#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 4.19 0.06 1.61 1.04 -1.26 -5.07 113.70 114.28 1x5s s SER 2 Ca 0.00 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1x5s s SER 2 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1x5s s SER 2 CO 0.00 -0.20 0.00 -0.24 0.98 0.00 0.00 173.24 173.78 1x5s n SER 3 N -0.93 0.25 0.00 7.02 2.88 -1.26 -5.16 113.62 116.41 1x5s n SER 3 Ca -0.04 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x5s n SER 3 Cb 0.62 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1x5s n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5s n GLY 4 N 2.64 -1.77 3.48 0.46 0.00 -1.26 -5.01 105.19 103.72 1x5s n GLY 4 Ca 0.00 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 1x5s n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5s n SER 5 N 0.05 -5.30 -4.55 1.61 7.64 -1.26 -4.84 113.62 106.97 1x5s n SER 5 Ca 0.00 -0.54 -0.36 0.00 1.01 0.00 0.00 58.87 58.98 1x5s n SER 5 Cb 0.00 -4.88 -0.03 0.00 -1.01 0.00 0.00 64.21 58.29 1x5s n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5s n SER 6 N -2.89 2.28 0.00 6.43 7.64 -1.26 -4.68 113.62 121.15 1x5s n SER 6 Ca -0.06 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1x5s n SER 6 Cb 0.58 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1x5s n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5s n GLY 7 N 6.02 2.74 3.41 0.23 0.00 -1.26 -4.36 105.19 111.98 1x5s n GLY 7 Ca 0.38 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.01 -0.06 1.61 1.00 -1.26 -5.05 119.30 118.55 1x5s s MET 8 Ca 0.00 -1.19 0.06 0.00 0.00 0.00 0.00 55.69 54.56 1x5s s MET 8 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 34.83 30.72 1x5s s MET 8 CO 0.00 -1.03 -0.24 0.00 0.00 0.00 0.00 175.02 173.75 1x5s s ALA 9 N 1.87 2.11 -0.14 3.03 0.00 -1.26 -5.12 121.76 122.25 1x5s s ALA 9 Ca 0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1x5s s ALA 9 Cb -0.22 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.28 1x5s s ALA 9 CO 0.08 0.40 -0.00 -1.12 0.00 0.00 0.00 175.76 175.12 1x5s s SER 10 N -0.13 2.39 0.04 0.00 0.01 -1.26 -5.10 113.70 109.64 1x5s s SER 10 Ca -0.04 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1x5s s SER 10 Cb -0.14 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1x5s s SER 10 CO 0.04 -0.23 0.05 1.51 0.41 0.00 0.00 173.24 175.02 1x5s s ASP 11 N 1.84 0.25 0.22 2.44 1.47 -1.26 -5.05 116.67 116.57 1x5s s ASP 11 Ca 0.02 -0.62 -0.09 0.00 1.18 0.00 0.00 52.55 53.04 1x5s s ASP 11 Cb -0.15 0.20 0.17 0.00 -0.34 0.00 0.00 42.92 42.81 1x5s s ASP 11 CO -0.07 -0.49 1.85 -0.33 0.68 0.00 0.00 175.17 176.80 1x5s h GLU 12 N 3.71 1.11 0.00 2.11 4.39 -1.96 -3.45 114.58 120.49 1x5s h GLU 12 Ca -0.33 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1x5s h GLU 12 Cb 1.18 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1x5s h GLU 12 CO 0.52 0.80 0.00 0.41 -1.16 0.00 0.00 179.01 179.58 1x5s n GLY 13 N -1.16 0.78 3.78 -3.84 0.00 -1.26 -3.55 105.19 99.93 1x5s n GLY 13 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 4.39 0.13 1.61 2.20 -1.26 -3.51 119.74 123.30 1x5s s LYS 14 Ca 0.00 1.44 0.10 0.00 -0.36 0.00 0.00 55.97 57.14 1x5s s LYS 14 Cb 0.