#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5r n SER 2 N 0.00 -1.14 0.09 1.61 2.88 -1.26 -4.98 113.62 110.82 1x5r n SER 2 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x5r n SER 2 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 1x5r n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5r n SER 3 N -3.23 0.23 -0.80 -3.46 2.88 -1.26 -5.15 113.62 102.84 1x5r n SER 3 Ca 0.07 0.30 0.07 0.00 -1.33 0.00 0.00 58.87 57.98 1x5r n SER 3 Cb 0.54 0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 1x5r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 4 N 2.19 -0.93 3.64 0.46 0.00 -1.26 -5.01 105.19 104.28 1x5r n GLY 4 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1x5r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5r s SER 5 N -4.53 -0.04 0.19 1.61 0.15 -1.26 -5.09 113.70 104.73 1x5r s SER 5 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1x5r s SER 5 Cb 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1x5r s SER 5 CO 0.00 -0.06 0.00 -1.20 1.20 0.00 0.00 173.24 173.18 1x5r n SER 6 N 0.25 -0.32 0.00 5.45 7.64 -1.26 -5.13 113.62 120.26 1x5r n SER 6 Ca 0.02 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1x5r n SER 6 Cb 0.58 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1x5r n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5r n GLY 7 N 1.28 1.00 0.00 0.23 0.00 -1.26 -4.98 105.19 101.46 1x5r n GLY 7 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1x5r n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 8 N 0.00 6.07 3.63 -0.02 0.00 -1.26 -5.17 105.19 108.44 1x5r n GLY 8 Ca 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 1x5r n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5r s GLY 9 N 0.00 -0.63 0.12 -0.02 0.00 -1.26 -5.17 107.32 100.36 1x5r s GLY 9 Ca 0.00 2.46 0.02 0.00 0.00 0.00 0.00 44.72 47.20 1x5r s GLY 9 CO 0.00 2.83 0.21 -0.86 0.00 0.00 0.00 173.10 175.28 1x5r s GLN 10 N 2.36 3.27 -0.11 2.90 -2.07 -1.26 -5.09 119.66 119.67 1x5r s GLN 10 Ca -0.07 -0.61 -0.17 0.00 -1.82 0.00 0.00 55.36 52.69 1x5r s GLN 10 Cb -0.09 -2.90 -0.05 0.00 -1.09 0.00 0.00 33.01 28.89 1x5r s GLN 10 CO -0.19 0.55 0.42 0.42 -1.32 0.00 0.00 175.29 175.17 1x5r s ILE 11 N -1.63 5.19 0.15 3.63 1.01 -1.26 -5.04 121.20 123.25 1x5r s ILE 11 Ca 0.33 0.84 -0.25 0.00 0.00 0.00 0.00 60.65 61.57 1x5r s ILE 11 Cb -0.12 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1x5r s ILE 11 CO 0.27 0.38 1.00 0.54 0.00 0.00 0.00 174.94 177.13 1x5r s VAL 12 N 0.31 0.00 0.51 2.92 0.11 -1.26 -5.15 120.40 117.84 1x5r s VAL 12 Ca 0.23 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1x5r s VAL 12 Cb -0.15 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1x5r s VAL 12 CO 0.09 0.00 0.00 1.41 -3.33 0.00 0.00 175.10 173.27 1x5r n HIS 13 N -0.52 -3.98 -2.72 1.54 8.25 -1.26 -4.98 115.22 111.55 1x5r n HIS 13 Ca -0.06 2.14 -0.20 0.00 -0.26 0.00 0.00 57.72 59.34 1x5r n HIS 13 Cb 0.61 -3.33 0.04 0.00 1.12 0.00 0.00 29.99 28.43 1x5r n HIS 13 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1x5r s THR 14 N -4.34 2.67 0.12 1.59 2.01 -1.26 -5.05 115.64 111.37 1x5r s THR 14 Ca 0.00 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1x5r s THR 14 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1x5r s THR 14 CO 0.00 0.00 0.27 -1.61 -0.69 0.00 0.00 174.62 172.59 1x5r s GLU 15 N -4.71 3.46 0.02 4.92 8.01 0.84 -4.97 118.70 126.28 1x5r s GLU 15 Ca 0.58 -0.46 0.02 0.00 0.01 0.00 0.00 54.97 55.12 1x5r s GLU 15 Cb -0.10 -2.97 -0.02 0.00 -4.31 0.00 0.00 34.13 26.73 1x5r s GLU 15 CO 0.38 0.54 -0.08 0.95 0.01 0.00 0.00 175.26 177.06 1x5r s THR 16 N -1.65 0.58 -0.02 3.63 -4.23 -1.26 -1.69 115.64 110.99 1x5r s