#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 -0.52 -0.18 1.61 0.15 -1.26 -5.16 113.70 108.34 1x5r s SER 2 Ca 0.00 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 1x5r s SER 2 Cb 0.00 1.38 0.06 0.00 -1.71 0.00 0.00 66.02 65.76 1x5r s SER 2 CO 0.00 -0.10 0.43 -0.94 1.20 0.00 0.00 173.24 173.84 1x5r s SER 3 N 2.95 -0.54 0.00 5.45 1.04 -1.26 -5.07 113.70 116.28 1x5r s SER 3 Ca 0.12 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1x5r s SER 3 Cb -0.07 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1x5r s SER 3 CO -0.17 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1x5r n GLY 4 N 4.34 -1.96 3.20 7.32 0.00 -1.26 -5.15 105.19 111.68 1x5r n GLY 4 Ca -0.22 0.73 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5r n SER 5 N -0.02 -3.82 0.20 1.61 3.41 -1.26 -4.93 113.62 108.81 1x5r n SER 5 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1x5r n SER 5 Cb 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1x5r n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5r n SER 6 N 1.05 -2.93 0.00 4.04 7.64 -1.26 -5.14 113.62 117.02 1x5r n SER 6 Ca 0.02 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1x5r n SER 6 Cb 0.57 2.80 0.00 0.00 -1.01 0.00 0.00 64.21 66.57 1x5r n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5r n GLY 7 N -0.55 1.35 0.00 0.23 0.00 -1.26 -5.10 105.19 99.86 1x5r n GLY 7 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.52 3.47 -0.02 0.00 -1.26 -5.07 105.19 102.84 1x5r n GLY 8 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 1x5r n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5r s GLY 9 N 0.00 -0.54 0.03 -0.02 0.00 -1.26 -5.16 107.32 100.37 1x5r s GLY 9 Ca 0.00 1.97 -0.01 0.00 0.00 0.00 0.00 44.72 46.68 1x5r s GLY 9 CO 0.00 2.57 0.18 1.62 0.00 0.00 0.00 173.10 177.48 1x5r s GLN 10 N 2.43 3.38 0.50 2.90 0.74 -1.26 -4.94 119.66 123.40 1x5r s GLN 10 Ca -0.06 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 54.95 1x5r s GLN 10 Cb -0.10 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1x5r s GLN 10 CO -0.16 0.64 0.00 -0.89 -0.55 0.00 0.00 175.29 174.33 1x5r n ILE 11 N 0.64 -4.52 -4.04 -2.34 -0.00 -1.26 -5.02 119.36 102.82 1x5r n ILE 11 Ca -0.08 2.04 -0.14 0.00 -0.00 0.00 0.00 62.75 64.57 1x5r n ILE 11 Cb 0.52 -2.89 -0.14 0.00 -0.00 0.00 0.00 39.64 37.13 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 -3.74 0.25 -0.42 1.39 0.11 -1.26 -5.12 120.40 111.61 1x5r s VAL 12 Ca 0.00 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 1x5r s VAL 12 Cb 0.00 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.66 1x5r s VAL 12 CO 0.00 0.07 0.38 -2.28 -3.33 0.00 0.00 175.10 169.93 1x5r s HIS 13 N -0.08 3.20 0.47 1.54 2.46 -1.26 -4.95 115.29 116.67 1x5r s HIS 13 Ca 0.01 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.02 1x5r s HIS 13 Cb -0.01 -2.79 0.00 0.00 -0.13 0.00 0.00 32.58 29.65 1x5r s HIS 13 CO -0.00 -0.66 0.00 2.41 -2.47 0.00 0.00 174.74 174.01 1x5r n THR 14 N 5.30 -0.32 -3.94 0.89 -1.04 -1.26 -4.89 114.28 109.02 1x5r n THR 14 Ca -0.09 0.58 -0.27 0.00 -2.04 0.00 0.00 64.05 62.23 1x5r n THR 14 Cb 0.47 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 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 -3.71 3.43 0.02 -2.82 8.01 -1.04 -5.02 118.70 117.56 1x5r s GLU 15 Ca 0.00 -0.58 -0.05 0.00 0.01 0.00 0.00 54.97 54.35 1x5r s GLU 15 Cb 0.00 -2.97 -0.01 0.00 -4.31 0.00 0.00 34.13 26.84 1x5r s GLU 15 CO 0.00 0.53 0.09 0.95 0.01 0.00 0.00 175.26 176.85 1x5r s THR 16 N -1.70 0.11 