#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 3.71 -0.05 1.61 1.04 -1.26 -5.11 113.70 113.65 2ds4 s SER 2 Ca 0.00 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2ds4 s SER 2 Cb 0.00 -1.57 0.01 0.00 0.10 0.00 0.00 66.02 64.56 2ds4 s SER 2 CO 0.00 0.09 0.18 -0.44 0.98 0.00 0.00 173.24 174.05 2ds4 s SER 3 N 0.76 -0.13 0.00 7.02 0.01 -1.26 -5.15 113.70 114.95 2ds4 s SER 3 Ca -0.06 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2ds4 s SER 3 Cb -0.15 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2ds4 s SER 3 CO 0.01 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ds4 n GLY 4 N 2.46 -1.13 3.67 3.44 0.00 -1.25 -5.03 105.19 107.35 2ds4 n GLY 4 Ca -0.16 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.00 6.53 0.23 1.61 1.04 -1.26 -4.72 113.70 113.13 2ds4 s SER 5 Ca 0.00 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.90 2ds4 s SER 5 Cb 0.00 -2.27 0.25 0.00 0.10 0.00 0.00 66.02 64.10 2ds4 s SER 5 CO 0.00 -0.12 1.50 -0.24 0.98 0.00 0.00 173.24 175.36 2ds4 n SER 6 N 4.53 -0.60 0.00 7.02 2.88 -1.26 -4.51 113.62 121.68 2ds4 n SER 6 Ca -0.06 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.16 2ds4 n SER 6 Cb 0.51 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.47 0.04 3.47 0.46 0.00 -1.26 -5.16 105.19 101.27 2ds4 n GLY 7 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.56 1.43 -0.02 1.61 -1.05 -1.26 -5.11 118.70 113.74 2ds4 s GLU 8 Ca 0.00 -1.35 -0.24 0.00 -0.15 0.00 0.00 54.97 53.23 2ds4 s GLU 8 Cb 0.00 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 2ds4 s GLU 8 CO 0.00 -0.56 0.74 0.54 0.95 0.00 0.00 175.26 176.93 2ds4 s VAL 9 N -4.05 4.91 -0.14 1.83 0.11 -1.26 -3.27 120.40 118.52 2ds4 s VAL 9 Ca 0.27 1.55 -0.03 0.00 -2.93 0.00 0.00 61.98 60.83 2ds4 s VAL 9 Cb 0.02 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2ds4 s VAL 9 CO 0.09 0.30 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.51 2ds4 s ASP 10 N 0.44 4.84 0.05 3.54 2.15 -0.78 -4.89 116.67 122.02 2ds4 s ASP 10 Ca 0.39 -0.10 -0.20 0.00 0.43 0.00 0.00 52.55 53.08 2ds4 s ASP 10 Cb -0.19 -1.72 -0.14 0.00 -0.30 0.00 0.00 42.92 40.57 2ds4 s ASP 10 CO 0.21 0.20 1.35 1.55 -0.17 0.00 0.00 175.17 178.31 2ds4 h PRO 11 N 6.48 0.40 -0.28 4.34 0.13 -1.87 -1.93 132.00 139.27 2ds4 h PRO 11 Ca -0.34 -0.21 0.08 0.00 -0.87 0.00 0.00 66.00 64.66 2ds4 h PRO 11 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ds4 h PRO 11 CO 0.62 0.77 0.38 0.00 -0.23 0.00 0.00 178.00 179.54 2ds4 h ALA 12 N 0.62 1.88 0.05 -0.56 0.00 -1.87 -0.05 119.26 119.33 2ds4 h ALA 12 Ca 0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 2ds4 h ALA 12 Cb 0.70 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2ds4 h ALA 12 CO 0.04 -0.52 -2.01 1.63 0.00 0.00 0.00 179.25 178.39 2ds4 n LYS 13 N -3.53 0.69 -1.07 0.00 4.76 -1.14 -3.99 118.16 113.89 2ds4 n LYS 13 Ca 0.04 0.23 -0.36 0.00 -2.87 0.00 0.00 58.31 55.35 2ds4 n LYS 13 Cb 0.52 -1.69 0.07 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.07 0.14 0.14 0.00 -7.23 -1.20 -3.86 120.40 106.31 2ds4 s VAL 15 Ca 0.55 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2ds4 s VAL 15 Cb -0.29 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2ds4 s VAL 15 CO 0.68 0.00 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.52 2ds4 s LEU 16 N -3.29 2.39 0.27 1.32 1.43 -1.26 -2.40 118.68 117.13 2ds4 s LEU 16 Ca 0.38 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2ds4 s LEU 16 Cb 0.05 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 2ds4 s LEU 16 CO 0.18 -0.01 -0.08 -1.10 0.23 0.00 0.00 176.35 175.56 2ds4 s GLN 17 N -2.47 1.54 