#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5r s SER 2 N 0.00 6.51 0.32 1.61 0.01 -1.26 -5.03 113.70 115.86 1x5r s SER 2 Ca 0.00 0.60 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 1x5r s SER 2 Cb 0.00 -2.11 -0.16 0.00 0.21 0.00 0.00 66.02 63.96 1x5r s SER 2 CO 0.00 0.33 0.35 -1.54 0.41 0.00 0.00 173.24 172.79 1x5r n SER 3 N 1.61 -1.83 -3.57 2.44 3.41 -1.26 -4.97 113.62 109.46 1x5r n SER 3 Ca -0.15 0.97 -0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1x5r n SER 3 Cb 0.54 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1x5r n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5r s GLY 4 N -0.98 -0.42 0.45 5.00 0.00 -1.26 -5.15 107.32 104.96 1x5r s GLY 4 Ca 0.62 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.99 1x5r s GLY 4 CO 0.59 0.21 0.00 -1.26 0.00 0.00 0.00 173.10 172.64 1x5r n SER 5 N -0.33 -5.70 -4.40 1.64 2.88 -1.26 -4.69 113.62 101.75 1x5r n SER 5 Ca -0.09 1.04 -0.44 0.00 -1.33 0.00 0.00 58.87 58.04 1x5r n SER 5 Cb 0.62 -3.58 -0.05 0.00 -0.75 0.00 0.00 64.21 60.45 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 -6.38 6.20 0.00 -3.46 0.15 -1.26 -4.89 113.70 104.05 1x5r s SER 6 Ca 0.00 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1x5r s SER 6 Cb 0.00 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1x5r s SER 6 CO 0.00 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.00 1x5r n GLY 7 N 5.24 0.47 0.00 9.45 0.00 -1.26 -5.09 105.19 114.00 1x5r n GLY 7 Ca -0.08 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.49 0.00 -0.02 0.00 -1.26 -4.94 105.19 97.48 1x5r n GLY 8 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 -0.12 2.58 -0.02 0.00 -1.26 -5.13 105.19 101.24 1x5r n GLY 9 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.92 -0.08 1.61 0.74 -1.26 -5.11 119.66 116.48 1x5r s GLN 10 Ca 0.00 -1.68 0.02 0.00 0.05 0.00 0.00 55.36 53.75 1x5r s GLN 10 Cb 0.00 -1.81 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 1x5r s GLN 10 CO 0.00 -1.19 -0.13 0.96 -0.55 0.00 0.00 175.29 174.38 1x5r s ILE 11 N 0.69 3.15 -0.23 -2.34 -4.36 -1.26 -5.08 121.20 111.77 1x5r s ILE 11 Ca 0.18 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 1x5r s ILE 11 Cb -0.23 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1x5r s ILE 11 CO -0.00 0.57 1.12 -0.69 0.24 0.00 0.00 174.94 176.18 1x5r s VAL 12 N -0.35 4.51 -0.02 8.37 1.01 -1.26 -4.87 120.40 127.79 1x5r s VAL 12 Ca 0.04 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 63.75 1x5r s VAL 12 Cb -0.13 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1x5r s VAL 12 CO 0.02 -0.23 -0.14 1.57 0.00 0.00 0.00 175.10 176.32 1x5r n HIS 13 N 6.56 0.00 -4.03 5.22 -0.00 -1.26 -5.10 115.22 116.62 1x5r n HIS 13 Ca 0.13 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.23 1x5r n HIS 13 Cb 0.46 -0.22 -0.09 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 -2.36 0.20 0.42 3.57 2.01 -1.26 -5.07 115.64 113.14 1x5r s THR 14 Ca -0.12 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.07 1x5r s THR 14 Cb 0.02 -1.43 -0.10 0.00 0.01 0.00 0.00 72.50 71.00 1x5r s THR 14 CO 0.18 -0.90 0.90 -1.61 -0.69 0.00 0.00 174.62 172.50 1x5r s GLU 15 N -3.80 4.13 0.08 4.92 8.01 -0.31 -4.92 118.70 126.81 1x5r s GLU 15 Ca 0.06 0.97 0.02 0.00 0.01 0.00 0.00 54.97 56.03 1x5r s GLU 15 Cb 0.07 -2.24 -0.04 0.00 -4.31 0.00 0.00 34.13 27.61 1x5r s GLU 15 CO -0.10 -0.02 -0.07 0.95 0.01 0.00 0.00 175.26 176.03 1x5r s THR 16 N -2.20 0.64 0.01 3.63 -4.23 -1.26 -1.36 115.64 110.87 1x5r s THR 