0.10 3.63 -4.23 -1.26 -2.56 115.64 109.72 1x5r s THR 16 Ca 0.34 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 1x5r s THR 16 Cb -0.11 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1x5r s THR 16 CO 0.28 -0.49 -0.19 0.28 -0.54 0.00 0.00 174.62 173.96 1x5r s THR 17 N -1.89 1.55 -0.24 3.99 -1.32 -0.90 -4.96 115.64 111.86 1x5r s THR 17 Ca -0.11 -1.50 -0.03 0.00 -1.21 0.00 0.00 61.69 58.83 1x5r s THR 17 Cb -0.05 -1.44 0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1x5r s THR 17 CO -0.01 -0.12 -0.04 -0.70 -2.21 0.00 0.00 174.62 171.54 1x5r s GLU 18 N -1.92 3.14 -0.18 7.08 2.12 -1.26 -2.29 118.70 125.40 1x5r s GLU 18 Ca 0.05 -0.78 -0.06 0.00 0.36 0.00 0.00 54.97 54.53 1x5r s GLU 18 Cb -0.10 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1x5r s GLU 18 CO 0.04 -0.30 0.04 0.08 -0.54 0.00 0.00 175.26 174.57 1x5r s VAL 19 N 1.42 4.53 -0.20 3.70 1.01 -0.51 -4.91 120.40 125.45 1x5r s VAL 19 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1x5r s VAL 19 Cb -0.15 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1x5r s VAL 19 CO -0.03 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 1x5r s VAL 20 N 0.42 2.98 0.04 2.92 1.01 -1.26 -0.79 120.40 125.72 1x5r s VAL 20 Ca 0.01 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1x5r s VAL 20 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1x5r s VAL 20 CO 0.01 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 1x5r s LEU 21 N 1.36 2.51 -0.20 3.92 1.43 -1.09 -4.96 118.68 121.65 1x5r s LEU 21 Ca 0.05 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1x5r s LEU 21 Cb -0.14 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1x5r s LEU 21 CO -0.06 0.26 -0.05 0.00 0.23 0.00 0.00 176.35 176.73 1x5r n GLY 23 N 4.80 2.96 3.96 0.00 0.00 -1.23 -4.95 105.19 110.73 1x5r n GLY 23 Ca -0.12 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.15 5.92 0.44 1.61 1.11 -1.13 -4.14 116.67 118.33 1x5r s ASP 24 Ca 0.17 0.14 0.24 0.00 0.18 0.00 0.00 52.55 53.28 1x5r s ASP 24 Cb 0.00 -1.48 0.71 0.00 1.07 0.00 0.00 42.92 43.23 1x5r s ASP 24 CO 0.12 -0.57 1.74 1.55 1.18 0.00 0.00 175.17 179.19 1x5r h PRO 25 N 0.60 0.00 0.00 8.23 0.13 -1.85 0.39 132.00 139.50 1x5r h PRO 25 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1x5r h PRO 25 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1x5r h PRO 25 CO 0.56 0.17 -0.77 -0.07 -0.23 0.00 0.00 178.00 177.66 1x5r h LEU 26 N 0.00 0.00 0.00 1.56 3.38 -1.94 -3.35 115.31 114.96 1x5r h LEU 26 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1x5r h LEU 26 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x5r h LEU 26 CO 0.02 1.08 0.00 -0.24 0.09 0.00 0.00 178.44 179.39 1x5r n SER 27 N -4.55 0.00 0.00 -0.43 2.88 -1.25 -4.96 113.62 105.32 1x5r n SER 27 Ca -0.18 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1x5r n SER 27 Cb 0.44 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1x5r n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 28 N 0.62 2.74 0.00 0.46 0.00 0.14 -4.70 105.19 104.45 1x5r n GLY 28 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 14.00 0.00 0.00 1.61 3.72 -1.26 -2.84 117.46 132.69 1x5r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x5r n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N 4.36 -0.93 3.64 1.37 0.00 -1.26 -4.05 105.19 108.32 1x5r n GLY 30 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.81 -0.12 0.99 0.05 -1.26 -3.02 118.68 114.51 1x5r s LEU 31 Ca 0.00 1.41 0.00 0.00 0.05 0.00 0.00 54.13 55.59 