#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 6.44 -0.43 1.61 1.04 -1.26 -5.01 113.70 116.09 1x5r s SER 2 Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1x5r s SER 2 Cb 0.00 -2.34 0.12 0.00 0.10 0.00 0.00 66.02 63.89 1x5r s SER 2 CO 0.00 -0.66 0.16 -0.44 0.98 0.00 0.00 173.24 173.28 1x5r s SER 3 N 1.85 4.62 -0.20 7.02 0.01 -1.26 -5.08 113.70 120.66 1x5r s SER 3 Ca 0.26 -2.54 -0.17 0.00 1.31 0.00 0.00 55.95 54.81 1x5r s SER 3 Cb -0.14 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1x5r s SER 3 CO 0.16 -0.32 0.45 -0.83 0.41 0.00 0.00 173.24 173.11 1x5r s GLY 4 N 0.44 2.09 -0.48 3.44 0.00 -1.26 -5.02 107.32 106.53 1x5r s GLY 4 Ca 0.14 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1x5r s GLY 4 CO -0.04 0.93 0.31 -0.56 0.00 0.00 0.00 173.10 173.73 1x5r s SER 5 N 1.09 3.36 0.39 1.64 0.01 -1.26 -4.84 113.70 114.08 1x5r s SER 5 Ca 0.21 -2.92 0.00 0.00 1.31 0.00 0.00 55.95 54.55 1x5r s SER 5 Cb -0.15 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1x5r s SER 5 CO 0.09 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.28 1x5r n SER 6 N 3.13 -3.50 0.00 2.44 2.88 -1.26 -5.15 113.62 112.16 1x5r n SER 6 Ca 0.15 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1x5r n SER 6 Cb 0.38 3.33 0.00 0.00 -0.75 0.00 0.00 64.21 67.17 1x5r n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 7 N -1.47 2.36 0.00 0.46 0.00 -1.26 -5.19 105.19 100.09 1x5r n GLY 7 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 5.13 0.00 -0.02 0.00 -1.26 -5.14 105.19 103.90 1x5r n GLY 8 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 4.40 0.55 0.73 -0.02 0.00 -1.26 -5.14 105.19 104.45 1x5r n GLY 9 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -1.72 -1.58 1.61 6.02 -1.26 -5.04 117.38 115.41 1x5r n GLN 10 Ca 0.00 1.40 0.00 0.00 -0.01 0.00 0.00 57.00 58.39 1x5r n GLN 10 Cb 0.00 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1x5r n GLN 10 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1x5r n ILE 11 N -3.01 -5.05 -3.59 5.09 5.41 -1.26 -5.08 119.36 111.87 1x5r n ILE 11 Ca -0.04 2.26 -0.15 0.00 1.00 0.00 0.00 62.75 65.82 1x5r n ILE 11 Cb 0.33 -3.09 -0.07 0.00 -0.71 0.00 0.00 39.64 36.10 1x5r n ILE 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x5r s VAL 12 N -2.06 0.00 -1.19 1.39 0.11 -1.26 -5.07 120.40 112.32 1x5r s VAL 12 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1x5r s VAL 12 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1x5r s VAL 12 CO 0.00 0.00 1.86 -2.28 -3.33 0.00 0.00 175.10 171.35 1x5r s HIS 13 N -0.28 2.19 0.01 1.54 2.46 -1.26 -4.76 115.29 115.19 1x5r s HIS 13 Ca -0.04 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.35 1x5r s HIS 13 Cb -0.03 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.19 1x5r s HIS 13 CO 0.04 -1.43 0.00 2.41 -2.47 0.00 0.00 174.74 173.29 1x5r n THR 14 N 7.39 0.00 -4.62 0.89 -1.04 -1.26 -5.02 114.28 110.62 1x5r n THR 14 Ca 0.45 0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 62.19 1x5r n THR 14 Cb 0.47 -0.03 -0.11 0.00 -1.82 0.00 0.00 70.33 68.85 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 -1.61 1.97 -0.05 -2.82 2.02 -0.17 -4.97 118.70 113.07 1x5r s GLU 15 Ca 0.00 -2.13 -0.05 0.00 0.02 0.00 0.00 54.97 52.80 1x5r s GLU 15 Cb 0.00 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.69 1x5r s GLU 15 CO 0.00 -0.11 0.14 0.95 0.02 0.00 0.00 175.26 176.27 1x5r s THR 16 N -2.78 0.01 -0.07 3.63 -4.23 -1.26 -2.84 115.64 108.10 1x5r s THR 16 Ca 0.31 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1x5r