#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 5.24 -0.19 1.61 0.01 -1.26 -5.05 113.70 114.06 1x5r s SER 2 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1x5r s SER 2 Cb 0.00 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.76 1x5r s SER 2 CO 0.00 -1.54 -0.07 -0.44 0.41 0.00 0.00 173.24 171.60 1x5r s SER 3 N -3.45 3.17 0.00 2.44 0.01 -1.26 -5.04 113.70 109.58 1x5r s SER 3 Ca 0.60 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1x5r s SER 3 Cb -0.15 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1x5r s SER 3 CO 0.51 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1x5r n GLY 4 N 4.79 -0.40 1.70 3.44 0.00 -1.26 -5.16 105.19 108.30 1x5r n GLY 4 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5r n SER 5 N 0.00 -8.79 -3.65 1.61 2.88 -1.26 -5.08 113.62 99.32 1x5r n SER 5 Ca 0.00 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1x5r n SER 5 Cb 0.00 -4.51 -0.06 0.00 -0.75 0.00 0.00 64.21 58.89 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 -1.90 -0.18 0.00 -3.46 0.15 -1.26 -5.19 113.70 101.87 1x5r s SER 6 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1x5r s SER 6 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1x5r s SER 6 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x5r n GLY 7 N 3.05 5.16 0.00 9.45 0.00 -1.26 -5.19 105.19 116.41 1x5r n GLY 7 Ca -0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.46 1.75 0.00 -0.02 0.00 -1.26 -5.17 105.19 100.95 1x5r n GLY 8 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.39 3.97 3.59 -0.02 0.00 -1.26 -5.10 105.19 105.98 1x5r n GLY 9 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 3.05 3.85 0.12 1.61 1.11 -1.26 -5.01 119.66 123.13 1x5r s GLN 10 Ca 0.00 0.31 -0.31 0.00 0.01 0.00 0.00 55.36 55.37 1x5r s GLN 10 Cb 0.00 -3.75 -0.09 0.00 -1.01 0.00 0.00 33.01 28.15 1x5r s GLN 10 CO 0.00 -0.66 1.62 0.42 0.01 0.00 0.00 175.29 176.68 1x5r s ILE 11 N 2.76 2.81 -0.35 1.08 -1.09 -1.26 -4.90 121.20 120.24 1x5r s ILE 11 Ca 0.27 0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 58.85 1x5r s ILE 11 Cb -0.14 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1x5r s ILE 11 CO 0.13 0.02 1.66 -0.69 -1.23 0.00 0.00 174.94 174.83 1x5r s VAL 12 N 1.91 3.62 -0.04 2.92 1.01 -1.26 -4.88 120.40 123.68 1x5r s VAL 12 Ca 0.72 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 1x5r s VAL 12 Cb -0.42 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1x5r s VAL 12 CO 0.32 -0.52 0.10 -0.74 0.00 0.00 0.00 175.10 174.27 1x5r h HIS 13 N 12.05 -0.04 -0.69 5.22 2.76 -2.01 -3.48 115.15 128.95 1x5r h HIS 13 Ca -0.32 -0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.22 1x5r h HIS 13 Cb 1.15 0.01 -0.10 0.00 1.55 0.00 0.00 27.41 30.02 1x5r h HIS 13 CO 0.96 -0.03 -0.46 0.99 -1.30 0.00 0.00 177.93 178.09 1x5r s THR 14 N -1.49 1.52 0.34 6.26 2.01 -1.26 -4.93 115.64 118.10 1x5r s THR 14 Ca -0.01 -1.83 0.09 0.00 0.31 0.00 0.00 61.69 60.26 1x5r s THR 14 Cb 0.00 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 1x5r s THR 14 CO 0.02 0.00 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.27 1x5r s GLU 15 N -3.97 1.88 -0.00 4.92 2.02 0.24 -4.98 118.70 118.81 1x5r s GLU 15 Ca 0.20 -1.89 -0.01 0.00 0.02 0.00 0.00 54.97 53.30 1x5r s GLU 15 Cb 0.02 -1.76 -0.00 0.00 0.10 0.00 0.00 34.13 32.48 1x5r s GLU 15 CO 0.12 0.14 0.01 0.95 0.02 0.00 0.00 175.26 176.50 1x5r s THR 16 N -2.58 0.03 0.01 3.63 -4.23 -1.26 -1.93 115.64 109.31 1x5r s THR 16 Ca 0.33 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1x5r