1x5r s LEU 31 Cb 0.00 2.35 -0.02 0.00 -2.05 0.00 0.00 46.19 46.47 1x5r s LEU 31 CO 0.00 -0.23 -0.12 -1.10 -0.55 0.00 0.00 176.35 174.35 1x5r s GLN 32 N 1.04 3.27 0.34 1.48 -1.52 0.34 -4.97 119.66 119.64 1x5r s GLN 32 Ca -0.05 -0.66 -0.00 0.00 -1.95 0.00 0.00 55.36 52.69 1x5r s GLN 32 Cb -0.05 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 1x5r s GLN 32 CO -0.11 0.30 0.55 -0.51 -0.25 0.00 0.00 175.29 175.27 1x5r s LEU 33 N 0.14 4.01 -0.11 2.90 1.43 -1.26 0.89 118.68 126.68 1x5r s LEU 33 Ca -0.06 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1x5r s LEU 33 Cb -0.15 -3.35 0.05 0.00 0.03 0.00 0.00 46.19 42.76 1x5r s LEU 33 CO 0.04 -0.29 0.07 -1.58 0.23 0.00 0.00 176.35 174.83 1x5r s GLN 34 N -4.22 0.01 0.00 1.70 0.74 0.52 -4.21 119.66 114.20 1x5r s GLN 34 Ca 0.41 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1x5r s GLN 34 Cb -0.10 -1.20 0.00 0.00 1.10 0.00 0.00 33.01 32.82 1x5r s GLN 34 CO 0.36 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 1x5r n GLY 35 N 5.28 4.48 3.27 2.59 0.00 -1.26 -0.37 105.19 119.18 1x5r n GLY 35 Ca -0.05 -1.05 -0.35 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 -2.93 0.10 -0.02 0.00 -1.26 -4.90 105.19 96.17 1x5r n GLY 36 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.90 1.10 -3.52 -0.61 2.04 -2.01 -3.43 117.51 110.18 1x5r h ILE 37 Ca -0.44 -0.77 -0.53 0.00 1.00 0.00 0.00 64.86 64.12 1x5r h ILE 37 Cb 1.32 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1x5r h ILE 37 CO 0.33 0.19 0.24 -0.36 0.00 0.00 0.00 178.15 178.55 1x5r s PHE 38 N -4.71 3.82 -0.05 1.37 0.40 -1.26 -4.97 117.98 112.58 1x5r s PHE 38 Ca -0.15 1.65 -0.22 0.00 -0.60 0.00 0.00 56.93 57.61 1x5r s PHE 38 Cb 0.03 -2.89 -0.31 0.00 0.51 0.00 0.00 43.02 40.35 1x5r s PHE 38 CO 0.63 0.33 0.89 0.00 0.70 0.00 0.00 175.22 177.77 1x5r h ALA 39 N 5.18 -0.09 -0.36 5.36 0.00 -1.99 -3.40 119.26 123.96 1x5r h ALA 39 Ca -0.44 -0.71 -0.33 0.00 0.00 0.00 0.00 54.91 53.42 1x5r h ALA 39 Cb 1.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1x5r h ALA 39 CO 0.70 0.40 1.08 0.25 0.00 0.00 0.00 179.25 181.67 1x5r n THR 40 N -4.11 1.65 0.00 0.00 -2.24 -1.26 -3.53 114.28 104.79 1x5r n THR 40 Ca -0.14 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1x5r n THR 40 Cb 0.83 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 8.13 0.00 -0.70 -0.78 0.28 -1.26 -5.09 120.64 121.21 1x5r n GLU 41 Ca 0.45 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.13 1x5r n GLU 41 Cb 0.46 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.49 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 -0.37 0.00 -3.82 3.84 -1.04 -1.26 -3.55 114.28 108.08 1x5r n THR 42 Ca 0.00 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.05 61.55 1x5r n THR 42 Cb 0.00 -0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 67.52 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 -4.57 3.23 0.26 -4.42 1.43 -0.21 -4.81 118.68 109.59 1x5r s LEU 43 Ca 0.63 -0.34 0.14 0.00 -1.03 0.00 0.00 54.13 53.53 1x5r s LEU 43 Cb -0.22 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1x5r s LEU 43 CO 0.62 -0.04 1.43 0.28 0.23 0.00 0.00 176.35 178.87 1x5r h SER 44 N 8.18 0.00 -4.40 2.29 0.02 -1.90 -3.39 113.55 114.35 1x5r h SER 44 Ca -0.39 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.29 1x5r h SER 44 Cb 1.16 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.56 1x5r h SER 44 CO 0.59 0.57 -0.69 -0.94 -1.14 0.00 0.00 176.83 175.22 1x5r s SER 45 N -6.50 1.34 0.27 3.07 1.04 -1.26 -5.01 