#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 -5.90 -4.64 1.61 2.88 -1.26 -4.69 113.62 101.62 1x5r n SER 2 Ca 0.00 0.87 -0.43 0.00 -1.33 0.00 0.00 58.87 57.98 1x5r n SER 2 Cb 0.00 -3.41 -0.02 0.00 -0.75 0.00 0.00 64.21 60.03 1x5r n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5r s SER 3 N -6.48 6.87 -0.25 -3.46 0.01 -1.26 -4.96 113.70 104.18 1x5r s SER 3 Ca 0.00 1.22 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 1x5r s SER 3 Cb 0.00 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.86 1x5r s SER 3 CO 0.00 -0.90 1.26 -0.83 0.41 0.00 0.00 173.24 173.18 1x5r s GLY 4 N 1.99 0.01 -0.71 3.44 0.00 -1.26 -5.09 107.32 105.69 1x5r s GLY 4 Ca 0.50 2.67 -0.26 0.00 0.00 0.00 0.00 44.72 47.63 1x5r s GLY 4 CO 0.17 1.17 1.83 -0.56 0.00 0.00 0.00 173.10 175.71 1x5r s SER 5 N -0.93 5.33 0.01 1.64 0.01 -1.26 -4.92 113.70 113.59 1x5r s SER 5 Ca 0.06 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1x5r s SER 5 Cb -0.01 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1x5r s SER 5 CO -0.06 -2.42 -0.02 -0.94 0.41 0.00 0.00 173.24 170.21 1x5r s SER 6 N 7.69 0.17 -0.40 2.44 1.04 -1.26 -5.11 113.70 118.27 1x5r s SER 6 Ca 0.65 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.79 1x5r s SER 6 Cb -0.10 0.06 0.16 0.00 0.10 0.00 0.00 66.02 66.24 1x5r s SER 6 CO 0.13 -0.19 0.38 -0.83 0.98 0.00 0.00 173.24 173.72 1x5r s GLY 7 N -0.94 0.43 -0.57 7.32 0.00 -1.26 -5.08 107.32 107.23 1x5r s GLY 7 Ca -0.10 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 42.88 1x5r s GLY 7 CO -0.01 2.52 0.45 -0.32 0.00 0.00 0.00 173.10 175.74 1x5r s GLY 8 N 0.73 2.25 0.00 0.20 0.00 -1.26 -4.90 107.32 104.35 1x5r s GLY 8 Ca 0.25 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.15 1x5r s GLY 8 CO -0.09 1.14 0.00 0.61 0.00 0.00 0.00 173.10 174.76 1x5r n GLY 9 N 4.48 0.81 3.28 0.20 0.00 -1.26 -5.04 105.19 107.66 1x5r n GLY 9 Ca -0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1x5r n GLY 9 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5r s GLN 10 N 0.34 2.69 -0.16 1.61 1.11 -1.26 -5.06 119.66 118.92 1x5r s GLN 10 Ca 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 55.36 53.71 1x5r s GLN 10 Cb 0.00 -3.95 -0.05 0.00 -1.01 0.00 0.00 33.01 28.00 1x5r s GLN 10 CO 0.00 -1.08 0.18 0.42 0.01 0.00 0.00 175.29 174.82 1x5r s ILE 11 N 1.47 5.39 -0.37 1.08 1.01 -1.26 -5.06 121.20 123.46 1x5r s ILE 11 Ca 0.04 0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.83 1x5r s ILE 11 Cb -0.25 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1x5r s ILE 11 CO 0.02 0.48 0.43 0.54 0.00 0.00 0.00 174.94 176.41 1x5r s VAL 12 N -0.01 5.10 -0.24 2.92 0.11 -1.26 -5.01 120.40 122.01 1x5r s VAL 12 Ca 0.12 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 1x5r s VAL 12 Cb -0.12 -3.93 0.13 0.00 -1.53 0.00 0.00 36.38 30.94 1x5r s VAL 12 CO 0.01 -0.23 0.40 -2.28 -3.33 0.00 0.00 175.10 169.68 1x5r s HIS 13 N 2.16 -0.87 0.41 1.54 5.04 -1.26 -5.12 115.29 117.18 1x5r s HIS 13 Ca 0.14 1.00 0.00 0.00 -1.54 0.00 0.00 55.06 54.66 1x5r s HIS 13 Cb -0.16 0.10 0.00 0.00 0.04 0.00 0.00 32.58 32.56 1x5r s HIS 13 CO 0.13 -0.69 0.00 2.41 -2.34 0.00 0.00 174.74 174.24 1x5r n THR 14 N 5.37 -0.08 -2.52 0.89 -1.04 -1.26 -4.90 114.28 110.74 1x5r n THR 14 Ca -0.04 0.44 -0.23 0.00 -2.04 0.00 0.00 64.05 62.18 1x5r n THR 14 Cb 0.50 -0.83 0.06 0.00 -1.82 0.00 0.00 70.33 68.24 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 -3.37 2.32 -0.18 -2.82 8.01 -0.85 -5.00 118.70 116.81 1x5r s GLU 15 Ca 0.00 -0.71 -0.19 0.00 0.01 0.00 0.00 54.97 54.09 1x5r s GLU 15 Cb 0.00 -2.39 0.05 0.00 -4.31 0.00 0.00 34.13 27.48 1x5r s GLU 15 CO 0.00 -0.96 0.52 0.95 0.01 0.00 0.00 175.26 175.79 1x5r s THR 16 N -2.94 0.00 -0.03 3.63 -4.23 -1.26 -3.50 115.64 107.31 1x5r s THR 16 Ca 0.59 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1x5r s THR 16 Cb -0.10 -0.