s THR 16 Cb 0.09 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1x5r s THR 16 CO 0.16 -0.06 -0.18 0.28 -0.54 0.00 0.00 174.62 174.28 1x5r s THR 17 N -0.14 1.54 -0.32 3.99 -1.32 -0.93 -4.96 115.64 113.49 1x5r s THR 17 Ca -0.02 -0.73 -0.10 0.00 -1.21 0.00 0.00 61.69 59.62 1x5r s THR 17 Cb -0.02 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 1x5r s THR 17 CO 0.00 0.44 0.18 -0.70 -2.21 0.00 0.00 174.62 172.33 1x5r s GLU 18 N 0.36 3.31 -0.12 7.08 2.12 -1.25 -2.10 118.70 128.10 1x5r s GLU 18 Ca -0.12 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 1x5r s GLU 18 Cb -0.15 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1x5r s GLU 18 CO 0.05 -0.45 0.02 0.08 -0.54 0.00 0.00 175.26 174.41 1x5r s VAL 19 N 1.63 4.41 -0.37 3.70 1.01 -0.27 -4.92 120.40 125.60 1x5r s VAL 19 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1x5r s VAL 19 Cb -0.17 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.39 1x5r s VAL 19 CO 0.07 0.56 0.14 -0.69 0.00 0.00 0.00 175.10 175.18 1x5r s VAL 20 N -0.45 3.40 0.09 2.92 1.01 -1.26 -1.10 120.40 125.01 1x5r s VAL 20 Ca 0.08 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.42 1x5r s VAL 20 Cb -0.12 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1x5r s VAL 20 CO 0.02 -0.42 0.26 -0.76 0.00 0.00 0.00 175.10 174.19 1x5r s LEU 21 N 1.25 4.33 0.05 3.92 1.43 -0.91 -4.92 118.68 123.84 1x5r s LEU 21 Ca 0.02 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1x5r s LEU 21 Cb -0.21 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1x5r s LEU 21 CO -0.01 0.13 -0.12 0.00 0.23 0.00 0.00 176.35 176.57 1x5r n GLY 23 N 1.55 0.35 3.97 0.00 0.00 -1.23 -4.79 105.19 105.03 1x5r n GLY 23 Ca -0.20 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.54 5.66 0.33 1.61 1.11 -1.16 -4.23 116.67 117.45 1x5r s ASP 24 Ca 0.17 0.08 0.26 0.00 0.18 0.00 0.00 52.55 53.24 1x5r s ASP 24 Cb -0.00 -1.22 0.89 0.00 1.07 0.00 0.00 42.92 43.66 1x5r s ASP 24 CO -0.01 -0.81 1.77 1.55 1.18 0.00 0.00 175.17 178.85 1x5r h PRO 25 N 0.37 0.00 0.00 8.23 0.13 -1.87 0.31 132.00 139.18 1x5r h PRO 25 Ca -0.44 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.26 1x5r h PRO 25 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1x5r h PRO 25 CO 0.54 0.00 -2.45 1.28 -0.23 0.00 0.00 178.00 177.14 1x5r n LEU 26 N -2.56 2.10 0.20 1.56 4.77 -1.26 -4.42 117.00 117.39 1x5r n LEU 26 Ca 0.03 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.30 1x5r n LEU 26 Cb 0.36 -0.79 0.41 0.00 -2.33 0.00 0.00 43.42 41.07 1x5r n LEU 26 CO 0.27 0.63 0.74 -1.28 -1.33 0.00 0.00 177.39 176.42 1x5r h SER 27 N -0.73 0.00 0.00 -1.43 0.87 -1.96 -3.48 113.55 106.82 1x5r h SER 27 Ca -0.64 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1x5r h SER 27 Cb 1.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1x5r h SER 27 CO -0.33 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 1x5r n GLY 28 N -0.02 2.80 0.00 5.77 0.00 0.11 -4.73 105.19 109.12 1x5r n GLY 28 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 11.21 0.00 0.00 1.61 3.72 -1.26 -2.99 117.46 129.75 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 0.04 -1.04 3.64 1.37 0.00 -1.26 -4.05 105.19 103.89 1x5r n GLY 30 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.89 -0.11 0.99 0.05 -1.26 -2.92 118.68 114.53 1x5r s LEU 31 Ca 0.00 1.45 -0.00 0.00 0.05 0.00 0.00 54.13 55.63 1x5r s LEU 31 Cb 0.00 2.34 -0.02 0.00 -2.05 0.00 0.00 46.19 46.46 1x5r s LEU 31 CO 0.00 -0.23 -0.09 -1.10 -0.55 0.00 0.00 176.35 174.38 1x5r s GLN 32 N 1.49 3.20 