#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s n SER 2 N 0.00 1.82 -4.76 1.61 2.88 -1.26 -5.04 113.62 108.87 1x5s n SER 2 Ca 0.00 0.30 -0.23 0.00 -1.33 0.00 0.00 58.87 57.62 1x5s n SER 2 Cb 0.00 -0.69 0.09 0.00 -0.75 0.00 0.00 64.21 62.86 1x5s n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5s s SER 3 N -6.08 4.57 1.47 -3.46 1.04 -1.26 -4.93 113.70 105.05 1x5s s SER 3 Ca -0.26 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x5s s SER 3 Cb 0.05 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1x5s s SER 3 CO 0.38 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1x5s n GLY 4 N -2.71 2.84 3.46 7.32 0.00 -1.26 -4.85 105.19 110.00 1x5s n GLY 4 Ca 0.14 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5s s SER 5 N -4.00 -0.58 0.24 1.61 0.15 -1.26 -5.18 113.70 104.67 1x5s s SER 5 Ca 0.00 0.41 0.06 0.00 0.70 0.00 0.00 55.95 57.12 1x5s s SER 5 Cb 0.00 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1x5s s SER 5 CO 0.00 -0.72 -0.09 -0.44 1.20 0.00 0.00 173.24 173.19 1x5s s SER 6 N -1.76 2.50 0.30 5.45 0.01 -1.26 -5.05 113.70 113.88 1x5s s SER 6 Ca -0.07 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1x5s s SER 6 Cb -0.01 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1x5s s SER 6 CO 0.02 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x5s n GLY 7 N -0.46 -5.16 2.92 3.44 0.00 -1.26 -4.98 105.19 99.68 1x5s n GLY 7 Ca -0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1x5s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5s s MET 8 N -1.52 1.46 0.23 1.61 1.00 -1.26 -5.10 119.30 115.71 1x5s s MET 8 Ca 0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 55.69 54.37 1x5s s MET 8 Cb 0.00 -2.58 0.05 0.00 0.00 0.00 0.00 34.83 32.31 1x5s s MET 8 CO 0.00 -0.69 0.88 0.00 0.00 0.00 0.00 175.02 175.20 1x5s s ALA 9 N 1.37 -1.39 -0.11 3.03 0.00 -1.26 -5.15 121.76 118.25 1x5s s ALA 9 Ca -0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1x5s s ALA 9 Cb -0.19 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1x5s s ALA 9 CO -0.09 -1.04 0.43 0.45 0.00 0.00 0.00 175.76 175.52 1x5s s SER 10 N -3.02 6.65 0.67 0.00 0.15 -1.26 -5.07 113.70 111.83 1x5s s SER 10 Ca 0.14 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 57.42 1x5s s SER 10 Cb -0.03 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1x5s s SER 10 CO 0.05 0.06 1.11 1.51 1.20 0.00 0.00 173.24 177.17 1x5s s ASP 11 N 0.40 5.00 0.00 5.45 -4.77 -1.26 -4.98 116.67 116.50 1x5s s ASP 11 Ca 0.24 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.48 1x5s s ASP 11 Cb -0.15 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 1x5s s ASP 11 CO 0.09 -1.70 0.00 -0.62 0.70 0.00 0.00 175.17 173.64 1x5s n GLU 12 N -2.56 0.71 0.00 2.11 -0.58 -1.26 -5.01 120.64 114.05 1x5s n GLU 12 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1x5s n GLU 12 Cb 0.52 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x5s n GLY 13 N 3.22 2.95 3.76 0.62 0.00 -1.26 -4.63 105.19 109.85 1x5s n GLY 13 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 4.68 -0.04 1.61 2.47 -1.26 -3.07 119.74 124.12 1x5s s LYS 14 Ca 0.00 1.29 0.07 0.00 -1.56 0.00 0.00 55.97 55.76 1x5s s LYS 14 Cb 0.00 -3.28 -0.02 0.00 -1.46 0.00 0.00 37.83 33.08 1x5s s LYS 14 CO 0.00 0.53 -0.24 -0.51 0.16 0.00 0.00 175.35 175.29 1x5s s LEU 15 N -1.08 2.13 -0.40 5.43 1.43 -1.25 -2.63 118.68 122.32 1x5s s