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 1x5r s THR 16 CO 0.41 -0.01 -0.17 0.28 -0.54 0.00 0.00 174.62 174.58 1x5r s THR 17 N 0.15 1.40 -0.29 3.99 -1.32 -1.09 -4.95 115.64 113.52 1x5r s THR 17 Ca -0.01 -0.73 -0.15 0.00 -1.21 0.00 0.00 61.69 59.59 1x5r s THR 17 Cb -0.04 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 1x5r s THR 17 CO 0.01 0.40 0.37 -0.70 -2.21 0.00 0.00 174.62 172.49 1x5r s GLU 18 N -0.17 3.89 -0.25 7.08 2.12 -1.26 -1.97 118.70 128.15 1x5r s GLU 18 Ca 0.01 -0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.20 1x5r s GLU 18 Cb -0.09 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.60 1x5r s GLU 18 CO 0.01 -0.35 -0.00 0.08 -0.54 0.00 0.00 175.26 174.46 1x5r s VAL 19 N 2.06 3.56 -0.45 3.70 1.01 0.08 -4.92 120.40 125.44 1x5r s VAL 19 Ca 0.14 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1x5r s VAL 19 Cb -0.16 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1x5r s VAL 19 CO 0.11 0.29 0.33 -0.69 0.00 0.00 0.00 175.10 175.14 1x5r s VAL 20 N 1.48 4.69 -0.04 2.92 1.01 -1.26 -0.81 120.40 128.39 1x5r s VAL 20 Ca 0.04 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1x5r s VAL 20 Cb -0.15 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1x5r s VAL 20 CO -0.01 -0.57 0.25 -0.76 0.00 0.00 0.00 175.10 174.00 1x5r s LEU 21 N 1.52 4.40 -0.16 3.92 1.43 0.61 -4.89 118.68 125.50 1x5r s LEU 21 Ca 0.04 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1x5r s LEU 21 Cb -0.24 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.58 1x5r s LEU 21 CO 0.04 0.32 -0.02 0.00 0.23 0.00 0.00 176.35 176.92 1x5r s GLY 23 N 1.72 1.62 0.61 0.00 0.00 -1.24 -4.80 107.32 105.22 1x5r s GLY 23 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 42.99 1x5r s GLY 23 CO -0.07 -1.16 0.98 0.99 0.00 0.00 0.00 173.10 173.84 1x5r s ASP 24 N -3.24 6.02 0.46 1.64 1.01 -1.09 -4.15 116.67 117.32 1x5r s ASP 24 Ca 0.34 1.19 0.28 0.00 0.71 0.00 0.00 52.55 55.07 1x5r s ASP 24 Cb 0.02 -2.24 0.88 0.00 1.01 0.00 0.00 42.92 42.58 1x5r s ASP 24 CO 0.20 -0.92 1.80 1.55 0.21 0.00 0.00 175.17 178.00 1x5r h PRO 25 N -0.26 0.00 0.00 8.23 0.13 -1.81 1.16 132.00 139.45 1x5r h PRO 25 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1x5r h PRO 25 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1x5r h PRO 25 CO 0.62 0.00 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.98 1x5r h LEU 26 N 0.00 0.00 0.00 1.56 3.38 -1.93 -3.34 115.31 114.98 1x5r h LEU 26 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1x5r h LEU 26 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1x5r h LEU 26 CO 0.00 1.06 -0.18 -1.28 0.09 0.00 0.00 178.44 178.14 1x5r h SER 27 N -1.00 0.00 0.00 -0.43 0.87 -1.96 -3.49 113.55 107.54 1x5r h SER 27 Ca -0.09 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1x5r h SER 27 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1x5r h SER 27 CO -0.05 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 1x5r n GLY 28 N 1.22 2.45 0.00 5.77 0.00 0.40 -3.41 105.19 111.62 1x5r n GLY 28 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 12.45 0.00 -3.46 1.61 3.72 -1.26 -2.67 117.46 127.84 1x5r n PHE 29 Ca 0.00 -0.11 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 1x5r n PHE 29 Cb 0.00 