s THR 16 Cb 0.02 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.72 1x5r s THR 16 CO 0.17 -0.15 -0.21 0.28 -0.54 0.00 0.00 174.62 174.17 1x5r s THR 17 N -0.44 1.70 -0.22 3.99 -1.32 -0.75 -4.96 115.64 113.64 1x5r s THR 17 Ca -0.05 -1.06 -0.05 0.00 -1.21 0.00 0.00 61.69 59.32 1x5r s THR 17 Cb -0.03 -1.44 -0.02 0.00 -1.51 0.00 0.00 72.50 69.49 1x5r s THR 17 CO -0.00 0.36 0.01 -0.70 -2.21 0.00 0.00 174.62 172.07 1x5r s GLU 18 N -0.82 3.54 -0.11 7.08 2.12 -1.26 -2.11 118.70 127.13 1x5r s GLU 18 Ca 0.08 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1x5r s GLU 18 Cb -0.09 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 1x5r s GLU 18 CO 0.00 -0.13 -0.14 0.08 -0.54 0.00 0.00 175.26 174.54 1x5r s VAL 19 N 1.37 3.02 -0.32 3.70 1.01 -0.34 -4.93 120.40 123.90 1x5r s VAL 19 Ca 0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1x5r s VAL 19 Cb -0.15 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1x5r s VAL 19 CO 0.01 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1x5r s VAL 20 N 0.15 3.36 -0.09 2.92 1.01 -1.26 -0.73 120.40 125.76 1x5r s VAL 20 Ca -0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.54 1x5r s VAL 20 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1x5r s VAL 20 CO 0.05 -0.18 0.14 -0.76 0.00 0.00 0.00 175.10 174.35 1x5r s LEU 21 N 1.31 4.32 -0.19 3.92 1.43 -0.61 -4.93 118.68 123.93 1x5r s LEU 21 Ca -0.03 0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1x5r s LEU 21 Cb -0.20 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 43.88 1x5r s LEU 21 CO 0.00 0.37 -0.05 0.00 0.23 0.00 0.00 176.35 176.90 1x5r s GLY 23 N 1.54 0.43 0.52 0.00 0.00 -1.24 -4.92 107.32 103.65 1x5r s GLY 23 Ca -0.02 -0.78 -0.14 0.00 0.00 0.00 0.00 44.72 43.78 1x5r s GLY 23 CO -0.07 -0.53 0.96 0.99 0.00 0.00 0.00 173.10 174.44 1x5r s ASP 24 N -3.00 6.52 0.17 1.64 1.01 -1.13 -4.15 116.67 117.73 1x5r s ASP 24 Ca 0.20 1.46 0.01 0.00 0.71 0.00 0.00 52.55 54.94 1x5r s ASP 24 Cb -0.02 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.48 1x5r s ASP 24 CO 0.09 -0.62 1.41 1.55 0.21 0.00 0.00 175.17 177.81 1x5r h PRO 25 N 0.70 0.26 0.41 8.23 0.13 -1.79 1.41 132.00 141.35 1x5r h PRO 25 Ca -0.46 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1x5r h PRO 25 Cb 1.19 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1x5r h PRO 25 CO 0.62 0.94 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.92 1x5r h LEU 26 N 0.16 -0.90 0.00 1.56 -0.00 -1.93 -2.95 115.31 111.25 1x5r h LEU 26 Ca -0.04 0.07 -0.14 0.00 -0.00 0.00 0.00 57.88 57.77 1x5r h LEU 26 Cb 1.41 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 42.34 1x5r h LEU 26 CO 0.13 -0.50 -0.98 0.28 -0.00 0.00 0.00 178.44 177.38 1x5r h SER 27 N -0.75 0.00 0.00 -0.43 0.02 -1.98 -3.50 113.55 106.91 1x5r h SER 27 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1x5r h SER 27 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1x5r h SER 27 CO -0.02 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1x5r n GLY 28 N 1.31 1.11 0.00 -3.77 0.00 0.48 -4.78 105.19 99.54 1x5r n GLY 28 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 6.79 0.00 0.00 1.61 3.72 -1.26 -2.82 117.46 125.49 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 3.11 -1.12 3.43 1.37 0.00 -1.26 -4.05 105.19 106.68 1x5r n GLY 30 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.44 -0.16 0.99 0.05 -1.26 -2.76 118.68 115.09 1x5r s LEU 31 Ca 0.00 1.16 -0.03 0.00 0.05 0.00 0.00 54.13 55.32 1x5r s LEU 31 Cb 0.00 1.81 -0.02 0.00 -2.05 0.00 