16 Ca 0.59 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1x5r s THR 16 Cb -0.09 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 1x5r s THR 16 CO 0.17 -0.73 -0.09 0.28 -0.54 0.00 0.00 174.62 173.71 1x5r s THR 17 N -2.96 0.71 -0.28 3.99 -1.32 -1.02 -4.96 115.64 109.80 1x5r s THR 17 Ca 0.05 -0.57 -0.07 0.00 -1.21 0.00 0.00 61.69 59.88 1x5r s THR 17 Cb 0.01 -0.63 -0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1x5r s THR 17 CO -0.03 0.06 0.09 -0.70 -2.21 0.00 0.00 174.62 171.83 1x5r s GLU 18 N -0.57 3.30 -0.14 7.08 2.12 -1.26 -2.21 118.70 127.03 1x5r s GLU 18 Ca 0.01 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 1x5r s GLU 18 Cb -0.05 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1x5r s GLU 18 CO 0.00 -0.36 -0.02 0.08 -0.54 0.00 0.00 175.26 174.41 1x5r s VAL 19 N 1.55 4.04 -0.43 3.70 1.01 -0.53 -4.93 120.40 124.81 1x5r s VAL 19 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1x5r s VAL 19 Cb -0.16 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.57 1x5r s VAL 19 CO 0.03 0.52 0.27 -0.69 0.00 0.00 0.00 175.10 175.24 1x5r s VAL 20 N 0.03 3.90 0.15 2.92 1.01 -1.26 -1.17 120.40 125.97 1x5r s VAL 20 Ca 0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 61.98 60.18 1x5r s VAL 20 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1x5r s VAL 20 CO 0.02 -0.66 0.38 -0.76 0.00 0.00 0.00 175.10 174.08 1x5r s LEU 21 N 1.31 4.26 0.02 3.92 1.43 -1.02 -4.90 118.68 123.69 1x5r s LEU 21 Ca 0.05 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1x5r s LEU 21 Cb -0.24 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1x5r s LEU 21 CO -0.01 0.04 -0.08 0.00 0.23 0.00 0.00 176.35 176.53 1x5r n GLY 23 N 2.13 0.97 3.98 0.00 0.00 -1.21 -4.64 105.19 106.43 1x5r n GLY 23 Ca -0.18 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.84 5.72 0.50 1.61 1.11 -0.89 -4.17 116.67 118.70 1x5r s ASP 24 Ca 0.08 -0.07 0.28 0.00 0.18 0.00 0.00 52.55 53.02 1x5r s ASP 24 Cb -0.01 -1.11 0.86 0.00 1.07 0.00 0.00 42.92 43.73 1x5r s ASP 24 CO 0.01 -0.73 1.80 1.55 1.18 0.00 0.00 175.17 178.99 1x5r h PRO 25 N 0.53 0.00 0.00 8.23 0.13 -1.88 0.18 132.00 139.19 1x5r h PRO 25 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1x5r h PRO 25 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1x5r h PRO 25 CO 0.52 0.00 -2.09 1.28 -0.23 0.00 0.00 178.00 177.48 1x5r n LEU 26 N -3.10 1.84 0.21 1.56 4.77 -1.26 -4.50 117.00 116.52 1x5r n LEU 26 Ca 0.02 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1x5r n LEU 26 Cb 0.42 -0.60 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 1x5r n LEU 26 CO 0.31 0.52 0.77 -1.28 -1.33 0.00 0.00 177.39 176.38 1x5r h SER 27 N -0.51 0.00 0.00 -1.43 0.87 -1.97 -3.48 113.55 107.03 1x5r h SER 27 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1x5r h SER 27 Cb 1.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1x5r h SER 27 CO -0.24 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1x5r n GLY 28 N -0.31 -0.07 0.00 5.77 0.00 0.62 -4.80 105.19 106.41 1x5r n GLY 28 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.00 0.00 1.61 3.72 -1.26 -2.10 117.46 119.42 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 3.35 -0.92 3.46 1.37 0.00 -1.26 -4.09 105.19 107.09 1x5r n GLY 30 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.40 -0.18 0.99 0.05 -1.26 -2.28 118.68 115.59 1x5r s LEU 31 Ca 0.00 1.18 -0.04 0.00 0.05 0.00 0.00 54.13 55.32 1x5r s LEU 31 Cb 0.00 1.89 -0.02 0.00 -2.05 0.00 0.00 46.19 46.01 1x5r s