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.11 -0.87 3.21 1.37 0.00 -1.22 -1.73 105.19 105.84 1x5r n GLY 30 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -6.01 1.03 -0.06 0.99 0.05 -1.26 -1.94 118.68 111.47 1x5r s LEU 31 Ca 0.33 -0.05 0.01 0.00 0.05 0.00 0.00 54.13 54.48 1x5r s LEU 31 Cb -0.07 1.14 0.02 0.00 -2.05 0.00 0.00 46.19 45.23 1x5r s LEU 31 CO 0.78 -0.47 -0.08 -1.10 -0.55 0.00 0.00 176.35 174.94 1x5r s GLN 32 N -1.61 1.25 0.27 1.48 -1.52 0.11 -4.95 119.66 114.69 1x5r s GLN 32 Ca -0.12 -0.25 -0.00 0.00 -1.95 0.00 0.00 55.36 53.04 1x5r s GLN 32 Cb -0.05 -1.13 -0.04 0.00 -0.22 0.00 0.00 33.01 31.57 1x5r s GLN 32 CO 0.02 -0.04 0.47 -0.51 -0.25 0.00 0.00 175.29 174.98 1x5r s LEU 33 N 0.86 4.13 -0.15 2.90 1.43 -1.26 0.17 118.68 126.76 1x5r s LEU 33 Ca -0.12 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1x5r s LEU 33 Cb -0.15 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.88 1x5r s LEU 33 CO 0.01 -0.16 0.01 -1.58 0.23 0.00 0.00 176.35 174.86 1x5r s GLN 34 N -3.80 0.77 0.00 1.70 0.74 0.51 -4.26 119.66 115.33 1x5r s GLN 34 Ca 0.39 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.52 1x5r s GLN 34 Cb -0.10 -1.76 0.00 0.00 1.10 0.00 0.00 33.01 32.24 1x5r s GLN 34 CO 0.32 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1x5r n GLY 35 N 5.05 4.30 3.29 2.59 0.00 -1.26 -1.28 105.19 117.88 1x5r n GLY 35 Ca -0.09 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.57 0.09 -0.02 0.00 -1.26 -4.94 105.19 96.48 1x5r n GLY 36 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.62 1.55 -1.53 -0.61 5.03 -2.00 -3.42 117.51 114.90 1x5r h ILE 37 Ca -0.47 -2.35 -0.44 0.00 -0.12 0.00 0.00 64.86 61.48 1x5r h ILE 37 Cb 1.32 3.11 -0.05 0.00 -3.03 0.00 0.00 36.82 38.17 1x5r h ILE 37 CO 0.33 0.57 1.13 -0.36 -0.68 0.00 0.00 178.15 179.14 1x5r s PHE 38 N -2.29 1.86 0.35 1.37 0.40 -1.26 -4.81 117.98 113.59 1x5r s PHE 38 Ca -0.20 0.49 0.12 0.00 -0.60 0.00 0.00 56.93 56.74 1x5r s PHE 38 Cb -0.00 -4.19 0.94 0.00 0.51 0.00 0.00 43.02 40.27 1x5r s PHE 38 CO 0.70 -2.06 1.76 0.00 0.70 0.00 0.00 175.22 176.31 1x5r h ALA 39 N 12.72 1.93 -0.83 5.36 0.00 -1.99 -2.96 119.26 133.49 1x5r h ALA 39 Ca -0.10 0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 1x5r h ALA 39 Cb 1.08 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1x5r h ALA 39 CO 1.24 -0.36 2.23 0.25 0.00 0.00 0.00 179.25 182.61 1x5r n THR 40 N -4.76 3.97 -3.60 0.00 -2.24 -1.26 -3.24 114.28 103.15 1x5r n THR 40 Ca 0.25 -4.02 0.02 0.00 -2.27 0.00 0.00 64.05 58.04 1x5r n THR 40 Cb 0.75 -2.45 -0.06 0.00 -2.10 0.00 0.00 70.33 66.48 1x5r n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x5r s GLU 41 N 2.58 0.06 0.98 -0.78 0.41 -1.12 -5.08 118.70 115.75 1x5r s GLU 41 Ca 0.47 0.11 -0.15 0.00 -0.41 0.00 0.00 54.97 54.98 1x5r s GLU 41 Cb 0.06 0.02 -0.08 0.00 -1.78 0.00 0.00 34.13 32.35 1x5r s GLU 41 CO 0.00 -0.01 -0.33 2.41 -0.49 0.00 0.00 175.26 176.83 1x5r n THR 42 N 3.28 0.02 -3.78 3.63 -1.04 -1.26 -3.54 114.28 111.59 1x5r n THR 42 Ca -0.16 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.05 61.10 1x5r n THR 42 Cb 0.56 -0.24 -0.13 0.00 -1.82 0.00 0.00 70.33 68.70 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 4.48 3.70 0.36 -4.42 1.43 0.12 -4.77 118.68 119.58 1x5r s LEU 43 Ca 0.47 -0.65 0.20 0.00 -1.03 0.00 0.00 54.13 53.12 1x5r s LEU 43 Cb -0.20 -1.86 0.45 0.00 0.03 0.00 0.00 46.19 44.61 1x5r s LEU 43 CO 0.77 -0.16 1.62 0.28 0.23 0.00 0.00 176.35 179.09 1x5r h SER 44 N 8.21 0.00 -4.46 2.29 0.02 -1.89 -3.38 113.55 114.35 1x5r h SER 44 Ca -0.33 