#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 -3.94 -3.67 1.61 2.88 -1.26 -5.03 113.62 104.21 1x5s n SER 2 Ca 0.00 -0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.09 1x5s n SER 2 Cb 0.00 -3.30 -0.04 0.00 -0.75 0.00 0.00 64.21 60.12 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 -3.38 -0.28 0.00 -3.46 1.04 -1.26 -5.01 113.70 101.36 1x5s s SER 3 Ca 0.26 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1x5s s SER 3 Cb -0.11 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x5s s SER 3 CO 0.45 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1x5s n GLY 4 N -0.30 3.73 3.28 7.32 0.00 -1.26 -5.12 105.19 112.85 1x5s n GLY 4 Ca -0.13 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -2.95 -4.07 1.61 2.88 -1.26 -3.67 113.62 106.17 1x5s n SER 5 Ca 0.00 -0.46 -0.28 0.00 -1.33 0.00 0.00 58.87 56.80 1x5s n SER 5 Cb 0.00 -1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 62.38 1x5s n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5s n SER 6 N -4.22 -0.72 -2.62 -3.46 7.64 -1.26 -4.84 113.62 104.14 1x5s n SER 6 Ca 0.06 -1.05 -0.34 0.00 1.01 0.00 0.00 58.87 58.56 1x5s n SER 6 Cb 0.55 -2.76 0.02 0.00 -1.01 0.00 0.00 64.21 61.00 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 -1.96 5.12 3.18 0.23 0.00 -1.24 -4.88 105.19 105.65 1x5s n GLY 7 Ca -0.23 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 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 -3.17 2.30 0.02 1.61 -2.45 -1.26 -5.06 119.30 111.28 1x5s s MET 8 Ca 0.54 -1.52 -0.28 0.00 -1.25 0.00 0.00 55.69 53.18 1x5s s MET 8 Cb 0.42 -3.48 0.08 0.00 1.25 0.00 0.00 34.83 33.09 1x5s s MET 8 CO -0.26 -0.87 0.70 0.00 1.05 0.00 0.00 175.02 175.64 1x5s s ALA 9 N 1.25 -1.73 0.53 4.11 0.00 -1.26 -5.16 121.76 119.50 1x5s s ALA 9 Ca 0.02 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 1x5s s ALA 9 Cb -0.22 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 1x5s s ALA 9 CO -0.01 -0.54 1.11 0.45 0.00 0.00 0.00 175.76 176.77 1x5s s SER 10 N -1.86 5.84 0.09 0.00 0.15 -1.26 -5.06 113.70 111.61 1x5s s SER 10 Ca -0.04 2.13 0.05 0.00 0.70 0.00 0.00 55.95 58.79 1x5s s SER 10 Cb -0.00 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1x5s s SER 10 CO -0.01 -1.13 -0.14 -1.81 1.20 0.00 0.00 173.24 171.35 1x5s s ASP 11 N -1.82 1.74 0.00 5.45 1.11 -1.26 -5.05 116.67 116.85 1x5s s ASP 11 Ca 0.72 -0.71 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1x5s s ASP 11 Cb -0.22 -0.05 0.00 0.00 1.07 0.00 0.00 42.92 43.72 1x5s s ASP 11 CO 0.26 -0.12 0.00 -0.62 1.18 0.00 0.00 175.17 175.86 1x5s n GLU 12 N 0.94 0.00 0.00 8.23 -0.58 -1.26 -4.96 120.64 123.01 1x5s n GLU 12 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1x5s n GLU 12 Cb 0.55 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 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 2.64 2.00 3.76 0.62 0.00 -1.26 -4.19 105.19 108.76 1x5s n GLY 13 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 4.77 0.08 1.61 2.20 -1.26 -3.33 119.74 123.80 1x5s s LYS 14 Ca 0.00 1.40 0.08 0.00 -0.36 0.00 0.00 55.97 57.09 1x5s s LYS 14 Cb 0.00 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1x5s s LYS 14 CO 0.00 0.51 