0.43 1.48 -1.52 0.28 -4.97 119.66 120.06 1x5r s GLN 32 Ca -0.09 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1x5r s GLN 32 Cb -0.05 -2.67 -0.01 0.00 -0.22 0.00 0.00 33.01 30.06 1x5r s GLN 32 CO -0.18 0.38 0.65 -0.51 -0.25 0.00 0.00 175.29 175.39 1x5r s LEU 33 N -0.07 3.71 -0.16 2.90 1.43 -1.26 0.76 118.68 125.99 1x5r s LEU 33 Ca -0.01 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1x5r s LEU 33 Cb -0.14 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 42.92 1x5r s LEU 33 CO 0.03 -0.62 0.10 -1.58 0.23 0.00 0.00 176.35 174.51 1x5r s GLN 34 N -4.52 0.06 0.00 1.70 0.74 0.40 -4.15 119.66 113.89 1x5r s GLN 34 Ca 0.47 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.88 1x5r s GLN 34 Cb -0.10 -1.62 0.00 0.00 1.10 0.00 0.00 33.01 32.39 1x5r s GLN 34 CO 0.38 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1x5r n GLY 35 N 5.29 5.31 3.61 2.59 0.00 -1.26 -0.97 105.19 119.75 1x5r n GLY 35 Ca -0.06 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1x5r n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5r s GLY 36 N -0.02 1.58 0.00 -0.02 0.00 -1.26 -5.03 107.32 102.57 1x5r s GLY 36 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1x5r s GLY 36 CO 0.00 0.48 0.00 1.39 0.00 0.00 0.00 173.10 174.97 1x5r n ILE 37 N -4.40 0.00 -1.41 0.90 2.08 -1.26 -4.71 119.36 110.56 1x5r n ILE 37 Ca 0.05 0.12 -0.58 0.00 0.56 0.00 0.00 62.75 62.90 1x5r n ILE 37 Cb 0.55 -0.51 -0.10 0.00 -0.75 0.00 0.00 39.64 38.83 1x5r n ILE 37 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1x5r n PHE 38 N 0.00 1.44 0.39 1.39 3.72 -1.26 -4.83 117.46 118.31 1x5r n PHE 38 Ca 0.00 0.64 -0.16 0.00 -0.05 0.00 0.00 57.45 57.88 1x5r n PHE 38 Cb 0.00 -2.37 -0.08 0.00 -0.94 0.00 0.00 39.48 36.09 1x5r n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5r h ALA 39 N 9.40 -1.02 -0.79 4.37 0.00 -1.99 -3.40 119.26 125.82 1x5r h ALA 39 Ca -0.22 -0.23 -0.41 0.00 0.00 0.00 0.00 54.91 54.05 1x5r h ALA 39 Cb 1.38 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1x5r h ALA 39 CO 1.04 -0.96 1.52 0.25 0.00 0.00 0.00 179.25 181.11 1x5r n THR 40 N -5.45 -0.04 0.00 0.00 -2.24 -1.26 -2.17 114.28 103.12 1x5r n THR 40 Ca -0.13 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1x5r n THR 40 Cb 0.41 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1x5r n THR 40 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x5r n GLU 41 N 8.53 0.00 0.00 -0.78 0.28 -1.26 -5.12 120.64 122.28 1x5r n GLU 41 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1x5r n GLU 41 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1x5r n THR 42 N 0.00 -0.68 -2.68 3.84 -1.04 -0.92 -4.94 114.28 107.87 1x5r n THR 42 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1x5r n THR 42 Cb 0.00 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.34 4.27 0.31 -4.42 1.43 0.00 -4.87 118.68 114.05 1x5r s LEU 43 Ca 0.00 1.56 0.20 0.00 -1.03 0.00 0.00 54.13 54.86 1x5r s LEU 43 Cb 0.00 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.80 1x5r s LEU 43 CO 0.00 -0.43 1.38 0.28 0.23 0.00 0.00 176.35 177.82 1x5r h SER 44 N 7.06 0.00 -4.50 2.29 0.02 -1.88 -3.37 113.55 113.18 1x5r h SER 44 Ca -0.33 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.34 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 0.84 0.23 -0.66 -0.94 -1.14 0.00 0.00 176.83 175.16 1x5r s SER 45 N -6.12 1.23 0.17 3.07 1.04 -1.26 -4.96 113.70 106.87 1x5r s SER 45 Ca 0.04 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 54.99 1x5r s SER 45 Cb 0.07 0.12 -0.07 0.00 0.10 0.00 