0.00 46.19 45.93 1x5r s LEU 31 CO 0.00 -0.21 -0.06 -1.10 -0.55 0.00 0.00 176.35 174.42 1x5r s GLN 32 N 1.43 3.52 0.47 1.48 -1.52 0.12 -4.99 119.66 120.17 1x5r s GLN 32 Ca -0.09 -0.59 -0.04 0.00 -1.95 0.00 0.00 55.36 52.69 1x5r s GLN 32 Cb -0.07 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 29.83 1x5r s GLN 32 CO -0.15 0.13 0.75 -0.51 -0.25 0.00 0.00 175.29 175.26 1x5r s LEU 33 N 0.63 3.66 -0.14 2.90 1.43 -1.26 0.14 118.68 126.03 1x5r s LEU 33 Ca -0.04 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1x5r s LEU 33 Cb -0.15 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.38 1x5r s LEU 33 CO 0.03 -0.57 0.07 -1.58 0.23 0.00 0.00 176.35 174.52 1x5r s GLN 34 N -4.69 0.18 0.00 1.70 0.74 0.49 -4.22 119.66 113.87 1x5r s GLN 34 Ca 0.47 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.83 1x5r s GLN 34 Cb -0.10 -1.58 0.00 0.00 1.10 0.00 0.00 33.01 32.43 1x5r s GLN 34 CO 0.43 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1x5r n GLY 35 N 5.23 4.95 3.11 2.59 0.00 -1.26 -0.64 105.19 119.17 1x5r n GLY 35 Ca -0.07 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.79 0.12 -0.02 0.00 -1.26 -4.96 105.19 96.28 1x5r n GLY 36 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.83 0.79 -3.26 -0.61 5.03 -1.99 -3.45 117.51 111.19 1x5r h ILE 37 Ca -0.33 -2.26 -0.59 0.00 -0.12 0.00 0.00 64.86 61.56 1x5r h ILE 37 Cb 0.98 2.37 -0.08 0.00 -3.03 0.00 0.00 36.82 37.07 1x5r h ILE 37 CO 0.21 0.59 0.64 -0.36 -0.68 0.00 0.00 178.15 178.56 1x5r s PHE 38 N -2.46 3.26 0.29 1.37 0.40 -1.26 -4.92 117.98 114.67 1x5r s PHE 38 Ca -0.25 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 57.28 1x5r s PHE 38 Cb 0.06 -3.30 0.73 0.00 0.51 0.00 0.00 43.02 41.02 1x5r s PHE 38 CO 0.68 -0.54 1.63 0.00 0.70 0.00 0.00 175.22 177.69 1x5r h ALA 39 N 7.79 1.27 -3.00 5.36 0.00 -1.98 -3.40 119.26 125.30 1x5r h ALA 39 Ca -0.21 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x5r h ALA 39 Cb 1.08 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1x5r h ALA 39 CO 0.94 -0.50 0.00 0.25 0.00 0.00 0.00 179.25 179.94 1x5r n THR 40 N -5.27 0.00 -1.91 0.00 -2.24 -1.26 -1.73 114.28 101.86 1x5r n THR 40 Ca 0.22 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1x5r n THR 40 Cb 0.71 -1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.24 -3.35 -0.98 -0.78 1.02 -1.26 -4.42 120.64 109.62 1x5r n GLU 41 Ca 0.00 2.61 -0.35 0.00 -0.02 0.00 0.00 57.16 59.41 1x5r n GLU 41 Cb 0.00 -3.30 0.03 0.00 -0.02 0.00 0.00 31.44 28.16 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 1.18 0.00 -3.57 2.62 -1.04 -1.26 -4.24 114.28 107.97 1x5r n THR 42 Ca -0.03 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.05 61.11 1x5r n THR 42 Cb 0.05 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.45 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 7.29 4.25 0.37 -4.42 1.43 0.41 -4.84 118.68 123.19 1x5r s LEU 43 Ca 0.40 -0.26 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 1x5r s LEU 43 Cb -0.21 -2.11 0.28 0.00 0.03 0.00 0.00 46.19 44.18 1x5r s LEU 43 CO 0.77 -0.15 1.56 0.28 0.23 0.00 0.00 176.35 179.04 1x5r h SER 44 N 8.42 0.00 -4.44 2.29 0.02 -1.87 -3.37 113.55 114.59 1x5r h SER 44 Ca -0.33 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.35 1x5r h SER 44 Cb 1.17 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.55 1x5r h SER 44 CO 0.60 0.24 -0.71 -0.94 -1.14 0.00 0.00 176.83 174.87 1x5r s SER 45 N -6.31 1.32 0.23 3.07 1.04 -1.26 -4.99 113.70 106.80 1x5r s SER 45 Ca 0.05 