#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 -0.09 -0.29 1.61 0.01 -1.26 -5.18 113.70 108.51 1x5r s SER 2 Ca 0.00 -0.18 -0.18 0.00 1.31 0.00 0.00 55.95 56.90 1x5r s SER 2 Cb 0.00 0.23 0.13 0.00 0.21 0.00 0.00 66.02 66.59 1x5r s SER 2 CO 0.00 -0.43 0.93 -0.44 0.41 0.00 0.00 173.24 173.71 1x5r s SER 3 N -2.91 -0.58 0.00 2.44 0.01 -1.26 -5.17 113.70 106.23 1x5r s SER 3 Ca 0.13 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1x5r s SER 3 Cb 0.03 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.44 1x5r s SER 3 CO -0.03 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1x5r n GLY 4 N 3.50 -0.49 3.50 3.44 0.00 -1.26 -5.07 105.19 108.82 1x5r n GLY 4 Ca -0.18 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5r s SER 5 N 0.00 6.44 -0.13 1.61 1.04 -1.26 -4.97 113.70 116.43 1x5r s SER 5 Ca 0.00 -1.43 0.01 0.00 0.48 0.00 0.00 55.95 55.01 1x5r s SER 5 Cb 0.00 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.65 1x5r s SER 5 CO 0.00 -1.39 -0.17 -0.94 0.98 0.00 0.00 173.24 171.72 1x5r s SER 6 N 4.11 2.71 1.10 7.02 1.04 -1.26 -5.13 113.70 123.29 1x5r s SER 6 Ca 0.35 -0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1x5r s SER 6 Cb -0.06 -1.22 0.24 0.00 0.10 0.00 0.00 66.02 65.07 1x5r s SER 6 CO -0.03 0.00 1.08 -0.83 0.98 0.00 0.00 173.24 174.45 1x5r s GLY 7 N 1.15 1.56 0.00 7.32 0.00 -1.26 -5.07 107.32 111.02 1x5r s GLY 7 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1x5r s GLY 7 CO -0.06 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.84 1x5r n GLY 8 N -0.75 1.18 0.00 0.20 0.00 -1.26 -5.14 105.19 99.42 1x5r n GLY 8 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 5.00 0.63 3.19 -0.02 0.00 -1.26 -5.09 105.19 107.64 1x5r n GLY 9 Ca 0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 1x5r n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5r n GLN 10 N -0.66 -1.99 -1.42 1.61 6.02 -1.26 -4.78 117.38 114.90 1x5r n GLN 10 Ca 0.00 1.68 -0.43 0.00 -0.01 0.00 0.00 57.00 58.24 1x5r n GLN 10 Cb 0.00 -3.31 -0.00 0.00 1.02 0.00 0.00 30.24 27.95 1x5r n GLN 10 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1x5r n ILE 11 N 0.07 1.55 -0.28 5.09 0.13 -1.26 -4.79 119.36 119.88 1x5r n ILE 11 Ca -0.00 -0.50 0.03 0.00 -1.10 0.00 0.00 62.75 61.17 1x5r n ILE 11 Cb 0.53 -0.38 0.11 0.00 -0.84 0.00 0.00 39.64 39.06 1x5r n ILE 11 CO 0.00 0.00 0.00 1.62 2.80 0.00 0.00 176.55 180.97 1x5r h VAL 12 N 0.79 0.21 -1.26 9.51 3.04 -2.06 -3.47 116.25 123.00 1x5r h VAL 12 Ca -0.38 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1x5r h VAL 12 Cb 1.41 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1x5r h VAL 12 CO 0.52 0.00 -0.05 1.57 -1.01 0.00 0.00 177.57 178.59 1x5r n HIS 13 N -5.50 -0.29 -1.40 3.17 -0.00 -1.26 -5.02 115.22 104.92 1x5r n HIS 13 Ca 0.12 0.17 0.18 0.00 0.46 0.00 0.00 57.72 58.65 1x5r n HIS 13 Cb 0.42 -2.10 -0.08 0.00 -0.12 0.00 0.00 29.99 28.11 1x5r n HIS 13 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1x5r n THR 14 N 0.11 -0.39 -2.92 3.57 -1.04 -1.26 -4.91 114.28 107.44 1x5r n THR 14 Ca 0.00 0.67 -0.24 0.00 -2.04 0.00 0.00 64.05 62.44 1x5r n THR 14 Cb 0.00 -1.14 0.01 0.00 -1.82 0.00 0.00 70.33 67.38 1x5r n THR 14 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x5r s GLU 15 N -3.67 3.17 -0.07 -2.82 2.02 -0.34 -4.98 118.70 112.01 1x5r s GLU 15 Ca 0.00 -0.31 -0.22 0.00 0.02 0.00 0.00 54.97 54.46 1x5r s GLU 15 Cb 0.00 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.77 1x5r s GLU 15 CO 0.00 -0.26 0.51 0.95 0.02 0.00 0.00 175.26 176.48 1x5r s THR 16 N -2.60 0.02 -0.05 3.63 -4.23 -1.26 -2.47 115.64 108.68 1x5r s THR 16 Ca 0.48 -0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1x5r s THR 16 Cb -0.10 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 1x5r s THR 16 CO 0.39 -0.10 -0.25 0.28 -0.54 0.00 0.00 174.62 174.41 1x5r s THR 17 N -0.91 2.10 -0.27 3.99 -1.32 -1.08 -4.94 115.64 113.21 1x5r s THR 17 Ca -0.09 -1.06 -0.09 0.00 -1.21 0.00 0.00 61.69 59.24 1x5r s THR 17 Cb -0.03 -1.