#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 -3.62 -2.96 1.61 2.88 -1.26 -4.74 113.62 105.53 1x5r n SER 2 Ca 0.00 1.05 -0.11 0.00 -1.33 0.00 0.00 58.87 58.49 1x5r n SER 2 Cb 0.00 -3.83 0.01 0.00 -0.75 0.00 0.00 64.21 59.64 1x5r n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5r n SER 3 N 1.18 -7.63 0.00 -3.46 7.64 -1.26 -4.71 113.62 105.37 1x5r n SER 3 Ca -0.16 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1x5r n SER 3 Cb 0.25 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1x5r n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5r n GLY 4 N -0.48 0.45 2.23 0.23 0.00 -1.26 -5.07 105.19 101.30 1x5r n GLY 4 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5r n SER 5 N 0.00 -3.96 -4.06 1.61 2.88 -1.26 -5.07 113.62 103.76 1x5r n SER 5 Ca 0.00 0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 58.25 1x5r n SER 5 Cb 0.00 -3.70 -0.13 0.00 -0.75 0.00 0.00 64.21 59.62 1x5r n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5r s SER 6 N -0.80 1.12 0.81 -3.46 0.15 -1.26 -5.11 113.70 105.16 1x5r s SER 6 Ca -0.07 -0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.20 1x5r s SER 6 Cb 0.00 -0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.40 1x5r s SER 6 CO 0.50 0.01 0.99 0.61 1.20 0.00 0.00 173.24 176.54 1x5r n GLY 7 N 2.27 -0.16 0.00 9.45 0.00 -1.26 -4.99 105.19 110.50 1x5r n GLY 7 Ca -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.08 0.94 0.00 -0.02 0.00 -1.26 -5.19 105.19 97.57 1x5r n GLY 8 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1x5r n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 9 N 0.11 1.36 3.43 -0.02 0.00 -1.26 -5.19 105.19 103.62 1x5r n GLY 9 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1x5r n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5r s GLN 10 N -1.03 1.63 0.18 1.61 0.74 -1.26 -5.16 119.66 116.37 1x5r s GLN 10 Ca 0.00 -1.91 0.11 0.00 0.05 0.00 0.00 55.36 53.61 1x5r s GLN 10 Cb 0.00 -0.70 -0.04 0.00 1.10 0.00 0.00 33.01 33.37 1x5r s GLN 10 CO 0.00 -0.25 -0.23 0.42 -0.55 0.00 0.00 175.29 174.68 1x5r s ILE 11 N -3.39 2.40 -0.01 -2.34 1.09 -1.26 -5.14 121.20 112.55 1x5r s ILE 11 Ca 0.35 -1.95 0.01 0.00 -1.10 0.00 0.00 60.65 57.97 1x5r s ILE 11 Cb 0.08 -2.14 0.01 0.00 -1.06 0.00 0.00 42.46 39.35 1x5r s ILE 11 CO 0.15 -0.08 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.19 1x5r s VAL 12 N -1.56 0.36 0.00 2.92 1.01 -1.26 -5.08 120.40 116.79 1x5r s VAL 12 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1x5r s VAL 12 Cb -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1x5r s VAL 12 CO 0.09 0.13 0.80 1.57 0.00 0.00 0.00 175.10 177.70 1x5r n HIS 13 N 3.35 0.00 -4.28 5.22 -0.00 -1.26 -4.85 115.22 113.40 1x5r n HIS 13 Ca -0.18 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.83 1x5r n HIS 13 Cb 0.56 -0.30 -0.11 0.00 -0.12 0.00 0.00 29.99 30.02 1x5r n HIS 13 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1x5r s THR 14 N -2.21 1.47 0.26 3.57 2.01 -1.26 -5.08 115.64 114.41 1x5r s THR 14 Ca 0.00 -1.94 0.06 0.00 0.31 0.00 0.00 61.69 60.11 1x5r s THR 14 Cb 0.00 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1x5r s THR 14 CO 0.00 -0.52 0.37 -1.61 -0.69 0.00 0.00 174.62 172.17 1x5r s GLU 15 N -3.16 3.31 0.00 4.92 2.02 -1.01 -5.03 118.70 119.76 1x5r s GLU 15 Ca 0.15 -0.85 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 1x5r s GLU 15 Cb -0.02 -2.84 0.04 0.00 0.10 0.00 0.00 34.13 31.40 1x5r s GLU 15 CO 0.04 0.34 0.43 0.95 0.02 0.00 0.00 175.26 177.04 1x5r s THR 16 N -2.04 0.04 -0.02 3.63 -4.23 -1.26 -2.85 115.64 108.91 1x5r s THR 16 Ca 0.37 -0.36 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1x5r s THR 16 Cb -0.09 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1x5r s THR 16 CO 0.29 -0.20 -0.16 0.28 -0.54 0.00 0.00 174.62 174.29 1x5r s THR 17 N -1.79 1.29 -0.30 3.99 -1.32 -1.05 -4.95 115.64 111.51 1x5r s THR 17 Ca -0.09 -0.68 -0.17 0.00 -1.21 0.00 0.00 61.69 59.54 1x5r s THR 17 Cb -0.02 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 1x5r s THR 17 CO 0.03 0.37 0.45 -0.70 -2.21 0.00 0.00 174.62 172.55 1x5r s GLU 18 N -0.25 3.86 -0.26 7.08 2.12 -1.26 -2.14 118.70 127.85 1x5r s GLU 18 Ca 0.03 -0.00 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1x5r s GLU 18 Cb -0.08 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 1x5r s GLU 18 CO 0.00 -0.43 0.13 0.08 -0.54 0.00 0.00 175.26 174.50 1x5r s VAL 19 N 2.22 4.86 -0.27 3.70 1.01 0.58 -4.91 120.40 127.60 1x5r s VAL 19 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1x5r s VAL 19 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1x5r s VAL 19 CO 0.11 0.30 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 1x5r s VAL 20 N 1.58 3.47 0.05 2.92 1.01 -1.26 -0.73 120.40 127.45 1x5r s VAL 20 Ca 0.07 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1x5r s VAL 20 Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1x5r s VAL 20 CO 0.07 0.17 -0.10 -0.76 0.00 0.00 0.00 175.10 174.48 1x5r s LEU 21 N 1.43 3.04 -0.16 3.92 1.43 -1.11 -4.96 118.68 122.26 1x5r s LEU 21 Ca 0.02 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1x5r s LEU 21 Cb -0.17 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1x5r s LEU 21 CO -0.01 0.23 -0.05 0.00 0.23 0.00 0.00 176.35 176.75 1x5r s GLY 23 N 1.66 1.81 0.56 0.00 0.00 -1.24 -4.91 107.32 105.19 1x5r s GLY 23 Ca 0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 42.98 1x5r s GLY 23 CO -0.08 -1.14 0.83 0.99 0.00 0.00 0.00 173.10 173.70 1x5r s ASP 24 N -3.30 5.49 0.42 1.64 1.11 -1.12 -4.20 116.67 116.71 1x5r s ASP 24 Ca 0.34 0.42 0.23 0.00 0.18 0.00 0.00 52.55 53.71 1x5r s ASP 24 Cb 0.00 -1.41 0.66 0.00 1.07 0.00 0.00 42.92 43.24 1x5r s ASP 24 CO 0.24 -1.05 1.71 1.55 1.18 0.00 0.00 175.17 178.80 1x5r h PRO 25 N -0.02 0.00 0.05 8.23 0.13 -1.84 0.40 132.00 138.94 1x5r h PRO 25 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1x5r h PRO 25 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1x5r h PRO 25 CO 0.58 0.21 -1.65 1.28 -0.23 0.00 0.00 178.00 178.20 1x5r n LEU 26 N -3.25 2.18 -0.14 1.56 4.77 -1.26 -4.00 117.00 116.86 1x5r n LEU 26 Ca 0.01 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1x5r n LEU 26 Cb 0.51 -1.01 0.82 0.00 -2.33 0.00 0.00 43.42 41.40 1x5r n LEU 26 CO 0.34 0.53 1.04 -1.20 -1.33 0.00 0.00 177.39 176.77 1x5r n SER 27 N -4.04 0.42 0.00 -1.43 7.64 -1.23 -4.96 113.62 110.02 1x5r n SER 27 Ca -0.34 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1x5r n SER 27 Cb 0.84 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1x5r n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5r n GLY 28 N 1.05 2.79 0.00 0.23 0.00 0.14 -4.58 105.19 104.81 1x5r n GLY 28 Ca 0.22 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 12.49 0.00 0.00 1.61 3.72 -1.26 -2.77 117.46 131.24 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 2.14 -1.00 3.35 1.37 0.00 -1.26 -4.01 105.19 105.78 1x5r n GLY 30 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.20 -0.12 0.99 0.05 -1.26 -2.34 118.68 116.20 1x5r s LEU 31 Ca 0.00 0.93 0.01 0.00 0.05 0.00 0.00 54.13 55.12 1x5r s LEU 31 