0.00 66.02 66.23 1x5r s SER 45 CO 0.73 -0.57 1.12 -2.16 0.98 0.00 0.00 173.24 173.34 1x5r s PRO 46 N -3.91 4.56 0.65 4.02 0.04 -1.26 -4.63 135.00 134.47 1x5r s PRO 46 Ca 0.24 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1x5r s PRO 46 Cb 0.06 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1x5r s PRO 46 CO 0.04 0.02 1.06 -1.25 0.04 0.00 0.00 177.00 176.90 1x5r s PRO 47 N -0.22 3.13 0.44 0.56 0.04 -1.25 -4.69 135.00 133.02 1x5r s PRO 47 Ca 0.51 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.67 1x5r s PRO 47 Cb -0.30 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1x5r s PRO 47 CO 0.35 -0.95 0.44 -0.51 0.04 0.00 0.00 177.00 176.36 1x5r s LEU 48 N -5.08 3.33 -1.06 -3.56 1.43 -0.15 -0.98 118.68 112.62 1x5r s LEU 48 Ca 0.60 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1x5r s LEU 48 Cb -0.15 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.13 1x5r s LEU 48 CO 0.47 -0.77 1.46 -0.69 0.23 0.00 0.00 176.35 177.05 1x5r s VAL 49 N -2.50 4.08 0.11 -1.59 1.01 -1.05 0.15 120.40 120.61 1x5r s VAL 49 Ca 0.49 -1.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.04 1x5r s VAL 49 Cb -0.04 -5.05 -0.13 0.00 0.00 0.00 0.00 36.38 31.17 1x5r s VAL 49 CO 0.29 -1.89 1.54 0.00 0.00 0.00 0.00 175.10 175.03 1x5r s PHE 51 N -5.64 0.95 -0.02 0.00 5.36 -1.17 -4.84 117.98 112.62 1x5r s PHE 51 Ca -0.15 -1.19 -0.05 0.00 -0.96 0.00 0.00 56.93 54.58 1x5r s PHE 51 Cb 0.07 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1x5r s PHE 51 CO 0.60 -0.78 0.10 0.42 -1.46 0.00 0.00 175.22 174.10 1x5r s ILE 52 N -4.03 0.05 0.22 3.12 1.01 -1.26 0.10 121.20 120.40 1x5r s ILE 52 Ca 0.34 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 1x5r s ILE 52 Cb 0.04 -0.28 -0.08 0.00 0.01 0.00 0.00 42.46 42.15 1x5r s ILE 52 CO 0.12 -0.21 1.01 -1.61 0.00 0.00 0.00 174.94 174.25 1x5r s GLU 53 N -0.70 4.74 0.01 2.79 2.02 -1.15 -4.95 118.70 121.46 1x5r s GLU 53 Ca -0.08 1.60 -0.30 0.00 0.02 0.00 0.00 54.97 56.21 1x5r s GLU 53 Cb -0.05 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 1x5r s GLU 53 CO 0.01 0.32 1.19 -1.25 0.02 0.00 0.00 175.26 175.54 1x5r s PRO 54 N -0.91 4.41 0.00 0.39 0.04 -1.26 -2.34 135.00 135.32 1x5r s PRO 54 Ca 0.44 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1x5r s PRO 54 Cb -0.28 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1x5r s PRO 54 CO 0.34 -0.32 0.00 -3.47 0.04 0.00 0.00 177.00 173.59 1x5r n ASP 55 N 4.43 -2.74 -3.93 6.66 -0.08 -1.26 -5.00 116.55 114.63 1x5r n ASP 55 Ca 0.10 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.08 1x5r n ASP 55 Cb 0.47 -1.10 0.22 0.00 2.34 0.00 0.00 41.12 43.05 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 -2.20 1.95 0.06 1.67 1.04 -0.99 -4.82 113.70 110.40 1x5r s SER 56 Ca 0.00 0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.69 1x5r s SER 56 Cb 0.00 -0.54 -0.21 0.00 0.10 0.00 0.00 66.02 65.37 1x5r s SER 56 CO 0.00 -3.47 1.20 1.55 0.98 0.00 0.00 173.24 173.50 1x5r h PRO 57 N -2.14 0.63 0.00 4.02 0.13 -1.85 0.01 132.00 132.80 1x5r h PRO 57 Ca -0.44 -0.61 -0.01 0.00 -0.87 0.00 0.00 66.00 64.06 1x5r h PRO 57 Cb 1.26 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 1x5r h PRO 57 CO 0.35 1.22 -0.07 0.00 -0.23 0.00 0.00 178.00 179.27 1x5r h ALA 58 N 0.42 1.56 0.07 -0.56 0.00 -1.84 -1.43 119.26 117.49 1x5r h ALA 58 Ca -0.09 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 1x5r h ALA 58 Cb 1.