#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 -2.42 -4.16 1.61 3.41 -1.26 -5.00 113.62 105.80 2ds4 n SER 2 Ca 0.00 0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 59.22 2ds4 n SER 2 Cb 0.00 -0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 62.86 2ds4 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ds4 s SER 3 N -1.06 1.16 -0.63 4.04 0.01 -1.26 -5.10 113.70 110.87 2ds4 s SER 3 Ca 0.62 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2ds4 s SER 3 Cb -0.50 0.08 0.24 0.00 0.21 0.00 0.00 66.02 66.04 2ds4 s SER 3 CO 0.61 -0.41 0.68 0.61 0.41 0.00 0.00 173.24 175.14 2ds4 n GLY 4 N 0.18 4.48 3.96 3.44 0.00 -1.26 -5.08 105.19 110.91 2ds4 n GLY 4 Ca -0.14 -2.62 -0.27 0.00 0.00 0.00 0.00 46.02 43.00 2ds4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ds4 s SER 5 N -2.16 3.80 0.00 1.61 1.04 -1.26 -5.01 113.70 111.71 2ds4 s SER 5 Ca 0.37 -0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 2ds4 s SER 5 Cb 0.12 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2ds4 s SER 5 CO -0.05 -2.26 -0.06 -0.24 0.98 0.00 0.00 173.24 171.61 2ds4 n SER 6 N -3.27 0.74 0.00 7.02 2.88 -1.26 -5.11 113.62 114.61 2ds4 n SER 6 Ca 0.15 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2ds4 n SER 6 Cb 0.60 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 2.83 -1.13 2.27 0.46 0.00 -1.26 -5.14 105.19 103.23 2ds4 n GLY 7 Ca -0.02 0.40 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.63 0.58 -3.51 1.61 -0.00 -1.26 -5.11 120.64 112.31 2ds4 n GLU 8 Ca 0.00 -2.34 -0.38 0.00 -0.00 0.00 0.00 57.16 54.44 2ds4 n GLU 8 Cb 0.00 1.45 -0.06 0.00 -0.00 0.00 0.00 31.44 32.83 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ds4 s VAL 9 N -2.69 5.10 -0.10 3.84 0.11 -1.26 -3.69 120.40 121.71 2ds4 s VAL 9 Ca 0.18 0.79 0.03 0.00 -2.93 0.00 0.00 61.98 60.04 2ds4 s VAL 9 Cb 0.01 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2ds4 s VAL 9 CO 0.13 0.55 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.63 2ds4 s ASP 10 N -0.81 3.50 0.22 3.54 -1.08 -0.87 -4.89 116.67 116.27 2ds4 s ASP 10 Ca 0.23 -0.44 -0.02 0.00 -0.52 0.00 0.00 52.55 51.80 2ds4 s ASP 10 Cb -0.16 -1.33 0.19 0.00 -1.46 0.00 0.00 42.92 40.16 2ds4 s ASP 10 CO 0.12 0.19 1.58 1.55 0.52 0.00 0.00 175.17 179.13 2ds4 h PRO 11 N 6.47 0.57 0.00 4.34 0.13 -1.87 -2.22 132.00 139.42 2ds4 h PRO 11 Ca -0.26 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2ds4 h PRO 11 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ds4 h PRO 11 CO 0.50 0.89 0.00 0.00 -0.23 0.00 0.00 178.00 179.16 2ds4 h ALA 12 N 1.07 1.00 0.00 -0.56 0.00 -1.90 -2.06 119.26 116.81 2ds4 h ALA 12 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 2ds4 h ALA 12 Cb 0.93 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2ds4 h ALA 12 CO 0.08 0.00 -2.26 1.63 0.00 0.00 0.00 179.25 178.70 2ds4 n LYS 13 N -2.87 0.68 -1.24 0.00 4.76 -1.07 -4.50 118.16 113.92 2ds4 n LYS 13 Ca -0.01 -0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.06 2ds4 n LYS 13 Cb 0.13 -1.54 0.10 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.96 0.07 0.06 0.00 -7.23 -1.18 -3.93 120.40 106.24 2ds4 s VAL 15 Ca 0.72 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.08 2ds4 s VAL 15 Cb -0.32 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2ds4 s VAL 15 CO 0.52 -0.32 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.07 2ds4 s LEU 16 N -3.07 2.75 0.03 1.32 1.43 -1.26 -1.85 118.68 118.03 2ds4 s LEU 16 Ca 0.27 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2ds4 s LEU 16 Cb 0.07 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2ds4 s LEU 16 CO 0.04 0.23 0.04 -1.10 0.23 0.00 0.00 