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 1x5r s SER 45 Cb 0.07 0.05 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 1x5r s SER 45 CO 0.70 -0.36 1.10 -2.16 0.98 0.00 0.00 173.24 173.50 1x5r s PRO 46 N -3.29 4.62 0.27 4.02 0.04 -1.26 -4.74 135.00 134.67 1x5r s PRO 46 Ca 0.09 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1x5r s PRO 46 Cb 0.01 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 1x5r s PRO 46 CO -0.02 0.15 1.08 -1.25 0.04 0.00 0.00 177.00 177.01 1x5r s PRO 47 N -0.92 4.67 0.50 0.56 0.04 -1.26 -4.69 135.00 133.90 1x5r s PRO 47 Ca 0.47 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1x5r s PRO 47 Cb -0.31 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1x5r s PRO 47 CO 0.38 0.25 0.74 -0.51 0.04 0.00 0.00 177.00 177.90 1x5r s LEU 48 N -1.39 3.49 -0.77 -3.56 1.43 0.19 -1.76 118.68 116.31 1x5r s LEU 48 Ca 0.44 0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.62 1x5r s LEU 48 Cb -0.31 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1x5r s LEU 48 CO 0.40 -0.86 1.63 -0.69 0.23 0.00 0.00 176.35 177.07 1x5r s VAL 49 N -2.69 3.57 0.09 -1.59 1.01 -0.64 0.18 120.40 120.34 1x5r s VAL 49 Ca 0.51 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1x5r s VAL 49 Cb -0.10 -4.43 -0.14 0.00 0.00 0.00 0.00 36.38 31.71 1x5r s VAL 49 CO 0.40 -1.37 1.62 0.00 0.00 0.00 0.00 175.10 175.75 1x5r s PHE 51 N -6.03 0.56 0.01 0.00 5.36 -1.14 -4.89 117.98 111.85 1x5r s PHE 51 Ca -0.17 -0.89 0.01 0.00 -0.96 0.00 0.00 56.93 54.93 1x5r s PHE 51 Cb 0.06 -0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.68 1x5r s PHE 51 CO 0.63 -0.84 -0.04 0.42 -1.46 0.00 0.00 175.22 173.93 1x5r s ILE 52 N -4.04 0.32 0.28 3.12 1.01 -1.26 0.15 121.20 120.78 1x5r s ILE 52 Ca 0.25 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1x5r s ILE 52 Cb 0.02 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 42.07 1x5r s ILE 52 CO 0.08 -0.08 1.04 -1.61 0.00 0.00 0.00 174.94 174.37 1x5r s GLU 53 N -0.54 4.68 -0.05 2.79 2.02 -1.11 -4.98 118.70 121.50 1x5r s GLU 53 Ca -0.03 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.34 1x5r s GLU 53 Cb -0.04 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 1x5r s GLU 53 CO -0.00 0.29 1.22 -1.25 0.02 0.00 0.00 175.26 175.53 1x5r s PRO 54 N -1.45 4.35 -1.16 0.39 0.04 -1.26 -2.48 135.00 133.42 1x5r s PRO 54 Ca 0.44 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1x5r s PRO 54 Cb -0.29 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1x5r s PRO 54 CO 0.37 -0.46 0.00 -0.25 0.04 0.00 0.00 177.00 176.70 1x5r n ASP 55 N 5.20 -4.31 -4.25 6.66 8.00 -1.26 -5.00 116.55 121.60 1x5r n ASP 55 Ca 0.11 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.59 1x5r n ASP 55 Cb 0.46 -2.77 0.17 0.00 -0.02 0.00 0.00 41.12 38.95 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 -2.89 3.36 0.04 -2.24 1.04 -1.04 -4.87 113.70 107.11 1x5r s SER 56 Ca 0.00 0.19 -0.18 0.00 0.48 0.00 0.00 55.95 56.44 1x5r s SER 56 Cb 0.00 -0.30 -0.21 0.00 0.10 0.00 0.00 66.02 65.61 1x5r s SER 56 CO 0.00 -2.56 1.17 1.55 0.98 0.00 0.00 173.24 174.38 1x5r h PRO 57 N -1.44 0.53 -0.46 4.02 0.13 -1.86 0.10 132.00 133.02 1x5r h PRO 57 Ca -0.43 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1x5r h PRO 57 Cb 1.24 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 1x5r h PRO 57 CO 0.39 1.14 0.30 0.00 -0.23 0.00 0.00 178.00 179.60 1x5r h ALA 58 N 0.40 1.66 0.12 -0.56 0.00 -1.83 -2.10 119.26 116.94 1x5r h ALA 58 Ca -0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1x5r h ALA 58 Cb 