#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 -0.47 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.18 1x5r s SER 2 Ca 0.00 0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 1x5r s SER 2 Cb 0.00 0.40 0.18 0.00 0.10 0.00 0.00 66.02 66.71 1x5r s SER 2 CO 0.00 -0.50 1.01 -0.55 0.98 0.00 0.00 173.24 174.18 1x5r s SER 3 N -1.43 -0.54 -0.00 7.02 0.15 -1.26 -5.16 113.70 112.47 1x5r s SER 3 Ca -0.03 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x5r s SER 3 Cb -0.00 1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 1x5r s SER 3 CO 0.02 -0.10 0.06 -0.83 1.20 0.00 0.00 173.24 173.59 1x5r s GLY 4 N 2.94 1.98 0.20 9.45 0.00 -1.26 -5.09 107.32 115.55 1x5r s GLY 4 Ca 0.10 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 1x5r s GLY 4 CO -0.16 -0.77 1.07 -0.45 0.00 0.00 0.00 173.10 172.79 1x5r s SER 5 N -1.72 7.32 0.17 1.64 0.15 -1.26 -5.05 113.70 114.96 1x5r s SER 5 Ca 0.22 2.09 0.08 0.00 0.70 0.00 0.00 55.95 59.05 1x5r s SER 5 Cb -0.12 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1x5r s SER 5 CO 0.13 -0.15 -0.17 -0.55 1.20 0.00 0.00 173.24 173.70 1x5r s SER 6 N -0.38 2.56 0.16 5.45 0.15 -1.26 -5.15 113.70 115.22 1x5r s SER 6 Ca 0.47 -0.89 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1x5r s SER 6 Cb -0.29 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1x5r s SER 6 CO 0.36 -0.08 0.11 -0.83 1.20 0.00 0.00 173.24 174.00 1x5r s GLY 7 N -2.77 1.73 0.00 9.45 0.00 -1.26 -5.12 107.32 109.34 1x5r s GLY 7 Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1x5r s GLY 7 CO 0.06 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.53 1x5r n GLY 8 N -0.28 0.71 0.00 0.20 0.00 -1.26 -5.14 105.19 99.42 1x5r n GLY 8 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 5.00 3.66 3.62 -0.02 0.00 -1.26 -5.17 105.19 111.03 1x5r n GLY 9 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1x5r n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5r s GLN 10 N -4.28 1.51 0.30 1.61 -0.44 -1.26 -5.15 119.66 111.95 1x5r s GLN 10 Ca 0.00 -0.71 -0.28 0.00 -2.50 0.00 0.00 55.36 51.87 1x5r s GLN 10 Cb 0.00 0.60 -0.09 0.00 -1.64 0.00 0.00 33.01 31.87 1x5r s GLN 10 CO 0.00 -0.68 1.07 0.42 0.50 0.00 0.00 175.29 176.60 1x5r s ILE 11 N -3.82 3.62 0.02 -2.34 1.09 -1.26 -5.05 121.20 113.46 1x5r s ILE 11 Ca 0.06 1.54 0.03 0.00 -1.10 0.00 0.00 60.65 61.18 1x5r s ILE 11 Cb -0.03 -3.94 -0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1x5r s ILE 11 CO -0.04 0.30 -0.09 0.54 -0.10 0.00 0.00 174.94 175.55 1x5r s VAL 12 N -1.28 0.70 -0.22 2.92 0.11 -1.26 -5.13 120.40 116.24 1x5r s VAL 12 Ca 0.47 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1x5r s VAL 12 Cb -0.29 -0.64 0.12 0.00 -1.53 0.00 0.00 36.38 34.03 1x5r s VAL 12 CO 0.37 -0.01 0.33 -2.28 -3.33 0.00 0.00 175.10 170.17 1x5r s HIS 13 N -0.63 -0.63 0.43 1.54 2.46 -1.26 -5.12 115.29 112.07 1x5r s HIS 13 Ca -0.01 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1x5r s HIS 13 Cb -0.06 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 1x5r s HIS 13 CO 0.00 -0.66 0.00 2.41 -2.47 0.00 0.00 174.74 174.03 1x5r n THR 14 N 5.35 0.00 -4.45 0.89 -1.04 -1.26 -4.96 114.28 108.81 1x5r n THR 14 Ca -0.04 0.41 -0.24 0.00 -2.04 0.00 0.00 64.05 62.13 1x5r n THR 14 Cb 0.50 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 68.07 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 -3.06 1.71 0.00 -2.82 2.02 0.23 -5.00 118.70 111.79 1x5r s GLU 15 Ca 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 54.97 53.30 1x5r s GLU 15 Cb 0.00 -1.80 