LEU 15 Ca 0.38 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 1x5s s LEU 15 Cb -0.24 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1x5s s LEU 15 CO 0.28 0.28 0.55 0.12 0.23 0.00 0.00 176.35 177.82 1x5s s PHE 16 N -0.40 3.13 -0.10 0.29 5.36 -0.07 -3.98 117.98 122.21 1x5s s PHE 16 Ca 0.03 -0.03 -0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1x5s s PHE 16 Cb -0.12 -3.08 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 1x5s s PHE 16 CO 0.01 -0.70 -0.09 0.08 -1.46 0.00 0.00 175.22 173.07 1x5s s VAL 17 N 2.50 3.51 0.01 3.12 1.01 -1.11 -2.64 120.40 126.81 1x5s s VAL 17 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1x5s s VAL 17 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1x5s s VAL 17 CO 0.15 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.90 1x5s s GLY 18 N -0.19 0.40 0.00 4.51 0.00 -1.19 -2.77 107.32 108.08 1x5s s GLY 18 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1x5s s GLY 18 CO 0.03 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1x5s n GLY 19 N 2.54 0.64 3.56 0.20 0.00 -0.76 -2.89 105.19 108.48 1x5s n GLY 19 Ca -0.15 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 1.14 -4.69 0.99 4.77 0.97 -4.68 117.00 115.50 1x5s n LEU 20 Ca 0.00 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.80 1x5s n LEU 20 Cb 0.00 -1.14 0.15 0.00 -2.33 0.00 0.00 43.42 40.10 1x5s n LEU 20 CO 0.00 -1.41 0.70 -0.44 -1.33 0.00 0.00 177.39 174.91 1x5s s SER 21 N 0.11 3.27 0.36 -1.43 0.01 -1.26 -4.54 113.70 110.22 1x5s s SER 21 Ca 0.80 2.19 0.06 0.00 1.31 0.00 0.00 55.95 60.30 1x5s s SER 21 Cb -0.97 -2.57 0.67 0.00 0.21 0.00 0.00 66.02 63.37 1x5s s SER 21 CO 0.51 -2.87 1.91 2.19 0.41 0.00 0.00 173.24 175.39 1x5s h PHE 22 N -1.54 0.48 0.00 2.43 -5.15 -1.91 -2.20 116.94 109.06 1x5s h PHE 22 Ca -0.44 -0.04 -0.14 0.00 -0.20 0.00 0.00 57.97 57.15 1x5s h PHE 22 Cb 1.27 -0.14 -0.02 0.00 0.22 0.00 0.00 35.95 37.28 1x5s h PHE 22 CO 0.50 0.48 -0.67 -0.44 -2.00 0.00 0.00 178.31 176.19 1x5s h ASP 23 N 0.46 0.00 -1.74 -0.68 5.19 -1.98 -3.44 116.42 114.24 1x5s h ASP 23 Ca 0.10 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.01 1x5s h ASP 23 Cb 0.29 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.80 1x5s h ASP 23 CO 0.01 0.67 1.59 -0.89 -3.12 0.00 0.00 179.24 177.49 1x5s s THR 24 N -3.27 3.01 0.50 0.35 2.01 -0.83 -4.90 115.64 112.50 1x5s s THR 24 Ca 0.00 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1x5s s THR 24 Cb 0.11 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.62 1x5s s THR 24 CO 0.76 -0.02 0.46 0.20 -0.69 0.00 0.00 174.62 175.34 1x5s s ASN 25 N 10.97 4.89 0.43 3.53 0.01 -1.26 -4.80 114.94 128.71 1x5s s ASN 25 Ca 0.98 -0.97 0.21 0.00 -0.71 0.00 0.00 52.86 52.38 1x5s s ASN 25 Cb -0.22 -0.01 1.17 0.00 0.41 0.00 0.00 41.25 42.60 1x5s s ASN 25 CO 0.29 -0.96 1.81 -0.33 -1.51 0.00 0.00 177.10 176.39 1x5s h GLU 26 N 0.76 0.32 -0.03 -0.60 5.08 -1.97 -0.38 114.58 117.76 1x5s h GLU 26 Ca -0.37 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1x5s h GLU 26 Cb 1.29 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x5s h GLU 26 CO 0.54 0.21 -0.07 0.37 -1.00 0.00 0.00 179.01 179.07 1x5s h GLN 27 N 0.33 0.09 0.24 2.33 5.75 -1.97 -3.21 115.11 118.67 1x5s h GLN 27 Ca 0.55 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1x5s h GLN 27 Cb 1.51 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 