1.34 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.97 1x5r h ALA 58 CO 0.13 0.31 -1.04 1.49 0.00 0.00 0.00 179.25 180.15 1x5r h GLU 59 N 0.63 0.50 -0.98 0.00 4.57 -1.75 -3.25 114.58 114.29 1x5r h GLU 59 Ca 0.17 -0.69 0.23 0.00 -1.18 0.00 0.00 59.36 57.89 1x5r h GLU 59 Cb -0.06 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 1x5r h GLU 59 CO -0.03 1.30 0.64 0.00 -1.18 0.00 0.00 179.01 179.73 1x5r h ARG 60 N 0.03 0.42 0.00 1.92 3.08 -0.33 1.52 114.38 121.03 1x5r h ARG 60 Ca -0.16 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1x5r h ARG 60 Cb 1.76 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 1x5r h ARG 60 CO 0.20 0.28 -0.14 0.00 -1.07 0.00 0.00 179.97 179.24 1x5r n GLY 62 N -1.01 1.25 0.34 0.00 0.00 0.52 -4.56 105.19 101.73 1x5r n GLY 62 Ca -0.02 -0.01 0.27 0.00 0.00 0.00 0.00 46.02 46.26 1x5r n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x5r h LEU 63 N 0.00 0.44 -9.59 0.99 3.38 -1.84 -3.37 115.31 105.32 1x5r h LEU 63 Ca 0.00 0.20 -0.53 0.00 0.09 0.00 0.00 57.88 57.65 1x5r h LEU 63 Cb 0.00 0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1x5r h LEU 63 CO 0.00 -0.22 0.61 -0.22 0.09 0.00 0.00 178.44 178.69 1x5r s LEU 64 N -10.36 4.40 0.01 1.67 0.20 -1.26 -5.00 118.68 108.34 1x5r s LEU 64 Ca -0.09 2.21 -0.28 0.00 0.69 0.00 0.00 54.13 56.66 1x5r s LEU 64 Cb 0.31 -3.59 0.08 0.00 -0.43 0.00 0.00 46.19 42.56 1x5r s LEU 64 CO 0.79 -0.48 0.73 0.00 -0.29 0.00 0.00 176.35 177.09 1x5r s GLN 65 N 0.46 1.03 0.24 1.98 -2.07 -1.26 -4.77 119.66 115.27 1x5r s GLN 65 Ca 0.58 -0.08 -0.31 0.00 -1.82 0.00 0.00 55.36 53.73 1x5r s GLN 65 Cb -0.33 0.48 -0.14 0.00 -1.09 0.00 0.00 33.01 31.93 1x5r s GLN 65 CO 0.33 -0.39 1.25 0.28 -1.32 0.00 0.00 175.29 175.45 1x5r n VAL 66 N 0.29 1.22 0.00 3.63 0.31 -1.26 -1.27 118.33 121.25 1x5r n VAL 66 Ca -0.16 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1x5r n VAL 66 Cb 0.60 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 1.81 2.94 3.49 2.92 0.00 -1.13 -4.90 105.19 110.33 1x5r n GLY 67 Ca 0.12 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 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 0.47 -0.04 -4.79 1.61 8.00 -0.40 -4.42 116.55 116.99 1x5r n ASP 68 Ca 0.00 1.12 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 1x5r n ASP 68 Cb 0.00 -1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 39.90 1x5r n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x5r s ARG 69 N -1.34 3.97 -0.47 -1.24 3.00 -1.26 -1.62 118.95 119.99 1x5r s ARG 69 Ca 0.61 0.04 -0.12 0.00 0.00 0.00 0.00 55.73 56.26 1x5r s ARG 69 Cb -0.78 -3.33 0.10 0.00 0.00 0.00 0.00 34.95 30.95 1x5r s ARG 69 CO 0.58 0.47 0.37 0.08 0.00 0.00 0.00 175.30 176.80 1x5r s VAL 70 N -0.21 4.68 -0.04 3.52 1.01 -0.72 -3.45 120.40 125.20 1x5r s VAL 70 Ca 0.16 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 1x5r s VAL 70 Cb -0.13 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1x5r s VAL 70 CO 0.05 -0.67 0.63 -0.07 0.00 0.00 0.00 175.10 175.03 1x5r h LEU 71 N 8.61 -0.46 -8.73 3.92 3.38 -1.49 -3.34 115.31 117.19 1x5r h LEU 71 Ca -0.25 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.41 1x5r h LEU 71 Cb 1.09 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 1x5r h LEU 71 CO 0.87 -0.03 -0.66 -0.94 0.09 0.00 0.00 178.44 177.77 1x5r s SER 72 N -4.92 1.45 -0.17 -0.43 1.04 -1.25 -0.75 113.70 108.67 1x5r s SER 72 Ca -0.08 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 1x5r s SER 72 Cb 0.01 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1x5r