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1x5s s LYS 14 CO 0.00 0.07 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.32 1x5s s LEU 15 N -2.32 2.33 -0.32 5.43 1.43 -1.02 -1.66 118.68 122.55 1x5s s LEU 15 Ca 0.54 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1x5s s LEU 15 Cb -0.21 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.01 1x5s s LEU 15 CO 0.26 0.11 0.05 0.12 0.23 0.00 0.00 176.35 177.12 1x5s s PHE 16 N -1.23 3.27 -0.10 0.29 5.36 0.77 -3.47 117.98 122.87 1x5s s PHE 16 Ca 0.12 -1.72 -0.03 0.00 -0.96 0.00 0.00 56.93 54.34 1x5s s PHE 16 Cb -0.10 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1x5s s PHE 16 CO 0.06 -0.78 0.02 0.08 -1.46 0.00 0.00 175.22 173.13 1x5s s VAL 17 N 1.31 4.42 0.24 3.12 1.01 -1.18 -2.87 120.40 126.45 1x5s s VAL 17 Ca -0.03 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1x5s s VAL 17 Cb -0.20 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1x5s s VAL 17 CO 0.00 0.59 -0.10 -0.83 0.00 0.00 0.00 175.10 174.76 1x5s s GLY 18 N -0.69 1.63 -0.93 4.51 0.00 -1.24 -2.34 107.32 108.26 1x5s s GLY 18 Ca 0.11 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1x5s s GLY 18 CO 0.02 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.94 1x5s n GLY 19 N -0.48 0.39 3.72 0.20 0.00 -0.61 -3.66 105.19 104.76 1x5s n GLY 19 Ca -0.07 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1x5s n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5s s LEU 20 N -2.64 4.38 0.30 0.99 1.43 -1.10 -4.55 118.68 117.50 1x5s s LEU 20 Ca 0.00 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.05 1x5s s LEU 20 Cb 0.00 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.52 1x5s s LEU 20 CO 0.00 -0.56 1.47 -0.55 0.23 0.00 0.00 176.35 176.94 1x5s s SER 21 N 0.91 6.52 0.31 2.29 0.15 -1.26 -4.77 113.70 117.85 1x5s s SER 21 Ca 0.61 2.84 0.04 0.00 0.70 0.00 0.00 55.95 60.14 1x5s s SER 21 Cb -0.34 -2.64 0.81 0.00 -1.71 0.00 0.00 66.02 62.14 1x5s s SER 21 CO 0.31 -0.78 1.60 2.19 1.20 0.00 0.00 173.24 177.77 1x5s h PHE 22 N 4.26 0.22 -0.93 3.44 -0.00 -1.96 0.81 116.94 122.78 1x5s h PHE 22 Ca -0.48 0.06 0.16 0.00 -0.00 0.00 0.00 57.97 57.71 1x5s h PHE 22 Cb 1.22 0.06 -0.10 0.00 -0.00 0.00 0.00 35.95 37.13 1x5s h PHE 22 CO 0.57 -0.35 0.53 0.22 -0.00 0.00 0.00 178.31 179.28 1x5s h ASP 23 N 0.08 0.69 -1.75 -0.68 3.58 -2.03 -3.41 116.42 112.90 1x5s h ASP 23 Ca 0.61 0.09 -0.69 0.00 0.42 0.00 0.00 57.03 57.46 1x5s h ASP 23 Cb 1.32 -0.03 0.02 0.00 1.72 0.00 0.00 39.33 42.36 1x5s h ASP 23 CO -0.80 0.28 0.88 0.41 -2.88 0.00 0.00 179.24 177.13 1x5s n THR 24 N -4.79 0.31 -4.45 2.25 -1.04 0.28 -4.94 114.28 101.89 1x5s n THR 24 Ca 0.20 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.93 1x5s n THR 24 Cb 0.48 -1.36 -0.10 0.00 -1.82 0.00 0.00 70.33 67.53 1x5s n THR 24 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1x5s s ASN 25 N 3.03 2.70 0.44 8.00 -0.87 -1.26 -4.91 114.94 122.06 1x5s s ASN 25 Ca 0.93 -1.27 0.31 0.00 -1.57 0.00 0.00 52.86 51.26 1x5s s ASN 25 Cb -0.92 -0.15 1.46 0.00 -0.02 0.00 0.00 41.25 41.61 1x5s s ASN 25 CO 0.57 -0.45 1.60 -0.33 -2.57 0.00 0.00 177.10 175.92 1x5s h GLU 26 N 2.18 0.04 0.13 -0.60 3.07 -1.94 0.16 114.58 117.62 1x5s h GLU 26 Ca -0.41 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.45 1x5s h GLU 26 Cb 1.24 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1x5s h GLU 26 CO 0.69 0.03 -0.06 0.37 -1.40 0.00 0.00 179.01 178.64 1x5s h GLN 27 N 0.04 -0.17 -0.58 2.33 4.15 -1.97 -3.18 115.11 115.73 1x5s h GLN 27 Ca 0.85 0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.34 