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1x5r h ALA 58 CO 0.16 0.09 -1.65 1.49 0.00 0.00 0.00 179.25 179.34 1x5r h GLU 59 N 0.00 0.15 -0.43 0.00 4.57 -1.73 -3.33 114.58 113.81 1x5r h GLU 59 Ca -0.00 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 1x5r h GLU 59 Cb 0.16 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1x5r h GLU 59 CO 0.01 0.92 0.20 0.00 -1.18 0.00 0.00 179.01 178.96 1x5r h ARG 60 N 0.04 0.59 0.00 1.92 3.08 -0.02 0.37 114.38 120.37 1x5r h ARG 60 Ca -0.28 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1x5r h ARG 60 Cb 2.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.93 1x5r h ARG 60 CO 0.12 0.47 -0.13 0.00 -1.07 0.00 0.00 179.97 179.35 1x5r n GLY 62 N -1.04 1.18 0.37 0.00 0.00 0.12 -4.61 105.19 101.21 1x5r n GLY 62 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1x5r n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5r n LEU 63 N 0.00 -0.61 -4.72 0.99 4.77 -1.26 -4.36 117.00 111.81 1x5r n LEU 63 Ca 0.00 1.67 -0.35 0.00 -0.03 0.00 0.00 56.01 57.31 1x5r n LEU 63 Cb 0.00 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1x5r n LEU 63 CO 0.00 -1.51 0.82 -0.76 -1.33 0.00 0.00 177.39 174.61 1x5r s LEU 64 N -10.84 3.34 -0.21 2.23 1.43 -1.26 -5.01 118.68 108.35 1x5r s LEU 64 Ca -0.13 2.42 -0.36 0.00 -1.03 0.00 0.00 54.13 55.03 1x5r s LEU 64 Cb 0.20 -4.60 0.15 0.00 0.03 0.00 0.00 46.19 41.98 1x5r s LEU 64 CO 0.69 -2.29 1.39 -1.10 0.23 0.00 0.00 176.35 175.27 1x5r s GLN 65 N -3.83 0.06 0.03 1.70 -0.21 -1.26 -4.88 119.66 111.27 1x5r s GLN 65 Ca 0.76 -0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.81 1x5r s GLN 65 Cb -0.31 0.02 -0.08 0.00 1.00 0.00 0.00 33.01 33.64 1x5r s GLN 65 CO 0.45 -0.02 1.82 0.08 -2.12 0.00 0.00 175.29 175.50 1x5r s VAL 66 N -2.07 3.08 0.00 1.09 1.01 -1.26 -1.59 120.40 120.67 1x5r s VAL 66 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1x5r s VAL 66 Cb 0.02 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1x5r s VAL 66 CO -0.04 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1x5r n GLY 67 N 4.31 1.23 3.08 4.51 0.00 -1.18 -4.95 105.19 112.20 1x5r n GLY 67 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -2.71 -4.27 1.61 9.92 -0.62 -4.55 116.55 115.93 1x5r n ASP 68 Ca 0.00 -0.19 -0.20 0.00 -0.53 0.00 0.00 54.79 53.87 1x5r n ASP 68 Cb 0.00 -0.76 -0.11 0.00 -0.64 0.00 0.00 41.12 39.61 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 -3.06 1.10 -0.26 -1.24 3.00 -1.26 -2.54 118.95 114.69 1x5r s ARG 69 Ca 0.40 -1.28 0.01 0.00 0.00 0.00 0.00 55.73 54.87 1x5r s ARG 69 Cb -0.04 -1.07 0.07 0.00 0.00 0.00 0.00 34.95 33.92 1x5r s ARG 69 CO 0.49 0.21 -0.01 0.08 0.00 0.00 0.00 175.30 176.07 1x5r s VAL 70 N -2.02 1.57 -0.06 3.52 1.01 -0.15 -3.99 120.40 120.27 1x5r s VAL 70 Ca 0.11 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 1x5r s VAL 70 Cb -0.06 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1x5r s VAL 70 CO 0.04 -0.27 0.43 -0.07 0.00 0.00 0.00 175.10 175.23 1x5r h LEU 71 N 7.91 -0.24 -8.53 3.92 3.38 0.03 -3.32 115.31 118.45 1x5r h LEU 71 Ca -0.15 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 1x5r h LEU 71 Cb 1.05 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1x5r h LEU 71 CO 0.44 0.25 -0.65 -0.94 0.09 0.00 0.00 178.44 177.63 1x5r s SER 72 N -5.27 0.59 -0.08 -0.43 1.04 -1.24 -1.06 113.70 107.24 1x5r s SER 72 Ca -0.06 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 1x5r s SER 72 Cb 0.00 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1x5r s SER 72 CO 0.20 -0.70 -0.01 -0.63 0.98 0.00 0.00 173.24 173.08 1x5r s ILE 73 N -3.94 0.52 -0.21 -1.02 1.01 0.50 -2.49 121.20 115.58 1x5r s ILE 