#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 3.06 -0.11 1.61 0.01 -1.26 -5.03 113.70 111.98 1x5s s SER 2 Ca 0.00 0.89 -0.06 0.00 1.31 0.00 0.00 55.95 58.09 1x5s s SER 2 Cb 0.00 -1.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.79 1x5s s SER 2 CO 0.00 -2.83 0.11 0.28 0.41 0.00 0.00 173.24 171.22 1x5s h SER 3 N -1.69 0.00 0.00 2.44 0.02 -2.11 -3.48 113.55 108.73 1x5s h SER 3 Ca -0.50 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1x5s h SER 3 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1x5s h SER 3 CO 0.56 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 1x5s n GLY 4 N 1.73 1.98 2.88 -3.77 0.00 -1.26 -4.84 105.19 101.92 1x5s n GLY 4 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1x5s n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5s n SER 5 N 6.49 -4.27 -4.68 1.61 2.88 -1.26 -4.92 113.62 109.46 1x5s n SER 5 Ca 0.00 -0.39 -0.45 0.00 -1.33 0.00 0.00 58.87 56.70 1x5s n SER 5 Cb 0.00 -3.65 -0.03 0.00 -0.75 0.00 0.00 64.21 59.77 1x5s n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5s n SER 6 N -1.84 3.06 -0.12 -3.46 2.88 -1.26 -4.63 113.62 108.25 1x5s n SER 6 Ca -0.05 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1x5s n SER 6 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1x5s n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5s n GLY 7 N 2.74 -3.17 3.73 0.46 0.00 -1.26 -4.91 105.19 102.77 1x5s n GLY 7 Ca 0.14 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1x5s n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x5s s MET 8 N -5.43 4.34 -1.19 1.61 -2.45 -1.26 -4.91 119.30 110.01 1x5s s MET 8 Ca 0.00 2.10 -0.21 0.00 -1.25 0.00 0.00 55.69 56.33 1x5s s MET 8 Cb 0.00 -3.21 -0.01 0.00 1.25 0.00 0.00 34.83 32.86 1x5s s MET 8 CO 0.00 -0.37 1.81 0.00 1.05 0.00 0.00 175.02 177.51 1x5s s ALA 9 N 0.60 2.46 0.28 4.11 0.00 -1.26 -4.79 121.76 123.15 1x5s s ALA 9 Ca 0.61 -2.40 0.02 0.00 0.00 0.00 0.00 51.96 50.19 1x5s s ALA 9 Cb -0.38 -4.64 0.66 0.00 0.00 0.00 0.00 23.12 18.77 1x5s s ALA 9 CO 0.35 -4.29 1.69 1.03 0.00 0.00 0.00 175.76 174.54 1x5s h SER 10 N 9.05 0.23 -3.23 0.00 0.87 -1.96 -3.36 113.55 115.15 1x5s h SER 10 Ca 0.29 0.16 -0.66 0.00 -1.23 0.00 0.00 61.79 60.34 1x5s h SER 10 Cb 0.93 0.16 -0.31 0.00 -0.44 0.00 0.00 62.40 62.73 1x5s h SER 10 CO 1.33 -0.02 -0.80 -1.81 -0.53 0.00 0.00 176.83 175.01 1x5s s ASP 11 N -5.19 3.69 -0.03 6.23 1.11 -1.26 -4.96 116.67 116.26 1x5s s ASP 11 Ca -0.12 -0.52 -0.01 0.00 0.18 0.00 0.00 52.55 52.09 1x5s s ASP 11 Cb 0.24 -1.60 -0.01 0.00 1.07 0.00 0.00 42.92 42.62 1x5s s ASP 11 CO 0.77 0.00 -0.03 -0.62 1.18 0.00 0.00 175.17 176.48 1x5s n GLU 12 N 4.63 0.06 -0.42 8.23 1.02 -1.26 -3.93 120.64 128.97 1x5s n GLU 12 Ca -0.20 0.02 0.37 0.00 -0.02 0.00 0.00 57.16 57.34 1x5s n GLU 12 Cb 0.51 -0.82 0.71 0.00 -0.02 0.00 0.00 31.44 31.82 1x5s n GLU 12 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x5s h GLY 13 N 0.05 0.37 -5.11 0.62 0.00 -1.89 -3.38 103.07 93.73 1x5s h GLY 13 Ca -0.06 -0.05 -0.57 0.00 0.00 0.00 0.00 47.33 46.65 1x5s h GLY 13 CO -0.02 -0.08 0.41 1.25 0.00 0.00 0.00 176.54 178.10 1x5s s LYS 14 N -5.06 4.36 0.06 4.80 2.20 -1.26 -2.89 119.74 121.95 1x5s s LYS 14 Ca -0.06 1.