#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 -0.46 0.45 1.61 0.01 -1.26 -5.17 113.70 108.88 1x5r s SER 2 Ca 0.00 0.77 -0.03 0.00 1.31 0.00 0.00 55.95 58.00 1x5r s SER 2 Cb 0.00 1.09 -0.02 0.00 0.21 0.00 0.00 66.02 67.30 1x5r s SER 2 CO 0.00 -0.12 0.71 -0.44 0.41 0.00 0.00 173.24 173.80 1x5r s SER 3 N 1.06 6.12 -0.27 2.44 0.01 -1.26 -5.09 113.70 116.71 1x5r s SER 3 Ca -0.06 0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 1x5r s SER 3 Cb -0.04 -2.01 0.15 0.00 0.21 0.00 0.00 66.02 64.34 1x5r s SER 3 CO -0.13 -0.58 0.44 -0.83 0.41 0.00 0.00 173.24 172.55 1x5r s GLY 4 N -4.13 -0.60 -0.30 3.44 0.00 -1.26 -5.11 107.32 99.36 1x5r s GLY 4 Ca 0.46 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.97 1x5r s GLY 4 CO 0.41 2.93 1.15 -0.45 0.00 0.00 0.00 173.10 177.14 1x5r s SER 5 N 2.62 -0.26 0.11 1.64 0.15 -1.26 -5.18 113.70 111.52 1x5r s SER 5 Ca 0.13 0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.00 1x5r s SER 5 Cb -0.14 1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1x5r s SER 5 CO -0.20 -0.05 -0.06 -0.94 1.20 0.00 0.00 173.24 173.18 1x5r s SER 6 N 2.84 1.22 0.00 5.45 1.04 -1.26 -5.13 113.70 117.85 1x5r s SER 6 Ca -0.05 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1x5r s SER 6 Cb -0.08 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1x5r s SER 6 CO -0.10 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1x5r n GLY 7 N -0.07 3.21 0.00 7.32 0.00 -1.26 -5.18 105.19 109.20 1x5r n GLY 7 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.53 2.74 -0.02 0.00 -1.26 -4.99 105.19 102.19 1x5r n GLY 8 Ca 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 1x5r n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 9 N 0.00 -0.04 3.45 -0.02 0.00 -1.26 -5.15 105.19 102.17 1x5r n GLY 9 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 1.98 -1.11 -3.69 1.61 1.13 -1.26 -4.97 117.38 111.06 1x5r n GLN 10 Ca 0.12 -0.28 -0.37 0.00 -1.94 0.00 0.00 57.00 54.53 1x5r n GLN 10 Cb 0.61 -2.00 -0.07 0.00 0.11 0.00 0.00 30.24 28.89 1x5r n GLN 10 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1x5r s ILE 11 N -2.41 5.35 -0.03 5.09 1.01 -1.26 -5.08 121.20 123.87 1x5r s ILE 11 Ca 0.61 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.69 1x5r s ILE 11 Cb -0.20 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1x5r s ILE 11 CO 0.65 0.52 -0.05 0.54 0.00 0.00 0.00 174.94 176.60 1x5r s VAL 12 N -0.39 0.49 0.08 2.92 0.11 -1.26 -5.03 120.40 117.32 1x5r s VAL 12 Ca 0.16 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1x5r s VAL 12 Cb -0.13 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1x5r s VAL 12 CO 0.05 0.18 0.00 1.57 -3.33 0.00 0.00 175.10 173.57 1x5r n HIS 13 N 3.55 -0.38 -0.82 1.54 -0.00 -1.26 -5.09 115.22 112.76 1x5r n HIS 13 Ca -0.20 0.07 -0.06 0.00 0.46 0.00 0.00 57.72 57.99 1x5r n HIS 13 Cb 0.54 0.15 0.04 0.00 -0.12 0.00 0.00 29.99 30.60 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 -3.20 0.00 -4.40 3.57 -1.04 -1.26 -5.06 114.28 102.89 1x5r n THR 14 Ca 0.00 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 1x5r n THR 14 Cb 0.17 -1.37 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 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 -3.50 2.22 -0.23 -2.82 0.41 0.22 -5.00 118.70 110.00 1x5r s GLU 15 Ca 0.14 -2.25 -0.22 0.00 -0.41 0.00 0.00 54.97 52.23 1x5r s GLU 15 Cb -0.01 -1.77 0.06 0.00 -1.78 0.00 0.00 34.13 30.63 1x5r s GLU 15 CO 0.10 -0.48 0.63 0.95 -0.49 0.00 0.00 175.26 175.98 1x5r s THR 16 N -2.84 0.00 -0.05 3.63 -4.23 -1.26 -3.29 115.64 107.60 