113.70 106.65 1x5r s SER 45 Ca 0.03 -1.07 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 1x5r s SER 45 Cb 0.08 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1x5r s SER 45 CO 0.75 -0.47 1.08 -2.16 0.98 0.00 0.00 173.24 173.42 1x5r s PRO 46 N -3.84 4.66 0.26 4.02 0.04 -1.26 -4.81 135.00 134.08 1x5r s PRO 46 Ca 0.18 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1x5r s PRO 46 Cb 0.05 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1x5r s PRO 46 CO -0.00 0.25 1.08 -1.25 0.04 0.00 0.00 177.00 177.12 1x5r s PRO 47 N -1.40 4.65 0.49 0.56 0.04 -1.24 -4.67 135.00 133.43 1x5r s PRO 47 Ca 0.44 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1x5r s PRO 47 Cb -0.31 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 1x5r s PRO 47 CO 0.40 0.22 0.74 -0.51 0.04 0.00 0.00 177.00 177.89 1x5r s LEU 48 N -1.26 3.53 -0.82 -3.56 1.43 0.50 -1.37 118.68 117.13 1x5r s LEU 48 Ca 0.45 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.71 1x5r s LEU 48 Cb -0.31 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1x5r s LEU 48 CO 0.39 -0.80 1.62 -0.69 0.23 0.00 0.00 176.35 177.10 1x5r s VAL 49 N -2.68 3.62 0.12 -1.59 1.01 -1.17 0.19 120.40 119.90 1x5r s VAL 49 Ca 0.50 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1x5r s VAL 49 Cb -0.10 -4.51 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1x5r s VAL 49 CO 0.40 -1.44 1.66 0.00 0.00 0.00 0.00 175.10 175.72 1x5r s PHE 51 N -6.12 0.16 0.03 0.00 2.19 -1.16 -4.89 117.98 108.19 1x5r s PHE 51 Ca -0.15 -0.53 0.02 0.00 0.33 0.00 0.00 56.93 56.60 1x5r s PHE 51 Cb 0.09 0.26 -0.02 0.00 -1.31 0.00 0.00 43.02 42.04 1x5r s PHE 51 CO 0.67 -0.94 -0.06 0.42 1.83 0.00 0.00 175.22 177.14 1x5r s ILE 52 N -3.95 0.42 0.21 3.12 1.01 -1.26 0.13 121.20 120.87 1x5r s ILE 52 Ca 0.16 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1x5r s ILE 52 Cb -0.00 -0.46 -0.08 0.00 0.01 0.00 0.00 42.46 41.92 1x5r s ILE 52 CO 0.03 -0.27 0.97 -1.61 0.00 0.00 0.00 174.94 174.07 1x5r s GLU 53 N -1.14 4.78 -0.11 2.79 2.02 -1.17 -4.96 118.70 120.91 1x5r s GLU 53 Ca -0.08 1.53 -0.30 0.00 0.02 0.00 0.00 54.97 56.15 1x5r s GLU 53 Cb -0.08 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1x5r s GLU 53 CO 0.00 0.38 1.25 -1.25 0.02 0.00 0.00 175.26 175.66 1x5r s PRO 54 N -0.86 4.28 -0.29 0.39 0.04 -1.26 -2.34 135.00 134.95 1x5r s PRO 54 Ca 0.43 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1x5r s PRO 54 Cb -0.26 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1x5r s PRO 54 CO 0.33 -0.60 0.00 -3.47 0.04 0.00 0.00 177.00 173.29 1x5r n ASP 55 N 6.02 -3.49 -4.30 6.66 -0.08 -1.26 -5.02 116.55 115.08 1x5r n ASP 55 Ca 0.13 0.07 -0.28 0.00 -1.51 0.00 0.00 54.79 53.20 1x5r n ASP 55 Cb 0.45 -1.23 0.16 0.00 2.34 0.00 0.00 41.12 42.84 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 -2.69 3.49 0.03 1.67 1.04 -0.99 -4.88 113.70 111.37 1x5r s SER 56 Ca 0.00 0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.36 1x5r s SER 56 Cb 0.00 -0.26 -0.21 0.00 0.10 0.00 0.00 66.02 65.65 1x5r s SER 56 CO 0.00 -2.47 1.17 1.55 0.98 0.00 0.00 173.24 174.46 1x5r h PRO 57 N -1.32 0.51 -0.27 4.02 0.13 -1.85 0.34 132.00 133.56 1x5r h PRO 57 Ca -0.42 -0.50 0.03 0.00 -0.87 0.00 0.00 66.00 64.24 1x5r h PRO 57 Cb 1.25 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1x5r h PRO 57 CO 0.39 1.13 0.18 0.00 -0.23 0.00 0.00 178.00 179.47 1x5r h ALA 58 N 0.39 1.97 0.18 -0.56 0.00 -1.84 -1.40 119.26 118.00 1x5r h ALA 58 Ca -0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1x5r h ALA 58 Cb 1.