1x5s h GLN 27 Cb 2.72 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 30.37 1x5s h GLN 27 CO -0.45 0.23 -0.41 1.03 -1.93 0.00 0.00 178.83 177.30 1x5s h SER 28 N -0.94 -1.47 -0.73 -0.69 0.87 -1.07 0.27 113.55 109.78 1x5s h SER 28 Ca -0.02 0.22 0.16 0.00 -1.23 0.00 0.00 61.79 60.91 1x5s h SER 28 Cb 0.48 0.64 -0.13 0.00 -0.44 0.00 0.00 62.40 62.95 1x5s h SER 28 CO 0.03 -0.20 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.98 1x5s h LEU 29 N -0.08 -0.49 -1.53 2.23 3.38 -1.54 0.62 115.31 117.88 1x5s h LEU 29 Ca 0.09 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1x5s h LEU 29 Cb 0.33 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1x5s h LEU 29 CO -0.59 -0.20 0.20 -0.08 0.09 0.00 0.00 178.44 177.85 1x5s h GLU 30 N 0.05 0.51 -0.11 1.13 4.81 -0.78 0.64 114.58 120.83 1x5s h GLU 30 Ca 0.38 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.36 1x5s h GLU 30 Cb 0.62 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1x5s h GLU 30 CO -0.69 0.38 -0.75 1.96 -0.73 0.00 0.00 179.01 179.18 1x5s h GLN 31 N 0.52 0.57 0.10 1.92 1.08 0.33 -2.80 115.11 116.83 1x5s h GLN 31 Ca 0.14 -0.47 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1x5s h GLN 31 Cb 0.02 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1x5s h GLN 31 CO -0.02 1.09 -0.05 0.28 -0.95 0.00 0.00 178.83 179.18 1x5s h VAL 32 N 0.39 0.00 -0.11 -0.54 2.07 0.03 -3.25 116.25 114.85 1x5s h VAL 32 Ca -0.04 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1x5s h VAL 32 Cb 1.35 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1x5s h VAL 32 CO 0.14 0.00 0.59 -0.26 0.02 0.00 0.00 177.57 178.06 1x5s h PHE 33 N -0.37 0.00 -0.57 1.57 0.04 -1.05 0.37 116.94 116.93 1x5s h PHE 33 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1x5s h PHE 33 Cb 0.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1x5s h PHE 33 CO 0.05 0.00 0.24 1.03 -0.60 0.00 0.00 178.31 179.02 1x5s h SER 34 N 0.00 0.75 0.80 2.17 0.87 -1.53 0.18 113.55 116.79 1x5s h SER 34 Ca 0.05 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1x5s h SER 34 Cb 1.23 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x5s h SER 34 CO -0.00 0.67 0.00 2.29 -0.53 0.00 0.00 176.83 179.26 1x5s n LYS 35 N -4.33 0.07 -0.12 2.24 2.85 0.13 -3.43 118.16 115.56 1x5s n LYS 35 Ca 0.05 0.06 -0.17 0.00 -1.05 0.00 0.00 58.31 57.20 1x5s n LYS 35 Cb 0.16 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.91 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 -1.46 0.00 -1.91 5.58 4.02 -0.35 -5.10 117.16 117.95 1x5s n TYR 36 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1x5s n TYR 36 Cb 0.28 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 38.61 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 2.21 1.98 3.91 2.72 0.00 0.50 -4.80 105.19 111.71 1x5s n GLY 37 Ca -0.44 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1x5s n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5s s GLN 38 N 1.62 3.62 0.08 1.61 2.00 -1.26 -4.22 119.66 123.11 1x5s s GLN 38 Ca 0.00 -0.01 0.03 0.00 -2.00 0.00 0.00 55.36 53.38 1x5s s GLN 38 Cb 0.00 -2.63 -0.03 0.00 0.80 0.00 0.00 33.01 31.15 1x5s s GLN 38 CO 0.00 0.18 -0.08 0.42 -0.50 0.00 0.00 175.29 175.31 1x5s s ILE 39 N -2.14 0.75 0.00 -2.34 1.01 -1.26 -4.65 121.20 112.56 1x5s s ILE 39 Ca 0.44 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1x5s s ILE 39 Cb -0.11 