Cb 0.00 1.56 -0.01 0.00 -2.05 0.00 0.00 46.19 45.69 1x5r s LEU 31 CO 0.00 -0.16 -0.17 -1.10 -0.55 0.00 0.00 176.35 174.37 1x5r s GLN 32 N 0.38 3.26 0.29 1.48 -1.52 0.18 -4.98 119.66 118.75 1x5r s GLN 32 Ca -0.01 -0.76 -0.05 0.00 -1.95 0.00 0.00 55.36 52.59 1x5r s GLN 32 Cb -0.04 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.19 1x5r s GLN 32 CO -0.01 0.20 0.56 -0.51 -0.25 0.00 0.00 175.29 175.29 1x5r s LEU 33 N 0.34 4.06 -0.19 2.90 1.43 -1.26 0.40 118.68 126.36 1x5r s LEU 33 Ca -0.14 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1x5r s LEU 33 Cb -0.17 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.54 1x5r s LEU 33 CO 0.07 -0.20 -0.05 -1.58 0.23 0.00 0.00 176.35 174.82 1x5r s GLN 34 N -3.51 1.52 0.00 1.70 0.74 0.31 -4.40 119.66 116.01 1x5r s GLN 34 Ca 0.44 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1x5r s GLN 34 Cb -0.11 -2.20 0.00 0.00 1.10 0.00 0.00 33.01 31.80 1x5r s GLN 34 CO 0.29 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1x5r n GLY 35 N 4.81 3.76 3.49 2.59 0.00 -1.26 -1.63 105.19 116.95 1x5r n GLY 35 Ca -0.12 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.49 0.10 -0.02 0.00 -1.26 -4.95 105.19 97.57 1x5r n GLY 36 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.49 1.41 -3.25 -0.61 2.04 -1.98 -3.45 117.51 110.17 1x5r h ILE 37 Ca -0.44 -2.36 -0.54 0.00 1.00 0.00 0.00 64.86 62.52 1x5r h ILE 37 Cb 1.29 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 40.34 1x5r h ILE 37 CO 0.37 0.59 0.52 -0.36 0.00 0.00 0.00 178.15 179.27 1x5r s PHE 38 N -2.34 3.48 0.40 1.37 0.08 -1.26 -4.90 117.98 114.80 1x5r s PHE 38 Ca -0.20 1.43 0.19 0.00 0.12 0.00 0.00 56.93 58.47 1x5r s PHE 38 Cb 0.01 -3.31 1.12 0.00 -0.57 0.00 0.00 43.02 40.27 1x5r s PHE 38 CO 0.71 -0.83 1.76 0.00 -0.10 0.00 0.00 175.22 176.76 1x5r h ALA 39 N 6.91 2.26 -3.00 5.36 0.00 -1.98 -3.41 119.26 125.40 1x5r h ALA 39 Ca -0.40 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1x5r h ALA 39 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x5r h ALA 39 CO 0.80 -0.68 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1x5r n THR 40 N -4.63 0.00 -1.50 0.00 -2.24 -1.26 -2.52 114.28 102.13 1x5r n THR 40 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1x5r n THR 40 Cb 0.91 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1x5r n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5r n GLU 41 N -0.86 -2.84 -0.77 -0.78 1.02 -1.26 -4.39 120.64 110.75 1x5r n GLU 41 Ca 0.00 2.27 -0.32 0.00 -0.02 0.00 0.00 57.16 59.09 1x5r n GLU 41 Cb 0.00 -2.45 0.13 0.00 -0.02 0.00 0.00 31.44 29.10 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x5r n THR 42 N 0.98 0.04 -3.48 2.62 -1.04 -1.26 -4.05 114.28 108.10 1x5r n THR 42 Ca 0.00 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1x5r n THR 42 Cb 0.00 -0.74 -0.10 0.00 -1.82 0.00 0.00 70.33 67.67 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 -2.70 4.49 0.28 -4.42 1.43 -0.25 -4.87 118.68 112.65 1x5r s LEU 43 Ca 0.60 -0.35 0.14 0.00 -1.03 0.00 0.00 54.13 53.49 1x5r s LEU 43 Cb -0.22 -2.22 0.23 0.00 0.03 0.00 0.00 46.19 44.01 1x5r s LEU 43 CO 0.65 -0.28 1.52 0.28 0.23 0.00 0.00 176.35 178.74 1x5r h SER 44 N 8.48 0.00 -4.42 2.29 0.02 -1.89 -3.38 113.55 114.65 1x5r h SER 44 Ca -0.31 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.36 1x5r h SER 44 Cb 1.15 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1x5r h SER 44 CO 0.66 0.56 -0.67 -0.94 -1.14 0.00 0.00 176.83 175.30 1x5r s SER 45 N -6.52 1.31 0.26 3.07 1.04 -1.26 -4.97 113.70 106.62 1x5r