THR 16 Ca 0.36 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 1x5r s THR 16 Cb -0.12 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 1x5r s THR 16 CO 0.28 -0.13 -0.16 0.28 -0.54 0.00 0.00 174.62 174.36 1x5r s THR 17 N -0.81 1.27 -0.31 3.99 -1.32 -0.88 -4.96 115.64 112.62 1x5r s THR 17 Ca -0.04 -0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 59.68 1x5r s THR 17 Cb -0.07 -1.08 -0.01 0.00 -1.51 0.00 0.00 72.50 69.83 1x5r s THR 17 CO 0.00 0.37 0.16 -0.70 -2.21 0.00 0.00 174.62 172.24 1x5r s GLU 18 N -0.17 3.42 -0.14 7.08 2.12 -1.26 -1.99 118.70 127.77 1x5r s GLU 18 Ca 0.02 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 1x5r s GLU 18 Cb -0.08 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1x5r s GLU 18 CO 0.00 -0.38 0.12 0.08 -0.54 0.00 0.00 175.26 174.54 1x5r s VAL 19 N 1.64 5.29 -0.26 3.70 1.01 0.76 -4.91 120.40 127.63 1x5r s VAL 19 Ca 0.05 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1x5r s VAL 19 Cb -0.17 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1x5r s VAL 19 CO 0.07 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 174.96 1x5r s VAL 20 N -0.65 2.07 -0.01 2.92 1.01 -1.26 -0.99 120.40 123.50 1x5r s VAL 20 Ca 0.13 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1x5r s VAL 20 Cb -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1x5r s VAL 20 CO 0.02 -0.08 0.05 -0.76 0.00 0.00 0.00 175.10 174.33 1x5r s LEU 21 N 1.13 3.77 -0.19 3.92 1.43 -0.94 -4.94 118.68 122.88 1x5r s LEU 21 Ca -0.07 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1x5r s LEU 21 Cb -0.20 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 43.90 1x5r s LEU 21 CO -0.06 0.28 -0.04 0.00 0.23 0.00 0.00 176.35 176.76 1x5r n GLY 23 N 4.85 2.85 3.93 0.00 0.00 -1.24 -4.94 105.19 110.64 1x5r n GLY 23 Ca -0.12 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 1x5r n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5r s ASP 24 N -2.88 5.42 0.38 1.61 1.11 -1.14 -4.27 116.67 116.91 1x5r s ASP 24 Ca 0.30 0.48 0.20 0.00 0.18 0.00 0.00 52.55 53.71 1x5r s ASP 24 Cb 0.01 -1.43 0.56 0.00 1.07 0.00 0.00 42.92 43.13 1x5r s ASP 24 CO 0.21 -1.12 1.67 1.55 1.18 0.00 0.00 175.17 178.66 1x5r h PRO 25 N -0.13 0.00 0.03 8.23 0.13 -1.84 0.14 132.00 138.56 1x5r h PRO 25 Ca -0.45 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1x5r h PRO 25 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1x5r h PRO 25 CO 0.59 0.32 -1.72 1.28 -0.23 0.00 0.00 178.00 178.24 1x5r n LEU 26 N -3.33 2.11 0.00 1.56 4.77 -1.26 -4.03 117.00 116.82 1x5r n LEU 26 Ca 0.01 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1x5r n LEU 26 Cb 0.55 -0.97 0.70 0.00 -2.33 0.00 0.00 43.42 41.38 1x5r n LEU 26 CO 0.36 0.49 0.94 -0.24 -1.33 0.00 0.00 177.39 177.61 1x5r n SER 27 N -4.13 0.00 0.00 -1.43 2.88 -1.24 -4.93 113.62 104.76 1x5r n SER 27 Ca -0.37 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1x5r n SER 27 Cb 0.81 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1x5r n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 28 N 0.76 2.82 0.00 0.46 0.00 0.49 -4.60 105.19 105.13 1x5r n GLY 28 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1x5r n GLY 28 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x5r n PHE 29 N 9.69 0.00 0.00 1.61 3.72 -1.26 -2.88 117.46 128.34 1x5r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x5r n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N 1.01 -0.96 3.64 1.37 0.00 -1.26 -4.04 105.19 104.94 1x5r n GLY 30 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1x5r n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x5r s LEU 31 N 0.00 -0.82 -0.09 0.99 0.05 -1.26 -2.78 118.68 114.77 