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1x5r s THR 17 CO 0.06 0.57 0.13 -0.70 -2.21 0.00 0.00 174.62 172.47 1x5r s GLU 18 N -0.23 3.69 0.22 7.08 2.12 -1.26 -2.32 118.70 128.00 1x5r s GLU 18 Ca -0.01 -0.47 0.07 0.00 0.36 0.00 0.00 54.97 54.91 1x5r s GLU 18 Cb -0.13 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1x5r s GLU 18 CO 0.03 -0.24 0.15 0.08 -0.54 0.00 0.00 175.26 174.74 1x5r s VAL 19 N 1.67 4.33 -0.34 3.70 1.01 -0.53 -4.93 120.40 125.30 1x5r s VAL 19 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1x5r s VAL 19 Cb -0.16 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 33.04 1x5r s VAL 19 CO 0.07 -0.27 0.13 -0.69 0.00 0.00 0.00 175.10 174.33 1x5r s VAL 20 N -2.02 1.17 -0.03 2.92 1.01 -1.26 -2.08 120.40 120.11 1x5r s VAL 20 Ca 0.32 -1.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 1x5r s VAL 20 Cb -0.08 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1x5r s VAL 20 CO 0.24 -0.72 0.60 -0.76 0.00 0.00 0.00 175.10 174.46 1x5r s LEU 21 N 1.23 4.38 0.06 3.92 1.02 -0.75 -4.88 118.68 123.65 1x5r s LEU 21 Ca 0.12 1.12 0.09 0.00 0.02 0.00 0.00 54.13 55.48 1x5r s LEU 21 Cb -0.19 -2.93 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 1x5r s LEU 21 CO -0.17 0.04 -0.26 0.00 0.02 0.00 0.00 176.35 175.98 1x5r s GLY 23 N -1.37 -0.20 0.55 0.00 0.00 -1.22 -4.70 107.32 100.38 1x5r s GLY 23 Ca 0.12 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.01 1x5r s GLY 23 CO 0.03 4.98 0.81 0.99 0.00 0.00 0.00 173.10 179.90 1x5r s ASP 24 N -3.70 5.44 0.22 1.64 1.01 -1.15 -4.24 116.67 115.89 1x5r s ASP 24 Ca 0.28 0.31 0.25 0.00 0.71 0.00 0.00 52.55 54.09 1x5r s ASP 24 Cb 0.01 -1.29 0.90 0.00 1.01 0.00 0.00 42.92 43.55 1x5r s ASP 24 CO -0.02 -1.06 1.74 -0.81 0.21 0.00 0.00 175.17 175.23 1x5r n PRO 25 N -2.40 0.22 -0.10 8.23 -0.04 -1.25 -0.12 135.00 139.54 1x5r n PRO 25 Ca 0.05 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.64 1x5r n PRO 25 Cb 0.59 -1.82 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1x5r n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x5r n LEU 26 N -2.21 2.25 0.16 1.53 4.77 -1.26 -4.43 117.00 117.81 1x5r n LEU 26 Ca 0.04 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1x5r n LEU 26 Cb 0.33 -0.64 0.46 0.00 -2.33 0.00 0.00 43.42 41.23 1x5r n LEU 26 CO 0.25 0.64 0.88 -1.28 -1.33 0.00 0.00 177.39 176.55 1x5r h SER 27 N -0.36 0.00 0.00 -1.43 0.87 -1.95 -3.48 113.55 107.20 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 1.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1x5r h SER 27 CO -0.19 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.72 1x5r n GLY 28 N 0.55 2.46 0.00 5.77 0.00 0.83 -4.77 105.19 110.04 1x5r n GLY 28 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 11.27 0.00 0.00 1.61 3.72 -1.26 -2.94 117.46 129.86 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 4.80 -0.90 3.58 1.37 0.00 -1.26 -4.04 105.19 108.74 1x5r n GLY 30 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.68 -0.09 0.99 0.05 -1.26 -2.93 118.68 