73 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1x5r s ILE 73 Cb 0.07 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1x5r s ILE 73 CO 0.04 0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.83 1x5r n ASN 74 N 5.10 -5.03 0.00 3.58 4.13 -0.29 -0.88 115.26 121.86 1x5r n ASN 74 Ca -0.08 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1x5r n ASN 74 Cb 0.50 -2.70 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 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 -0.36 1.10 3.23 7.41 0.00 -1.26 -4.99 105.19 110.31 1x5r n GLY 75 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 2.82 0.01 -0.61 -1.09 -0.06 -4.98 121.20 115.29 1x5r s ILE 76 Ca 0.00 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.41 1x5r s ILE 76 Cb 0.00 -2.27 -0.06 0.00 -1.58 0.00 0.00 42.46 38.55 1x5r s ILE 76 CO 0.00 0.45 1.55 0.00 -1.23 0.00 0.00 174.94 175.71 1x5r s ALA 77 N 1.39 3.63 0.50 9.38 0.00 -1.26 0.19 121.76 135.58 1x5r s ALA 77 Ca 0.05 1.00 0.26 0.00 0.00 0.00 0.00 51.96 53.27 1x5r s ALA 77 Cb -0.14 -3.67 1.53 0.00 0.00 0.00 0.00 23.12 20.84 1x5r s ALA 77 CO -0.07 -1.11 2.14 1.79 0.00 0.00 0.00 175.76 178.51 1x5r h THR 78 N 5.05 0.66 -0.01 0.00 1.35 -1.36 -0.98 112.91 117.61 1x5r h THR 78 Ca -0.40 -0.30 -0.18 0.00 -0.55 0.00 0.00 66.41 64.99 1x5r h THR 78 Cb 1.18 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1x5r h THR 78 CO 0.93 0.07 -0.79 -0.33 -0.25 0.00 0.00 175.52 175.15 1x5r h GLU 79 N 0.00 0.18 0.00 4.72 3.07 -1.73 -2.87 114.58 117.94 1x5r h GLU 79 Ca -0.00 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1x5r h GLU 79 Cb 0.18 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1x5r h GLU 79 CO 0.01 0.88 -0.09 0.22 -1.40 0.00 0.00 179.01 178.62 1x5r h ASP 80 N 0.11 0.00 -4.24 1.42 1.82 -1.39 -3.36 116.42 110.79 1x5r h ASP 80 Ca -0.03 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.20 1x5r h ASP 80 Cb 1.38 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.31 1x5r h ASP 80 CO 0.12 0.09 -0.31 0.61 -1.61 0.00 0.00 179.24 178.14 1x5r n GLY 81 N -0.12 3.70 4.03 -0.78 0.00 -1.07 -4.94 105.19 106.01 1x5r n GLY 81 Ca -0.00 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.32 2.25 0.06 2.61 -4.23 -1.26 -0.82 115.64 111.94 1x5r s THR 82 Ca 0.05 -0.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.38 1x5r s THR 82 Cb 0.00 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 1x5r s THR 82 CO 0.03 0.00 1.36 -0.03 -0.54 0.00 0.00 174.62 175.44 1x5r h MET 83 N 0.15 -0.52 -0.97 3.99 4.05 -1.87 -1.11 114.93 118.66 1x5r h MET 83 Ca -0.32 0.04 0.31 0.00 -0.28 0.00 0.00 59.70 59.45 1x5r h MET 83 Cb 1.29 0.12 -0.16 0.00 -0.80 0.00 0.00 31.60 32.05 1x5r h MET 83 CO 0.41 -0.35 0.43 1.49 0.23 0.00 0.00 176.91 179.12 1x5r h GLU 84 N -0.54 0.20 -0.54 0.39 4.22 -1.96 0.98 114.58 117.32 1x5r h GLU 84 Ca -0.02 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.43 1x5r h GLU 84 Cb 0.51 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1x5r h GLU 84 CO -0.14 0.13 0.33 0.93 -2.18 0.00 0.00 179.01 178.08 1x5r h GLU 85 N 0.20 0.65 0.89 1.92 5.08 -1.67 0.67 114.58 122.32 1x5r h GLU 85 Ca 0.70 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.98 1x5r h GLU 85 Cb 1.60 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.72 1x5r h GLU 85 CO -0.68 0.43 -0.43 0.00 -1.00 0.00 0.00 179.01 177.33 1x5r h ALA 86 N 1.23 -1.22 -0.54 3.43 0.00 0.21 0.20 119.26 122.58 1x5r h ALA 86 Ca 0.22 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1x5r h ALA 86 Cb 