30.04 1x5s h GLN 27 CO -0.21 0.67 -0.41 0.77 -2.65 0.00 0.00 178.83 176.99 1x5s h SER 28 N -0.46 -1.19 -0.96 -0.69 0.02 -1.45 -1.65 113.55 107.17 1x5s h SER 28 Ca -0.00 0.11 0.26 0.00 -0.84 0.00 0.00 61.79 61.33 1x5s h SER 28 Cb 0.67 0.42 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 1x5s h SER 28 CO 0.01 -0.48 0.02 0.18 -1.14 0.00 0.00 176.83 175.42 1x5s n LEU 29 N -4.84 -0.11 0.04 5.07 4.77 -0.69 0.53 117.00 121.77 1x5s n LEU 29 Ca -0.08 1.63 -0.12 0.00 -0.03 0.00 0.00 56.01 57.41 1x5s n LEU 29 Cb 0.35 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1x5s n LEU 29 CO 0.16 -1.65 0.84 -0.08 -1.33 0.00 0.00 177.39 175.33 1x5s h GLU 30 N 0.00 -0.03 -0.63 3.23 4.81 -1.40 0.67 114.58 121.23 1x5s h GLU 30 Ca 0.58 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.94 1x5s h GLU 30 Cb 1.20 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1x5s h GLU 30 CO -0.90 0.03 0.43 1.96 -0.73 0.00 0.00 179.01 179.80 1x5s h GLN 31 N -0.08 0.32 0.00 1.92 1.08 0.99 0.13 115.11 119.48 1x5s h GLN 31 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1x5s h GLN 31 Cb 0.07 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1x5s h GLN 31 CO 0.00 0.21 0.00 0.28 -0.95 0.00 0.00 178.83 178.38 1x5s n VAL 32 N -4.46 0.00 -0.37 -0.54 0.31 -0.27 -3.94 118.33 109.06 1x5s n VAL 32 Ca 0.11 0.48 0.31 0.00 -0.01 0.00 0.00 64.34 65.24 1x5s n VAL 32 Cb 0.47 -1.46 0.58 0.00 -0.91 0.00 0.00 33.84 32.51 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 0.00 0.73 -0.34 3.52 -1.00 0.31 0.38 116.94 120.54 1x5s h PHE 33 Ca 0.00 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.88 1x5s h PHE 33 Cb 0.00 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.31 1x5s h PHE 33 CO 0.00 -0.26 -0.07 1.03 -1.61 0.00 0.00 178.31 177.40 1x5s h SER 34 N 0.15 -0.28 -0.19 2.17 0.87 -0.85 0.18 113.55 115.59 1x5s h SER 34 Ca 0.80 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 61.51 1x5s h SER 34 Cb 2.18 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 64.33 1x5s h SER 34 CO -0.57 -0.10 0.26 0.11 -0.53 0.00 0.00 176.83 176.00 1x5s h LYS 35 N 0.02 0.00 0.14 2.24 1.57 -0.36 -0.62 116.57 119.55 1x5s h LYS 35 Ca 0.16 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.61 1x5s h LYS 35 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1x5s h LYS 35 CO -0.34 0.00 -1.71 1.88 -0.57 0.00 0.00 179.45 178.71 1x5s h TYR 36 N 0.00 0.52 -1.49 -1.35 -1.99 -0.68 -3.50 116.97 108.49 1x5s h TYR 36 Ca 0.09 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1x5s h TYR 36 Cb 0.60 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1x5s h TYR 36 CO 0.00 1.53 0.00 0.41 -0.00 0.00 0.00 178.16 180.10 1x5s n GLY 37 N 1.79 1.33 3.76 3.88 0.00 -0.01 -4.60 105.19 111.34 1x5s n GLY 37 Ca -0.22 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.79 4.44 0.27 1.61 -0.21 -1.26 -3.98 119.66 118.74 1x5s s GLN 38 Ca 0.00 0.97 0.09 0.00 0.02 0.00 0.00 55.36 56.44 1x5s s GLN 38 Cb 0.00 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1x5s s GLN 38 CO 0.00 0.37 0.00 0.42 -2.12 0.00 0.00 175.29 173.96 1x5s s ILE 39 N -0.31 3.42 0.00 1.08 1.01 -1.26 -4.45 121.20 120.69 1x5s s ILE 39 Ca 0.35 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1x5s s ILE 39 Cb -0.20 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1x5s s ILE 39 CO 0.22 -0.36 0.00 -0.24 0.00 0.00 0.00 174.94 174.55 1x5s