s SER 45 Ca 0.02 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.02 1x5r s SER 45 Cb 0.09 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 1x5r s SER 45 CO 0.74 -0.52 1.09 -2.16 0.98 0.00 0.00 173.24 173.37 1x5r s PRO 46 N -3.88 4.65 0.29 4.02 0.04 -1.26 -4.74 135.00 134.12 1x5r s PRO 46 Ca 0.21 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1x5r s PRO 46 Cb 0.05 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 1x5r s PRO 46 CO 0.02 0.21 1.08 -1.25 0.04 0.00 0.00 177.00 177.10 1x5r s PRO 47 N -1.22 4.60 0.43 0.56 0.04 -1.25 -4.68 135.00 133.47 1x5r s PRO 47 Ca 0.45 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 1x5r s PRO 47 Cb -0.31 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1x5r s PRO 47 CO 0.39 0.20 0.66 -0.51 0.04 0.00 0.00 177.00 177.78 1x5r s LEU 48 N -1.57 3.74 -0.88 -3.56 1.43 -0.65 -1.99 118.68 115.21 1x5r s LEU 48 Ca 0.46 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.77 1x5r s LEU 48 Cb -0.30 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1x5r s LEU 48 CO 0.38 -0.57 1.82 -0.69 0.23 0.00 0.00 176.35 177.53 1x5r s VAL 49 N -2.53 3.53 0.13 -1.59 1.01 -1.19 0.11 120.40 119.88 1x5r s VAL 49 Ca 0.46 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1x5r s VAL 49 Cb -0.10 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1x5r s VAL 49 CO 0.39 -1.15 1.65 0.00 0.00 0.00 0.00 175.10 175.99 1x5r s PHE 51 N -6.11 0.15 0.01 0.00 5.36 -1.18 -4.91 117.98 111.30 1x5r s PHE 51 Ca -0.15 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.32 1x5r s PHE 51 Cb 0.10 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 43.05 1x5r s PHE 51 CO 0.67 -0.96 -0.05 0.42 -1.46 0.00 0.00 175.22 173.85 1x5r s ILE 52 N -3.95 0.36 0.32 3.12 1.01 -1.26 0.48 121.20 121.27 1x5r s ILE 52 Ca 0.16 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 1x5r s ILE 52 Cb -0.01 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 42.01 1x5r s ILE 52 CO 0.04 -0.10 1.03 -1.61 0.00 0.00 0.00 174.94 174.29 1x5r s GLU 53 N -0.65 4.52 0.15 2.79 2.02 -0.99 -4.97 118.70 121.56 1x5r s GLU 53 Ca -0.04 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.22 1x5r s GLU 53 Cb -0.05 -2.92 -0.07 0.00 0.10 0.00 0.00 34.13 31.19 1x5r s GLU 53 CO -0.00 0.17 1.13 -1.25 0.02 0.00 0.00 175.26 175.33 1x5r s PRO 54 N -1.85 4.54 -0.46 0.39 0.04 -1.26 -2.56 135.00 133.83 1x5r s PRO 54 Ca 0.49 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1x5r s PRO 54 Cb -0.25 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1x5r s PRO 54 CO 0.32 -0.02 0.00 -3.47 0.04 0.00 0.00 177.00 173.87 1x5r n ASP 55 N 2.77 -5.22 -4.10 6.66 2.03 -1.26 -4.96 116.55 112.47 1x5r n ASP 55 Ca 0.04 0.11 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 1x5r n ASP 55 Cb 0.46 -3.10 0.19 0.00 -0.72 0.00 0.00 41.12 37.95 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 -2.22 3.01 0.01 1.67 1.04 -1.06 -4.85 113.70 111.29 1x5r s SER 56 Ca 0.00 0.27 -0.19 0.00 0.48 0.00 0.00 55.95 56.50 1x5r s SER 56 Cb 0.00 -0.30 -0.22 0.00 0.10 0.00 0.00 66.02 65.60 1x5r s SER 56 CO 0.00 -2.80 1.14 1.55 0.98 0.00 0.00 173.24 174.11 1x5r h PRO 57 N -1.69 0.43 0.00 4.02 0.13 -1.85 0.04 132.00 133.08 1x5r h PRO 57 Ca -0.44 -0.42 -0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1x5r h PRO 57 Cb 1.23 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x5r h PRO 57 CO 0.37 1.07 -0.00 0.00 -0.23 0.00 0.00 178.00 179.21 1x5r h ALA 58 N 0.37 1.62 0.13 -0.56 0.00 -1.84 -1.86 119.26 117.12 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 