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.34 1x5r h SER 44 Cb 1.13 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.53 1x5r h SER 44 CO 0.60 0.33 -0.68 -0.44 -1.14 0.00 0.00 176.83 175.50 1x5r s SER 45 N -6.32 1.28 0.28 3.07 0.01 -1.26 -5.00 113.70 105.75 1x5r s SER 45 Ca 0.03 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.88 1x5r s SER 45 Cb 0.08 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.31 1x5r s SER 45 CO 0.69 -0.51 1.08 -2.16 0.41 0.00 0.00 173.24 172.75 1x5r s PRO 46 N -3.87 4.63 0.29 12.44 0.04 -1.26 -4.75 135.00 142.51 1x5r s PRO 46 Ca 0.20 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1x5r s PRO 46 Cb 0.05 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 1x5r s PRO 46 CO 0.01 0.22 1.08 -1.25 0.04 0.00 0.00 177.00 177.10 1x5r s PRO 47 N -1.50 4.59 0.50 0.56 0.04 -1.23 -4.64 135.00 133.32 1x5r s PRO 47 Ca 0.45 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.27 1x5r s PRO 47 Cb -0.31 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1x5r s PRO 47 CO 0.39 0.19 0.69 -0.51 0.04 0.00 0.00 177.00 177.80 1x5r s LEU 48 N -1.61 3.43 -0.89 -3.56 1.43 -0.40 -0.83 118.68 116.25 1x5r s LEU 48 Ca 0.46 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 1x5r s LEU 48 Cb -0.30 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.31 1x5r s LEU 48 CO 0.38 -1.00 1.29 -0.69 0.23 0.00 0.00 176.35 176.56 1x5r s VAL 49 N -2.58 4.06 0.13 -1.59 1.01 -0.92 0.19 120.40 120.71 1x5r s VAL 49 Ca 0.57 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1x5r s VAL 49 Cb -0.10 -4.93 -0.03 0.00 0.00 0.00 0.00 36.38 31.32 1x5r s VAL 49 CO 0.36 -1.79 1.63 0.00 0.00 0.00 0.00 175.10 175.30 1x5r s PHE 51 N -6.04 0.40 0.00 0.00 2.19 -1.12 -4.87 117.98 108.53 1x5r s PHE 51 Ca -0.15 -0.76 0.00 0.00 0.33 0.00 0.00 56.93 56.35 1x5r s PHE 51 Cb 0.10 0.19 -0.00 0.00 -1.31 0.00 0.00 43.02 41.99 1x5r s PHE 51 CO 0.66 -1.01 -0.01 0.42 1.83 0.00 0.00 175.22 177.11 1x5r s ILE 52 N -3.93 0.05 0.23 3.12 1.01 -1.26 0.10 121.20 120.52 1x5r s ILE 52 Ca 0.23 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1x5r s ILE 52 Cb -0.01 -0.07 -0.09 0.00 0.01 0.00 0.00 42.46 42.31 1x5r s ILE 52 CO 0.10 -0.03 1.03 -1.61 0.00 0.00 0.00 174.94 174.42 1x5r s GLU 53 N -0.14 4.72 0.09 2.79 2.02 -0.82 -4.97 118.70 122.39 1x5r s GLU 53 Ca -0.01 1.64 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 1x5r s GLU 53 Cb -0.01 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 1x5r s GLU 53 CO -0.00 0.31 1.15 -1.25 0.02 0.00 0.00 175.26 175.49 1x5r s PRO 54 N -1.05 4.49 0.00 0.39 0.04 -1.26 -2.43 135.00 135.18 1x5r s PRO 54 Ca 0.44 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1x5r s PRO 54 Cb -0.29 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1x5r s PRO 54 CO 0.36 -0.15 0.00 -3.47 0.04 0.00 0.00 177.00 173.78 1x5r n ASP 55 N 3.48 -3.80 -4.04 6.66 -0.08 -1.26 -4.99 116.55 112.52 1x5r n ASP 55 Ca 0.07 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.05 1x5r n ASP 55 Cb 0.47 -1.62 0.20 0.00 2.34 0.00 0.00 41.12 42.50 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 -2.06 2.96 0.02 1.67 1.04 -1.02 -4.85 113.70 111.47 1x5r s SER 56 Ca 0.00 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 1x5r s SER 56 Cb 0.00 -0.15 -0.22 0.00 0.10 0.00 0.00 66.02 65.75 1x5r s SER 56 CO 0.00 -2.82 1.15 1.55 0.98 0.00 0.00 173.24 174.09 1x5r h PRO 57 N -1.69 0.45 0.00 4.02 0.13 -1.85 0.79 132.00 133.85 1x5r h PRO 57 Ca -0.44 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1x5r h PRO 57 Cb 1.22 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1x5r h PRO 57 CO 0.34 1.09 -0.02 0.00 -0.23 0.00 0.00 178.00 179.18 1x5r h ALA 58 N 0.37 1.35 0.07 -0.56 0.00 -1.50 -1.37 119.26 117.63 1x5r h ALA 58 Ca -0.06 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1x5r h ALA 58 Cb 1.