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1x5s s LYS 14 Cb 0.25 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1x5s s LYS 14 CO 0.83 -0.27 0.16 -0.51 -0.36 0.00 0.00 175.35 175.19 1x5s s LEU 15 N 1.93 4.14 -0.33 5.43 1.43 -1.05 -1.48 118.68 128.75 1x5s s LEU 15 Ca 0.42 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1x5s s LEU 15 Cb -0.17 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.32 1x5s s LEU 15 CO 0.15 0.17 0.10 0.12 0.23 0.00 0.00 176.35 177.13 1x5s s PHE 16 N -1.45 3.21 -0.15 0.29 5.36 -0.48 -3.48 117.98 121.28 1x5s s PHE 16 Ca 0.32 -1.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.04 1x5s s PHE 16 Cb -0.13 -2.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.25 1x5s s PHE 16 CO 0.25 -0.67 -0.07 0.08 -1.46 0.00 0.00 175.22 173.35 1x5s s VAL 17 N 1.45 3.50 0.35 3.12 1.01 -1.08 -2.91 120.40 125.84 1x5s s VAL 17 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1x5s s VAL 17 Cb -0.19 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 1x5s s VAL 17 CO 0.03 0.50 -0.06 -0.83 0.00 0.00 0.00 175.10 174.74 1x5s s GLY 18 N 0.51 2.20 -0.90 4.51 0.00 -1.21 -1.10 107.32 111.33 1x5s s GLY 18 Ca -0.06 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.56 1x5s s GLY 18 CO 0.03 -2.00 0.00 0.61 0.00 0.00 0.00 173.10 171.74 1x5s n GLY 19 N -0.79 0.48 3.74 0.20 0.00 0.13 -3.49 105.19 105.46 1x5s n GLY 19 Ca -0.05 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.47 4.43 0.27 0.99 1.43 0.35 -4.44 118.68 119.24 1x5s s LEU 20 Ca 0.00 2.35 -0.29 0.00 -1.03 0.00 0.00 54.13 55.15 1x5s s LEU 20 Cb 0.00 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1x5s s LEU 20 CO 0.00 -0.46 1.02 -0.94 0.23 0.00 0.00 176.35 176.20 1x5s s SER 21 N 0.18 7.42 0.25 2.29 1.04 -1.26 -4.48 113.70 119.15 1x5s s SER 21 Ca 0.54 2.09 -0.12 0.00 0.48 0.00 0.00 55.95 58.95 1x5s s SER 21 Cb -0.35 -2.62 0.36 0.00 0.10 0.00 0.00 66.02 63.51 1x5s s SER 21 CO 0.38 -0.02 1.53 2.22 0.98 0.00 0.00 173.24 178.34 1x5s n PHE 22 N 1.24 0.21 -0.32 5.02 -1.74 -1.26 0.12 117.46 120.74 1x5s n PHE 22 Ca -0.01 1.21 0.14 0.00 -0.56 0.00 0.00 57.45 58.23 1x5s n PHE 22 Cb 0.46 -0.98 0.33 0.00 1.52 0.00 0.00 39.48 40.81 1x5s n PHE 22 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 1x5s h ASP 23 N 0.00 0.44 -1.62 5.98 3.58 -2.00 -3.40 116.42 119.40 1x5s h ASP 23 Ca 0.42 0.15 -0.69 0.00 0.42 0.00 0.00 57.03 57.32 1x5s h ASP 23 Cb 0.66 0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.82 1x5s h ASP 23 CO -1.00 0.04 1.06 0.41 -2.88 0.00 0.00 179.24 176.87 1x5s n THR 24 N -4.99 0.38 -4.61 2.25 -1.04 0.33 -4.95 114.28 101.65 1x5s n THR 24 Ca 0.23 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.05 61.86 1x5s n THR 24 Cb 0.67 -1.50 -0.09 0.00 -1.82 0.00 0.00 70.33 67.59 1x5s n THR 24 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1x5s s ASN 25 N 4.37 3.46 0.45 8.00 3.84 -1.26 -4.88 114.94 128.92 1x5s s ASN 25 Ca 0.99 -1.51 0.24 0.00 0.21 0.00 0.00 52.86 52.79 1x5s s ASN 25 Cb -0.92 0.11 1.25 0.00 -0.55 0.00 0.00 41.25 41.14 1x5s s ASN 25 CO 0.59 -0.69 1.79 -0.33 -2.79 0.00 0.00 177.10 175.67 1x5s h GLU 26 N 1.71 0.25 0.47 0.43 3.07 -1.96 -1.85 114.58 116.70 1x5s h GLU 26 Ca -0.42 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 1x5s h GLU 26 Cb 1.27 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1x5s h GLU 26 CO 0.72 0.17 -0.23 0.37 -1.40 0.00 0.00 179.01 178.65 1x5s h GLN 27 N 0.26 -0.61 -0.73 2.33 5.75 -1.97 -2.97 