#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 -0.26 0.73 1.61 0.15 -1.26 -5.16 113.70 109.51 1x5r s SER 2 Ca 0.00 0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.69 1x5r s SER 2 Cb 0.00 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1x5r s SER 2 CO 0.00 -0.31 1.21 -0.55 1.20 0.00 0.00 173.24 174.79 1x5r s SER 3 N -1.55 4.17 0.11 5.45 0.15 -1.26 -5.03 113.70 115.75 1x5r s SER 3 Ca 0.04 2.38 0.09 0.00 0.70 0.00 0.00 55.95 59.15 1x5r s SER 3 Cb -0.01 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1x5r s SER 3 CO -0.03 -2.28 -0.20 -0.83 1.20 0.00 0.00 173.24 171.10 1x5r s GLY 4 N -1.99 1.64 -0.17 9.45 0.00 -1.26 -5.13 107.32 109.86 1x5r s GLY 4 Ca 0.75 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 1x5r s GLY 4 CO 0.45 -1.32 1.06 -1.35 0.00 0.00 0.00 173.10 171.95 1x5r s SER 5 N -1.98 -0.30 -0.30 1.64 1.04 -1.26 -5.17 113.70 107.37 1x5r s SER 5 Ca 0.16 0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.71 1x5r s SER 5 Cb -0.10 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.43 1x5r s SER 5 CO 0.08 -0.31 0.99 -0.94 0.98 0.00 0.00 173.24 174.04 1x5r s SER 6 N -1.31 -0.53 0.00 7.02 1.04 -1.26 -5.12 113.70 113.54 1x5r s SER 6 Ca 0.01 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1x5r s SER 6 Cb -0.01 1.44 0.00 0.00 0.10 0.00 0.00 66.02 67.55 1x5r s SER 6 CO -0.01 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x5r n GLY 7 N 4.35 0.65 0.00 7.32 0.00 -1.26 -5.19 105.19 111.06 1x5r n GLY 7 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 4.33 -1.88 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.22 1x5r n GLY 8 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.32 -2.50 2.46 -0.02 0.00 -1.26 -5.01 105.19 98.53 1x5r n GLY 9 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1x5r n GLY 9 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5r s GLN 10 N 0.00 0.94 0.46 1.61 -0.21 -1.26 -5.07 119.66 116.13 1x5r s GLN 10 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 53.37 1x5r s GLN 10 Cb 0.00 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.45 1x5r s GLN 10 CO 0.00 -1.33 0.00 -0.89 -2.12 0.00 0.00 175.29 170.95 1x5r n ILE 11 N 3.09 -4.81 -4.89 1.08 2.08 -1.26 -5.00 119.36 109.65 1x5r n ILE 11 Ca 0.24 2.12 -0.26 0.00 0.56 0.00 0.00 62.75 65.41 1x5r n ILE 11 Cb 0.44 -2.92 -0.16 0.00 -0.75 0.00 0.00 39.64 36.25 1x5r n ILE 11 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1x5r s VAL 12 N -3.22 1.50 0.01 1.39 0.11 -1.26 -5.06 120.40 113.88 1x5r s VAL 12 Ca 0.00 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.09 1x5r s VAL 12 Cb 0.00 -1.28 -0.10 0.00 -1.53 0.00 0.00 36.38 33.47 1x5r s VAL 12 CO 0.00 0.43 0.96 1.12 -3.33 0.00 0.00 175.10 174.28 1x5r h HIS 13 N 6.10 -0.63 -3.31 1.54 2.07 -2.01 -3.46 115.15 115.45 1x5r h HIS 13 Ca -0.34 -0.01 -0.44 0.00 -2.85 0.00 0.00 60.37 56.73 1x5r h HIS 13 Cb 1.17 0.21 -0.17 0.00 2.57 0.00 0.00 27.41 31.19 1x5r h HIS 13 CO 0.43 -0.39 -0.75 0.99 -3.07 0.00 0.00 177.93 175.13 1x5r s THR 14 N -3.97 1.53 0.26 6.12 2.01 -1.26 -4.99 115.64 115.35 1x5r s THR 14 Ca -0.10 -1.93 -0.12 0.00 0.31 0.00 0.00 61.69 59.85 1x5r s THR 14 Cb 0.01 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.66 1x5r s THR 14 CO 0.30 -0.48 0.62 -1.61 -0.69 0.00 0.00 174.62 172.76 1x5r s GLU 15 N -3.08 3.89 -0.03 4.92 8.01 0.12 -4.91 118.70 127.61 1x5r s GLU 15 Ca 0.15 0.44 0.02 0.00 0.01 0.00 0.00 54.97 55.60 1x5r s GLU 15 Cb -0.03 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 1x5r s GLU 15 CO 0.05 0.26 -0.09 0.95 0.01 0.00 0.00 175.26 176.43 1x5r s THR 16 N -1.87 0.83 0.04 3.63 -4.23 -1.26 -1.65 115.64 111.12 1x5r s THR 16 Ca 0.50 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.70 1x5r s THR 16 Cb -0.11 -0.