#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s s SER 2 N 0.00 4.11 0.14 1.61 0.01 -1.26 -5.09 113.70 113.22 1x5s s SER 2 Ca 0.00 -1.50 -0.25 0.00 1.31 0.00 0.00 55.95 55.52 1x5s s SER 2 Cb 0.00 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 65.07 1x5s s SER 2 CO 0.00 -0.30 0.81 -0.44 0.41 0.00 0.00 173.24 173.72 1x5s s SER 3 N 1.32 -0.33 0.00 2.44 0.01 -1.26 -5.14 113.70 110.75 1x5s s SER 3 Ca 0.01 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1x5s s SER 3 Cb -0.19 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1x5s s SER 3 CO -0.10 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.21 1x5s n GLY 4 N -0.39 2.16 3.69 3.44 0.00 -1.26 -5.19 105.19 107.64 1x5s n GLY 4 Ca -0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5s s SER 5 N 0.00 0.24 -0.03 1.61 0.01 -1.26 -5.15 113.70 109.13 1x5s s SER 5 Ca 0.00 -1.17 -0.27 0.00 1.31 0.00 0.00 55.95 55.83 1x5s s SER 5 Cb 0.00 0.75 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 1x5s s SER 5 CO 0.00 -1.47 0.84 -0.55 0.41 0.00 0.00 173.24 172.47 1x5s s SER 6 N -3.10 7.18 -0.43 2.44 0.15 -1.26 -4.96 113.70 113.72 1x5s s SER 6 Ca 0.20 1.43 0.05 0.00 0.70 0.00 0.00 55.95 58.33 1x5s s SER 6 Cb -0.03 -2.49 0.31 0.00 -1.71 0.00 0.00 66.02 62.09 1x5s s SER 6 CO 0.13 -0.19 1.14 0.61 1.20 0.00 0.00 173.24 176.14 1x5s n GLY 7 N 3.00 0.00 2.93 9.45 0.00 -1.26 -5.15 105.19 114.16 1x5s n GLY 7 Ca 0.02 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1x5s n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x5s n MET 8 N 0.66 0.00 -4.20 1.61 0.00 -1.26 -4.99 117.12 108.94 1x5s n MET 8 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.61 1x5s n MET 8 Cb 0.70 -0.93 -0.10 0.00 0.00 0.00 0.00 33.22 32.89 1x5s n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x5s s ALA 9 N -1.85 1.16 -0.30 3.04 0.00 -1.26 -5.09 121.76 117.45 1x5s s ALA 9 Ca 0.48 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1x5s s ALA 9 Cb -0.36 0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1x5s s ALA 9 CO 0.66 -0.14 0.00 0.45 0.00 0.00 0.00 175.76 176.74 1x5s s SER 10 N -2.91 4.91 -1.16 0.00 0.15 -1.26 -5.04 113.70 108.39 1x5s s SER 10 Ca 0.11 -1.27 -0.20 0.00 0.70 0.00 0.00 55.95 55.29 1x5s s SER 10 Cb 0.02 -1.72 0.07 0.00 -1.71 0.00 0.00 66.02 62.69 1x5s s SER 10 CO -0.02 -0.26 1.56 1.51 1.20 0.00 0.00 173.24 177.23 1x5s s ASP 11 N 1.26 6.71 -0.02 5.45 -4.77 -1.26 -4.54 116.67 119.50 1x5s s ASP 11 Ca -0.05 -2.06 -0.01 0.00 -3.30 0.00 0.00 52.55 47.13 1x5s s ASP 11 Cb -0.20 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.07 1x5s s ASP 11 CO -0.01 -1.27 -0.03 -1.84 0.70 0.00 0.00 175.17 172.72 1x5s n GLU 12 N 8.29 0.05 0.00 2.11 0.28 -1.26 -5.03 120.64 125.08 1x5s n GLU 12 Ca 0.40 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1x5s n GLU 12 Cb 0.48 -0.69 0.00 0.00 1.43 0.00 0.00 31.44 32.66 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x5s n GLY 13 N 2.98 1.93 3.76 -1.84 0.00 -1.26 -4.65 105.19 106.12 1x5s n GLY 13 Ca -0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1x5s n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 14 N 0.00 4.50 0.23 1.61 2.36 -1.26 -3.36 119.74 123.82 1x5s s LYS 14 Ca 0.00 1.07 0.09 0.00 -2.55 0.00 0.00 55.97 54.58 1x5s s LYS 14 Cb 0.00 -3.31 -0.04 0.00 -1.05 0.00 0.00 37.83 33.43 1x5s s LYS 14 CO 0.00 0.44 0.01 -0.51 1.55 0.00 0.00 175.35 176.83 1x5s s LEU 15 N -0.60 3.26 -0.36 5.43 