176.35 175.80 2ds4 s GLN 17 N -1.72 2.87 0.00 1.70 -1.52 0.10 -4.98 119.66 116.11 2ds4 s GLN 17 Ca 0.17 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2ds4 s GLN 17 Cb -0.11 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.95 2ds4 s GLN 17 CO 0.08 0.61 0.00 0.41 -0.25 0.00 0.00 175.29 176.14 2ds4 n GLY 18 N 1.01 4.18 0.59 3.09 0.00 -1.26 -3.66 105.19 109.14 2ds4 n GLY 18 Ca -0.12 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 2ds4 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ds4 n GLU 19 N -1.81 0.27 -1.54 1.61 1.02 -1.26 -4.70 120.64 114.23 2ds4 n GLU 19 Ca 0.00 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.97 2ds4 n GLU 19 Cb 0.00 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2ds4 n GLU 19 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ds4 n ASP 20 N -3.71 6.64 0.07 1.62 5.75 -1.26 -4.50 116.55 121.17 2ds4 n ASP 20 Ca -0.20 -3.30 -0.21 0.00 -0.01 0.00 0.00 54.79 51.06 2ds4 n ASP 20 Cb 0.55 -1.20 -0.15 0.00 -1.03 0.00 0.00 41.12 39.29 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 3.74 0.57 -1.16 -2.12 3.38 -1.94 -3.26 115.31 114.51 2ds4 h LEU 21 Ca 0.42 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2ds4 h LEU 21 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2ds4 h LEU 21 CO 0.97 1.49 0.00 0.45 0.09 0.00 0.00 178.44 181.43 2ds4 h HIS 22 N -0.23 0.00 -4.08 1.13 3.86 -1.83 -3.43 115.15 110.56 2ds4 h HIS 22 Ca -0.18 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.34 2ds4 h HIS 22 Cb 1.79 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 30.02 2ds4 h HIS 22 CO 0.18 0.00 -0.81 1.03 0.86 0.00 0.00 177.93 179.18 2ds4 s ARG 23 N -3.52 2.13 0.15 2.45 0.52 -1.23 -1.95 118.95 117.49 2ds4 s ARG 23 Ca 0.02 -0.93 -0.08 0.00 -0.52 0.00 0.00 55.73 54.22 2ds4 s ARG 23 Cb 0.09 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 2ds4 s ARG 23 CO 0.48 0.56 0.24 0.00 0.02 0.00 0.00 175.30 176.59 2ds4 s ALA 24 N -0.84 0.11 0.09 2.13 0.00 0.24 -4.83 121.76 118.66 2ds4 s ALA 24 Ca 0.13 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.24 2ds4 s ALA 24 Cb -0.10 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2ds4 s ALA 24 CO 0.03 -0.61 -0.26 0.50 0.00 0.00 0.00 175.76 175.43 2ds4 s ARG 25 N -3.97 1.52 0.17 0.00 3.52 -1.26 -0.84 118.95 118.09 2ds4 s ARG 25 Ca 0.17 -1.22 -0.34 0.00 -0.13 0.00 0.00 55.73 54.22 2ds4 s ARG 25 Cb 0.04 -1.86 -0.14 0.00 -1.56 0.00 0.00 34.95 31.43 2ds4 s ARG 25 CO -0.01 0.46 1.50 -1.91 -0.81 0.00 0.00 175.30 174.53 2ds4 n GLU 26 N 1.31 1.99 -3.69 5.12 4.07 -0.62 -1.80 120.64 127.02 2ds4 n GLU 26 Ca -0.18 0.72 -0.23 0.00 -0.06 0.00 0.00 57.16 57.41 2ds4 n GLU 26 Cb 0.53 -2.44 0.04 0.00 -0.06 0.00 0.00 31.44 29.51 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ds4 n LYS 27 N 2.95 -5.54 -5.05 5.31 5.02 -0.03 -4.63 118.16 116.19 2ds4 n LYS 27 Ca 0.16 0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 56.82 2ds4 n LYS 27 Cb 0.28 -5.40 -0.15 0.00 -0.02 0.00 0.00 35.03 29.74 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 -6.03 1.86 -0.69 1.97 0.74 -0.74 -4.97 119.66 111.79 2ds4 s GLN 28 Ca 0.18 -0.97 -0.21 0.00 0.05 0.00 0.00 55.36 54.41 2ds4 s GLN 28 Cb -0.09 -1.90 0.09 0.00 1.10 0.00 0.00 33.01 32.22 2ds4 s GLN 28 CO 0.80 0.51 0.93 0.99 -0.55 0.00 0.00 175.29 177.96 2ds4 s THR 29 N -0.68 4.53 -0.32 -0.34 2.01 -1.26 -3.98 115.64 115.60 2ds4 s THR 29 Ca 0.10 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 2ds4 s THR 29 Cb -0.10 -4.65 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 2ds4 s THR 29 CO 0.00 -1.38 0.21 0.00 -0.69 0.00 0.00 174.62 172.76 2ds4 s ALA 30 N 3.45 3.45 0.13 7.40 0.00 -0.43 -4.93 121.76 130.84 2ds4 s ALA 30 Ca 0.21 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.94 2ds4 s ALA 30 Cb -0.17 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2ds4 s ALA 30 CO 0.06 -0.85 -0.19 -1.54 0.00 0.00 0.00 175.76 173.24 2ds4 s SER 31 N 1.71 2.54 0.19 0.00 1.04 -1.26 -1.51 113.70 116.40 2ds4 s SER 31 Ca 0.06 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 2ds4 s SER 31 Cb -0.17 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 2ds4 s SER 31 CO 0.10 0.01 0.25 0.72 0.98 0.00 0.00 173.24 175.30 2ds4 s PHE 32 N -1.55 0.66 -0.22 5.02 -0.71 -0.85 -4.96 117.98 115.36 2ds4 s PHE 32 Ca 0.10 -0.98 -0.06 0.00 -1.04 0.00 0.00 56.93 54.95 2ds4 s PHE 32 Cb -0.08 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.51 2ds4 s PHE 32 CO 0.05 -0.73 0.01 0.99 -1.34 0.00 0.00 175.22 174.20 2ds4 s THR 33 N -4.04 3.93 -0.39 -4.49 2.01 -1.24 -2.54 115.64 108.88 2ds4 s THR 33 Ca 0.25 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 2ds4 s THR 33 Cb 0.04 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.75 2ds4 s THR 33 CO 0.05 0.39 0.43 -0.22 -0.69 0.00 0.00 174.62 174.59 2ds4 s LEU 34 N 1.37 4.64 0.20 4.42 2.96 -1.03 -0.72 118.68 130.52 2ds4 s LEU 34 Ca 0.05 -0.43 -0.26 0.00 -0.22 0.00 0.00 54.13 53.26 2ds4 s LEU 34 Cb -0.15 -2.41 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 2ds4 s LEU 34 CO 0.01 -0.49 0.82 -0.76 -1.32 0.00 0.00 176.35 174.61 2ds4 s LEU 35 N 2.15 4.57 -0.25 -0.68 1.43 -0.77 -2.14 118.68 122.99 2ds4 s LEU 35 Ca 0.13 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 2ds4 s LEU 35 Cb -0.17 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2ds4 s LEU 35 CO 0.13 0.17 -0.00 0.00 0.23 0.00 0.00 176.35 176.87 2ds4 s LYS 37 N 1.46 2.08 0.51 0.00 3.01 -1.26 -3.85 119.74 121.69 2ds4 s LYS 37 Ca 0.04 -1.95 -0.00 0.00 -1.01 0.00 0.00 55.97 53.05 2ds4 s LYS 37 Cb -0.16 -1.82 0.10 0.00 -1.01 0.00 0.00 37.83 34.95 2ds4 s LYS 37 CO -0.01 -0.05 0.70 -0.25 0.51 0.00 0.00 175.35 176.25 2ds4 n ASP 38 N -1.07 0.94 0.26 2.83 8.00 -0.24 -2.06 116.55 125.21 2ds4 n ASP 38 Ca -0.03 -1.80 0.10 0.00 0.71 0.00 0.00 54.79 53.77 2ds4 n ASP 38 Cb 0.65 -0.45 0.68 0.00 -0.02 0.00 0.00 41.12 41.98 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ds4 h ALA 39 N -0.56 1.65 -0.18 2.24 0.00 -1.90 -0.29 119.26 120.22 2ds4 h ALA 39 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ds4 h ALA 39 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ds4 h ALA 39 CO 0.25 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2ds4 n ALA 40 N -2.43 2.47 -2.68 0.00 0.00 -1.26 -4.88 120.51 111.74 2ds4 n ALA 40 Ca -0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 2ds4 n ALA 40 Cb 0.17 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 0.80 -0.39 3.55 0.00 0.00 -0.12 -5.00 105.19 104.03 2ds4 n GLY 41 Ca 0.07 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.29 1.96 0.20 1.61 -1.05 -1.26 -4.85 118.70 110.03 2ds4 s GLU 42 Ca 0.15 -1.58 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 2ds4 s GLU 42 Cb -0.07 -1.97 -0.09 0.00 -0.44 0.00 0.00 34.13 31.57 2ds4 s GLU 42 CO 0.19 0.35 1.39 0.42 0.95 0.00 0.00 175.26 178.56 2ds4 s ILE 43 N -2.35 3.00 -0.19 1.83 -1.09 -1.26 -1.07 121.20 120.07 2ds4 s ILE 43 Ca 0.30 0.80 0.14 0.00 -2.23 0.00 0.00 60.65 59.66 2ds4 s ILE 43 Cb -0.06 -3.51 -0.22 0.00 -1.58 0.00 0.00 42.46 37.09 2ds4 s ILE 43 CO 0.17 0.11 0.02 1.15 -1.23 0.00 0.00 174.94 175.16 2ds4 n MET 44 N 2.88 0.96 -3.60 2.79 0.00 -1.25 -4.87 117.12 114.02 2ds4 n MET 44 Ca 0.08 0.01 -0.24 0.00 0.00 0.00 0.00 57.70 57.55 2ds4 n MET 44 Cb 0.41 -1.47 0.04 0.00 0.00 0.00 0.00 33.22 32.21 