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 1x5r s GLU 15 CO 0.00 0.34 -0.12 0.95 0.02 0.00 0.00 175.26 176.45 1x5r s THR 16 N -2.44 0.91 -0.03 3.63 -4.23 -1.26 -2.21 115.64 110.01 1x5r s THR 16 Ca 0.29 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1x5r s THR 16 Cb -0.05 -0.79 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 1x5r s THR 16 CO 0.15 0.18 -0.18 0.28 -0.54 0.00 0.00 174.62 174.51 1x5r s THR 17 N -0.42 1.44 -0.27 3.99 -1.32 -0.71 -4.95 115.64 113.40 1x5r s THR 17 Ca 0.03 -0.74 -0.10 0.00 -1.21 0.00 0.00 61.69 59.67 1x5r s THR 17 Cb -0.05 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 1x5r s THR 17 CO -0.00 0.41 0.17 -0.70 -2.21 0.00 0.00 174.62 172.29 1x5r s GLU 18 N -0.12 3.93 -0.19 7.08 2.12 -1.26 -1.63 118.70 128.65 1x5r s GLU 18 Ca -0.00 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1x5r s GLU 18 Cb -0.10 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1x5r s GLU 18 CO 0.01 -0.13 -0.07 0.08 -0.54 0.00 0.00 175.26 174.61 1x5r s VAL 19 N 1.60 3.31 -0.20 3.70 1.01 0.80 -4.91 120.40 125.71 1x5r s VAL 19 Ca 0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1x5r s VAL 19 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1x5r s VAL 19 CO 0.09 0.46 -0.00 -0.69 0.00 0.00 0.00 175.10 174.96 1x5r s VAL 20 N 1.01 3.88 0.20 2.92 1.01 -1.26 0.72 120.40 128.89 1x5r s VAL 20 Ca -0.00 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1x5r s VAL 20 Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1x5r s VAL 20 CO -0.00 0.43 -0.10 -0.76 0.00 0.00 0.00 175.10 174.67 1x5r s LEU 21 N 1.07 2.95 0.05 3.92 1.43 -0.87 -4.95 118.68 122.29 1x5r s LEU 21 Ca 0.02 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1x5r s LEU 21 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1x5r s LEU 21 CO 0.01 0.08 -0.08 0.00 0.23 0.00 0.00 176.35 176.59 1x5r n GLY 23 N 1.21 -1.63 3.96 0.00 0.00 -1.18 -4.55 105.19 102.98 1x5r n GLY 23 Ca -0.21 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.14 5.62 0.22 1.61 1.11 -1.12 -4.16 116.67 119.82 1x5r s ASP 24 Ca 0.00 0.22 0.25 0.00 0.18 0.00 0.00 52.55 53.20 1x5r s ASP 24 Cb 0.00 -1.32 0.90 0.00 1.07 0.00 0.00 42.92 43.57 1x5r s ASP 24 CO 0.00 -0.88 1.74 -0.81 1.18 0.00 0.00 175.17 176.41 1x5r n PRO 25 N -2.21 0.22 -0.10 8.23 -0.04 -1.25 0.62 135.00 140.47 1x5r n PRO 25 Ca 0.04 0.31 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 1x5r n PRO 25 Cb 0.58 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.22 1.90 0.25 1.53 4.77 -1.26 -4.34 117.00 117.62 1x5r n LEU 26 Ca 0.04 0.42 0.15 0.00 -0.03 0.00 0.00 56.01 56.60 1x5r n LEU 26 Cb 0.33 -0.84 0.54 0.00 -2.33 0.00 0.00 43.42 41.11 1x5r n LEU 26 CO 0.25 0.04 0.94 0.28 -1.33 0.00 0.00 177.39 177.56 1x5r h SER 27 N -1.00 0.00 0.00 -1.43 0.02 -1.97 -3.48 113.55 105.70 1x5r h SER 27 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1x5r h SER 27 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1x5r h SER 27 CO -0.16 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.14 1x5r n GLY 28 N 0.33 2.72 0.00 -3.77 0.00 0.20 -4.64 105.19 100.03 1x5r n GLY 28 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 8.07 0.00 0.00 1.61 3.72 -1.26 -2.79 117.46 126.81 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 1.29 -0.69 3.30 1.37 0.00 -1.26 -3.95 105.19 105.25 1x5r n GLY 30 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.50 -0.15 0.99 0.05 -1.26 -2.15 118.68 116.66 1x5r s LEU 31 Ca 0.00 0.41 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1x5r s LEU 31 Cb 0.00 1.50 