1.43 -1.20 -3.67 118.68 122.97 1x5s s LEU 15 Ca 0.36 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1x5s s LEU 15 Cb -0.21 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.23 1x5s s LEU 15 CO 0.24 0.03 0.15 0.12 0.23 0.00 0.00 176.35 177.12 1x5s s PHE 16 N -2.09 3.29 -0.16 0.29 5.36 -1.02 -3.77 117.98 119.89 1x5s s PHE 16 Ca 0.30 -1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 54.74 1x5s s PHE 16 Cb -0.08 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1x5s s PHE 16 CO 0.19 -0.77 -0.05 0.08 -1.46 0.00 0.00 175.22 173.22 1x5s s VAL 17 N 1.39 3.70 0.41 3.12 1.01 -0.91 -3.34 120.40 125.78 1x5s s VAL 17 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1x5s s VAL 17 Cb -0.20 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1x5s s VAL 17 CO 0.02 0.48 0.03 -0.83 0.00 0.00 0.00 175.10 174.80 1x5s s GLY 18 N 0.54 2.49 -0.74 4.51 0.00 -1.22 -0.12 107.32 112.78 1x5s s GLY 18 Ca -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1x5s s GLY 18 CO 0.03 -2.04 0.00 0.61 0.00 0.00 0.00 173.10 171.70 1x5s n GLY 19 N -0.94 0.90 3.71 0.20 0.00 -0.40 -3.54 105.19 105.12 1x5s n GLY 19 Ca -0.06 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1x5s n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5s n LEU 20 N -0.79 4.52 -4.31 0.99 4.77 -1.07 -4.51 117.00 116.59 1x5s n LEU 20 Ca -0.07 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 56.65 1x5s n LEU 20 Cb 0.27 -1.52 0.23 0.00 -2.33 0.00 0.00 43.42 40.07 1x5s n LEU 20 CO 0.11 -0.76 0.06 -0.24 -1.33 0.00 0.00 177.39 175.22 1x5s n SER 21 N -0.33 -2.55 0.05 -1.43 2.88 -1.26 -4.85 113.62 106.14 1x5s n SER 21 Ca 0.09 -0.31 0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1x5s n SER 21 Cb 0.42 -1.06 0.39 0.00 -0.75 0.00 0.00 64.21 63.21 1x5s n SER 21 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x5s n PHE 22 N -4.93 0.49 -0.47 0.66 3.72 -1.26 -3.38 117.46 112.29 1x5s n PHE 22 Ca 0.04 0.14 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 1x5s n PHE 22 Cb 0.56 -0.68 0.14 0.00 -0.94 0.00 0.00 39.48 38.57 1x5s n PHE 22 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1x5s n ASP 23 N -1.94 2.88 -4.70 4.37 9.92 -1.26 -4.79 116.55 121.04 1x5s n ASP 23 Ca 0.05 -2.41 -0.42 0.00 -0.53 0.00 0.00 54.79 51.48 1x5s n ASP 23 Cb 0.40 -0.29 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1x5s n ASP 23 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x5s s THR 24 N -1.73 3.39 0.16 -3.53 2.01 -1.22 -4.96 115.64 109.76 1x5s s THR 24 Ca 0.24 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.17 1x5s s THR 24 Cb 0.17 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1x5s s THR 24 CO 0.09 0.02 -0.14 0.20 -0.69 0.00 0.00 174.62 174.09 1x5s s ASN 25 N 1.81 2.22 0.35 3.53 0.01 -1.26 -4.93 114.94 116.67 1x5s s ASN 25 Ca 0.67 -0.93 0.14 0.00 -0.71 0.00 0.00 52.86 52.03 1x5s s ASN 25 Cb -0.35 -0.09 1.12 0.00 0.41 0.00 0.00 41.25 42.34 1x5s s ASN 25 CO 0.29 -0.18 1.59 -0.33 -1.51 0.00 0.00 177.10 176.96 1x5s h GLU 26 N 3.02 0.04 -0.22 -0.60 5.08 -1.95 0.73 114.58 120.68 1x5s h GLU 26 Ca -0.39 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1x5s h GLU 26 Cb 1.