s SER 72 CO 0.24 -0.54 0.03 -0.63 0.98 0.00 0.00 173.24 173.32 1x5r s ILE 73 N -3.56 0.46 0.00 -1.02 1.01 0.38 -2.67 121.20 115.81 1x5r s ILE 73 Ca 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1x5r s ILE 73 Cb 0.06 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1x5r s ILE 73 CO 0.05 -0.11 0.00 -3.20 0.00 0.00 0.00 174.94 171.69 1x5r n ASN 74 N 5.08 -3.43 0.00 3.58 2.85 0.49 -2.01 115.26 121.82 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 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.18 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 -1.83 0.94 3.41 8.20 0.00 -1.26 -4.88 105.19 109.77 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 4.06 -0.10 -0.61 -1.09 -0.85 -5.04 121.20 115.57 1x5r s ILE 76 Ca 0.00 -0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 1x5r s ILE 76 Cb 0.00 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1x5r s ILE 76 CO 0.00 0.36 1.38 0.00 -1.23 0.00 0.00 174.94 175.45 1x5r s ALA 77 N 1.55 3.62 0.43 9.38 0.00 -1.26 0.14 121.76 135.63 1x5r s ALA 77 Ca 0.06 0.66 0.11 0.00 0.00 0.00 0.00 51.96 52.79 1x5r s ALA 77 Cb -0.15 -3.64 0.95 0.00 0.00 0.00 0.00 23.12 20.28 1x5r s ALA 77 CO 0.02 -1.15 2.03 1.79 0.00 0.00 0.00 175.76 178.45 1x5r h THR 78 N 5.37 1.10 0.00 0.00 1.35 -1.21 0.39 112.91 119.91 1x5r h THR 78 Ca -0.32 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1x5r h THR 78 Cb 1.14 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1x5r h THR 78 CO 0.95 0.13 0.00 -0.33 -0.25 0.00 0.00 175.52 176.01 1x5r h GLU 79 N 0.27 0.00 -0.88 4.72 5.08 -1.73 -1.05 114.58 120.99 1x5r h GLU 79 Ca 0.07 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.93 1x5r h GLU 79 Cb 0.12 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.10 1x5r h GLU 79 CO -0.00 0.00 0.52 -3.47 -1.00 0.00 0.00 179.01 175.06 1x5r n ASP 80 N -2.37 4.35 -1.99 1.42 2.03 0.13 -4.34 116.55 115.78 1x5r n ASP 80 Ca 0.00 -3.68 -0.01 0.00 0.52 0.00 0.00 54.79 51.62 1x5r n ASP 80 Cb 0.14 -0.82 0.01 0.00 -0.72 0.00 0.00 41.12 39.74 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 -1.09 0.97 3.90 0.27 0.00 -0.40 -4.95 105.19 103.90 1x5r n GLY 81 Ca 0.55 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.34 4.99 0.16 2.61 -4.23 -1.26 0.16 115.64 115.73 1x5r s THR 82 Ca 0.10 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.42 1x5r s THR 82 Cb -0.01 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1x5r s THR 82 CO 0.02 -0.18 1.38 0.80 -0.54 0.00 0.00 174.62 176.11 1x5r n MET 83 N -0.76 -0.35 -0.05 3.99 1.56 -0.71 -0.43 117.12 120.38 1x5r n MET 83 Ca -0.08 1.36 -0.15 0.00 -0.27 0.00 0.00 57.70 58.57 1x5r n MET 83 Cb 0.55 -2.01 -0.10 0.00 2.15 0.00 0.00 33.22 33.82 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 -0.51 -0.96 2.12 4.81 -1.70 0.39 114.58 118.73 1x5r h GLU 84 Ca 0.18 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.72 1x5r h GLU 84 Cb 0.41 0.12 -0.18 0.00 0.63 0.00 0.00 28.75 29.72 1x5r h GLU 84 CO -0.85 -0.34 0.03 0.39 -0.73 0.00 0.00 179.01 177.51 1x5r n GLU 85 N -5.42 -0.08 0.08 1.92 -0.58 0.43 0.14 120.64 117.14 1x5r n GLU 85 Ca -0.05 1.44 -0.12 0.00 -0.42 0.00 0.00 57.16 58.01 1x5r n GLU 85 Cb 0.37 -2.29 -0.06 0.00 -0.57 0.00 0.00 31.44 28.89 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 1.92 -0.18 -0.69 0.62 0.00 -0.07 0.83 119.26 121.70 1x5r h ALA 86 Ca 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1x5r h ALA 86 Cb 1.22 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1x5r h ALA 86 