0.02 0.00 -2.05 0.00 0.00 46.19 45.66 1x5r s LEU 31 CO 0.00 -0.38 -0.16 -1.10 -0.55 0.00 0.00 176.35 174.16 1x5r s GLN 32 N -0.84 2.46 0.71 1.48 -1.52 0.69 -4.96 119.66 117.69 1x5r s GLN 32 Ca -0.09 -0.63 -0.07 0.00 -1.95 0.00 0.00 55.36 52.62 1x5r s GLN 32 Cb -0.04 -2.19 0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1x5r s GLN 32 CO 0.04 -0.20 1.03 -0.51 -0.25 0.00 0.00 175.29 175.40 1x5r s LEU 33 N 1.36 2.80 -0.12 2.90 1.43 -1.26 0.19 118.68 125.98 1x5r s LEU 33 Ca 0.03 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1x5r s LEU 33 Cb -0.13 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 42.98 1x5r s LEU 33 CO -0.10 -1.61 0.23 -1.58 0.23 0.00 0.00 176.35 173.53 1x5r s GLN 34 N -5.28 0.12 0.00 1.70 -0.44 0.67 -4.27 119.66 112.17 1x5r s GLN 34 Ca 0.60 0.68 0.00 0.00 -2.50 0.00 0.00 55.36 54.14 1x5r s GLN 34 Cb -0.11 -0.10 0.00 0.00 -1.64 0.00 0.00 33.01 31.16 1x5r s GLN 34 CO 0.45 -0.28 0.00 0.41 0.50 0.00 0.00 175.29 176.37 1x5r n GLY 35 N 5.24 2.87 2.80 2.59 0.00 -1.26 -1.75 105.19 115.69 1x5r n GLY 35 Ca -0.08 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.01 0.37 -0.02 0.00 -1.26 -4.87 105.19 96.40 1x5r n GLY 36 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.14 0.21 -4.14 -0.61 2.04 -2.01 -3.44 117.51 109.43 1x5r h ILE 37 Ca -0.36 -0.23 -0.50 0.00 1.00 0.00 0.00 64.86 64.76 1x5r h ILE 37 Cb 1.25 0.27 0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1x5r h ILE 37 CO 0.34 0.02 0.40 -0.36 0.00 0.00 0.00 178.15 178.55 1x5r s PHE 38 N -5.21 2.68 -0.14 1.37 0.40 -1.26 -4.98 117.98 110.84 1x5r s PHE 38 Ca -0.16 1.55 -0.23 0.00 -0.60 0.00 0.00 56.93 57.49 1x5r s PHE 38 Cb 0.02 -3.21 -0.20 0.00 0.51 0.00 0.00 43.02 40.13 1x5r s PHE 38 CO 0.52 -1.57 0.58 0.00 0.70 0.00 0.00 175.22 175.45 1x5r h ALA 39 N 0.66 0.02 -0.98 5.36 0.00 -1.99 -3.41 119.26 118.92 1x5r h ALA 39 Ca -0.48 -0.46 -0.48 0.00 0.00 0.00 0.00 54.91 53.49 1x5r h ALA 39 Cb 1.25 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1x5r h ALA 39 CO 0.56 0.06 1.19 -0.08 0.00 0.00 0.00 179.25 180.98 1x5r s THR 40 N -2.11 3.72 0.00 0.00 -1.32 -1.26 -2.99 115.64 111.68 1x5r s THR 40 Ca -0.16 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1x5r s THR 40 Cb -0.02 -4.63 0.00 0.00 -1.51 0.00 0.00 72.50 66.34 1x5r s THR 40 CO 0.55 -1.54 0.00 -1.84 -2.21 0.00 0.00 174.62 169.58 1x5r n GLU 41 N 8.90 0.00 -1.44 7.08 -0.00 -1.26 -5.03 120.64 128.89 1x5r n GLU 41 Ca 0.34 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 57.12 1x5r n GLU 41 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.97 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1x5r n THR 42 N 0.00 1.93 -3.59 3.84 -1.04 -1.26 -2.90 114.28 111.26 1x5r n THR 42 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.12 1x5r n THR 42 Cb 0.00 -0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 67.82 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 1.38 4.32 0.45 -4.42 1.43 0.47 -4.81 118.68 117.50 1x5r s LEU 43 Ca 0.67 -0.47 0.25 0.00 -1.03 0.00 0.00 54.13 53.55 1x5r s LEU 43 Cb -0.46 -2.07 0.56 0.00 0.03 0.00 0.00 46.19 44.25 1x5r s LEU 43 CO 0.56 -0.21 1.69 0.28 0.23 0.00 0.00 176.35 178.90 1x5r h SER 44 N 8.42 0.00 -4.46 2.29 0.02 -1.87 -3.38 113.55 114.58 1x5r h SER 44 Ca -0.32 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.34 1x5r h SER 44 Cb 1.15 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1x5r h SER 44 CO 0.62 0.00 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.21 1x5r s SER 45 N -6.00 1.26 0.16 3.07 0.01 -1.26 -4.96 