114.75 1x5r s LEU 31 Ca 0.00 1.39 0.03 0.00 0.05 0.00 0.00 54.13 55.60 1x5r s LEU 31 Cb 0.00 2.27 -0.01 0.00 -2.05 0.00 0.00 46.19 46.40 1x5r s LEU 31 CO 0.00 -0.23 -0.19 -1.10 -0.55 0.00 0.00 176.35 174.27 1x5r s GLN 32 N 0.93 2.96 0.32 1.48 -1.52 0.23 -4.98 119.66 119.08 1x5r s GLN 32 Ca -0.05 -0.80 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1x5r s GLN 32 Cb -0.05 -2.39 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 1x5r s GLN 32 CO -0.08 0.30 0.50 -0.51 -0.25 0.00 0.00 175.29 175.26 1x5r s LEU 33 N 0.07 4.08 -0.16 2.90 1.43 -1.26 0.79 118.68 126.53 1x5r s LEU 33 Ca -0.08 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1x5r s LEU 33 Cb -0.15 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.93 1x5r s LEU 33 CO 0.05 -0.25 0.05 -1.58 0.23 0.00 0.00 176.35 174.86 1x5r s GLN 34 N -4.24 0.38 0.00 1.70 0.74 0.36 -4.27 119.66 114.33 1x5r s GLN 34 Ca 0.39 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1x5r s GLN 34 Cb -0.09 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.27 1x5r s GLN 34 CO 0.34 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 1x5r n GLY 35 N 5.16 4.98 3.12 2.59 0.00 -1.26 -1.27 105.19 118.52 1x5r n GLY 35 Ca -0.08 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.32 0.11 -0.02 0.00 -1.26 -5.00 105.19 95.69 1x5r n GLY 36 Ca 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.26 1.51 -1.92 -0.61 2.08 -1.26 -4.93 119.36 108.97 1x5r n ILE 37 Ca 0.11 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 62.97 1x5r n ILE 37 Cb 0.48 -2.20 -0.03 0.00 -0.75 0.00 0.00 39.64 37.14 1x5r n ILE 37 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1x5r s PHE 38 N -2.75 2.46 0.28 1.39 0.08 -1.26 -4.87 117.98 113.30 1x5r s PHE 38 Ca -0.32 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1x5r s PHE 38 Cb 0.07 -3.97 0.64 0.00 -0.57 0.00 0.00 43.02 39.20 1x5r s PHE 38 CO 0.44 -3.86 1.70 0.00 -0.10 0.00 0.00 175.22 173.40 1x5r h ALA 39 N 8.22 1.29 -3.00 5.36 0.00 -1.98 -3.41 119.26 125.73 1x5r h ALA 39 Ca -0.43 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x5r h ALA 39 Cb 1.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x5r h ALA 39 CO 0.93 -0.32 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1x5r n THR 40 N -5.06 0.00 -1.60 0.00 -2.24 -1.26 -3.05 114.28 101.07 1x5r n THR 40 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1x5r n THR 40 Cb 0.58 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.18 -3.40 -0.71 -0.78 1.02 -1.26 -4.56 120.64 109.77 1x5r n GLU 41 Ca 0.00 2.61 -0.32 0.00 -0.02 0.00 0.00 57.16 59.44 1x5r n GLU 41 Cb 0.00 -2.81 0.15 0.00 -0.02 0.00 0.00 31.44 28.76 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 1.17 0.00 -3.34 2.62 -1.04 -1.26 -4.21 114.28 108.22 1x5r n THR 42 Ca 0.00 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.05 61.46 1x5r n THR 42 Cb 0.00 -0.78 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 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 -3.47 4.11 0.19 -4.42 1.43 0.05 -4.86 118.68 111.71 1x5r s LEU 43 Ca 0.61 0.50 0.14 0.00 -1.03 0.00 0.00 54.13 54.35 1x5r s LEU 43 Cb -0.21 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1x5r s LEU 43 CO 0.64 -0.15 1.24 0.28 0.23 0.00 0.00 176.35 178.59 1x5r h SER 44 N 7.66 0.00 -4.42 2.29 0.02 -1.89 -3.38 113.55 113.83 1x5r h SER 44 Ca -0.33 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.33 1x5r h SER 44 Cb 1.16 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1x5r h SER 44 CO 0.71 0.62 -0.67 -0.94 -1.14 0.00 0.00 176.83 175.40 1x5r s SER 45 N -6.32 1.31 0.23 3.07 1.04 -1.26 -4.97 113.70 106.80 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 0.08 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 1x5r s SER 45 CO 0.78 -0.52 1.10 -2.16 0.98 0.00 0.00 173.24 173.41 1x5r s PRO 46 N -3.88 4.63 0.50 4.02 0.04 -1.26 -4.71 135.00 134.34 1x5r s PRO 46 Ca 0.22 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1x5r s PRO 46 Cb 0.05 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 1x5r s PRO 46 CO 0.03 0.16 1.04 -1.25 0.04 0.00 0.00 177.00 177.01 1x5r s PRO 47 N -0.94 3.74 0.29 0.56 0.04 -1.25 -4.73 135.00 132.71 1x5r s PRO 47 Ca 0.47 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1x5r s PRO 47 Cb -0.31 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1x5r s PRO 47 CO 0.38 -0.48 0.43 -0.51 0.04 0.00 0.00 177.00 176.86 1x5r s LEU 48 N -3.64 4.15 -1.05 -3.56 1.43 -0.40 -1.15 118.68 114.47 1x5r s LEU 48 Ca 0.67 0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 1x5r s LEU 48 Cb -0.16 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1x5r s LEU 48 CO 0.22 -0.23 1.83 -0.69 0.23 0.00 0.00 176.35 177.72 1x5r s VAL 49 N -2.10 3.63 0.15 -1.59 1.01 -1.00 0.13 120.40 120.64 1x5r s VAL 49 Ca 0.39 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1x5r s VAL 49 Cb -0.09 -4.49 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1x5r s VAL 49 CO 0.31 -1.26 1.57 0.00 0.00 0.00 0.00 175.10 175.72 1x5r s PHE 51 N -5.84 0.44 -0.00 0.00 5.36 -1.13 -4.87 117.98 111.93 1x5r s PHE 51 Ca -0.15 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 1x5r s PHE 51 Cb 0.11 0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1x5r s PHE 51 CO 0.65 -0.89 -0.02 0.42 -1.46 0.00 0.00 175.22 173.93 1x5r s ILE 52 N -4.02 0.13 0.24 3.12 1.01 -1.26 0.75 121.20 121.18 1x5r s ILE 52 Ca 0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 1x5r s ILE 52 Cb 0.01 -0.12 -0.09 0.00 0.01 0.00 0.00 42.46 42.27 1x5r s ILE 52 CO 0.07 0.03 1.09 -1.61 0.00 0.00 0.00 174.94 174.51 1x5r s GLU 53 N -0.07 4.64 0.18 2.79 2.02 -1.15 -4.96 118.70 122.14 1x5r s GLU 53 Ca 0.00 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 1x5r s GLU 53 Cb -0.01 -3.23 -0.08 0.00 0.10 0.00 0.00 34.13 30.92 1x5r s GLU 53 CO -0.00 0.18 1.12 -1.25 0.02 0.00 0.00 175.26 175.33 1x5r s PRO 54 N -1.02 4.57 0.00 0.39 0.04 -1.26 -2.52 135.00 135.20 1x5r s PRO 54 Ca 0.46 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x5r s PRO 54 Cb -0.31 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1x5r s PRO 54 CO 0.38 0.04 0.00 -0.25 0.04 0.00 0.00 177.00 177.21 1x5r n ASP 55 N 2.41 -4.21 -4.14 6.66 8.00 -1.26 -4.98 116.55 119.04 1x5r n ASP 55 Ca 0.03 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.24 1x5r n ASP 55 Cb 0.46 -2.10 0.18 0.00 -0.02 0.00 0.00 41.12 39.65 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1x5r s SER 56 N -2.04 3.14 0.02 -2.24 1.04 -1.05 -4.88 113.70 107.69 1x5r s SER 56 Ca 0.00 0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 1x5r s SER 56 Cb 0.00 -0.23 -0.21 0.00 0.10 0.00 0.00 66.02 65.68 1x5r s SER 56 CO 0.00 -2.71 1.15 1.55 0.98 0.00 0.00 173.24 174.21 1x5r h PRO 57 N -1.58 0.46 -0.03 4.02 0.13 -1.84 -0.89 132.00 132.26 1x5r h PRO 57 Ca -0.44 -0.44 0.01 0.00 -0.87 0.00 0.00 66.00 64.26 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 1.09 0.04 0.00 -0.23 0.00 0.00 178.00 179.26 1x5r h ALA 58 N 0.38 1.49 0.14 -0.56 0.00 -1.84 -1.41 119.26 117.46 1x5r h