#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 -8.47 -4.13 1.61 2.88 -1.26 -5.07 113.62 99.19 1x5r n SER 2 Ca 0.00 1.22 -0.09 0.00 -1.33 0.00 0.00 58.87 58.67 1x5r n SER 2 Cb 0.00 -4.53 -0.10 0.00 -0.75 0.00 0.00 64.21 58.83 1x5r n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5r s SER 3 N -1.20 0.87 -0.49 -3.46 1.04 -1.26 -5.08 113.70 104.12 1x5r s SER 3 Ca 0.00 -0.96 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 1x5r s SER 3 Cb 0.00 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 66.17 1x5r s SER 3 CO 0.00 -0.49 2.41 0.61 0.98 0.00 0.00 173.24 176.75 1x5r n GLY 4 N 0.15 0.25 3.42 7.32 0.00 -1.26 -4.87 105.19 110.20 1x5r n GLY 4 Ca -0.14 0.73 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5r s SER 5 N 11.21 -0.29 0.38 1.61 1.04 -1.26 -5.17 113.70 121.22 1x5r s SER 5 Ca 1.03 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1x5r s SER 5 Cb -0.33 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1x5r s SER 5 CO 0.30 -0.96 0.57 -0.44 0.98 0.00 0.00 173.24 173.70 1x5r s SER 6 N -2.83 6.02 0.00 7.02 0.01 -1.26 -5.07 113.70 117.59 1x5r s SER 6 Ca 0.06 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1x5r s SER 6 Cb 0.00 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1x5r s SER 6 CO -0.08 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1x5r n GLY 7 N -1.85 0.63 0.00 3.44 0.00 -1.26 -5.19 105.19 100.95 1x5r n GLY 7 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.83 -1.98 0.00 -0.02 0.00 -1.26 -5.15 105.19 99.60 1x5r n GLY 8 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.43 0.69 3.49 -0.02 0.00 -1.26 -5.14 105.19 102.52 1x5r n GLY 9 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1x5r n GLY 9 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5r s GLN 10 N 1.91 1.00 0.21 1.61 -2.07 -1.26 -5.18 119.66 115.88 1x5r s GLN 10 Ca 0.00 -0.17 0.10 0.00 -1.82 0.00 0.00 55.36 53.47 1x5r s GLN 10 Cb 0.00 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1x5r s GLN 10 CO 0.00 -0.40 -0.20 0.96 -1.32 0.00 0.00 175.29 174.34 1x5r s ILE 11 N -2.61 2.14 0.31 3.63 -5.25 -1.26 -5.11 121.20 113.05 1x5r s ILE 11 Ca -0.01 -2.13 -0.29 0.00 -0.99 0.00 0.00 60.65 57.23 1x5r s ILE 11 Cb -0.01 -2.07 -0.11 0.00 2.95 0.00 0.00 42.46 43.22 1x5r s ILE 11 CO -0.05 -0.32 1.48 -0.69 -1.79 0.00 0.00 174.94 173.57 1x5r s VAL 12 N -2.20 2.31 0.16 8.37 1.01 -1.26 -4.90 120.40 123.89 1x5r s VAL 12 Ca 0.22 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1x5r s VAL 12 Cb -0.05 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1x5r s VAL 12 CO 0.10 0.06 1.57 0.45 0.00 0.00 0.00 175.10 177.27 1x5r h HIS 13 N 4.09 -1.35 -3.71 5.22 -0.00 -2.04 -3.41 115.15 113.95 1x5r h HIS 13 Ca -0.48 0.08 -0.46 0.00 -0.00 0.00 0.00 60.37 59.51 1x5r h HIS 13 Cb 1.23 0.66 0.10 0.00 -0.00 0.00 0.00 27.41 29.39 1x5r h HIS 13 CO 0.57 -0.44 0.27 0.99 -0.00 0.00 0.00 177.93 179.31 1x5r s THR 14 N -5.80 2.18 0.13 2.45 2.01 -1.26 -5.09 115.64 110.26 1x5r s THR 14 Ca -0.14 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1x5r s THR 14 Cb 0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1x5r s THR 14 CO 0.65 0.00 0.27 -1.61 -0.69 0.00 0.00 174.62 173.24 1x5r s GLU 15 N -5.37 3.44 0.00 4.92 8.01 -1.18 -5.03 118.70 123.49 1x5r s GLU 15 Ca 0.63 -0.55 0.01 0.00 0.01 0.00 0.00 54.97 55.08 1x5r s GLU 15 Cb -0.09 -2.98 -0.01 0.00 -4.31 0.00 0.00 34.13 26.74 1x5r s GLU 15 CO 0.46 0.54 -0.05 0.95 0.01 0.00 0.00 175.26 177.17 1x5r s THR 16 N -1.69 0.37 -0.11 3.63 -4.23 -1.26 -2.92 115.64 