 17 CO 0.00 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2ds4 n GLY 18 N 3.76 4.36 3.79 3.09 0.00 -1.26 -1.68 105.19 117.26 2ds4 n GLY 18 Ca -0.23 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 2ds4 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 19 N -2.69 4.43 -1.15 1.61 1.03 -1.26 -3.97 118.70 116.69 2ds4 s GLU 19 Ca 0.00 1.03 -0.06 0.00 0.03 0.00 0.00 54.97 55.97 2ds4 s GLU 19 Cb 0.00 -3.08 0.01 0.00 -0.80 0.00 0.00 34.13 30.25 2ds4 s GLU 19 CO 0.00 0.49 0.99 -0.25 -1.33 0.00 0.00 175.26 175.16 2ds4 n ASP 20 N 1.20 -4.82 0.10 0.83 8.00 -1.26 -4.91 116.55 115.70 2ds4 n ASP 20 Ca -0.04 -0.49 -0.02 0.00 0.71 0.00 0.00 54.79 54.95 2ds4 n ASP 20 Cb 0.50 -4.48 0.23 0.00 -0.02 0.00 0.00 41.12 37.34 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ds4 h LEU 21 N -2.18 0.21 -2.50 0.64 3.38 -1.99 -2.64 115.31 110.23 2ds4 h LEU 21 Ca -0.50 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 2ds4 h LEU 21 Cb 1.32 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2ds4 h LEU 21 CO 0.47 0.62 0.12 1.41 0.09 0.00 0.00 178.44 181.16 2ds4 n HIS 22 N -4.01 1.17 -3.62 1.13 8.25 -1.26 -4.83 115.22 112.05 2ds4 n HIS 22 Ca -0.02 -0.66 -0.16 0.00 -0.26 0.00 0.00 57.72 56.63 2ds4 n HIS 22 Cb 0.49 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.72 0.86 0.19 -0.41 3.52 -1.00 -1.93 118.95 118.46 2ds4 s ARG 23 Ca 0.26 0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 56.04 2ds4 s ARG 23 Cb 0.21 0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 34.00 2ds4 s ARG 23 CO 0.07 -0.22 0.37 0.00 -0.81 0.00 0.00 175.30 174.70 2ds4 s ALA 24 N -0.82 -0.16 -0.09 6.12 0.00 0.26 -4.81 121.76 122.26 2ds4 s ALA 24 Ca -0.09 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2ds4 s ALA 24 Cb -0.02 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2ds4 s ALA 24 CO 0.06 -0.73 -0.19 0.50 0.00 0.00 0.00 175.76 175.40 2ds4 s ARG 25 N -3.98 2.93 0.15 0.00 3.52 -1.26 -2.02 118.95 118.29 2ds4 s ARG 25 Ca 0.18 -0.80 -0.33 0.00 -0.13 0.00 0.00 55.73 54.66 2ds4 s ARG 25 Cb 0.02 -2.38 -0.17 0.00 -1.56 0.00 0.00 34.95 30.86 2ds4 s ARG 25 CO 0.03 0.32 1.00 -1.91 -0.81 0.00 0.00 175.30 173.92 2ds4 n GLU 26 N 3.17 0.72 -3.81 5.12 2.13 0.25 -0.69 120.64 127.52 2ds4 n GLU 26 Ca -0.18 0.25 -0.28 0.00 0.66 0.00 0.00 57.16 57.62 2ds4 n GLU 26 Cb 0.52 -1.64 0.04 0.00 0.27 0.00 0.00 31.44 30.64 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ds4 n LYS 27 N 1.47 -6.17 -4.36 5.31 5.02 -0.23 -4.23 118.16 114.97 2ds4 n LYS 27 Ca 0.16 0.67 -0.27 0.00 -2.02 0.00 0.00 58.31 56.84 2ds4 n LYS 27 Cb 0.22 -5.58 -0.13 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 -6.48 1.31 -0.47 1.97 0.74 0.13 -5.00 119.66 111.87 2ds4 s GLN 28 Ca 0.59 -1.29 -0.18 0.00 0.05 0.00 0.00 55.36 54.53 2ds4 s GLN 28 Cb -0.29 -1.72 0.05 0.00 1.10 0.00 0.00 33.01 32.15 2ds4 s GLN 28 CO 0.80 0.40 0.51 0.99 -0.55 0.00 0.00 175.29 177.45 2ds4 s THR 29 N -1.12 5.03 -0.26 -0.34 2.01 -1.26 -3.97 115.64 115.73 2ds4 s THR 29 Ca 0.12 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2ds4 s THR 29 Cb -0.10 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2ds4 