n SER 40 N -0.91 2.52 -3.46 3.58 2.88 0.18 -4.54 113.62 113.87 1x5s n SER 40 Ca -0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 1x5s n SER 40 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 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 -1.88 1.16 -0.00 -1.46 2.56 -0.40 -4.97 118.70 113.71 1x5s s GLU 41 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.97 54.76 1x5s s GLU 41 Cb 0.00 0.54 -0.01 0.00 2.00 0.00 0.00 34.13 36.65 1x5s s GLU 41 CO 0.00 -0.48 -0.16 0.08 -0.56 0.00 0.00 175.26 174.14 1x5s s VAL 42 N -3.02 1.28 -0.18 3.70 1.01 -1.26 0.98 120.40 122.92 1x5s s VAL 42 Ca -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1x5s s VAL 42 Cb -0.01 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.34 1x5s s VAL 42 CO -0.07 0.31 -0.01 -0.69 0.00 0.00 0.00 175.10 174.64 1x5s s VAL 43 N -0.46 0.88 -0.16 2.92 1.01 0.47 -4.99 120.40 120.07 1x5s s VAL 43 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1x5s s VAL 43 Cb -0.07 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1x5s s VAL 43 CO -0.00 -0.01 -0.12 -0.69 0.00 0.00 0.00 175.10 174.27 1x5s s VAL 44 N 1.72 2.95 0.14 2.92 1.01 -1.26 -0.91 120.40 126.97 1x5s s VAL 44 Ca -0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1x5s s VAL 44 Cb -0.16 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 1x5s s VAL 44 CO -0.07 0.50 1.11 -0.69 0.00 0.00 0.00 175.10 175.94 1x5s s VAL 45 N 0.83 4.00 -0.01 2.92 1.01 -1.24 -4.99 120.40 122.91 1x5s s VAL 45 Ca -0.04 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1x5s s VAL 45 Cb -0.15 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1x5s s VAL 45 CO 0.00 0.24 0.02 -0.54 0.00 0.00 0.00 175.10 174.82 1x5s s LYS 46 N 0.04 -0.01 0.80 2.72 1.02 -1.26 -1.41 119.74 121.64 1x5s s LYS 46 Ca 0.51 0.10 -0.11 0.00 0.02 0.00 0.00 55.97 56.50 1x5s s LYS 46 Cb -0.29 -0.14 0.17 0.00 -0.52 0.00 0.00 37.83 37.05 1x5s s LYS 46 CO 0.33 -0.09 0.39 -3.47 -0.92 0.00 0.00 175.35 171.59 1x5s n ASP 47 N 3.69 -2.78 -0.00 2.83 2.03 -1.26 -4.82 116.55 116.24 1x5s n ASP 47 Ca -0.21 -0.39 0.05 0.00 0.52 0.00 0.00 54.79 54.76 1x5s n ASP 47 Cb 0.54 -0.59 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 1x5s n ASP 47 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1x5s n ARG 48 N -2.09 0.36 -0.05 -0.67 0.63 -1.26 -3.65 116.66 109.93 1x5s n ARG 48 Ca 0.06 -0.10 -0.03 0.00 -0.92 0.00 0.00 57.85 56.87 1x5s n ARG 48 Cb 0.27 -1.26 -0.12 0.00 0.45 0.00 0.00 32.46 31.81 1x5s n ARG 48 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1x5s n GLU 49 N -1.87 1.29 -0.10 -0.14 1.02 -1.26 -4.61 120.64 114.96 1x5s n GLU 49 Ca -0.02 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1x5s n GLU 49 Cb 0.28 -1.37 -0.15 0.00 -0.02 0.00 0.00 31.44 30.18 1x5s n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x5s n THR 50 N -2.39 1.43 -3.08 2.62 -2.24 -1.26 -4.99 114.28 104.37 1x5s n THR 50 Ca -0.17 -0.78 -0.21 0.00 -2.27 0.00 0.00 64.05 60.62 1x5s n THR 50 Cb 0.80 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5s n GLN 51 N -2.90 -3.61 -5.15 -0.78 1.13 -1.24 -4.95 117.38 99.88 1x5s n GLN 51 Ca -0.36 0.64 -0.29 0.00 -1.94 0.00 0.00 57.00 55.05 1x5s n GLN 51 Cb 1.11 -5.38 -0.16 0.00 0.11 0.00 0.00 30.24 25.93 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1x5s s ARG 52 N -5.73 1.89 -0.43 -1.09 6.06 -1.26 -4.88 118.95 113.51 1x5s s