1x5r s LEU 31 Ca 0.00 1.37 -0.00 0.00 0.05 0.00 0.00 54.13 55.55 1x5r s LEU 31 Cb 0.00 2.28 -0.03 0.00 -2.05 0.00 0.00 46.19 46.39 1x5r s LEU 31 CO 0.00 -0.22 -0.06 -1.10 -0.55 0.00 0.00 176.35 174.41 1x5r s GLN 32 N 1.28 2.94 0.10 1.48 -1.52 0.33 -4.97 119.66 119.29 1x5r s GLN 32 Ca -0.07 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1x5r s GLN 32 Cb -0.05 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.05 1x5r s GLN 32 CO -0.14 0.58 0.25 -0.51 -0.25 0.00 0.00 175.29 175.21 1x5r s LEU 33 N -0.57 4.34 -0.11 2.90 1.43 -1.26 0.12 118.68 125.53 1x5r s LEU 33 Ca 0.09 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1x5r s LEU 33 Cb -0.12 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1x5r s LEU 33 CO 0.02 0.12 -0.10 -1.58 0.23 0.00 0.00 176.35 175.03 1x5r s GLN 34 N -2.78 1.74 0.00 1.70 0.74 0.53 -4.37 119.66 117.22 1x5r s GLN 34 Ca 0.35 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1x5r s GLN 34 Cb -0.12 -1.65 0.00 0.00 1.10 0.00 0.00 33.01 32.33 1x5r s GLN 34 CO 0.28 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 1x5r n GLY 35 N 4.61 3.33 3.50 2.59 0.00 -1.26 -0.79 105.19 117.18 1x5r n GLY 35 Ca -0.16 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1x5r n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 36 N 0.00 -1.46 0.10 -0.02 0.00 -1.26 -4.96 105.19 97.59 1x5r n GLY 36 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1x5r n GLY 36 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x5r h ILE 37 N -1.93 1.32 -1.44 -0.61 5.03 -2.01 -3.42 117.51 114.44 1x5r h ILE 37 Ca -0.47 -2.33 -0.48 0.00 -0.12 0.00 0.00 64.86 61.46 1x5r h ILE 37 Cb 1.29 2.86 -0.07 0.00 -3.03 0.00 0.00 36.82 37.88 1x5r h ILE 37 CO 0.40 0.56 1.16 -0.36 -0.68 0.00 0.00 178.15 179.22 1x5r s PHE 38 N -2.35 2.09 0.18 1.37 0.40 -1.26 -4.85 117.98 113.55 1x5r s PHE 38 Ca -0.22 0.09 -0.26 0.00 -0.60 0.00 0.00 56.93 55.94 1x5r s PHE 38 Cb 0.02 -4.37 0.03 0.00 0.51 0.00 0.00 43.02 39.21 1x5r s PHE 38 CO 0.70 -1.99 1.55 0.00 0.70 0.00 0.00 175.22 176.18 1x5r h ALA 39 N 11.35 -0.34 -0.28 5.36 0.00 -1.98 -3.16 119.26 130.21 1x5r h ALA 39 Ca -0.03 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1x5r h ALA 39 Cb 1.05 1.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 1x5r h ALA 39 CO 1.29 -0.86 0.36 0.95 0.00 0.00 0.00 179.25 181.00 1x5r s THR 40 N -5.72 3.19 0.00 0.00 -4.23 -1.26 -3.19 115.64 104.43 1x5r s THR 40 Ca -0.13 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1x5r s THR 40 Cb 0.14 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1x5r s THR 40 CO 0.65 -0.36 0.00 -0.62 -0.54 0.00 0.00 174.62 173.76 1x5r n GLU 41 N 8.34 0.00 -0.90 3.99 -0.58 -1.19 -5.07 120.64 125.23 1x5r n GLU 41 Ca 0.43 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.83 1x5r n GLU 41 Cb 0.46 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.44 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1x5r n THR 42 N -0.01 0.49 -3.80 2.62 -1.04 -1.26 -3.34 114.28 107.94 1x5r n THR 42 Ca 0.00 -0.23 -0.37 0.00 -2.04 0.00 0.00 64.05 61.42 1x5r n THR 42 Cb 0.00 -0.69 -0.13 0.00 -1.82 0.00 0.00 70.33 67.69 1x5r n THR 42 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x5r s LEU 43 N -1.38 3.87 0.41 -4.42 1.43 0.46 -4.81 118.68 114.24 1x5r s LEU 43 Ca 0.60 -0.87 0.21 0.00 -1.03 0.00 0.00 54.13 53.04 1x5r s LEU 43 Cb -0.24 -1.84 0.85 0.00 0.03 0.00 0.00 46.19 44.99 1x5r s LEU 43 CO 0.64 -0.22 1.81 0.28 0.23 0.00 0.00 176.35 179.09 1x5r h SER 44 N 8.19 0.00 -4.47 2.29 0.02 -1.90 -3.38 113.55 114.30 1x5r h SER 44 Ca -0.29 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.38 1x5r h SER 44 Cb 1.11 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.50 