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1x5r h ALA 58 CO 0.11 0.02 -1.88 -1.91 0.00 0.00 0.00 179.25 175.60 1x5r n GLU 59 N -3.62 0.70 -0.11 0.00 4.07 -1.17 -3.99 120.64 116.53 1x5r n GLU 59 Ca -0.03 0.27 0.18 0.00 -0.06 0.00 0.00 57.16 57.53 1x5r n GLU 59 Cb 0.11 -1.74 0.58 0.00 -0.06 0.00 0.00 31.44 30.33 1x5r n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x5r h ARG 60 N 0.04 0.24 0.00 5.31 3.08 0.30 0.85 114.38 124.19 1x5r h ARG 60 Ca -0.37 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1x5r h ARG 60 Cb 2.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 1x5r h ARG 60 CO 0.08 0.16 -0.17 0.00 -1.07 0.00 0.00 179.97 178.97 1x5r n GLY 62 N -0.90 0.68 0.55 0.00 0.00 0.29 -4.31 105.19 101.50 1x5r n GLY 62 Ca -0.02 -0.01 0.37 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -9.36 0.99 8.10 -1.87 -3.37 115.31 109.80 1x5r h LEU 63 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.44 1x5r h LEU 63 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1x5r h LEU 63 CO 0.00 0.00 0.29 -0.22 -4.11 0.00 0.00 178.44 174.40 1x5r s LEU 64 N -8.26 4.32 0.02 0.17 0.20 -1.26 -5.03 118.68 108.84 1x5r s LEU 64 Ca -0.05 1.44 -0.20 0.00 0.69 0.00 0.00 54.13 56.01 1x5r s LEU 64 Cb 0.23 -3.37 0.04 0.00 -0.43 0.00 0.00 46.19 42.66 1x5r s LEU 64 CO 0.81 -0.24 0.45 0.00 -0.29 0.00 0.00 176.35 177.08 1x5r s GLN 65 N 1.14 0.91 0.15 1.98 -2.07 -1.26 -4.79 119.66 115.72 1x5r s GLN 65 Ca 0.45 -0.21 -0.33 0.00 -1.82 0.00 0.00 55.36 53.46 1x5r s GLN 65 Cb -0.19 0.41 -0.17 0.00 -1.09 0.00 0.00 33.01 31.97 1x5r s GLN 65 CO 0.22 -0.30 1.00 0.28 -1.32 0.00 0.00 175.29 175.17 1x5r n VAL 66 N 0.71 1.02 0.00 3.63 0.31 -1.26 -1.70 118.33 121.03 1x5r n VAL 66 Ca -0.19 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1x5r n VAL 66 Cb 0.59 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.86 3.08 3.42 2.92 0.00 -1.10 -4.91 105.19 110.47 1x5r n GLY 67 Ca 0.16 -1.04 -0.48 0.00 0.00 0.00 0.00 46.02 44.67 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 0.41 -1.02 -4.72 1.61 9.92 -0.69 -4.40 116.55 117.66 1x5r n ASP 68 Ca 0.00 1.13 -0.36 0.00 -0.53 0.00 0.00 54.79 55.03 1x5r n ASP 68 Cb 0.00 -0.98 -0.07 0.00 -0.64 0.00 0.00 41.12 39.43 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 -1.02 4.23 -0.35 -1.24 3.00 -1.26 -2.17 118.95 120.13 1x5r s ARG 69 Ca 0.64 -0.01 -0.15 0.00 0.00 0.00 0.00 55.73 56.21 1x5r s ARG 69 Cb -0.92 -3.44 -0.01 0.00 0.00 0.00 0.00 34.95 30.59 1x5r s ARG 69 CO 0.56 0.23 0.36 0.08 0.00 0.00 0.00 175.30 176.54 1x5r s VAL 70 N 0.52 5.17 -0.13 3.52 1.01 -0.01 -3.11 120.40 127.37 1x5r s VAL 70 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1x5r s VAL 70 Cb -0.12 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1x5r s VAL 70 CO 0.02 -0.12 0.18 -0.07 0.00 0.00 0.00 175.10 175.11 1x5r h LEU 71 N 8.77 0.00 -8.76 3.92 3.38 -1.16 -3.26 115.31 118.20 1x5r h LEU 71 Ca -0.29 -0.30 -0.31 0.00 0.09 0.00 0.00 57.88 57.07 1x5r h LEU 71 Cb 1.14 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 1x5r h LEU 71 CO 0.70 0.75 -0.60 -0.94 0.09 0.00 0.00 178.44 178.44 1x5r s SER 72 N -5.86 0.76 -0.16 -0.43 1.04 -1.24 -1.77 113.70 106.04 1x5r s SER 72 Ca -0.10 -1.44 -0.02 0.00 0.48 0.00 0.00 55.95 54.87 1x5r s SER 72 Cb 0.00 