109.42 1x5r s THR 16 Ca 0.35 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1x5r s THR 16 Cb -0.12 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.40 1x5r s THR 16 CO 0.28 0.03 -0.20 0.28 -0.54 0.00 0.00 174.62 174.48 1x5r s THR 17 N -0.27 1.83 -0.24 3.99 -1.32 -0.50 -4.94 115.64 114.18 1x5r s THR 17 Ca 0.00 -0.86 -0.09 0.00 -1.21 0.00 0.00 61.69 59.54 1x5r s THR 17 Cb -0.03 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.31 1x5r s THR 17 CO -0.00 0.51 0.11 -0.70 -2.21 0.00 0.00 174.62 172.32 1x5r s GLU 18 N 0.69 3.84 -0.06 7.08 2.12 -1.25 -2.05 118.70 129.06 1x5r s GLU 18 Ca -0.12 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.87 1x5r s GLU 18 Cb -0.16 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 1x5r s GLU 18 CO 0.02 -0.06 -0.21 0.08 -0.54 0.00 0.00 175.26 174.55 1x5r s VAL 19 N 1.32 1.79 -0.59 3.70 1.01 -0.54 -4.94 120.40 122.14 1x5r s VAL 19 Ca 0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1x5r s VAL 19 Cb -0.15 -1.54 0.15 0.00 0.00 0.00 0.00 36.38 34.85 1x5r s VAL 19 CO 0.05 0.50 0.54 -0.69 0.00 0.00 0.00 175.10 175.50 1x5r s VAL 20 N 0.08 5.16 0.23 2.92 1.01 -1.26 -1.25 120.40 127.30 1x5r s VAL 20 Ca -0.08 -1.75 -0.12 0.00 0.00 0.00 0.00 61.98 60.02 1x5r s VAL 20 Cb -0.14 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 1x5r s VAL 20 CO 0.04 -0.89 0.60 -0.22 0.00 0.00 0.00 175.10 174.63 1x5r s LEU 21 N 1.26 4.20 -0.22 3.92 2.96 -0.57 -4.89 118.68 125.34 1x5r s LEU 21 Ca 0.07 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 55.01 1x5r s LEU 21 Cb -0.25 -3.66 0.07 0.00 0.50 0.00 0.00 46.19 42.84 1x5r s LEU 21 CO 0.00 -0.05 0.04 0.00 -1.32 0.00 0.00 176.35 175.02 1x5r n GLY 23 N 4.99 3.23 3.94 0.00 0.00 -1.23 -4.90 105.19 111.22 1x5r n GLY 23 Ca -0.08 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.56 6.33 0.24 1.61 1.01 -1.01 -4.14 116.67 117.15 1x5r s ASP 24 Ca 0.21 0.47 0.25 0.00 0.71 0.00 0.00 52.55 54.18 1x5r s ASP 24 Cb 0.01 -2.04 0.90 0.00 1.01 0.00 0.00 42.92 42.80 1x5r s ASP 24 CO 0.15 -0.24 1.75 -0.81 0.21 0.00 0.00 175.17 176.22 1x5r n PRO 25 N -1.50 0.23 -0.10 8.23 -0.04 -1.19 0.14 135.00 140.77 1x5r n PRO 25 Ca -0.04 0.32 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 1x5r n PRO 25 Cb 0.56 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1x5r n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x5r n LEU 26 N -2.25 1.85 0.09 1.53 4.77 -1.26 -4.36 117.00 117.37 1x5r n LEU 26 Ca 0.04 0.47 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1x5r n LEU 26 Cb 0.33 -0.92 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1x5r n LEU 26 CO 0.25 0.08 0.27 0.77 -1.33 0.00 0.00 177.39 177.43 1x5r h SER 27 N -1.00 0.09 0.00 -1.43 4.64 -1.97 -3.49 113.55 110.39 1x5r h SER 27 Ca -0.27 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1x5r h SER 27 Cb 1.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1x5r h SER 27 CO -0.17 0.90 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1x5r n GLY 28 N 0.89 1.38 0.04 -0.77 0.00 0.38 -3.88 105.19 103.24 1x5r n GLY 28 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 6.83 0.00 -3.83 1.61 3.72 -1.26 -2.41 117.46 122.12 1x5r n PHE 29 Ca 0.00 -0.27 -0.37 0.00 -0.05 0.00 0.00 57.45 56.76 1x5r n PHE 29 Cb 0.00 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N -0.30 -0.91 3.55 1.37 0.00 -1.25 -2.70 105.19 104.95 1x5r n GLY 30 Ca 0.01 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.84 -0.48 -0.15 0.99 0.05 -1.26 -2.12 118.68 108.87 1x5r s LEU 31 Ca 0.46 1.27 -0.01 