0.00 1.70 -0.21 0.30 -4.95 119.66 115.56 2ds4 s GLN 17 Ca 0.12 -1.76 0.00 0.00 0.02 0.00 0.00 55.36 53.74 2ds4 s GLN 17 Cb -0.07 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.73 2ds4 s GLN 17 CO 0.05 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 2ds4 n GLY 18 N -0.56 3.44 3.89 3.09 0.00 -1.26 -3.38 105.19 110.40 2ds4 n GLY 18 Ca -0.06 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -4.60 3.68 -1.64 1.61 0.41 -1.26 -4.14 118.70 112.77 2ds4 s GLU 19 Ca 0.00 0.32 -0.14 0.00 -0.41 0.00 0.00 54.97 54.74 2ds4 s GLU 19 Cb 0.00 -2.42 0.12 0.00 -1.78 0.00 0.00 34.13 30.05 2ds4 s GLU 19 CO 0.00 -0.06 0.66 -0.40 -0.49 0.00 0.00 175.26 174.97 2ds4 n ASP 20 N -1.56 -2.38 -0.08 -0.19 5.75 -1.26 -4.82 116.55 112.02 2ds4 n ASP 20 Ca 0.01 -1.04 -0.00 0.00 -0.01 0.00 0.00 54.79 53.76 2ds4 n ASP 20 Cb 0.54 -2.71 0.28 0.00 -1.03 0.00 0.00 41.12 38.21 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 -1.56 0.64 -2.75 -2.12 3.38 -1.95 -1.64 115.31 109.30 2ds4 h LEU 21 Ca -0.60 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.12 2ds4 h LEU 21 Cb 1.38 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 2ds4 h LEU 21 CO 0.75 0.59 0.21 1.41 0.09 0.00 0.00 178.44 181.49 2ds4 n HIS 22 N -4.34 1.38 -3.69 1.13 8.25 -1.26 -4.78 115.22 111.91 2ds4 n HIS 22 Ca 0.04 -0.89 -0.14 0.00 -0.26 0.00 0.00 57.72 56.47 2ds4 n HIS 22 Cb 0.16 -0.50 -0.14 0.00 1.12 0.00 0.00 29.99 30.64 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 -1.75 0.13 0.25 -0.41 3.00 -0.62 -2.66 118.95 116.90 2ds4 s ARG 23 Ca 0.28 0.61 0.04 0.00 -1.00 0.00 0.00 55.73 55.66 2ds4 s ARG 23 Cb 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 34.95 35.00 2ds4 s ARG 23 CO 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 175.30 175.13 2ds4 s ALA 24 N 1.95 1.92 -0.08 6.12 0.00 0.16 -4.90 121.76 126.92 2ds4 s ALA 24 Ca -0.02 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.16 2ds4 s ALA 24 Cb -0.12 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 2ds4 s ALA 24 CO -0.08 -0.26 -0.23 0.50 0.00 0.00 0.00 175.76 175.70 2ds4 s ARG 25 N -3.87 2.77 -0.15 0.00 3.52 -1.26 -1.63 118.95 118.33 2ds4 s ARG 25 Ca 0.30 -0.84 -0.41 0.00 -0.13 0.00 0.00 55.73 54.65 2ds4 s ARG 25 Cb 0.06 -2.17 -0.18 0.00 -1.56 0.00 0.00 34.95 31.10 2ds4 s ARG 25 CO 0.10 0.23 1.43 -1.91 -0.81 0.00 0.00 175.30 174.34 2ds4 n GLU 26 N 3.37 0.62 -3.41 5.12 2.13 0.12 -0.35 120.64 128.24 2ds4 n GLU 26 Ca -0.19 0.23 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 2ds4 n GLU 26 Cb 0.53 -1.81 0.07 0.00 0.27 0.00 0.00 31.44 30.50 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 3.31 -6.72 -4.34 5.31 5.02 -0.52 -4.44 118.16 115.78 2ds4 n LYS 27 Ca 0.24 0.75 -0.25 0.00 -2.02 0.00 0.00 58.31 57.02 2ds4 n LYS 27 Cb 0.09 -5.51 -0.12 0.00 -0.02 0.00 0.00 35.03 29.47 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 -5.85 1.27 -0.51 1.97 2.00 0.53 -4.98 119.66 114.09 2ds4 s GLN 28 Ca 0.35 -1.31 -0.17 0.00 -2.00 0.00 0.00 55.36 52.22 2ds4 s GLN 28 Cb -0.15 -1.55 0.08 0.00 0.80 0.00 0.00 33.01 32.19 2ds4 s GLN 28 CO 0.65 0.35 0.54 0.99 -0.50 0.00 0.00 175.29 177.32 2ds4 s THR 29 N -1.42 5.04 -0.29 -0.34 2.01 -1.26 -4.00 115.64 115.38 2ds4 s THR 29 Ca 0.12 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 2ds4 s THR 29 Cb -0.09 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2ds4 s THR 29 CO 0.06 -0.79 0.21 0.00 -0.69 0.00 0.00 174.62 173.40 2ds4 s ALA 30 N 2.14 3.53 0.09 7.40 0.00 -0.62 -4.93 121.76 129.37 2ds4 s ALA 30 Ca 0.09 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 51.01 2ds4 s ALA 30 Cb -0.23 