LEU 31 CO 0.00 -0.21 -0.03 -1.10 -0.55 0.00 0.00 176.35 174.46 1x5r s GLN 32 N 1.13 3.60 0.21 1.48 -1.52 0.23 -4.97 119.66 119.82 1x5r s GLN 32 Ca -0.07 -0.54 -0.13 0.00 -1.95 0.00 0.00 55.36 52.68 1x5r s GLN 32 Cb -0.06 -2.98 -0.07 0.00 -0.22 0.00 0.00 33.01 29.68 1x5r s GLN 32 CO -0.11 0.10 0.59 -0.51 -0.25 0.00 0.00 175.29 175.11 1x5r s LEU 33 N 0.75 4.22 -0.10 2.90 1.43 -1.26 0.18 118.68 126.80 1x5r s LEU 33 Ca -0.01 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1x5r s LEU 33 Cb -0.14 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1x5r s LEU 33 CO 0.02 -0.02 -0.08 -1.58 0.23 0.00 0.00 176.35 174.92 1x5r s GLN 34 N -2.48 1.47 0.00 1.70 0.74 0.51 -4.49 119.66 117.11 1x5r s GLN 34 Ca 0.45 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.60 1x5r s GLN 34 Cb -0.13 -1.49 0.00 0.00 1.10 0.00 0.00 33.01 32.50 1x5r s GLN 34 CO 0.20 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 1x5r n GLY 35 N 4.73 2.08 3.09 2.59 0.00 -1.26 0.10 105.19 116.52 1x5r n GLY 35 Ca -0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.48 -0.47 0.32 -0.02 0.00 -1.26 -4.65 105.19 98.63 1x5r n GLY 36 Ca 0.00 0.11 0.32 0.00 0.00 0.00 0.00 46.02 46.45 1x5r n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5r n ILE 37 N 1.81 -0.40 -2.74 -0.61 5.41 -1.26 -4.33 119.36 117.24 1x5r n ILE 37 Ca -0.02 1.96 -0.22 0.00 1.00 0.00 0.00 62.75 65.47 1x5r n ILE 37 Cb 0.27 -3.19 0.03 0.00 -0.71 0.00 0.00 39.64 36.04 1x5r n ILE 37 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x5r s PHE 38 N -5.46 2.99 -0.19 1.39 0.40 -1.26 -5.06 117.98 110.79 1x5r s PHE 38 Ca -0.09 0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 1x5r s PHE 38 Cb 0.33 -2.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.17 1x5r s PHE 38 CO 0.76 -0.72 -0.28 0.00 0.70 0.00 0.00 175.22 175.68 1x5r n ALA 39 N -2.27 0.83 -1.92 5.36 0.00 -1.26 -4.62 120.51 116.62 1x5r n ALA 39 Ca 0.06 -0.76 -0.25 0.00 0.00 0.00 0.00 53.44 52.48 1x5r n ALA 39 Cb 0.59 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1x5r n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x5r s THR 40 N -2.67 3.32 0.00 0.00 -4.23 -1.26 -3.47 115.64 107.33 1x5r s THR 40 Ca -0.28 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1x5r s THR 40 Cb 0.05 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1x5r s THR 40 CO 0.40 -0.70 0.00 -1.84 -0.54 0.00 0.00 174.62 171.94 1x5r n GLU 41 N 8.89 0.00 -1.54 3.99 0.28 -1.26 -5.06 120.64 125.93 1x5r n GLU 41 Ca 0.40 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.06 1x5r n GLU 41 Cb 0.47 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.41 1x5r n GLU 41 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x5r s THR 42 N -1.51 2.85 -0.39 3.84 2.01 -1.26 -3.05 115.64 118.12 1x5r s THR 42 Ca 0.00 0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 1x5r s THR 42 Cb 0.00 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1x5r s THR 42 CO 0.00 -0.26 0.25 -0.76 -0.69 0.00 0.00 174.62 173.17 1x5r s LEU 43 N -5.16 4.92 0.44 4.42 1.43 0.49 -4.79 118.68 120.42 1x5r s LEU 43 Ca 0.69 -0.96 0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1x5r s LEU 43 Cb -0.23 -2.09 0.87 0.00 0.03 0.00 0.00 46.19 44.77 1x5r s LEU 43 CO 0.45 -0.42 1.80 0.28 0.23 0.00 0.00 176.35 178.69 1x5r h SER 44 N 8.53 0.00 -4.45 2.29 0.02 -1.89 -3.38 113.55 114.68 1x5r h SER 44 Ca -0.26 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.40 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 0.70 0.22 -0.67 -0.94 -1.14 0.00 0.00 176.83 174.99 1x5r s SER 45 N -6.17 1.28 0.30 3.07 1.04 -1.26 -5.01 113.70 106.95 1x5r s SER 45 Ca 0.01 -1.14 -0.28 0.00 0.48 0.00 0.00 55.95 55.02 1x5r s SER 45 Cb 0.10 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1x5r s SER 45 CO 0.64 -0.53 1.07 -2.16 0.98 0.00 0.00 173.24 173.24 1x5r s PRO 46 N -3.89 4.56 0.29 4.02 0.04 -1.26 -4.73 135.00 134.03 1x5r s PRO 46 Ca 0.22 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1x5r s PRO 46 Cb 0.06 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 1x5r s PRO 46 CO 0.03 0.17 1.08 -1.25 0.04 0.00 0.00 177.00 177.06 1x5r s PRO 47 N -1.64 4.60 0.52 0.56 0.04 -1.26 -4.76 135.00 133.07 1x5r s PRO 47 Ca 0.47 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1x5r s PRO 47 Cb -0.29 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1x5r s PRO 47 CO 0.38 0.20 0.73 -0.51 0.04 0.00 0.00 177.00 177.83 1x5r s LEU 48 N -1.57 3.36 -1.11 -3.56 1.43 0.12 -1.89 118.68 115.46 1x5r s LEU 48 Ca 0.46 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 1x5r s LEU 48 Cb -0.30 -2.83 0.09 0.00 0.03 0.00 0.00 46.19 43.18 1x5r s LEU 48 CO 0.39 -1.06 1.47 -0.69 0.23 0.00 0.00 176.35 176.69 1x5r s VAL 49 N -2.67 4.29 0.13 -1.59 1.01 -0.62 0.19 120.40 121.15 1x5r s VAL 49 Ca 0.57 -1.52 -0.32 0.00 0.00 0.00 0.00 61.98 60.70 1x5r s VAL 49 Cb -0.10 -5.02 -0.10 0.00 0.00 0.00 0.00 36.38 31.16 1x5r s VAL 49 CO 0.37 -1.84 1.55 0.00 0.00 0.00 0.00 175.10 175.19 1x5r s PHE 51 N -5.67 0.92 -0.02 0.00 5.36 -1.15 -4.86 117.98 112.55 1x5r s PHE 51 Ca -0.14 -1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 54.63 1x5r s PHE 51 Cb 0.09 -0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.47 1x5r s PHE 51 CO 0.62 -0.78 0.05 0.42 -1.46 0.00 0.00 175.22 174.07 1x5r s ILE 52 N -4.05 -0.01 0.30 3.12 1.01 -1.26 0.74 121.20 121.05 1x5r s ILE 52 Ca 0.33 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 1x5r s ILE 52 Cb 0.04 -0.09 -0.10 0.00 0.01 0.00 0.00 42.46 42.32 1x5r s ILE 52 CO 0.12 0.01 1.16 -1.61 0.00 0.00 0.00 174.94 174.62 1x5r s GLU 53 N 0.14 4.55 0.14 2.79 2.02 -0.97 -4.96 118.70 122.42 1x5r s GLU 53 Ca -0.01 1.93 -0.30 0.00 0.02 0.00 0.00 54.97 56.61 1x5r s GLU 53 Cb -0.02 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 30.99 1x5r s GLU 53 CO -0.00 0.09 1.13 -1.25 0.02 0.00 0.00 175.26 175.25 1x5r s PRO 54 N -1.55 4.54 -0.49 0.39 0.04 -1.26 -2.55 135.00 134.11 1x5r s PRO 54 Ca 0.46 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1x5r s PRO 54 Cb -0.34 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1x5r s PRO 54 CO 0.45 -0.03 0.00 -3.47 0.04 0.00 0.00 177.00 173.98 1x5r n ASP 55 N 2.83 -5.08 -4.11 6.66 -0.08 -1.26 -4.97 116.55 110.54 1x5r n ASP 55 Ca 0.05 0.12 -0.30 0.00 -1.51 0.00 0.00 54.79 53.15 1x5r n ASP 55 Cb 0.46 -2.99 0.19 0.00 2.34 0.00 0.00 41.12 41.12 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1x5r s SER 56 N -2.26 3.08 0.10 1.67 1.04 -1.06 -4.86 113.70 111.42 1x5r s SER 56 Ca 0.00 0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 1x5r s SER 56 Cb 0.00 -0.22 -0.16 0.00 0.10 0.00 0.00 66.02 65.75 1x5r s SER 56 CO 0.00 -2.75 1.27 1.55 0.98 0.00 0.00 173.24 174.29 1x5r h PRO 57 N -1.62 0.65 0.00 4.02 0.13 -1.82 -0.47 132.00 132.88 1x5r h PRO 57 Ca -0.44 -0.63 -0.03 0.00 -0.87 0.00 0.00 66.00 64.04 1x5r h PRO 57 Cb 1.23 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 1x5r h PRO 57 CO 0.36 1.23 -0.14 0.00 -0.23 0.00 0.00 178.00 179.23 1x5r h ALA 58 N 0.56 1.29 0.16 -0.56 0.00 -1.82 -2.59 119.26 116.30 1x5r h ALA 58 Ca -0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 1x5r h ALA 58 Cb 1.