0.00 0.05 0.00 0.00 54.13 55.91 1x5r s LEU 31 Cb -0.20 2.23 -0.01 0.00 -2.05 0.00 0.00 46.19 46.16 1x5r s LEU 31 CO 0.90 -0.24 -0.11 -1.10 -0.55 0.00 0.00 176.35 175.25 1x5r s GLN 32 N 0.26 3.40 -0.18 1.48 -1.52 0.98 -4.97 119.66 119.10 1x5r s GLN 32 Ca -0.01 -0.67 -0.08 0.00 -1.95 0.00 0.00 55.36 52.65 1x5r s GLN 32 Cb -0.04 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 1x5r s GLN 32 CO 0.01 0.14 0.10 -0.51 -0.25 0.00 0.00 175.29 174.78 1x5r s LEU 33 N 0.55 4.03 -0.23 2.90 1.43 -1.26 0.44 118.68 126.54 1x5r s LEU 33 Ca -0.07 0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1x5r s LEU 33 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1x5r s LEU 33 CO 0.03 0.20 0.07 -1.58 0.23 0.00 0.00 176.35 175.31 1x5r s GLN 34 N 0.20 3.76 0.00 1.70 0.74 0.61 -4.84 119.66 121.83 1x5r s GLN 34 Ca 0.07 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1x5r s GLN 34 Cb -0.12 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1x5r s GLN 34 CO -0.00 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 1x5r n GLY 35 N 4.46 3.68 3.13 2.59 0.00 -1.26 -1.39 105.19 116.41 1x5r n GLY 35 Ca -0.16 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.75 0.19 -0.02 0.00 -1.26 -4.83 105.19 96.51 1x5r n GLY 36 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 0.21 1.11 -3.62 -0.61 2.04 -2.00 -3.38 117.51 111.26 1x5r h ILE 37 Ca -0.36 -0.20 -0.60 0.00 1.00 0.00 0.00 64.86 64.70 1x5r h ILE 37 Cb 1.38 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 1x5r h ILE 37 CO 0.43 0.11 0.57 -0.36 0.00 0.00 0.00 178.15 178.90 1x5r s PHE 38 N -6.16 2.97 0.35 1.37 0.08 -1.26 -4.90 117.98 110.43 1x5r s PHE 38 Ca -0.13 0.48 0.17 0.00 0.12 0.00 0.00 56.93 57.56 1x5r s PHE 38 Cb 0.11 -3.86 1.20 0.00 -0.57 0.00 0.00 43.02 39.90 1x5r s PHE 38 CO 0.73 -1.02 1.60 0.00 -0.10 0.00 0.00 175.22 176.43 1x5r h ALA 39 N 8.91 1.97 -3.00 5.36 0.00 -1.97 -3.39 119.26 127.14 1x5r h ALA 39 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x5r h ALA 39 Cb 1.08 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1x5r h ALA 39 CO 1.01 -0.81 0.00 0.25 0.00 0.00 0.00 179.25 179.70 1x5r n THR 40 N -5.24 0.00 -1.60 0.00 -2.24 -1.26 -2.25 114.28 101.68 1x5r n THR 40 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1x5r n THR 40 Cb 1.14 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.96 -4.36 -1.16 -0.78 -0.58 -1.26 -4.49 120.64 107.06 1x5r n GLU 41 Ca 0.00 3.16 -0.35 0.00 -0.42 0.00 0.00 57.16 59.54 1x5r n GLU 41 Cb 0.00 -3.42 0.08 0.00 -0.57 0.00 0.00 31.44 27.53 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1x5r n THR 42 N 0.68 1.38 -3.07 2.62 -1.04 -1.26 -4.25 114.28 109.34 1x5r n THR 42 Ca 0.00 -0.35 -0.43 0.00 -2.04 0.00 0.00 64.05 61.22 1x5r n THR 42 Cb 0.00 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.74 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 -0.34 4.61 0.40 -4.42 1.43 -0.47 -4.88 118.68 115.00 1x5r s LEU 43 Ca 0.63 -0.58 0.21 0.00 -1.03 0.00 0.00 54.13 53.36 1x5r s LEU 43 Cb -0.32 -2.64 0.79 0.00 0.03 0.00 0.00 46.19 44.05 1x5r s LEU 43 CO 0.60 -0.93 1.78 -1.28 0.23 0.00 0.00 176.35 176.75 1x5r h SER 44 N 9.03 0.00 -4.48 2.29 0.87 -1.89 -3.39 113.55 115.99 1x5r h SER 44 Ca -0.26 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.01 1x5r h SER 44 Cb 1.09 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 1x5r h SER 44 CO 0.97 0.31 -0.67 -0.94 -0.53 0.00 0.00 176.83 175.97 1x5r s SER 45 N -6.35 1.25 0.37 6.23 1.04 -1.26 -5.01 113.70 109.98 1x5r s SER 45 Ca 0.00 -1.15 -0.25 0.00 