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1x5r h ALA 86 CO -0.09 -1.13 0.00 -0.91 0.00 0.00 0.00 179.25 177.13 1x5r h ASN 87 N -1.29 -0.22 -0.55 0.00 2.35 -0.92 0.63 115.58 115.57 1x5r h ASN 87 Ca -0.12 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1x5r h ASN 87 Cb 0.91 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.45 1x5r h ASN 87 CO 0.20 -0.08 0.22 -0.61 -1.65 0.00 0.00 177.43 175.51 1x5r h GLN 88 N 0.12 0.41 -0.99 0.81 5.75 0.49 0.15 115.11 121.85 1x5r h GLN 88 Ca 0.28 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.85 1x5r h GLN 88 Cb 0.42 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.80 1x5r h GLN 88 CO -0.45 0.27 0.63 -0.07 -2.65 0.00 0.00 178.83 176.56 1x5r h LEU 89 N 0.42 0.95 -0.70 -2.39 3.38 0.16 0.45 115.31 117.58 1x5r h LEU 89 Ca 0.27 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1x5r h LEU 89 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1x5r h LEU 89 CO -0.25 0.55 0.27 -0.07 0.09 0.00 0.00 178.44 179.03 1x5r h LEU 90 N 1.05 0.98 0.36 1.67 3.38 0.39 -1.47 115.31 121.67 1x5r h LEU 90 Ca 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1x5r h LEU 90 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1x5r h LEU 90 CO -0.23 0.89 -0.39 -0.09 0.09 0.00 0.00 178.44 178.72 1x5r h ARG 91 N 1.01 -0.73 -0.69 1.13 2.43 0.56 -0.25 114.38 117.84 1x5r h ARG 91 Ca 0.23 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 1x5r h ARG 91 Cb 0.23 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 29.84 1x5r h ARG 91 CO -0.02 -0.48 0.12 0.22 -1.51 0.00 0.00 179.97 178.30 1x5r h ASP 92 N -0.75 -0.07 -0.51 -3.80 3.58 -1.28 0.15 116.42 113.73 1x5r h ASP 92 Ca -0.05 0.14 0.10 0.00 0.42 0.00 0.00 57.03 57.65 1x5r h ASP 92 Cb 0.66 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.82 1x5r h ASP 92 CO -0.06 -0.05 -0.16 0.00 -2.88 0.00 0.00 179.24 176.09 1x5r h ALA 93 N 1.58 0.29 -0.71 -0.78 0.00 -0.72 0.29 119.26 119.20 1x5r h ALA 93 Ca 0.38 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.56 1x5r h ALA 93 Cb 0.63 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1x5r h ALA 93 CO -0.50 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 178.66 1x5r h ALA 94 N 1.44 0.98 0.00 0.00 0.00 0.10 0.70 119.26 122.49 1x5r h ALA 94 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x5r h ALA 94 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x5r h ALA 94 CO -0.55 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.00 1x5r n LEU 95 N -4.81 0.60 -0.39 0.00 4.77 0.85 0.69 117.00 118.71 1x5r n LEU 95 Ca 0.10 0.75 0.11 0.00 -0.03 0.00 0.00 56.01 56.94 1x5r n LEU 95 Cb 0.23 -0.78 0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1x5r n LEU 95 CO 0.27 -0.88 0.35 0.00 -1.33 0.00 0.00 177.39 175.80 1x5r n ALA 96 N -1.78 3.57 -1.03 -1.18 0.00 0.24 -4.92 120.51 115.40 1x5r n ALA 96 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1x5r n ALA 96 Cb 0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.31 0.00 -3.65 0.00 8.25 0.22 -4.91 115.22 114.82 1x5r n HIS 97 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 1x5r n HIS 97 Cb 0.43 -1.50 -0.05 0.00 1.12 0.00 0.00 29.99 29.99 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 -1.55 1.03 0.15 -0.41 2.36 -1.04 -3.55 119.74 116.74 1x5r s LYS 98 Ca 0.00 -0.66 -0.23 0.00 -2.55 0.00 0.00 55.97 52.53 1x5r s LYS 98 Cb 0.00 0.45 0.07 0.00 -1.05 0.00 0.00 37.83 37.30 1x5r s LYS 98 CO 0.00 -0.39 0.60 0.54 1.55 0.00 0.00 175.35 177.65 1x5r s VAL 99 N -3.58 0.00 -0.06 4.02 0.11 -0.44 -4.12 120.40 116.33 1x5r s VAL 