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1x5r h ALA 58 CO 0.13 -0.01 -1.56 1.49 0.00 0.00 0.00 179.25 179.30 1x5r h GLU 59 N 0.23 0.37 -0.98 0.00 4.57 -1.74 -3.31 114.58 113.72 1x5r h GLU 59 Ca 0.11 -0.63 0.16 0.00 -1.18 0.00 0.00 59.36 57.82 1x5r h GLU 59 Cb 0.17 0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 28.90 1x5r h GLU 59 CO -0.02 1.27 0.61 0.00 -1.18 0.00 0.00 179.01 179.70 1x5r h ARG 60 N 0.10 0.79 0.00 1.92 3.08 0.12 0.83 114.38 121.22 1x5r h ARG 60 Ca -0.27 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 1x5r h ARG 60 Cb 2.08 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 1x5r h ARG 60 CO 0.20 0.52 -0.14 0.00 -1.07 0.00 0.00 179.97 179.48 1x5r n GLY 62 N -1.07 1.20 0.34 0.00 0.00 0.29 -4.62 105.19 101.33 1x5r n GLY 62 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.49 -4.77 0.99 4.77 -1.26 -4.24 117.00 112.00 1x5r n LEU 63 Ca 0.00 1.57 -0.39 0.00 -0.03 0.00 0.00 56.01 57.16 1x5r n LEU 63 Cb 0.00 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1x5r n LEU 63 CO 0.00 -1.45 0.92 -0.22 -1.33 0.00 0.00 177.39 175.31 1x5r s LEU 64 N -10.78 4.21 0.02 2.23 2.96 -1.26 -5.01 118.68 111.05 1x5r s LEU 64 Ca -0.13 2.55 -0.28 0.00 -0.22 0.00 0.00 54.13 56.05 1x5r s LEU 64 Cb 0.21 -3.94 0.10 0.00 0.50 0.00 0.00 46.19 43.05 1x5r s LEU 64 CO 0.67 -0.80 0.96 -1.10 -1.32 0.00 0.00 176.35 174.77 1x5r s GLN 65 N -2.26 0.85 0.18 1.98 -0.21 -1.26 -4.79 119.66 114.15 1x5r s GLN 65 Ca 0.57 -0.38 -0.32 0.00 0.02 0.00 0.00 55.36 55.26 1x5r s GLN 65 Cb -0.36 0.35 -0.11 0.00 1.00 0.00 0.00 33.01 33.89 1x5r s GLN 65 CO 0.45 -0.38 1.63 0.08 -2.12 0.00 0.00 175.29 174.96 1x5r s VAL 66 N -3.05 2.39 0.00 1.09 1.01 -1.26 -1.92 120.40 118.65 1x5r s VAL 66 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1x5r s VAL 66 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x5r s VAL 66 CO -0.05 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1x5r n GLY 67 N 3.85 1.91 3.09 4.51 0.00 -1.13 -4.92 105.19 112.51 1x5r n GLY 67 Ca 0.15 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 -2.69 -3.96 1.61 9.92 -0.81 -4.59 116.55 116.05 1x5r n ASP 68 Ca 0.00 -0.17 -0.27 0.00 -0.53 0.00 0.00 54.79 53.82 1x5r n ASP 68 Cb 0.00 -0.75 -0.17 0.00 -0.64 0.00 0.00 41.12 39.56 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 -3.00 1.75 -0.38 -1.24 3.00 -1.26 -3.05 118.95 114.77 1x5r s ARG 69 Ca 0.41 -0.36 -0.20 0.00 0.00 0.00 0.00 55.73 55.58 1x5r s ARG 69 Cb -0.04 -1.67 0.01 0.00 0.00 0.00 0.00 34.95 33.25 1x5r s ARG 69 CO 0.52 -0.19 0.63 0.08 0.00 0.00 0.00 175.30 176.33 1x5r s VAL 70 N 1.43 4.88 -0.12 3.52 1.01 -0.47 -3.01 120.40 127.64 1x5r s VAL 70 Ca 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 1x5r s VAL 70 Cb -0.13 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 1x5r s VAL 70 CO -0.06 -0.38 0.39 -0.07 0.00 0.00 0.00 175.10 174.97 1x5r h LEU 71 N 9.45 0.00 -8.41 3.92 3.38 -0.85 -3.30 115.31 119.49 1x5r h LEU 71 Ca -0.26 -0.50 -0.18 0.00 0.09 0.00 0.00 57.88 57.03 1x5r h LEU 71 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 1x5r h LEU 71 CO 0.85 0.76 -0.53 -0.94 0.09 0.00 0.00 178.44 178.66 1x5r s SER 72 N -5.90 0.17 -0.20 -0.43 1.04 -1.25 -1.74 113.70 105.39 1x5r s SER 72 Ca -0.10 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 1x5r s SER 72 Cb -0.01 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1x5r s SER 72 CO 0.35 -0.83 -0.02 -0.63 0.98 0.00 0.00 173.24 173.08 1x5r