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2ds4 s ALA 30 CO 0.08 -0.62 -0.24 -1.54 0.00 0.00 0.00 175.76 173.44 2ds4 s SER 31 N 1.75 2.85 0.19 0.00 1.04 -1.26 -1.88 113.70 116.39 2ds4 s SER 31 Ca 0.07 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 2ds4 s SER 31 Cb -0.16 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2ds4 s SER 31 CO 0.11 0.15 0.33 0.72 0.98 0.00 0.00 173.24 175.53 2ds4 s PHE 32 N -1.00 0.44 -0.11 5.02 -0.71 -0.94 -4.95 117.98 115.73 2ds4 s PHE 32 Ca 0.10 -0.79 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 2ds4 s PHE 32 Cb -0.10 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 2ds4 s PHE 32 CO 0.04 -0.80 -0.02 0.99 -1.34 0.00 0.00 175.22 174.10 2ds4 s THR 33 N -4.00 4.14 -0.33 -4.49 2.01 -1.22 -3.06 115.64 108.70 2ds4 s THR 33 Ca 0.21 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 2ds4 s THR 33 Cb 0.02 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.82 2ds4 s THR 33 CO 0.04 0.56 0.07 -0.22 -0.69 0.00 0.00 174.62 174.38 2ds4 s LEU 34 N -0.41 4.21 0.28 4.42 2.96 -1.17 -0.54 118.68 128.43 2ds4 s LEU 34 Ca 0.07 -1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 52.49 2ds4 s LEU 34 Cb -0.12 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.66 2ds4 s LEU 34 CO 0.02 -0.31 0.96 -0.76 -1.32 0.00 0.00 176.35 174.94 2ds4 s LEU 35 N 1.35 4.51 -0.19 -0.68 1.43 -1.01 -2.76 118.68 121.33 2ds4 s LEU 35 Ca -0.03 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 2ds4 s LEU 35 Cb -0.20 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2ds4 s LEU 35 CO 0.01 0.02 0.02 0.00 0.23 0.00 0.00 176.35 176.64 2ds4 s LYS 37 N 0.75 1.69 0.51 0.00 3.01 -1.26 -3.84 119.74 120.61 2ds4 s LYS 37 Ca 0.01 -1.91 0.02 0.00 -1.01 0.00 0.00 55.97 53.08 2ds4 s LYS 37 Cb -0.14 -1.21 0.10 0.00 -1.01 0.00 0.00 37.83 35.57 2ds4 s LYS 37 CO 0.02 -0.04 0.71 -0.40 0.51 0.00 0.00 175.35 176.14 2ds4 n ASP 38 N -0.71 1.14 -0.03 2.83 5.75 -0.72 -1.87 116.55 122.93 2ds4 n ASP 38 Ca -0.04 -1.92 0.11 0.00 -0.01 0.00 0.00 54.79 52.93 2ds4 n ASP 38 Cb 0.65 -0.44 0.52 0.00 -1.03 0.00 0.00 41.12 40.82 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 -0.38 2.02 -0.03 2.12 0.00 -1.89 0.30 119.26 121.41 2ds4 h ALA 39 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ds4 h ALA 39 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ds4 h ALA 39 CO 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2ds4 n ALA 40 N -2.53 2.58 -2.43 0.00 0.00 -1.26 -4.87 120.51 112.00 2ds4 n ALA 40 Ca 0.08 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 2ds4 n ALA 40 Cb 0.33 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.81 -0.29 3.61 0.00 0.00 0.11 -5.01 105.19 104.42 2ds4 n GLY 41 Ca 0.13 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.95 2.21 0.25 1.61 -1.05 -1.26 -4.81 118.70 110.70 2ds4 s GLU 42 Ca 0.05 -1.21 -0.31 0.00 -0.15 0.00 0.00 54.97 53.35 2ds4 s GLU 42 Cb -0.02 -2.24 -0.12 0.00 -0.44 0.00 0.00 34.13 31.31 2ds4 s GLU 42 CO 0.07 0.44 1.61 -0.89 0.95 0.00 0.00 175.26 177.43 2ds4 n ILE 43 N -0.06 0.66 -0.07 1.83 2.08 -1.26 -1.75 119.36 120.80 2ds4 n ILE 43 Ca -0.10 -0.17 -0.08 0.00 0.56 0.00 0.00 62.75 62.96 2ds4 n ILE 43 Cb 0.55 -1.87 -0.07 0.00 -0.75 0.00 0.00 39.64 37.50 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 2.72 0.89 -3.27 0.38 0.00 -1.25 -4.88 117.12 111.72 2ds4 n MET 44 Ca 0.12 0.06 -0.15 0.00 0.00 0.00 0.00 57.70 57.72 2ds4 n MET 44 Cb 0.35 -1.28 0.07 0.00 0.00 0.00 0.00 33.22 32.36 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 2.68 -1.11 3.61 3.17 0.00 -1.26 -3.80 105.19 108.48 2ds4 n GLY 45 Ca -0.23 