ALA 58 Ca -0.06 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 1x5r h ALA 58 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x5r h ALA 58 CO 0.12 -0.05 -1.60 1.49 0.00 0.00 0.00 179.25 179.21 1x5r h GLU 59 N 0.00 0.30 -0.16 0.00 4.57 -1.74 -3.31 114.58 114.24 1x5r h GLU 59 Ca 0.01 -0.51 0.05 0.00 -1.18 0.00 0.00 59.36 57.73 1x5r h GLU 59 Cb 0.09 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1x5r h GLU 59 CO -0.00 1.24 0.29 0.00 -1.18 0.00 0.00 179.01 179.36 1x5r h ARG 60 N -0.13 0.00 0.00 1.92 3.08 -0.09 0.72 114.38 119.89 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 1.91 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 1x5r h ARG 60 CO 0.10 0.00 -0.13 0.00 -1.07 0.00 0.00 179.97 178.87 1x5r n GLY 62 N -0.99 0.69 0.34 0.00 0.00 0.25 -4.29 105.19 101.20 1x5r n GLY 62 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 0.67-10.28 0.99 8.10 -1.87 -3.40 115.31 109.51 1x5r h LEU 63 Ca 0.00 0.12 -0.52 0.00 0.11 0.00 0.00 57.88 57.59 1x5r h LEU 63 Cb 0.00 0.01 0.16 0.00 -0.44 0.00 0.00 40.66 40.38 1x5r h LEU 63 CO 0.00 0.19 0.29 -0.76 -4.11 0.00 0.00 178.44 174.05 1x5r s LEU 64 N -10.34 3.01 0.00 0.17 1.43 -1.26 -5.03 118.68 106.66 1x5r s LEU 64 Ca -0.11 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1x5r s LEU 64 Cb 0.25 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1x5r s LEU 64 CO 0.80 -2.46 0.00 0.00 0.23 0.00 0.00 176.35 174.91 1x5r n GLN 65 N -3.66 0.00 -1.65 1.70 10.64 -1.26 -4.97 117.38 118.19 1x5r n GLN 65 Ca 0.11 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.82 1x5r n GLN 65 Cb 0.52 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.87 1x5r n GLN 65 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1x5r n VAL 66 N -0.41 0.74 0.00 -0.39 0.31 -1.26 -1.97 118.33 115.35 1x5r n VAL 66 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1x5r n VAL 66 Cb 0.00 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 2.35 3.10 3.04 2.92 0.00 -1.20 -4.93 105.19 110.48 1x5r n GLY 67 Ca 0.13 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 0.43 -5.67 -4.17 1.61 9.92 -0.83 -4.47 116.55 113.36 1x5r n ASP 68 Ca 0.00 0.23 -0.34 0.00 -0.53 0.00 0.00 54.79 54.15 1x5r n ASP 68 Cb 0.00 -0.79 -0.15 0.00 -0.64 0.00 0.00 41.12 39.54 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 -1.98 2.99 -0.41 -1.24 3.00 -1.26 -2.36 118.95 117.68 1x5r s ARG 69 Ca 0.42 -0.85 -0.24 0.00 0.00 0.00 0.00 55.73 55.05 1x5r s ARG 69 Cb -0.21 -2.77 0.02 0.00 0.00 0.00 0.00 34.95 31.99 1x5r s ARG 69 CO 0.81 -0.27 0.86 0.08 0.00 0.00 0.00 175.30 176.78 1x5r s VAL 70 N 1.32 4.60 -0.11 3.52 1.01 -0.30 -2.85 120.40 127.59 1x5r s VAL 70 Ca 0.03 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 1x5r s VAL 70 Cb -0.15 -4.33 -0.08 0.00 0.00 0.00 0.00 36.38 31.83 1x5r s VAL 70 CO -0.09 -0.64 0.26 -0.07 0.00 0.00 0.00 175.10 174.56 1x5r h LEU 71 N 10.15 -0.02 -8.65 3.92 3.38 -0.65 -3.31 115.31 120.12 1x5r h LEU 71 Ca -0.24 -0.27 -0.27 0.00 0.09 0.00 0.00 57.88 57.19 1x5r h LEU 71 Cb 1.08 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1x5r h LEU 71 CO 0.97 0.60 -0.64 -0.94 0.09 0.00 0.00 178.44 178.53 1x5r s SER 72 N -5.69 0.80 -0.16 -0.43 1.04 -1.25 -1.29 113.70 106.72 1x5r s SER 72 Ca -0.06 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 1x5r s SER 72 Cb -0.01 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1x5r s SER 72 CO 0.20 -0.70 0.03 -0.63 0.98 0.00 0.00 173.24 173.13 1x5r s ILE 73 N -3.87 0.40 0.00 -1.02 1.01 0.48 -2.76 121.20 