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.97 1x5r s THR 16 CO 0.20 0.26 -0.20 0.28 -0.54 0.00 0.00 174.62 174.62 1x5r s THR 17 N 0.27 1.60 -0.32 3.99 -1.32 -1.17 -4.96 115.64 113.73 1x5r s THR 17 Ca -0.05 -1.14 -0.13 0.00 -1.21 0.00 0.00 61.69 59.17 1x5r s THR 17 Cb -0.10 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.48 1x5r s THR 17 CO 0.01 0.22 0.26 -0.70 -2.21 0.00 0.00 174.62 172.20 1x5r s GLU 18 N -1.09 3.66 -0.37 7.08 2.12 -1.26 -2.29 118.70 126.55 1x5r s GLU 18 Ca 0.07 -0.47 -0.08 0.00 0.36 0.00 0.00 54.97 54.85 1x5r s GLU 18 Cb -0.09 -3.76 0.05 0.00 0.26 0.00 0.00 34.13 30.59 1x5r s GLU 18 CO 0.01 -0.39 0.18 0.08 -0.54 0.00 0.00 175.26 174.61 1x5r s VAL 19 N 1.82 4.12 -0.56 3.70 1.01 0.98 -4.90 120.40 126.57 1x5r s VAL 19 Ca 0.08 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 1x5r s VAL 19 Cb -0.17 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1x5r s VAL 19 CO 0.11 -0.30 0.76 -0.69 0.00 0.00 0.00 175.10 174.98 1x5r s VAL 20 N 1.45 4.68 0.13 2.92 1.01 -1.26 -0.50 120.40 128.83 1x5r s VAL 20 Ca 0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1x5r s VAL 20 Cb -0.20 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 1x5r s VAL 20 CO 0.04 -1.06 0.40 -0.76 0.00 0.00 0.00 175.10 173.71 1x5r s LEU 21 N 3.12 4.28 -0.19 3.92 1.43 -0.63 -4.91 118.68 125.70 1x5r s LEU 21 Ca 0.18 0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1x5r s LEU 21 Cb -0.19 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 42.83 1x5r s LEU 21 CO 0.11 0.07 0.02 0.00 0.23 0.00 0.00 176.35 176.78 1x5r n GLY 23 N 4.99 3.15 3.95 0.00 0.00 -1.22 -4.80 105.19 111.26 1x5r n GLY 23 Ca -0.09 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.51 5.58 0.49 1.61 1.01 -0.27 -4.10 116.67 117.49 1x5r s ASP 24 Ca 0.25 0.24 0.28 0.00 0.71 0.00 0.00 52.55 54.04 1x5r s ASP 24 Cb 0.01 -1.32 0.87 0.00 1.01 0.00 0.00 42.92 43.49 1x5r s ASP 24 CO 0.18 -0.92 1.80 1.55 0.21 0.00 0.00 175.17 177.99 1x5r h PRO 25 N 0.19 0.00 0.00 8.23 0.13 -1.86 0.16 132.00 138.85 1x5r h PRO 25 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.48 1x5r h PRO 25 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1x5r h PRO 25 CO 0.56 0.00 -1.59 1.28 -0.23 0.00 0.00 178.00 178.02 1x5r n LEU 26 N -3.08 1.65 0.05 1.56 4.77 -1.26 -4.44 117.00 116.25 1x5r n LEU 26 Ca 0.02 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1x5r n LEU 26 Cb 0.41 -0.65 0.37 0.00 -2.33 0.00 0.00 43.42 41.22 1x5r n LEU 26 CO 0.30 0.09 0.77 -0.24 -1.33 0.00 0.00 177.39 176.98 1x5r n SER 27 N -4.11 0.25 0.00 -1.43 2.88 -1.25 -4.95 113.62 105.01 1x5r n SER 27 Ca -0.29 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1x5r n SER 27 Cb 0.63 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.07 2.01 0.00 0.46 0.00 0.57 -4.65 105.19 103.50 1x5r n GLY 28 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 7.62 0.00 0.00 1.61 3.72 -1.26 -1.11 117.46 128.04 1x5r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x5r n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N 3.08 -0.45 3.64 1.37 0.00 -1.26 -3.98 105.19 107.58 1x5r n GLY 30 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 0.21 0.99 0.05 -1.26 -2.64 118.68 115.53 1x5r s LEU 31 Ca 0.00 0.94 0.06 0.00 0.05 0.00 0.00 54.13 55.18 1x5r s LEU 31 Cb 