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.77 1x5s s LEU 15 N -1.26 2.24 -0.38 5.43 1.43 -1.25 -3.43 118.68 121.46 1x5s s LEU 15 Ca 0.41 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 1x5s s LEU 15 Cb -0.25 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1x5s s LEU 15 CO 0.30 0.13 0.25 0.12 0.23 0.00 0.00 176.35 177.38 1x5s s PHE 16 N -0.98 3.24 -0.23 0.29 5.36 -0.05 -3.69 117.98 121.91 1x5s s PHE 16 Ca 0.08 -0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1x5s s PHE 16 Cb -0.10 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1x5s s PHE 16 CO 0.03 -0.58 -0.06 0.08 -1.46 0.00 0.00 175.22 173.23 1x5s s VAL 17 N 1.63 3.02 0.35 3.12 1.01 -0.86 -2.53 120.40 126.15 1x5s s VAL 17 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1x5s s VAL 17 Cb -0.19 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1x5s s VAL 17 CO 0.09 0.30 0.09 -0.83 0.00 0.00 0.00 175.10 174.75 1x5s s GLY 18 N 1.38 2.08 0.00 4.51 0.00 -1.19 -0.85 107.32 113.25 1x5s s GLY 18 Ca 0.03 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.80 1x5s s GLY 18 CO -0.05 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.81 1x5s n GLY 19 N -1.07 0.77 3.58 0.20 0.00 -0.83 -3.07 105.19 104.77 1x5s n GLY 19 Ca -0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 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 1.48 -4.77 0.99 4.77 0.50 -4.61 117.00 115.36 1x5s n LEU 20 Ca 0.00 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.78 1x5s n LEU 20 Cb 0.00 -1.18 0.05 0.00 -2.33 0.00 0.00 43.42 39.96 1x5s n LEU 20 CO 0.00 -1.21 0.74 -0.55 -1.33 0.00 0.00 177.39 175.04 1x5s s SER 21 N 0.26 5.05 0.47 -1.43 0.15 -1.26 -4.57 113.70 112.37 1x5s s SER 21 Ca 0.80 1.99 0.15 0.00 0.70 0.00 0.00 55.95 59.59 1x5s s SER 21 Cb -0.93 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 61.94 1x5s s SER 21 CO 0.49 -1.67 2.04 -0.26 1.20 0.00 0.00 173.24 175.04 1x5s h PHE 22 N -0.08 0.27 0.00 3.44 0.04 -1.93 -0.38 116.94 118.30 1x5s h PHE 22 Ca -0.46 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.14 1x5s h PHE 22 Cb 1.25 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 1x5s h PHE 22 CO 0.55 0.15 -0.82 0.22 -0.60 0.00 0.00 178.31 177.81 1x5s h ASP 23 N 0.27 0.00 -2.41 2.17 3.58 -2.00 -3.45 116.42 114.58 1x5s h ASP 23 Ca 0.18 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.10 1x5s h ASP 23 Cb 0.38 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.45 1x5s h ASP 23 CO -0.04 0.82 1.20 0.41 -2.88 0.00 0.00 179.24 178.75 1x5s n THR 24 N -3.44 0.65 -4.55 2.25 -1.04 -0.16 -4.98 114.28 103.00 1x5s n THR 24 Ca -0.00 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.05 61.64 1x5s n THR 24 Cb 0.82 -2.27 -0.11 0.00 -1.82 0.00 0.00 70.33 66.95 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 3.92 3.33 0.24 8.00 -0.87 -1.26 -4.79 114.94 123.51 1x5s s ASN 25 Ca 0.87 -1.36 -0.07 0.00 -1.57 0.00 0.00 52.86 50.73 1x5s s ASN 25 Cb -0.44 -0.28 0.44 0.00 -0.02 0.00 0.00 41.25 40.94 1x5s s ASN 25 CO 0.40 -0.49 1.65 -0.33 -2.57 0.00 0.00 177.10 175.76 1x5s h GLU 26 N 1.91 0.13 0.74 -0.60 5.08 -1.98 -2.02 114.58 117.85 1x5s h GLU 26 Ca -0.43 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1x5s