115.44 1x5r s ILE 73 Ca 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1x5r s ILE 73 Cb 0.07 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1x5r s ILE 73 CO 0.08 -0.08 0.00 -3.20 0.00 0.00 0.00 174.94 171.73 1x5r n ASN 74 N 5.11 -3.26 0.00 3.58 2.85 0.36 -2.06 115.26 121.83 1x5r n ASN 74 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1x5r n ASN 74 Cb 0.48 -1.18 0.00 0.00 1.24 0.00 0.00 39.78 40.32 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 -1.98 0.68 3.64 8.20 0.00 -1.26 -4.86 105.19 109.61 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 5.02 0.09 -0.61 -1.09 -0.88 -5.02 121.20 116.72 1x5r s ILE 76 Ca 0.00 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 1x5r s ILE 76 Cb 0.00 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1x5r s ILE 76 CO 0.00 0.41 1.17 0.00 -1.23 0.00 0.00 174.94 175.29 1x5r s ALA 77 N 0.67 3.38 0.29 9.38 0.00 -1.26 0.18 121.76 134.40 1x5r s ALA 77 Ca 0.05 0.83 0.19 0.00 0.00 0.00 0.00 51.96 53.04 1x5r s ALA 77 Cb -0.13 -3.42 0.86 0.00 0.00 0.00 0.00 23.12 20.44 1x5r s ALA 77 CO 0.01 -0.37 1.84 1.79 0.00 0.00 0.00 175.76 179.03 1x5r h THR 78 N 4.30 0.94 0.00 0.00 1.35 -1.49 -1.96 112.91 116.05 1x5r h THR 78 Ca -0.42 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1x5r h THR 78 Cb 1.21 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1x5r h THR 78 CO 0.78 0.31 0.00 -0.62 -0.25 0.00 0.00 175.52 175.75 1x5r n GLU 79 N -3.75 0.15 -1.12 4.72 1.02 -1.26 -1.49 120.64 118.91 1x5r n GLU 79 Ca -0.01 0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1x5r n GLU 79 Cb 0.42 -1.82 0.16 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.11 3.76 -3.63 1.62 2.03 -0.74 -4.33 116.55 113.15 1x5r n ASP 80 Ca 0.01 -3.74 -0.06 0.00 0.52 0.00 0.00 54.79 51.53 1x5r n ASP 80 Cb 0.16 -0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 39.83 1x5r n ASP 80 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x5r s GLY 81 N -2.16 -0.35 0.46 0.27 0.00 -0.56 -4.96 107.32 100.03 1x5r s GLY 81 Ca 0.52 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 1x5r s GLY 81 CO 0.03 0.16 0.75 -0.51 0.00 0.00 0.00 173.10 173.53 1x5r s THR 82 N -3.22 4.86 0.33 0.90 -4.23 -1.26 -0.77 115.64 112.24 1x5r s THR 82 Ca 0.09 0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1x5r s THR 82 Cb -0.01 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.33 1x5r s THR 82 CO -0.03 -0.77 1.63 -0.03 -0.54 0.00 0.00 174.62 174.88 1x5r h MET 83 N 0.30 0.17 -0.58 3.99 4.05 -1.72 0.97 114.93 122.11 1x5r h MET 83 Ca -0.47 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 1x5r h MET 83 Cb 1.21 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1x5r h MET 83 CO 0.61 0.11 0.15 1.49 0.23 0.00 0.00 176.91 179.51 1x5r h GLU 84 N 0.17 0.93 -0.94 0.39 4.22 -1.86 -1.97 114.58 115.50 1x5r h GLU 84 Ca 0.68 -0.22 0.06 0.00 0.08 0.00 0.00 59.36 59.97 1x5r h GLU 84 Cb 1.54 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.60 1x5r h GLU 84 CO -0.71 0.85 0.60 0.93 -2.18 0.00 0.00 179.01 178.50 1x5r h GLU 85 N 0.83 1.06 0.29 1.92 4.39 0.64 0.60 114.58 124.33 1x5r h GLU 85 Ca 0.18 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1x5r h GLU 85 Cb 0.33 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1x5r h GLU 85 CO -0.00 0.70 -0.14 0.00 -1.16 0.00 0.00 179.01 178.41 1x5r h ALA 86 N 1.43 -0.39 -0.93 3.43 0.00 -0.84 1.01 119.26 122.97 1x5r h ALA 86 Ca 0.41 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1x5r h ALA 86 Cb 0.17 