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x5r h ALA 58 CO 0.11 0.00 -1.40 1.49 0.00 0.00 0.00 179.25 179.46 1x5r h GLU 59 N 0.00 0.27 -0.80 0.00 4.81 -1.75 -3.32 114.58 113.80 1x5r h GLU 59 Ca -0.00 -0.46 0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1x5r h GLU 59 Cb 0.01 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1x5r h GLU 59 CO 0.00 1.22 0.58 0.00 -0.73 0.00 0.00 179.01 180.08 1x5r h ARG 60 N -0.26 0.00 0.00 1.92 3.08 -0.20 1.26 114.38 120.19 1x5r h ARG 60 Ca -0.29 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1x5r h ARG 60 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.84 1x5r h ARG 60 CO 0.08 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.82 1x5r n GLY 62 N -1.01 0.57 0.33 0.00 0.00 0.43 -4.33 105.19 101.18 1x5r n GLY 62 Ca -0.02 -0.01 0.25 0.00 0.00 0.00 0.00 46.02 46.23 1x5r n GLY 62 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1x5r h LEU 63 N 0.00 0.11 -9.94 0.99 8.10 -1.87 -3.37 115.31 109.32 1x5r h LEU 63 Ca 0.00 0.25 -0.49 0.00 0.11 0.00 0.00 57.88 57.75 1x5r h LEU 63 Cb 0.00 0.31 0.02 0.00 -0.44 0.00 0.00 40.66 40.55 1x5r h LEU 63 CO 0.00 -0.35 0.43 -0.22 -4.11 0.00 0.00 178.44 174.19 1x5r s LEU 64 N -10.64 4.20 -0.05 0.17 2.96 -1.26 -5.03 118.68 109.03 1x5r s LEU 64 Ca -0.10 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 1x5r s LEU 64 Cb 0.31 -4.08 0.11 0.00 0.50 0.00 0.00 46.19 43.03 1x5r s LEU 64 CO 0.78 -0.48 1.00 0.00 -1.32 0.00 0.00 176.35 176.33 1x5r s GLN 65 N -2.32 0.69 0.26 1.98 -2.07 -1.26 -4.88 119.66 112.06 1x5r s GLN 65 Ca 0.56 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 53.53 1x5r s GLN 65 Cb -0.25 0.30 -0.13 0.00 -1.09 0.00 0.00 33.01 31.84 1x5r s GLN 65 CO 0.31 -0.30 1.32 0.28 -1.32 0.00 0.00 175.29 175.58 1x5r n VAL 66 N -0.22 1.29 0.00 3.63 0.31 -1.26 -1.79 118.33 120.29 1x5r n VAL 66 Ca -0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1x5r n VAL 66 Cb 0.61 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1x5r n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x5r n GLY 67 N 1.73 2.32 3.12 2.92 0.00 -1.20 -4.91 105.19 109.17 1x5r n GLY 67 Ca 0.10 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 0.17 -2.66 -4.03 1.61 9.92 -0.74 -4.63 116.55 116.20 1x5r n ASP 68 Ca 0.00 -0.14 -0.24 0.00 -0.53 0.00 0.00 54.79 53.88 1x5r n ASP 68 Cb 0.00 -0.76 -0.16 0.00 -0.64 0.00 0.00 41.12 39.56 1x5r n ASP 68 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x5r s ARG 69 N -2.96 1.62 -0.44 -1.24 3.00 -1.26 -3.16 118.95 114.50 1x5r s ARG 69 Ca 0.43 -0.41 -0.15 0.00 0.00 0.00 0.00 55.73 55.60 1x5r s ARG 69 Cb -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 34.95 33.61 1x5r s ARG 69 CO 0.56 0.05 0.35 0.08 0.00 0.00 0.00 175.30 176.33 1x5r s VAL 70 N 0.58 5.20 -0.08 3.52 1.01 -0.84 -3.29 120.40 126.51 1x5r s VAL 70 Ca -0.13 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1x5r s VAL 70 Cb -0.15 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1x5r s VAL 70 CO 0.03 -0.45 0.34 -0.07 0.00 0.00 0.00 175.10 174.95 1x5r h LEU 71 N 8.68 -0.17 -8.19 3.92 3.38 -1.54 -3.34 115.31 118.05 1x5r h LEU 71 Ca -0.28 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1x5r h LEU 71 Cb 1.11 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.74 1x5r h LEU 71 CO 0.81 0.34 -0.69 -0.94 0.09 0.00 0.00 178.44 178.05 1x5r s SER 72 N -5.37 0.46 -0.15 -0.43 1.04 -1.25 -1.11 113.70 106.88 1x5r s SER 72 Ca -0.05 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 55.49 1x5r s SER 72 Cb 0.00 