0.48 0.00 0.00 55.95 55.03 1x5r s SER 45 Cb 0.11 0.11 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 1x5r s SER 45 CO 0.67 -0.54 1.06 -2.16 0.98 0.00 0.00 173.24 173.24 1x5r s PRO 46 N -3.89 4.26 0.34 4.02 0.04 -1.26 -4.76 135.00 133.74 1x5r s PRO 46 Ca 0.22 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1x5r s PRO 46 Cb 0.06 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1x5r s PRO 46 CO 0.03 -0.07 1.07 -1.25 0.04 0.00 0.00 177.00 176.82 1x5r s PRO 47 N -2.28 4.41 0.24 0.56 0.04 -1.26 -4.72 135.00 132.01 1x5r s PRO 47 Ca 0.55 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.31 1x5r s PRO 47 Cb -0.24 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1x5r s PRO 47 CO 0.30 0.05 0.17 -0.51 0.04 0.00 0.00 177.00 177.06 1x5r s LEU 48 N -2.02 3.76 0.26 -3.56 1.43 -0.48 -2.01 118.68 116.06 1x5r s LEU 48 Ca 0.51 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 1x5r s LEU 48 Cb -0.27 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 1x5r s LEU 48 CO 0.34 -0.02 1.19 -0.69 0.23 0.00 0.00 176.35 177.40 1x5r s VAL 49 N -2.11 3.28 -0.14 -1.59 1.01 -1.18 0.23 120.40 119.90 1x5r s VAL 49 Ca 0.32 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 1x5r s VAL 49 Cb -0.08 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1x5r s VAL 49 CO 0.24 0.26 -0.17 0.00 0.00 0.00 0.00 175.10 175.43 1x5r s PHE 51 N -2.27 0.19 -0.05 0.00 5.36 -1.24 -4.88 117.98 115.10 1x5r s PHE 51 Ca -0.20 -0.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.23 1x5r s PHE 51 Cb 0.07 -0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1x5r s PHE 51 CO 0.27 -0.44 -0.03 0.42 -1.46 0.00 0.00 175.22 173.97 1x5r s ILE 52 N -3.19 0.50 0.49 3.12 1.01 -1.26 -0.01 121.20 121.86 1x5r s ILE 52 Ca -0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1x5r s ILE 52 Cb 0.02 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.87 1x5r s ILE 52 CO -0.07 0.24 1.26 -1.61 0.00 0.00 0.00 174.94 174.75 1x5r s GLU 53 N 1.24 3.52 0.21 2.79 2.02 -0.90 -4.97 118.70 122.61 1x5r s GLU 53 Ca -0.06 2.01 -0.30 0.00 0.02 0.00 0.00 54.97 56.64 1x5r s GLU 53 Cb -0.14 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 1x5r s GLU 53 CO -0.02 -0.81 1.10 -1.25 0.02 0.00 0.00 175.26 174.30 1x5r s PRO 54 N -2.74 4.61 -0.43 0.39 0.04 -1.26 -2.60 135.00 133.01 1x5r s PRO 54 Ca 0.66 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1x5r s PRO 54 Cb -0.34 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1x5r s PRO 54 CO 0.42 0.12 0.00 -0.25 0.04 0.00 0.00 177.00 177.32 1x5r n ASP 55 N 1.97 -5.32 -4.06 6.66 9.92 -1.26 -4.96 116.55 119.50 1x5r n ASP 55 Ca 0.01 0.10 -0.28 0.00 -0.53 0.00 0.00 54.79 54.09 1x5r n ASP 55 Cb 0.46 -3.17 0.19 0.00 -0.64 0.00 0.00 41.12 37.95 1x5r n ASP 55 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1x5r n SER 56 N -0.78 0.37 -0.02 -2.24 3.41 -1.07 -4.85 113.62 108.43 1x5r n SER 56 Ca -0.04 -1.63 -0.15 0.00 -0.26 0.00 0.00 58.87 56.78 1x5r n SER 56 Cb 0.44 -0.95 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 1x5r n SER 56 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1x5r h PRO 57 N 0.00 0.26 -0.13 4.33 0.13 -1.83 0.10 132.00 134.87 1x5r h PRO 57 Ca -0.41 -0.25 0.04 0.00 -0.87 0.00 0.00 66.00 64.50 1x5r h PRO 57 Cb 1.21 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1x5r h PRO 57 CO 0.32 0.94 0.22 0.00 -0.23 0.00 0.00 178.00 179.25 1x5r h ALA 58 N 0.32 1.58 0.07 -0.56 0.00 -1.65 -0.81 119.26 118.21 1x5r h ALA 58 Ca -0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1x5r h ALA 58 Cb 1.