115.11 117.16 1x5s h GLN 27 Ca 0.56 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 59.18 1x5s h GLN 27 Cb 1.70 0.14 -0.10 0.00 1.07 0.00 0.00 27.48 30.28 1x5s h GLN 27 CO -0.19 -0.40 -0.57 0.66 -2.65 0.00 0.00 178.83 175.68 1x5s h SER 28 N -1.11 -2.00 -0.60 -0.69 4.64 -1.73 0.23 113.55 112.29 1x5s h SER 28 Ca -0.06 0.29 0.11 0.00 -0.47 0.00 0.00 61.79 61.65 1x5s h SER 28 Cb 0.48 0.86 -0.11 0.00 -0.31 0.00 0.00 62.40 63.32 1x5s h SER 28 CO 0.11 -0.31 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.36 1x5s h LEU 29 N -0.18 -1.13 -1.01 5.97 3.38 -1.52 0.40 115.31 121.23 1x5s h LEU 29 Ca 0.13 0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1x5s h LEU 29 Cb 0.50 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1x5s h LEU 29 CO -0.79 -0.30 0.66 -0.08 0.09 0.00 0.00 178.44 178.02 1x5s h GLU 30 N -0.15 1.20 -0.62 1.13 4.22 -0.87 0.71 114.58 120.20 1x5s h GLU 30 Ca 0.24 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1x5s h GLU 30 Cb 0.55 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1x5s h GLU 30 CO -0.68 0.80 0.03 1.96 -2.18 0.00 0.00 179.01 178.94 1x5s h GLN 31 N 1.24 1.07 0.00 1.92 4.20 0.25 -2.20 115.11 121.59 1x5s h GLN 31 Ca 0.41 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1x5s h GLN 31 Cb 0.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1x5s h GLN 31 CO -0.14 1.02 0.00 0.28 -0.67 0.00 0.00 178.83 179.32 1x5s n VAL 32 N -4.19 0.00 -0.53 -0.54 0.31 0.11 -3.67 118.33 109.81 1x5s n VAL 32 Ca 0.03 0.77 0.43 0.00 -0.01 0.00 0.00 64.34 65.57 1x5s n VAL 32 Cb 0.33 -1.66 0.72 0.00 -0.91 0.00 0.00 33.84 32.32 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 0.36 -0.65 3.52 -1.00 -1.02 0.72 116.94 118.87 1x5s h PHE 33 Ca 0.00 0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.91 1x5s h PHE 33 Cb 0.00 -0.08 -0.08 0.00 3.61 0.00 0.00 35.95 39.39 1x5s h PHE 33 CO 0.07 -0.19 0.23 1.03 -1.61 0.00 0.00 178.31 177.84 1x5s h SER 34 N 0.02 0.21 0.23 2.17 0.87 -1.46 0.43 113.55 116.01 1x5s h SER 34 Ca 0.89 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 61.53 1x5s h SER 34 Cb 3.05 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 65.09 1x5s h SER 34 CO -0.33 0.11 -0.05 0.11 -0.53 0.00 0.00 176.83 176.14 1x5s h LYS 35 N 0.40 0.00 0.10 2.24 1.57 0.39 -2.49 116.57 118.79 1x5s h LYS 35 Ca 0.34 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.78 1x5s h LYS 35 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1x5s h LYS 35 CO -0.35 0.05 -1.84 1.88 -0.57 0.00 0.00 179.45 178.61 1x5s h TYR 36 N 0.00 0.40 -0.02 -1.35 -1.99 -0.47 -3.50 116.97 110.04 1x5s h TYR 36 Ca -0.00 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1x5s h TYR 36 Cb 0.18 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1x5s h TYR 36 CO 0.00 1.55 0.00 0.41 -0.00 0.00 0.00 178.16 180.12 1x5s n GLY 37 N 1.84 2.08 3.93 3.88 0.00 0.11 -4.66 105.19 112.37 1x5s n GLY 37 Ca -0.26 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 1.96 3.50 0.11 1.61 1.11 -1.26 -4.05 119.66 122.64 1x5s s GLN 38 Ca 0.00 -0.40 0.04 0.00 0.01 0.00 0.00 55.36 55.01 1x5s s GLN 38 Cb 0.00 -2.89 -0.04 0.00 -1.01 0.00 0.00 33.01 29.07 1x5s s GLN 38 CO 0.00 0.46 -0.10 0.42 0.01 0.00 0.00 175.29 176.07 1x5s s ILE 39 N -1.78 1.00 0.00 1.08 1.01 -1.26 -4.72 121.20 116.53 1x5s s ILE 39 Ca 0.37 