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1x5r s SER 72 CO 0.26 -0.83 0.01 -0.63 0.98 0.00 0.00 173.24 173.03 1x5r s ILE 73 N -3.91 0.56 -0.01 -1.02 1.01 0.51 -2.91 121.20 115.44 1x5r s ILE 73 Ca 0.38 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1x5r s ILE 73 Cb 0.07 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1x5r s ILE 73 CO 0.14 -0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.63 1x5r n ASN 74 N 5.05 -4.68 0.00 3.58 3.02 0.52 -1.17 115.26 121.57 1x5r n ASN 74 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1x5r n ASN 74 Cb 0.48 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 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 -0.76 0.83 3.70 7.41 0.00 -1.26 -4.92 105.19 110.19 1x5r n GLY 75 Ca -0.00 0.00 -0.36 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 5.35 -0.03 -0.61 -1.09 -0.32 -5.02 121.20 117.47 1x5r s ILE 76 Ca 0.00 0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.29 1x5r s ILE 76 Cb 0.00 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1x5r s ILE 76 CO 0.00 0.41 1.25 0.00 -1.23 0.00 0.00 174.94 175.37 1x5r s ALA 77 N 0.62 3.51 -0.08 9.38 0.00 -1.26 0.19 121.76 134.13 1x5r s ALA 77 Ca 0.08 0.70 0.30 0.00 0.00 0.00 0.00 51.96 53.04 1x5r s ALA 77 Cb -0.12 -3.53 1.05 0.00 0.00 0.00 0.00 23.12 20.52 1x5r s ALA 77 CO 0.01 -0.78 1.87 1.79 0.00 0.00 0.00 175.76 178.64 1x5r h THR 78 N 4.96 0.00 0.00 0.00 1.35 -1.66 -2.48 112.91 115.08 1x5r h THR 78 Ca -0.36 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1x5r h THR 78 Cb 1.17 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1x5r h THR 78 CO 0.88 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.82 1x5r h GLU 79 N 0.00 0.00 -0.80 4.72 5.08 -1.75 -3.00 114.58 118.84 1x5r h GLU 79 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1x5r h GLU 79 Cb 0.65 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 1x5r h GLU 79 CO 0.00 0.00 0.32 -3.47 -1.00 0.00 0.00 179.01 174.86 1x5r n ASP 80 N -2.79 4.68 -0.84 1.42 -0.08 -0.93 -4.25 116.55 113.76 1x5r n ASP 80 Ca 0.04 -3.24 0.00 0.00 -1.51 0.00 0.00 54.79 50.09 1x5r n ASP 80 Cb 0.47 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5r n GLY 81 N -0.24 2.34 3.82 0.27 0.00 -1.13 -4.98 105.19 105.26 1x5r n GLY 81 Ca 0.43 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.89 4.44 0.14 2.61 -4.23 -1.26 0.11 115.64 114.54 1x5r s THR 82 Ca 0.00 -1.39 -0.33 0.00 -1.18 0.00 0.00 61.69 58.80 1x5r s THR 82 Cb 0.00 -3.39 -0.10 0.00 1.34 0.00 0.00 72.50 70.35 1x5r s THR 82 CO 0.00 -0.33 1.55 -0.03 -0.54 0.00 0.00 174.62 175.26 1x5r h MET 83 N 1.57 -0.30 -0.54 3.99 4.05 -1.59 -1.08 114.93 121.03 1x5r h MET 83 Ca -0.48 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.03 1x5r h MET 83 Cb 1.24 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 32.00 1x5r h MET 83 CO 0.61 -0.20 -0.48 1.05 0.23 0.00 0.00 176.91 178.12 1x5r h GLU 84 N -0.31 -0.27 -0.98 0.39 4.11 -1.90 -0.24 114.58 115.38 1x5r h GLU 84 Ca 0.09 0.02 0.13 0.00 0.07 0.00 0.00 59.36 59.67 1x5r h GLU 84 Cb 0.55 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.72 1x5r h GLU 84 CO -0.68 -0.18 -0.44 0.39 0.07 0.00 0.00 179.01 178.17 1x5r n GLU 85 N -5.39 -0.29 -0.16 1.06 -0.58 -0.47 0.19 120.64 115.00 1x5r n GLU 85 Ca -0.00 1.50 -0.03 0.00 -0.42 0.00 0.00 57.16 58.20 1x5r n GLU 85 Cb 0.34 -2.21 0.03 0.00 -0.57 0.00 0.00 31.44 29.03 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 1.08 0.25 -0.13 0.62 0.00 -0.42 0.54 119.26 121.19 1x5r h ALA 86 Ca 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1x5r