s THR 29 CO 0.06 -0.64 0.06 0.00 -0.69 0.00 0.00 174.62 173.40 2ds4 s ALA 30 N 2.22 3.09 0.04 7.40 0.00 -0.58 -4.97 121.76 128.96 2ds4 s ALA 30 Ca 0.11 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.91 2ds4 s ALA 30 Cb -0.20 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2ds4 s ALA 30 CO 0.11 -0.61 -0.20 -1.54 0.00 0.00 0.00 175.76 173.51 2ds4 s SER 31 N 1.57 2.42 0.06 0.00 1.04 -1.26 -1.86 113.70 115.67 2ds4 s SER 31 Ca 0.05 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 2ds4 s SER 31 Cb -0.16 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 2ds4 s SER 31 CO 0.02 0.16 0.00 0.72 0.98 0.00 0.00 173.24 175.13 2ds4 s PHE 32 N -0.78 0.52 -0.12 5.02 -0.71 -1.04 -4.93 117.98 115.93 2ds4 s PHE 32 Ca 0.07 -1.04 -0.05 0.00 -1.04 0.00 0.00 56.93 54.87 2ds4 s PHE 32 Cb -0.09 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 2ds4 s PHE 32 CO 0.02 -0.41 0.08 0.99 -1.34 0.00 0.00 175.22 174.55 2ds4 s THR 33 N -3.93 4.96 -0.34 -4.49 2.01 -0.67 -3.08 115.64 110.10 2ds4 s THR 33 Ca 0.09 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 2ds4 s THR 33 Cb 0.08 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.49 2ds4 s THR 33 CO -0.09 0.58 0.09 -0.22 -0.69 0.00 0.00 174.62 174.29 2ds4 s LEU 34 N -0.67 4.40 0.33 4.42 2.96 -1.16 -0.17 118.68 128.80 2ds4 s LEU 34 Ca 0.12 -1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 52.37 2ds4 s LEU 34 Cb -0.12 -1.81 -0.10 0.00 0.50 0.00 0.00 46.19 44.67 2ds4 s LEU 34 CO 0.02 -0.36 0.96 -0.76 -1.32 0.00 0.00 176.35 174.89 2ds4 s LEU 35 N 1.29 4.31 -0.20 -0.68 1.43 -1.03 -2.66 118.68 121.15 2ds4 s LEU 35 Ca -0.01 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 2ds4 s LEU 35 Cb -0.21 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 41.97 2ds4 s LEU 35 CO -0.00 -0.12 -0.10 0.00 0.23 0.00 0.00 176.35 176.36 2ds4 s LYS 37 N 1.31 1.89 0.88 0.00 3.01 -1.26 -3.75 119.74 121.82 2ds4 s LYS 37 Ca 0.04 -1.95 -0.09 0.00 -1.01 0.00 0.00 55.97 52.96 2ds4 s LYS 37 Cb -0.14 -1.73 0.19 0.00 -1.01 0.00 0.00 37.83 35.14 2ds4 s LYS 37 CO -0.06 0.09 1.21 0.16 0.51 0.00 0.00 175.35 177.26 2ds4 s ASP 38 N -3.65 3.43 0.24 2.83 -4.77 -0.41 -2.29 116.67 112.04 2ds4 s ASP 38 Ca 0.34 -0.16 0.15 0.00 -3.30 0.00 0.00 52.55 49.58 2ds4 s ASP 38 Cb 0.04 0.07 0.83 0.00 -1.09 0.00 0.00 42.92 42.77 2ds4 s ASP 38 CO 0.17 -2.50 1.45 0.00 0.70 0.00 0.00 175.17 174.99 2ds4 n ALA 39 N -3.42 0.97 0.07 2.11 0.00 -1.25 -0.25 120.51 118.74 2ds4 n ALA 39 Ca 0.17 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.83 2ds4 n ALA 39 Cb 0.60 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.68 2.33 -0.22 0.00 0.00 -1.26 -4.97 120.51 114.71 2ds4 n ALA 40 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2ds4 n ALA 40 Cb 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.26 1.09 3.54 0.00 0.00 0.65 -5.10 105.19 106.63 2ds4 n GLY 41 Ca -0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.65 1.92 0.29 1.61 -1.05 -1.26 -4.83 118.70 114.72 2ds4 s GLU 42 Ca 0.00 -1.63 -0.30 0.00 -0.15 0.00 0.00 54.97 52.89 2ds4 s GLU 42 Cb 0.00 -1.92 -0.11 