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1x5r h ALA 58 CO 0.07 -0.29 -1.89 -1.91 0.00 0.00 0.00 179.25 175.23 1x5r n GLU 59 N -3.44 0.68 -0.26 0.00 4.07 -1.17 -4.14 120.64 116.38 1x5r n GLU 59 Ca 0.00 0.34 0.20 0.00 -0.06 0.00 0.00 57.16 57.64 1x5r n GLU 59 Cb 0.32 -1.68 0.51 0.00 -0.06 0.00 0.00 31.44 30.53 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 -0.31 0.40 0.00 5.31 3.08 0.55 1.35 114.38 124.76 1x5r h ARG 60 Ca -0.44 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 1x5r h ARG 60 Cb 1.79 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.74 1x5r h ARG 60 CO -0.05 0.26 -0.15 0.00 -1.07 0.00 0.00 179.97 178.96 1x5r n GLY 62 N -0.97 0.62 0.32 0.00 0.00 0.46 -4.30 105.19 101.33 1x5r n GLY 62 Ca -0.02 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 0.34 -9.59 0.99 8.10 -1.87 -3.38 115.31 109.90 1x5r h LEU 63 Ca 0.00 0.18 -0.53 0.00 0.11 0.00 0.00 57.88 57.64 1x5r h LEU 63 Cb 0.00 0.16 0.03 0.00 -0.44 0.00 0.00 40.66 40.41 1x5r h LEU 63 CO 0.00 -0.08 0.71 -0.22 -4.11 0.00 0.00 178.44 174.74 1x5r s LEU 64 N -10.50 4.38 0.25 0.17 0.20 -1.26 -4.99 118.68 106.93 1x5r s LEU 64 Ca -0.11 2.36 -0.16 0.00 0.69 0.00 0.00 54.13 56.91 1x5r s LEU 64 Cb 0.27 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.45 1x5r s LEU 64 CO 0.78 -0.62 0.56 0.00 -0.29 0.00 0.00 176.35 176.77 1x5r s GLN 65 N 0.72 1.58 0.21 1.98 -2.07 -1.26 -4.78 119.66 116.05 1x5r s GLN 65 Ca 0.62 -1.10 -0.31 0.00 -1.82 0.00 0.00 55.36 52.75 1x5r s GLN 65 Cb -0.37 0.52 -0.11 0.00 -1.09 0.00 0.00 33.01 31.96 1x5r s GLN 65 CO 0.33 -0.68 1.63 0.08 -1.32 0.00 0.00 175.29 175.32 1x5r s VAL 66 N -3.96 2.28 0.00 3.63 1.01 -1.26 -2.06 120.40 120.03 1x5r s VAL 66 Ca 0.16 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1x5r s VAL 66 Cb -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1x5r s VAL 66 CO 0.06 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1x5r n GLY 67 N 3.45 1.71 3.07 4.51 0.00 -0.90 -4.91 105.19 112.13 1x5r n GLY 67 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1x5r n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5r n ASP 68 N 0.00 -2.74 -4.42 1.61 9.92 -0.87 -4.57 116.55 115.48 1x5r n ASP 68 Ca 0.00 -0.22 -0.22 0.00 -0.53 0.00 0.00 54.79 53.82 1x5r n ASP 68 Cb 0.00 -0.76 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 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 -3.12 1.53 -0.34 -1.24 3.00 -1.26 -3.13 118.95 114.39 1x5r s ARG 69 Ca 0.40 -1.71 -0.01 0.00 0.00 0.00 0.00 55.73 54.41 1x5r s ARG 69 Cb -0.05 -1.43 0.12 0.00 0.00 0.00 0.00 34.95 33.59 1x5r s ARG 69 CO 0.46 0.23 0.16 0.08 0.00 0.00 0.00 175.30 176.23 1x5r s VAL 70 N -2.76 0.57 0.00 3.52 1.01 -0.85 -4.25 120.40 117.64 1x5r s VAL 70 Ca 0.27 -1.55 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 1x5r s VAL 70 Cb -0.02 -1.43 -0.13 0.00 0.00 0.00 0.00 36.38 34.80 1x5r s VAL 70 CO 0.11 -0.81 0.99 -0.07 0.00 0.00 0.00 175.10 175.33 1x5r h LEU 71 N 7.63 -0.73 -8.74 3.92 3.38 -1.05 -3.35 115.31 116.38 1x5r h LEU 71 Ca -0.08 0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 1x5r h LEU 71 Cb 0.99 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 1x5r h LEU 71 CO 0.41 -0.34 -0.70 -0.94 0.09 0.00 0.00 178.44 176.96 1x5r s SER 72 N -4.52 1.91 -0.16 -0.43 1.04 -1.25 0.21 113.70 110.49 1x5r s SER 72 Ca -0.13 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 1x5r s SER 72 Cb 0.01 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1x5r s SER 72 CO 0.38 -0.36 0.01 -0.63 0.98 