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1x5r s SER 72 CO 0.17 -0.53 -0.08 -0.63 0.98 0.00 0.00 173.24 173.15 1x5r s ILE 73 N -3.36 1.24 -0.27 -1.02 1.01 0.46 -2.16 121.20 117.11 1x5r s ILE 73 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1x5r s ILE 73 Cb 0.04 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1x5r s ILE 73 CO -0.08 0.25 0.00 0.59 0.00 0.00 0.00 174.94 175.70 1x5r n ASN 74 N 4.85 -4.56 0.00 3.58 3.02 0.47 -1.20 115.26 121.41 1x5r n ASN 74 Ca -0.13 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1x5r n ASN 74 Cb 0.48 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5r n GLY 75 N -1.01 0.53 3.69 7.41 0.00 -1.26 -4.97 105.19 109.58 1x5r n GLY 75 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 5.24 -0.01 -0.61 -1.09 -0.34 -5.01 121.20 117.37 1x5r s ILE 76 Ca 0.00 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.76 1x5r s ILE 76 Cb 0.00 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1x5r s ILE 76 CO 0.00 0.30 1.16 0.00 -1.23 0.00 0.00 174.94 175.17 1x5r s ALA 77 N 1.00 3.41 0.31 9.38 0.00 -1.26 0.18 121.76 134.78 1x5r s ALA 77 Ca 0.18 0.67 0.27 0.00 0.00 0.00 0.00 51.96 53.08 1x5r s ALA 77 Cb -0.14 -3.47 1.27 0.00 0.00 0.00 0.00 23.12 20.78 1x5r s ALA 77 CO 0.07 -0.58 1.98 1.79 0.00 0.00 0.00 175.76 179.02 1x5r h THR 78 N 4.83 0.53 0.00 0.00 1.35 -1.39 -1.16 112.91 117.07 1x5r h THR 78 Ca -0.37 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1x5r h THR 78 Cb 1.18 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1x5r h THR 78 CO 0.84 0.15 0.00 -0.62 -0.25 0.00 0.00 175.52 175.64 1x5r n GLU 79 N -3.51 0.10 -1.41 4.72 1.02 -1.26 -2.89 120.64 117.41 1x5r n GLU 79 Ca -0.01 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 57.02 1x5r n GLU 79 Cb 0.31 -1.64 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 1x5r n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x5r n ASP 80 N -1.82 6.26 -3.58 1.62 -0.08 -0.44 -4.37 116.55 114.15 1x5r n ASP 80 Ca 0.05 -3.76 0.03 0.00 -1.51 0.00 0.00 54.79 49.60 1x5r n ASP 80 Cb 0.31 -0.81 -0.00 0.00 2.34 0.00 0.00 41.12 42.95 1x5r n ASP 80 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1x5r s GLY 81 N -2.15 -0.47 0.65 0.27 0.00 -1.14 -4.92 107.32 99.56 1x5r s GLY 81 Ca 0.60 0.87 -0.05 0.00 0.00 0.00 0.00 44.72 46.14 1x5r s GLY 81 CO 0.02 0.16 0.94 -0.51 0.00 0.00 0.00 173.10 173.71 1x5r s THR 82 N -2.19 2.60 0.26 0.90 -4.23 -1.26 -1.09 115.64 110.63 1x5r s THR 82 Ca 0.15 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1x5r s THR 82 Cb 0.07 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 71.11 1x5r s THR 82 CO -0.06 -0.08 1.64 -0.03 -0.54 0.00 0.00 174.62 175.56 1x5r h MET 83 N -0.37 0.14 0.14 3.99 4.05 -1.67 -0.25 114.93 120.96 1x5r h MET 83 Ca -0.44 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 58.99 1x5r h MET 83 Cb 1.30 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.03 1x5r h MET 83 CO 0.59 0.10 -0.34 1.49 0.23 0.00 0.00 176.91 178.97 1x5r h GLU 84 N 0.15 -0.56 -0.95 0.39 4.22 -1.80 -1.95 114.58 114.08 1x5r h GLU 84 Ca 0.46 0.04 0.19 0.00 0.08 0.00 0.00 59.36 60.13 1x5r h GLU 84 Cb 0.84 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 30.04 1x5r h GLU 84 CO -0.65 -0.37 -0.23 0.39 -2.18 0.00 0.00 179.01 175.96 1x5r n GLU 85 N -5.43 -0.09 0.29 1.92 -0.58 -0.13 0.17 120.64 116.79 1x5r n GLU 85 Ca -0.07 1.48 -0.18 0.00 -0.42 0.00 0.00 57.16 57.97 1x5r n GLU 85 Cb 0.34 -2.21 -0.09 0.00 -0.57 0.00 0.00 31.44 28.90 1x5r n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5r h ALA 86 