h GLU 26 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x5s h GLU 26 CO 0.76 0.09 -0.40 0.37 -1.00 0.00 0.00 179.01 178.83 1x5s h GLN 27 N 0.14 -1.01 -0.94 2.33 4.15 -1.99 -2.82 115.11 114.96 1x5s h GLN 27 Ca 0.41 0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.98 1x5s h GLN 27 Cb 0.72 0.23 -0.11 0.00 0.21 0.00 0.00 27.48 28.53 1x5s h GLN 27 CO -0.62 -0.67 -0.56 0.43 -1.93 0.00 0.00 178.83 175.48 1x5s n SER 28 N -4.95 -1.00 -0.31 -0.69 7.64 -0.85 0.75 113.62 114.21 1x5s n SER 28 Ca -0.13 1.69 0.16 0.00 1.01 0.00 0.00 58.87 61.60 1x5s n SER 28 Cb 0.42 -0.22 0.33 0.00 -1.01 0.00 0.00 64.21 63.73 1x5s n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x5s h LEU 29 N 0.00 0.09 0.29 -3.43 3.38 -1.36 0.11 115.31 114.38 1x5s h LEU 29 Ca 0.15 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1x5s h LEU 29 Cb 0.39 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x5s h LEU 29 CO -0.89 -0.16 -0.14 -0.08 0.09 0.00 0.00 178.44 177.26 1x5s h GLU 30 N 0.22 -0.37 -0.59 1.13 4.81 0.60 0.69 114.58 121.07 1x5s h GLU 30 Ca 0.60 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.89 1x5s h GLU 30 Cb 1.25 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1x5s h GLU 30 CO -0.66 -0.24 0.39 1.96 -0.73 0.00 0.00 179.01 179.73 1x5s h GLN 31 N -0.39 0.63 0.00 1.92 1.08 0.06 -0.18 115.11 118.23 1x5s h GLN 31 Ca -0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1x5s h GLN 31 Cb 0.30 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1x5s h GLN 31 CO 0.06 0.42 0.00 0.28 -0.95 0.00 0.00 178.83 178.64 1x5s n VAL 32 N -4.47 0.00 -0.45 -0.54 0.31 0.16 -3.76 118.33 109.58 1x5s n VAL 32 Ca 0.08 0.51 0.37 0.00 -0.01 0.00 0.00 64.34 65.29 1x5s n VAL 32 Cb 0.17 -1.45 0.65 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.48 -0.80 3.52 -1.00 0.34 0.72 116.94 120.20 1x5s h PHE 33 Ca 0.00 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.90 1x5s h PHE 33 Cb 0.00 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 39.37 1x5s h PHE 33 CO 0.01 -0.17 0.44 1.03 -1.61 0.00 0.00 178.31 178.01 1x5s h SER 34 N 0.10 0.61 -0.42 2.17 0.87 -1.15 0.63 113.55 116.36 1x5s h SER 34 Ca 0.80 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 61.53 1x5s h SER 34 Cb 2.56 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 64.44 1x5s h SER 34 CO -0.37 0.34 0.30 0.11 -0.53 0.00 0.00 176.83 176.68 1x5s h LYS 35 N 0.73 0.04 0.18 2.24 1.79 0.37 -1.86 116.57 120.07 1x5s h LYS 35 Ca 0.39 -0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.59 1x5s h LYS 35 Cb 0.38 -0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1x5s h LYS 35 CO -0.26 0.03 -1.21 1.88 -1.08 0.00 0.00 179.45 178.81 1x5s h TYR 36 N 0.04 0.68 -0.30 -1.35 -1.99 -0.97 -3.50 116.97 109.58 1x5s h TYR 36 Ca 0.20 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1x5s h TYR 36 Cb 0.73 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1x5s h TYR 36 CO -0.00 1.47 0.00 0.41 -0.00 0.00 0.00 178.16 180.04 1x5s n GLY 37 N 1.72 2.74 3.90 3.88 0.00 -0.53 -4.80 105.19 112.10 1x5s n GLY 37 Ca -0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 1.61 3.65 0.11 1.61 0.74 -1.26 -4.10 119.66 