0.00 1.94 -0.04 0.00 -2.05 0.00 0.00 46.19 46.04 1x5r s LEU 31 CO 0.00 -0.16 0.19 -1.10 -0.55 0.00 0.00 176.35 174.73 1x5r s GLN 32 N 0.44 2.98 0.01 1.48 -1.52 0.28 -4.96 119.66 118.37 1x5r s GLN 32 Ca 0.01 -0.93 0.08 0.00 -1.95 0.00 0.00 55.36 52.57 1x5r s GLN 32 Cb -0.05 -2.64 -0.02 0.00 -0.22 0.00 0.00 33.01 30.08 1x5r s GLN 32 CO -0.07 0.44 -0.24 -0.51 -0.25 0.00 0.00 175.29 174.66 1x5r s LEU 33 N -3.51 2.11 -0.19 2.90 1.43 -1.26 -2.54 118.68 117.63 1x5r s LEU 33 Ca 0.32 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1x5r s LEU 33 Cb -0.09 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1x5r s LEU 33 CO 0.25 0.25 -0.19 -1.58 0.23 0.00 0.00 176.35 175.31 1x5r s GLN 34 N -0.90 2.95 0.00 1.70 -0.44 0.49 -4.56 119.66 118.91 1x5r s GLN 34 Ca 0.10 -0.86 0.00 0.00 -2.50 0.00 0.00 55.36 52.10 1x5r s GLN 34 Cb -0.09 -2.61 0.00 0.00 -1.64 0.00 0.00 33.01 28.67 1x5r s GLN 34 CO 0.01 -0.23 0.00 0.41 0.50 0.00 0.00 175.29 175.97 1x5r n GLY 35 N 4.61 3.92 3.27 2.59 0.00 -1.26 -0.92 105.19 117.39 1x5r n GLY 35 Ca -0.20 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1x5r n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 36 N 0.00 -2.59 0.07 -0.02 0.00 -1.26 -4.94 105.19 96.45 1x5r n GLY 36 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.71 1.73 -4.16 -0.61 5.03 -1.99 -3.46 117.51 112.34 1x5r h ILE 37 Ca -0.48 -2.34 -0.52 0.00 -0.12 0.00 0.00 64.86 61.40 1x5r h ILE 37 Cb 1.34 3.31 0.11 0.00 -3.03 0.00 0.00 36.82 38.55 1x5r h ILE 37 CO 0.34 0.59 0.40 -0.36 -0.68 0.00 0.00 178.15 178.44 1x5r s PHE 38 N -2.23 2.43 -0.10 1.37 0.40 -1.26 -4.96 117.98 113.63 1x5r s PHE 38 Ca -0.20 1.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.77 1x5r s PHE 38 Cb -0.02 -3.32 -0.24 0.00 0.51 0.00 0.00 43.02 39.95 1x5r s PHE 38 CO 0.68 -2.00 0.45 0.00 0.70 0.00 0.00 175.22 175.04 1x5r n ALA 39 N -2.22 1.35 -2.76 5.36 0.00 -1.26 -4.42 120.51 116.55 1x5r n ALA 39 Ca 0.12 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 1x5r n ALA 39 Cb 0.51 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.31 1x5r n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5r n THR 40 N -3.12 5.47 -3.66 0.00 -2.24 -1.26 -3.01 114.28 106.46 1x5r n THR 40 Ca -0.25 -5.70 -0.08 0.00 -2.27 0.00 0.00 64.05 55.76 1x5r n THR 40 Cb 1.06 -1.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.26 1x5r n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x5r s GLU 41 N -2.83 0.54 1.03 -0.78 0.41 -1.26 -5.06 118.70 110.75 1x5r s GLU 41 Ca 0.36 1.09 -0.18 0.00 -0.41 0.00 0.00 54.97 55.83 1x5r s GLU 41 Cb 0.10 0.21 0.01 0.00 -1.78 0.00 0.00 34.13 32.67 1x5r s GLU 41 CO 0.02 -0.17 -0.21 2.41 -0.49 0.00 0.00 175.26 176.81 1x5r n THR 42 N 4.58 0.00 -3.89 3.63 -1.04 -1.26 -2.96 114.28 113.34 1x5r n THR 42 Ca -0.19 -0.25 -0.35 0.00 -2.04 0.00 0.00 64.05 61.23 1x5r n THR 42 Cb 0.55 -0.44 -0.13 0.00 -1.82 0.00 0.00 70.33 68.49 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 4.09 0.41 -4.42 1.43 0.23 -4.70 118.68 117.10 1x5r s LEU 43 Ca 0.51 -1.39 0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1x5r s LEU 43 Cb -0.12 -1.72 0.68 0.00 0.03 0.00 0.00 46.19 45.06 1x5r s LEU 43 CO 0.69 -0.30 1.72 0.28 0.23 0.00 0.00 176.35 178.97 1x5r h SER 44 N 7.99 0.00 -4.38 2.29 0.02 -1.88 -3.37 113.55 114.22 1x5r h SER 44 Ca -0.20 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.46 1x5r h SER 44 Cb 1.06 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.45 1x5r h SER 44 CO 0.55 0.23 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.36 