113.70 105.98 1x5r s SER 45 Ca 0.06 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.85 1x5r s SER 45 Cb 0.06 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.33 1x5r s SER 45 CO 0.64 -0.55 1.12 -2.16 0.41 0.00 0.00 173.24 172.70 1x5r s PRO 46 N -3.90 4.56 0.68 12.44 0.04 -1.26 -4.57 135.00 142.97 1x5r s PRO 46 Ca 0.24 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1x5r s PRO 46 Cb 0.06 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x5r s PRO 46 CO 0.04 0.00 1.06 -1.25 0.04 0.00 0.00 177.00 176.89 1x5r s PRO 47 N -0.14 3.01 0.44 0.56 0.04 -1.26 -4.66 135.00 132.99 1x5r s PRO 47 Ca 0.51 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1x5r s PRO 47 Cb -0.30 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1x5r s PRO 47 CO 0.34 -1.04 0.03 -0.51 0.04 0.00 0.00 177.00 175.85 1x5r s LEU 48 N -5.37 2.75 0.06 -3.56 1.43 -0.71 -0.05 118.68 113.23 1x5r s LEU 48 Ca 0.59 -1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.04 1x5r s LEU 48 Cb -0.14 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 1x5r s LEU 48 CO 0.52 -0.57 0.71 -0.69 0.23 0.00 0.00 176.35 176.55 1x5r s VAL 49 N -2.74 4.70 -0.20 -1.59 1.01 -0.60 0.24 120.40 121.22 1x5r s VAL 49 Ca 0.28 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.90 1x5r s VAL 49 Cb 0.07 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 32.19 1x5r s VAL 49 CO 0.15 0.43 -0.01 0.00 0.00 0.00 0.00 175.10 175.67 1x5r s PHE 51 N -2.47 -0.48 -0.08 0.00 5.36 -1.20 -4.73 117.98 114.38 1x5r s PHE 51 Ca -0.15 0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.17 1x5r s PHE 51 Cb 0.06 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.31 1x5r s PHE 51 CO 0.72 -0.73 -0.05 0.42 -1.46 0.00 0.00 175.22 174.13 1x5r s ILE 52 N -3.31 0.73 0.39 3.12 1.01 -1.26 -0.22 121.20 121.66 1x5r s ILE 52 Ca 0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1x5r s ILE 52 Cb -0.01 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 1x5r s ILE 52 CO -0.10 0.31 1.42 -0.62 0.00 0.00 0.00 174.94 175.94 1x5r n GLU 53 N 4.74 2.39 -2.51 2.79 1.02 -0.91 -4.92 120.64 123.24 1x5r n GLU 53 Ca -0.14 0.84 -0.39 0.00 -0.02 0.00 0.00 57.16 57.45 1x5r n GLU 53 Cb 0.50 -2.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.31 1x5r n GLU 53 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x5r s PRO 54 N -2.16 4.51 -0.69 3.49 0.04 -1.26 -2.71 135.00 136.21 1x5r s PRO 54 Ca 0.56 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1x5r s PRO 54 Cb -0.49 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1x5r s PRO 54 CO 0.61 0.12 0.00 -0.25 0.04 0.00 0.00 177.00 177.53 1x5r n ASP 55 N 0.82 -5.49 -4.37 6.66 8.00 -1.26 -4.95 116.55 115.95 1x5r n ASP 55 Ca 0.01 0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.40 1x5r n ASP 55 Cb 0.46 -3.56 0.15 0.00 -0.02 0.00 0.00 41.12 38.15 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 -2.29 3.65 0.10 -2.24 1.04 -1.10 -4.90 113.70 107.96 1x5r s SER 56 Ca 0.00 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1x5r s SER 56 Cb 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 66.02 65.95 1x5r s SER 56 CO 0.00 -2.35 1.25 1.55 0.98 0.00 0.00 173.24 174.68 1x5r h PRO 57 N -1.09 0.69 0.00 4.02 0.13 -1.80 -0.72 132.00 133.23 1x5r h PRO 57 Ca -0.39 -0.67 -0.05 0.00 -0.87 0.00 0.00 66.00 64.02 1x5r h PRO 57 Cb 1.24 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1x5r h PRO 57 CO 0.36 1.26 -0.26 0.00 -0.23 0.00 0.00 178.00 179.14 1x5r h ALA 58 N 0.52 1.52 0.22 -0.56 0.00 -1.84 -2.67 119.26 116.44 1x5r h ALA 58 