0.00 -0.44 0.00 0.00 34.13 31.65 2ds4 s GLU 42 CO 0.00 0.34 1.60 0.42 0.95 0.00 0.00 175.26 178.57 2ds4 s ILE 43 N -2.43 2.07 -0.16 1.83 -1.09 -1.26 -1.29 121.20 118.86 2ds4 s ILE 43 Ca 0.30 0.06 0.17 0.00 -2.23 0.00 0.00 60.65 58.95 2ds4 s ILE 43 Cb -0.06 -3.04 -0.25 0.00 -1.58 0.00 0.00 42.46 37.54 2ds4 s ILE 43 CO 0.17 0.01 0.12 1.15 -1.23 0.00 0.00 174.94 175.16 2ds4 n MET 44 N 2.27 0.88 -3.36 2.79 0.00 -1.25 -4.84 117.12 113.61 2ds4 n MET 44 Ca 0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 57.70 57.56 2ds4 n MET 44 Cb 0.37 -1.48 0.06 0.00 0.00 0.00 0.00 33.22 32.17 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 1.76 -0.22 3.27 3.17 0.00 -1.26 -5.02 105.19 106.90 2ds4 n GLY 45 Ca -0.26 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.03 0.49 0.00 1.61 1.81 -1.26 -4.85 118.95 110.72 2ds4 s ARG 46 Ca 0.46 0.40 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 2ds4 s ARG 46 Cb -0.20 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 2ds4 s ARG 46 CO 0.57 -0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.52 2ds4 n GLY 47 N 2.57 2.49 1.10 -3.53 0.00 -1.22 -4.19 105.19 102.40 2ds4 n GLY 47 Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 5.00 0.62 3.44 -0.02 0.00 -1.26 -4.99 105.19 107.97 2ds4 n GLY 48 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 2.47 -0.51 1.61 1.01 -1.26 -5.11 116.67 111.99 2ds4 s ASP 49 Ca 0.00 -1.31 -0.10 0.00 0.71 0.00 0.00 52.55 51.84 2ds4 s ASP 49 Cb 0.00 -0.11 0.13 0.00 1.01 0.00 0.00 42.92 43.95 2ds4 s ASP 49 CO 0.00 -0.52 0.40 0.20 0.21 0.00 0.00 175.17 175.46 2ds4 s ASN 50 N -3.47 5.83 0.08 0.27 0.01 -1.26 -5.05 114.94 111.36 2ds4 s ASN 50 Ca 0.34 -1.97 -0.07 0.00 -0.71 0.00 0.00 52.86 50.44 2ds4 s ASN 50 Cb 0.07 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 2ds4 s ASN 50 CO 0.14 -0.71 0.36 -0.69 -1.51 0.00 0.00 177.10 174.69 2ds4 s VAL 51 N 1.28 5.17 -0.03 1.60 1.01 -1.26 -1.41 120.40 126.77 2ds4 s VAL 51 Ca 0.06 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2ds4 s VAL 51 Cb -0.26 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2ds4 s VAL 51 CO -0.01 0.23 -0.09 -1.10 0.00 0.00 0.00 175.10 174.13 2ds4 s GLN 52 N -2.10 0.98 -0.12 2.72 -0.21 -0.21 -4.99 119.66 115.72 2ds4 s GLN 52 Ca 0.34 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.38 2ds4 s GLN 52 Cb -0.13 -0.91 0.05 0.00 1.00 0.00 0.00 33.01 33.01 2ds4 s GLN 52 CO 0.20 0.11 0.06 0.08 -2.12 0.00 0.00 175.29 173.62 2ds4 s VAL 53 N 0.20 0.07 -0.10 1.09 1.01 -1.24 -2.75 120.40 118.68 2ds4 s VAL 53 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2ds4 s VAL 53 Cb -0.09 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2ds4 s VAL 53 CO 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.14 2ds4 s ALA 54 N 2.08 0.33 -0.26 5.51 0.00 -0.67 -4.97 121.76 123.77 2ds4 s ALA 54 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 2ds4 s ALA 54 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2ds4 s ALA 54 CO -0.06 -0.83 0.15 0.08 0.00 0.00 0.00 175.76 175.10 2ds4 s VAL 55 N 2.15 5.03 -0.09 0.00 1.01 -1.26 -0.68 120.40 126.57 2ds4 s VAL 55 