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1x5s s ILE 39 CO 0.31 -0.60 0.00 -0.24 0.00 0.00 0.00 174.94 174.41 1x5s n SER 40 N 0.64 2.67 -3.58 3.58 2.88 0.64 -4.60 113.62 115.85 1x5s n SER 40 Ca -0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.29 1x5s n SER 40 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.91 0.51 0.14 -1.46 2.12 -1.11 -4.95 118.70 112.03 1x5s s GLU 41 Ca 0.00 0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.42 1x5s s GLU 41 Cb 0.00 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 1x5s s GLU 41 CO 0.00 -0.18 -0.17 0.08 -0.54 0.00 0.00 175.26 174.45 1x5s s VAL 42 N -1.61 1.60 -0.12 3.70 1.01 -1.26 0.18 120.40 123.91 1x5s s VAL 42 Ca 0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1x5s s VAL 42 Cb -0.01 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1x5s s VAL 42 CO -0.02 -0.32 0.13 -0.69 0.00 0.00 0.00 175.10 174.19 1x5s s VAL 43 N -1.96 -0.19 -0.55 2.92 1.01 -0.06 -4.98 120.40 116.60 1x5s s VAL 43 Ca 0.11 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1x5s s VAL 43 Cb -0.06 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 36.02 1x5s s VAL 43 CO 0.05 -0.02 0.62 -0.69 0.00 0.00 0.00 175.10 175.06 1x5s s VAL 44 N 2.23 4.94 0.41 2.92 1.01 -1.26 -1.62 120.40 129.03 1x5s s VAL 44 Ca 0.04 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1x5s s VAL 44 Cb -0.14 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 1x5s s VAL 44 CO -0.07 -0.95 1.41 0.55 0.00 0.00 0.00 175.10 176.04 1x5s n VAL 45 N 5.48 2.44 -3.97 2.92 3.14 -1.03 -4.84 118.33 122.46 1x5s n VAL 45 Ca -0.10 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.70 1x5s n VAL 45 Cb 0.43 -1.82 -0.09 0.00 -1.06 0.00 0.00 33.84 31.30 1x5s n VAL 45 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1x5s s LYS 46 N -2.25 0.68 1.01 1.45 1.02 -1.26 -0.04 119.74 120.34 1x5s s LYS 46 Ca 0.58 -1.01 -0.17 0.00 0.02 0.00 0.00 55.97 55.39 1x5s s LYS 46 Cb -0.48 0.26 0.26 0.00 -0.52 0.00 0.00 37.83 37.35 1x5s s LYS 46 CO 0.60 -0.17 0.68 -3.47 -0.92 0.00 0.00 175.35 172.07 1x5s n ASP 47 N 0.24 -3.02 -0.00 2.83 2.03 -1.12 -4.83 116.55 112.67 1x5s n ASP 47 Ca -0.16 -0.74 0.05 0.00 0.52 0.00 0.00 54.79 54.46 1x5s n ASP 47 Cb 0.61 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.22 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 -4.49 0.40 -0.09 -0.67 0.63 -1.26 -3.51 116.66 107.67 1x5s n ARG 48 Ca 0.10 -0.08 -0.23 0.00 -0.92 0.00 0.00 57.85 56.72 1x5s n ARG 48 Cb 0.43 -1.21 -0.12 0.00 0.45 0.00 0.00 32.46 32.01 1x5s n ARG 48 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1x5s n GLU 49 N -1.81 0.61 0.00 -0.14 0.00 -1.26 -4.48 120.64 113.57 1x5s n GLU 49 Ca -0.02 0.48 0.11 0.00 0.00 0.00 0.00 57.16 57.73 1x5s n GLU 49 Cb 0.24 -1.71 -0.12 0.00 0.00 0.00 0.00 31.44 29.85 1x5s n GLU 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1x5s n THR 50 N -4.21 0.06 -3.98 6.31 5.66 -1.26 -4.99 114.28 111.86 1x5s n THR 50 Ca -0.35 -0.35 -0.27 0.00 -3.05 0.00 0.00 64.05 60.03 1x5s n THR 50 Cb 0.78 0.24 -0.02 0.00 -1.55 0.00 0.00 70.33 69.78 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 -2.07 -3.42 -4.38 1.09 3.00 -1.23 -4.95 117.38 105.43 1x5s n GLN 51 Ca -0.01 0.41 -0.21 0.00 -0.01 0.00 0.00 57.00 57.19 1x5s n GLN 51 Cb 0.49 -4.66 -0.10 0.00 0.00 0.00 0.00 30.24 25.97 1x5s n GLN 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1x5s