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1x5r h ALA 58 CO 0.18 0.17 -1.62 1.49 0.00 0.00 0.00 179.25 179.46 1x5r h GLU 59 N 0.00 0.33 -0.41 0.00 4.57 -1.73 -3.31 114.58 114.03 1x5r h GLU 59 Ca -0.00 -0.57 0.12 0.00 -1.18 0.00 0.00 59.36 57.73 1x5r h GLU 59 Cb 0.37 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1x5r h GLU 59 CO 0.02 1.27 0.40 0.00 -1.18 0.00 0.00 179.01 179.52 1x5r h ARG 60 N -0.06 0.00 0.00 1.92 3.08 -0.71 0.94 114.38 119.56 1x5r h ARG 60 Ca -0.33 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 1x5r h ARG 60 Cb 1.96 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.01 1x5r h ARG 60 CO 0.13 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.89 1x5r n GLY 62 N -1.01 0.70 0.40 0.00 0.00 0.32 -4.25 105.19 101.36 1x5r n GLY 62 Ca -0.02 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.20 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 0.13 -9.49 0.99 8.10 -1.87 -3.39 115.31 109.78 1x5r h LEU 63 Ca 0.00 0.01 -0.54 0.00 0.11 0.00 0.00 57.88 57.46 1x5r h LEU 63 Cb 0.00 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 1x5r h LEU 63 CO 0.00 0.06 0.22 -0.22 -4.11 0.00 0.00 178.44 174.39 1x5r s LEU 64 N -8.91 4.43 0.25 0.17 0.20 -1.26 -5.01 118.68 108.55 1x5r s LEU 64 Ca -0.06 1.50 -0.21 0.00 0.69 0.00 0.00 54.13 56.05 1x5r s LEU 64 Cb 0.21 -3.32 0.06 0.00 -0.43 0.00 0.00 46.19 42.71 1x5r s LEU 64 CO 0.76 -0.06 0.91 -1.10 -0.29 0.00 0.00 176.35 176.56 1x5r s GLN 65 N 0.25 1.62 0.22 1.98 -0.21 -1.26 -4.75 119.66 117.49 1x5r s GLN 65 Ca 0.42 -0.99 -0.32 0.00 0.02 0.00 0.00 55.36 54.49 1x5r s GLN 65 Cb -0.21 0.48 -0.13 0.00 1.00 0.00 0.00 33.01 34.16 1x5r s GLN 65 CO 0.24 -0.75 1.62 0.28 -2.12 0.00 0.00 175.29 174.56 1x5r n VAL 66 N -0.57 0.31 0.00 1.09 0.31 -1.26 -2.02 118.33 116.20 1x5r n VAL 66 Ca -0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1x5r n VAL 66 Cb 0.60 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 3.24 3.12 3.27 2.92 0.00 -1.21 -4.93 105.19 111.60 1x5r n GLY 67 Ca 0.14 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 0.64 -3.33 -4.81 1.61 9.92 -0.86 -4.39 116.55 115.33 1x5r n ASP 68 Ca 0.00 0.64 -0.22 0.00 -0.53 0.00 0.00 54.79 54.68 1x5r n ASP 68 Cb 0.00 -0.90 -0.04 0.00 -0.64 0.00 0.00 41.12 39.53 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 -1.27 2.81 -0.41 -1.24 3.00 -1.26 -1.59 118.95 118.99 1x5r s ARG 69 Ca 0.58 -1.15 0.02 0.00 0.00 0.00 0.00 55.73 55.17 1x5r s ARG 69 Cb -0.47 -2.50 0.14 0.00 0.00 0.00 0.00 34.95 32.12 1x5r s ARG 69 CO 0.65 0.32 0.25 0.08 0.00 0.00 0.00 175.30 176.59 1x5r s VAL 70 N -2.20 0.88 0.10 3.52 1.01 -0.79 -3.88 120.40 119.04 1x5r s VAL 70 Ca 0.35 -2.30 -0.33 0.00 0.00 0.00 0.00 61.98 59.70 1x5r s VAL 70 Cb -0.07 -1.62 -0.14 0.00 0.00 0.00 0.00 36.38 34.55 1x5r s VAL 70 CO 0.25 -0.97 1.59 -0.07 0.00 0.00 0.00 175.10 175.90 1x5r h LEU 71 N 6.69 -1.16 -8.91 3.92 3.38 0.12 -3.36 115.31 115.98 1x5r h LEU 71 Ca 0.05 0.10 -0.37 0.00 0.09 0.00 0.00 57.88 57.75 1x5r h LEU 71 Cb 0.94 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 41.94 1x5r h LEU 71 CO 0.40 -0.56 -0.64 -0.94 0.09 0.00 0.00 178.44 176.79 1x5r s SER 72 N -4.53 1.65 -0.20 -0.43 1.04 -1.24 -0.47 113.70 109.52 1x5r s SER 72 Ca -0.17 -1.28 -0.01 0.00 0.48 0.00 0.00 55.95 54.96 1x5r s SER 72 Cb 0.06 0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.29 