N 1.90 -1.08 -0.83 0.62 0.00 -1.11 1.41 119.26 120.17 1x5r h ALA 86 Ca 0.46 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1x5r h ALA 86 Cb 0.70 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1x5r h ALA 86 CO -0.98 -1.14 0.46 -0.91 0.00 0.00 0.00 179.25 176.68 1x5r h ASN 87 N -0.97 0.64 -0.58 0.00 2.35 0.28 0.66 115.58 117.94 1x5r h ASN 87 Ca -0.06 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1x5r h ASN 87 Cb 0.85 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1x5r h ASN 87 CO -0.05 0.34 0.21 -0.61 -1.65 0.00 0.00 177.43 175.66 1x5r h GLN 88 N 0.74 0.88 -0.41 0.81 5.75 0.25 -1.02 115.11 122.11 1x5r h GLN 88 Ca 0.42 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1x5r h GLN 88 Cb 0.46 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1x5r h GLN 88 CO -0.28 0.78 0.23 -0.07 -2.65 0.00 0.00 178.83 176.84 1x5r h LEU 89 N 0.81 0.48 -0.81 -2.39 3.38 0.37 0.11 115.31 117.27 1x5r h LEU 89 Ca 0.19 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1x5r h LEU 89 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1x5r h LEU 89 CO -0.01 0.38 -0.37 -0.07 0.09 0.00 0.00 178.44 178.46 1x5r h LEU 90 N 0.56 0.00 0.00 1.67 3.38 -0.24 -2.67 115.31 118.01 1x5r h LEU 90 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x5r h LEU 90 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x5r h LEU 90 CO -0.03 0.37 0.00 0.54 0.09 0.00 0.00 178.44 179.42 1x5r n ARG 91 N -3.45 0.00 -0.32 1.13 1.74 0.30 -1.85 116.66 114.21 1x5r n ARG 91 Ca 0.00 0.49 0.21 0.00 -0.77 0.00 0.00 57.85 57.78 1x5r n ARG 91 Cb 0.53 -1.23 0.43 0.00 -1.02 0.00 0.00 32.46 31.17 1x5r n ARG 91 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1x5r h ASP 92 N 0.00 0.31 -0.38 0.55 1.82 -1.44 1.07 116.42 118.34 1x5r h ASP 92 Ca 0.00 0.20 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1x5r h ASP 92 Cb 0.00 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.17 1x5r h ASP 92 CO 0.00 -0.18 0.13 0.00 -1.61 0.00 0.00 179.24 177.58 1x5r h ALA 93 N 1.85 0.45 -0.84 -0.78 0.00 -1.52 -0.83 119.26 117.59 1x5r h ALA 93 Ca 0.69 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.69 1x5r h ALA 93 Cb 1.55 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1x5r h ALA 93 CO -0.65 -0.27 0.54 0.00 0.00 0.00 0.00 179.25 178.87 1x5r h ALA 94 N 1.25 1.12 0.00 0.00 0.00 0.19 0.40 119.26 122.22 1x5r h ALA 94 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x5r h ALA 94 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x5r h ALA 94 CO -0.19 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1x5r n LEU 95 N -4.58 0.48 -0.15 0.00 4.77 -0.29 0.47 117.00 117.70 1x5r n LEU 95 Ca 0.11 0.69 0.11 0.00 -0.03 0.00 0.00 56.01 56.88 1x5r n LEU 95 Cb 0.11 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.52 1x5r n LEU 95 CO 0.33 -0.76 0.21 0.00 -1.33 0.00 0.00 177.39 175.85 1x5r n ALA 96 N -1.72 4.06 -1.01 -1.18 0.00 0.13 -4.93 120.51 115.86 1x5r n ALA 96 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 1x5r n ALA 96 Cb 0.08 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.04 0.00 -3.70 0.00 8.25 0.18 -4.92 115.22 113.99 1x5r n HIS 97 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1x5r n HIS 97 Cb 0.37 -1.42 -0.09 0.00 1.12 0.00 0.00 29.99 29.96 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 -1.45 0.60 0.13 -0.41 2.20 -1.12 -3.70 119.74 115.99 1x5r s LYS 98 Ca 0.00 0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 56.10 1x5r s LYS 98 Cb 0.00 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 1x5r s LYS 98 