122.03 1x5s s GLN 38 Ca 0.00 -0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1x5s s GLN 38 Cb 0.00 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1x5s s GLN 38 CO 0.00 0.32 -0.11 0.42 -0.55 0.00 0.00 175.29 175.37 1x5s s ILE 39 N -1.90 1.05 0.00 -2.34 1.01 -1.26 -4.53 121.20 113.23 1x5s s ILE 39 Ca 0.43 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1x5s s ILE 39 Cb -0.11 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1x5s s ILE 39 CO 0.27 -0.59 0.00 -1.20 0.00 0.00 0.00 174.94 173.41 1x5s n SER 40 N 0.34 2.49 -3.53 3.58 7.64 0.21 -4.63 113.62 119.73 1x5s n SER 40 Ca -0.14 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.65 1x5s n SER 40 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x5s s GLU 41 N -1.97 0.99 0.15 1.43 2.12 -0.59 -4.97 118.70 115.86 1x5s s GLU 41 Ca 0.00 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 55.00 1x5s s GLU 41 Cb 0.00 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 1x5s s GLU 41 CO 0.00 -0.44 -0.17 0.08 -0.54 0.00 0.00 175.26 174.19 1x5s s VAL 42 N -3.30 1.66 -0.13 3.70 1.01 -1.26 0.12 120.40 122.20 1x5s s VAL 42 Ca 0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1x5s s VAL 42 Cb -0.01 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1x5s s VAL 42 CO -0.08 -0.36 0.15 -0.69 0.00 0.00 0.00 175.10 174.12 1x5s s VAL 43 N -2.11 -0.21 -0.35 2.92 1.01 0.18 -4.95 120.40 116.89 1x5s s VAL 43 Ca 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1x5s s VAL 43 Cb -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1x5s s VAL 43 CO 0.05 -0.06 0.13 -0.69 0.00 0.00 0.00 175.10 174.53 1x5s s VAL 44 N 2.25 3.87 0.24 2.92 1.01 -1.26 -0.52 120.40 128.90 1x5s s VAL 44 Ca 0.04 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1x5s s VAL 44 Cb -0.14 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 1x5s s VAL 44 CO -0.08 -0.22 1.39 -0.69 0.00 0.00 0.00 175.10 175.49 1x5s s VAL 45 N 1.41 2.83 0.02 2.92 1.01 -1.11 -4.92 120.40 122.56 1x5s s VAL 45 Ca -0.01 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1x5s s VAL 45 Cb -0.20 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1x5s s VAL 45 CO 0.03 0.12 -0.06 -0.54 0.00 0.00 0.00 175.10 174.64 1x5s s LYS 46 N -0.43 0.48 1.06 2.72 1.02 -1.26 -1.88 119.74 121.45 1x5s s LYS 46 Ca 0.58 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.93 1x5s s LYS 46 Cb -0.40 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1x5s s LYS 46 CO 0.43 0.09 -0.31 -3.47 -0.92 0.00 0.00 175.35 171.17 1x5s n ASP 47 N 2.30 -2.70 0.03 2.83 2.03 -1.24 -4.81 116.55 114.98 1x5s n ASP 47 Ca -0.17 -0.01 0.11 0.00 0.52 0.00 0.00 54.79 55.24 1x5s n ASP 47 Cb 0.57 -0.89 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 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 -0.79 0.64 -0.05 -0.67 3.00 -1.26 -3.02 116.66 114.51 1x5s n ARG 48 Ca 0.01 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.85 57.72 1x5s n ARG 48 Cb 0.63 -1.62 -0.01 0.00 0.00 0.00 0.00 32.46 31.46 1x5s n ARG 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x5s n GLU 49 N -2.39 0.32 0.18 -0.14 1.02 -1.26 -4.55 120.64 113.83 1x5s n GLU 49 Ca -0.03 0.34 