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.48 0.71 0.00 1.61 1.04 -1.26 -4.76 118.95 111.82 2ds4 s ARG 46 Ca 0.43 0.67 0.00 0.00 -1.04 0.00 0.00 55.73 55.79 2ds4 s ARG 46 Cb -0.06 0.35 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 2ds4 s ARG 46 CO 0.74 -0.12 0.00 0.41 -0.04 0.00 0.00 175.30 176.29 2ds4 n GLY 47 N 2.10 1.05 0.16 3.88 0.00 -1.19 -4.36 105.19 106.83 2ds4 n GLY 47 Ca -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.63 3.09 -0.02 0.00 -1.26 -5.01 105.19 107.61 2ds4 n GLY 48 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.51 1.07 -0.59 1.61 1.01 -1.26 -5.08 116.67 111.92 2ds4 s ASP 49 Ca 0.00 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.53 2ds4 s ASP 49 Cb 0.00 0.01 0.10 0.00 1.01 0.00 0.00 42.92 44.04 2ds4 s ASP 49 CO 0.00 -0.16 0.71 0.20 0.21 0.00 0.00 175.17 176.13 2ds4 s ASN 50 N -1.55 6.18 0.02 0.27 0.01 -1.26 -5.04 114.94 113.58 2ds4 s ASN 50 Ca -0.07 -1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 50.47 2ds4 s ASN 50 Cb -0.10 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.20 2ds4 s ASN 50 CO 0.01 -1.12 0.49 -0.69 -1.51 0.00 0.00 177.10 174.28 2ds4 s VAL 51 N 2.71 4.91 -0.09 1.60 1.01 -1.26 -1.66 120.40 127.63 2ds4 s VAL 51 Ca 0.12 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.16 2ds4 s VAL 51 Cb -0.24 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2ds4 s VAL 51 CO 0.06 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.41 2ds4 s GLN 52 N -0.90 2.54 -0.08 2.72 -0.21 0.08 -4.99 119.66 118.82 2ds4 s GLN 52 Ca 0.27 -0.70 -0.00 0.00 0.02 0.00 0.00 55.36 54.94 2ds4 s GLN 52 Cb -0.18 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 31.89 2ds4 s GLN 52 CO 0.16 0.12 -0.04 0.08 -2.12 0.00 0.00 175.29 173.48 2ds4 s VAL 53 N 0.48 0.68 -0.09 1.09 1.01 -1.26 -2.33 120.40 119.98 2ds4 s VAL 53 Ca -0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ds4 s VAL 53 Cb -0.17 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.52 2ds4 s VAL 53 CO 0.07 0.30 0.15 0.00 0.00 0.00 0.00 175.10 175.62 2ds4 s ALA 54 N 1.57 -0.11 -0.18 5.51 0.00 -0.92 -4.99 121.76 122.64 2ds4 s ALA 54 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 2ds4 s ALA 54 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2ds4 s ALA 54 CO -0.04 -0.63 0.10 0.08 0.00 0.00 0.00 175.76 175.26 2ds4 s VAL 55 N 2.28 5.10 -0.04 0.00 1.01 -1.26 -0.70 120.40 126.78 2ds4 s VAL 55 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2ds4 s VAL 55 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2ds4 s VAL 55 CO -0.06 0.47 0.09 -0.69 0.00 0.00 0.00 175.10 174.92 2ds4 s VAL 56 N 0.17 -0.05 0.16 2.92 1.01 -1.03 -3.73 120.40 119.85 2ds4 s VAL 56 Ca 0.07 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 2ds4 s VAL 56 Cb -0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 2ds4 s VAL 56 CO -0.00 0.08 1.33 -2.16 0.00 0.00 0.00 175.10 174.35 2ds4 s PRO 57 N 1.13 4.37 0.63 2.72 0.04 -1.26 -0.76 135.00 141.87 2ds4 s PRO 57 Ca -0.09 2.04 0.37 0.00 0.04 0.00 0.00 61.00 63.36 2ds4 s PRO 57 Cb -0.12 -3.22 2.12 0.00 0.04 0.00 0.00 34.50 33.31 2ds4 s PRO 57 CO -0.05 -0.32 2.30 -0.22 0.04 0.00 0.00 177.00 178.76 2ds4 h LYS 58 N 5.98 0.00 0.00 4.56 3.64 -1.49 -3.16 116.57 126.10 2ds4 h LYS 58 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2ds4 h LYS 58 CO 0.81 0.00 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.55 2ds4 h ASP 59 N 0.00 -0.00 -3.87 4.20 5.19 -1.91 -3.47 116.42 116.56 2ds4 h ASP 59 Ca 0.00 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.94 2ds4 h ASP 59 Cb 0.04 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2ds4 