Ca -0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 1x5r h ALA 58 Cb 1.57 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.35 1x5r h ALA 58 CO 0.18 0.32 -1.26 1.49 0.00 0.00 0.00 179.25 179.99 1x5r h GLU 59 N 0.00 0.46 -0.63 0.00 4.57 -1.71 -3.24 114.58 114.03 1x5r h GLU 59 Ca -0.00 -0.78 0.18 0.00 -1.18 0.00 0.00 59.36 57.58 1x5r h GLU 59 Cb 0.47 0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1x5r h GLU 59 CO 0.03 1.37 0.56 0.00 -1.18 0.00 0.00 179.01 179.79 1x5r h ARG 60 N -0.04 0.00 0.00 1.92 3.08 -0.79 1.39 114.38 119.95 1x5r h ARG 60 Ca -0.22 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1x5r h ARG 60 Cb 1.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.03 1x5r h ARG 60 CO 0.23 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.98 1x5r n GLY 62 N -0.97 0.89 0.28 0.00 0.00 0.48 -4.23 105.19 101.64 1x5r n GLY 62 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.45 -9.73 0.99 8.10 -1.88 -3.42 115.31 109.83 1x5r h LEU 63 Ca 0.00 -0.06 -0.52 0.00 0.11 0.00 0.00 57.88 57.40 1x5r h LEU 63 Cb 0.00 -0.12 0.05 0.00 -0.44 0.00 0.00 40.66 40.15 1x5r h LEU 63 CO 0.00 0.48 0.70 -0.22 -4.11 0.00 0.00 178.44 175.29 1x5r s LEU 64 N -9.14 4.40 -0.29 0.17 0.20 -1.26 -4.99 118.68 107.78 1x5r s LEU 64 Ca -0.07 2.55 -0.28 0.00 0.69 0.00 0.00 54.13 57.02 1x5r s LEU 64 Cb 0.16 -3.62 0.19 0.00 -0.43 0.00 0.00 46.19 42.49 1x5r s LEU 64 CO 0.75 -0.61 1.37 0.00 -0.29 0.00 0.00 176.35 177.58 1x5r s GLN 65 N -0.39 0.08 0.34 1.98 -2.07 -1.26 -4.79 119.66 113.56 1x5r s GLN 65 Ca 0.57 0.04 -0.17 0.00 -1.82 0.00 0.00 55.36 53.99 1x5r s GLN 65 Cb -0.39 0.04 -0.13 0.00 -1.09 0.00 0.00 33.01 31.44 1x5r s GLN 65 CO 0.42 -0.02 0.05 1.55 -1.32 0.00 0.00 175.29 175.97 1x5r n VAL 66 N 0.91 0.46 -0.54 3.63 3.14 -1.26 -2.61 118.33 122.06 1x5r n VAL 66 Ca -0.04 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1x5r n VAL 66 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1x5r n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x5r n GLY 67 N 1.91 0.71 3.30 7.55 0.00 0.88 -4.86 105.19 114.68 1x5r n GLY 67 Ca 0.09 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1x5r n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5r s ASP 68 N -2.20 4.16 0.92 1.61 1.01 -1.07 -4.85 116.67 116.24 1x5r s ASP 68 Ca 0.00 -0.40 -0.11 0.00 0.71 0.00 0.00 52.55 52.74 1x5r s ASP 68 Cb 0.00 -1.70 0.14 0.00 1.01 0.00 0.00 42.92 42.37 1x5r s ASP 68 CO 0.00 0.01 1.09 -0.13 0.21 0.00 0.00 175.17 176.35 1x5r s ARG 69 N 1.30 1.06 -0.42 8.23 0.52 -1.26 -1.55 118.95 126.83 1x5r s ARG 69 Ca 0.04 0.93 0.05 0.00 -0.52 0.00 0.00 55.73 56.22 1x5r s ARG 69 Cb -0.14 -1.78 0.18 0.00 0.52 0.00 0.00 34.95 33.73 1x5r s ARG 69 CO -0.03 -2.41 0.37 0.28 0.02 0.00 0.00 175.30 173.53 1x5r n VAL 70 N -4.01 -1.07 -0.09 3.52 0.31 0.93 -4.21 118.33 113.71 1x5r n VAL 70 Ca 0.07 -3.54 -0.02 0.00 -0.01 0.00 0.00 64.34 60.84 1x5r n VAL 70 Cb 0.55 -1.70 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 1x5r n VAL 70 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x5r n LEU 71 N 2.64 -0.23 -4.44 7.52 4.77 0.51 -4.37 117.00 123.39 1x5r n LEU 71 Ca 0.29 1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 57.18 1x5r n LEU 71 Cb 0.48 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1x5r n LEU 71 CO 0.10 -0.69 -0.28 -0.94 -1.33 0.00 0.00 177.39 174.25 1x5r s SER 72 N -3.57 2.35 -0.18 -1.43 1.04 -1.24 -1.23 113.70 109.44 1x5r s SER 72 Ca -0.03 -1.