s ILE 73 N -4.07 1.08 -0.45 -1.02 1.01 0.19 -2.67 121.20 115.28 1x5r s ILE 73 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1x5r s ILE 73 Cb 0.06 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1x5r s ILE 73 CO 0.06 -0.07 0.00 0.59 0.00 0.00 0.00 174.94 175.52 1x5r n ASN 74 N 4.85 -4.66 0.00 3.58 3.02 0.49 -1.23 115.26 121.32 1x5r n ASN 74 Ca -0.11 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1x5r n ASN 74 Cb 0.46 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.10 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 -0.94 0.84 3.48 7.41 0.00 -1.26 -4.94 105.19 109.77 1x5r n GLY 75 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 5.27 -0.16 -0.61 -1.09 -0.36 -5.02 121.20 117.22 1x5r s ILE 76 Ca 0.00 -0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 1x5r s ILE 76 Cb 0.00 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1x5r s ILE 76 CO 0.00 -0.23 1.83 0.00 -1.23 0.00 0.00 174.94 175.31 1x5r s ALA 77 N 1.69 3.23 0.03 9.38 0.00 -1.26 0.55 121.76 135.38 1x5r s ALA 77 Ca 0.05 0.74 0.29 0.00 0.00 0.00 0.00 51.96 53.04 1x5r s ALA 77 Cb -0.19 -3.90 1.52 0.00 0.00 0.00 0.00 23.12 20.55 1x5r s ALA 77 CO 0.10 -2.04 1.88 1.79 0.00 0.00 0.00 175.76 177.49 1x5r h THR 78 N 6.24 0.00 0.00 0.00 1.35 -1.65 0.27 112.91 119.12 1x5r h THR 78 Ca -0.39 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1x5r h THR 78 Cb 1.19 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1x5r h THR 78 CO 0.98 0.00 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.75 1x5r h GLU 79 N 0.00 0.00 -0.68 4.72 4.39 -1.76 -3.13 114.58 118.13 1x5r h GLU 79 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1x5r h GLU 79 Cb 0.06 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.58 1x5r h GLU 79 CO 0.00 0.00 0.24 -0.25 -1.16 0.00 0.00 179.01 177.84 1x5r n ASP 80 N -2.49 4.47 -0.22 1.42 8.00 0.94 -4.38 116.55 124.29 1x5r n ASP 80 Ca 0.04 -3.29 0.00 0.00 0.71 0.00 0.00 54.79 52.26 1x5r n ASP 80 Cb 0.47 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5r n GLY 81 N -0.35 3.09 3.61 0.44 0.00 -1.18 -4.97 105.19 105.83 1x5r n GLY 81 Ca 0.40 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.75 3.43 0.12 2.61 -4.23 -1.26 -1.04 115.64 112.51 1x5r s THR 82 Ca 0.00 -1.55 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1x5r s THR 82 Cb 0.00 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 1x5r s THR 82 CO 0.00 -0.10 1.31 0.80 -0.54 0.00 0.00 174.62 176.09 1x5r n MET 83 N -0.01 -0.32 -0.24 3.99 1.56 -1.23 -0.20 117.12 120.65 1x5r n MET 83 Ca -0.10 1.29 -0.07 0.00 -0.27 0.00 0.00 57.70 58.55 1x5r n MET 83 Cb 0.55 -1.90 -0.02 0.00 2.15 0.00 0.00 33.22 34.00 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 -0.16 -1.00 2.12 4.81 -1.91 0.56 114.58 119.01 1x5r h GLU 84 Ca 0.12 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1x5r h GLU 84 Cb 0.30 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.57 1x5r h GLU 84 CO -0.69 -0.11 -0.43 0.39 -0.73 0.00 0.00 179.01 177.44 1x5r n GLU 85 N -5.41 -0.28 -0.17 1.92 -0.58 0.72 0.18 120.64 117.01 1x5r n GLU 85 Ca 0.03 1.53 -0.02 0.00 -0.42 0.00 0.00 57.16 58.28 1x5r n GLU 85 Cb 0.35 -2.26 0.06 0.00 -0.57 0.00 0.00 31.44 29.02 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 1.18 0.44 0.02 0.62 0.00 -0.33 0.37 119.26 121.56 1x5r h ALA 86 Ca 0.31 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x5r h ALA 86 Cb 0.55 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x5r h ALA 86 CO -0.98 -0.42 -0.01 -0.91 0.00 0.00 0.00 179.25 176.94 1x5r h ASN 87 N 0.06 -0.02 -0.97 0.00 2.35 0.13 -2.30 115.58 114.82 1x5r h ASN 87 Ca 0.27 -0.17 0.24 0.00 -0.55 0.00 0.00 56.30 56.08 1x5r h ASN 87 Cb 0.41 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 1x5r h ASN 87 CO -0.50 0.16 0.65 -0.61 -1.65 0.00 0.00 177.43 175.48 1x5r h GLN 88 N -0.21 0.32 -0.14 0.81 5.75 0.32 0.24 115.11 122.21 1x5r h GLN 88 Ca -0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1x5r h GLN 88 Cb 0.20 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1x5r h GLN 88 CO 0.00 0.21 0.04 -0.07 -2.65 0.00 0.00 178.83 176.37 1x5r h LEU 89 N 0.33 0.20 -2.07 -2.39 3.38 0.21 -0.09 115.31 114.90 1x5r h LEU 89 Ca 0.52 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.36 1x5r h LEU 89 Cb 1.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1x5r h LEU 89 CO -0.19 0.36 0.22 -0.07 0.09 0.00 0.00 178.44 178.85 1x5r h LEU 90 N 0.04 0.00 0.16 1.67 -0.00 -0.19 0.77 115.31 117.76 1x5r h LEU 90 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1x5r h LEU 90 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1x5r h LEU 90 CO -0.00 0.00 -0.08 -0.09 -0.00 0.00 0.00 178.44 178.27 1x5r h ARG 91 N 0.00 -0.20 -0.77 1.13 2.43 -0.49 -2.42 114.38 114.06 1x5r h ARG 91 Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1x5r h ARG 91 Cb 0.57 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1x5r h ARG 91 CO -0.00 0.19 0.50 0.22 -1.51 0.00 0.00 179.97 179.37 1x5r h ASP 92 N -0.93 0.90 -0.72 -3.80 1.82 -0.33 -0.62 116.42 112.74 1x5r h ASP 92 Ca -0.02 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1x5r h ASP 92 Cb 0.49 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 1x5r h ASP 92 CO 0.04 0.66 0.47 0.00 -1.61 0.00 0.00 179.24 178.79 1x5r h ALA 93 N 1.50 1.47 -0.67 -0.78 0.00 0.48 -1.00 119.26 120.26 1x5r h ALA 93 Ca 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1x5r h ALA 93 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1x5r h ALA 93 CO -0.06 0.49 0.17 0.00 0.00 0.00 0.00 179.25 179.85 1x5r h ALA 94 N 1.53 1.04 0.00 0.00 0.00 -0.60 -0.02 119.26 121.22 1x5r h ALA 94 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x5r h ALA 94 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1x5r h ALA 94 CO -0.05 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1x5r n LEU 95 N -4.24 0.39 0.00 0.00 4.77 -0.42 -0.18 117.00 117.32 1x5r n LEU 95 Ca 0.05 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.77 1x5r n LEU 95 Cb 0.25 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1x5r n LEU 95 CO 0.42 -0.60 -0.02 0.00 -1.33 0.00 0.00 177.39 175.85 1x5r n ALA 96 N -1.67 4.46 -0.99 -1.18 0.00 -0.08 -4.94 120.51 116.11 1x5r n ALA 96 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1x5r n ALA 96 Cb 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.56 0.00 -3.71 0.00 8.25 0.74 -4.93 115.22 114.01 1x5r n HIS 97 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1x5r n HIS 97 Cb 0.35 -1.22 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 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 -1.20 0.55 0.09 -0.41 2.20 -1.08 -3.48 119.74 116.41 1x5r s LYS 98 Ca 0.00 0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 56.19 1x5r s LYS 98 Cb 0.00 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1x5r s LYS 98 CO 0.00 -0.07 0.11 0.54 -0.36 0.00 0.00 175.35 175.57 1x5r s VAL 99 N 0.20 0.15 -0.06 4.02 0.11 -0.75 -4.55 120.40 119.51 1x5r s VAL 99 Ca -0.00 -1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 