1x5r s THR 16 Ca 0.17 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1x5r s THR 16 Cb -0.00 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.96 1x5r s THR 16 CO 0.10 -0.00 -0.17 0.28 -0.54 0.00 0.00 174.62 174.29 1x5r s THR 17 N 0.25 1.43 -0.32 3.99 -1.32 -1.17 -4.95 115.64 113.55 1x5r s THR 17 Ca -0.01 -0.70 -0.20 0.00 -1.21 0.00 0.00 61.69 59.57 1x5r s THR 17 Cb -0.04 -1.24 -0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1x5r s THR 17 CO 0.01 0.41 0.63 -0.70 -2.21 0.00 0.00 174.62 172.77 1x5r s GLU 18 N 0.17 3.82 -0.43 7.08 2.12 -1.26 -2.30 118.70 127.91 1x5r s GLU 18 Ca -0.07 0.21 -0.12 0.00 0.36 0.00 0.00 54.97 55.35 1x5r s GLU 18 Cb -0.13 -3.76 0.06 0.00 0.26 0.00 0.00 34.13 30.57 1x5r s GLU 18 CO 0.03 -0.63 0.30 0.08 -0.54 0.00 0.00 175.26 174.50 1x5r s VAL 19 N 2.64 4.68 -0.38 3.70 1.01 -0.07 -4.91 120.40 127.07 1x5r s VAL 19 Ca 0.25 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1x5r s VAL 19 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1x5r s VAL 19 CO 0.13 -0.47 0.31 -0.69 0.00 0.00 0.00 175.10 174.38 1x5r s VAL 20 N 1.54 5.23 0.11 2.92 1.01 -1.26 -1.67 120.40 128.27 1x5r s VAL 20 Ca 0.03 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1x5r s VAL 20 Cb -0.22 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1x5r s VAL 20 CO 0.05 -0.19 -0.05 -0.76 0.00 0.00 0.00 175.10 174.15 1x5r s LEU 21 N 1.81 3.25 -0.19 3.92 1.43 -0.68 -4.97 118.68 123.25 1x5r s LEU 21 Ca 0.07 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1x5r s LEU 21 Cb -0.18 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1x5r s LEU 21 CO 0.11 0.16 -0.03 0.00 0.23 0.00 0.00 176.35 176.83 1x5r s GLY 23 N 1.65 1.00 0.63 0.00 0.00 -1.22 -4.78 107.32 104.61 1x5r s GLY 23 Ca -0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 1x5r s GLY 23 CO -0.07 -1.07 1.00 0.99 0.00 0.00 0.00 173.10 173.95 1x5r s ASP 24 N -3.08 5.83 0.21 1.64 1.11 -1.13 -4.12 116.67 117.12 1x5r s ASP 24 Ca 0.30 1.13 0.25 0.00 0.18 0.00 0.00 52.55 54.41 1x5r s ASP 24 Cb 0.04 -2.11 0.90 0.00 1.07 0.00 0.00 42.92 42.83 1x5r s ASP 24 CO 0.09 -1.05 1.74 -0.81 1.18 0.00 0.00 175.17 176.32 1x5r n PRO 25 N -2.76 0.20 -0.08 8.23 -0.04 -1.19 0.12 135.00 139.47 1x5r n PRO 25 Ca 0.05 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1x5r n PRO 25 Cb 0.56 -1.80 -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 -0.07 -0.04 0.00 0.00 175.50 175.39 1x5r h LEU 26 N 0.00 0.00 -0.24 1.53 3.38 -1.93 -3.37 115.31 114.69 1x5r h LEU 26 Ca 0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1x5r h LEU 26 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1x5r h LEU 26 CO 0.00 1.09 -0.46 0.77 0.09 0.00 0.00 178.44 179.93 1x5r h SER 27 N -1.00 0.00 0.00 -0.43 4.64 -1.96 -3.49 113.55 111.31 1x5r h SER 27 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x5r h SER 27 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1x5r h SER 27 CO -0.09 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1x5r n GLY 28 N 0.98 1.07 0.04 -0.77 0.00 0.32 -3.83 105.19 103.00 1x5r n GLY 28 Ca 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.30 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 9.57 0.00 -3.94 1.61 3.72 -1.26 -2.83 117.46 124.32 1x5r n PHE 29 Ca 0.00 -0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 56.90 1x5r n PHE 29 Cb 0.00 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.27 -0.23 3.16 1.37 0.00 -1.25 -2.35 105.19 105.62 1x5r n GLY 30 Ca 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.94 1.02 0.06 0.99 0.05 -1.26 -1.35 