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1x5s h GLU 26 CO 0.57 0.03 -0.24 0.37 -1.00 0.00 0.00 179.01 178.74 1x5s h GLN 27 N 0.04 0.55 -0.85 2.33 5.75 -1.97 -0.73 115.11 120.23 1x5s h GLN 27 Ca 0.75 -0.30 0.12 0.00 -0.15 0.00 0.00 58.65 59.07 1x5s h GLN 27 Cb 1.84 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 30.34 1x5s h GLN 27 CO -0.80 0.89 0.55 1.03 -2.65 0.00 0.00 178.83 177.85 1x5s h SER 28 N 0.23 0.67 0.85 -0.69 0.87 0.03 0.37 113.55 115.88 1x5s h SER 28 Ca 0.03 0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 1x5s h SER 28 Cb 0.80 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1x5s h SER 28 CO 0.06 0.38 -1.19 -0.07 -0.53 0.00 0.00 176.83 175.48 1x5s h LEU 29 N 0.73 0.04 -0.61 2.23 3.38 -1.10 -3.15 115.31 116.83 1x5s h LEU 29 Ca 0.41 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 1x5s h LEU 29 Cb 0.56 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1x5s h LEU 29 CO -0.17 1.04 -0.69 -0.08 0.09 0.00 0.00 178.44 178.63 1x5s h GLU 30 N 0.01 0.02 0.00 1.13 4.81 0.28 -0.90 114.58 119.93 1x5s h GLU 30 Ca -0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1x5s h GLU 30 Cb 1.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 1x5s h GLU 30 CO 0.12 0.70 -0.26 -0.56 -0.73 0.00 0.00 179.01 178.29 1x5s h GLN 31 N 0.01 0.00 0.00 1.92 3.07 -0.40 -3.07 115.11 116.64 1x5s h GLN 31 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1x5s h GLN 31 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1x5s h GLN 31 CO 0.09 0.26 -0.30 0.28 0.09 0.00 0.00 178.83 179.25 1x5s n VAL 32 N -3.22 0.81 0.27 1.86 0.31 -1.14 -4.19 118.33 113.02 1x5s n VAL 32 Ca 0.02 0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.81 1x5s n VAL 32 Cb 0.58 -2.01 0.55 0.00 -0.91 0.00 0.00 33.84 32.04 1x5s n VAL 32 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1x5s h PHE 33 N -0.57 0.00 -0.33 3.52 -1.00 -1.33 0.57 116.94 117.80 1x5s h PHE 33 Ca 0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 1x5s h PHE 33 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1x5s h PHE 33 CO -0.13 0.00 -0.24 1.03 -1.61 0.00 0.00 178.31 177.36 1x5s h SER 34 N 0.00 0.66 0.55 2.17 0.87 -1.70 -1.26 113.55 114.85 1x5s h SER 34 Ca 0.06 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1x5s h SER 34 Cb 1.26 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x5s h SER 34 CO -0.00 0.89 0.00 2.29 -0.53 0.00 0.00 176.83 179.48 1x5s n LYS 35 N -4.11 0.14 -0.11 2.24 2.85 0.20 -2.89 118.16 116.47 1x5s n LYS 35 Ca -0.00 0.42 -0.21 0.00 -1.05 0.00 0.00 58.31 57.47 1x5s n LYS 35 Cb 0.43 -1.80 -0.12 0.00 -0.65 0.00 0.00 35.03 32.89 1x5s n LYS 35 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x5s n TYR 36 N -2.07 0.21 -1.22 5.58 4.02 -0.86 -5.10 117.16 117.72 1x5s n TYR 36 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1x5s n TYR 36 Cb 0.18 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 1x5s n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x5s n GLY 37 N 1.98 2.44 3.93 2.72 0.00 -0.53 -4.74 105.19 110.99 1x5s n GLY 37 Ca -0.45 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1x5s n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5s s GLN 38 N 2.37 3.53 0.07 1.61 1.11 -1.26 -4.22 119.66 122.87 1x5s s GLN 38 Ca 0.00 -0.32 0.04 0.00 0.01 0.00 0.00 55.36 55.10 1x5s s GLN 38 Cb 0.00 -2.79 -0.03 0.00 -1.01 0.00 0.00 33.01 29.18 1x5s s GLN 38 CO 0.00 0.34 -0.12 0.42 0.01 0.00 0.00 175.29 175.94 1x5s s ILE 39 N -1.97 0.95 -0.07 1.08 1.01 -1.26 -4.72 121.20 116.22 1x5s s ILE 39 Ca 0.39 -1.37 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1x5s s ILE 39 Cb -0.11 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1x5s s ILE 39 