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 1.95 -0.73 3.45 3.17 0.00 -1.26 -4.89 105.19 106.88 2ds4 n GLY 45 Ca -0.31 0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.66 1.04 -0.22 1.61 1.04 -1.26 -4.80 118.95 110.70 2ds4 s ARG 46 Ca 0.27 0.02 -0.08 0.00 -1.04 0.00 0.00 55.73 54.90 2ds4 s ARG 46 Cb -0.07 0.48 -0.04 0.00 -2.04 0.00 0.00 34.95 33.28 2ds4 s ARG 46 CO 0.82 -0.35 0.10 0.20 -0.04 0.00 0.00 175.30 176.02 2ds4 s GLY 47 N -1.56 1.89 0.00 3.88 0.00 -1.25 -3.95 107.32 106.34 2ds4 s GLY 47 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2ds4 s GLY 47 CO 0.04 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.05 2ds4 n GLY 48 N 4.16 0.00 3.12 0.20 0.00 -1.26 -5.01 105.19 106.40 2ds4 n GLY 48 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.49 -0.37 1.61 1.01 -1.26 -4.96 116.67 114.19 2ds4 s ASP 49 Ca 0.00 -0.44 -0.17 0.00 0.71 0.00 0.00 52.55 52.65 2ds4 s ASP 49 Cb 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.84 2ds4 s ASP 49 CO 0.00 0.01 0.46 0.20 0.21 0.00 0.00 175.17 176.05 2ds4 s ASN 50 N -1.10 6.25 -0.20 0.27 0.01 -1.26 -5.05 114.94 113.86 2ds4 s ASN 50 Ca 0.00 -0.25 -0.11 0.00 -0.71 0.00 0.00 52.86 51.79 2ds4 s ASN 50 Cb -0.08 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 2ds4 s ASN 50 CO 0.01 -0.48 0.18 -0.69 -1.51 0.00 0.00 177.10 174.61 2ds4 s VAL 51 N 2.26 5.37 -0.22 1.60 1.01 -1.26 -2.76 120.40 126.39 2ds4 s VAL 51 Ca 0.15 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2ds4 s VAL 51 Cb -0.16 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2ds4 s VAL 51 CO 0.13 0.40 -0.14 -1.10 0.00 0.00 0.00 175.10 174.39 2ds4 s GLN 52 N 0.60 2.43 -0.18 2.72 -0.21 -0.80 -5.03 119.66 119.19 2ds4 s GLN 52 Ca 0.10 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2ds4 s GLN 52 Cb -0.12 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.22 2ds4 s GLN 52 CO 0.01 -0.42 -0.17 0.08 -2.12 0.00 0.00 175.29 172.67 2ds4 s VAL 53 N 1.23 2.35 -0.09 1.09 1.01 -1.25 -2.56 120.40 122.18 2ds4 s VAL 53 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2ds4 s VAL 53 Cb -0.17 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.25 2ds4 s VAL 53 CO -0.08 0.52 0.06 0.00 0.00 0.00 0.00 175.10 175.59 2ds4 s ALA 54 N 1.25 0.39 -0.15 5.51 0.00 -0.71 -4.95 121.76 123.09 2ds4 s ALA 54 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 2ds4 s ALA 54 Cb -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2ds4 s ALA 54 CO -0.09 -0.69 0.08 0.08 0.00 0.00 0.00 175.76 175.13 2ds4 s VAL 55 N 2.12 4.97 -0.09 0.00 1.01 -1.26 -0.52 120.40 126.62 2ds4 s VAL 55 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2ds4 s VAL 55 Cb -0.13 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2ds4 s VAL 55 CO -0.05 0.52 0.21 -0.69 0.00 0.00 0.00 175.10 175.09 2ds4 s VAL 56 N -0.18 -0.09 0.09 2.92 1.01 -1.19 -3.70 120.40 119.26 2ds4 s VAL 56 Ca 0.08 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 2ds4 s VAL 56 Cb -0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2ds4 s VAL 56 CO 0.01 0.08 1.38 -2.16 0.00 0.00 0.00 175.10 174.41 2ds4 s PRO 57 N 1.39 4.32 0.61 2.72 0.04 -1.26 -1.48 135.00 141.35 2ds4 s PRO 57 Ca -0.08 2.03 0.33 0.00 0.04 0.00 0.00 61.00 63.33 2ds4 s PRO 57 Cb -0.11 -3.32 1.92 0.00 0.04 0.00 0.00 34.50 33.02 2ds4 s PRO 57 CO -0.07 -0.45 2.24 -0.22 0.04 0.00 0.00 177.00 178.53 2ds4 h LYS 58 N 7.02 0.00 0.09 4.56 3.64 -1.54 -2.81 116.57 127.53 2ds4 h LYS 58 Ca -0.41 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2ds4 h LYS 58 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2ds4 h LYS 58 CO 0.87 0.00 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.57 