0.00 0.00 173.24 173.62 1x5r s ILE 73 N -3.30 0.62 0.00 -1.02 1.01 0.34 -2.63 121.20 116.21 1x5r s ILE 73 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1x5r s ILE 73 Cb 0.03 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1x5r s ILE 73 CO 0.03 -0.02 0.00 -3.20 0.00 0.00 0.00 174.94 171.75 1x5r n ASN 74 N 5.03 -3.50 0.00 3.58 2.85 0.36 -1.66 115.26 121.92 1x5r n ASN 74 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1x5r n ASN 74 Cb 0.48 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.89 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 -1.47 0.96 3.42 8.20 0.00 -1.26 -4.81 105.19 110.24 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 4.08 0.06 -0.61 -1.09 -0.66 -5.04 121.20 115.93 1x5r s ILE 76 Ca 0.00 -0.25 -0.31 0.00 -2.23 0.00 0.00 60.65 57.86 1x5r s ILE 76 Cb 0.00 -2.89 -0.08 0.00 -1.58 0.00 0.00 42.46 37.91 1x5r s ILE 76 CO 0.00 0.37 1.59 0.00 -1.23 0.00 0.00 174.94 175.67 1x5r s ALA 77 N 1.46 3.66 0.40 9.38 0.00 -1.26 0.13 121.76 135.53 1x5r s ALA 77 Ca 0.05 1.14 0.18 0.00 0.00 0.00 0.00 51.96 53.33 1x5r s ALA 77 Cb -0.15 -3.67 1.02 0.00 0.00 0.00 0.00 23.12 20.32 1x5r s ALA 77 CO 0.02 -1.05 1.95 1.79 0.00 0.00 0.00 175.76 178.47 1x5r h THR 78 N 4.80 1.00 0.00 0.00 1.35 -0.49 -0.98 112.91 118.59 1x5r h THR 78 Ca -0.41 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1x5r h THR 78 Cb 1.20 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1x5r h THR 78 CO 0.92 0.23 0.00 -0.62 -0.25 0.00 0.00 175.52 175.80 1x5r n GLU 79 N -4.02 0.10 -1.37 4.72 1.02 -1.26 -1.95 120.64 117.88 1x5r n GLU 79 Ca -0.02 0.38 -0.27 0.00 -0.02 0.00 0.00 57.16 57.23 1x5r n GLU 79 Cb 0.31 -1.70 0.10 0.00 -0.02 0.00 0.00 31.44 30.13 1x5r n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5r n ASP 80 N -1.89 5.74 -3.62 1.62 9.92 -0.37 -4.37 116.55 123.58 1x5r n ASP 80 Ca 0.02 -3.75 -0.02 0.00 -0.53 0.00 0.00 54.79 50.51 1x5r n ASP 80 Cb 0.17 -0.79 -0.01 0.00 -0.64 0.00 0.00 41.12 39.85 1x5r n ASP 80 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1x5r s GLY 81 N -2.16 -0.36 0.48 0.44 0.00 -0.82 -4.95 107.32 99.95 1x5r s GLY 81 Ca 0.58 0.97 -0.05 0.00 0.00 0.00 0.00 44.72 46.22 1x5r s GLY 81 CO 0.02 0.27 0.78 -0.51 0.00 0.00 0.00 173.10 173.66 1x5r s THR 82 N -2.58 4.91 0.15 0.90 -4.23 -1.26 -1.37 115.64 112.15 1x5r s THR 82 Ca 0.11 0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.54 1x5r s THR 82 Cb 0.02 -3.87 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1x5r s THR 82 CO -0.04 -0.84 1.40 0.80 -0.54 0.00 0.00 174.62 175.39 1x5r n MET 83 N -2.25 -0.39 -0.15 3.99 1.56 -0.96 0.26 117.12 119.18 1x5r n MET 83 Ca 0.00 1.37 -0.05 0.00 -0.27 0.00 0.00 57.70 58.75 1x5r n MET 83 Cb 0.55 -2.01 0.01 0.00 2.15 0.00 0.00 33.22 33.92 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 -0.15 -1.00 2.12 4.22 -1.89 0.31 114.58 118.20 1x5r h GLU 84 Ca 0.15 0.01 0.29 0.00 0.08 0.00 0.00 59.36 59.89 1x5r h GLU 84 Cb 0.38 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 1x5r h GLU 84 CO -0.85 -0.10 0.57 0.93 -2.18 0.00 0.00 179.01 177.38 1x5r h GLU 85 N -0.15 0.42 -0.00 1.92 4.39 -0.49 1.02 114.58 121.68 1x5r h GLU 85 Ca 0.22 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1x5r h GLU 85 Cb 0.50 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1x5r h GLU 85 CO -0.57 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 177.55 1x5r h ALA 86 N 1.80 0.00 -0.48 3.43 0.00 0.68 0.83 119.26 125.52 1x5r h ALA 86 Ca 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1x5r h