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 1x5r s SER 72 Cb 0.02 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.12 1x5r s SER 72 CO 0.14 -0.59 0.04 -0.63 0.98 0.00 0.00 173.24 173.18 1x5r s ILE 73 N -3.29 0.39 0.00 -1.02 1.01 0.42 -2.25 121.20 116.45 1x5r s ILE 73 Ca 0.36 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1x5r s ILE 73 Cb 0.08 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1x5r s ILE 73 CO 0.15 -0.20 0.00 -3.20 0.00 0.00 0.00 174.94 171.69 1x5r n ASN 74 N 5.10 -1.54 0.00 3.58 2.85 0.51 -2.10 115.26 123.66 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 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.69 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 -2.05 0.87 3.72 8.20 0.00 -1.26 -4.88 105.19 109.79 1x5r n GLY 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 5.39 -0.06 -0.61 -1.09 -0.89 -5.01 121.20 116.92 1x5r s ILE 76 Ca 0.00 0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.36 1x5r s ILE 76 Cb 0.00 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1x5r s ILE 76 CO 0.00 0.41 1.22 0.00 -1.23 0.00 0.00 174.94 175.34 1x5r s ALA 77 N 0.52 3.51 -0.17 9.38 0.00 -1.26 0.16 121.76 133.90 1x5r s ALA 77 Ca 0.09 0.62 0.29 0.00 0.00 0.00 0.00 51.96 52.96 1x5r s ALA 77 Cb -0.12 -3.53 0.92 0.00 0.00 0.00 0.00 23.12 20.39 1x5r s ALA 77 CO 0.00 -0.80 1.81 1.79 0.00 0.00 0.00 175.76 178.56 1x5r h THR 78 N 5.04 0.00 0.00 0.00 1.35 -1.40 -2.62 112.91 115.28 1x5r h THR 78 Ca -0.34 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1x5r h THR 78 Cb 1.16 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1x5r h THR 78 CO 0.89 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.83 1x5r h GLU 79 N 0.00 0.00 -0.66 4.72 5.08 -1.73 -2.94 114.58 119.05 1x5r h GLU 79 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1x5r h GLU 79 Cb 0.71 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.75 1x5r h GLU 79 CO 0.00 0.00 0.24 -3.47 -1.00 0.00 0.00 179.01 174.78 1x5r n ASP 80 N -2.48 3.31 -2.03 1.42 2.03 -0.99 -4.41 116.55 113.39 1x5r n ASP 80 Ca 0.04 -3.72 -0.06 0.00 0.52 0.00 0.00 54.79 51.57 1x5r n ASP 80 Cb 0.39 -0.73 0.01 0.00 -0.72 0.00 0.00 41.12 40.07 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 -1.11 1.77 3.96 0.27 0.00 -1.11 -4.97 105.19 103.99 1x5r n GLY 81 Ca 0.46 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.55 4.70 0.13 2.61 -4.23 -1.26 0.18 115.64 115.22 1x5r s THR 82 Ca 0.11 -1.04 -0.33 0.00 -1.18 0.00 0.00 61.69 59.25 1x5r s THR 82 Cb -0.02 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1x5r s THR 82 CO 0.08 -0.26 1.55 -0.03 -0.54 0.00 0.00 174.62 175.42 1x5r h MET 83 N 1.10 -0.39 -0.42 3.99 4.05 -1.44 -1.36 114.93 120.46 1x5r h MET 83 Ca -0.49 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.03 1x5r h MET 83 Cb 1.24 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 32.04 1x5r h MET 83 CO 0.58 -0.26 -0.39 1.49 0.23 0.00 0.00 176.91 178.56 1x5r h GLU 84 N -0.41 -0.28 -0.98 0.39 4.81 -1.86 -0.85 114.58 115.40 1x5r h GLU 84 Ca 0.07 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 1x5r h GLU 84 Cb 0.60 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.90 1x5r h GLU 84 CO -0.59 -0.19 -0.44 0.39 -0.73 0.00 0.00 179.01 177.46 1x5r n GLU 85 N -5.42 -0.28 -0.20 1.92 -0.58 -0.57 0.13 120.64 115.64 1x5r n GLU 85 Ca 0.00 1.50 -0.00 0.00 -0.42 0.00 0.00 57.16 58.24 1x5r n GLU 85 Cb 0.35 -2.23 0.08 0.00 -0.57 0.00 0.00 31.44 29.07 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 1.12 0.50 -0.74 0.62 0.00 -0.51 1.56 119.26 121.82 1x5r h ALA 86 Ca 0.29 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 