1x5r s SER 45 N -6.21 1.35 0.29 3.07 0.01 -1.26 -4.97 113.70 105.98 1x5r s SER 45 Ca 0.02 -1.14 -0.29 0.00 1.31 0.00 0.00 55.95 55.86 1x5r s SER 45 Cb 0.09 0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.31 1x5r s SER 45 CO 0.66 -0.52 1.07 -2.16 0.41 0.00 0.00 173.24 172.70 1x5r s PRO 46 N -3.88 4.59 0.35 12.44 0.04 -1.26 -4.64 135.00 142.64 1x5r s PRO 46 Ca 0.22 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 1x5r s PRO 46 Cb 0.05 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1x5r s PRO 46 CO 0.03 0.19 1.07 -1.25 0.04 0.00 0.00 177.00 177.07 1x5r s PRO 47 N -1.58 4.38 0.40 0.56 0.04 -1.24 -4.60 135.00 132.96 1x5r s PRO 47 Ca 0.46 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1x5r s PRO 47 Cb -0.30 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 1x5r s PRO 47 CO 0.38 0.02 0.59 -0.51 0.04 0.00 0.00 177.00 177.52 1x5r s LEU 48 N -2.11 3.80 -1.32 -3.56 2.01 -0.10 0.18 118.68 117.58 1x5r s LEU 48 Ca 0.52 0.16 -0.17 0.00 0.01 0.00 0.00 54.13 54.64 1x5r s LEU 48 Cb -0.26 -3.05 0.06 0.00 0.01 0.00 0.00 46.19 42.95 1x5r s LEU 48 CO 0.33 -0.57 1.82 0.52 1.01 0.00 0.00 176.35 179.47 1x5r n VAL 49 N -1.91 3.82 -0.37 -1.59 0.31 -1.26 0.19 118.33 117.52 1x5r n VAL 49 Ca -0.00 -3.88 -0.11 0.00 -0.01 0.00 0.00 64.34 60.34 1x5r n VAL 49 Cb 0.58 -2.39 -0.10 0.00 -0.91 0.00 0.00 33.84 31.02 1x5r n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5r s PHE 51 N -5.47 0.82 -0.01 0.00 5.36 -1.26 -4.88 117.98 112.55 1x5r s PHE 51 Ca -0.12 -1.18 0.02 0.00 -0.96 0.00 0.00 56.93 54.70 1x5r s PHE 51 Cb 0.10 -0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 42.36 1x5r s PHE 51 CO 0.61 -0.57 -0.08 0.42 -1.46 0.00 0.00 175.22 174.14 1x5r s ILE 52 N -4.05 0.66 0.19 3.12 1.01 -1.26 0.99 121.20 121.86 1x5r s ILE 52 Ca 0.25 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1x5r s ILE 52 Cb 0.07 -0.56 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 1x5r s ILE 52 CO 0.03 0.19 1.05 -1.61 0.00 0.00 0.00 174.94 174.60 1x5r s GLU 53 N -0.13 4.66 0.24 2.79 2.02 -1.08 -4.95 118.70 122.26 1x5r s GLU 53 Ca 0.02 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.37 1x5r s GLU 53 Cb -0.04 -3.28 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 1x5r s GLU 53 CO -0.00 0.19 1.09 -1.25 0.02 0.00 0.00 175.26 175.31 1x5r s PRO 54 N -0.59 4.64 -0.24 0.39 0.04 -1.26 -2.61 135.00 135.37 1x5r s PRO 54 Ca 0.47 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1x5r s PRO 54 Cb -0.28 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1x5r s PRO 54 CO 0.35 0.18 0.00 -0.25 0.04 0.00 0.00 177.00 177.32 1x5r n ASP 55 N 1.62 -5.07 -4.27 6.66 9.92 -1.26 -4.97 116.55 119.18 1x5r n ASP 55 Ca 0.00 0.06 -0.28 0.00 -0.53 0.00 0.00 54.79 54.04 1x5r n ASP 55 Cb 0.45 -2.76 0.17 0.00 -0.64 0.00 0.00 41.12 38.33 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1x5r s SER 56 N -2.13 3.45 -0.00 -2.24 1.04 -1.07 -4.91 113.70 107.84 1x5r s SER 56 Ca 0.00 -0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.20 1x5r s SER 56 Cb 0.00 -0.09 -0.22 0.00 0.10 0.00 0.00 66.02 65.81 1x5r s SER 56 CO 0.00 -2.49 1.12 1.55 0.98 0.00 0.00 173.24 174.40 1x5r h PRO 57 N -1.29 0.36 -0.68 4.02 0.13 -1.83 -1.27 132.00 131.44 1x5r h PRO 57 Ca -0.41 -0.35 0.11 0.00 -0.87 0.00 0.00 66.00 64.48 1x5r h PRO 57 Cb 1.24 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1x5r h PRO 57 CO 0.36 1.02 0.46 0.00 -0.23 0.00 0.00 178.00 179.61 1x5r h ALA 58 N 0.35 1.99 0.03 -0.56 0.00 -1.84 -0.98 119.26 118.25 