CO 0.30 -0.36 -0.08 -0.24 0.00 0.00 0.00 174.94 174.56 1x5s n SER 40 N 1.08 1.48 -3.60 3.58 2.88 0.26 -4.67 113.62 114.63 1x5s n SER 40 Ca -0.20 0.05 -0.08 0.00 -1.33 0.00 0.00 58.87 57.31 1x5s n SER 40 Cb 0.55 -0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x5s s GLU 41 N -2.14 1.26 0.05 -1.46 2.56 -0.62 -4.96 118.70 113.39 1x5s s GLU 41 Ca -0.10 -0.57 0.03 0.00 0.00 0.00 0.00 54.97 54.33 1x5s s GLU 41 Cb 0.03 0.51 -0.02 0.00 2.00 0.00 0.00 34.13 36.65 1x5s s GLU 41 CO 0.14 -0.56 -0.10 0.08 -0.56 0.00 0.00 175.26 174.26 1x5s s VAL 42 N -3.54 0.76 -0.12 3.70 1.01 -1.26 0.20 120.40 121.14 1x5s s VAL 42 Ca 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1x5s s VAL 42 Cb -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1x5s s VAL 42 CO -0.05 -0.25 0.07 -0.69 0.00 0.00 0.00 175.10 174.19 1x5s s VAL 43 N -1.17 -0.04 -0.43 2.92 1.01 0.25 -5.00 120.40 117.93 1x5s s VAL 43 Ca -0.05 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1x5s s VAL 43 Cb -0.09 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1x5s s VAL 43 CO 0.01 -0.10 0.29 -0.69 0.00 0.00 0.00 175.10 174.61 1x5s s VAL 44 N 2.13 4.57 0.36 2.92 1.01 -1.26 -1.47 120.40 128.65 1x5s s VAL 44 Ca 0.03 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.52 1x5s s VAL 44 Cb -0.15 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1x5s s VAL 44 CO -0.07 -0.48 1.44 0.54 0.00 0.00 0.00 175.10 176.53 1x5s s VAL 45 N 1.51 2.24 0.13 2.92 0.11 -1.16 -4.85 120.40 121.30 1x5s s VAL 45 Ca 0.03 0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1x5s s VAL 45 Cb -0.23 -3.15 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1x5s s VAL 45 CO 0.04 0.06 0.13 -0.54 -3.33 0.00 0.00 175.10 171.46 1x5s s LYS 46 N -1.95 0.97 0.84 1.54 1.02 -1.26 0.57 119.74 121.47 1x5s s LYS 46 Ca 0.52 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 1x5s s LYS 46 Cb -0.45 0.29 0.20 0.00 -0.52 0.00 0.00 37.83 37.35 1x5s s LYS 46 CO 0.60 -0.30 1.04 -3.47 -0.92 0.00 0.00 175.35 172.29 1x5s n ASP 47 N -0.11 -0.39 -0.00 2.83 2.03 -1.19 -4.80 116.55 114.90 1x5s n ASP 47 Ca -0.07 -1.31 0.06 0.00 0.52 0.00 0.00 54.79 53.99 1x5s n ASP 47 Cb 0.63 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 40.12 1x5s n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x5s n ARG 48 N -3.51 0.44 -0.08 -0.67 1.74 -1.26 -3.51 116.66 109.80 1x5s n ARG 48 Ca 0.13 -0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 1x5s n ARG 48 Cb 0.47 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.53 1x5s n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x5s n GLU 49 N -1.87 0.65 -0.05 5.56 1.02 -1.26 -4.54 120.64 120.15 1x5s n GLU 49 Ca -0.02 0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1x5s n GLU 49 Cb 0.29 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 1x5s n GLU 49 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1x5s n THR 50 N -3.80 1.49 -3.64 2.62 5.66 -1.26 -5.00 114.28 110.35 1x5s n THR 50 Ca -0.40 -0.81 -0.23 0.00 -3.05 0.00 0.00 64.05 59.56 1x5s n THR 50 Cb 0.92 -0.80 0.07 0.00 -1.55 0.00 0.00 70.33 68.96 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5s n GLN 51 N -2.92 -6.87 -4.37 1.09 1.13 -1.23 -4.97 117.38 99.24 1x5s n GLN 51 Ca -0.22 0.76 -0.20 0.00 -1.94 0.00 0.00 57.00 55.40 1x5s n GLN 51 Cb 1.07 -5.73 -0.10 0.00 0.11 0.00 0.00 30.24 25.59 1x5s n GLN 51 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x5s s ARG 52 N -6.13 1.40 -0.93 -1.09 0.52 -1.26 -4.84 118.95 106.61 1x5s s ARG 52 Ca 0.41 -1.60 -0.32 0.00 -0.52 0.00 0.00 55.73 53.71 1x5s s ARG 52 Cb -0.19 -1.31 -0.21 0.00 0.52 0.00 0.00 34.95 33.76 1x5s s ARG 52 CO 0.76 0.23 2.64 0.45 0.02 0.00 0.00 175.30 179.40 1x5s n SER 53 N -0.30 0.44 -0.32 0.23 2.88 -1.26 -3.18 113.62 112.10 1x5s n SER 53 Ca -0.08 0.19 0.21 0.00 -1.33 0.00 0.00 58.87 57.86 1x5s n SER 53 Cb 0.60 -0.95 0.42 0.00 -0.75 0.00 0.00 64.21 63.52 1x5s n SER 53 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1x5s h ARG 54 N 12.15 0.15 0.00 -1.46 9.65 -0.19 -3.44 114.38 131.24 1x5s h ARG 54 Ca -0.06 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1x5s h ARG 54 Cb 1.32 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1x5s h ARG 54 CO 1.35 0.10 0.00 0.41 2.80 0.00 0.00 179.97 184.63 1x5s n GLY 55 N -1.34 -0.42 3.46 2.80 0.00 -1.26 -5.00 105.19 103.43 1x5s n GLY 55 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1x5s n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x5s s PHE 56 N 0.00 0.49 0.00 1.61 -0.71 -1.26 -1.27 117.98 116.84 1x5s s PHE 56 Ca 0.00 -0.83 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1x5s s PHE 56 Cb 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.82 1x5s s PHE 56 CO 0.00 -0.87 0.00 0.41 -1.34 0.00 0.00 175.22 173.42 1x5s n GLY 57 N -0.32 2.88 3.55 1.99 0.00 0.83 -2.98 105.19 111.14 1x5s n GLY 57 Ca -0.03 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 1x5s n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5s s PHE 58 N -5.50 -0.57 -0.08 1.61 0.40 -0.54 -2.13 117.98 111.16 1x5s s PHE 58 Ca 0.00 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.38 1x5s s PHE 58 Cb 0.00 0.41 0.02 0.00 0.51 0.00 0.00 43.02 43.96 1x5s s PHE 58 CO 0.00 -0.50 -0.09 0.08 0.70 0.00 0.00 175.22 175.41 1x5s s VAL 59 N -1.00 1.00 -0.22 -0.44 1.01 -1.25 -0.59 120.40 118.92 1x5s s VAL 59 Ca -0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1x5s s VAL 59 Cb -0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x5s s VAL 59 CO 0.06 0.34 0.55 -0.89 0.00 0.00 0.00 175.10 175.17 1x5s s THR 60 N 1.18 5.07 -0.06 3.92 2.01 0.13 -3.25 115.64 124.64 1x5s s THR 60 Ca -0.05 1.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.86 1x5s s THR 60 Cb -0.14 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1x5s s THR 60 CO -0.02 0.13 0.25 -0.36 -0.69 0.00 0.00 174.62 173.93 1x5s s PHE 61 N 1.93 3.64 0.20 4.92 0.40 -1.21 0.91 117.98 128.77 1x5s s PHE 61 Ca 0.25 0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 57.13 1x5s s PHE 61 Cb -0.16 -2.06 0.21 0.00 0.51 0.00 0.00 43.02 41.52 1x5s s PHE 61 CO 0.09 0.69 1.64 0.93 0.70 0.00 0.00 175.22 179.28 1x5s h GLU 62 N 4.73 0.02 -5.18 0.44 4.39 -1.84 -3.38 114.58 113.76 1x5s h GLU 62 Ca -0.53 -0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.53 1x5s h GLU 62 Cb 1.22 -0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.66 1x5s h GLU 62 CO 0.60 0.01 -0.64 -0.80 -1.16 0.00 0.00 179.01 177.02 1x5s s ASN 63 N -5.23 5.01 0.28 1.42 0.01 -1.26 -5.00 114.94 110.17 1x5s s ASN 63 Ca -0.14 -0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1x5s s ASN 63 Cb 0.18 -1.85 0.63 0.00 0.41 0.00 0.00 41.25 40.61 1x5s s ASN 63 CO 0.73 0.10 1.64 0.40 -1.51 0.00 0.00 177.10 178.46 1x5s h ILE 64 N 5.24 0.31 0.35 0.60 2.04 -1.83 -0.66 117.51 123.57 1x5s h ILE 64 Ca -0.35 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1x5s