1x5r h SER 44 CO 0.60 0.30 -0.67 -0.94 -1.14 0.00 0.00 176.83 174.97 1x5r s SER 45 N -6.37 1.26 0.29 3.07 1.04 -1.26 -4.97 113.70 106.76 1x5r s SER 45 Ca -0.00 -1.14 -0.29 0.00 0.48 0.00 0.00 55.95 55.00 1x5r s SER 45 Cb 0.11 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 1x5r s SER 45 CO 0.66 -0.54 1.08 -2.16 0.98 0.00 0.00 173.24 173.26 1x5r s PRO 46 N -3.89 4.59 0.25 4.02 0.04 -1.26 -4.67 135.00 134.08 1x5r s PRO 46 Ca 0.22 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1x5r s PRO 46 Cb 0.06 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1x5r s PRO 46 CO 0.03 0.19 1.09 -1.25 0.04 0.00 0.00 177.00 177.10 1x5r s PRO 47 N -1.58 4.65 0.50 0.56 0.04 -1.25 -4.69 135.00 133.22 1x5r s PRO 47 Ca 0.46 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1x5r s PRO 47 Cb -0.30 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1x5r s PRO 47 CO 0.38 0.20 0.76 -0.51 0.04 0.00 0.00 177.00 177.88 1x5r s LEU 48 N -1.18 3.52 -0.93 -3.56 1.43 0.03 -1.83 118.68 116.16 1x5r s LEU 48 Ca 0.45 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.85 1x5r s LEU 48 Cb -0.31 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1x5r s LEU 48 CO 0.39 -0.79 1.68 -0.69 0.23 0.00 0.00 176.35 177.16 1x5r s VAL 49 N -2.72 3.67 0.10 -1.59 1.01 -0.75 0.20 120.40 120.31 1x5r s VAL 49 Ca 0.50 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1x5r s VAL 49 Cb -0.10 -4.53 -0.13 0.00 0.00 0.00 0.00 36.38 31.62 1x5r s VAL 49 CO 0.41 -1.45 1.50 0.00 0.00 0.00 0.00 175.10 175.56 1x5r s PHE 51 N -5.46 0.77 0.01 0.00 5.36 -1.18 -4.87 117.98 112.61 1x5r s PHE 51 Ca -0.14 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 1x5r s PHE 51 Cb 0.06 -0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.51 1x5r s PHE 51 CO 0.54 -0.79 -0.02 0.42 -1.46 0.00 0.00 175.22 173.91 1x5r s ILE 52 N -4.09 0.14 0.20 3.12 1.01 -1.26 0.12 121.20 120.45 1x5r s ILE 52 Ca 0.30 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1x5r s ILE 52 Cb 0.04 -0.20 -0.08 0.00 0.01 0.00 0.00 42.46 42.23 1x5r s ILE 52 CO 0.10 -0.20 1.04 -1.61 0.00 0.00 0.00 174.94 174.26 1x5r s GLU 53 N -0.70 4.68 -0.06 2.79 2.02 -1.12 -4.95 118.70 121.37 1x5r s GLU 53 Ca -0.06 1.64 -0.30 0.00 0.02 0.00 0.00 54.97 56.26 1x5r s GLU 53 Cb -0.05 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1x5r s GLU 53 CO -0.00 0.23 1.22 -1.25 0.02 0.00 0.00 175.26 175.48 1x5r s PRO 54 N -0.72 4.33 -0.08 0.39 0.04 -1.26 -2.31 135.00 135.39 1x5r s PRO 54 Ca 0.46 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1x5r s PRO 54 Cb -0.28 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1x5r s PRO 54 CO 0.35 -0.49 0.00 -3.47 0.04 0.00 0.00 177.00 173.43 1x5r n ASP 55 N 5.37 -3.47 -4.12 6.66 2.03 -1.26 -5.02 116.55 116.74 1x5r n ASP 55 Ca 0.11 0.02 -0.30 0.00 0.52 0.00 0.00 54.79 55.15 1x5r n ASP 55 Cb 0.46 -1.04 0.19 0.00 -0.72 0.00 0.00 41.12 40.01 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1x5r s SER 56 N -2.21 3.04 0.02 1.67 1.04 -0.98 -4.87 113.70 111.40 1x5r s SER 56 Ca 0.00 0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 1x5r s SER 56 Cb 0.00 -0.33 -0.22 0.00 0.10 0.00 0.00 66.02 65.58 1x5r s SER 56 CO 0.00 -2.78 1.14 1.55 0.98 0.00 0.00 173.24 174.13 1x5r h PRO 57 N -1.68 0.43 -0.83 4.02 0.13 -1.85 -0.28 132.00 131.95 1x5r h PRO 57 Ca -0.44 -0.42 0.10 0.00 -0.87 0.00 0.00 66.00 64.37 1x5r h PRO 57 Cb 1.24 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 1x5r h PRO 57 CO 0.38 1.07 0.54 0.00 -0.23 0.00 0.00 178.00 179.76 1x5r h ALA 58 N 0.37 1.74 0.13 -0.56 0.00 -1.84 -0.45 119.26 118.65 1x5r h ALA 58 Ca -0.06 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1x5r