h ALA 86 Cb 0.53 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1x5r h ALA 86 CO -0.95 -0.49 0.06 -0.91 0.00 0.00 0.00 179.25 176.95 1x5r h ASN 87 N -0.06 0.18 -0.90 0.00 2.35 0.12 -2.20 115.58 115.08 1x5r h ASN 87 Ca 0.24 -0.16 0.19 0.00 -0.55 0.00 0.00 56.30 56.03 1x5r h ASN 87 Cb 0.42 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 1x5r h ASN 87 CO -0.55 0.29 0.59 -0.61 -1.65 0.00 0.00 177.43 175.50 1x5r h GLN 88 N 0.06 0.45 -0.21 0.81 5.75 0.38 0.13 115.11 122.49 1x5r h GLN 88 Ca 0.04 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1x5r h GLN 88 Cb 0.16 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1x5r h GLN 88 CO -0.00 0.30 0.08 -0.07 -2.65 0.00 0.00 178.83 176.48 1x5r h LEU 89 N 0.46 0.30 -1.62 -2.39 3.38 0.60 -1.28 115.31 114.76 1x5r h LEU 89 Ca 0.47 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1x5r h LEU 89 Cb 1.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1x5r h LEU 89 CO -0.19 0.39 0.35 -0.07 0.09 0.00 0.00 178.44 179.01 1x5r h LEU 90 N 0.19 0.40 0.22 1.67 -0.00 -0.39 0.34 115.31 117.74 1x5r h LEU 90 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1x5r h LEU 90 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1x5r h LEU 90 CO -0.01 0.26 -0.10 -0.09 -0.00 0.00 0.00 178.44 178.50 1x5r h ARG 91 N 0.46 -0.28 -0.70 1.13 2.43 -0.52 0.51 114.38 117.41 1x5r h ARG 91 Ca 0.23 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.62 1x5r h ARG 91 Cb 0.33 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1x5r h ARG 91 CO -0.06 -0.19 0.51 0.22 -1.51 0.00 0.00 179.97 178.94 1x5r h ASP 92 N -0.37 0.00 0.62 -3.80 1.82 -1.07 1.01 116.42 114.64 1x5r h ASP 92 Ca -0.03 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.43 1x5r h ASP 92 Cb 0.22 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 1x5r h ASP 92 CO 0.05 0.00 -0.79 0.00 -1.61 0.00 0.00 179.24 176.88 1x5r h ALA 93 N 1.64 0.65 -0.23 -0.78 0.00 -0.20 -3.06 119.26 117.28 1x5r h ALA 93 Ca 0.33 -0.69 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1x5r h ALA 93 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x5r h ALA 93 CO -0.00 0.90 -0.42 0.00 0.00 0.00 0.00 179.25 179.73 1x5r h ALA 94 N 1.11 0.83 0.00 0.00 0.00 0.62 -1.81 119.26 120.01 1x5r h ALA 94 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x5r h ALA 94 Cb 1.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x5r h ALA 94 CO 0.11 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.29 1x5r n LEU 95 N -4.02 0.46 0.05 0.00 4.77 -0.18 -0.78 117.00 117.30 1x5r n LEU 95 Ca -0.02 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 1x5r n LEU 95 Cb 0.53 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1x5r n LEU 95 CO 0.45 -0.60 -0.35 0.00 -1.33 0.00 0.00 177.39 175.57 1x5r n ALA 96 N -1.70 2.67 -1.00 -1.18 0.00 -0.72 -4.95 120.51 113.63 1x5r n ALA 96 Ca 0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 1x5r n ALA 96 Cb 0.15 -0.94 -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 -2.47 0.00 -3.71 0.00 8.25 0.04 -5.00 115.22 112.32 1x5r n HIS 97 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1x5r n HIS 97 Cb 0.56 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.54 0.58 -0.18 -0.41 2.36 -1.10 -3.64 119.74 116.80 1x5r s LYS 98 Ca 0.00 0.51 -0.15 0.00 -2.55 0.00 0.00 55.97 53.78 1x5r s LYS 98 Cb 0.00 0.28 0.05 0.00 -1.05 0.00 0.00 37.83 37.11 1x5r s LYS 98 CO 0.00 -0.09 0.47 0.54 1.55 0.00 0.00 175.35 177.82 1x5r s VAL 99 N -0.02 -0.00 -0.04 4.02 0.11 0.34 -4.47 120.40 120.34 1x5r s VAL 99 Ca -0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1x5r s VAL 99 Cb -0.03 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1x5r s VAL 99 CO 0.02 0.01 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.05 1x5r s VAL 100 N 0.52 3.80 0.05 2.04 1.01 -1.26 -0.28 120.40 126.29 1x5r s VAL 100 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1x5r s VAL 100 Cb -0.04 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1x5r s VAL 100 CO -0.03 0.50 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 1x5r s LEU 101 N -1.13 2.30 -0.23 3.92 1.43 0.01 0.19 118.68 125.17 1x5r s LEU 101 Ca 0.15 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1x5r s LEU 101 Cb -0.11 -0.12 0.06 0.00 0.03 0.00 0.00 46.19 46.05 1x5r s LEU 101 CO 0.05 -0.26 -0.09 -0.70 0.23 0.00 0.00 176.35 175.58 1x5r s GLU 102 N -1.97 1.94 0.35 1.70 2.12 -1.14 -0.74 118.70 120.96 1x5r s GLU 102 Ca -0.07 -1.06 -0.01 0.00 0.36 0.00 0.00 54.97 54.19 1x5r s GLU 102 Cb -0.07 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 1x5r s GLU 102 CO -0.01 -0.54 0.58 0.08 -0.54 0.00 0.00 175.26 174.83 1x5r s VAL 103 N 1.30 5.07 -0.05 3.70 1.01 -0.83 -0.59 120.40 130.01 1x5r s VAL 103 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1x5r s VAL 103 Cb -0.18 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1x5r s VAL 103 CO -0.06 -0.55 -0.21 -0.70 0.00 0.00 0.00 175.10 173.58 1x5r s GLU 104 N -4.22 2.12 0.03 2.72 2.12 -1.18 -2.68 118.70 117.61 1x5r s GLU 104 Ca 0.42 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.79 1x5r s GLU 104 Cb -0.10 -1.82 0.07 0.00 0.26 0.00 0.00 34.13 32.54 1x5r s GLU 104 CO 0.36 0.31 1.00 1.97 -0.54 0.00 0.00 175.26 178.36 1x5r n PHE 105 N 3.05 -0.56 -3.87 5.30 1.16 -1.23 -4.59 117.46 116.72 1x5r n PHE 105 Ca -0.18 -0.70 -0.35 0.00 -1.87 0.00 0.00 57.45 54.34 1x5r n PHE 105 Cb 0.53 0.33 -0.13 0.00 -1.61 0.00 0.00 39.48 38.59 1x5r n PHE 105 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1x5r s ASP 106 N -3.26 4.99 -0.88 5.98 1.01 -1.26 -2.00 116.67 121.26 1x5r s ASP 106 Ca 0.23 -1.30 -0.25 0.00 0.71 0.00 0.00 52.55 51.95 1x5r s ASP 106 Cb -0.01 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.17 1x5r s ASP 106 CO 0.01 -0.29 1.71 -0.55 0.21 0.00 0.00 175.17 176.26 1x5r s SER 107 N 1.32 5.69 0.06 0.27 0.15 -1.26 -4.90 113.70 115.02 1x5r s SER 107 Ca -0.04 -0.73 0.01 0.00 0.70 0.00 0.00 55.95 55.89 1x5r s SER 107 Cb -0.20 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1x5r s SER 107 CO -0.01 -2.21 0.02 0.61 1.20 0.00 0.00 173.24 172.85 1x5r n GLY 108 N 6.52 3.98 0.08 9.45 0.00 -1.26 -5.08 105.19 118.89 1x5r n GLY 108 Ca 0.31 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1x5r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5r h PRO 109 N 0.00 0.10 -4.91 1.61 0.13 -2.02 -3.50 132.00 123.40 1x5r h PRO 109 Ca -0.04 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1x5r h PRO 109 Cb 0.17 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.26 1x5r h PRO 109 CO 0.07 0.82 -1.13 0.45 -0.23 0.00 0.00 178.00 177.98 1x5r n SER 110 N -4.62 -4.69 -4.65 1.44 2.88 -1.26 -4.67 113.62 98.05 1x5r n SER 110 Ca -0.09 1.53 -0.66 0.00 -1.33 0.00 0.00 58.87 58.32 1x5r n SER 110 Cb 0.43 -4.75 -0.10 0.00 -0.75 0.00 0.00 64.21 59.04 1x5r n SER 110 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5r n SER 111 N 1.86 1.00 0.00 -3.46 2.88 -1.26 -5.30 113.62 109.34 1x5r n SER 111 Ca -0.19 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1x5r n SER 111 Cb 0.30 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42