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 1x5s n GLU 49 Cb 0.56 -1.30 0.14 0.00 -0.02 0.00 0.00 31.44 30.82 1x5s n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5s h THR 50 N -0.68 0.44 -6.44 2.62 1.03 -1.98 -3.47 112.91 104.44 1x5s h THR 50 Ca 0.00 -1.56 -0.49 0.00 -0.01 0.00 0.00 66.41 64.35 1x5s h THR 50 Cb 0.46 2.17 -0.06 0.00 -1.07 0.00 0.00 68.15 69.65 1x5s h THR 50 CO 0.00 0.25 -0.85 0.00 -0.01 0.00 0.00 175.52 174.90 1x5s n GLN 51 N -3.18 -3.84 -5.06 0.00 1.13 -1.17 -4.96 117.38 100.31 1x5s n GLN 51 Ca 0.03 0.46 -0.30 0.00 -1.94 0.00 0.00 57.00 55.25 1x5s n GLN 51 Cb 0.61 -4.85 -0.15 0.00 0.11 0.00 0.00 30.24 25.96 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 -6.52 1.89 -0.40 -1.09 3.00 -1.26 -4.82 118.95 109.76 1x5s s ARG 52 Ca 0.20 -1.01 -0.32 0.00 -1.00 0.00 0.00 55.73 53.60 1x5s s ARG 52 Cb -0.10 -1.96 -0.14 0.00 0.00 0.00 0.00 34.95 32.75 1x5s s ARG 52 CO 0.87 0.52 1.64 0.43 0.00 0.00 0.00 175.30 178.76 1x5s n SER 53 N 2.09 0.54 0.08 -2.12 7.64 -1.26 -3.64 113.62 116.95 1x5s n SER 53 Ca -0.16 0.48 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 1x5s n SER 53 Cb 0.52 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 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 6.92 -0.13 0.00 1.43 3.08 -1.73 -3.47 114.38 120.47 1x5s h ARG 54 Ca -0.07 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1x5s h ARG 54 Cb 1.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1x5s h ARG 54 CO 0.83 -0.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 1x5s n GLY 55 N -0.94 0.53 3.25 0.04 0.00 -1.26 -4.99 105.19 101.81 1x5s n GLY 55 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 1.35 0.00 1.61 -0.12 -1.26 0.19 117.98 119.75 1x5s s PHE 56 Ca 0.00 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1x5s s PHE 56 Cb 0.00 -0.68 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1x5s s PHE 56 CO 0.00 0.13 0.00 0.41 -0.05 0.00 0.00 175.22 175.71 1x5s n GLY 57 N 0.08 2.76 3.60 1.99 0.00 -0.03 -2.74 105.19 110.85 1x5s n GLY 57 Ca -0.12 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.81 -0.66 -0.21 1.61 0.40 0.32 -2.03 117.98 115.61 1x5s s PHE 58 Ca 0.00 1.47 0.01 0.00 -0.60 0.00 0.00 56.93 57.81 1x5s s PHE 58 Cb 0.00 0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.90 1x5s s PHE 58 CO 0.00 -0.40 -0.16 0.08 0.70 0.00 0.00 175.22 175.44 1x5s s VAL 59 N -0.15 2.20 -0.10 -0.44 1.01 -1.24 0.49 120.40 122.17 1x5s s VAL 59 Ca -0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1x5s s VAL 59 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1x5s s VAL 59 CO 0.02 0.38 1.13 -0.89 0.00 0.00 0.00 175.10 175.74 1x5s s THR 60 N 1.26 4.47 0.15 3.92 2.01 0.33 -3.92 115.64 123.85 1x5s s THR 60 Ca 0.02 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.80 1x5s s THR 60 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1x5s s THR 60 CO -0.10 -0.03 0.29 -0.36 -0.69 0.00 0.00 174.62 173.74 1x5s s PHE 61 N 2.34 3.49 0.06 4.92 0.40 -1.21 0.67 117.98 128.64 1x5s s PHE 61 Ca 0.52 0.18 -0.27 0.00 -0.60 0.00 0.00 56.93 56.76 1x5s s PHE 61 Cb -0.21 -1.71 -0.13 0.00 0.51 0.00 0.00 43.02 41.47 1x5s s PHE 61 CO 0.19 0.50 1.41 0.93 0.70 0.00 