118.68 111.24 1x5r s LEU 31 Ca 0.00 0.40 0.09 0.00 0.05 0.00 0.00 54.13 54.68 1x5r s LEU 31 Cb -0.00 0.94 -0.03 0.00 -2.05 0.00 0.00 46.19 45.05 1x5r s LEU 31 CO 0.88 -0.17 -0.25 -1.10 -0.55 0.00 0.00 176.35 175.17 1x5r s GLN 32 N -0.21 1.77 -0.07 1.48 -1.52 -0.12 -4.98 119.66 116.01 1x5r s GLN 32 Ca -0.03 -1.14 -0.02 0.00 -1.95 0.00 0.00 55.36 52.22 1x5r s GLN 32 Cb -0.03 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1x5r s GLN 32 CO 0.01 0.50 0.04 -0.51 -0.25 0.00 0.00 175.29 175.08 1x5r s LEU 33 N -1.46 3.75 -0.17 2.90 1.43 -1.26 -0.99 118.68 122.88 1x5r s LEU 33 Ca 0.13 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1x5r s LEU 33 Cb -0.10 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1x5r s LEU 33 CO 0.04 0.36 -0.10 -1.58 0.23 0.00 0.00 176.35 175.29 1x5r s GLN 34 N -1.12 3.35 0.00 1.70 0.74 0.50 -4.49 119.66 120.34 1x5r s GLN 34 Ca 0.16 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1x5r s GLN 34 Cb -0.12 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.22 1x5r s GLN 34 CO 0.05 0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1x5r n GLY 35 N 4.10 2.71 3.37 2.59 0.00 -1.26 -1.04 105.19 115.67 1x5r n GLY 35 Ca -0.18 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.20 0.08 -0.02 0.00 -1.26 -4.93 105.19 96.86 1x5r n GLY 36 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.75 1.69 -4.31 -0.61 5.03 -2.01 -3.46 117.51 113.09 1x5r h ILE 37 Ca -0.44 -2.23 -0.50 0.00 -0.12 0.00 0.00 64.86 61.57 1x5r h ILE 37 Cb 1.33 3.19 0.11 0.00 -3.03 0.00 0.00 36.82 38.41 1x5r h ILE 37 CO 0.38 0.59 0.35 -0.36 -0.68 0.00 0.00 178.15 178.43 1x5r s PHE 38 N -2.53 2.94 -0.22 1.37 0.40 -1.26 -5.01 117.98 113.67 1x5r s PHE 38 Ca -0.18 1.24 -0.19 0.00 -0.60 0.00 0.00 56.93 57.20 1x5r s PHE 38 Cb -0.02 -3.04 -0.18 0.00 0.51 0.00 0.00 43.02 40.29 1x5r s PHE 38 CO 0.72 -1.57 0.13 0.00 0.70 0.00 0.00 175.22 175.19 1x5r n ALA 39 N -3.32 0.86 -2.30 5.36 0.00 -1.26 -4.68 120.51 115.18 1x5r n ALA 39 Ca 0.07 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 1x5r n ALA 39 Cb 0.55 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 1x5r n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x5r s THR 40 N -2.40 3.67 0.00 0.00 -4.23 -1.26 -3.91 115.64 107.51 1x5r s THR 40 Ca -0.30 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1x5r s THR 40 Cb 0.07 -4.51 0.00 0.00 1.34 0.00 0.00 72.50 69.40 1x5r s THR 40 CO 0.59 -1.43 0.00 -1.84 -0.54 0.00 0.00 174.62 171.40 1x5r n GLU 41 N 8.90 0.00 -1.45 3.99 0.28 -1.26 -5.08 120.64 126.02 1x5r n GLU 41 Ca 0.35 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.03 1x5r n GLU 41 Cb 0.49 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.43 1x5r n GLU 41 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x5r s THR 42 N -0.64 3.30 -0.39 3.84 2.01 -1.26 -3.20 115.64 119.30 1x5r s THR 42 Ca 0.00 0.49 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 1x5r s THR 42 Cb 0.00 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1x5r s THR 42 CO 0.00 -0.48 0.26 -0.76 -0.69 0.00 0.00 174.62 172.95 1x5r s LEU 43 N -5.51 4.88 0.33 4.42 1.43 -1.13 -4.83 118.68 118.28 1x5r s LEU 43 Ca 0.63 -0.83 0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1x5r s LEU 43 Cb -0.18 -2.12 0.39 0.00 0.03 0.00 0.00 46.19 44.31 1x5r s LEU 43 CO 0.50 -0.39 1.59 0.77 0.23 0.00 0.00 176.35 179.06 1x5r h SER 44 N 8.55 0.00 -4.41 2.29 4.64 -1.90 -3.37 113.55 119.35 1x5r h SER 44 Ca -0.28 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.75 1x5r h SER 44 Cb 1.12 