1x5r s SER 72 CO 0.62 -0.60 -0.01 -0.63 0.98 0.00 0.00 173.24 173.61 1x5r s ILE 73 N -3.53 0.94 0.00 -1.02 1.01 0.38 -2.44 121.20 116.54 1x5r s ILE 73 Ca 0.32 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1x5r s ILE 73 Cb 0.07 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1x5r s ILE 73 CO 0.11 -0.12 0.00 -3.20 0.00 0.00 0.00 174.94 171.73 1x5r n ASN 74 N 4.90 -3.57 0.00 3.58 2.85 0.51 -1.55 115.26 121.98 1x5r n ASN 74 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1x5r n ASN 74 Cb 0.46 -1.72 0.00 0.00 1.24 0.00 0.00 39.78 39.76 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5r n GLY 75 N -1.34 0.84 3.57 8.20 0.00 -1.26 -4.88 105.19 110.32 1x5r n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 5.26 -0.13 -0.61 -1.09 -0.59 -5.01 121.20 117.03 1x5r s ILE 76 Ca 0.00 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.27 1x5r s ILE 76 Cb 0.00 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1x5r s ILE 76 CO 0.00 0.14 1.60 0.00 -1.23 0.00 0.00 174.94 175.45 1x5r s ALA 77 N 1.84 3.49 0.33 9.38 0.00 -1.26 0.14 121.76 135.68 1x5r s ALA 77 Ca 0.09 0.71 0.28 0.00 0.00 0.00 0.00 51.96 53.04 1x5r s ALA 77 Cb -0.16 -3.77 1.38 0.00 0.00 0.00 0.00 23.12 20.56 1x5r s ALA 77 CO 0.11 -1.59 2.02 1.79 0.00 0.00 0.00 175.76 178.10 1x5r h THR 78 N 5.79 0.47 0.00 0.00 1.35 -1.03 -1.54 112.91 117.95 1x5r h THR 78 Ca -0.36 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 1x5r h THR 78 Cb 1.16 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1x5r h THR 78 CO 0.97 0.12 -0.29 -0.33 -0.25 0.00 0.00 175.52 175.75 1x5r h GLU 79 N 0.00 0.00 -0.64 4.72 4.39 -1.74 -2.29 114.58 119.02 1x5r h GLU 79 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x5r h GLU 79 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1x5r h GLU 79 CO 0.02 0.29 0.00 -3.47 -1.16 0.00 0.00 179.01 174.69 1x5r n ASP 80 N -3.43 4.52 -2.81 1.42 2.03 -0.59 -4.21 116.55 113.47 1x5r n ASP 80 Ca 0.00 -2.51 -0.15 0.00 0.52 0.00 0.00 54.79 52.65 1x5r n ASP 80 Cb 0.48 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5r n GLY 81 N 0.91 2.76 3.95 0.27 0.00 -0.86 -4.99 105.19 107.23 1x5r n GLY 81 Ca 0.23 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.99 5.29 0.16 2.61 -4.23 -1.26 -0.38 115.64 114.84 1x5r s THR 82 Ca 0.30 -0.80 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 1x5r s THR 82 Cb 0.01 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.05 1x5r s THR 82 CO 0.21 -0.21 1.39 0.80 -0.54 0.00 0.00 174.62 176.28 1x5r n MET 83 N -0.94 -0.35 -0.07 3.99 1.56 -1.17 -0.05 117.12 120.08 1x5r n MET 83 Ca -0.08 1.36 -0.10 0.00 -0.27 0.00 0.00 57.70 58.61 1x5r n MET 83 Cb 0.55 -2.01 -0.04 0.00 2.15 0.00 0.00 33.22 33.87 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 -0.35 -0.90 2.12 4.81 -1.86 -1.31 114.58 117.09 1x5r h GLU 84 Ca 0.18 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1x5r h GLU 84 Cb 0.41 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 29.73 1x5r h GLU 84 CO -0.86 -0.24 -0.38 0.39 -0.73 0.00 0.00 179.01 177.20 1x5r n GLU 85 N -5.42 -0.24 -0.17 1.92 -0.58 0.92 0.20 120.64 117.27 1x5r n GLU 85 Ca -0.02 1.37 -0.01 0.00 -0.42 0.00 0.00 57.16 58.09 1x5r n GLU 85 Cb 0.35 -2.04 0.08 0.00 -0.57 0.00 0.00 31.44 29.26 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 1.11 0.57 0.61 0.62 0.00 -0.67 0.24 119.26 121.74 1x5r h ALA 86 Ca 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1x5r h ALA 86 Cb 0.51 