0.00 175.22 178.95 1x5s h GLU 62 N 2.25 -0.75 -6.24 0.44 4.39 -1.82 -3.44 114.58 109.41 1x5s h GLU 62 Ca -0.48 0.05 -0.49 0.00 0.34 0.00 0.00 59.36 58.78 1x5s h GLU 62 Cb 1.19 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1x5s h GLU 62 CO 0.70 -0.50 -0.37 1.21 -1.16 0.00 0.00 179.01 178.88 1x5s s ASN 63 N -3.75 6.33 0.10 1.42 3.84 -1.26 -5.03 114.94 116.59 1x5s s ASN 63 Ca -0.13 0.22 -0.22 0.00 0.21 0.00 0.00 52.86 52.94 1x5s s ASN 63 Cb 0.03 -1.93 -0.12 0.00 -0.55 0.00 0.00 41.25 38.68 1x5s s ASN 63 CO 0.44 -0.09 1.73 0.40 -2.79 0.00 0.00 177.10 176.79 1x5s h ILE 64 N 1.23 1.05 -0.21 -5.21 2.04 -1.85 -3.03 117.51 111.52 1x5s h ILE 64 Ca -0.50 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1x5s h ILE 64 Cb 1.22 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1x5s h ILE 64 CO 0.64 0.04 0.07 -0.78 0.00 0.00 0.00 178.15 178.12 1x5s h ASP 65 N 0.09 0.30 -0.80 1.72 3.58 -1.93 -2.92 116.42 116.46 1x5s h ASP 65 Ca 0.03 -0.18 0.32 0.00 0.42 0.00 0.00 57.03 57.62 1x5s h ASP 65 Cb 0.02 -0.08 -0.14 0.00 1.72 0.00 0.00 39.33 40.85 1x5s h ASP 65 CO -0.01 0.40 0.39 -0.67 -2.88 0.00 0.00 179.24 176.47 1x5s n ASP 66 N -4.80 0.24 0.36 2.28 -0.08 -1.15 0.16 116.55 113.56 1x5s n ASP 66 Ca -0.04 1.33 -0.15 0.00 -1.51 0.00 0.00 54.79 54.42 1x5s n ASP 66 Cb 0.14 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 42.90 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 1.60 -0.95 -0.78 -1.67 0.00 -1.53 -2.85 119.26 113.08 1x5s h ALA 67 Ca 0.66 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.54 1x5s h ALA 67 Cb 1.72 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 19.75 1x5s h ALA 67 CO -0.63 -0.89 0.19 1.57 0.00 0.00 0.00 179.25 179.49 1x5s h LYS 68 N -1.24 0.25 -0.90 0.00 2.10 -0.35 0.55 116.57 116.97 1x5s h LYS 68 Ca -0.10 -0.01 0.12 0.00 -2.00 0.00 0.00 60.65 58.66 1x5s h LYS 68 Cb 0.73 -0.06 -0.07 0.00 -0.90 0.00 0.00 32.23 31.94 1x5s h LYS 68 CO 0.16 0.16 0.58 0.22 -2.00 0.00 0.00 179.45 178.58 1x5s h ASP 69 N 0.26 0.76 0.93 7.07 1.82 -1.11 0.11 116.42 126.25 1x5s h ASP 69 Ca 0.45 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1x5s h ASP 69 Cb 0.81 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1x5s h ASP 69 CO -0.55 0.42 -0.60 0.00 -1.61 0.00 0.00 179.24 176.90 1x5s h ALA 70 N 1.57 0.61 0.07 -0.78 0.00 -0.17 -3.27 119.26 117.29 1x5s h ALA 70 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1x5s h ALA 70 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x5s h ALA 70 CO -0.20 0.00 -0.44 1.98 0.00 0.00 0.00 179.25 180.59 1x5s h MET 71 N 0.00 0.17 -0.34 0.00 1.85 0.22 -2.03 114.93 114.79 1x5s h MET 71 Ca 0.00 -0.28 -0.05 0.00 -0.61 0.00 0.00 59.70 58.76 1x5s h MET 71 Cb 0.76 0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.88 1x5s h MET 71 CO 0.00 1.12 0.00 0.00 -0.40 0.00 0.00 176.91 177.64 1x5s h MET 72 N -0.63 0.53 0.10 0.39 -0.00 -1.08 0.64 114.93 114.89 1x5s h MET 72 Ca -0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.70 59.51 1x5s h MET 72 Cb 1.34 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 1x5s h MET 72 CO 0.08 0.56 -0.05 0.00 -0.00 0.00 0.00 176.91 177.50 1x5s h ALA 73 N 1.50 -0.14 -0.12 -3.00 