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.07 1x5r h SER 44 CO 0.70 0.42 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.46 1x5r s SER 45 N -6.40 1.32 0.29 4.97 1.04 -1.26 -4.99 113.70 108.67 1x5r s SER 45 Ca 0.02 -1.14 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 1x5r s SER 45 Cb 0.09 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 1x5r s SER 45 CO 0.71 -0.53 1.08 -2.16 0.98 0.00 0.00 173.24 173.32 1x5r s PRO 46 N -3.88 4.59 0.67 4.02 0.04 -1.26 -4.73 135.00 134.46 1x5r s PRO 46 Ca 0.22 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 1x5r s PRO 46 Cb 0.06 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.49 1x5r s PRO 46 CO 0.03 0.19 1.06 -1.25 0.04 0.00 0.00 177.00 177.07 1x5r s PRO 47 N -1.57 3.03 0.31 0.56 0.04 -1.25 -4.64 135.00 131.46 1x5r s PRO 47 Ca 0.46 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1x5r s PRO 47 Cb -0.30 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1x5r s PRO 47 CO 0.38 -1.03 0.04 -0.51 0.04 0.00 0.00 177.00 175.93 1x5r s LEU 48 N -5.33 3.16 -1.09 -3.56 1.43 -0.21 -0.30 118.68 112.78 1x5r s LEU 48 Ca 0.59 -0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 1x5r s LEU 48 Cb -0.14 -1.63 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 1x5r s LEU 48 CO 0.51 -0.14 2.03 -0.69 0.23 0.00 0.00 176.35 178.30 1x5r s VAL 49 N -2.40 3.32 0.14 -1.59 1.01 0.35 0.19 120.40 121.41 1x5r s VAL 49 Ca 0.34 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 1x5r s VAL 49 Cb -0.04 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1x5r s VAL 49 CO 0.21 -0.60 1.52 0.00 0.00 0.00 0.00 175.10 176.23 1x5r s PHE 51 N -5.46 1.00 -0.01 0.00 5.36 -1.22 -4.88 117.98 112.77 1x5r s PHE 51 Ca -0.13 -1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 54.60 1x5r s PHE 51 Cb 0.09 -0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 1x5r s PHE 51 CO 0.59 -0.78 0.02 0.42 -1.46 0.00 0.00 175.22 174.01 1x5r s ILE 52 N -3.98 0.00 0.17 3.12 1.01 -1.26 -0.94 121.20 119.32 1x5r s ILE 52 Ca 0.34 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.76 1x5r s ILE 52 Cb 0.04 -0.05 -0.08 0.00 0.01 0.00 0.00 42.46 42.38 1x5r s ILE 52 CO 0.13 -0.02 0.70 -1.61 0.00 0.00 0.00 174.94 174.14 1x5r s GLU 53 N -0.03 4.31 0.33 2.79 2.02 -0.46 -4.98 118.70 122.67 1x5r s GLU 53 Ca -0.01 0.90 -0.27 0.00 0.02 0.00 0.00 54.97 55.61 1x5r s GLU 53 Cb -0.00 -3.06 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 1x5r s GLU 53 CO 0.00 0.50 1.07 -1.25 0.02 0.00 0.00 175.26 175.60 1x5r s PRO 54 N -1.57 4.44 -1.21 0.39 0.04 -1.26 -2.75 135.00 133.08 1x5r s PRO 54 Ca 0.38 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x5r s PRO 54 Cb -0.19 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1x5r s PRO 54 CO 0.22 0.07 0.00 -0.25 0.04 0.00 0.00 177.00 177.08 1x5r n ASP 55 N 0.64 -5.70 -4.60 6.66 8.00 -1.26 -4.94 116.55 115.35 1x5r n ASP 55 Ca 0.02 0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.56 1x5r n ASP 55 Cb 0.47 -4.20 0.12 0.00 -0.02 0.00 0.00 41.12 37.49 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 -2.43 4.14 0.13 -2.24 1.04 -1.11 -4.89 113.70 108.33 1x5r s SER 56 Ca 0.00 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 1x5r s SER 56 Cb 0.00 0.10 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 1x5r s SER 56 CO 0.00 -2.02 1.32 1.55 0.98 0.00 0.00 173.24 175.08 1x5r h PRO 57 N -0.67 0.50 0.00 4.02 0.13 -1.84 0.23 132.00 134.36 1x5r h PRO 57 Ca -0.36 -0.48 -0.03 0.00 -0.87 0.00 0.00 66.00 64.26 1x5r h PRO 57 Cb 1.26 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1x5r h PRO 57 CO 0.38 1.12 -0.14 0.00 -0.23 0.00 0.00 178.00 179.13 1x5r h ALA 58 N 0.72 1.36 0.09 -0.56 0.00 -1.61 -2.59 119.26 116.66 1x5r h ALA 58 Ca -0.07 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.35 1x5r h ALA 58 Cb 1.