1x5r h ALA 58 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1x5r h ALA 58 Cb 1.15 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1x5r h ALA 58 CO 0.09 -0.15 -0.73 1.49 0.00 0.00 0.00 179.25 179.95 1x5r h GLU 59 N 0.48 0.44 -0.66 0.00 4.57 -1.74 -3.17 114.58 114.50 1x5r h GLU 59 Ca 0.32 -0.51 0.19 0.00 -1.18 0.00 0.00 59.36 58.18 1x5r h GLU 59 Cb 0.61 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1x5r h GLU 59 CO -0.10 1.17 0.60 0.00 -1.18 0.00 0.00 179.01 179.50 1x5r h ARG 60 N -0.08 0.00 0.00 1.92 3.08 0.05 1.48 114.38 120.83 1x5r h ARG 60 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1x5r h ARG 60 Cb 1.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 1x5r h ARG 60 CO 0.14 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.89 1x5r n GLY 62 N -1.05 0.56 0.34 0.00 0.00 0.51 -4.14 105.19 101.40 1x5r n GLY 62 Ca -0.02 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -9.77 0.99 -0.00 -1.87 -3.39 115.31 101.27 1x5r h LEU 63 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 1x5r h LEU 63 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1x5r h LEU 63 CO 0.00 0.00 0.14 -0.22 -0.00 0.00 0.00 178.44 178.36 1x5r s LEU 64 N -5.91 4.50 0.28 0.17 2.96 -1.26 -5.04 118.68 114.38 1x5r s LEU 64 Ca -0.04 1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 55.22 1x5r s LEU 64 Cb 0.09 -3.37 0.07 0.00 0.50 0.00 0.00 46.19 43.48 1x5r s LEU 64 CO 0.30 0.15 0.92 0.00 -1.32 0.00 0.00 176.35 176.40 1x5r s GLN 65 N -1.44 1.75 0.21 1.98 -2.07 -1.26 -4.88 119.66 113.95 1x5r s GLN 65 Ca 0.38 -1.12 -0.30 0.00 -1.82 0.00 0.00 55.36 52.49 1x5r s GLN 65 Cb -0.20 0.49 -0.10 0.00 -1.09 0.00 0.00 33.01 32.11 1x5r s GLN 65 CO 0.24 -0.82 1.43 0.08 -1.32 0.00 0.00 175.29 174.90 1x5r s VAL 66 N -2.28 2.81 -0.11 3.63 1.01 -1.26 -3.09 120.40 121.12 1x5r s VAL 66 Ca 0.19 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1x5r s VAL 66 Cb -0.04 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1x5r s VAL 66 CO 0.08 0.09 0.10 0.61 0.00 0.00 0.00 175.10 175.98 1x5r n GLY 67 N 2.58 0.60 0.01 4.51 0.00 -1.24 -4.86 105.19 106.79 1x5r n GLY 67 Ca 0.08 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 0.67 -2.30 1.61 9.92 -1.18 -4.90 116.55 120.34 1x5r n ASP 68 Ca -0.01 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 1x5r n ASP 68 Cb 0.51 1.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.99 1x5r n ASP 68 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x5r n ARG 69 N -1.77 -5.34 -3.37 -1.24 3.00 -1.26 -3.43 116.66 103.25 1x5r n ARG 69 Ca 0.02 3.84 -0.40 0.00 -0.01 0.00 0.00 57.85 61.30 1x5r n ARG 69 Cb 0.40 -4.64 -0.09 0.00 0.00 0.00 0.00 32.46 28.14 1x5r n ARG 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1x5r s VAL 70 N -0.58 5.14 -0.13 1.55 1.01 0.13 -3.39 120.40 124.13 1x5r s VAL 70 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1x5r s VAL 70 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1x5r s VAL 70 CO 0.00 -0.02 0.18 -0.07 0.00 0.00 0.00 175.10 175.19 1x5r h LEU 71 N 8.76 0.00 -8.05 3.92 3.38 -1.48 -3.28 115.31 118.55 1x5r h LEU 71 Ca -0.30 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.23 1x5r h LEU 71 Cb 1.15 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 1x5r h LEU 71 CO 0.69 0.77 -0.63 -0.94 0.09 0.00 0.00 178.44 178.43 1x5r s SER 72 N -5.89 0.32 -0.23 -0.43 1.04 -1.25 -1.32 113.70 105.96 1x5r s SER 72 Ca -0.10 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1x5r s SER 72 Cb 0.00 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.37 