h ILE 64 Cb 1.18 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1x5s h ILE 64 CO 0.63 0.03 -0.17 0.44 0.00 0.00 0.00 178.15 179.08 1x5s h ASP 65 N 0.17 -0.40 -0.82 1.72 3.32 -1.94 -2.89 116.42 115.58 1x5s h ASP 65 Ca 0.51 -0.06 0.31 0.00 0.02 0.00 0.00 57.03 57.81 1x5s h ASP 65 Cb 0.99 0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1x5s h ASP 65 CO -0.67 -0.20 0.31 0.47 -1.72 0.00 0.00 179.24 177.43 1x5s n ASP 66 N -5.25 0.17 0.28 6.45 9.92 -0.27 0.31 116.55 128.16 1x5s n ASP 66 Ca -0.10 1.38 -0.17 0.00 -0.53 0.00 0.00 54.79 55.36 1x5s n ASP 66 Cb 0.24 -0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 40.01 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5s h ALA 67 N 1.64 -1.01 -1.03 2.24 0.00 -1.32 -2.10 119.26 117.68 1x5s h ALA 67 Ca 0.64 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.66 1x5s h ALA 67 Cb 1.59 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.89 1x5s h ALA 67 CO -0.68 -1.11 0.62 1.57 0.00 0.00 0.00 179.25 179.66 1x5s h LYS 68 N -0.93 0.42 -0.61 0.00 2.10 -0.21 0.52 116.57 117.86 1x5s h LYS 68 Ca -0.05 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1x5s h LYS 68 Cb 0.81 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.01 1x5s h LYS 68 CO -0.05 0.28 0.38 0.22 -2.00 0.00 0.00 179.45 178.29 1x5s h ASP 69 N 0.44 0.64 1.81 7.07 3.58 -1.05 -0.80 116.42 128.10 1x5s h ASP 69 Ca 0.67 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.11 1x5s h ASP 69 Cb 1.51 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.41 1x5s h ASP 69 CO -0.47 0.46 -0.20 0.00 -2.88 0.00 0.00 179.24 176.15 1x5s h ALA 70 N 1.25 0.90 -0.08 -0.78 0.00 -0.07 -3.29 119.26 117.19 1x5s h ALA 70 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1x5s h ALA 70 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x5s h ALA 70 CO -0.08 0.05 -0.18 1.98 0.00 0.00 0.00 179.25 181.02 1x5s h MET 71 N 0.00 0.26 0.00 0.00 1.85 0.55 -0.54 114.93 117.04 1x5s h MET 71 Ca -0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1x5s h MET 71 Cb 1.03 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1x5s h MET 71 CO 0.00 0.78 0.00 0.00 -0.40 0.00 0.00 176.91 177.29 1x5s n MET 72 N -4.56 0.05 -0.13 0.39 0.00 -0.37 0.19 117.12 112.69 1x5s n MET 72 Ca -0.08 0.27 -0.23 0.00 0.00 0.00 0.00 57.70 57.67 1x5s n MET 72 Cb 0.41 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.01 1x5s n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x5s n ALA 73 N -1.44 1.32 0.13 3.17 0.00 -1.12 -4.59 120.51 117.96 1x5s n ALA 73 Ca 0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 53.44 52.16 1x5s n ALA 73 Cb 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 1x5s n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5s h MET 74 N -0.38 0.49 -4.20 0.00 2.86 -0.91 -3.43 114.93 109.36 1x5s h MET 74 Ca -0.61 -0.84 -0.36 0.00 -2.06 0.00 0.00 59.70 55.82 1x5s h MET 74 Cb 1.79 0.31 -0.09 0.00 0.06 0.00 0.00 31.60 33.68 1x5s h MET 74 CO -0.21 1.40 1.60 -1.71 1.06 0.00 0.00 176.91 179.05 1x5s n ASN 75 N -3.77 -0.50 -0.25 1.22 5.15 0.13 0.15 115.26 117.40 1x5s n ASN 75 Ca -0.18 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 1x5s n ASN 75 Cb 1.06 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5s n GLY 76 N 5.04 0.98 3.14 8.20 0.00 -1.26 -4.80 105.19 116.49 1x5s n GLY 76 Ca 0.56 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1x5s n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x5s