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1x5r h ALA 58 CO 0.16 0.18 -2.04 -1.91 0.00 0.00 0.00 179.25 175.64 1x5r n GLU 59 N -3.77 0.73 -0.23 0.00 4.07 -1.14 -4.08 120.64 116.21 1x5r n GLU 59 Ca -0.02 0.24 0.22 0.00 -0.06 0.00 0.00 57.16 57.54 1x5r n GLU 59 Cb 0.25 -1.69 0.57 0.00 -0.06 0.00 0.00 31.44 30.50 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 0.05 0.29 0.00 5.31 3.08 -0.21 1.42 114.38 124.32 1x5r h ARG 60 Ca -0.43 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1x5r h ARG 60 Cb 2.02 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 1x5r h ARG 60 CO 0.06 0.19 -0.13 0.00 -1.07 0.00 0.00 179.97 179.02 1x5r n GLY 62 N -0.95 0.74 0.31 0.00 0.00 0.48 -4.33 105.19 101.45 1x5r n GLY 62 Ca -0.02 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.35 -9.61 0.99 8.10 -1.87 -3.39 115.31 109.88 1x5r h LEU 63 Ca 0.00 0.14 -0.52 0.00 0.11 0.00 0.00 57.88 57.60 1x5r h LEU 63 Cb 0.00 0.10 0.04 0.00 -0.44 0.00 0.00 40.66 40.37 1x5r h LEU 63 CO 0.00 0.06 0.86 -0.22 -4.11 0.00 0.00 178.44 175.03 1x5r s LEU 64 N -10.46 4.37 0.07 0.17 2.96 -1.26 -4.98 118.68 109.55 1x5r s LEU 64 Ca -0.12 2.59 -0.26 0.00 -0.22 0.00 0.00 54.13 56.12 1x5r s LEU 64 Cb 0.24 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.41 1x5r s LEU 64 CO 0.78 -0.80 0.64 0.00 -1.32 0.00 0.00 176.35 175.65 1x5r s GLN 65 N 1.07 1.18 0.07 1.98 -2.07 -1.26 -4.80 119.66 115.83 1x5r s GLN 65 Ca 0.69 -0.19 -0.37 0.00 -1.82 0.00 0.00 55.36 53.68 1x5r s GLN 65 Cb -0.43 0.55 -0.18 0.00 -1.09 0.00 0.00 33.01 31.85 1x5r s GLN 65 CO 0.32 -0.46 1.06 0.28 -1.32 0.00 0.00 175.29 175.16 1x5r n VAL 66 N 0.11 0.43 0.00 3.63 0.31 -1.26 -1.29 118.33 120.26 1x5r n VAL 66 Ca -0.17 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1x5r n VAL 66 Cb 0.62 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 1.84 3.09 3.59 2.92 0.00 -1.23 -4.92 105.19 110.48 1x5r n GLY 67 Ca 0.19 -1.03 -0.54 0.00 0.00 0.00 0.00 46.02 44.63 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 0.42 1.41 -4.91 1.61 9.92 -0.41 -4.42 116.55 120.17 1x5r n ASP 68 Ca 0.00 1.12 -0.27 0.00 -0.53 0.00 0.00 54.79 55.11 1x5r n ASP 68 Cb 0.00 -1.13 0.08 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 0.71 2.08 -0.37 -1.24 3.00 -1.26 -0.50 118.95 121.38 1x5r s ARG 69 Ca 0.87 -0.11 0.01 0.00 0.00 0.00 0.00 55.73 56.50 1x5r s ARG 69 Cb -1.03 -2.08 0.14 0.00 0.00 0.00 0.00 34.95 31.99 1x5r s ARG 69 CO 0.51 -1.40 0.23 0.08 0.00 0.00 0.00 175.30 174.72 1x5r s VAL 70 N -3.39 0.31 0.04 3.52 1.01 0.59 -4.09 120.40 118.40 1x5r s VAL 70 Ca 0.61 -1.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 1x5r s VAL 70 Cb -0.11 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 1x5r s VAL 70 CO 0.47 -1.01 1.32 -0.07 0.00 0.00 0.00 175.10 175.80 1x5r h LEU 71 N 6.79 -0.76 -8.83 3.92 3.38 0.13 -3.34 115.31 116.60 1x5r h LEU 71 Ca 0.08 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.75 1x5r h LEU 71 Cb 0.96 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 1x5r h LEU 71 CO 0.30 -0.40 -0.66 -0.94 0.09 0.00 0.00 178.44 176.84 1x5r s SER 72 N -3.37 1.63 -0.23 -0.43 1.04 -1.23 -0.79 113.70 110.32 1x5r s SER 72 Ca -0.10 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.13 1x5r s SER 72 Cb 0.02 0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.24 