CO -0.90 -0.62 0.40 -0.91 0.00 0.00 0.00 179.25 177.21 1x5r h ASN 87 N -0.22 0.85 -0.87 0.00 2.35 0.20 -2.01 115.58 115.88 1x5r h ASN 87 Ca 0.02 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1x5r h ASN 87 Cb 0.24 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1x5r h ASN 87 CO -0.07 0.68 0.46 -0.61 -1.65 0.00 0.00 177.43 176.24 1x5r h GLN 88 N 0.94 1.23 -0.55 0.81 5.75 0.18 -1.32 115.11 122.15 1x5r h GLN 88 Ca 0.25 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1x5r h GLN 88 Cb 0.00 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 1x5r h GLN 88 CO -0.04 0.91 0.37 -0.07 -2.65 0.00 0.00 178.83 177.35 1x5r h LEU 89 N 1.23 0.49 -0.62 -2.39 3.38 0.14 0.65 115.31 118.19 1x5r h LEU 89 Ca 0.30 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1x5r h LEU 89 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1x5r h LEU 89 CO -0.05 0.33 -0.52 -0.07 0.09 0.00 0.00 178.44 178.22 1x5r h LEU 90 N 0.57 0.50 0.41 1.67 3.38 -0.70 -2.50 115.31 118.65 1x5r h LEU 90 Ca 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1x5r h LEU 90 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x5r h LEU 90 CO -0.06 0.93 -0.25 -0.09 0.09 0.00 0.00 178.44 179.06 1x5r h ARG 91 N 0.36 -0.59 -0.64 1.13 2.43 -0.11 0.23 114.38 117.18 1x5r h ARG 91 Ca 0.01 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1x5r h ARG 91 Cb 1.04 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.61 1x5r h ARG 91 CO 0.09 -0.40 -0.04 0.22 -1.51 0.00 0.00 179.97 178.34 1x5r h ASP 92 N -0.62 -0.37 -0.44 -3.80 3.58 -1.47 0.25 116.42 113.55 1x5r h ASP 92 Ca -0.06 0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.65 1x5r h ASP 92 Cb 0.49 0.31 -0.08 0.00 1.72 0.00 0.00 39.33 41.78 1x5r h ASP 92 CO 0.06 -0.15 -0.03 0.00 -2.88 0.00 0.00 179.24 176.24 1x5r h ALA 93 N 1.60 0.38 -0.70 -0.78 0.00 -1.25 0.77 119.26 119.28 1x5r h ALA 93 Ca 0.33 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.48 1x5r h ALA 93 Cb 0.54 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1x5r h ALA 93 CO -0.58 -0.41 0.32 0.00 0.00 0.00 0.00 179.25 178.58 1x5r h ALA 94 N 1.41 0.96 0.00 0.00 0.00 0.27 0.83 119.26 122.73 1x5r h ALA 94 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x5r h ALA 94 Cb 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x5r h ALA 94 CO -0.39 -0.10 -0.00 -0.07 0.00 0.00 0.00 179.25 178.69 1x5r h LEU 95 N 0.54 0.00 -0.02 0.00 3.38 0.79 0.54 115.31 120.54 1x5r h LEU 95 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1x5r h LEU 95 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x5r h LEU 95 CO -0.30 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 177.71 1x5r n ALA 96 N -2.09 3.61 -1.22 1.53 0.00 0.28 -4.91 120.51 117.70 1x5r n ALA 96 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 1x5r n ALA 96 Cb 0.11 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.70 0.00 8.25 0.19 -4.94 115.22 113.54 1x5r n HIS 97 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1x5r n HIS 97 Cb 0.34 -1.96 -0.09 0.00 1.12 0.00 0.00 29.99 29.40 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 -2.32 0.61 -0.05 -0.41 2.20 -1.08 -3.64 119.74 115.04 1x5r s LYS 98 Ca 0.00 0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.96 1x5r s LYS 98 Cb 0.00 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1x5r s LYS 98 CO 0.00 -0.10 0.36 0.54 -0.36 0.00 0.00 175.35 175.79 1x5r s VAL 99 N -0.08 0.04 -0.13 4.02 0.11 -0.73 -4.38 120.40 119.25 1x5r s VAL 99 Ca -0.03 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1x5r