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1x5s s ILE 39 Cb -0.11 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1x5s s ILE 39 CO 0.28 -0.58 0.00 -1.54 0.00 0.00 0.00 174.94 173.11 1x5s n SER 40 N 0.44 1.42 -3.47 3.58 3.41 0.42 -4.71 113.62 114.71 1x5s n SER 40 Ca -0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.33 1x5s n SER 40 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1x5s s GLU 41 N -1.95 1.11 0.09 4.33 2.56 -1.06 -4.98 118.70 118.80 1x5s s GLU 41 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.97 54.80 1x5s s GLU 41 Cb 0.00 0.52 -0.03 0.00 2.00 0.00 0.00 34.13 36.61 1x5s s GLU 41 CO 0.00 -0.45 -0.14 0.08 -0.56 0.00 0.00 175.26 174.19 1x5s s VAL 42 N -2.86 1.19 -0.14 3.70 1.01 -1.26 -0.04 120.40 122.01 1x5s s VAL 42 Ca -0.02 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.47 1x5s s VAL 42 Cb -0.01 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1x5s s VAL 42 CO -0.06 -0.30 0.05 -0.69 0.00 0.00 0.00 175.10 174.10 1x5s s VAL 43 N -1.62 0.21 -0.51 2.92 1.01 0.09 -5.00 120.40 117.50 1x5s s VAL 43 Ca 0.02 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1x5s s VAL 43 Cb -0.08 -0.65 0.08 0.00 0.00 0.00 0.00 36.38 35.73 1x5s s VAL 43 CO 0.02 -0.07 0.50 -0.69 0.00 0.00 0.00 175.10 174.86 1x5s s VAL 44 N 2.02 5.10 0.35 2.92 1.01 -1.26 -1.75 120.40 128.78 1x5s s VAL 44 Ca 0.02 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1x5s s VAL 44 Cb -0.15 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 1x5s s VAL 44 CO -0.07 -0.74 1.53 0.54 0.00 0.00 0.00 175.10 176.36 1x5s s VAL 45 N 1.97 2.03 0.20 2.92 0.11 -1.18 -4.94 120.40 121.51 1x5s s VAL 45 Ca 0.07 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1x5s s VAL 45 Cb -0.24 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1x5s s VAL 45 CO 0.07 0.01 0.20 -0.54 -3.33 0.00 0.00 175.10 171.50 1x5s s LYS 46 N -1.56 1.22 0.95 1.54 1.02 -1.26 -2.02 119.74 119.63 1x5s s LYS 46 Ca 0.56 -1.49 -0.15 0.00 0.02 0.00 0.00 55.97 54.92 1x5s s LYS 46 Cb -0.47 0.31 0.17 0.00 -0.52 0.00 0.00 37.83 37.32 1x5s s LYS 46 CO 0.58 -0.42 1.21 0.34 -0.92 0.00 0.00 175.35 176.14 1x5s s ASP 47 N -3.10 3.17 -0.01 2.83 2.15 -1.18 -4.86 116.67 115.66 1x5s s ASP 47 Ca 0.32 0.63 0.20 0.00 0.43 0.00 0.00 52.55 54.13 1x5s s ASP 47 Cb 0.05 -0.95 -0.26 0.00 -0.30 0.00 0.00 42.92 41.46 1x5s s ASP 47 CO 0.09 -2.73 0.68 0.54 -0.17 0.00 0.00 175.17 173.58 1x5s n ARG 48 N -3.83 0.51 -0.08 4.34 5.12 -1.26 -2.97 116.66 118.48 1x5s n ARG 48 Ca 0.11 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 1x5s n ARG 48 Cb 0.60 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 30.37 1x5s n ARG 48 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1x5s n GLU 49 N -1.79 0.39 0.01 5.56 2.13 -1.26 -4.68 120.64 121.01 1x5s n GLU 49 Ca 0.01 0.11 0.08 0.00 0.66 0.00 0.00 57.16 58.02 1x5s n GLU 49 Cb 0.41 -1.25 -0.12 0.00 0.27 0.00 0.00 31.44 30.74 1x5s n GLU 49 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5s n THR 50 N -3.23 0.37 -3.32 6.31 -2.24 -1.26 -4.98 114.28 105.94 1x5s n THR 50 Ca -0.30 -0.56 -0.23 0.00 -2.27 0.00 0.00 64.05 60.68 1x5s n THR 50 Cb 0.78 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.45 -3.77 -4.50 -0.78 3.00 -1.16 -4.89 117.38 102.83 1x5s n GLN 51 Ca -0.07 0.56 -0.34 0.00 -0.01 0.00 0.00 57.00 57.15 1x5s n GLN 51 Cb 0.65 -5.31 -0.10 0.00 0.00 0.00 0.00 30.24 25.47 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1x5s s ARG 52 N -5.97 2.81 -0.38 -1.09 6.06 -1.26 -4.66 118.95 114.45 1x5s s ARG 52 Ca 0.39 -0.52 -0.42 0.00 -2.50 0.00 0.00 55.73 52.69 1x5s s ARG 52 Cb -0.20 -2.66 -0.17 0.00 0.06 0.00 0.00 34.95 31.99 1x5s s ARG 52 CO 0.48 0.67 1.85 0.43 -2.50 0.00 0.00 175.30 176.23 1x5s n SER 53 N 2.08 1.79 0.02 -2.12 7.64 -1.26 -3.09 113.62 118.68 1x5s n SER 53 Ca -0.18 0.93 0.02 0.00 1.01 0.00 0.00 58.87 60.65 1x5s n SER 53 Cb 0.53 -1.06 0.37 0.00 -1.01 0.00 0.00 64.21 63.04 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x5s h ARG 54 N 7.83 0.49 0.00 1.43 2.47 -1.75 -3.46 114.38 121.40 1x5s h ARG 54 Ca -0.36 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1x5s h ARG 54 Cb 1.35 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1x5s h ARG 54 CO 1.00 0.44 0.00 0.41 0.56 0.00 0.00 179.97 182.37 1x5s n GLY 55 N -1.16 1.02 3.49 0.04 0.00 -1.26 -4.98 105.19 102.33 1x5s n GLY 55 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.02 -0.46 0.00 1.61 -0.71 -1.26 0.19 117.98 116.33 1x5s s PHE 56 Ca 0.00 0.24 0.00 0.00 -1.04 0.00 0.00 56.93 56.13 1x5s s PHE 56 Cb 0.00 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 1x5s s PHE 56 CO 0.00 -0.82 0.00 0.41 -1.34 0.00 0.00 175.22 173.47 1x5s n GLY 57 N -0.36 3.74 3.63 1.99 0.00 -0.26 -3.08 105.19 110.85 1x5s n GLY 57 Ca -0.14 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.48 -0.93 -0.11 1.61 0.40 -0.72 -2.64 117.98 113.11 1x5s s PHE 58 Ca 0.00 1.82 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1x5s s PHE 58 Cb 0.00 0.56 -0.02 0.00 0.51 0.00 0.00 43.02 44.07 1x5s s PHE 58 CO 0.00 -0.46 -0.14 0.08 0.70 0.00 0.00 175.22 175.40 1x5s s VAL 59 N 1.68 2.99 -0.22 -0.44 1.01 -1.23 -0.73 120.40 123.47 1x5s s VAL 59 Ca -0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1x5s s VAL 59 Cb -0.05 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1x5s s VAL 59 CO -0.18 0.54 0.33 -0.89 0.00 0.00 0.00 175.10 174.90 1x5s s THR 60 N 0.16 5.24 -0.19 3.92 2.01 0.95 -2.54 115.64 125.18 1x5s s THR 60 Ca -0.07 0.56 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 1x5s s THR 60 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1x5s s THR 60 CO 0.05 0.27 0.14 -0.36 -0.69 0.00 0.00 174.62 174.03 1x5s s PHE 61 N 1.29 3.42 0.21 4.92 0.40 -1.14 -0.44 117.98 126.65 1x5s s PHE 61 Ca 0.16 0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 56.71 1x5s s PHE 61 Cb -0.14 -2.15 0.26 0.00 0.51 0.00 0.00 43.02 41.49 1x5s s PHE 61 CO 0.07 0.32 1.65 0.93 0.70 0.00 0.00 175.22 178.89 1x5s h GLU 62 N 6.56 0.05 -5.02 0.44 5.08 -1.84 -3.37 114.58 116.48 1x5s h GLU 62 Ca -0.42 -0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.31 1x5s h GLU 62 Cb 1.16 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 1x5s h GLU 62 CO 0.75 0.03 -0.54 1.21 -1.00 0.00 0.00 179.01 179.46 1x5s s ASN 63 N -5.23 5.85 0.18 1.42 2.47 -1.26 -5.00 114.94 113.38 1x5s s ASN 63 Ca -0.14 0.01 -0.21 0.00 0.42 0.00 0.00 52.86 52.94 1x5s s ASN 63 Cb 0.19 -2.06 0.10 0.00 -1.45 0.00 0.00 41.25 38.03 1x5s s ASN 63 CO 0.73 0.02 1.60 0.40 -3.72 0.00 0.00 177.10 176.14 1x5s h ILE 64 N 5.22 0.26 -0.20 -5.21 2.04 -1.96 -2.40 117.51 115.26 1x5s h ILE 64 Ca -0.37 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1x5s h