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1x5r h ALA 86 CO -0.17 -0.64 0.60 -0.91 0.00 0.00 0.00 179.25 178.13 1x5r h ASN 87 N -0.56 0.97 -0.26 0.00 2.35 -0.82 -1.67 115.58 115.59 1x5r h ASN 87 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1x5r h ASN 87 Cb 0.41 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1x5r h ASN 87 CO 0.07 0.64 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.81 1x5r h GLN 88 N 1.12 0.50 -0.81 0.81 5.75 0.48 -1.89 115.11 121.07 1x5r h GLN 88 Ca 0.39 -0.19 0.21 0.00 -0.15 0.00 0.00 58.65 58.91 1x5r h GLN 88 Cb 0.11 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1x5r h GLN 88 CO -0.15 0.72 0.56 -0.07 -2.65 0.00 0.00 178.83 177.23 1x5r h LEU 89 N 0.25 0.17 -0.05 -2.39 3.38 0.19 0.51 115.31 117.38 1x5r h LEU 89 Ca 0.07 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 1x5r h LEU 89 Cb 0.53 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1x5r h LEU 89 CO 0.03 0.07 -1.05 -0.07 0.09 0.00 0.00 178.44 177.51 1x5r h LEU 90 N 0.18 0.69 0.45 1.67 3.38 -0.93 -2.71 115.31 118.04 1x5r h LEU 90 Ca 0.40 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1x5r h LEU 90 Cb 1.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1x5r h LEU 90 CO -0.07 1.39 -0.38 -0.09 0.09 0.00 0.00 178.44 179.38 1x5r h ARG 91 N 0.27 -0.79 -0.96 1.13 2.43 0.78 0.51 114.38 117.76 1x5r h ARG 91 Ca -0.12 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 1x5r h ARG 91 Cb 1.71 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 31.35 1x5r h ARG 91 CO 0.19 -0.52 0.61 0.22 -1.51 0.00 0.00 179.97 178.95 1x5r h ASP 92 N -0.82 0.75 -0.40 -3.80 3.58 -1.38 0.12 116.42 114.48 1x5r h ASP 92 Ca -0.06 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1x5r h ASP 92 Cb 0.69 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1x5r h ASP 92 CO -0.01 0.35 0.24 0.00 -2.88 0.00 0.00 179.24 176.94 1x5r h ALA 93 N 1.59 0.51 -0.77 -0.78 0.00 -1.05 -1.35 119.26 117.41 1x5r h ALA 93 Ca 0.50 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.46 1x5r h ALA 93 Cb 0.73 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1x5r h ALA 93 CO -0.26 0.01 0.50 0.00 0.00 0.00 0.00 179.25 179.49 1x5r h ALA 94 N 1.10 1.90 0.00 0.00 0.00 0.27 0.94 119.26 123.46 1x5r h ALA 94 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x5r h ALA 94 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x5r h ALA 94 CO -0.03 -0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 1x5r h LEU 95 N 0.59 0.00 -0.01 0.00 3.38 -0.40 -0.93 115.31 117.94 1x5r h LEU 95 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x5r h LEU 95 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1x5r h LEU 95 CO -0.13 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.08 1x5r n ALA 96 N -2.01 3.10 -0.93 1.53 0.00 0.32 -4.89 120.51 117.62 1x5r n ALA 96 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1x5r n ALA 96 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.47 0.00 -3.65 0.00 8.25 -0.35 -4.93 115.22 113.07 1x5r n HIS 97 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1x5r n HIS 97 Cb 0.34 -0.92 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 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 -0.85 0.97 -0.04 -0.41 2.20 -1.19 -3.44 119.74 116.97 1x5r s LYS 98 Ca 0.00 -0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 1x5r s LYS 98 Cb 0.00 0.43 0.05 0.00 -1.51 0.00 0.00 37.83 36.80 1x5r s LYS 98 CO 0.00 -0.35 0.55 0.54 -0.36 0.00 0.00 175.35 175.73 1x5r s VAL 99 N -2.85 0.02 -0.15 