ARG 52 Ca 0.29 -0.86 -0.40 0.00 -2.50 0.00 0.00 55.73 52.26 1x5s s ARG 52 Cb -0.15 -1.84 -0.17 0.00 0.06 0.00 0.00 34.95 32.85 1x5s s ARG 52 CO 0.36 0.50 1.47 0.45 -2.50 0.00 0.00 175.30 175.58 1x5s n SER 53 N 2.45 0.97 -0.19 -2.12 2.88 -1.26 -3.98 113.62 112.38 1x5s n SER 53 Ca -0.16 0.95 0.02 0.00 -1.33 0.00 0.00 58.87 58.35 1x5s n SER 53 Cb 0.52 -0.76 0.29 0.00 -0.75 0.00 0.00 64.21 63.50 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5s h ARG 54 N 4.96 0.89 0.00 -1.46 2.47 -1.62 -3.46 114.38 116.15 1x5s h ARG 54 Ca -0.33 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1x5s h ARG 54 Cb 1.19 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1x5s h ARG 54 CO 0.86 0.59 0.00 0.41 0.56 0.00 0.00 179.97 182.39 1x5s n GLY 55 N -1.43 -0.34 2.64 0.04 0.00 -1.26 -5.06 105.19 99.78 1x5s n GLY 55 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1x5s n GLY 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x5s n PHE 56 N 0.00 -1.67 -0.68 1.61 1.16 -1.26 -0.02 117.46 116.59 1x5s n PHE 56 Ca 0.00 -1.51 0.00 0.00 -1.87 0.00 0.00 57.45 54.07 1x5s n PHE 56 Cb 0.00 0.57 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 1x5s n PHE 56 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1x5s n GLY 57 N -0.41 -0.67 3.47 4.97 0.00 -1.11 -3.72 105.19 107.72 1x5s n GLY 57 Ca -0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.80 -0.43 -0.09 1.61 0.40 -0.08 -2.73 117.98 112.86 1x5s s PHE 58 Ca 0.00 0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.56 1x5s s PHE 58 Cb 0.00 0.55 0.04 0.00 0.51 0.00 0.00 43.02 44.12 1x5s s PHE 58 CO 0.00 -0.69 0.03 0.08 0.70 0.00 0.00 175.22 175.34 1x5s s VAL 59 N -3.41 0.24 -0.06 -0.44 1.01 -1.26 -0.39 120.40 116.09 1x5s s VAL 59 Ca 0.03 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1x5s s VAL 59 Cb -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1x5s s VAL 59 CO -0.10 0.12 1.04 -0.89 0.00 0.00 0.00 175.10 175.26 1x5s s THR 60 N 2.02 4.69 -0.21 3.92 2.01 0.28 -3.91 115.64 124.43 1x5s s THR 60 Ca 0.04 1.95 -0.09 0.00 0.31 0.00 0.00 61.69 63.90 1x5s s THR 60 Cb -0.13 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 1x5s s THR 60 CO -0.06 0.05 0.12 -0.36 -0.69 0.00 0.00 174.62 173.68 1x5s s PHE 61 N 1.73 3.34 0.25 4.92 0.40 -1.18 0.48 117.98 127.92 1x5s s PHE 61 Ca 0.51 0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 57.00 1x5s s PHE 61 Cb -0.20 -2.17 0.47 0.00 0.51 0.00 0.00 43.02 41.63 1x5s s PHE 61 CO 0.22 0.18 1.64 1.05 0.70 0.00 0.00 175.22 179.01 1x5s h GLU 62 N 6.91 0.12 -5.04 0.44 4.11 -1.80 -3.37 114.58 115.96 1x5s h GLU 62 Ca -0.39 -0.01 -0.64 0.00 0.07 0.00 0.00 59.36 58.40 1x5s h GLU 62 Cb 1.16 -0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 1x5s h GLU 62 CO 0.72 0.08 -0.57 -0.80 0.07 0.00 0.00 179.01 178.50 1x5s s ASN 63 N -5.18 5.56 0.36 3.06 0.01 -1.26 -4.98 114.94 112.50 1x5s s ASN 63 Ca -0.13 -0.06 0.15 0.00 -0.71 0.00 0.00 52.86 52.11 1x5s s ASN 63 Cb 0.23 -1.99 1.05 0.00 0.41 0.00 0.00 41.25 40.94 1x5s s ASN 63 CO 0.76 0.03 1.71 0.40 -1.51 0.00 0.00 177.10 178.48 1x5s h ILE 64 N 5.27 0.42 0.52 0.60 2.04 -1.82 -1.50 117.51 123.04 1x5s h ILE 64 Ca -0.37 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1x5s h ILE 64 Cb 1.18 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1x5s h ILE 64 CO 0.61 0.08 -0.25 -0.78 0.00 0.00 0.00 178.15 177.81 1x5s h