1x5r s SER 72 CO 0.34 -0.54 -0.08 -0.63 0.98 0.00 0.00 173.24 173.32 1x5r s ILE 73 N -3.50 1.70 0.00 -1.02 1.01 0.41 -2.11 121.20 117.69 1x5r s ILE 73 Ca 0.28 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1x5r s ILE 73 Cb 0.06 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1x5r s ILE 73 CO 0.08 -0.03 0.00 -3.20 0.00 0.00 0.00 174.94 171.78 1x5r n ASN 74 N 4.62 -2.61 0.00 3.58 2.85 0.42 -1.72 115.26 122.41 1x5r n ASN 74 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1x5r n ASN 74 Cb 0.44 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.04 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 -1.64 1.04 3.44 8.20 0.00 -1.26 -4.94 105.19 110.03 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 4.24 0.26 -0.61 -1.09 -0.70 -5.01 121.20 116.29 1x5r s ILE 76 Ca 0.00 -0.20 -0.31 0.00 -2.23 0.00 0.00 60.65 57.91 1x5r s ILE 76 Cb 0.00 -2.97 -0.12 0.00 -1.58 0.00 0.00 42.46 37.78 1x5r s ILE 76 CO 0.00 0.35 1.58 0.00 -1.23 0.00 0.00 174.94 175.64 1x5r n ALA 77 N 4.84 2.24 0.68 9.38 0.00 -1.26 0.15 120.51 136.55 1x5r n ALA 77 Ca -0.16 0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1x5r n ALA 77 Cb 0.51 -2.43 0.47 0.00 0.00 0.00 0.00 19.45 18.00 1x5r n ALA 77 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5r n THR 78 N 2.46 0.50 0.60 0.00 -2.24 0.03 -2.63 114.28 113.00 1x5r n THR 78 Ca 0.11 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1x5r n THR 78 Cb 0.35 -0.66 0.27 0.00 -2.10 0.00 0.00 70.33 68.19 1x5r n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5r n GLU 79 N -2.03 0.28 -0.69 -0.78 1.02 -1.26 -3.25 120.64 113.93 1x5r n GLU 79 Ca 0.05 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 1x5r n GLU 79 Cb 0.37 -1.74 0.31 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.17 4.65 -3.50 1.62 -0.08 -1.08 -4.05 116.55 111.94 1x5r n ASP 80 Ca 0.04 -2.71 -0.14 0.00 -1.51 0.00 0.00 54.79 50.46 1x5r n ASP 80 Cb 0.43 -0.64 -0.04 0.00 2.34 0.00 0.00 41.12 43.21 1x5r n ASP 80 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1x5r s GLY 81 N -0.60 -0.55 0.90 0.27 0.00 -1.20 -5.02 107.32 101.12 1x5r s GLY 81 Ca 0.42 0.77 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 1x5r s GLY 81 CO 0.12 0.44 1.10 -0.51 0.00 0.00 0.00 173.10 174.25 1x5r s THR 82 N -2.60 2.50 0.64 0.90 -4.23 -1.26 -2.82 115.64 108.78 1x5r s THR 82 Ca -0.04 0.16 0.24 0.00 -1.18 0.00 0.00 61.69 60.87 1x5r s THR 82 Cb -0.01 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.36 1x5r s THR 82 CO -0.03 -0.21 1.68 -0.03 -0.54 0.00 0.00 174.62 175.49 1x5r h MET 83 N -1.52 0.00 0.00 3.99 4.05 -1.66 1.51 114.93 121.30 1x5r h MET 83 Ca -0.50 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 58.68 1x5r h MET 83 Cb 1.30 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.06 1x5r h MET 83 CO 0.58 0.00 -1.35 0.93 0.23 0.00 0.00 176.91 177.30 1x5r h GLU 84 N 0.00 0.00 -0.19 0.39 4.39 -1.88 -3.21 114.58 114.08 1x5r h GLU 84 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1x5r h GLU 84 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1x5r h GLU 84 CO -0.00 0.66 0.08 0.93 -1.16 0.00 0.00 179.01 179.52 1x5r h GLU 85 N 0.00 0.28 -0.03 2.33 4.39 0.18 1.54 114.58 123.27 1x5r h GLU 85 Ca -0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1x5r h GLU 85 Cb 1.84 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1x5r h GLU 85 CO 0.09 0.33 0.02 0.00 -1.16 0.00 0.00 179.01 178.30 1x5r h ALA 86 N 0.94 0.04 0.23 3.43 0.00 -1.59 -0.19 119.26 122.12 1x5r h ALA 86 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x5r