n LYS 77 N -0.26 0.85 -3.83 1.61 4.76 0.40 -5.04 118.16 116.66 1x5s n LYS 77 Ca 0.00 -2.92 -0.29 0.00 -2.87 0.00 0.00 58.31 52.24 1x5s n LYS 77 Cb 0.25 0.42 -0.16 0.00 -1.84 0.00 0.00 35.03 33.71 1x5s n LYS 77 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x5s s SER 78 N -3.61 3.31 -0.38 4.39 0.01 -1.26 -3.70 113.70 112.45 1x5s s SER 78 Ca 0.20 -0.97 -0.17 0.00 1.31 0.00 0.00 55.95 56.33 1x5s s SER 78 Cb -0.02 -0.86 0.01 0.00 0.21 0.00 0.00 66.02 65.36 1x5s s SER 78 CO 0.13 -0.27 0.41 0.54 0.41 0.00 0.00 173.24 174.46 1x5s s VAL 79 N 1.65 5.11 -1.17 3.43 0.11 -1.26 -4.25 120.40 124.02 1x5s s VAL 79 Ca -0.03 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.84 1x5s s VAL 79 Cb -0.18 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1x5s s VAL 79 CO -0.07 -0.27 0.58 0.47 -3.33 0.00 0.00 175.10 172.47 1x5s n ASP 80 N 5.53 -5.17 -1.39 3.54 8.00 -1.26 -2.93 116.55 122.87 1x5s n ASP 80 Ca -0.08 -0.27 -0.06 0.00 0.71 0.00 0.00 54.79 55.09 1x5s n ASP 80 Cb 0.48 -3.96 0.02 0.00 -0.02 0.00 0.00 41.12 37.64 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5s n GLY 81 N -1.43 0.50 1.92 0.44 0.00 -1.26 -5.06 105.19 100.31 1x5s n GLY 81 Ca -0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1x5s n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s n ARG 82 N -1.75 1.17 -2.05 1.61 5.12 -1.15 -5.07 116.66 114.53 1x5s n ARG 82 Ca -0.01 -1.81 -0.04 0.00 -1.93 0.00 0.00 57.85 54.07 1x5s n ARG 82 Cb 0.52 0.29 0.06 0.00 -1.16 0.00 0.00 32.46 32.17 1x5s n ARG 82 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1x5s n GLN 83 N -1.00 1.72 -1.46 5.56 3.00 -1.26 -4.32 117.38 119.62 1x5s n GLN 83 Ca -0.04 -3.27 -0.29 0.00 -0.01 0.00 0.00 57.00 53.38 1x5s n GLN 83 Cb 0.32 -1.38 0.14 0.00 0.00 0.00 0.00 30.24 29.32 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1x5s s ILE 84 N -3.01 2.21 0.12 5.09 -4.36 -1.24 -4.96 121.20 115.05 1x5s s ILE 84 Ca 0.35 0.07 -0.00 0.00 -0.26 0.00 0.00 60.65 60.81 1x5s s ILE 84 Cb 0.36 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 1x5s s ILE 84 CO -0.06 -0.09 0.02 -0.13 0.24 0.00 0.00 174.94 174.92 1x5s s ARG 85 N -5.19 0.88 -0.02 0.37 0.52 -1.23 -3.59 118.95 110.69 1x5s s ARG 85 Ca 0.64 -1.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1x5s s ARG 85 Cb -0.15 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.43 1x5s s ARG 85 CO 0.54 -0.18 -0.09 0.08 0.02 0.00 0.00 175.30 175.67 1x5s s VAL 86 N -3.92 0.76 0.20 3.52 1.01 -1.26 -3.42 120.40 117.29 1x5s s VAL 86 Ca 0.19 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1x5s s VAL 86 Cb 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1x5s s VAL 86 CO -0.01 0.23 0.54 -1.81 0.00 0.00 0.00 175.10 174.05 1x5s s ASP 87 N -0.00 -0.27 -0.21 3.32 1.11 -1.21 -4.30 116.67 115.10 1x5s s ASP 87 Ca 0.00 -0.48 -0.34 0.00 0.18 0.00 0.00 52.55 51.91 1x5s s ASP 87 Cb -0.06 0.59 -0.11 0.00 1.07 0.00 0.00 42.92 44.42 1x5s s ASP 87 CO 0.00 -1.08 2.05 0.00 1.18 0.00 0.00 175.17 177.32 1x5s n GLN 88 N -0.36 1.70 -1.05 8.23 3.00 -1.26 -2.42 117.38 125.22 1x5s n GLN 88 Ca -0.09 0.55 -0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1x5s n GLN 88 Cb 0.62 -2.66 -0.15 0.00 0.00 0.00 0.00 30.24 28.05 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x5s n ALA 89 N 8.63 6.51 -3.62 -1.58 0.00 -1.24 -4.77 120.51 124.44 1x5s n ALA 89 Ca 0.31 -2.06 -0.09 0.00 0.00 0.00 0.00 53.44 51.60 1x5s n ALA 89 Cb 0.29 