ASP 65 N 0.41 -0.59 -0.79 1.72 3.58 -1.93 -3.21 116.42 115.61 1x5s h ASP 65 Ca 0.68 -0.03 0.24 0.00 0.42 0.00 0.00 57.03 58.34 1x5s h ASP 65 Cb 1.56 0.15 -0.15 0.00 1.72 0.00 0.00 39.33 42.61 1x5s h ASP 65 CO -0.47 -0.19 0.11 0.47 -2.88 0.00 0.00 179.24 176.28 1x5s n ASP 66 N -5.25 -0.01 0.10 2.28 8.00 -0.59 0.29 116.55 121.36 1x5s n ASP 66 Ca -0.10 1.33 -0.15 0.00 0.71 0.00 0.00 54.79 56.58 1x5s n ASP 66 Cb 0.30 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.79 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5s h ALA 67 N 1.58 -0.88 -0.47 2.24 0.00 -1.49 -2.24 119.26 118.00 1x5s h ALA 67 Ca 0.52 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.42 1x5s h ALA 67 Cb 1.16 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1x5s h ALA 67 CO -0.71 -1.07 0.06 1.57 0.00 0.00 0.00 179.25 179.10 1x5s h LYS 68 N -0.70 0.18 -0.91 0.00 2.10 -0.24 0.64 116.57 117.64 1x5s h LYS 68 Ca 0.01 -0.01 0.26 0.00 -2.00 0.00 0.00 60.65 58.91 1x5s h LYS 68 Cb 0.73 -0.04 -0.15 0.00 -0.90 0.00 0.00 32.23 31.86 1x5s h LYS 68 CO -0.30 0.12 0.26 -0.44 -2.00 0.00 0.00 179.45 177.09 1x5s h ASP 69 N 0.19 0.00 0.77 7.07 5.19 -0.81 0.29 116.42 129.13 1x5s h ASP 69 Ca 0.24 0.21 -0.18 0.00 -0.62 0.00 0.00 57.03 56.68 1x5s h ASP 69 Cb 0.32 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 1x5s h ASP 69 CO -0.33 -0.20 -1.34 0.00 -3.12 0.00 0.00 179.24 174.25 1x5s h ALA 70 N 1.83 0.66 -0.44 3.45 0.00 -0.85 -3.27 119.26 120.64 1x5s h ALA 70 Ca 0.59 -0.88 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1x5s h ALA 70 Cb 1.25 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1x5s h ALA 70 CO -0.70 0.98 0.11 1.98 0.00 0.00 0.00 179.25 181.62 1x5s h MET 71 N 0.00 0.24 -0.12 0.00 -1.53 0.39 0.11 114.93 114.02 1x5s h MET 71 Ca -0.16 -0.01 -0.20 0.00 -3.44 0.00 0.00 59.70 55.89 1x5s h MET 71 Cb 1.62 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.62 1x5s h MET 71 CO 0.06 0.16 -0.74 0.52 0.14 0.00 0.00 176.91 177.05 1x5s h MET 72 N 0.25 0.60 0.07 0.39 2.86 -1.45 0.29 114.93 117.93 1x5s h MET 72 Ca 0.21 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1x5s h MET 72 Cb 0.25 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1x5s h MET 72 CO -0.26 1.10 -0.05 0.00 1.06 0.00 0.00 176.91 178.76 1x5s h ALA 73 N 0.77 -0.11 0.04 6.32 0.00 -1.46 -3.02 119.26 121.81 1x5s h ALA 73 Ca -0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1x5s h ALA 73 Cb 1.33 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1x5s h ALA 73 CO 0.14 -0.56 -1.07 0.52 0.00 0.00 0.00 179.25 178.27 1x5s h MET 74 N -0.12 0.08 -5.06 0.00 2.86 -0.86 -3.43 114.93 108.41 1x5s h MET 74 Ca -0.00 -0.14 -0.36 0.00 -2.06 0.00 0.00 59.70 57.14 1x5s h MET 74 Cb 0.10 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.72 1x5s h MET 74 CO 0.00 1.06 1.75 -1.71 1.06 0.00 0.00 176.91 179.08 1x5s n ASN 75 N -3.40 -0.57 -0.11 1.22 2.85 0.10 0.14 115.26 115.48 1x5s n ASN 75 Ca -0.03 -0.46 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 1x5s n ASN 75 Cb 0.97 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 41.21 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5s n GLY 76 N 5.89 1.14 3.49 8.20 0.00 -1.26 -4.79 105.19 117.86 1x5s n GLY 76 Ca 0.64 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1x5s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s s LYS 77 N -1.98 2.97 -0.48 1.61 -0.14 0.37 -5.04 119.74 117.06 1x5s s LYS 77 Ca 0.00 -0.62 -0.25 0.00 -1.36 0.00 0.00 55.97 53.74 1x5s s LYS 77 Cb 0.00 -2.58 0.03 0.00 -1.68 0.00 0.00 37.83 33.59 1x5s s LYS 77 CO 0.00 0.48 0.92 -1.54 -0.76 0.00 0.00 175.35 174.45 1x5s s SER 78 N -0.32 6.47 -0.46 2.83 1.04 -1.26 -4.21 113.70 117.79 1x5s s SER 78 Ca 0.04 0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.30 1x5s s SER 78 Cb -0.13 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1x5s s SER 78 CO 0.02 -1.08 0.66 0.54 0.98 0.00 0.00 173.24 174.37 1x5s s VAL 79 N 3.78 4.81 -1.38 5.02 0.11 -1.26 -4.09 120.40 127.39 1x5s s VAL 79 Ca 0.36 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1x5s s VAL 79 Cb -0.10 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.50 1x5s s VAL 79 CO 0.25 -0.67 0.02 0.47 -3.33 0.00 0.00 175.10 171.84 1x5s n ASP 80 N 6.32 -4.84 -0.45 3.54 9.92 -1.26 -3.03 116.55 126.75 1x5s n ASP 80 Ca -0.02 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1x5s n ASP 80 Cb 0.47 -3.95 0.00 0.00 -0.64 0.00 0.00 41.12 37.01 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5s n GLY 81 N -1.03 0.84 3.02 0.44 0.00 -1.26 -5.09 105.19 102.12 1x5s n GLY 81 Ca -0.19 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.45 0.94 -1.91 1.61 5.12 -1.17 -5.07 116.66 115.72 1x5s n ARG 82 Ca 0.00 -2.96 -0.02 0.00 -1.93 0.00 0.00 57.85 52.93 1x5s n ARG 82 Cb 0.36 0.64 0.06 0.00 -1.16 0.00 0.00 32.46 32.37 1x5s n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x5s n GLN 83 N -1.21 1.56 -1.48 5.56 10.64 -1.26 -4.11 117.38 127.08 1x5s n GLN 83 Ca -0.12 -3.16 -0.31 0.00 -1.83 0.00 0.00 57.00 51.58 1x5s n GLN 83 Cb 0.52 -1.26 0.06 0.00 -0.86 0.00 0.00 30.24 28.70 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1x5s s ILE 84 N -2.74 3.78 0.23 -0.39 -4.36 -1.26 -4.95 121.20 111.52 1x5s s ILE 84 Ca 0.36 0.58 0.05 0.00 -0.26 0.00 0.00 60.65 61.38 1x5s s ILE 84 Cb 0.37 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 40.78 1x5s s ILE 84 CO -0.07 -0.76 -0.06 -0.13 0.24 0.00 0.00 174.94 174.17 1x5s s ARG 85 N -5.01 1.37 -0.07 0.37 0.52 -1.14 -3.62 118.95 111.36 1x5s s ARG 85 Ca 0.59 -1.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1x5s s ARG 85 Cb -0.15 -0.87 0.03 0.00 0.52 0.00 0.00 34.95 34.47 1x5s s ARG 85 CO 0.55 0.02 -0.01 0.08 0.02 0.00 0.00 175.30 175.96 1x5s s VAL 86 N -3.20 0.42 0.15 3.52 1.01 -1.26 -3.20 120.40 117.84 1x5s s VAL 86 Ca 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1x5s s VAL 86 Cb 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1x5s s VAL 86 CO 0.08 0.26 0.12 -1.81 0.00 0.00 0.00 175.10 173.75 1x5s s ASP 87 N 1.82 0.22 -0.12 3.32 1.11 -1.08 -4.30 116.67 117.65 1x5s s ASP 87 Ca 0.03 -1.18 -0.33 0.00 0.18 0.00 0.00 52.55 51.24 1x5s s ASP 87 Cb -0.12 0.35 -0.11 0.00 1.07 0.00 0.00 42.92 44.10 1x5s s ASP 87 CO -0.05 -0.79 1.95 0.00 1.18 0.00 0.00 175.17 177.47 1x5s n GLN 88 N -0.16 2.12 0.00 8.23 6.02 -1.26 -0.89 117.38 131.43 1x5s n GLN 88 Ca -0.04 0.75 -0.17 0.00 -0.01 0.00 0.00 57.00 57.53 1x5s n GLN 88 Cb 0.64 -2.