99 Ca 0.02 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1x5r s VAL 99 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1x5r s VAL 99 CO -0.10 -0.01 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.87 1x5r s VAL 100 N -3.59 1.01 -0.04 2.04 1.01 -1.26 -2.14 120.40 117.43 1x5r s VAL 100 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1x5r s VAL 100 Cb -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1x5r s VAL 100 CO -0.12 0.33 -0.25 -0.76 0.00 0.00 0.00 175.10 174.30 1x5r s LEU 101 N 0.77 2.09 -0.27 3.92 2.01 -0.26 -1.14 118.68 125.80 1x5r s LEU 101 Ca -0.13 -0.48 0.01 0.00 0.01 0.00 0.00 54.13 53.54 1x5r s LEU 101 Cb -0.15 -1.36 0.05 0.00 0.01 0.00 0.00 46.19 44.73 1x5r s LEU 101 CO 0.02 0.28 -0.08 -0.70 1.01 0.00 0.00 176.35 176.89 1x5r s GLU 102 N -0.39 2.40 0.17 1.70 2.12 -1.04 -1.11 118.70 122.54 1x5r s GLU 102 Ca 0.03 -1.26 0.04 0.00 0.36 0.00 0.00 54.97 54.14 1x5r s GLU 102 Cb -0.12 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1x5r s GLU 102 CO 0.01 -0.55 0.25 0.08 -0.54 0.00 0.00 175.26 174.51 1x5r s VAL 103 N 1.18 5.05 -0.04 3.70 1.01 -0.89 0.76 120.40 131.18 1x5r s VAL 103 Ca -0.06 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1x5r s VAL 103 Cb -0.19 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1x5r s VAL 103 CO -0.04 -0.14 -0.25 -0.70 0.00 0.00 0.00 175.10 173.97 1x5r s GLU 104 N -3.32 2.29 -0.22 2.72 2.12 -1.26 -2.20 118.70 118.84 1x5r s GLU 104 Ca 0.33 -0.90 -0.36 0.00 0.36 0.00 0.00 54.97 54.40 1x5r s GLU 104 Cb -0.10 -2.11 0.14 0.00 0.26 0.00 0.00 34.13 32.32 1x5r s GLU 104 CO 0.27 0.50 1.26 -0.59 -0.54 0.00 0.00 175.26 176.16 1x5r s PHE 105 N -0.46 -0.09 -0.41 5.30 -0.12 -1.13 -4.69 117.98 116.37 1x5r s PHE 105 Ca 0.05 0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.76 1x5r s PHE 105 Cb -0.11 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1x5r s PHE 105 CO 0.01 -0.15 0.83 -0.51 -0.05 0.00 0.00 175.22 175.35 1x5r s ASP 106 N -2.11 6.51 -1.04 1.98 1.01 -1.26 -1.00 116.67 120.75 1x5r s ASP 106 Ca 0.10 0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.41 1x5r s ASP 106 Cb -0.01 -2.41 0.22 0.00 1.01 0.00 0.00 42.92 41.73 1x5r s ASP 106 CO -0.04 -0.87 1.10 -0.55 0.21 0.00 0.00 175.17 175.02 1x5r s SER 107 N 2.03 7.05 0.12 0.27 0.15 -1.26 -4.97 113.70 117.09 1x5r s SER 107 Ca 0.33 -3.06 0.02 0.00 0.70 0.00 0.00 55.95 53.94 1x5r s SER 107 Cb -0.12 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1x5r s SER 107 CO 0.21 -0.55 0.06 0.61 1.20 0.00 0.00 173.24 174.76 1x5r n GLY 108 N 3.66 3.79 3.48 9.45 0.00 -1.26 -5.04 105.19 119.28 1x5r n GLY 108 Ca 0.24 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 1x5r n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5r n PRO 109 N -0.27 2.37 -1.15 1.61 -0.04 -1.26 -4.95 135.00 131.31 1x5r n PRO 109 Ca -0.01 -2.78 -0.38 0.00 -0.04 0.00 0.00 63.50 60.29 1x5r n PRO 109 Cb 0.19 -3.54 0.02 0.00 -0.04 0.00 0.00 33.50 30.14 1x5r n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5r n SER 110 N 10.67 -4.47 -4.52 3.54 2.88 -1.26 -4.55 113.62 115.90 1x5r n SER 110 Ca 0.48 0.47 -0.57 0.00 -1.33 0.00 0.00 58.87 57.92 1x5r n SER 110 Cb 0.45 -0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 1x5r n SER 110 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5r n SER 111 N 2.76 1.83 0.00 -3.46 3.41 -1.26 -5.29 113.62 111.61 1x5r n SER 111 Ca 0.04 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1x5r n SER 111 Cb 0.51 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49