h ALA 58 Cb 1.23 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1x5r h ALA 58 CO 0.11 0.08 -1.23 1.49 0.00 0.00 0.00 179.25 179.70 1x5r h GLU 59 N 0.77 0.41 -0.95 0.00 4.57 -1.75 -3.25 114.58 114.37 1x5r h GLU 59 Ca 0.39 -0.61 0.13 0.00 -1.18 0.00 0.00 59.36 58.09 1x5r h GLU 59 Cb 0.47 0.21 -0.08 0.00 -0.16 0.00 0.00 28.75 29.20 1x5r h GLU 59 CO -0.16 1.27 0.60 0.00 -1.18 0.00 0.00 179.01 179.54 1x5r h ARG 60 N 0.15 0.84 0.00 1.92 3.08 0.53 0.62 114.38 121.52 1x5r h ARG 60 Ca -0.16 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1x5r h ARG 60 Cb 1.92 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.78 1x5r h ARG 60 CO 0.22 0.55 -0.16 0.00 -1.07 0.00 0.00 179.97 179.51 1x5r n GLY 62 N -0.97 1.23 0.45 0.00 0.00 0.22 -4.56 105.19 101.55 1x5r n GLY 62 Ca -0.02 -0.01 0.32 0.00 0.00 0.00 0.00 46.02 46.31 1x5r n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x5r h LEU 63 N 0.00 0.30 -9.34 0.99 3.38 -1.84 -3.36 115.31 105.45 1x5r h LEU 63 Ca 0.00 0.12 -0.55 0.00 0.09 0.00 0.00 57.88 57.54 1x5r h LEU 63 Cb 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1x5r h LEU 63 CO 0.00 -0.09 0.45 -0.22 0.09 0.00 0.00 178.44 178.67 1x5r s LEU 64 N -9.49 4.31 0.21 1.67 0.20 -1.26 -5.01 118.68 109.31 1x5r s LEU 64 Ca -0.08 1.58 -0.18 0.00 0.69 0.00 0.00 54.13 56.14 1x5r s LEU 64 Cb 0.28 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 42.52 1x5r s LEU 64 CO 0.81 -0.34 0.56 -1.10 -0.29 0.00 0.00 176.35 175.99 1x5r s GLN 65 N 1.47 1.46 0.31 1.98 -0.21 -1.26 -4.67 119.66 118.75 1x5r s GLN 65 Ca 0.50 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 1x5r s GLN 65 Cb -0.20 0.54 -0.11 0.00 1.00 0.00 0.00 33.01 34.24 1x5r s GLN 65 CO 0.23 -0.63 1.58 0.08 -2.12 0.00 0.00 175.29 174.43 1x5r s VAL 66 N -3.89 2.05 0.00 1.09 1.01 -1.26 -1.84 120.40 117.57 1x5r s VAL 66 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1x5r s VAL 66 Cb -0.02 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1x5r s VAL 66 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1x5r n GLY 67 N 1.91 2.88 3.52 4.51 0.00 -1.18 -4.90 105.19 111.93 1x5r n GLY 67 Ca 0.07 -0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.47 1x5r n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5r n ASP 68 N 0.16 0.43 -4.66 1.61 8.00 -0.77 -4.46 116.55 116.86 1x5r n ASP 68 Ca 0.00 1.16 -0.37 0.00 0.71 0.00 0.00 54.79 56.29 1x5r n ASP 68 Cb 0.00 -1.16 -0.09 0.00 -0.02 0.00 0.00 41.12 39.85 1x5r n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x5r s ARG 69 N -1.18 4.10 -0.41 -1.24 3.00 -1.26 -1.81 118.95 120.14 1x5r s ARG 69 Ca 0.63 -0.11 -0.18 0.00 0.00 0.00 0.00 55.73 56.07 1x5r s ARG 69 Cb -0.81 -3.54 0.02 0.00 0.00 0.00 0.00 34.95 30.61 1x5r s ARG 69 CO 0.58 0.01 0.50 0.08 0.00 0.00 0.00 175.30 176.47 1x5r s VAL 70 N 1.18 5.01 -0.10 3.52 1.01 -0.76 -3.13 120.40 127.13 1x5r s VAL 70 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1x5r s VAL 70 Cb -0.14 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1x5r s VAL 70 CO 0.06 -0.42 0.27 -0.07 0.00 0.00 0.00 175.10 174.94 1x5r h LEU 71 N 9.22 -0.05 -8.79 3.92 3.38 -1.33 -3.32 115.31 118.33 1x5r h LEU 71 Ca -0.27 -0.23 -0.32 0.00 0.09 0.00 0.00 57.88 57.16 1x5r h LEU 71 Cb 1.11 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1x5r h LEU 71 CO 0.81 0.55 -0.63 -0.94 0.09 0.00 0.00 178.44 178.32 1x5r s SER 72 N -5.63 1.10 -0.12 -0.43 1.04 -1.25 -0.00 113.70 108.40 1x5r s SER 72 Ca -0.05 -1.