CO 0.00 -0.09 0.18 0.54 -0.36 0.00 0.00 175.35 175.62 1x5r s VAL 99 N 0.00 0.11 -0.02 4.02 0.11 -0.80 -4.47 120.40 119.35 1x5r s VAL 99 Ca -0.02 -1.50 -0.00 0.00 -2.93 0.00 0.00 61.98 57.53 1x5r s VAL 99 Cb -0.03 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1x5r s VAL 99 CO 0.02 -0.48 0.03 -0.69 -3.33 0.00 0.00 175.10 170.64 1x5r s VAL 100 N -3.96 -0.05 0.11 2.04 1.01 -1.25 -2.77 120.40 115.53 1x5r s VAL 100 Ca 0.15 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1x5r s VAL 100 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 1x5r s VAL 100 CO -0.03 0.08 -0.18 -0.76 0.00 0.00 0.00 175.10 174.21 1x5r s LEU 101 N 0.94 2.33 -0.21 3.92 1.43 0.09 0.18 118.68 127.37 1x5r s LEU 101 Ca -0.08 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1x5r s LEU 101 Cb -0.11 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.41 1x5r s LEU 101 CO -0.03 -0.02 -0.09 -0.70 0.23 0.00 0.00 176.35 175.74 1x5r s GLU 102 N -2.14 1.96 0.12 1.70 2.12 -0.92 -0.30 118.70 121.23 1x5r s GLU 102 Ca 0.07 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 1x5r s GLU 102 Cb -0.08 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 1x5r s GLU 102 CO 0.04 -0.47 0.33 0.08 -0.54 0.00 0.00 175.26 174.70 1x5r s VAL 103 N 1.38 5.23 -0.02 3.70 1.01 -0.91 -1.31 120.40 129.47 1x5r s VAL 103 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1x5r s VAL 103 Cb -0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1x5r s VAL 103 CO -0.08 0.07 -0.07 -0.70 0.00 0.00 0.00 175.10 174.32 1x5r s GLU 104 N -2.59 2.59 0.01 2.72 2.12 -1.21 -2.52 118.70 119.83 1x5r s GLU 104 Ca 0.39 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 1x5r s GLU 104 Cb -0.12 -2.51 0.11 0.00 0.26 0.00 0.00 34.13 31.86 1x5r s GLU 104 CO 0.25 0.62 1.25 -0.59 -0.54 0.00 0.00 175.26 176.25 1x5r s PHE 105 N -0.92 -0.02 -0.57 5.30 -0.12 -1.13 -4.64 117.98 115.87 1x5r s PHE 105 Ca 0.15 -0.12 0.09 0.00 -0.05 0.00 0.00 56.93 57.01 1x5r s PHE 105 Cb -0.11 0.57 0.26 0.00 -0.63 0.00 0.00 43.02 43.10 1x5r s PHE 105 CO 0.05 -0.36 1.21 -0.25 -0.05 0.00 0.00 175.22 175.82 1x5r n ASP 106 N -0.68 2.78 -2.83 1.98 8.00 -1.26 -2.41 116.55 122.13 1x5r n ASP 106 Ca -0.05 -2.17 -0.04 0.00 0.71 0.00 0.00 54.79 53.24 1x5r n ASP 106 Cb 0.61 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1x5r n ASP 106 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1x5r n SER 107 N 0.05 -7.80 0.00 -2.24 2.88 -1.26 -4.98 113.62 100.27 1x5r n SER 107 Ca 0.10 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1x5r n SER 107 Cb 0.45 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 108 N 0.40 1.94 3.78 0.46 0.00 -1.26 -5.15 105.19 105.36 1x5r n GLY 108 Ca 0.03 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 4.17 0.36 1.61 0.04 -1.26 -4.87 135.00 133.05 1x5r s PRO 109 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1x5r s PRO 109 Cb 0.00 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1x5r s PRO 109 CO 0.00 -0.14 0.00 -1.13 0.04 0.00 0.00 177.00 175.77 1x5r n SER 110 N -0.05 -3.27 -2.63 6.66 3.41 -1.26 -5.13 113.62 111.34 1x5r n SER 110 Ca 0.05 0.72 -0.04 0.00 -0.26 0.00 0.00 58.87 59.34 1x5r n SER 110 Cb 0.49 3.15 -0.04 0.00 -0.26 0.00 0.00 64.21 67.55 1x5r n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5r n SER 111 N -3.24 -2.24 0.00 4.04 7.64 -1.26 -5.33 113.62 113.23 1x5r n SER 111 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1x5r n SER 111 Cb 0.00 -5.31 0.00 0.00 -1.01 0.00 0.00 64.21 57.89 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64