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2ds4 s VAL 55 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2ds4 s VAL 55 CO -0.06 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.55 2ds4 s VAL 56 N 1.53 1.07 0.08 2.92 1.01 -1.05 -3.55 120.40 122.41 2ds4 s VAL 56 Ca 0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2ds4 s VAL 56 Cb -0.15 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 2ds4 s VAL 56 CO 0.07 0.36 1.39 -2.16 0.00 0.00 0.00 175.10 174.76 2ds4 s PRO 57 N 1.19 4.31 0.52 2.72 0.04 -1.25 -1.56 135.00 140.97 2ds4 s PRO 57 Ca -0.05 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.22 2ds4 s PRO 57 Cb -0.14 -3.36 1.30 0.00 0.04 0.00 0.00 34.50 32.33 2ds4 s PRO 57 CO -0.03 -0.47 2.07 -0.22 0.04 0.00 0.00 177.00 178.39 2ds4 h LYS 58 N 7.16 0.04 0.55 4.56 3.64 -1.74 -2.63 116.57 128.15 2ds4 h LYS 58 Ca -0.41 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2ds4 h LYS 58 Cb 1.20 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2ds4 h LYS 58 CO 0.87 0.03 -0.27 0.22 -2.27 0.00 0.00 179.45 178.03 2ds4 h ASP 59 N 0.04 -0.63 -3.48 4.20 3.58 -1.91 -3.43 116.42 114.79 2ds4 h ASP 59 Ca 0.12 -0.04 -0.66 0.00 0.42 0.00 0.00 57.03 56.87 2ds4 h ASP 59 Cb 0.44 0.16 -0.22 0.00 1.72 0.00 0.00 39.33 41.43 2ds4 h ASP 59 CO -0.01 -0.31 -0.71 -0.54 -2.88 0.00 0.00 179.24 174.80 2ds4 s LYS 60 N -5.14 3.22 0.09 0.28 -0.14 -0.99 -5.00 119.74 112.06 2ds4 s LYS 60 Ca -0.15 -0.58 0.11 0.00 -1.36 0.00 0.00 55.97 53.98 2ds4 s LYS 60 Cb 0.02 -2.70 -0.16 0.00 -1.68 0.00 0.00 37.83 33.31 2ds4 s LYS 60 CO 0.53 0.40 1.08 1.57 -0.76 0.00 0.00 175.35 178.17 2ds4 h LYS 61 N 6.14 0.00 0.00 1.68 2.10 -1.84 -3.34 116.57 121.30 2ds4 h LYS 61 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2ds4 h LYS 61 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2ds4 h LYS 61 CO 0.57 0.69 -0.12 -0.44 -2.00 0.00 0.00 179.45 178.14 2ds4 h ASP 62 N 0.00 0.00 0.00 7.07 3.32 -1.94 -3.45 116.42 121.41 2ds4 h ASP 62 Ca -0.11 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.67 2ds4 h ASP 62 Cb 1.75 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.24 2ds4 h ASP 62 CO 0.09 0.28 1.18 -1.20 -1.72 0.00 0.00 179.24 177.88 2ds4 n SER 63 N -3.26 -0.27 -3.13 6.45 7.64 -1.26 -4.84 113.62 114.95 2ds4 n SER 63 Ca -0.02 -0.07 -0.18 0.00 1.01 0.00 0.00 58.87 59.61 2ds4 n SER 63 Cb 0.06 -0.48 0.15 0.00 -1.01 0.00 0.00 64.21 62.93 2ds4 n SER 63 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ds4 n PRO 64 N 4.59 -2.31 -3.89 1.43 -0.04 -1.26 -4.42 135.00 129.10 2ds4 n PRO 64 Ca 0.42 -1.05 -0.19 0.00 -0.04 0.00 0.00 63.50 62.64 2ds4 n PRO 64 Cb 0.05 -0.98 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.18 0.25 0.04 0.52 1.01 -1.23 -4.93 120.40 113.88 2ds4 s VAL 65 Ca 0.42 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2ds4 s VAL 65 Cb -0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.88 2ds4 s VAL 65 CO 0.33 0.19 1.93 -0.13 0.00 0.00 0.00 175.10 177.42 2ds4 s ARG 66 N 1.40 4.14 0.12 2.72 0.52 -1.26 -4.73 118.95 121.87 2ds4 s ARG 66 Ca -0.04 2.58 0.06 0.00 -0.52 0.00 0.00 55.73 57.81 2ds4 s