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.02 1x5r s SER 72 Cb -0.01 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.33 1x5r s SER 72 CO 0.19 -0.69 0.08 -0.63 0.98 0.00 0.00 173.24 173.17 1x5r s ILE 73 N -3.76 -0.07 0.00 -1.02 1.01 0.48 -2.86 121.20 114.97 1x5r s ILE 73 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1x5r s ILE 73 Cb 0.07 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1x5r s ILE 73 CO 0.11 -0.11 0.00 0.59 0.00 0.00 0.00 174.94 175.52 1x5r n ASN 74 N 5.28 -1.02 0.00 3.58 4.13 0.16 -2.10 115.26 125.29 1x5r n ASN 74 Ca -0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.20 1x5r n ASN 74 Cb 0.49 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x5r n GLY 75 N -2.05 0.91 3.69 7.41 0.00 -1.26 -4.91 105.19 108.97 1x5r n GLY 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x5r n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5r s ILE 76 N -2.00 5.21 0.08 -0.61 -1.09 -0.89 -5.02 121.20 116.87 1x5r s ILE 76 Ca 0.00 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 1x5r s ILE 76 Cb 0.00 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.44 1x5r s ILE 76 CO 0.00 0.43 1.17 0.00 -1.23 0.00 0.00 174.94 175.31 1x5r s ALA 77 N 0.50 3.37 0.25 9.38 0.00 -1.26 0.18 121.76 134.18 1x5r s ALA 77 Ca 0.06 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1x5r s ALA 77 Cb -0.12 -3.42 0.29 0.00 0.00 0.00 0.00 23.12 19.87 1x5r s ALA 77 CO -0.00 -0.39 1.61 1.79 0.00 0.00 0.00 175.76 178.77 1x5r h THR 78 N 4.39 1.33 0.00 0.00 1.35 -0.70 -2.36 112.91 116.92 1x5r h THR 78 Ca -0.42 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1x5r h THR 78 Cb 1.21 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1x5r h THR 78 CO 0.79 0.51 0.00 -0.33 -0.25 0.00 0.00 175.52 176.25 1x5r h GLU 79 N 0.30 0.00 -0.89 4.72 5.08 -1.73 -2.14 114.58 119.92 1x5r h GLU 79 Ca 0.02 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.77 1x5r h GLU 79 Cb 0.95 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.88 1x5r h GLU 79 CO 0.08 0.00 0.30 -3.47 -1.00 0.00 0.00 179.01 174.92 1x5r n ASP 80 N -2.35 6.38 -0.96 1.42 -0.08 -0.89 -4.35 116.55 115.73 1x5r n ASP 80 Ca 0.01 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.52 1x5r n ASP 80 Cb 0.18 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 42.89 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5r n GLY 81 N -0.88 1.26 3.72 0.27 0.00 -0.80 -4.88 105.19 103.87 1x5r n GLY 81 Ca 0.55 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1x5r n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5r s THR 82 N -2.52 4.12 0.17 2.61 -4.23 -1.26 -0.40 115.64 114.12 1x5r s THR 82 Ca 0.00 -1.08 -0.23 0.00 -1.18 0.00 0.00 61.69 59.20 1x5r s THR 82 Cb 0.00 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.86 1x5r s THR 82 CO 0.00 0.02 1.38 0.80 -0.54 0.00 0.00 174.62 176.28 1x5r n MET 83 N 0.20 -0.32 -0.07 3.99 1.56 -1.19 -0.44 117.12 120.84 1x5r n MET 83 Ca -0.10 1.36 -0.14 0.00 -0.27 0.00 0.00 57.70 58.56 1x5r n MET 83 Cb 0.53 -2.01 -0.09 0.00 2.15 0.00 0.00 33.22 33.80 1x5r n MET 83 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1x5r h GLU 84 N 0.00 -0.44 -0.94 2.12 4.81 -1.90 0.23 114.58 118.46 1x5r h GLU 84 Ca 0.21 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.69 1x5r h GLU 84 Cb 0.43 0.10 -0.18 0.00 0.63 0.00 0.00 28.75 29.73 1x5r h GLU 84 CO -0.86 -0.29 -0.12 0.39 -0.73 0.00 0.00 179.01 177.40 1x5r n GLU 85 N -5.21 -0.08 0.02 1.92 1.02 0.42 0.17 120.64 118.89 1x5r n GLU 85 Ca -0.04 1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 58.43 1x5r n GLU 85 Cb 0.33 -2.21 -0.04 0.00 -0.02 0.00 0.00 31.44 29.51 1x5r n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5r h ALA 86 N 1.88 -0.08 -0.32 0.62 0.00 -0.24 1.17 119.26 122.28 1x5r h ALA 86 Ca 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1x5r h ALA 86 Cb 