ILE 64 Cb 1.18 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1x5s h ILE 64 CO 0.61 0.00 -0.35 -0.78 0.00 0.00 0.00 178.15 177.63 1x5s h ASP 65 N -0.18 -1.15 -0.94 1.72 3.58 -1.94 -1.55 116.42 115.95 1x5s h ASP 65 Ca 0.21 0.15 0.16 0.00 0.42 0.00 0.00 57.03 57.97 1x5s h ASP 65 Cb 0.52 0.46 -0.16 0.00 1.72 0.00 0.00 39.33 41.87 1x5s h ASP 65 CO -0.58 -0.27 -0.31 -0.67 -2.88 0.00 0.00 179.24 174.53 1x5s n ASP 66 N -4.38 -0.50 -0.33 2.28 -0.08 -0.93 0.76 116.55 113.37 1x5s n ASP 66 Ca -0.03 1.64 0.17 0.00 -1.51 0.00 0.00 54.79 55.06 1x5s n ASP 66 Cb 0.22 -0.43 0.34 0.00 2.34 0.00 0.00 41.12 43.59 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x5s h ALA 67 N 1.55 1.35 -0.06 -1.67 0.00 -0.94 0.26 119.26 119.74 1x5s h ALA 67 Ca 0.38 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.53 1x5s h ALA 67 Cb 0.62 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1x5s h ALA 67 CO -0.95 -0.61 -0.24 0.87 0.00 0.00 0.00 179.25 178.31 1x5s h LYS 68 N 0.04 0.28 -1.06 0.00 1.57 0.42 -0.15 116.57 117.66 1x5s h LYS 68 Ca 0.63 -0.21 0.28 0.00 -1.87 0.00 0.00 60.65 59.48 1x5s h LYS 68 Cb 1.37 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.62 1x5s h LYS 68 CO -0.85 0.85 0.69 -0.44 -0.57 0.00 0.00 179.45 179.12 1x5s h ASP 69 N -0.23 0.42 0.49 0.86 5.19 0.33 0.16 116.42 123.63 1x5s h ASP 69 Ca -0.01 0.09 -0.29 0.00 -0.62 0.00 0.00 57.03 56.20 1x5s h ASP 69 Cb 0.88 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.36 1x5s h ASP 69 CO 0.05 0.06 -1.71 0.00 -3.12 0.00 0.00 179.24 174.52 1x5s n ALA 70 N -2.48 1.51 -0.20 3.45 0.00 -0.32 -3.69 120.51 118.78 1x5s n ALA 70 Ca 0.26 -0.77 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 1x5s n ALA 70 Cb 0.93 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 0.60 -0.41 0.00 -1.53 0.12 0.80 114.93 114.51 1x5s h MET 71 Ca -0.29 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 55.79 1x5s h MET 71 Cb 2.01 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 32.91 1x5s h MET 71 CO 0.08 0.40 -0.33 0.52 0.14 0.00 0.00 176.91 177.71 1x5s h MET 72 N 0.62 0.95 -0.02 0.39 2.86 -1.42 0.75 114.93 119.05 1x5s h MET 72 Ca 0.25 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1x5s h MET 72 Cb 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1x5s h MET 72 CO -0.15 1.13 0.01 0.00 1.06 0.00 0.00 176.91 178.96 1x5s h ALA 73 N 0.82 0.02 0.00 6.32 0.00 -1.51 -2.95 119.26 121.97 1x5s h ALA 73 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1x5s h ALA 73 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1x5s h ALA 73 CO 0.09 -0.42 -0.40 0.52 0.00 0.00 0.00 179.25 179.04 1x5s h MET 74 N -0.08 0.00 -5.16 0.00 2.86 -0.87 -3.43 114.93 108.25 1x5s h MET 74 Ca 0.01 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1x5s h MET 74 Cb 0.11 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1x5s h MET 74 CO -0.00 0.37 1.31 -1.71 1.06 0.00 0.00 176.91 177.94 1x5s n ASN 75 N -3.18 0.09 -0.11 1.22 5.15 0.26 0.65 115.26 119.33 1x5s n ASN 75 Ca 0.02 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 1x5s n ASN 75 Cb 0.69 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 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 6.08 1.15 3.89 8.20 0.00 -1.26 -4.83 105.19 118.42 1x5s n GLY 76 Ca 0.59 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.02 2.63 -0.32 