ARG 66 Cb -0.13 -4.08 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 2ds4 s ARG 66 CO -0.03 -0.93 -0.14 0.95 0.02 0.00 0.00 175.30 175.18 2ds4 s THR 67 N 4.21 1.30 -0.21 0.02 -4.23 -1.26 -2.83 115.64 112.64 2ds4 s THR 67 Ca 0.86 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2ds4 s THR 67 Cb -0.42 -1.54 0.08 0.00 1.34 0.00 0.00 72.50 71.95 2ds4 s THR 67 CO 0.40 -0.45 0.14 -0.04 -0.54 0.00 0.00 174.62 174.13 2ds4 s MET 68 N -2.75 0.13 -0.23 3.99 -1.94 0.55 -5.00 119.30 114.04 2ds4 s MET 68 Ca 0.09 -0.13 -0.11 0.00 -1.71 0.00 0.00 55.69 53.83 2ds4 s MET 68 Cb -0.04 -1.48 -0.05 0.00 2.01 0.00 0.00 34.83 35.27 2ds4 s MET 68 CO 0.03 -0.77 0.20 0.08 -0.01 0.00 0.00 175.02 174.55 2ds4 s VAL 69 N 2.18 5.33 -0.44 -6.03 1.01 -1.26 -1.67 120.40 119.53 2ds4 s VAL 69 Ca 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2ds4 s VAL 69 Cb -0.16 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.80 2ds4 s VAL 69 CO -0.17 0.33 0.26 -1.58 0.00 0.00 0.00 175.10 173.94 2ds4 s GLN 70 N 1.11 2.20 0.18 2.72 0.74 -0.41 -5.04 119.66 121.16 2ds4 s GLN 70 Ca 0.09 -1.80 -0.30 0.00 0.05 0.00 0.00 55.36 53.40 2ds4 s GLN 70 Cb -0.14 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.16 2ds4 s GLN 70 CO 0.05 -1.13 1.38 0.16 -0.55 0.00 0.00 175.29 175.21 2ds4 s ASP 71 N 2.18 6.80 0.00 6.67 1.47 -1.26 -3.19 116.67 129.34 2ds4 s ASP 71 Ca 0.07 2.45 0.00 0.00 1.18 0.00 0.00 52.55 56.26 2ds4 s ASP 71 Cb -0.24 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.73 2ds4 s ASP 71 CO -0.03 -0.62 0.00 0.59 0.68 0.00 0.00 175.17 175.79 2ds4 n ASN 72 N 3.03 3.62 -4.14 2.11 3.02 -1.26 -5.01 115.26 116.63 2ds4 n ASN 72 Ca 0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.29 2ds4 n ASN 72 Cb 0.42 0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.55 -3.78 -0.97 3.52 4.01 -1.26 -4.84 118.16 113.29 2ds4 n LYS 73 Ca 0.00 0.43 0.02 0.00 -0.51 0.00 0.00 58.31 58.25 2ds4 n LYS 73 Cb 0.33 -5.18 0.15 0.00 -0.51 0.00 0.00 35.03 29.82 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2ds4 n ASP 74 N -2.71 1.92 0.00 4.39 5.75 -1.26 -3.45 116.55 121.19 2ds4 n ASP 74 Ca 0.06 -3.50 0.00 0.00 -0.01 0.00 0.00 54.79 51.34 2ds4 n ASP 74 Cb 0.51 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ds4 n GLY 75 N -0.77 2.97 3.19 6.12 0.00 -1.26 -4.83 105.19 110.62 2ds4 n GLY 75 Ca 0.19 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.90 0.97 0.26 2.61 -4.23 -1.26 -2.84 115.64 109.24 2ds4 s THR 76 Ca 0.00 -1.78 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 2ds4 s THR 76 Cb 0.00 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 2ds4 s THR 76 CO 0.00 -0.64 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.05 2ds4 s TYR 77 N -2.81 2.56 -0.31 3.99 1.51 -1.09 -4.33 117.35 116.87 2ds4 s TYR 77 Ca 0.09 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2ds4 s TYR 77 Cb -0.01 -1.14 0.09 0.00 -0.11 0.00 0.00 41.96 40.79 2ds4 s TYR 77 CO -0.00 0.64 0.00 -0.47 -1.11 0.00 0.00 175.55 174.61 2ds4 s TYR 78 N -2.30 3.52 -0.03 2.71 5.04 -1.19 -3.01 117.35 122.08 2ds4 s TYR 78 Ca 0.30 -2.74 -0.01 0.00 -2.44 0.00 0.00 