0.90 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1x5r h ALA 86 CO -0.93 -0.59 0.16 -0.91 0.00 0.00 0.00 179.25 176.97 1x5r h ASN 87 N -0.18 0.42 -0.61 0.00 2.35 0.21 -2.50 115.58 115.28 1x5r h ASN 87 Ca 0.07 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1x5r h ASN 87 Cb 0.27 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1x5r h ASN 87 CO -0.17 0.43 0.37 -0.61 -1.65 0.00 0.00 177.43 175.80 1x5r h GLN 88 N 0.39 0.70 -0.81 0.81 5.75 0.23 -0.36 115.11 121.81 1x5r h GLN 88 Ca 0.11 -0.04 0.16 0.00 -0.15 0.00 0.00 58.65 58.73 1x5r h GLN 88 Cb 0.12 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 1x5r h GLN 88 CO -0.01 0.46 0.54 -0.07 -2.65 0.00 0.00 178.83 177.09 1x5r h LEU 89 N 0.72 0.42 -0.75 -2.39 3.38 0.18 0.68 115.31 117.55 1x5r h LEU 89 Ca 0.25 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 1x5r h LEU 89 Cb 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1x5r h LEU 89 CO -0.12 0.21 -0.61 -0.07 0.09 0.00 0.00 178.44 177.94 1x5r h LEU 90 N 0.44 0.07 0.76 1.67 3.38 -0.67 -1.37 115.31 119.59 1x5r h LEU 90 Ca 0.40 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1x5r h LEU 90 Cb 0.91 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1x5r h LEU 90 CO -0.14 0.66 -0.36 -0.09 0.09 0.00 0.00 178.44 178.60 1x5r h ARG 91 N 0.05 -0.98 -0.36 1.13 2.43 0.11 -1.35 114.38 115.40 1x5r h ARG 91 Ca -0.01 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1x5r h ARG 91 Cb 1.09 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1x5r h ARG 91 CO 0.08 -0.64 0.20 0.22 -1.51 0.00 0.00 179.97 178.32 1x5r h ASP 92 N -1.19 0.30 -0.80 -3.80 1.82 -1.34 -1.64 116.42 109.78 1x5r h ASP 92 Ca -0.10 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 56.74 1x5r h ASP 92 Cb 0.80 -0.05 -0.12 0.00 0.68 0.00 0.00 39.33 40.63 1x5r h ASP 92 CO 0.17 0.22 0.20 0.00 -1.61 0.00 0.00 179.24 178.22 1x5r h ALA 93 N 1.18 1.08 -0.83 -0.78 0.00 -1.21 0.72 119.26 119.41 1x5r h ALA 93 Ca 0.15 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1x5r h ALA 93 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1x5r h ALA 93 CO -0.09 -0.39 0.55 0.00 0.00 0.00 0.00 179.25 179.32 1x5r h ALA 94 N 1.69 1.07 0.00 0.00 0.00 -0.30 0.27 119.26 121.98 1x5r h ALA 94 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x5r h ALA 94 Cb 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x5r h ALA 94 CO -0.58 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.38 1x5r n LEU 95 N -4.53 0.58 -0.17 0.00 4.77 0.24 0.58 117.00 118.48 1x5r n LEU 95 Ca 0.09 0.74 0.11 0.00 -0.03 0.00 0.00 56.01 56.92 1x5r n LEU 95 Cb 0.04 -0.77 0.07 0.00 -2.33 0.00 0.00 43.42 40.44 1x5r n LEU 95 CO 0.35 -0.85 0.27 0.00 -1.33 0.00 0.00 177.39 175.83 1x5r n ALA 96 N -1.77 3.91 -1.10 -1.18 0.00 0.89 -4.92 120.51 116.33 1x5r n ALA 96 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 1x5r n ALA 96 Cb 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1x5r n ALA 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5r n HIS 97 N -0.98 0.00 -3.70 0.00 8.25 0.20 -4.93 115.22 114.06 1x5r n HIS 97 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1x5r n HIS 97 Cb 0.37 -1.65 -0.09 0.00 1.12 0.00 0.00 29.99 29.74 1x5r n HIS 97 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1x5r s LYS 98 N -1.81 0.65 -0.01 -0.41 2.20 -1.10 -3.70 119.74 115.56 1x5r s LYS 98 Ca 0.00 0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.94 1x5r s LYS 98 Cb 0.00 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1x5r s LYS 98 CO 0.00 -0.13 0.16 0.54 -0.36 0.00 0.00 175.35 175.56 1x5r s VAL 99 N -0.31 0.07 -0.15 4.02 0.11 -0.70 -4.39 120.40 119.06 1x5r s VAL 99 Ca -0.05 