2ds4 h ASP 59 N 0.00 -0.10 -3.30 4.20 5.19 -1.91 -3.45 116.42 117.05 2ds4 h ASP 59 Ca 0.02 -0.20 -0.58 0.00 -0.62 0.00 0.00 57.03 55.65 2ds4 h ASP 59 Cb 0.14 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.59 2ds4 h ASP 59 CO -0.00 0.47 -0.17 -0.54 -3.12 0.00 0.00 179.24 175.88 2ds4 s LYS 60 N -2.19 4.30 0.09 3.56 -0.14 -1.06 -4.96 119.74 119.34 2ds4 s LYS 60 Ca -0.06 0.39 0.24 0.00 -1.36 0.00 0.00 55.97 55.18 2ds4 s LYS 60 Cb -0.00 -3.42 0.23 0.00 -1.68 0.00 0.00 37.83 32.95 2ds4 s LYS 60 CO 0.21 0.21 1.20 0.36 -0.76 0.00 0.00 175.35 176.57 2ds4 n LYS 61 N 3.51 0.30 -0.02 1.68 2.85 -1.26 -4.07 118.16 121.15 2ds4 n LYS 61 Ca -0.08 0.05 -0.03 0.00 -1.05 0.00 0.00 58.31 57.20 2ds4 n LYS 61 Cb 0.52 -1.65 -0.01 0.00 -0.65 0.00 0.00 35.03 33.24 2ds4 n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2ds4 n ASP 62 N -2.06 0.89 -3.20 -5.58 -0.08 -1.26 -4.94 116.55 100.33 2ds4 n ASP 62 Ca 0.03 0.14 -0.25 0.00 -1.51 0.00 0.00 54.79 53.20 2ds4 n ASP 62 Cb 0.44 -0.46 -0.12 0.00 2.34 0.00 0.00 41.12 43.31 2ds4 n ASP 62 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2ds4 n SER 63 N -3.37 -0.16 -3.05 1.67 7.64 -1.26 -4.85 113.62 110.23 2ds4 n SER 63 Ca -0.05 -0.02 -0.16 0.00 1.01 0.00 0.00 58.87 59.65 2ds4 n SER 63 Cb 0.18 -0.57 0.13 0.00 -1.01 0.00 0.00 64.21 62.94 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 5.42 -2.14 -4.10 1.43 -0.04 -1.26 -4.49 135.00 129.83 2ds4 n PRO 64 Ca 0.47 -0.91 -0.16 0.00 -0.04 0.00 0.00 63.50 62.87 2ds4 n PRO 64 Cb 0.04 -0.85 -0.15 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.03 0.34 -0.13 0.52 1.01 -1.24 -4.91 120.40 113.97 2ds4 s VAL 65 Ca 0.37 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2ds4 s VAL 65 Cb -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2ds4 s VAL 65 CO 0.28 0.11 1.65 -0.13 0.00 0.00 0.00 175.10 177.02 2ds4 s ARG 66 N 0.09 3.99 0.07 2.72 0.52 -1.26 -4.76 118.95 120.33 2ds4 s ARG 66 Ca -0.01 1.97 0.06 0.00 -0.52 0.00 0.00 55.73 57.23 2ds4 s ARG 66 Cb -0.04 -4.01 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 2ds4 s ARG 66 CO -0.00 -1.07 -0.17 0.95 0.02 0.00 0.00 175.30 175.04 2ds4 s THR 67 N 4.64 1.32 -0.02 0.02 -4.23 -1.26 -2.29 115.64 113.82 2ds4 s THR 67 Ca 0.73 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2ds4 s THR 67 Cb -0.30 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.34 2ds4 s THR 67 CO 0.29 -0.12 0.03 -0.32 -0.54 0.00 0.00 174.62 173.96 2ds4 s MET 68 N -1.68 -0.02 -0.18 3.99 1.75 0.73 -5.01 119.30 118.88 2ds4 s MET 68 Ca 0.01 0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.64 2ds4 s MET 68 Cb -0.10 -0.25 0.02 0.00 2.84 0.00 0.00 34.83 37.35 2ds4 s MET 68 CO 0.03 -0.16 -0.19 0.54 -0.65 0.00 0.00 175.02 174.59 2ds4 s VAL 69 N 1.01 2.04 -0.32 10.11 0.11 -1.26 -1.09 120.40 130.99 2ds4 s VAL 69 Ca -0.09 -0.98 -0.11 0.00 -2.93 0.00 0.00 61.98 57.88 2ds4 s VAL 69 Cb -0.12 -1.87 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 2ds4 s VAL 69 CO -0.03 0.49 0.19 -1.10 -3.33 0.00 0.00 175.10 171.32 2ds4 s GLN 70 N 1.29 3.40 -0.53 1.54 -0.21 -0.24 -5.03 119.66 119.87 2ds4 s GLN 70 Ca 0.04 -0.69 -0.21 0.00 0.02 0.00 0.00 55.36 54.52 2ds4 s GLN 70 Cb -0.14 -3.67 0.05 0.00 1.00 0.00 0.00 33.01 30.25 2ds4 s GLN 70 CO -0.12 -0.43 0.75 0.16 -2.12 0.00 0.00 175.29 173.53 2ds4 s ASP 71 N 1.66 6.27 0.08 5.90 -4.77 -1.26 -2.58 116.67 121.96 2ds4 s ASP 71 Ca 0.05 -0.71 0.22 0.00 -3.30 0.00 0.00 52.55 48.81 2ds4 s ASP 71 Cb -0.17 -2.35 -0.13 0.00 -1.09 0.00 0.00 42.92 39.18 2ds4 s ASP 71 CO 0.08 -1.03 0.82 0.59 0.70 0.00 0.00 175.17 176.33 2ds4 n ASN 72 N 6.69 0.48 -4.18 2.11 3.02 -1.26 -4.97 115.26 