57.07 52.19 2ds4 s TYR 78 Cb -0.06 -2.57 -0.04 0.00 0.35 0.00 0.00 41.96 39.64 2ds4 s TYR 78 CO 0.18 -0.92 0.04 0.42 -1.34 0.00 0.00 175.55 173.93 2ds4 s ILE 79 N 0.99 4.51 -0.03 3.14 1.01 -1.18 -1.29 121.20 128.36 2ds4 s ILE 79 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2ds4 s ILE 79 Cb -0.19 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2ds4 s ILE 79 CO -0.08 0.43 0.08 -0.44 0.00 0.00 0.00 174.94 174.93 2ds4 s SER 80 N -1.46 -0.07 -0.05 3.58 0.01 -0.67 -2.51 113.70 112.53 2ds4 s SER 80 Ca 0.19 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.53 2ds4 s SER 80 Cb -0.12 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.27 2ds4 s SER 80 CO 0.10 -0.05 0.21 -0.72 0.41 0.00 0.00 173.24 173.19 2ds4 s TYR 81 N 0.25 -0.16 -0.20 2.43 -0.85 -0.78 -0.33 117.35 117.72 2ds4 s TYR 81 Ca -0.02 0.35 -0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2ds4 s TYR 81 Cb -0.03 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.42 2ds4 s TYR 81 CO -0.01 -0.21 0.04 0.99 -1.52 0.00 0.00 175.55 174.84 2ds4 s THR 82 N -0.52 0.53 0.48 -3.49 2.01 -1.13 -1.53 115.64 111.99 2ds4 s THR 82 Ca -0.06 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 2ds4 s THR 82 Cb -0.04 -1.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 2ds4 s THR 82 CO 0.01 -0.24 1.16 -2.16 -0.69 0.00 0.00 174.62 172.70 2ds4 s PRO 83 N 1.85 3.68 -0.22 4.92 0.04 -1.25 -4.35 135.00 139.66 2ds4 s PRO 83 Ca -0.00 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 2ds4 s PRO 83 Cb -0.17 -2.32 -0.19 0.00 0.04 0.00 0.00 34.50 31.85 2ds4 s PRO 83 CO -0.09 -0.61 -0.05 1.63 0.04 0.00 0.00 177.00 177.92 2ds4 n LYS 84 N -0.65 0.67 -4.41 4.56 5.02 -1.26 -1.07 118.16 121.02 2ds4 n LYS 84 Ca 0.08 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.30 2ds4 n LYS 84 Cb 0.49 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.52 1.48 1.05 1.97 2.02 -1.26 -4.48 118.70 116.96 2ds4 s GLU 85 Ca -0.31 -1.44 -0.14 0.00 0.02 0.00 0.00 54.97 53.10 2ds4 s GLU 85 Cb 0.09 -1.88 0.22 0.00 0.10 0.00 0.00 34.13 32.65 2ds4 s GLU 85 CO 0.64 0.42 1.10 -1.25 0.02 0.00 0.00 175.26 176.19 2ds4 s PRO 86 N -2.41 -0.02 0.00 0.39 0.04 -1.26 -4.92 135.00 126.81 2ds4 s PRO 86 Ca 0.18 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2ds4 s PRO 86 Cb -0.09 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2ds4 s PRO 86 CO 0.08 -3.00 0.00 0.41 0.04 0.00 0.00 177.00 174.53 2ds4 n GLY 87 N -1.05 0.51 3.82 0.56 0.00 -1.06 -4.96 105.19 103.02 2ds4 n GLY 87 Ca 0.07 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.49 4.96 0.26 1.61 0.11 -1.26 0.00 120.40 125.59 2ds4 s VAL 88 Ca 0.00 0.94 0.04 0.00 -2.93 0.00 0.00 61.98 60.03 2ds4 s VAL 88 Cb 0.00 -3.77 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 2ds4 s VAL 88 CO 0.00 0.56 -0.00 -0.31 -3.33 0.00 0.00 175.10 172.02 2ds4 s TYR 89 N -0.97 1.71 -0.25 1.54 1.51 -0.25 -2.03 117.35 118.61 2ds4 s TYR 89 Ca 0.25 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 2ds4 s TYR 89 Cb -0.17 -1.01 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 2ds4 s TYR 89 CO 0.15 0.02 -0.01 0.99 -1.11 0.00 