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.25 1x5s n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x5s s GLY 90 N 1.96 -0.15 0.49 0.00 0.00 -1.26 -4.88 107.32 103.49 1x5s s GLY 90 Ca 0.67 2.57 0.06 0.00 0.00 0.00 0.00 44.72 48.02 1x5s s GLY 90 CO -0.01 1.63 0.31 1.25 0.00 0.00 0.00 173.10 176.28 1x5s s LYS 91 N -0.13 2.28 -0.15 2.90 2.20 -1.26 -4.63 119.74 120.95 1x5s s LYS 91 Ca 0.02 -1.95 -0.13 0.00 -0.36 0.00 0.00 55.97 53.56 1x5s s LYS 91 Cb -0.04 -2.06 0.04 0.00 -1.51 0.00 0.00 37.83 34.27 1x5s s LYS 91 CO -0.05 -0.42 0.39 0.45 -0.36 0.00 0.00 175.35 175.36 1x5s s SER 92 N -4.14 -0.42 -1.34 1.43 0.15 -1.26 -4.91 113.70 103.22 1x5s s SER 92 Ca 0.35 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.72 1x5s s SER 92 Cb -0.01 0.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1x5s s SER 92 CO 0.21 -0.14 1.15 -0.24 1.20 0.00 0.00 173.24 175.41 1x5s n SER 93 N 3.08 -5.57 -4.27 5.45 2.88 -1.26 -4.95 113.62 108.99 1x5s n SER 93 Ca -0.15 -0.56 -0.44 0.00 -1.33 0.00 0.00 58.87 56.39 1x5s n SER 93 Cb 0.57 -5.02 -0.03 0.00 -0.75 0.00 0.00 64.21 58.97 1x5s n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x5s s ASP 94 N -3.51 6.50 -1.45 -3.46 -1.08 -1.26 -4.63 116.67 107.77 1x5s s ASP 94 Ca 0.48 -2.92 -0.09 0.00 -0.52 0.00 0.00 52.55 49.50 1x5s s ASP 94 Cb -0.21 -2.12 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1x5s s ASP 94 CO 0.73 -0.47 0.89 0.59 0.52 0.00 0.00 175.17 177.43 1x5s n ASN 95 N 3.59 -3.57 -4.69 -0.34 4.13 -1.26 -4.95 115.26 108.16 1x5s n ASN 95 Ca 0.15 -0.79 -0.37 0.00 1.68 0.00 0.00 54.58 55.25 1x5s n ASN 95 Cb 0.43 -3.97 -0.08 0.00 -1.54 0.00 0.00 39.78 34.63 1x5s n ASN 95 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1x5s s ARG 96 N -6.40 4.18 -0.01 3.52 3.00 -1.26 -5.07 118.95 116.91 1x5s s ARG 96 Ca 0.43 0.03 -0.10 0.00 -1.00 0.00 0.00 55.73 55.09 1x5s s ARG 96 Cb -0.21 -3.49 0.01 0.00 0.00 0.00 0.00 34.95 31.25 1x5s s ARG 96 CO 0.82 0.09 0.20 -1.12 0.00 0.00 0.00 175.30 175.30 1x5s s SER 97 N 0.82 -0.06 0.00 -2.12 0.01 -1.26 -5.05 113.70 106.04 1x5s s SER 97 Ca 0.15 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1x5s s SER 97 Cb -0.14 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1x5s s SER 97 CO 0.05 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1x5s n GLY 98 N 1.47 -1.40 3.77 3.44 0.00 -1.26 -5.05 105.19 106.16 1x5s n GLY 98 Ca -0.22 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1x5s n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5s s PRO 99 N -0.26 3.40 0.43 1.61 0.04 -1.26 -5.02 135.00 133.94 1x5s s PRO 99 Ca 0.00 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 1x5s s PRO 99 Cb 0.00 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 1x5s s PRO 99 CO 0.00 -0.82 0.95 -1.54 0.04 0.00 0.00 177.00 175.63 1x5s s SER 100 N -1.73 6.94 0.16 6.66 1.04 -1.26 -5.08 113.70 120.43 1x5s s SER 100 Ca 0.72 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.85 1x5s s SER 100 Cb -0.24 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.29 1x5s s SER 100 CO 0.28 -0.36 0.03 -0.44 0.98 0.00 0.00 173.24 173.73 1x5s s SER 101 N -2.17 0.76 0.00 7.02 0.01 -1.26 -5.33 113.70 112.74 1x5s s SER 101 Ca 0.62 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1x5s s SER 101 Cb -0.09 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1x5s s SER 101 CO 0.13 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.74