h ALA 86 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x5r h ALA 86 CO -0.01 -0.46 -0.11 -0.91 0.00 0.00 0.00 179.25 177.77 1x5r h ASN 87 N 0.03 -0.26 -1.13 0.00 2.35 -1.52 -2.41 115.58 112.64 1x5r h ASN 87 Ca 0.01 -0.14 0.32 0.00 -0.55 0.00 0.00 56.30 55.94 1x5r h ASN 87 Cb 0.01 0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 1x5r h ASN 87 CO -0.00 -0.01 0.77 -0.61 -1.65 0.00 0.00 177.43 175.92 1x5r h GLN 88 N -0.51 0.20 0.06 0.81 5.75 0.24 0.39 115.11 122.04 1x5r h GLN 88 Ca -0.03 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1x5r h GLN 88 Cb 0.38 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1x5r h GLN 88 CO 0.05 0.13 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.27 1x5r h LEU 89 N 0.21 -0.06 -1.34 -2.39 3.38 -0.55 -2.61 115.31 111.95 1x5r h LEU 89 Ca 0.61 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1x5r h LEU 89 Cb 1.93 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.64 1x5r h LEU 89 CO -0.19 0.23 0.55 -0.07 0.09 0.00 0.00 178.44 179.04 1x5r h LEU 90 N -0.36 0.64 0.00 1.67 -0.00 0.09 0.71 115.31 118.07 1x5r h LEU 90 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1x5r h LEU 90 Cb 0.32 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1x5r h LEU 90 CO 0.01 0.35 0.00 -1.14 -0.00 0.00 0.00 178.44 177.66 1x5r n ARG 91 N -4.53 0.00 -0.24 1.13 0.63 -0.27 0.04 116.66 113.42 1x5r n ARG 91 Ca 0.15 0.58 0.04 0.00 -0.92 0.00 0.00 57.85 57.71 1x5r n ARG 91 Cb 0.41 -1.48 0.16 0.00 0.45 0.00 0.00 32.46 32.00 1x5r n ARG 91 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1x5r h ASP 92 N 0.00 -0.07 -0.49 6.15 3.58 -1.22 1.18 116.42 125.56 1x5r h ASP 92 Ca 0.00 0.15 0.14 0.00 0.42 0.00 0.00 57.03 57.74 1x5r h ASP 92 Cb 0.00 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1x5r h ASP 92 CO 0.00 -0.06 0.35 0.00 -2.88 0.00 0.00 179.24 176.65 1x5r h ALA 93 N 1.60 2.45 -0.17 -0.78 0.00 -0.66 0.55 119.26 122.25 1x5r h ALA 93 Ca 0.39 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1x5r h ALA 93 Cb 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x5r h ALA 93 CO -0.52 -0.59 -0.36 0.00 0.00 0.00 0.00 179.25 177.79 1x5r h ALA 94 N 1.76 1.08 0.00 0.00 0.00 0.53 -1.41 119.26 121.22 1x5r h ALA 94 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x5r h ALA 94 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1x5r h ALA 94 CO -0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1x5r n LEU 95 N -4.06 0.71 0.04 0.00 4.77 0.19 -1.37 117.00 117.27 1x5r n LEU 95 Ca -0.01 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1x5r n LEU 95 Cb 0.46 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1x5r n LEU 95 CO 0.42 -0.55 0.09 0.00 -1.33 0.00 0.00 177.39 176.02 1x5r n ALA 96 N -1.79 3.22 -0.99 -1.18 0.00 -0.57 -4.93 120.51 114.28 1x5r n ALA 96 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1x5r n ALA 96 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.04 0.00 -3.70 0.00 8.25 -0.47 -4.96 115.22 112.30 1x5r n HIS 97 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 1x5r n HIS 97 Cb 0.44 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.60 0.65 -0.04 -0.41 2.20 -1.12 -3.37 119.74 117.04 1x5r s LYS 98 Ca 0.00 0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 1x5r s LYS 98 Cb 0.00 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1x5r s LYS 98 CO 0.00 -0.14 0.36 0.54 -0.36 0.00 0.00 175.35 175.75 1x5r s VAL 99 N -0.41 0.04 0.00 4.02 0.11 -0.76 -4.52 120.40 118.88 1x5r s VAL 99 Ca -0.06 -0.34 0.08 0.00 -2.93 0.00 0.00 61.98 58.73 1x5r