117.15 2ds4 n ASN 72 Ca -0.03 0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.24 2ds4 n ASN 72 Cb 0.46 1.13 -0.03 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.35 -3.23 -0.52 3.52 4.76 -1.26 -4.83 118.16 114.26 2ds4 n LYS 73 Ca -0.01 0.38 0.07 0.00 -2.87 0.00 0.00 58.31 55.87 2ds4 n LYS 73 Cb 0.53 -5.00 0.14 0.00 -1.84 0.00 0.00 35.03 28.85 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ds4 n ASP 74 N -2.71 1.66 0.00 4.39 -0.08 -1.26 -3.80 116.55 114.75 2ds4 n ASP 74 Ca 0.01 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.12 2ds4 n ASP 74 Cb 0.52 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.55 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ds4 n GLY 75 N -0.91 2.88 3.22 0.27 0.00 -1.25 -4.72 105.19 104.68 2ds4 n GLY 75 Ca 0.14 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.66 1.34 0.22 2.61 -4.23 -1.26 -2.95 115.64 108.69 2ds4 s THR 76 Ca 0.00 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2ds4 s THR 76 Cb 0.00 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 2ds4 s THR 76 CO 0.00 -0.20 0.02 -0.31 -0.54 0.00 0.00 174.62 173.60 2ds4 s TYR 77 N -1.36 2.82 -0.33 3.99 1.51 -0.91 -4.40 117.35 118.67 2ds4 s TYR 77 Ca 0.02 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 2ds4 s TYR 77 Cb -0.09 -1.31 0.09 0.00 -0.11 0.00 0.00 41.96 40.54 2ds4 s TYR 77 CO 0.03 0.56 0.02 -0.47 -1.11 0.00 0.00 175.55 174.58 2ds4 s TYR 78 N -2.01 3.65 0.01 2.71 5.04 -1.07 -2.48 117.35 123.20 2ds4 s TYR 78 Ca 0.30 -2.87 -0.02 0.00 -2.44 0.00 0.00 57.07 52.04 2ds4 s TYR 78 Cb -0.08 -2.74 -0.04 0.00 0.35 0.00 0.00 41.96 39.45 2ds4 s TYR 78 CO 0.20 -0.94 0.16 0.42 -1.34 0.00 0.00 175.55 174.05 2ds4 s ILE 79 N 0.95 5.24 -0.11 3.14 1.01 -1.05 -1.08 121.20 129.28 2ds4 s ILE 79 Ca 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2ds4 s ILE 79 Cb -0.19 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2ds4 s ILE 79 CO -0.08 0.29 0.28 -0.44 0.00 0.00 0.00 174.94 175.00 2ds4 s SER 80 N -2.01 -0.31 -0.02 3.58 0.01 -0.25 -2.01 113.70 112.70 2ds4 s SER 80 Ca 0.28 0.59 -0.04 0.00 1.31 0.00 0.00 55.95 58.09 2ds4 s SER 80 Cb -0.13 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2ds4 s SER 80 CO 0.19 -0.14 0.08 -0.72 0.41 0.00 0.00 173.24 173.07 2ds4 s TYR 81 N 0.79 0.00 -0.18 2.43 -0.85 -0.57 -0.19 117.35 118.79 2ds4 s TYR 81 Ca -0.05 0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 2ds4 s TYR 81 Cb -0.06 -0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.30 2ds4 s TYR 81 CO -0.05 -0.14 0.02 0.99 -1.52 0.00 0.00 175.55 174.85 2ds4 s THR 82 N -0.60 0.62 0.28 -3.49 2.01 -0.97 -1.31 115.64 112.17 2ds4 s THR 82 Ca -0.07 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2ds4 s THR 82 Cb -0.04 -1.03 -0.10 0.00 0.01 0.00 0.00 72.50 71.34 2ds4 s THR 82 CO 0.00 -0.10 1.25 -2.16 -0.69 0.00 0.00 174.62 172.92 2ds4 s PRO 83 N 1.83 4.44 -0.07 4.92 0.04 -1.26 -4.02 135.00 140.88 2ds4 s PRO 83 Ca -0.00 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2ds4 s PRO 83 Cb -0.16 -3.14 -0.29 0.00 0.04 0.00 0.00 34.50 30.95 2ds4 s PRO 83 CO -0.07 -0.09 0.58 0.87 0.04 0.00 0.00 177.00 178.32 2ds4 h LYS 84 N 4.08 0.32 -6.18 4.56 1.57 -1.95 -0.06 116.57 118.92 2ds4 h LYS 84 Ca -0.47 -0.55 -0.56 0.00 -1.87 0.00 0.00 60.65 57.20 2ds4 h LYS 84 Cb 1.22 0.20 -0.21 0.00 0.08 0.00 0.00 32.23 33.52 2ds4 h LYS 84 CO 0.69 1.23 -0.83 -1.21 -0.57 0.00 0.00 179.45 178.77 2ds4 s GLU 85 N -2.58 1.15 0.87 3.15 8.01 -1.26 -4.56 118.70 123.48 2ds4 s GLU 85 Ca -0.17 -1.19 -0.11 0.00 0.01 0.00 0.00 54.97 53.51 2ds4 s GLU 85 Cb 0.06 -1.41 0.12 0.00 -4.31 0.00 0.00 34.13 28.59 2ds4 s GLU 85 CO 0.82 