1x5r s SER 72 CO 0.27 -0.50 -0.07 -0.63 0.98 0.00 0.00 173.24 173.30 1x5r s ILE 73 N -2.89 1.58 0.00 -1.02 1.01 0.25 -2.34 121.20 117.78 1x5r s ILE 73 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1x5r s ILE 73 Cb 0.01 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1x5r s ILE 73 CO -0.06 -0.03 0.00 -3.20 0.00 0.00 0.00 174.94 171.65 1x5r n ASN 74 N 4.67 -1.93 0.00 3.58 2.85 0.33 -2.11 115.26 122.65 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 0.45 -0.87 0.00 0.00 1.24 0.00 0.00 39.78 40.59 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 -2.06 0.89 3.63 8.20 0.00 -1.26 -4.79 105.19 109.80 1x5r n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 5.17 -0.04 -0.61 -1.09 -0.90 -4.99 121.20 116.74 1x5r s ILE 76 Ca 0.00 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 1x5r s ILE 76 Cb 0.00 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1x5r s ILE 76 CO 0.00 0.18 1.37 0.00 -1.23 0.00 0.00 174.94 175.26 1x5r s ALA 77 N 1.86 3.58 0.26 9.38 0.00 -1.26 0.85 121.76 136.42 1x5r s ALA 77 Ca 0.17 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1x5r s ALA 77 Cb -0.15 -3.60 0.34 0.00 0.00 0.00 0.00 23.12 19.70 1x5r s ALA 77 CO 0.09 -0.98 1.70 1.79 0.00 0.00 0.00 175.76 178.36 1x5r h THR 78 N 5.09 1.26 -0.01 0.00 1.35 -1.49 -2.25 112.91 116.86 1x5r h THR 78 Ca -0.36 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1x5r h THR 78 Cb 1.16 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1x5r h THR 78 CO 0.91 0.41 0.32 -0.33 -0.25 0.00 0.00 175.52 176.59 1x5r h GLU 79 N 0.53 0.00 -1.51 4.72 5.08 -1.73 0.18 114.58 121.85 1x5r h GLU 79 Ca 0.08 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.78 1x5r h GLU 79 Cb 0.67 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.56 1x5r h GLU 79 CO 0.05 0.00 0.10 -3.47 -1.00 0.00 0.00 179.01 174.69 1x5r n ASP 80 N -2.92 6.13 -3.63 1.42 -0.08 -0.85 -4.18 116.55 112.44 1x5r n ASP 80 Ca -0.02 -3.78 -0.02 0.00 -1.51 0.00 0.00 54.79 49.47 1x5r n ASP 80 Cb 0.37 -0.72 -0.00 0.00 2.34 0.00 0.00 41.12 43.10 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 -2.46 -0.17 0.25 0.27 0.00 0.64 -4.93 107.32 100.91 1x5r s GLY 81 Ca 0.52 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 1x5r s GLY 81 CO -0.21 0.85 0.47 -0.51 0.00 0.00 0.00 173.10 173.70 1x5r s THR 82 N -2.77 5.13 0.47 0.90 -4.23 -1.26 0.74 115.64 114.61 1x5r s THR 82 Ca 0.16 -0.22 0.35 0.00 -1.18 0.00 0.00 61.69 60.80 1x5r s THR 82 Cb -0.00 -3.75 0.55 0.00 1.34 0.00 0.00 72.50 70.64 1x5r s THR 82 CO 0.02 -0.27 1.61 -0.03 -0.54 0.00 0.00 174.62 175.41 1x5r h MET 83 N 1.75 0.04 -0.13 3.99 4.05 -1.62 1.34 114.93 124.35 1x5r h MET 83 Ca -0.48 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.83 1x5r h MET 83 Cb 1.19 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1x5r h MET 83 CO 0.67 0.03 -0.32 1.49 0.23 0.00 0.00 176.91 179.00 1x5r h GLU 84 N 0.04 0.45 -0.77 0.39 4.22 -1.85 -3.00 114.58 114.07 1x5r h GLU 84 Ca 0.85 -0.31 0.18 0.00 0.08 0.00 0.00 59.36 60.16 1x5r h GLU 84 Cb 2.89 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 32.05 1x5r h GLU 84 CO -0.33 0.92 0.08 0.93 -2.18 0.00 0.00 179.01 178.43 1x5r h GLU 85 N 0.04 0.15 0.56 1.92 5.08 0.15 1.50 114.58 123.98 1x5r h GLU 85 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1x5r h GLU 85 Cb 0.