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x5r h ALA 86 CO -0.88 -0.34 -0.30 -0.91 0.00 0.00 0.00 179.25 176.83 1x5r h ASN 87 N 0.20 -0.70 -1.43 0.00 2.35 0.24 -2.67 115.58 113.56 1x5r h ASN 87 Ca 0.27 0.02 0.47 0.00 -0.55 0.00 0.00 56.30 56.51 1x5r h ASN 87 Cb 0.39 0.18 -0.12 0.00 0.05 0.00 0.00 38.32 38.82 1x5r h ASN 87 CO -0.38 -0.39 0.94 -0.61 -1.65 0.00 0.00 177.43 175.34 1x5r h GLN 88 N -1.05 0.05 -0.07 0.81 5.75 0.25 1.49 115.11 122.33 1x5r h GLN 88 Ca -0.08 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1x5r h GLN 88 Cb 0.63 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 1x5r h GLN 88 CO 0.14 0.03 0.02 -0.07 -2.65 0.00 0.00 178.83 176.30 1x5r h LEU 89 N 0.05 0.10 -2.08 -2.39 3.38 -0.31 -0.54 115.31 113.53 1x5r h LEU 89 Ca 0.85 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.72 1x5r h LEU 89 Cb 2.82 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 43.53 1x5r h LEU 89 CO -0.37 0.26 0.24 -0.07 0.09 0.00 0.00 178.44 178.60 1x5r h LEU 90 N -0.06 0.00 0.27 1.67 -0.00 0.24 0.89 115.31 118.31 1x5r h LEU 90 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1x5r h LEU 90 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1x5r h LEU 90 CO -0.00 0.00 -0.13 -0.09 -0.00 0.00 0.00 178.44 178.22 1x5r h ARG 91 N 0.00 -0.34 -0.11 1.13 2.43 -0.45 -1.34 114.38 115.70 1x5r h ARG 91 Ca 0.14 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1x5r h ARG 91 Cb 0.62 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1x5r h ARG 91 CO -0.00 -0.23 0.09 0.22 -1.51 0.00 0.00 179.97 178.54 1x5r h ASP 92 N -0.83 0.00 -0.01 -3.80 3.58 -0.71 0.14 116.42 114.80 1x5r h ASP 92 Ca -0.04 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 1x5r h ASP 92 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1x5r h ASP 92 CO 0.06 0.00 -0.47 0.00 -2.88 0.00 0.00 179.24 175.95 1x5r h ALA 93 N 1.92 0.78 -0.69 -0.78 0.00 0.77 -2.87 119.26 118.39 1x5r h ALA 93 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1x5r h ALA 93 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1x5r h ALA 93 CO -0.00 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.11 1x5r h ALA 94 N 1.04 1.03 0.00 0.00 0.00 0.47 -0.33 119.26 121.47 1x5r h ALA 94 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x5r h ALA 94 Cb 0.99 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x5r h ALA 94 CO 0.09 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.91 1x5r h LEU 95 N 1.03 0.00 -0.01 0.00 3.38 -1.18 0.81 115.31 119.34 1x5r h LEU 95 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1x5r h LEU 95 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1x5r h LEU 95 CO -0.00 0.00 -0.67 0.00 0.09 0.00 0.00 178.44 177.86 1x5r n ALA 96 N -1.82 3.97 -0.95 1.53 0.00 -0.15 -4.91 120.51 118.17 1x5r n ALA 96 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1x5r n ALA 96 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.49 0.00 -3.63 0.00 8.25 0.28 -4.92 115.22 113.72 1x5r n HIS 97 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1x5r n HIS 97 Cb 0.33 -1.