s ARG 52 N -6.59 1.41 -0.37 -1.09 1.81 -1.26 -4.80 118.95 108.05 1x5s s ARG 52 Ca 0.13 -1.60 -0.33 0.00 -1.72 0.00 0.00 55.73 52.21 1x5s s ARG 52 Cb -0.07 -1.34 -0.14 0.00 -0.45 0.00 0.00 34.95 32.95 1x5s s ARG 52 CO 0.89 0.24 1.45 0.43 -0.68 0.00 0.00 175.30 177.63 1x5s n SER 53 N -0.29 0.66 -0.19 0.23 7.64 -1.26 -2.79 113.62 117.61 1x5s n SER 53 Ca -0.08 0.62 -0.10 0.00 1.01 0.00 0.00 58.87 60.32 1x5s n SER 53 Cb 0.59 -0.66 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1x5s n SER 53 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1x5s h ARG 54 N 5.70 1.04 0.00 1.43 9.65 -0.78 -3.46 114.38 127.96 1x5s h ARG 54 Ca -0.15 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1x5s h ARG 54 Cb 1.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1x5s h ARG 54 CO 0.78 1.07 0.00 0.41 2.80 0.00 0.00 179.97 185.03 1x5s n GLY 55 N -0.29 -0.16 3.52 2.80 0.00 -1.26 -5.00 105.19 104.80 1x5s n GLY 55 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.68 -0.42 0.00 1.61 -0.71 -1.26 -1.58 117.98 114.95 1x5s s PHE 56 Ca 0.00 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 1x5s s PHE 56 Cb 0.00 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1x5s s PHE 56 CO 0.00 -0.83 0.00 0.41 -1.34 0.00 0.00 175.22 173.46 1x5s n GLY 57 N -0.36 4.55 3.64 1.99 0.00 -0.99 -2.47 105.19 111.55 1x5s n GLY 57 Ca -0.12 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.73 -0.98 0.02 1.61 0.08 -0.64 -3.11 117.98 113.24 1x5s s PHE 58 Ca 0.00 1.95 0.05 0.00 0.12 0.00 0.00 56.93 59.05 1x5s s PHE 58 Cb 0.00 0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 43.00 1x5s s PHE 58 CO 0.00 -0.49 -0.13 0.08 -0.10 0.00 0.00 175.22 174.59 1x5s s VAL 59 N 1.64 3.20 -0.22 -0.44 1.01 -1.23 -0.88 120.40 123.48 1x5s s VAL 59 Ca -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1x5s s VAL 59 Cb -0.05 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1x5s s VAL 59 CO -0.19 0.37 -0.03 -0.89 0.00 0.00 0.00 175.10 174.36 1x5s s THR 60 N -0.95 3.48 -0.18 3.92 2.01 0.13 -2.43 115.64 121.61 1x5s s THR 60 Ca 0.16 -0.46 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1x5s s THR 60 Cb -0.11 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1x5s s THR 60 CO 0.06 0.42 0.28 -0.36 -0.69 0.00 0.00 174.62 174.33 1x5s s PHE 61 N 1.45 3.42 0.22 4.92 0.40 -1.23 0.23 117.98 127.39 1x5s s PHE 61 Ca 0.05 0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 1x5s s PHE 61 Cb -0.14 -2.35 0.29 0.00 0.51 0.00 0.00 43.02 41.32 1x5s s PHE 61 CO -0.02 0.17 1.64 0.93 0.70 0.00 0.00 175.22 178.64 1x5s h GLU 62 N 6.93 0.05 -5.10 0.44 4.39 -1.83 -3.36 114.58 116.10 1x5s h GLU 62 Ca -0.40 -0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.66 1x5s h GLU 62 Cb 1.16 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.64 1x5s h GLU 62 CO 0.74 0.03 -0.21 -0.80 -1.16 0.00 0.00 179.01 177.61 1x5s s ASN 63 N -5.22 6.24 0.54 1.42 -0.87 -1.26 -4.94 114.94 110.84 1x5s s ASN 63 Ca -0.14 0.02 0.34 0.00 -1.57 0.00 0.00 52.86 51.51 1x5s s ASN 63 Cb 0.20 -2.22 1.51 0.00 -0.02 0.00 0.00 41.25 40.72 1x5s s ASN 63 CO 0.74 -0.31 1.86 0.40 -2.57 0.00 0.00 177.10 177.22 1x5s h ILE 64 N 5.50 0.50 -0.03 0.60 2.04 -1.71 0.37 117.51 124.78 1x5s h ILE 64 Ca -0.30 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.33 1x5s h ILE 64 Cb 1.15 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1x5s