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1x5r h GLU 85 CO 0.07 0.10 -0.30 0.00 -1.00 0.00 0.00 179.01 177.88 1x5r h ALA 86 N 1.70 -0.80 -0.62 3.43 0.00 -1.45 0.81 119.26 122.32 1x5r h ALA 86 Ca 0.43 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1x5r h ALA 86 Cb 0.78 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1x5r h ALA 86 CO -0.63 -0.96 0.31 -0.91 0.00 0.00 0.00 179.25 177.06 1x5r h ASN 87 N -0.80 0.43 0.18 0.00 2.35 -0.89 -0.92 115.58 115.93 1x5r h ASN 87 Ca -0.07 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1x5r h ASN 87 Cb 0.63 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1x5r h ASN 87 CO 0.10 0.27 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.46 1x5r h GLN 88 N 0.57 -0.24 -0.60 0.81 5.75 0.24 -0.82 115.11 120.82 1x5r h GLN 88 Ca 0.29 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.93 1x5r h GLN 88 Cb 0.24 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 28.74 1x5r h GLN 88 CO -0.21 -0.16 -0.09 -0.07 -2.65 0.00 0.00 178.83 175.65 1x5r h LEU 89 N -0.25 -0.44 -1.11 -2.39 3.38 0.13 0.56 115.31 115.18 1x5r h LEU 89 Ca -0.02 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1x5r h LEU 89 Cb 0.19 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1x5r h LEU 89 CO 0.04 -0.17 0.60 -0.07 0.09 0.00 0.00 178.44 178.94 1x5r h LEU 90 N 0.04 0.97 0.12 1.67 3.38 -0.82 0.48 115.31 121.15 1x5r h LEU 90 Ca 0.30 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1x5r h LEU 90 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1x5r h LEU 90 CO -0.58 0.65 -0.18 -0.09 0.09 0.00 0.00 178.44 178.34 1x5r h ARG 91 N 1.12 -0.30 -1.00 1.13 2.43 0.16 0.39 114.38 118.30 1x5r h ARG 91 Ca 0.38 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.60 1x5r h ARG 91 Cb 0.08 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1x5r h ARG 91 CO -0.13 -0.20 0.66 0.22 -1.51 0.00 0.00 179.97 179.01 1x5r h ASP 92 N -0.31 1.10 -0.93 -3.80 3.58 -1.12 -0.79 116.42 114.14 1x5r h ASP 92 Ca -0.01 -0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.58 1x5r h ASP 92 Cb 0.28 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 40.98 1x5r h ASP 92 CO -0.05 0.76 0.54 0.00 -2.88 0.00 0.00 179.24 177.60 1x5r h ALA 93 N 1.40 1.45 -0.71 -0.78 0.00 0.39 0.24 119.26 121.26 1x5r h ALA 93 Ca 0.39 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1x5r h ALA 93 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1x5r h ALA 93 CO -0.12 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.37 1x5r h ALA 94 N 1.58 0.92 0.00 0.00 0.00 0.12 -0.50 119.26 121.39 1x5r h ALA 94 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x5r h ALA 94 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x5r h ALA 94 CO -0.34 0.59 0.05 -0.07 0.00 0.00 0.00 179.25 179.49 1x5r h LEU 95 N 1.03 0.00 0.00 0.00 3.38 -0.07 0.97 115.31 120.62 1x5r h LEU 95 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x5r h LEU 95 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1x5r h LEU 95 CO -0.01 0.00 -0.97 0.00 0.09 0.00 0.00 178.44 177.56 1x5r n ALA 96 N -1.86 3.09 -0.94 1.53 0.00 -0.22 -4.90 120.51 117.20 1x5r n ALA 96 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1x5r n ALA 96 Cb 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.14 0.00 -3.71 0.00 8.25 0.33 -4.93 115.22 113.03 1x5r n HIS 97 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1x5r n HIS 97 Cb 0.46 -1.04 -0.09 0.00 1.12 0.00 0.00 29.99 30.44 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 -0.98 0.58 -0.08 -0.41 2.36 -1.22 -3.43 119.74 116.56 1x5r s LYS 98 Ca 0.00 0.65 -0.19 0.00 -2.55 0.00 0.00 55.97 53.88 1x5r s LYS 98 Cb 0.00 0.28 0.04 0.00 -1.05 0.00 0.00 37.83 37.10 1x5r