h ASP 59 CO -0.00 0.02 0.20 -0.54 -3.12 0.00 0.00 179.24 175.81 2ds4 s LYS 60 N -1.12 4.10 -0.06 3.56 -0.14 -1.19 -4.99 119.74 119.90 2ds4 s LYS 60 Ca -0.00 0.87 0.13 0.00 -1.36 0.00 0.00 55.97 55.60 2ds4 s LYS 60 Cb 0.00 -2.32 -0.19 0.00 -1.68 0.00 0.00 37.83 33.64 2ds4 s LYS 60 CO 0.00 0.07 0.19 1.17 -0.76 0.00 0.00 175.35 176.03 2ds4 n LYS 61 N -0.49 1.05 -0.08 1.68 4.81 -1.26 -4.15 118.16 119.72 2ds4 n LYS 61 Ca 0.05 -0.08 -0.06 0.00 -0.87 0.00 0.00 58.31 57.35 2ds4 n LYS 61 Cb 0.54 -1.33 -0.02 0.00 0.02 0.00 0.00 35.03 34.24 2ds4 n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ds4 n ASP 62 N -2.19 1.82 -3.85 3.14 2.03 -1.26 -4.87 116.55 111.37 2ds4 n ASP 62 Ca -0.10 0.49 -0.34 0.00 0.52 0.00 0.00 54.79 55.36 2ds4 n ASP 62 Cb 0.59 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 40.05 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ds4 n SER 63 N -4.49 0.12 -4.25 1.67 2.88 -1.26 -4.85 113.62 103.43 2ds4 n SER 63 Ca -0.10 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2ds4 n SER 63 Cb 0.37 -0.76 0.21 0.00 -0.75 0.00 0.00 64.21 63.28 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 7.56 -0.45 -0.11 -1.46 0.04 -1.26 -4.60 135.00 134.72 2ds4 s PRO 64 Ca 1.16 0.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 2ds4 s PRO 64 Cb -1.05 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 31.85 2ds4 s PRO 64 CO 0.43 -3.26 -0.08 0.08 0.04 0.00 0.00 177.00 174.21 2ds4 s VAL 65 N -2.99 1.01 0.04 -0.36 1.01 -1.24 -4.96 120.40 112.91 2ds4 s VAL 65 Ca 0.68 -0.29 -0.33 0.00 0.00 0.00 0.00 61.98 62.04 2ds4 s VAL 65 Cb -0.14 -1.02 -0.12 0.00 0.00 0.00 0.00 36.38 35.10 2ds4 s VAL 65 CO 0.57 0.36 1.79 0.54 0.00 0.00 0.00 175.10 178.36 2ds4 n ARG 66 N 4.81 2.34 -4.20 2.72 1.74 -1.26 -4.67 116.66 118.14 2ds4 n ARG 66 Ca -0.14 0.85 -0.12 0.00 -0.77 0.00 0.00 57.85 57.67 2ds4 n ARG 66 Cb 0.50 -2.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.15 2ds4 n ARG 66 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ds4 s THR 67 N 2.90 0.90 -0.08 0.55 -4.23 -1.26 -2.42 115.64 112.00 2ds4 s THR 67 Ca 0.86 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2ds4 s THR 67 Cb -0.63 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 71.54 2ds4 s THR 67 CO 0.44 -0.80 0.19 -0.32 -0.54 0.00 0.00 174.62 173.59 2ds4 s MET 68 N -3.70 0.15 -0.23 3.99 1.75 0.46 -5.00 119.30 116.72 2ds4 s MET 68 Ca 0.13 0.42 0.02 0.00 -1.25 0.00 0.00 55.69 55.01 2ds4 s MET 68 Cb 0.03 -0.14 0.05 0.00 2.84 0.00 0.00 34.83 37.62 2ds4 s MET 68 CO -0.02 -0.15 -0.11 0.54 -0.65 0.00 0.00 175.02 174.63 2ds4 s VAL 69 N 1.12 1.87 -0.51 10.11 0.11 -1.26 -1.16 120.40 130.68 2ds4 s VAL 69 Ca -0.08 -1.28 -0.18 0.00 -2.93 0.00 0.00 61.98 57.51 2ds4 s VAL 69 Cb -0.10 -1.96 0.08 0.00 -1.53 0.00 0.00 36.38 32.86 2ds4 s VAL 69 CO -0.07 0.09 0.56 -1.58 -3.33 0.00 0.00 175.10 170.77 2ds4 s GLN 70 N 1.27 3.06 0.14 1.54 2.00 -0.34 -5.04 119.66 122.29 2ds4 s GLN 70 Ca -0.04 -1.16 -0.30 0.00 -2.00 0.00 0.00 55.36 51.85 2ds4 s GLN 70 Cb -0.18 -4.15 -0.08 0.00 0.80 0.00 0.00 33.01 29.41 2ds4 s GLN 70 CO -0.07 -1.22 1.26 0.16 -0.50 0.00 0.00 175.29 174.91 2ds4 s ASP 71 N 2.89 6.99 0.00 6.67 -4.77 -1.26 -3.15 116.67 124.04 2ds4 s ASP 71 Ca 0.10 2.23 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 2ds4 s ASP 71 Cb -0.22 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 2ds4 s ASP 71 CO 0.09 -0.48 0.00 0.59 0.70 0.00 0.00 175.17 176.06 2ds4 n ASN 72 N 3.20 3.23 -2.52 2.11 3.02 -1.26 -5.02 115.26 118.01 2ds4 n ASN 72 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 2ds4 n