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.27 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 -1.08 1.04 0.18 -0.41 2.20 -1.19 -3.32 119.74 117.15 1x5r s LYS 98 Ca 0.00 -0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 54.78 1x5r s LYS 98 Cb 0.00 0.46 0.06 0.00 -1.51 0.00 0.00 37.83 36.84 1x5r s LYS 98 CO 0.00 -0.40 0.73 0.54 -0.36 0.00 0.00 175.35 175.86 1x5r s VAL 99 N -3.42 0.00 -0.09 4.02 0.11 -0.45 -4.42 120.40 116.15 1x5r s VAL 99 Ca 0.01 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1x5r s VAL 99 Cb 0.01 -1.47 0.03 0.00 -1.53 0.00 0.00 36.38 33.42 1x5r s VAL 99 CO -0.09 0.00 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.95 1x5r s VAL 100 N -3.66 0.71 -0.12 2.04 1.01 -1.25 -2.44 120.40 116.69 1x5r s VAL 100 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1x5r s VAL 100 Cb -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1x5r s VAL 100 CO -0.04 0.31 -0.06 -0.76 0.00 0.00 0.00 175.10 174.56 1x5r s LEU 101 N 1.81 3.16 -0.32 3.92 2.01 -0.32 0.19 118.68 129.14 1x5r s LEU 101 Ca 0.05 -0.11 -0.05 0.00 0.01 0.00 0.00 54.13 54.03 1x5r s LEU 101 Cb -0.12 -1.73 0.04 0.00 0.01 0.00 0.00 46.19 44.38 1x5r s LEU 101 CO -0.07 0.24 0.07 -0.70 1.01 0.00 0.00 176.35 176.90 1x5r s GLU 102 N -0.07 2.65 0.22 1.70 2.12 -1.02 -1.45 118.70 122.84 1x5r s GLU 102 Ca 0.01 -1.15 0.02 0.00 0.36 0.00 0.00 54.97 54.21 1x5r s GLU 102 Cb -0.13 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1x5r s GLU 102 CO 0.03 -0.61 0.38 0.08 -0.54 0.00 0.00 175.26 174.60 1x5r s VAL 103 N 1.37 5.24 -0.08 3.70 1.01 -0.94 0.16 120.40 130.86 1x5r s VAL 103 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1x5r s VAL 103 Cb -0.19 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1x5r s VAL 103 CO 0.01 -0.24 -0.18 -0.70 0.00 0.00 0.00 175.10 174.00 1x5r s GLU 104 N -3.58 2.31 0.21 2.72 2.12 -1.26 -2.44 118.70 118.78 1x5r s GLU 104 Ca 0.37 -0.62 -0.23 0.00 0.36 0.00 0.00 54.97 54.85 1x5r s GLU 104 Cb -0.10 -1.81 0.04 0.00 0.26 0.00 0.00 34.13 32.52 1x5r s GLU 104 CO 0.30 0.10 0.73 -0.59 -0.54 0.00 0.00 175.26 175.25 1x5r s PHE 105 N 0.52 -0.28 -1.64 5.30 -0.12 -0.46 -4.69 117.98 116.61 1x5r s PHE 105 Ca -0.17 -0.07 0.19 0.00 -0.05 0.00 0.00 56.93 56.83 1x5r s PHE 105 Cb -0.17 0.65 0.54 0.00 -0.63 0.00 0.00 43.02 43.41 1x5r s PHE 105 CO 0.06 -1.04 1.45 -3.47 -0.05 0.00 0.00 175.22 172.17 1x5r n ASP 106 N -0.43 3.63 -2.48 1.98 2.03 -1.26 -1.17 116.55 118.85 1x5r n ASP 106 Ca -0.08 -2.00 -0.03 0.00 0.52 0.00 0.00 54.79 53.21 1x5r n ASP 106 Cb 0.61 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 1x5r n ASP 106 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1x5r n SER 107 N 1.29 -4.99 0.00 1.67 3.41 -1.26 -4.94 113.62 108.80 1x5r n SER 107 Ca 0.20 1.57 0.00 0.00 -0.26 0.00 0.00 58.87 60.39 1x5r n SER 107 Cb 0.56 -4.91 0.00 0.00 -0.26 0.00 0.00 64.21 59.60 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5r n GLY 108 N 1.85 0.60 3.71 5.00 0.00 -1.26 -5.13 105.19 109.96 1x5r n GLY 108 Ca -0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 4.45 -0.22 1.61 0.04 -1.26 -5.02 135.00 132.60 1x5r s PRO 109 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1x5r s PRO 109 Cb 0.00 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1x5r s PRO 109 CO 0.00 -0.23 0.50 0.45 0.04 0.00 0.00 177.00 177.76 1x5r s SER 110 N 1.06 -0.62 0.01 6.66 0.15 -1.26 -5.16 113.70 114.54 1x5r s SER 110 Ca 0.58 1.14 -0.11 0.00 0.70 0.00 0.00 55.95 58.26 1x5r s SER 110 Cb -0.28 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 1x5r s SER 110 CO 0.29 -0.22 0.22 -0.55 1.20 0.00 0.00 173.24 174.19 1x5r s SER 111 N 1.93 -0.05 0.00 5.45 0.15 -1.26 -5.19 113.70 114.73 1x5r s SER 111 Ca -0.07 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1x5r s SER 111 Cb -0.09 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1x5r s SER 111 CO -0.15 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.43