h ILE 64 CO 0.69 0.00 -0.92 -2.24 0.00 0.00 0.00 178.15 175.68 1x5s h ASP 65 N 0.00 0.67 0.18 1.72 2.03 -1.92 -3.17 116.42 115.93 1x5s h ASP 65 Ca 0.48 -0.51 -0.04 0.00 -0.73 0.00 0.00 57.03 56.23 1x5s h ASP 65 Cb 1.91 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 40.20 1x5s h ASP 65 CO -0.01 1.30 -0.18 0.44 -1.03 0.00 0.00 179.24 179.77 1x5s h ASP 66 N 0.31 0.00 0.72 4.15 5.19 -0.64 -0.51 116.42 125.64 1x5s h ASP 66 Ca -0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1x5s h ASP 66 Cb 1.56 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.07 1x5s h ASP 66 CO 0.17 0.18 -0.35 0.00 -3.12 0.00 0.00 179.24 176.12 1x5s h ALA 67 N 1.82 -0.97 -0.09 3.45 0.00 -1.40 -1.88 119.26 120.19 1x5s h ALA 67 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1x5s h ALA 67 Cb 0.32 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x5s h ALA 67 CO 0.02 -1.02 -0.43 1.57 0.00 0.00 0.00 179.25 179.39 1x5s h LYS 68 N -1.02 0.21 -0.93 0.00 2.10 -1.61 0.93 116.57 116.26 1x5s h LYS 68 Ca -0.10 -0.10 0.03 0.00 -2.00 0.00 0.00 60.65 58.48 1x5s h LYS 68 Cb 0.75 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.03 1x5s h LYS 68 CO 0.16 0.61 0.61 -0.44 -2.00 0.00 0.00 179.45 178.39 1x5s h ASP 69 N 0.17 1.02 0.54 7.07 3.32 -0.97 -2.63 116.42 124.93 1x5s h ASP 69 Ca 0.01 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1x5s h ASP 69 Cb 0.84 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1x5s h ASP 69 CO 0.07 0.70 -1.63 0.00 -1.72 0.00 0.00 179.24 176.65 1x5s n ALA 70 N -2.39 1.74 -0.21 3.45 0.00 -0.72 -4.07 120.51 118.31 1x5s n ALA 70 Ca 0.12 -0.70 0.02 0.00 0.00 0.00 0.00 53.44 52.88 1x5s n ALA 70 Cb 0.09 -0.84 0.12 0.00 0.00 0.00 0.00 19.45 18.82 1x5s n ALA 70 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1x5s h MET 71 N 0.00 0.23 -0.26 0.00 1.85 -0.45 0.67 114.93 116.98 1x5s h MET 71 Ca -0.24 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 58.74 1x5s h MET 71 Cb 1.80 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.76 1x5s h MET 71 CO 0.06 0.15 -0.24 0.00 -0.40 0.00 0.00 176.91 176.48 1x5s h MET 72 N 0.24 0.49 0.63 0.39 -0.00 -1.69 0.80 114.93 115.79 1x5s h MET 72 Ca 0.33 -0.18 -0.03 0.00 -0.00 0.00 0.00 59.70 59.82 1x5s h MET 72 Cb 0.52 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 32.09 1x5s h MET 72 CO -0.44 0.70 -0.30 0.00 -0.00 0.00 0.00 176.91 176.86 1x5s h ALA 73 N 1.31 -0.85 0.00 -3.00 0.00 -1.08 -3.15 119.26 112.50 1x5s h ALA 73 Ca 0.07 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1x5s h ALA 73 Cb 0.65 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1x5s h ALA 73 CO 0.05 -0.93 -0.72 0.52 0.00 0.00 0.00 179.25 178.17 1x5s h MET 74 N -0.93 0.00 -5.09 0.00 2.86 -1.16 -3.44 114.93 107.17 1x5s h MET 74 Ca -0.09 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.13 1x5s h MET 74 Cb 0.68 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 1x5s h MET 74 CO 0.14 0.72 1.71 -1.71 1.06 0.00 0.00 176.91 178.83 1x5s n ASN 75 N -3.41 0.10 -0.29 1.22 4.05 0.28 0.72 115.26 117.93 1x5s n ASN 75 Ca 0.00 -0.23 0.00 0.00 0.45 0.00 0.00 54.58 54.81 1x5s n ASN 75 Cb 0.77 -0.93 0.00 0.00 1.23 0.00 0.00 39.78 40.85 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x5s n GLY 76 N 6.17 0.96 3.83 8.20 0.00 -1.25 -4.78 105.19 118.32 1x5s n GLY 76 Ca 0.62 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.79 2.28 -0.32 1.61 -0.14 0.22 -5.02 119.74 115.57 1x5s s LYS 77 Ca 0.00 -1.94 -0.01 0.00 -1.36 0.00 0.00 55.97 52.66 1x5s s LYS 77 Cb 0.00 -2.03 0.07 0.00 -1.68 0.00 0.00 37.83 34.18 1x5s s LYS 77 CO 0.00 -0.36 0.04 -1.54 -0.76 0.00 0.00 175.35 172.72 1x5s s SER 78 N -4.09 4.93 -0.74 2.83 1.04 -1.26 -3.47 113.70 112.94 1x5s s SER 78 Ca 0.35 -1.