57.51 1x5r s VAL 99 Cb -0.03 -1.58 0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1x5r s VAL 99 CO 0.01 -0.69 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.37 1x5r s VAL 100 N -3.92 0.49 0.16 2.04 1.01 -1.25 -2.67 120.40 116.25 1x5r s VAL 100 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1x5r s VAL 100 Cb 0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1x5r s VAL 100 CO -0.07 0.25 -0.06 -0.76 0.00 0.00 0.00 175.10 174.46 1x5r s LEU 101 N 1.52 3.11 -0.20 3.92 2.01 0.03 0.19 118.68 129.25 1x5r s LEU 101 Ca -0.02 -0.46 -0.00 0.00 0.01 0.00 0.00 54.13 53.66 1x5r s LEU 101 Cb -0.13 -1.81 0.05 0.00 0.01 0.00 0.00 46.19 44.31 1x5r s LEU 101 CO -0.03 0.12 -0.05 -0.70 1.01 0.00 0.00 176.35 176.70 1x5r s GLU 102 N -2.70 1.48 0.09 1.70 2.12 -1.09 -1.42 118.70 118.88 1x5r s GLU 102 Ca 0.25 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1x5r s GLU 102 Cb -0.10 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1x5r s GLU 102 CO 0.16 -0.52 0.15 0.08 -0.54 0.00 0.00 175.26 174.59 1x5r s VAL 103 N 1.55 4.92 0.02 3.70 1.01 -0.97 -0.13 120.40 130.49 1x5r s VAL 103 Ca -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1x5r s VAL 103 Cb -0.17 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1x5r s VAL 103 CO -0.07 0.08 -0.14 -0.70 0.00 0.00 0.00 175.10 174.27 1x5r s GLU 104 N -2.59 2.29 -0.20 2.72 2.12 -1.16 -2.13 118.70 119.74 1x5r s GLU 104 Ca 0.32 -0.86 -0.35 0.00 0.36 0.00 0.00 54.97 54.44 1x5r s GLU 104 Cb -0.12 -2.32 0.14 0.00 0.26 0.00 0.00 34.13 32.10 1x5r s GLU 104 CO 0.25 0.57 1.23 -0.59 -0.54 0.00 0.00 175.26 176.18 1x5r s PHE 105 N -0.92 -0.12 -1.85 5.30 -0.12 -1.06 -4.65 117.98 114.56 1x5r s PHE 105 Ca 0.15 0.08 0.21 0.00 -0.05 0.00 0.00 56.93 57.32 1x5r s PHE 105 Cb -0.11 0.51 0.64 0.00 -0.63 0.00 0.00 43.02 43.44 1x5r s PHE 105 CO 0.05 -0.18 1.54 -0.25 -0.05 0.00 0.00 175.22 176.34 1x5r n ASP 106 N -0.04 3.98 -2.51 1.98 8.00 -1.26 -2.50 116.55 124.20 1x5r n ASP 106 Ca 0.01 -2.08 -0.04 0.00 0.71 0.00 0.00 54.79 53.39 1x5r n ASP 106 Cb 0.58 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1x5r n ASP 106 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1x5r n SER 107 N 1.50 -2.29 0.00 -2.24 3.41 -1.26 -4.97 113.62 107.78 1x5r n SER 107 Ca 0.24 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 60.08 1x5r n SER 107 Cb 0.65 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.75 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5r n GLY 108 N 1.29 -0.54 3.80 5.00 0.00 -1.26 -5.14 105.19 108.35 1x5r n GLY 108 Ca -0.28 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.77 3.51 -0.30 1.61 0.04 -1.26 -5.06 135.00 131.77 1x5r s PRO 109 Ca 0.00 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1x5r s PRO 109 Cb 0.00 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.67 1x5r s PRO 109 CO 0.00 -0.66 0.67 0.45 0.04 0.00 0.00 177.00 177.50 1x5r s SER 110 N -2.59 -1.29 0.15 6.66 0.15 -1.26 -5.01 113.70 110.51 1x5r s SER 110 Ca 0.64 0.65 0.11 0.00 0.70 0.00 0.00 55.95 58.05 1x5r s SER 110 Cb -0.16 2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 66.13 1x5r s SER 110 CO 0.32 -0.24 -0.26 -0.55 1.20 0.00 0.00 173.24 173.71 1x5r s SER 111 N 2.87 3.37 0.00 5.45 0.15 -1.26 -5.14 113.70 119.14 1x5r s SER 111 Ca 0.16 -0.79 0.13 0.00 0.70 0.00 0.00 55.95 56.15 1x5r s SER 111 Cb -0.13 -0.24 0.75 0.00 -1.71 0.00 0.00 66.02 64.69 1x5r s SER 111 CO -0.21 0.16 1.18 0.61 1.20 0.00 0.00 173.24 176.18