1.61 -0.14 0.21 -5.03 119.74 116.68 1x5s s LYS 77 Ca 0.00 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.19 1x5s s LYS 77 Cb 0.00 -2.46 0.07 0.00 -1.68 0.00 0.00 37.83 33.76 1x5s s LYS 77 CO 0.00 -0.11 0.02 -1.54 -0.76 0.00 0.00 175.35 172.96 1x5s s SER 78 N -4.12 4.85 -0.64 2.83 1.04 -1.26 -3.69 113.70 112.71 1x5s s SER 78 Ca 0.47 -1.59 -0.21 0.00 0.48 0.00 0.00 55.95 55.10 1x5s s SER 78 Cb -0.05 -1.69 0.09 0.00 0.10 0.00 0.00 66.02 64.48 1x5s s SER 78 CO 0.28 -0.32 0.84 0.54 0.98 0.00 0.00 173.24 175.57 1x5s s VAL 79 N 1.14 4.59 -0.62 5.02 0.11 -1.26 -4.16 120.40 125.22 1x5s s VAL 79 Ca -0.01 -0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1x5s s VAL 79 Cb -0.20 -4.59 0.00 0.00 -1.53 0.00 0.00 36.38 30.06 1x5s s VAL 79 CO -0.04 -1.30 0.54 0.47 -3.33 0.00 0.00 175.10 171.44 1x5s n ASP 80 N 6.97 -3.75 -1.92 3.54 8.00 -1.26 -3.70 116.55 124.43 1x5s n ASP 80 Ca -0.05 -0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.11 1x5s n ASP 80 Cb 0.44 -2.61 0.04 0.00 -0.02 0.00 0.00 41.12 38.96 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 -1.18 0.18 1.85 0.44 0.00 -1.26 -5.06 105.19 100.16 1x5s n GLY 81 Ca -0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.28 1.35 -2.07 1.61 5.12 -1.24 -5.08 116.66 114.07 1x5s n ARG 82 Ca -0.08 -1.88 -0.03 0.00 -1.93 0.00 0.00 57.85 53.92 1x5s n ARG 82 Cb 0.56 0.52 0.06 0.00 -1.16 0.00 0.00 32.46 32.44 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 -0.64 1.66 -1.70 5.56 10.64 -1.26 -4.35 117.38 127.29 1x5s n GLN 83 Ca -0.10 -3.24 -0.32 0.00 -1.83 0.00 0.00 57.00 51.51 1x5s n GLN 83 Cb 0.33 -1.34 0.04 0.00 -0.86 0.00 0.00 30.24 28.41 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 -2.95 3.84 0.01 -0.39 -4.36 -1.24 -4.86 121.20 111.25 1x5s s ILE 84 Ca 0.35 0.70 0.02 0.00 -0.26 0.00 0.00 60.65 61.46 1x5s s ILE 84 Cb 0.36 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 1x5s s ILE 84 CO -0.06 -0.69 -0.08 -0.60 0.24 0.00 0.00 174.94 173.76 1x5s s ARG 85 N -4.66 0.61 -0.11 0.37 3.52 -1.23 -3.47 118.95 113.97 1x5s s ARG 85 Ca 0.61 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 1x5s s ARG 85 Cb -0.15 -0.56 -0.03 0.00 -1.56 0.00 0.00 34.95 32.64 1x5s s ARG 85 CO 0.48 0.15 -0.02 0.08 -0.81 0.00 0.00 175.30 175.18 1x5s s VAL 86 N -0.41 4.10 0.27 7.11 1.01 -1.26 -3.33 120.40 127.90 1x5s s VAL 86 Ca 0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1x5s s VAL 86 Cb -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1x5s s VAL 86 CO -0.00 0.55 0.52 -0.62 0.00 0.00 0.00 175.10 175.55 1x5s s ASP 87 N -0.34 -0.00 -0.25 3.32 2.15 -1.14 -4.34 116.67 116.08 1x5s s ASP 87 Ca 0.06 -0.97 -0.29 0.00 0.43 0.00 0.00 52.55 51.79 1x5s s ASP 87 Cb -0.12 0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1x5s s ASP 87 CO 0.02 -1.21 1.78 -1.10 -0.17 0.00 0.00 175.17 174.49 1x5s s GLN 88 N -3.80 3.56 -0.68 4.34 -0.21 -1.26 -1.38 119.66 120.21 1x5s s GLN 88 Ca 0.22 1.67 -0.23 0.00 0.02 0.00 0.00 55.36 57.04 1x5s s GLN 88 Cb -0.01 -4.15 0.07 0.00 1.00 0.00 0.00 33.01 29.92 1x5s s GLN 88 CO 0.10 -1.59 1.01 0.00 -2.12 0.00 0.00 175.29 172.69 1x5s s ALA 89 N 6.19 3.08 -0.46 6.09 0.00 -0.55 -4.79 121.76 131.32 1x5s s ALA 89 Ca 0.79 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 1x5s s ALA 89 Cb -0.26 -3.92 0.08 0.00 0.00 0.00 0.00 23.12 19.02 1x5s