ALA 86 Cb 1.48 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1x5r h ALA 86 CO -0.55 -0.40 0.21 -0.91 0.00 0.00 0.00 179.25 177.60 1x5r h ASN 87 N -0.21 0.62 -0.14 0.00 2.35 0.66 -2.07 115.58 116.78 1x5r h ASN 87 Ca 0.00 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1x5r h ASN 87 Cb 0.21 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1x5r h ASN 87 CO -0.00 0.55 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.45 1x5r h GLN 88 N 0.68 0.43 -0.41 0.81 5.75 0.12 -2.46 115.11 120.03 1x5r h GLN 88 Ca 0.17 -0.27 0.12 0.00 -0.15 0.00 0.00 58.65 58.52 1x5r h GLN 88 Cb 0.11 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1x5r h GLN 88 CO -0.02 0.87 0.35 -0.07 -2.65 0.00 0.00 178.83 177.31 1x5r h LEU 89 N 0.04 0.00 -0.06 -2.39 3.38 0.12 0.54 115.31 116.94 1x5r h LEU 89 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1x5r h LEU 89 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1x5r h LEU 89 CO 0.06 0.00 -1.05 -0.07 0.09 0.00 0.00 178.44 177.46 1x5r h LEU 90 N 0.00 0.34 0.80 1.67 3.38 -1.16 -2.90 115.31 117.44 1x5r h LEU 90 Ca 0.20 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1x5r h LEU 90 Cb 0.89 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1x5r h LEU 90 CO -0.00 1.19 -0.39 -0.09 0.09 0.00 0.00 178.44 179.23 1x5r h ARG 91 N 0.10 -1.04 -0.90 1.13 2.43 0.53 0.37 114.38 116.99 1x5r h ARG 91 Ca -0.08 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.33 1x5r h ARG 91 Cb 1.74 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 31.43 1x5r h ARG 91 CO 0.17 -0.70 0.48 0.22 -1.51 0.00 0.00 179.97 178.63 1x5r h ASP 92 N -1.08 0.58 0.26 -3.80 1.82 -1.50 1.02 116.42 113.73 1x5r h ASP 92 Ca -0.11 0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1x5r h ASP 92 Cb 0.83 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 1x5r h ASP 92 CO 0.18 0.21 -0.22 0.00 -1.61 0.00 0.00 179.24 177.80 1x5r h ALA 93 N 1.61 1.55 -0.00 -0.78 0.00 -1.28 -1.07 119.26 119.28 1x5r h ALA 93 Ca 0.51 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1x5r h ALA 93 Cb 0.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1x5r h ALA 93 CO -0.39 0.28 -0.68 0.00 0.00 0.00 0.00 179.25 178.45 1x5r h ALA 94 N 1.78 0.87 0.00 0.00 0.00 0.53 -2.27 119.26 120.17 1x5r h ALA 94 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1x5r h ALA 94 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x5r h ALA 94 CO 0.03 0.85 0.00 1.28 0.00 0.00 0.00 179.25 181.41 1x5r n LEU 95 N -3.73 0.00 -0.01 0.00 4.77 0.08 -2.12 117.00 115.99 1x5r n LEU 95 Ca -0.01 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 1x5r n LEU 95 Cb 0.67 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1x5r n LEU 95 CO 0.43 -0.07 -0.57 0.00 -1.33 0.00 0.00 177.39 175.85 1x5r n ALA 96 N -1.34 3.21 -0.98 -1.18 0.00 -0.88 -4.96 120.51 114.39 1x5r n ALA 96 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1x5r n ALA 96 Cb 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.03 0.00 -3.70 0.00 8.25 -0.90 -4.96 115.22 111.88 1x5r n HIS 97 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1x5r n HIS 97 Cb 0.48 -0.55 -0.09 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.52 0.54 0.06 -0.41 2.36 -1.15 -3.52 119.74 117.09 1x5r s LYS 98 Ca 0.00 0.71 -0.13 0.00 -2.55 0.00 0.00 55.97 54.00 1x5r s LYS 98 Cb 0.00 0.22 0.02 0.00 -1.05 0.00 0.00 37.83 37.02 1x5r s LYS 98 CO 0.00 -0.09 0.29 0.54 1.55 0.00 0.00 175.35 177.65 1x5r s VAL 99 N 0.51 0.09 -0.15 4.02 0.11 -0.30 -4.67 120.40 120.00 1x5r s VAL 99 Ca -0.02 