s LYS 98 CO 0.00 -0.07 0.45 0.54 1.55 0.00 0.00 175.35 177.82 1x5r s VAL 99 N 0.20 0.02 -0.29 4.02 0.11 -0.78 -4.69 120.40 118.99 1x5r s VAL 99 Ca -0.00 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1x5r s VAL 99 Cb -0.03 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1x5r s VAL 99 CO 0.01 -0.10 0.10 -0.69 -3.33 0.00 0.00 175.10 171.08 1x5r s VAL 100 N -0.70 4.24 -0.17 2.04 1.01 -1.26 -1.60 120.40 123.96 1x5r s VAL 100 Ca -0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1x5r s VAL 100 Cb -0.03 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1x5r s VAL 100 CO 0.04 0.13 0.06 -0.76 0.00 0.00 0.00 175.10 174.57 1x5r s LEU 101 N 1.56 3.83 -0.31 3.92 2.01 0.35 0.12 118.68 130.16 1x5r s LEU 101 Ca 0.04 0.11 -0.05 0.00 0.01 0.00 0.00 54.13 54.24 1x5r s LEU 101 Cb -0.17 -1.96 0.04 0.00 0.01 0.00 0.00 46.19 44.11 1x5r s LEU 101 CO 0.04 0.21 0.06 -0.70 1.01 0.00 0.00 176.35 176.97 1x5r s GLU 102 N 0.17 2.66 0.31 1.70 2.12 -0.99 -0.01 118.70 124.67 1x5r s GLU 102 Ca 0.05 -1.13 0.03 0.00 0.36 0.00 0.00 54.97 54.27 1x5r s GLU 102 Cb -0.12 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1x5r s GLU 102 CO 0.01 -0.60 0.48 0.08 -0.54 0.00 0.00 175.26 174.69 1x5r s VAL 103 N 1.37 4.99 -0.14 3.70 1.01 -0.97 -1.22 120.40 129.14 1x5r s VAL 103 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1x5r s VAL 103 Cb -0.19 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x5r s VAL 103 CO 0.01 -0.42 -0.00 -0.70 0.00 0.00 0.00 175.10 173.99 1x5r s GLU 104 N -4.20 0.86 0.33 2.72 2.12 -1.22 -3.04 118.70 116.26 1x5r s GLU 104 Ca 0.39 -0.25 -0.13 0.00 0.36 0.00 0.00 54.97 55.33 1x5r s GLU 104 Cb -0.09 -1.68 0.02 0.00 0.26 0.00 0.00 34.13 32.64 1x5r s GLU 104 CO 0.33 -0.46 0.65 -0.59 -0.54 0.00 0.00 175.26 174.65 1x5r s PHE 105 N 1.84 0.31 -0.71 5.30 -0.12 -0.66 -4.76 117.98 119.17 1x5r s PHE 105 Ca 0.02 -0.78 -0.09 0.00 -0.05 0.00 0.00 56.93 56.03 1x5r s PHE 105 Cb -0.15 0.49 0.19 0.00 -0.63 0.00 0.00 43.02 42.91 1x5r s PHE 105 CO -0.07 -1.30 0.59 -0.51 -0.05 0.00 0.00 175.22 173.88 1x5r s ASP 106 N -3.06 5.99 -0.91 1.98 1.01 -1.26 0.13 116.67 120.55 1x5r s ASP 106 Ca 0.19 -2.71 -0.23 0.00 0.71 0.00 0.00 52.55 50.51 1x5r s ASP 106 Cb -0.03 -2.03 -0.23 0.00 1.01 0.00 0.00 42.92 41.63 1x5r s ASP 106 CO 0.12 -0.49 2.46 -0.24 0.21 0.00 0.00 175.17 177.24 1x5r n SER 107 N 3.81 0.16 0.00 0.27 2.88 -1.26 -4.60 113.62 114.89 1x5r n SER 107 Ca 0.09 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1x5r n SER 107 Cb 0.42 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 108 N 6.15 1.21 3.80 0.46 0.00 -1.26 -5.11 105.19 110.44 1x5r n GLY 108 Ca 0.61 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.92 1.85 -0.29 1.61 0.04 -1.26 -5.08 135.00 129.94 1x5r s PRO 109 Ca 0.00 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 1x5r s PRO 109 Cb 0.00 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1x5r s PRO 109 CO 0.00 -1.76 1.01 -1.54 0.04 0.00 0.00 177.00 174.75 1x5r s SER 110 N -3.94 -0.46 -0.29 6.66 1.04 -1.26 -5.05 113.70 110.40 1x5r s SER 110 Ca 0.62 0.74 -0.12 0.00 0.48 0.00 0.00 55.95 57.67 1x5r s SER 110 Cb -0.14 1.16 0.02 0.00 0.10 0.00 0.00 66.02 67.15 1x5r s SER 110 CO 0.54 -0.12 0.27 -0.24 0.98 0.00 0.00 173.24 174.67 1x5r n SER 111 N 3.53 -7.16 -0.52 7.02 2.88 -1.26 -5.28 113.62 112.83 1x5r n SER 111 Ca -0.18 0.65 0.14 0.00 -1.33 0.00 0.00 58.87 58.15 1x5r n SER 111 Cb 0.57 -3.69 0.49 0.00 -0.75 0.00 0.00 64.21 60.83 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42