ASN 72 Cb 0.44 0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.72 -2.30 -1.27 3.52 4.01 -1.26 -4.84 118.16 114.30 2ds4 n LYS 73 Ca 0.00 0.69 -0.16 0.00 -0.51 0.00 0.00 58.31 58.33 2ds4 n LYS 73 Cb 0.34 -5.32 0.13 0.00 -0.51 0.00 0.00 35.03 29.67 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ds4 n ASP 74 N -1.91 4.11 0.00 4.39 2.03 -1.26 -3.16 116.55 120.75 2ds4 n ASP 74 Ca -0.16 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.37 2ds4 n ASP 74 Cb 0.62 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ds4 n GLY 75 N -0.97 3.06 3.45 0.27 0.00 -1.26 -4.84 105.19 104.90 2ds4 n GLY 75 Ca 0.42 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.07 0.67 0.25 2.61 -4.23 -1.26 -3.24 115.64 109.37 2ds4 s THR 76 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2ds4 s THR 76 Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 2ds4 s THR 76 CO 0.00 0.00 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.72 2ds4 s TYR 77 N -3.34 1.75 -0.30 3.99 1.51 -1.11 -4.12 117.35 115.73 2ds4 s TYR 77 Ca 0.30 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 2ds4 s TYR 77 Cb 0.05 -0.98 0.09 0.00 -0.11 0.00 0.00 41.96 41.00 2ds4 s TYR 77 CO 0.15 0.17 0.02 -0.47 -1.11 0.00 0.00 175.55 174.32 2ds4 s TYR 78 N -3.17 2.99 -0.07 2.71 5.04 -1.19 -3.04 117.35 120.62 2ds4 s TYR 78 Ca 0.28 -2.41 -0.02 0.00 -2.44 0.00 0.00 57.07 52.48 2ds4 s TYR 78 Cb 0.04 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 2ds4 s TYR 78 CO 0.10 -0.89 0.02 0.42 -1.34 0.00 0.00 175.55 173.86 2ds4 s ILE 79 N 1.18 4.44 -0.03 3.14 1.01 -1.17 -1.20 121.20 128.57 2ds4 s ILE 79 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2ds4 s ILE 79 Cb -0.19 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.38 2ds4 s ILE 79 CO -0.11 0.54 0.11 -0.44 0.00 0.00 0.00 174.94 175.04 2ds4 s SER 80 N -1.11 -0.06 0.01 3.58 0.01 -0.31 -2.22 113.70 113.60 2ds4 s SER 80 Ca 0.16 0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.46 2ds4 s SER 80 Cb -0.11 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 2ds4 s SER 80 CO 0.05 -0.13 0.07 -0.72 0.41 0.00 0.00 173.24 172.93 2ds4 s TYR 81 N -0.35 0.13 -0.24 2.43 -0.85 -0.79 -0.40 117.35 117.27 2ds4 s TYR 81 Ca -0.04 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.18 2ds4 s TYR 81 Cb -0.03 -0.11 0.08 0.00 0.38 0.00 0.00 41.96 42.28 2ds4 s TYR 81 CO 0.00 -0.26 0.08 0.99 -1.52 0.00 0.00 175.55 174.85 2ds4 s THR 82 N -1.49 0.39 0.46 -3.49 2.01 -1.02 -1.58 115.64 110.92 2ds4 s THR 82 Ca -0.15 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.86 2ds4 s THR 82 Cb -0.08 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 2ds4 s THR 82 CO 0.00 -0.46 1.16 -2.16 -0.69 0.00 0.00 174.62 172.48 2ds4 s PRO 83 N 1.89 3.73 -0.20 4.92 0.04 -1.26 -4.22 135.00 139.91 2ds4 s PRO 83 Ca 0.04 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 2ds4 s PRO 83 Cb -0.17 -2.38 -0.20 0.00 0.04 0.00 0.00 34.50 31.80 2ds4 s PRO 83 CO -0.19 -0.57 0.15 1.63 0.04 0.00 0.00 177.00 178.05 2ds4 n LYS 84 N -0.54 0.62 -4.40 4.56 4.01 -1.26 -1.43 118.16 119.72 2ds4 n LYS 84 Ca 0.08 0.44 -0.27 0.00 -0.51 0.00 0.00 58.31 58.04 2ds4 n LYS 84 Cb 0.48 -1.69 -0.12 0.00 -0.51 0.00 0.00 35.03 33.19 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2ds4 s GLU 85 N -2.44 1.59 0.75 1.97 -1.05 -1.26 -4.45 118.70 113.82 2ds4 s GLU 85 Ca -0.29 -1.46 -0.11 0.00 -0.15 0.00 0.00 54.97 52.96 2ds4 s GLU 85 Cb 0.07 -1.90 0.05 0.00 -0.44 0.00 0.00 34.13 31.91 2ds4 s GLU 85 CO 0.62 0.41 1.10 -1.25 0.95 0.00 0.00 175.26 177.09 2ds4 s PRO 86 N -2.61 2.34 0.00 -4.83 0.04 -1.26 -4.93 135.00 123.75 