0.00 175.55 175.59 2ds4 s THR 90 N -3.33 1.39 -0.42 -0.71 2.01 -0.60 -0.13 115.64 113.86 2ds4 s THR 90 Ca 0.30 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.75 2ds4 s THR 90 Cb 0.06 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.83 2ds4 s THR 90 CO 0.11 -0.23 1.09 -0.69 -0.69 0.00 0.00 174.62 174.20 2ds4 s VAL 91 N 1.44 4.35 -0.50 3.82 1.01 -0.83 -2.51 120.40 127.16 2ds4 s VAL 91 Ca -0.02 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 2ds4 s VAL 91 Cb -0.18 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.73 2ds4 s VAL 91 CO -0.09 -0.80 0.69 0.26 0.00 0.00 0.00 175.10 175.16 2ds4 s TRP 92 N 4.08 3.00 -0.27 5.22 0.52 0.15 -3.01 118.94 128.63 2ds4 s TRP 92 Ca 0.46 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.25 2ds4 s TRP 92 Cb -0.09 -3.60 0.07 0.00 -1.15 0.00 0.00 33.47 28.69 2ds4 s TRP 92 CO 0.25 -1.07 -0.05 0.08 0.02 0.00 0.00 176.95 176.18 2ds4 s VAL 93 N 2.91 2.01 0.12 4.03 1.01 -1.26 -1.68 120.40 127.54 2ds4 s VAL 93 Ca 0.19 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.51 2ds4 s VAL 93 Cb -0.17 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2ds4 s VAL 93 CO 0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 175.10 174.95 2ds4 s ILE 95 N -3.08 1.10 -1.17 0.00 1.01 0.11 -1.05 121.20 118.12 2ds4 s ILE 95 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 2ds4 s ILE 95 Cb 0.01 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.36 2ds4 s ILE 95 CO -0.01 0.34 1.01 0.29 0.00 0.00 0.00 174.94 176.57 2ds4 n LYS 96 N 4.92 -6.75 -3.37 2.79 5.02 -0.50 -2.57 118.16 117.70 2ds4 n LYS 96 Ca -0.13 0.76 -0.19 0.00 -2.02 0.00 0.00 58.31 56.73 2ds4 n LYS 96 Cb 0.50 -5.56 0.07 0.00 -0.02 0.00 0.00 35.03 30.01 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 -4.29 -6.45 -3.72 1.97 -0.58 -1.26 -5.01 120.64 101.30 2ds4 n GLU 97 Ca -0.10 0.70 -0.12 0.00 -0.42 0.00 0.00 57.16 57.22 2ds4 n GLU 97 Cb 0.59 -5.33 -0.12 0.00 -0.57 0.00 0.00 31.44 26.02 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 -5.90 0.29 0.16 3.49 -0.21 -1.06 -5.14 119.66 111.29 2ds4 s GLN 98 Ca 0.39 0.61 -0.30 0.00 0.02 0.00 0.00 55.36 56.08 2ds4 s GLN 98 Cb -0.17 -0.06 -0.07 0.00 1.00 0.00 0.00 33.01 33.71 2ds4 s GLN 98 CO 0.61 -0.15 1.11 -3.38 -2.12 0.00 0.00 175.29 171.37 2ds4 s HIS 99 N 1.20 3.56 0.63 0.91 -3.43 -1.26 0.08 115.29 116.98 2ds4 s HIS 99 Ca -0.08 1.56 -0.02 0.00 -0.80 0.00 0.00 55.06 55.71 2ds4 s HIS 99 Cb -0.09 -3.30 0.06 0.00 -1.43 0.00 0.00 32.58 27.82 2ds4 s HIS 99 CO -0.09 -0.71 0.89 0.14 -2.00 0.00 0.00 174.74 172.97 2ds4 s VAL 100 N -0.04 2.46 0.65 -5.38 -7.23 -1.22 -4.23 120.40 105.41 2ds4 s VAL 100 Ca 0.51 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 2ds4 s VAL 100 Cb -0.29 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2ds4 s VAL 100 CO 0.34 0.00 0.70 1.67 -0.31 0.00 0.00 175.10 177.50 2ds4 n GLN 101 N -2.62 0.53 -3.77 4.82 0.00 -1.23 -1.82 117.38 113.29 2ds4 n GLN 101 Ca 0.09 0.22 -0.28 0.00 -0.00 0.00 0.00 57.00 57.03 2ds4 n GLN 101 Cb 0.60 -1.93 -0.04 0.00 0.00 0.00 0.00 30.24 28.87 2ds4 n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ds4 