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.05 1x5s s SER 78 Cb 0.00 -1.72 0.07 0.00 0.10 0.00 0.00 66.02 64.47 1x5s s SER 78 CO 0.20 -0.32 1.10 0.54 0.98 0.00 0.00 173.24 175.74 1x5s s VAL 79 N 1.19 4.20 -1.09 5.02 0.11 -1.26 -4.02 120.40 124.56 1x5s s VAL 79 Ca -0.02 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1x5s s VAL 79 Cb -0.20 -4.78 0.01 0.00 -1.53 0.00 0.00 36.38 29.87 1x5s s VAL 79 CO -0.02 -1.60 0.87 0.47 -3.33 0.00 0.00 175.10 171.48 1x5s n ASP 80 N 8.04 -5.41 -0.91 3.54 8.00 -1.26 -3.63 116.55 124.93 1x5s n ASP 80 Ca 0.04 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1x5s n ASP 80 Cb 0.47 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 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 -1.64 0.51 2.44 0.44 0.00 -1.26 -5.10 105.19 100.58 1x5s n GLY 81 Ca -0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.91 0.72 -2.34 1.61 5.12 -1.24 -5.08 116.66 114.54 1x5s n ARG 82 Ca 0.00 -2.50 -0.04 0.00 -1.93 0.00 0.00 57.85 53.38 1x5s n ARG 82 Cb 0.43 1.30 0.05 0.00 -1.16 0.00 0.00 32.46 33.07 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 -0.68 1.82 -2.21 5.56 6.02 -1.26 -4.10 117.38 122.52 1x5s n GLN 83 Ca -0.05 -3.39 -0.33 0.00 -0.01 0.00 0.00 57.00 53.22 1x5s n GLN 83 Cb 0.44 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.22 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1x5s s ILE 84 N -3.33 3.70 -0.17 5.09 -4.36 -1.23 -4.95 121.20 115.96 1x5s s ILE 84 Ca 0.33 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.64 1x5s s ILE 84 Cb 0.35 -3.38 0.01 0.00 1.25 0.00 0.00 42.46 40.69 1x5s s ILE 84 CO -0.05 -0.37 -0.16 -0.13 0.24 0.00 0.00 174.94 174.47 1x5s s ARG 85 N -3.72 3.13 -0.42 0.37 0.52 -1.24 -3.27 118.95 114.32 1x5s s ARG 85 Ca 0.66 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 1x5s s ARG 85 Cb -0.17 -2.63 0.02 0.00 0.52 0.00 0.00 34.95 32.69 1x5s s ARG 85 CO 0.31 -0.09 0.57 0.08 0.02 0.00 0.00 175.30 176.18 1x5s s VAL 86 N 1.06 4.92 0.20 3.52 1.01 -1.26 -3.66 120.40 126.19 1x5s s VAL 86 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1x5s s VAL 86 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1x5s s VAL 86 CO -0.05 -0.50 -0.08 -1.81 0.00 0.00 0.00 175.10 172.66 1x5s s ASP 87 N 1.92 2.08 0.60 3.32 1.01 -1.14 -3.90 116.67 120.56 1x5s s ASP 87 Ca 0.19 -1.09 -0.19 0.00 0.71 0.00 0.00 52.55 52.17 1x5s s ASP 87 Cb -0.15 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1x5s s ASP 87 CO 0.17 -0.35 1.17 0.00 0.21 0.00 0.00 175.17 176.37 1x5s n GLN 88 N -0.34 1.16 -3.84 8.23 -0.00 -1.26 -0.16 117.38 121.16 1x5s n GLN 88 Ca -0.08 0.44 -0.34 0.00 -0.00 0.00 0.00 57.00 57.03 1x5s n GLN 88 Cb 0.62 -2.38 -0.12 0.00 -0.00 0.00 0.00 30.24 28.35 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x5s s ALA 89 N -1.41 3.30 -1.07 2.61 0.00 -0.67 -4.17 121.76 120.35 1x5s s ALA 89 Ca 0.77 -2.97 -0.03 0.00 0.00 0.00 0.00 51.96 49.74 1x5s s ALA 89 Cb -0.41 -2.36 0.30 0.00 0.00 0.00 0.00 23.12 20.65 1x5s s ALA 89 