1x5r h ALA 86 Cb 0.54 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x5r h ALA 86 CO -0.96 -0.41 0.24 -0.91 0.00 0.00 0.00 179.25 177.20 1x5r h ASN 87 N 0.06 1.07 -0.40 0.00 2.35 0.14 -2.49 115.58 116.31 1x5r h ASN 87 Ca 0.30 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1x5r h ASN 87 Cb 0.48 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1x5r h ASN 87 CO -0.56 0.99 0.10 -0.61 -1.65 0.00 0.00 177.43 175.71 1x5r h GLN 88 N 1.10 0.63 -1.00 0.81 5.75 0.50 -2.45 115.11 120.46 1x5r h GLN 88 Ca 0.24 -0.15 0.16 0.00 -0.15 0.00 0.00 58.65 58.75 1x5r h GLN 88 Cb 0.30 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.67 1x5r h GLN 88 CO -0.01 0.65 0.62 -0.07 -2.65 0.00 0.00 178.83 177.38 1x5r h LEU 89 N 0.50 0.82 -1.51 -2.39 3.38 0.23 0.86 115.31 117.20 1x5r h LEU 89 Ca 0.13 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1x5r h LEU 89 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1x5r h LEU 89 CO 0.00 0.36 -0.25 -0.07 0.09 0.00 0.00 178.44 178.57 1x5r h LEU 90 N 0.84 0.00 0.50 1.67 3.38 -1.02 -1.22 115.31 119.47 1x5r h LEU 90 Ca 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 1x5r h LEU 90 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x5r h LEU 90 CO -0.32 0.25 -0.24 -0.09 0.09 0.00 0.00 178.44 178.13 1x5r h ARG 91 N 0.00 -0.65 -0.70 1.13 2.43 0.11 -1.56 114.38 115.14 1x5r h ARG 91 Ca -0.00 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 1x5r h ARG 91 Cb 0.49 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1x5r h ARG 91 CO 0.03 -0.43 0.49 0.22 -1.51 0.00 0.00 179.97 178.77 1x5r h ASP 92 N -1.14 0.15 -0.44 -3.80 3.58 -1.11 0.32 116.42 113.97 1x5r h ASP 92 Ca -0.07 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 1x5r h ASP 92 Cb 0.51 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1x5r h ASP 92 CO 0.11 0.07 -0.05 0.00 -2.88 0.00 0.00 179.24 176.50 1x5r h ALA 93 N 1.66 0.59 -0.85 -0.78 0.00 -1.16 -2.75 119.26 115.98 1x5r h ALA 93 Ca 0.34 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1x5r h ALA 93 Cb 1.12 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1x5r h ALA 93 CO -0.05 0.43 0.52 0.00 0.00 0.00 0.00 179.25 180.15 1x5r h ALA 94 N 0.88 1.18 0.00 0.00 0.00 0.66 0.52 119.26 122.51 1x5r h ALA 94 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x5r h ALA 94 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x5r h ALA 94 CO 0.03 0.25 0.01 -0.07 0.00 0.00 0.00 179.25 179.47 1x5r h LEU 95 N 0.95 0.00 -0.46 0.00 3.38 -1.09 1.00 115.31 119.08 1x5r h LEU 95 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1x5r h LEU 95 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1x5r h LEU 95 CO -0.18 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 177.81 1x5r n ALA 96 N -1.85 3.69 -0.93 1.53 0.00 0.18 -4.92 120.51 118.22 1x5r n ALA 96 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1x5r n ALA 96 Cb 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.78 0.00 -3.68 0.00 8.25 0.35 -4.91 115.22 114.44 1x5r n HIS 97 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1x5r n HIS 97 Cb 0.38 -1.15 -0.04 0.00 1.12 0.00 0.00 29.99 30.30 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 -1.08 1.21 0.24 -0.41 2.20 -1.16 -3.13 119.74 117.62 1x5r s LYS 98 Ca 0.00 -0.79 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 1x5r s LYS 98 Cb 0.00 0.49 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1x5r s LYS 98 CO 0.00 -0.49 0.72 0.54 -0.36 0.00 0.00 175.35 175.76 1x5r s VAL 99 N -3.84 0.00 0.00 4.02 0.11 -0.30 -4.25 120.40 116.15 1x5r s VAL 99 Ca 0.06 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1x5r s VAL 99 Cb 0.01 -1.