n GLY 102 N 1.53 -0.45 3.39 1.69 0.00 -1.26 -4.89 105.19 105.20 2ds4 n GLY 102 Ca 0.12 0.07 -0.14 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 -2.85 -0.50 1.04 1.61 0.15 -0.76 -4.27 113.70 108.12 2ds4 s SER 103 Ca 0.54 0.92 -0.13 0.00 0.70 0.00 0.00 55.95 57.97 2ds4 s SER 103 Cb -0.30 0.94 0.21 0.00 -1.71 0.00 0.00 66.02 65.16 2ds4 s SER 103 CO 0.66 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.81 2ds4 s PRO 104 N 0.06 0.06 0.23 5.44 0.04 -1.26 -4.14 135.00 135.44 2ds4 s PRO 104 Ca -0.02 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.43 2ds4 s PRO 104 Cb -0.03 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2ds4 s PRO 104 CO 0.02 -2.95 0.14 -0.59 0.04 0.00 0.00 177.00 173.65 2ds4 s PHE 105 N -2.97 1.34 0.15 0.56 -0.12 -1.16 -5.01 117.98 110.77 2ds4 s PHE 105 Ca 0.66 -1.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.22 2ds4 s PHE 105 Cb -0.17 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.50 2ds4 s PHE 105 CO 0.58 -0.57 0.27 0.99 -0.05 0.00 0.00 175.22 176.43 2ds4 s THR 106 N -3.95 5.24 0.02 -4.49 2.01 -1.26 -1.97 115.64 111.24 2ds4 s THR 106 Ca 0.39 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2ds4 s THR 106 Cb 0.07 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2ds4 s THR 106 CO 0.14 -0.10 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 2ds4 s VAL 107 N -1.75 0.63 -0.38 3.82 1.01 0.82 -4.50 120.40 120.05 2ds4 s VAL 107 Ca 0.34 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2ds4 s VAL 107 Cb -0.11 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2ds4 s VAL 107 CO 0.28 -0.08 0.18 -0.89 0.00 0.00 0.00 175.10 174.58 2ds4 s THR 108 N -0.74 3.82 0.12 3.92 2.01 -0.81 -1.09 115.64 122.87 2ds4 s THR 108 Ca -0.02 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 2ds4 s THR 108 Cb -0.06 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2ds4 s THR 108 CO 0.00 -0.39 0.49 -0.69 -0.69 0.00 0.00 174.62 173.34 2ds4 s VAL 109 N 1.36 4.96 0.21 3.82 1.01 0.10 -0.58 120.40 131.28 2ds4 s VAL 109 Ca 0.02 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2ds4 s VAL 109 Cb -0.21 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2ds4 s VAL 109 CO 0.01 0.24 0.07 -2.11 0.00 0.00 0.00 175.10 173.31 2ds4 n ARG 110 N 0.77 0.77 -3.57 2.72 -4.01 -0.86 -2.56 116.66 109.92 2ds4 n ARG 110 Ca -0.06 -1.76 -0.36 0.00 -1.04 0.00 0.00 57.85 54.64 2ds4 n ARG 110 Cb 0.52 0.94 -0.06 0.00 -3.04 0.00 0.00 32.46 30.83 2ds4 n ARG 110 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2ds4 s ARG 111 N -2.79 3.79 0.49 2.89 0.52 -1.26 0.84 118.95 123.42 2ds4 s ARG 111 Ca 0.10 0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.49 2ds4 s ARG 111 Cb 0.01 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 2ds4 s ARG 111 CO 0.07 0.61 0.80 0.21 0.02 0.00 0.00 175.30 177.01 2ds4 s LYS 112 N -1.60 3.48 0.00 3.54 2.20 -1.26 -4.69 119.74 121.41 2ds4 s LYS 112 Ca 0.29 0.18 0.11 0.00 -0.36 0.00 0.00 55.97 56.19 2ds4 s LYS 112 Cb -0.15 -2.36 0.63 0.00 -1.51 0.00 0.00 37.83 34.44 2ds4 s LYS 112 CO 0.16 -0.25 1.07 1.58 -0.36 0.00 0.00 175.35 177.55