CO 0.45 -1.94 1.74 0.41 0.00 0.00 0.00 175.76 176.42 1x5s n GLY 90 N 3.79 5.70 2.69 0.00 0.00 -1.26 -4.64 105.19 111.47 1x5s n GLY 90 Ca 0.04 -2.56 -0.22 0.00 0.00 0.00 0.00 46.02 43.28 1x5s n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s s LYS 91 N -3.43 0.08 -0.10 1.61 1.02 -1.26 -5.05 119.74 112.61 1x5s s LYS 91 Ca 0.37 0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.44 1x5s s LYS 91 Cb 0.14 -1.28 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 1x5s s LYS 91 CO -0.04 -0.58 -0.13 0.45 -0.92 0.00 0.00 175.35 174.14 1x5s n SER 92 N 5.30 1.31 -4.12 2.83 2.88 -1.26 -4.94 113.62 115.62 1x5s n SER 92 Ca -0.06 0.54 -0.32 0.00 -1.33 0.00 0.00 58.87 57.70 1x5s n SER 92 Cb 0.49 -0.77 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 1x5s n SER 92 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5s n SER 93 N -3.97 -0.22 -0.03 -3.46 3.41 -1.26 -4.81 113.62 103.28 1x5s n SER 93 Ca -0.05 -1.10 -0.15 0.00 -0.26 0.00 0.00 58.87 57.31 1x5s n SER 93 Cb 0.19 -1.39 -0.11 0.00 -0.26 0.00 0.00 64.21 62.64 1x5s n SER 93 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1x5s h ASP 94 N -1.14 0.23 -3.52 4.04 3.58 -2.06 -3.46 116.42 114.09 1x5s h ASP 94 Ca -0.55 -0.74 -0.55 0.00 0.42 0.00 0.00 57.03 55.60 1x5s h ASP 94 Cb 1.22 -0.07 0.19 0.00 1.72 0.00 0.00 39.33 42.38 1x5s h ASP 94 CO 0.69 0.94 -0.16 -3.20 -2.88 0.00 0.00 179.24 174.63 1x5s n ASN 95 N -4.52 -0.45 0.00 2.28 2.85 -1.26 -4.95 115.26 109.21 1x5s n ASN 95 Ca -0.09 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1x5s n ASN 95 Cb 0.49 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.19 1x5s n ASN 95 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1x5s n ARG 96 N -1.45 2.67 -3.84 1.20 0.00 -1.26 -5.12 116.66 108.86 1x5s n ARG 96 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.89 1x5s n ARG 96 Cb 0.50 -0.85 -0.01 0.00 -0.00 0.00 0.00 32.46 32.11 1x5s n ARG 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1x5s s SER 97 N -2.27 -0.18 1.06 2.89 0.01 -1.26 -5.17 113.70 108.78 1x5s s SER 97 Ca 0.00 -0.70 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 1x5s s SER 97 Cb 0.00 0.71 0.10 0.00 0.21 0.00 0.00 66.02 67.04 1x5s s SER 97 CO 0.00 -1.34 -0.06 0.61 0.41 0.00 0.00 173.24 172.86 1x5s n GLY 98 N -0.49 -2.55 0.07 3.44 0.00 -1.26 -4.93 105.19 99.48 1x5s n GLY 98 Ca -0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1x5s n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5s h PRO 99 N -2.21 -0.05 -2.19 1.61 0.13 -2.06 -3.48 132.00 123.75 1x5s h PRO 99 Ca -0.40 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1x5s h PRO 99 Cb 1.12 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.10 1x5s h PRO 99 CO 0.27 0.43 0.49 0.45 -0.23 0.00 0.00 178.00 179.41 1x5s s SER 100 N -5.63 -0.37 -0.16 1.44 0.15 -1.26 -5.16 113.70 102.71 1x5s s SER 100 Ca -0.16 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1x5s s SER 100 Cb 0.02 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1x5s s SER 100 CO 0.65 -0.59 -0.21 -0.55 1.20 0.00 0.00 173.24 173.74 1x5s s SER 101 N -2.29 3.10 0.00 5.45 0.15 -1.26 -5.27 113.70 113.58 1x5s s SER 101 Ca 0.04 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1x5s s SER 101 Cb -0.01 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1x5s s SER 101 CO -0.07 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.02