0.32 1.09 -1.25 0.01 0.00 0.00 175.26 176.26 2ds4 s PRO 86 N -1.98 1.43 0.00 0.39 0.04 -1.26 -4.92 135.00 128.70 2ds4 s PRO 86 Ca 0.07 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2ds4 s PRO 86 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ds4 s PRO 86 CO 0.04 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.36 2ds4 n GLY 87 N -1.14 0.71 3.76 0.56 0.00 0.17 -4.92 105.19 104.34 2ds4 n GLY 87 Ca 0.07 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2ds4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 s VAL 88 N -0.87 4.72 0.30 1.61 0.11 -1.26 0.38 120.40 125.39 2ds4 s VAL 88 Ca 0.00 1.47 0.04 0.00 -2.93 0.00 0.00 61.98 60.56 2ds4 s VAL 88 Cb 0.00 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.76 2ds4 s VAL 88 CO 0.00 0.43 0.03 -0.31 -3.33 0.00 0.00 175.10 171.92 2ds4 s TYR 89 N -0.42 1.87 -0.31 1.54 1.51 0.14 -1.34 117.35 120.34 2ds4 s TYR 89 Ca 0.34 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2ds4 s TYR 89 Cb -0.20 -1.17 0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2ds4 s TYR 89 CO 0.21 0.04 0.08 0.99 -1.11 0.00 0.00 175.55 175.76 2ds4 s THR 90 N -3.28 1.12 -0.53 -0.71 2.01 -0.55 -0.03 115.64 113.68 2ds4 s THR 90 Ca 0.34 -1.53 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 2ds4 s THR 90 Cb 0.07 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.77 2ds4 s THR 90 CO 0.13 -0.63 1.37 -0.69 -0.69 0.00 0.00 174.62 174.11 2ds4 s VAL 91 N 1.50 3.86 -0.31 3.82 1.01 -0.60 -3.17 120.40 126.51 2ds4 s VAL 91 Ca 0.09 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 2ds4 s VAL 91 Cb -0.18 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2ds4 s VAL 91 CO -0.21 -1.09 0.90 0.26 0.00 0.00 0.00 175.10 174.95 2ds4 s TRP 92 N 5.71 3.19 -0.27 5.22 0.52 0.32 -3.12 118.94 130.51 2ds4 s TRP 92 Ca 0.53 0.97 0.01 0.00 0.02 0.00 0.00 56.10 57.63 2ds4 s TRP 92 Cb -0.11 -3.38 0.08 0.00 -1.15 0.00 0.00 33.47 28.92 2ds4 s TRP 92 CO 0.27 -0.63 0.02 0.08 0.02 0.00 0.00 176.95 176.71 2ds4 s VAL 93 N 3.20 1.37 0.02 4.03 1.01 -1.26 -1.74 120.40 127.03 2ds4 s VAL 93 Ca 0.37 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2ds4 s VAL 93 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2ds4 s VAL 93 CO 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 175.10 174.75 2ds4 s ILE 95 N -0.59 2.46 -1.12 0.00 1.01 0.12 -1.90 121.20 121.18 2ds4 s ILE 95 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 2ds4 s ILE 95 Cb -0.06 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2ds4 s ILE 95 CO 0.00 0.31 0.95 0.29 0.00 0.00 0.00 174.94 176.49 2ds4 n LYS 96 N 4.61 -6.32 -3.39 2.79 5.02 -1.11 -2.54 118.16 117.22 2ds4 n LYS 96 Ca -0.18 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 56.65 2ds4 n LYS 96 Cb 0.48 -5.50 0.07 0.00 -0.02 0.00 0.00 35.03 30.05 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 -4.04 -6.71 -3.67 1.97 1.02 -1.26 -5.00 120.64 102.95 2ds4 n GLU 97 Ca -0.16 0.76 -0.12 0.00 -0.02 0.00 0.00 57.16 57.61 2ds4 n GLU 97 Cb 0.62 -5.53 -0.12 0.00 -0.02 0.00 0.00 31.44 26.38 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 -6.08 0.20 -0.12 3.49 -0.21 -1.05 -5.12 119.66 110.76 2ds4 s GLN 98 Ca 0.48 0.78 -0.29 0.00 0.02 0.00 0.00 55.36 56.35 2ds4 s GLN 98 Cb -0.21 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 2ds4 s GLN 98 CO 0.60 -0.26 1.63 -3.38 -2.12 0.00 0.00 175.29 171.76 2ds4 s HIS 99 N 2.26 2.06 1.30 0.91 -3.43 -1.26 0.11 115.29 117.24 2ds4 s HIS 99 Ca -0.01 0.39 -0.22 0.00 -0.80 0.00 0.00 55.06 54.42 2ds4 s HIS 99 Cb -0.12 -3.91 0.32 0.00 -1.43 0.00 0.00 32.58 27.45 2ds4 s HIS 99 CO -0.09 -3.38 1.07 0.14 -2.00 0.00 0.00 174.74 