2ds4 s PRO 86 Ca 0.20 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2ds4 s PRO 86 Cb -0.08 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ds4 s PRO 86 CO 0.10 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2ds4 n GLY 87 N -1.08 0.94 3.73 0.56 0.00 -0.54 -4.99 105.19 103.81 2ds4 n GLY 87 Ca 0.09 -2.02 -0.39 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 -1.18 5.06 0.45 1.61 0.11 -1.26 -1.11 120.40 124.08 2ds4 s VAL 88 Ca 0.00 1.24 0.05 0.00 -2.93 0.00 0.00 61.98 60.34 2ds4 s VAL 88 Cb 0.00 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 2ds4 s VAL 88 CO 0.00 0.31 0.02 -0.31 -3.33 0.00 0.00 175.10 171.80 2ds4 s TYR 89 N 0.52 2.26 -0.20 1.54 1.51 0.56 -1.26 117.35 122.27 2ds4 s TYR 89 Ca 0.32 -0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 2ds4 s TYR 89 Cb -0.17 -1.73 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2ds4 s TYR 89 CO 0.15 0.34 0.01 0.99 -1.11 0.00 0.00 175.55 175.93 2ds4 s THR 90 N -2.77 0.78 -0.55 -0.71 2.01 0.06 0.03 115.64 114.50 2ds4 s THR 90 Ca 0.24 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.27 2ds4 s THR 90 Cb 0.06 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.39 2ds4 s THR 90 CO 0.13 -0.17 1.06 -0.69 -0.69 0.00 0.00 174.62 174.26 2ds4 s VAL 91 N 1.74 4.23 -0.66 3.82 1.01 0.13 -2.46 120.40 128.20 2ds4 s VAL 91 Ca -0.02 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 2ds4 s VAL 91 Cb -0.17 -4.61 0.06 0.00 0.00 0.00 0.00 36.38 31.65 2ds4 s VAL 91 CO -0.07 -1.17 1.02 0.26 0.00 0.00 0.00 175.10 175.14 2ds4 s TRP 92 N 4.39 2.61 -0.39 5.22 0.52 0.12 -3.01 118.94 128.40 2ds4 s TRP 92 Ca 0.38 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 56.03 2ds4 s TRP 92 Cb -0.10 -4.34 0.08 0.00 -1.15 0.00 0.00 33.47 27.96 2ds4 s TRP 92 CO 0.24 -1.70 0.20 0.08 0.02 0.00 0.00 176.95 175.78 2ds4 s VAL 93 N 4.38 3.79 0.00 4.03 1.01 -1.26 -2.16 120.40 130.19 2ds4 s VAL 93 Ca 0.25 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.73 2ds4 s VAL 93 Cb -0.15 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2ds4 s VAL 93 CO 0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 175.10 174.68 2ds4 s ILE 95 N -0.34 2.50 -1.36 0.00 1.01 0.22 -0.74 121.20 122.49 2ds4 s ILE 95 Ca 0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2ds4 s ILE 95 Cb -0.04 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.41 2ds4 s ILE 95 CO -0.00 0.52 0.99 0.29 0.00 0.00 0.00 174.94 176.74 2ds4 n LYS 96 N 4.15 -6.39 -3.34 2.79 5.02 -0.66 -1.95 118.16 117.78 2ds4 n LYS 96 Ca -0.19 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.64 2ds4 n LYS 96 Cb 0.51 -5.63 0.07 0.00 -0.02 0.00 0.00 35.03 29.96 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 -4.57 -6.20 -3.78 1.97 1.02 -1.26 -5.02 120.64 102.80 2ds4 n GLU 97 Ca -0.12 0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2ds4 n GLU 97 Cb 0.60 -5.20 -0.12 0.00 -0.02 0.00 0.00 31.44 26.70 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 -5.88 0.29 0.22 3.49 -0.21 -0.82 -5.14 119.66 111.60 2ds4 s GLN 98 Ca 0.39 0.38 -0.29 0.00 0.02 0.00 0.00 55.36 55.86 2ds4 s GLN 98 Cb -0.17 0.11 -0.09 0.00 1.00 0.00 0.00 33.01 33.86 2ds4 s GLN 98 CO 0.58 -0.05 0.91 -1.01 -2.12 0.00 0.00 175.29 173.60 2ds4 s HIS 99 N 0.31 3.97 0.75 0.91 3.76 -1.26 0.71 115.29 124.43 2ds4 s HIS 99 Ca -0.01 1.87 -0.00 0.00 -0.15 0.00 0.00 55.06 56.76 2ds4 s HIS 99 Cb -0.03 -2.95 0.15 0.00 1.11 0.00 0.00 32.58 30.86 2ds4 s HIS 99 CO -0.01 0.46 1.03 0.14 -0.85 0.00 0.00 174.74 175.51 2ds4 s VAL 100 N -1.12 2.02 0.75 -0.90 -7.23 -1.16 -3.83 120.40 108.94 2ds4 s VAL 100 Ca 0.40 