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1x5r s VAL 99 Cb -0.04 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1x5r s VAL 99 CO -0.02 -0.41 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.54 1x5r s VAL 100 N -2.85 3.23 -0.09 2.04 1.01 -1.26 -1.51 120.40 120.98 1x5r s VAL 100 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1x5r s VAL 100 Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1x5r s VAL 100 CO -0.05 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 1x5r s LEU 101 N 0.58 2.63 -0.25 3.92 2.01 -0.38 0.13 118.68 127.32 1x5r s LEU 101 Ca -0.06 -0.30 0.03 0.00 0.01 0.00 0.00 54.13 53.80 1x5r s LEU 101 Cb -0.15 -1.55 0.06 0.00 0.01 0.00 0.00 46.19 44.55 1x5r s LEU 101 CO 0.03 0.25 -0.12 -0.70 1.01 0.00 0.00 176.35 176.82 1x5r s GLU 102 N -0.16 2.30 0.02 1.70 2.12 -1.08 -1.47 118.70 122.13 1x5r s GLU 102 Ca -0.01 -1.30 0.01 0.00 0.36 0.00 0.00 54.97 54.03 1x5r s GLU 102 Cb -0.14 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1x5r s GLU 102 CO 0.03 -0.54 0.05 0.08 -0.54 0.00 0.00 175.26 174.35 1x5r s VAL 103 N 1.12 4.48 -0.13 3.70 1.01 -0.87 -0.39 120.40 129.32 1x5r s VAL 103 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1x5r s VAL 103 Cb -0.19 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1x5r s VAL 103 CO -0.06 0.30 -0.14 -0.70 0.00 0.00 0.00 175.10 174.51 1x5r s GLU 104 N -1.83 3.35 0.29 2.72 2.12 -1.26 -1.41 118.70 122.67 1x5r s GLU 104 Ca 0.23 -0.70 -0.15 0.00 0.36 0.00 0.00 54.97 54.71 1x5r s GLU 104 Cb -0.12 -2.62 0.01 0.00 0.26 0.00 0.00 34.13 31.66 1x5r s GLU 104 CO 0.14 0.18 0.60 -0.59 -0.54 0.00 0.00 175.26 175.05 1x5r s PHE 105 N 0.42 0.23 -1.11 5.30 -0.12 -1.15 -4.71 117.98 116.85 1x5r s PHE 105 Ca -0.10 -0.65 0.16 0.00 -0.05 0.00 0.00 56.93 56.28 1x5r s PHE 105 Cb -0.16 0.42 0.51 0.00 -0.63 0.00 0.00 43.02 43.16 1x5r s PHE 105 CO 0.05 -1.17 1.43 -0.25 -0.05 0.00 0.00 175.22 175.23 1x5r n ASP 106 N -0.66 3.72 -2.96 1.98 8.00 -1.26 -3.13 116.55 122.24 1x5r n ASP 106 Ca -0.03 -2.24 -0.09 0.00 0.71 0.00 0.00 54.79 53.15 1x5r n ASP 106 Cb 0.61 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1x5r n ASP 106 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1x5r n SER 107 N 0.78 -7.40 -4.18 -2.24 2.88 -1.26 -5.05 113.62 97.16 1x5r n SER 107 Ca 0.19 0.73 -0.14 0.00 -1.33 0.00 0.00 58.87 58.33 1x5r n SER 107 Cb 0.64 -4.20 -0.10 0.00 -0.75 0.00 0.00 64.21 59.80 1x5r n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5r s GLY 108 N -1.83 1.59 -1.24 0.46 0.00 -1.26 -5.06 107.32 99.97 1x5r s GLY 108 Ca 0.14 -1.76 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 1x5r s GLY 108 CO 0.67 -1.46 1.85 -1.55 0.00 0.00 0.00 173.10 172.60 1x5r n PRO 109 N -0.35 2.42 -1.50 2.90 -0.04 -1.26 -4.88 135.00 132.28 1x5r n PRO 109 Ca 0.02 -2.86 -0.41 0.00 -0.04 0.00 0.00 63.50 60.21 1x5r n PRO 109 Cb 0.66 -3.59 -0.15 0.00 -0.04 0.00 0.00 33.50 30.38 1x5r n PRO 109 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5r n SER 110 N 11.11 0.26 -2.56 3.54 3.41 -1.26 -1.51 113.62 126.61 1x5r n SER 110 Ca 0.47 0.17 -0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1x5r n SER 110 Cb 0.46 -0.91 0.01 0.00 -0.26 0.00 0.00 64.21 63.50 1x5r n SER 110 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5r n SER 111 N 10.41 -6.67 0.00 4.04 2.88 -1.26 -5.30 113.62 117.72 1x5r n SER 111 Ca 0.66 0.41 0.16 0.00 -1.33 0.00 0.00 58.87 58.77 1x5r n SER 111 Cb 0.03 -4.45 0.94 0.00 -0.75 0.00 0.00 64.21 59.98 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42