s ALA 89 CO 0.33 -2.85 0.36 0.20 0.00 0.00 0.00 175.76 173.79 1x5s s GLY 90 N 3.71 2.03 -0.59 0.00 0.00 -1.25 -4.48 107.32 106.73 1x5s s GLY 90 Ca 0.24 -2.17 0.01 0.00 0.00 0.00 0.00 44.72 42.80 1x5s s GLY 90 CO 0.10 1.04 0.37 1.25 0.00 0.00 0.00 173.10 175.85 1x5s s LYS 91 N 1.56 2.29 0.93 2.90 2.20 -1.26 -4.98 119.74 123.38 1x5s s LYS 91 Ca 0.04 -2.68 -0.10 0.00 -0.36 0.00 0.00 55.97 52.86 1x5s s LYS 91 Cb -0.24 -3.51 0.15 0.00 -1.51 0.00 0.00 37.83 32.72 1x5s s LYS 91 CO 0.05 -1.15 1.14 -1.12 -0.36 0.00 0.00 175.35 173.90 1x5s s SER 92 N -0.04 2.81 -0.30 1.43 0.01 -1.26 -4.87 113.70 111.48 1x5s s SER 92 Ca 0.18 2.15 -0.13 0.00 1.31 0.00 0.00 55.95 59.45 1x5s s SER 92 Cb -0.22 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.62 1x5s s SER 92 CO -0.03 -3.17 0.91 -0.94 0.41 0.00 0.00 173.24 170.42 1x5s s SER 93 N -2.67 -0.72 0.59 2.44 1.04 -1.26 -5.16 113.70 107.97 1x5s s SER 93 Ca 0.67 0.93 -0.19 0.00 0.48 0.00 0.00 55.95 57.84 1x5s s SER 93 Cb -0.23 1.80 -0.04 0.00 0.10 0.00 0.00 66.02 67.65 1x5s s SER 93 CO 0.58 -0.14 1.10 -0.67 0.98 0.00 0.00 173.24 175.09 1x5s n ASP 94 N 5.12 1.37 -4.77 7.02 2.03 -1.26 -5.01 116.55 121.05 1x5s n ASP 94 Ca -0.09 0.85 -0.23 0.00 0.52 0.00 0.00 54.79 55.84 1x5s n ASP 94 Cb 0.52 -1.45 -0.05 0.00 -0.72 0.00 0.00 41.12 39.41 1x5s n ASP 94 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1x5s s ASN 95 N -1.20 5.28 -1.02 1.67 3.04 -1.26 -5.04 114.94 116.42 1x5s s ASN 95 Ca 0.76 -0.32 -0.23 0.00 0.04 0.00 0.00 52.86 53.11 1x5s s ASN 95 Cb -0.42 -1.28 0.02 0.00 -1.54 0.00 0.00 41.25 38.03 1x5s s ASN 95 CO 0.46 -0.00 1.65 -0.60 -3.04 0.00 0.00 177.10 175.57 1x5s s ARG 96 N -3.63 3.26 0.04 0.43 3.52 -1.26 -4.97 118.95 116.34 1x5s s ARG 96 Ca 0.32 -0.96 -0.22 0.00 -0.13 0.00 0.00 55.73 54.74 1x5s s ARG 96 Cb -0.08 -5.28 -0.06 0.00 -1.56 0.00 0.00 34.95 27.97 1x5s s ARG 96 CO 0.23 -2.66 0.67 -1.54 -0.81 0.00 0.00 175.30 171.20 1x5s s SER 97 N 5.90 7.12 -0.24 -2.12 1.04 -1.26 -5.05 113.70 119.09 1x5s s SER 97 Ca 0.55 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 58.28 1x5s s SER 97 Cb -0.02 -2.42 0.13 0.00 0.10 0.00 0.00 66.02 63.82 1x5s s SER 97 CO -0.04 0.11 0.36 -0.83 0.98 0.00 0.00 173.24 173.81 1x5s s GLY 98 N -0.37 -0.36 0.82 7.32 0.00 -1.26 -5.16 107.32 108.32 1x5s s GLY 98 Ca 0.34 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 1x5s s GLY 98 CO 0.20 2.60 1.09 2.56 0.00 0.00 0.00 173.10 179.55 1x5s s PRO 99 N 2.52 1.86 0.23 2.90 0.04 -1.26 -5.08 135.00 136.22 1x5s s PRO 99 Ca 0.12 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1x5s s PRO 99 Cb -0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1x5s s PRO 99 CO -0.15 -1.88 -0.13 0.45 0.04 0.00 0.00 177.00 175.32 1x5s s SER 100 N -3.40 2.80 -0.18 6.66 0.15 -1.26 -5.09 113.70 113.38 1x5s s SER 100 Ca 0.62 -1.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.06 1x5s s SER 100 Cb -0.17 -0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 63.90 1x5s s SER 100 CO 0.56 -0.17 -0.27 -0.24 1.20 0.00 0.00 173.24 174.32 1x5s n SER 101 N -0.47 1.89 0.00 5.45 2.88 -1.26 -5.38 113.62 116.74 1x5s n SER 101 Ca -0.07 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1x5s n SER 101 Cb 0.61 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1x5s n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42