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 2ds4 s VAL 100 Cb -0.25 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.33 2ds4 s VAL 100 CO 0.31 0.00 1.17 -1.58 -0.31 0.00 0.00 175.10 174.69 2ds4 s GLN 101 N -5.19 2.07 -1.64 4.82 0.74 -1.08 -3.23 119.66 116.14 2ds4 s GLN 101 Ca 0.68 1.60 -0.07 0.00 0.05 0.00 0.00 55.36 57.62 2ds4 s GLN 101 Cb -0.04 -1.84 0.07 0.00 1.10 0.00 0.00 33.01 32.30 2ds4 s GLN 101 CO 0.45 -1.85 0.21 0.41 -0.55 0.00 0.00 175.29 173.95 2ds4 n GLY 102 N 0.05 -0.21 3.51 2.59 0.00 -1.26 -4.90 105.19 104.96 2ds4 n GLY 102 Ca 0.12 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.04 -0.63 0.71 1.61 0.01 -1.20 -4.30 113.70 105.85 2ds4 s SER 103 Ca 0.26 0.59 -0.13 0.00 1.31 0.00 0.00 55.95 57.97 2ds4 s SER 103 Cb -0.15 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2ds4 s SER 103 CO 1.00 -0.65 1.10 -2.16 0.41 0.00 0.00 173.24 172.94 2ds4 s PRO 104 N -1.59 2.57 0.10 12.44 0.04 -1.26 -4.58 135.00 142.71 2ds4 s PRO 104 Ca -0.09 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.34 2ds4 s PRO 104 Cb -0.00 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2ds4 s PRO 104 CO 0.06 -1.42 -0.21 -0.59 0.04 0.00 0.00 177.00 174.88 2ds4 s PHE 105 N -2.57 1.83 0.50 0.56 -0.12 -1.16 -4.97 117.98 112.04 2ds4 s PHE 105 Ca 0.65 -0.41 -0.09 0.00 -0.05 0.00 0.00 56.93 57.02 2ds4 s PHE 105 Cb -0.19 -1.01 -0.05 0.00 -0.63 0.00 0.00 43.02 41.14 2ds4 s PHE 105 CO 0.48 0.20 0.86 0.95 -0.05 0.00 0.00 175.22 177.66 2ds4 s THR 106 N -1.11 4.79 -0.04 -4.49 -4.23 -1.26 -0.69 115.64 108.61 2ds4 s THR 106 Ca 0.07 0.59 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2ds4 s THR 106 Cb -0.10 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.94 2ds4 s THR 106 CO 0.04 -0.81 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.51 2ds4 s VAL 107 N -2.73 0.94 -0.53 2.29 1.01 0.10 -4.68 120.40 116.79 2ds4 s VAL 107 Ca 0.52 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2ds4 s VAL 107 Cb -0.10 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.53 2ds4 s VAL 107 CO 0.42 0.30 0.55 -0.89 0.00 0.00 0.00 175.10 175.47 2ds4 s THR 108 N 0.40 5.06 -0.18 3.92 2.01 -1.09 -0.32 115.64 125.44 2ds4 s THR 108 Ca -0.08 -1.09 -0.15 0.00 0.31 0.00 0.00 61.69 60.69 2ds4 s THR 108 Cb -0.12 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2ds4 s THR 108 CO 0.02 -0.85 0.36 -0.69 -0.69 0.00 0.00 174.62 172.77 2ds4 s VAL 109 N 2.06 5.24 0.52 3.82 1.01 -0.27 -0.67 120.40 132.11 2ds4 s VAL 109 Ca 0.07 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.77 2ds4 s VAL 109 Cb -0.25 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2ds4 s VAL 109 CO 0.06 0.30 0.71 -0.13 0.00 0.00 0.00 175.10 176.05 2ds4 s ARG 110 N 0.99 2.52 0.12 2.72 0.52 -0.65 -1.47 118.95 123.71 2ds4 s ARG 110 Ca 0.18 -1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 53.94 2ds4 s ARG 110 Cb -0.14 -2.63 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 2ds4 s ARG 110 CO 0.07 -0.63 0.69 1.03 0.02 0.00 0.00 175.30 176.47 2ds4 s ARG 111 N -4.60 4.41 0.75 3.54 0.52 -1.26 0.14 118.95 122.45 2ds4 s ARG 111 Ca 0.58 0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 56.70 2ds4 s ARG 111 Cb -0.09 -3.26 0.10 0.00 0.52 0.00 0.00 34.95 32.23 2ds4 s ARG 111 CO 0.37 0.59 1.06 -1.59 0.02 0.00 0.00 175.30 175.74 2ds4 s LYS 112 N -1.08 1.81 0.00 3.54 0.00 -1.26 -4.76 119.74 117.98 2ds4 s LYS 112 Ca 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 55.97 55.81 2ds4 s LYS 112 Cb -0.21 -2.16 0.00 0.00 0.00 0.00 0.00 37.83 35.46 2ds4 s LYS 112 CO 0.23 -1.48 0.31 1.58 0.00 0.00 0.00 175.35 175.98