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1x5r s VAL 99 Cb -0.03 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1x5r s VAL 99 CO 0.03 -0.32 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.58 1x5r s VAL 100 N -1.18 2.12 -0.05 2.04 1.01 -1.25 -2.20 120.40 120.89 1x5r s VAL 100 Ca -0.13 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1x5r s VAL 100 Cb -0.07 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1x5r s VAL 100 CO 0.02 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 174.68 1x5r s LEU 101 N 0.87 2.24 -0.25 3.92 2.01 -0.16 0.40 118.68 127.71 1x5r s LEU 101 Ca -0.06 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.66 1x5r s LEU 101 Cb -0.15 -1.42 0.04 0.00 0.01 0.00 0.00 46.19 44.67 1x5r s LEU 101 CO -0.03 0.28 -0.09 -0.70 1.01 0.00 0.00 176.35 176.82 1x5r s GLU 102 N -0.37 2.59 0.08 1.70 2.12 -1.14 -0.17 118.70 123.52 1x5r s GLU 102 Ca 0.03 -1.13 0.02 0.00 0.36 0.00 0.00 54.97 54.26 1x5r s GLU 102 Cb -0.12 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 1x5r s GLU 102 CO 0.02 -0.46 0.13 0.08 -0.54 0.00 0.00 175.26 174.49 1x5r s VAL 103 N 1.23 4.82 -0.00 3.70 1.01 -0.84 -0.87 120.40 129.45 1x5r s VAL 103 Ca -0.03 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1x5r s VAL 103 Cb -0.18 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1x5r s VAL 103 CO -0.05 0.10 -0.11 -0.70 0.00 0.00 0.00 175.10 174.33 1x5r s GLU 104 N -2.52 2.43 0.00 2.72 2.12 -1.18 -2.08 118.70 120.19 1x5r s GLU 104 Ca 0.31 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1x5r s GLU 104 Cb -0.12 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1x5r s GLU 104 CO 0.24 0.60 0.00 1.97 -0.54 0.00 0.00 175.26 177.53 1x5r n PHE 105 N 1.76 0.00 -3.71 5.30 1.16 -0.68 -4.64 117.46 116.65 1x5r n PHE 105 Ca -0.16 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.04 1x5r n PHE 105 Cb 0.52 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.27 1x5r n PHE 105 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1x5r s ASP 106 N 0.00 5.37 -0.48 5.98 1.01 -1.26 -0.12 116.67 127.17 1x5r s ASP 106 Ca 0.00 -0.82 -0.27 0.00 0.71 0.00 0.00 52.55 52.17 1x5r s ASP 106 Cb 0.00 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1x5r s ASP 106 CO 0.00 -0.26 1.92 -0.55 0.21 0.00 0.00 175.17 176.49 1x5r s SER 107 N 1.51 5.39 0.00 0.27 0.15 -1.26 -4.78 113.70 114.98 1x5r s SER 107 Ca 0.02 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x5r s SER 107 Cb -0.18 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1x5r s SER 107 CO 0.04 -2.19 0.00 0.61 1.20 0.00 0.00 173.24 172.90 1x5r n GLY 108 N 5.64 4.24 3.73 9.45 0.00 -1.26 -5.10 105.19 121.89 1x5r n GLY 108 Ca 0.24 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1x5r n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5r s PRO 109 N -3.02 4.55 0.15 1.61 0.04 -1.26 -5.04 135.00 132.03 1x5r s PRO 109 Ca 0.00 1.75 0.08 0.00 0.04 0.00 0.00 61.00 62.86 1x5r s PRO 109 Cb 0.00 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1x5r s PRO 109 CO 0.00 -0.01 -0.17 -1.12 0.04 0.00 0.00 177.00 175.74 1x5r s SER 110 N 0.13 2.52 0.08 6.66 0.01 -1.26 -5.15 113.70 116.69 1x5r s SER 110 Ca 0.51 -0.84 0.09 0.00 1.31 0.00 0.00 55.95 57.02 1x5r s SER 110 Cb -0.30 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1x5r s SER 110 CO 0.34 -0.05 -0.23 -0.94 0.41 0.00 0.00 173.24 172.77 1x5r s SER 111 N -2.58 2.77 0.00 2.44 1.04 -1.26 -5.31 113.70 110.80 1x5r s SER 111 Ca 0.14 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x5r s SER 111 Cb -0.06 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1x5r s SER 111 CO 0.06 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.04