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.07 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5s h ALA 89 N 10.21 0.04 -0.76 -1.58 0.00 -1.80 -3.40 119.26 121.98 1x5s h ALA 89 Ca -0.46 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.33 1x5s h ALA 89 Cb 1.27 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1x5s h ALA 89 CO 0.96 0.28 1.79 0.20 0.00 0.00 0.00 179.25 182.48 1x5s s GLY 90 N -4.09 1.15 -0.08 0.00 0.00 -1.26 -4.69 107.32 98.35 1x5s s GLY 90 Ca -0.14 -2.61 -0.20 0.00 0.00 0.00 0.00 44.72 41.76 1x5s s GLY 90 CO 0.80 2.99 0.74 0.07 0.00 0.00 0.00 173.10 177.69 1x5s h LYS 91 N 8.45 0.24 -7.31 2.90 2.10 -1.96 -3.46 116.57 117.53 1x5s h LYS 91 Ca 0.35 -0.42 -0.44 0.00 -2.00 0.00 0.00 60.65 58.15 1x5s h LYS 91 Cb 0.90 0.16 0.18 0.00 -0.90 0.00 0.00 32.23 32.57 1x5s h LYS 91 CO 1.38 1.20 0.13 -1.54 -2.00 0.00 0.00 179.45 178.62 1x5s s SER 92 N -6.93 1.71 -0.03 7.07 1.04 -1.26 -5.05 113.70 110.24 1x5s s SER 92 Ca -0.17 1.09 0.06 0.00 0.48 0.00 0.00 55.95 57.41 1x5s s SER 92 Cb 0.02 -1.68 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 1x5s s SER 92 CO 0.79 -3.69 -0.20 -0.55 0.98 0.00 0.00 173.24 170.57 1x5s s SER 93 N -3.36 3.58 0.28 7.02 0.15 -1.26 -5.13 113.70 114.98 1x5s s SER 93 Ca 0.67 -0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.94 1x5s s SER 93 Cb -0.18 -0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 63.47 1x5s s SER 93 CO 0.59 0.33 0.56 -1.81 1.20 0.00 0.00 173.24 174.11 1x5s s ASP 94 N -0.71 6.47 -0.23 5.45 1.01 -1.26 -5.10 116.67 122.31 1x5s s ASP 94 Ca 0.11 0.75 -0.15 0.00 0.71 0.00 0.00 52.55 53.97 1x5s s ASP 94 Cb -0.10 -2.16 0.07 0.00 1.01 0.00 0.00 42.92 41.73 1x5s s ASP 94 CO -0.00 -0.18 0.57 0.21 0.21 0.00 0.00 175.17 175.97 1x5s s ASN 95 N -3.05 -0.70 0.33 0.27 3.84 -1.26 -5.17 114.94 109.21 1x5s s ASN 95 Ca 0.45 1.21 -0.09 0.00 0.21 0.00 0.00 52.86 54.64 1x5s s ASN 95 Cb -0.11 1.13 -0.06 0.00 -0.55 0.00 0.00 41.25 41.66 1x5s s ASN 95 CO 0.29 -0.21 0.66 0.00 -2.79 0.00 0.00 177.10 175.05 1x5s s ARG 96 N 1.14 3.75 0.03 0.43 1.70 -1.26 -5.01 118.95 119.73 1x5s s ARG 96 Ca -0.07 0.30 -0.23 0.00 -0.47 0.00 0.00 55.73 55.26 1x5s s ARG 96 Cb -0.06 -2.52 -0.16 0.00 -0.57 0.00 0.00 34.95 31.64 1x5s s ARG 96 CO -0.11 0.12 1.45 0.77 -1.08 0.00 0.00 175.30 176.45 1x5s h SER 97 N 1.67 0.10 0.00 -2.89 0.02 -2.08 -3.49 113.55 106.89 1x5s h SER 97 Ca -0.47 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1x5s h SER 97 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x5s h SER 97 CO 0.65 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.35 1x5s n GLY 98 N -0.25 1.65 2.83 -3.77 0.00 -1.26 -5.14 105.19 99.25 1x5s n GLY 98 Ca -0.07 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1x5s n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5s n PRO 99 N 0.07 -2.74 -4.54 1.61 -0.04 -1.26 -5.09 135.00 123.01 1x5s n PRO 99 Ca 0.00 -1.41 -0.25 0.00 -0.04 0.00 0.00 63.50 61.79 1x5s n PRO 99 Cb 0.00 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1x5s n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5s s SER 100 N -3.89 2.97 0.24 3.54 1.04 -1.26 -5.17 113.70 111.17 1x5s s SER 100 Ca 0.57 -1.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 1x5s s SER 100 Cb -0.06 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1x5s s SER 100 CO 0.44 -0.72 0.35 -0.44 0.98 0.00 0.00 173.24 173.86 1x5s s SER 101 N -3.61 0.14 0.00 7.02 0.01 -1.26 -5.34 113.70 110.65 1x5s s SER 101 Ca 0.28 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1x5s s SER 101 Cb 0.06 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1x5s s SER 101 CO 0.14 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.34