s VAL 99 Cb -0.03 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1x5r s VAL 99 CO 0.03 -0.19 -0.24 -0.69 -3.33 0.00 0.00 175.10 170.68 1x5r s VAL 100 N -1.04 1.94 0.07 2.04 1.01 -1.26 -1.69 120.40 121.47 1x5r s VAL 100 Ca -0.11 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1x5r s VAL 100 Cb -0.04 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1x5r s VAL 100 CO 0.04 0.46 -0.11 -0.76 0.00 0.00 0.00 175.10 174.74 1x5r s LEU 101 N -0.79 2.31 -0.22 3.92 1.43 -0.67 0.16 118.68 124.81 1x5r s LEU 101 Ca 0.10 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1x5r s LEU 101 Cb -0.09 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.86 1x5r s LEU 101 CO 0.00 -0.18 -0.07 -0.70 0.23 0.00 0.00 176.35 175.62 1x5r s GLU 102 N -2.04 1.80 0.37 1.70 2.12 -0.90 -0.89 118.70 120.87 1x5r s GLU 102 Ca -0.02 -0.96 -0.00 0.00 0.36 0.00 0.00 54.97 54.34 1x5r s GLU 102 Cb -0.08 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1x5r s GLU 102 CO 0.01 -0.54 0.59 0.08 -0.54 0.00 0.00 175.26 174.87 1x5r s VAL 103 N 1.37 5.01 -0.07 3.70 1.01 -0.97 0.17 120.40 130.62 1x5r s VAL 103 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x5r s VAL 103 Cb -0.18 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1x5r s VAL 103 CO -0.07 -0.59 -0.20 -0.70 0.00 0.00 0.00 175.10 173.53 1x5r s GLU 104 N -4.40 2.36 -0.03 2.72 2.12 -1.26 -3.03 118.70 117.17 1x5r s GLU 104 Ca 0.42 -0.74 -0.31 0.00 0.36 0.00 0.00 54.97 54.70 1x5r s GLU 104 Cb -0.10 -1.91 0.13 0.00 0.26 0.00 0.00 34.13 32.50 1x5r s GLU 104 CO 0.38 0.22 1.32 -0.59 -0.54 0.00 0.00 175.26 176.05 1x5r s PHE 105 N 0.19 -0.03 -0.33 5.30 -0.12 -1.21 -4.63 117.98 117.15 1x5r s PHE 105 Ca -0.10 -0.05 -0.08 0.00 -0.05 0.00 0.00 56.93 56.64 1x5r s PHE 105 Cb -0.15 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1x5r s PHE 105 CO 0.05 -0.22 0.13 -0.51 -0.05 0.00 0.00 175.22 174.62 1x5r s ASP 106 N -3.03 5.40 -0.71 1.98 1.01 -1.26 -0.61 116.67 119.45 1x5r s ASP 106 Ca 0.15 -0.84 -0.26 0.00 0.71 0.00 0.00 52.55 52.31 1x5r s ASP 106 Cb 0.05 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1x5r s ASP 106 CO -0.04 -0.27 1.61 -0.55 0.21 0.00 0.00 175.17 176.12 1x5r s SER 107 N 1.51 5.70 0.68 0.27 0.15 -1.26 -4.86 113.70 115.89 1x5r s SER 107 Ca 0.02 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.50 1x5r s SER 107 Cb -0.18 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.68 1x5r s SER 107 CO 0.04 -2.13 0.95 -0.83 1.20 0.00 0.00 173.24 172.47 1x5r s GLY 108 N 6.13 1.77 -0.08 9.45 0.00 -1.23 -5.04 107.32 118.33 1x5r s GLY 108 Ca 0.53 -1.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.51 1x5r s GLY 108 CO 0.15 -1.02 0.90 -0.56 0.00 0.00 0.00 173.10 172.56 1x5r h PRO 109 N -0.42 -0.06 -3.82 2.90 0.13 -1.93 -3.46 132.00 125.34 1x5r h PRO 109 Ca -0.39 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 1x5r h PRO 109 Cb 1.28 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 1x5r h PRO 109 CO 0.46 0.57 -0.75 -1.12 -0.23 0.00 0.00 178.00 176.93 1x5r s SER 110 N -5.81 0.41 -0.33 1.44 0.01 -1.26 -4.96 113.70 103.21 1x5r s SER 110 Ca -0.15 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 56.95 1x5r s SER 110 Cb -0.01 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1x5r s SER 110 CO 0.58 -0.06 0.33 -1.20 0.41 0.00 0.00 173.24 173.30 1x5r n SER 111 N 3.82 -7.35 0.00 2.44 7.64 -1.26 -5.24 113.62 113.67 1x5r n SER 111 Ca -0.23 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1x5r n SER 111 Cb 0.53 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64