4.02 0.11 -0.47 -4.38 120.40 116.70 1x5r s VAL 99 Ca -0.03 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1x5r s VAL 99 Cb -0.00 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1x5r s VAL 99 CO -0.05 -0.09 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.77 1x5r s VAL 100 N -1.19 2.58 -0.02 2.04 1.01 -1.26 -1.81 120.40 121.75 1x5r s VAL 100 Ca -0.12 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1x5r s VAL 100 Cb -0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1x5r s VAL 100 CO 0.08 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 174.78 1x5r s LEU 101 N 0.76 2.68 -0.22 3.92 2.01 -0.88 0.14 118.68 127.08 1x5r s LEU 101 Ca -0.07 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 53.82 1x5r s LEU 101 Cb -0.15 -1.55 0.05 0.00 0.01 0.00 0.00 46.19 44.55 1x5r s LEU 101 CO 0.01 0.32 -0.10 -0.70 1.01 0.00 0.00 176.35 176.88 1x5r s GLU 102 N -0.95 2.07 0.09 1.70 2.12 -1.11 -1.45 118.70 121.17 1x5r s GLU 102 Ca 0.13 -1.01 0.01 0.00 0.36 0.00 0.00 54.97 54.45 1x5r s GLU 102 Cb -0.11 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1x5r s GLU 102 CO 0.02 -0.49 0.23 0.08 -0.54 0.00 0.00 175.26 174.56 1x5r s VAL 103 N 1.31 5.34 0.02 3.70 1.01 -0.98 0.11 120.40 130.90 1x5r s VAL 103 Ca -0.04 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1x5r s VAL 103 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1x5r s VAL 103 CO -0.07 0.07 -0.06 -0.70 0.00 0.00 0.00 175.10 174.34 1x5r s GLU 104 N -2.72 2.53 0.00 2.72 2.12 -1.13 -2.63 118.70 119.58 1x5r s GLU 104 Ca 0.35 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1x5r s GLU 104 Cb -0.12 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1x5r s GLU 104 CO 0.28 0.59 0.00 1.97 -0.54 0.00 0.00 175.26 177.56 1x5r n PHE 105 N 1.33 0.00 -3.30 5.30 1.16 -1.03 -4.66 117.46 116.26 1x5r n PHE 105 Ca -0.15 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 54.97 1x5r n PHE 105 Cb 0.52 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.36 1x5r n PHE 105 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1x5r s ASP 106 N 0.00 6.54 -0.30 5.98 1.47 -1.26 -1.20 116.67 127.89 1x5r s ASP 106 Ca 0.00 -2.31 -0.37 0.00 1.18 0.00 0.00 52.55 51.05 1x5r s ASP 106 Cb 0.00 -2.22 -0.13 0.00 -0.34 0.00 0.00 42.92 40.23 1x5r s ASP 106 CO 0.00 -0.71 2.03 -0.24 0.68 0.00 0.00 175.17 176.93 1x5r n SER 107 N 4.60 2.31 0.00 2.11 2.88 -1.26 -4.67 113.62 119.58 1x5r n SER 107 Ca 0.04 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1x5r n SER 107 Cb 0.44 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 5.72 3.72 3.81 0.46 0.00 -1.26 -5.04 105.19 112.60 1x5r n GLY 108 Ca 0.36 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.77 2.56 -0.03 1.61 0.04 -1.26 -5.08 135.00 129.07 1x5r s PRO 109 Ca 0.00 0.82 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 1x5r s PRO 109 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1x5r s PRO 109 CO 0.00 -1.33 0.31 -1.54 0.04 0.00 0.00 177.00 174.48 1x5r s SER 110 N -3.84 -0.21 -0.30 6.66 1.04 -1.26 -5.01 113.70 110.78 1x5r s SER 110 Ca 0.59 0.17 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 1x5r s SER 110 Cb -0.14 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1x5r s SER 110 CO 0.55 -0.39 0.24 -1.20 0.98 0.00 0.00 173.24 173.42 1x5r n SER 111 N 1.53 -7.44 0.00 7.02 7.64 -1.26 -5.31 113.62 115.80 1x5r n SER 111 Ca -0.20 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1x5r n SER 111 Cb 0.56 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64