170.48 2ds4 s VAL 100 N 4.52 1.41 0.34 -5.38 -7.23 -1.19 -4.63 120.40 108.24 2ds4 s VAL 100 Ca 0.72 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.61 2ds4 s VAL 100 Cb -0.29 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 2ds4 s VAL 100 CO 0.28 0.00 1.24 -1.58 -0.31 0.00 0.00 175.10 174.73 2ds4 s GLN 101 N -5.43 4.32 -1.14 4.82 0.74 -1.03 -3.40 119.66 118.54 2ds4 s GLN 101 Ca 0.71 2.06 -0.03 0.00 0.05 0.00 0.00 55.36 58.16 2ds4 s GLN 101 Cb -0.08 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.04 2ds4 s GLN 101 CO 0.56 -0.16 0.97 0.41 -0.55 0.00 0.00 175.29 176.51 2ds4 n GLY 102 N 0.84 -0.33 3.59 2.59 0.00 -1.26 -4.77 105.19 105.85 2ds4 n GLY 102 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.88 -0.28 0.89 1.61 0.01 -1.22 -4.53 113.70 106.30 2ds4 s SER 103 Ca 0.20 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.64 2ds4 s SER 103 Cb -0.09 0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.51 2ds4 s SER 103 CO 0.66 -0.27 1.09 -2.16 0.41 0.00 0.00 173.24 172.97 2ds4 s PRO 104 N -1.17 1.27 0.02 12.44 0.04 -1.26 -4.52 135.00 141.82 2ds4 s PRO 104 Ca 0.01 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.88 2ds4 s PRO 104 Cb -0.01 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2ds4 s PRO 104 CO -0.01 -2.23 -0.04 -0.59 0.04 0.00 0.00 177.00 174.16 2ds4 s PHE 105 N -2.93 0.36 0.51 0.56 -0.12 -1.18 -5.01 117.98 110.17 2ds4 s PHE 105 Ca 0.63 -0.49 -0.13 0.00 -0.05 0.00 0.00 56.93 56.89 2ds4 s PHE 105 Cb -0.18 -0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 41.90 2ds4 s PHE 105 CO 0.57 -0.15 0.94 0.95 -0.05 0.00 0.00 175.22 177.47 2ds4 s THR 106 N -1.36 4.64 -0.07 -4.49 -4.23 -1.26 -1.56 115.64 107.31 2ds4 s THR 106 Ca -0.13 0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 61.31 2ds4 s THR 106 Cb -0.09 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.02 2ds4 s THR 106 CO -0.01 -0.76 0.15 -0.69 -0.54 0.00 0.00 174.62 172.78 2ds4 s VAL 107 N -2.69 -0.08 -0.10 2.29 1.01 0.96 -4.66 120.40 117.12 2ds4 s VAL 107 Ca 0.56 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2ds4 s VAL 107 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2ds4 s VAL 107 CO 0.37 0.08 0.61 0.28 0.00 0.00 0.00 175.10 176.45 2ds4 s THR 108 N 1.33 5.09 -0.40 3.92 -1.32 -0.82 0.24 115.64 123.68 2ds4 s THR 108 Ca -0.08 1.24 -0.08 0.00 -1.21 0.00 0.00 61.69 61.57 2ds4 s THR 108 Cb -0.12 -3.95 0.08 0.00 -1.51 0.00 0.00 72.50 67.00 2ds4 s THR 108 CO -0.06 0.26 0.22 -0.69 -2.21 0.00 0.00 174.62 172.14 2ds4 s VAL 109 N 0.87 3.97 1.40 5.08 1.01 0.16 0.79 120.40 133.68 2ds4 s VAL 109 Ca 0.32 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2ds4 s VAL 109 Cb -0.17 -3.44 0.36 0.00 0.00 0.00 0.00 36.38 33.13 2ds4 s VAL 109 CO 0.14 -0.48 0.94 -0.13 0.00 0.00 0.00 175.10 175.58 2ds4 s ARG 110 N 1.37 -2.75 -0.06 2.72 0.52 -0.02 -0.65 118.95 120.08 2ds4 s ARG 110 Ca 0.03 0.19 -0.07 0.00 -0.52 0.00 0.00 55.73 55.36 2ds4 s ARG 110 Cb -0.22 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2ds4 s ARG 110 CO 0.01 -4.77 0.21 1.03 0.02 0.00 0.00 175.30 171.80 2ds4 s ARG 111 N -5.03 3.53 0.28 3.54 3.00 -1.26 -1.59 118.95 121.42 2ds4 s ARG 111 Ca 0.69 -0.08 -0.20 0.00 0.00 0.00 0.00 55.73 56.13 2ds4 s ARG 111 Cb -0.14 -3.15 -0.09 0.00 0.00 0.00 0.00 34.95 31.57 2ds4 s ARG 111 CO 0.58 0.72 0.79 0.21 0.00 0.00 0.00 175.30 177.60 2ds4 s LYS 112 N -1.36 4.26 0.00 3.54 2.20 -1.26 -4.71 119.74 122.41 2ds4 s LYS 112 Ca 0.21 0.94 0.13 0.00 -0.36 0.00 0.00 55.97 56.89 2ds4 s LYS 112 Cb -0.13 -2.71 0.75 0.00 -1.51 0.00 0.00 37.83 34.23 2ds4 s LYS 112 CO 0.10 0.29 1.18 -2.39 -0.36 0.00 0.00 175.35 174.17