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.06 1x5r s VAL 99 CO -0.08 0.00 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.98 1x5r s VAL 100 N -3.82 0.20 0.07 2.04 1.01 -1.26 -2.04 120.40 116.60 1x5r s VAL 100 Ca 0.09 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1x5r s VAL 100 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1x5r s VAL 100 CO 0.03 -0.02 -0.14 -0.76 0.00 0.00 0.00 175.10 174.20 1x5r s LEU 101 N -0.27 2.26 -0.19 3.92 1.43 0.22 0.19 118.68 126.25 1x5r s LEU 101 Ca -0.01 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1x5r s LEU 101 Cb -0.02 -0.53 0.04 0.00 0.03 0.00 0.00 46.19 45.71 1x5r s LEU 101 CO -0.00 -0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 175.73 1x5r s GLU 102 N -1.67 1.84 0.04 1.70 2.12 -0.96 -0.14 118.70 121.64 1x5r s GLU 102 Ca -0.01 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.57 1x5r s GLU 102 Cb -0.10 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1x5r s GLU 102 CO 0.02 -0.44 0.11 0.08 -0.54 0.00 0.00 175.26 174.50 1x5r s VAL 103 N 1.47 4.82 -0.14 3.70 1.01 -0.64 0.19 120.40 130.79 1x5r s VAL 103 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1x5r s VAL 103 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1x5r s VAL 103 CO -0.08 0.21 -0.21 -0.70 0.00 0.00 0.00 175.10 174.32 1x5r s GLU 104 N -2.19 3.04 0.26 2.72 2.12 -1.26 -1.74 118.70 121.65 1x5r s GLU 104 Ca 0.28 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.72 1x5r s GLU 104 Cb -0.12 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.82 1x5r s GLU 104 CO 0.21 -0.03 0.44 1.97 -0.54 0.00 0.00 175.26 177.30 1x5r n PHE 105 N 4.11 -1.52 -0.20 5.30 1.16 -0.94 -4.76 117.46 120.61 1x5r n PHE 105 Ca -0.20 -1.46 0.02 0.00 -1.87 0.00 0.00 57.45 53.94 1x5r n PHE 105 Cb 0.51 0.50 0.04 0.00 -1.61 0.00 0.00 39.48 38.92 1x5r n PHE 105 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1x5r n ASP 106 N -1.58 2.13 -2.80 5.98 8.00 -1.26 -0.60 116.55 126.42 1x5r n ASP 106 Ca -0.03 -2.20 -0.05 0.00 0.71 0.00 0.00 54.79 53.23 1x5r n ASP 106 Cb 0.41 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.61 -7.97 -3.60 -2.24 2.88 -1.26 -4.96 113.62 95.86 1x5r n SER 107 Ca 0.04 0.96 -0.03 0.00 -1.33 0.00 0.00 58.87 58.51 1x5r n SER 107 Cb 0.33 -5.29 -0.02 0.00 -0.75 0.00 0.00 64.21 58.48 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 -2.11 -0.31 0.13 0.46 0.00 -1.26 -5.15 107.32 99.08 1x5r s GLY 108 Ca 0.13 1.43 -0.30 0.00 0.00 0.00 0.00 44.72 45.98 1x5r s GLY 108 CO 0.77 0.45 1.13 2.56 0.00 0.00 0.00 173.10 178.02 1x5r s PRO 109 N -2.40 4.53 0.23 2.90 0.04 -1.26 -5.04 135.00 134.00 1x5r s PRO 109 Ca 0.10 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1x5r s PRO 109 Cb 0.00 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1x5r s PRO 109 CO -0.04 -0.05 0.06 -1.54 0.04 0.00 0.00 177.00 175.46 1x5r s SER 110 N 0.34 1.28 0.09 6.66 1.04 -1.26 -5.17 113.70 116.68 1x5r s SER 110 Ca 0.53 -1.30 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 1x5r s SER 110 Cb -0.29 0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1x5r s SER 110 CO 0.33 -0.66 0.26 -0.44 0.98 0.00 0.00 173.24 173.72 1x5r s SER 111 N -3.27 -0.02 0.00 7.02 0.01 -1.26 -5.25 113.70 110.93 1x5r s SER 111 Ca 0.32 -0.47 0.24 0.00 1.31 0.00 0.00 55.95 57.36 1x5r s SER 111 Cb 0.07 0.37 1.45 0.00 0.21 0.00 0.00 66.02 68.12 1x5r s SER 111 CO 0.10 -0.73 1.81 0.61 0.41 0.00 0.00 173.24 175.44