s VAL 99 Cb -0.03 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1x5r s VAL 99 CO 0.02 -0.18 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.71 1x5r s VAL 100 N -0.96 2.18 0.03 2.04 1.01 -1.26 -1.57 120.40 121.87 1x5r s VAL 100 Ca -0.10 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1x5r s VAL 100 Cb -0.04 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1x5r s VAL 100 CO 0.04 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 174.78 1x5r s LEU 101 N 0.65 2.76 -0.22 3.92 2.01 0.09 0.19 118.68 128.07 1x5r s LEU 101 Ca -0.11 -0.35 0.01 0.00 0.01 0.00 0.00 54.13 53.70 1x5r s LEU 101 Cb -0.16 -1.60 0.05 0.00 0.01 0.00 0.00 46.19 44.49 1x5r s LEU 101 CO 0.02 0.26 -0.09 -0.70 1.01 0.00 0.00 176.35 176.85 1x5r s GLU 102 N -1.43 1.98 -0.02 1.70 2.12 -1.09 -1.20 118.70 120.76 1x5r s GLU 102 Ca 0.15 -1.01 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 1x5r s GLU 102 Cb -0.11 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1x5r s GLU 102 CO 0.06 -0.51 0.12 0.08 -0.54 0.00 0.00 175.26 174.47 1x5r s VAL 103 N 1.32 5.01 -0.04 3.70 1.01 -0.90 -1.22 120.40 129.28 1x5r s VAL 103 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1x5r s VAL 103 Cb -0.18 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1x5r s VAL 103 CO -0.07 0.37 -0.03 -0.70 0.00 0.00 0.00 175.10 174.66 1x5r s GLU 104 N -1.74 2.77 -0.18 2.72 2.12 -1.22 -1.81 118.70 121.36 1x5r s GLU 104 Ca 0.24 -0.57 -0.35 0.00 0.36 0.00 0.00 54.97 54.64 1x5r s GLU 104 Cb -0.12 -2.64 0.15 0.00 0.26 0.00 0.00 34.13 31.78 1x5r s GLU 104 CO 0.15 0.65 1.39 -0.59 -0.54 0.00 0.00 175.26 176.32 1x5r s PHE 105 N -0.94 -0.01 -0.52 5.30 -0.12 -0.81 -4.63 117.98 116.24 1x5r s PHE 105 Ca 0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 56.93 56.88 1x5r s PHE 105 Cb -0.11 0.51 0.11 0.00 -0.63 0.00 0.00 43.02 42.89 1x5r s PHE 105 CO 0.05 -0.04 0.47 0.16 -0.05 0.00 0.00 175.22 175.81 1x5r s ASP 106 N -2.52 6.17 -0.48 1.98 -4.77 -1.26 0.80 116.67 116.60 1x5r s ASP 106 Ca 0.13 -1.59 -0.27 0.00 -3.30 0.00 0.00 52.55 47.52 1x5r s ASP 106 Cb 0.03 -2.20 -0.08 0.00 -1.09 0.00 0.00 42.92 39.58 1x5r s ASP 106 CO -0.04 -0.79 2.40 -0.24 0.70 0.00 0.00 175.17 177.20 1x5r n SER 107 N 5.29 2.32 0.00 2.11 2.88 -1.26 -4.69 113.62 120.27 1x5r n SER 107 Ca -0.13 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1x5r n SER 107 Cb 0.42 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 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 6.03 2.38 3.75 0.46 0.00 -1.26 -5.07 105.19 111.48 1x5r n GLY 108 Ca 0.38 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 3.64 4.64 -0.05 1.61 0.04 -1.26 -5.03 135.00 138.59 1x5r s PRO 109 Ca 0.00 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1x5r s PRO 109 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1x5r s PRO 109 CO 0.00 0.19 0.31 -1.54 0.04 0.00 0.00 177.00 176.01 1x5r s SER 110 N -0.68 6.65 0.10 6.66 1.04 -1.26 -5.09 113.70 121.12 1x5r s SER 110 Ca 0.46 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.70 1x5r s SER 110 Cb -0.31 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1x5r s SER 110 CO 0.39 0.34 -0.10 -0.55 0.98 0.00 0.00 173.24 174.29 1x5r s SER 111 N -0.96 1.50 0.00 7.02 0.15 -1.26 -5.32 113.70 114.83 1x5r s SER 111 Ca 0.20 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1x5r s SER 111 Cb -0.15 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1x5r s SER 111 CO 0.10 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.87