0.00 -1.66 -3.30 119.26 112.54 1x5s h ALA 73 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1x5s h ALA 73 Cb 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x5s h ALA 73 CO 0.01 -0.20 -0.29 0.52 0.00 0.00 0.00 179.25 179.29 1x5s h MET 74 N -0.88 0.22 -5.21 0.00 2.86 -1.33 -3.43 114.93 107.16 1x5s h MET 74 Ca -0.01 -0.08 -0.52 0.00 -2.06 0.00 0.00 59.70 57.03 1x5s h MET 74 Cb 0.56 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 1x5s h MET 74 CO 0.02 0.49 1.70 -1.71 1.06 0.00 0.00 176.91 178.48 1x5s n ASN 75 N -4.14 0.75 -0.34 1.22 5.15 0.22 0.73 115.26 118.85 1x5s n ASN 75 Ca -0.01 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1x5s n ASN 75 Cb 0.38 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 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 6.48 0.94 3.38 8.20 0.00 -1.26 -4.83 105.19 118.09 1x5s n GLY 76 Ca 0.59 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.47 0.78 -3.92 1.61 4.76 0.22 -4.97 118.16 116.17 1x5s n LYS 77 Ca 0.00 -3.09 -0.28 0.00 -2.87 0.00 0.00 58.31 52.07 1x5s n LYS 77 Cb 0.39 0.39 -0.17 0.00 -1.84 0.00 0.00 35.03 33.80 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 -3.84 2.66 -0.47 4.39 0.01 -1.26 -3.59 113.70 111.60 1x5s s SER 78 Ca 0.25 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 1x5s s SER 78 Cb -0.02 -0.96 0.06 0.00 0.21 0.00 0.00 66.02 65.32 1x5s s SER 78 CO 0.16 -0.14 0.44 0.54 0.41 0.00 0.00 173.24 174.64 1x5s s VAL 79 N 1.61 5.16 -1.16 3.43 0.11 -1.26 -4.35 120.40 123.94 1x5s s VAL 79 Ca 0.02 -0.90 -0.05 0.00 -2.93 0.00 0.00 61.98 58.13 1x5s s VAL 79 Cb -0.14 -4.14 0.01 0.00 -1.53 0.00 0.00 36.38 30.57 1x5s s VAL 79 CO -0.08 -0.60 0.61 0.47 -3.33 0.00 0.00 175.10 172.16 1x5s n ASP 80 N 5.40 -5.21 -1.31 3.54 9.92 -1.26 -3.58 116.55 124.06 1x5s n ASP 80 Ca -0.11 -0.28 -0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1x5s n ASP 80 Cb 0.44 -3.98 0.00 0.00 -0.64 0.00 0.00 41.12 36.94 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 -1.45 0.65 2.30 0.44 0.00 -1.26 -5.09 105.19 100.78 1x5s n GLY 81 Ca -0.06 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.32 0.72 -1.96 1.61 5.12 -1.23 -5.08 116.66 114.52 1x5s n ARG 82 Ca -0.00 -2.37 -0.03 0.00 -1.93 0.00 0.00 57.85 53.52 1x5s n ARG 82 Cb 0.50 1.25 0.06 0.00 -1.16 0.00 0.00 32.46 33.11 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 1.62 -1.49 5.56 10.64 -1.26 -4.28 117.38 127.53 1x5s n GLN 83 Ca -0.05 -3.20 -0.30 0.00 -1.83 0.00 0.00 57.00 51.63 1x5s n GLN 83 Cb 0.42 -1.31 0.11 0.00 -0.86 0.00 0.00 30.24 28.60 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 -2.84 2.72 0.14 -0.39 -4.36 -1.24 -4.96 121.20 110.28 1x5s s ILE 84 Ca 0.36 0.24 0.03 0.00 -0.26 0.00 0.00 60.65 61.01 1x5s s ILE 84 Cb 0.37 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1x5s s ILE 84 CO -0.06 -0.31 -0.06 -0.13 0.24 0.00 0.00 174.94 174.62 1x5s s ARG 85 N -5.15 1.02 -0.03 0.37 0.52 -1.17 -3.45 118.95 111.05 1x5s s ARG 85 Ca 0.62 -1.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1x5s s ARG 85 Cb -0.15 -0.41 -0.00 0.00 0.52 0.00 0.00 34.95 34.91 1x5s s ARG 85 CO 0.54 -0.01 -0.15 0.08 0.02 0.00 0.00 175.30 175.78 1x5s s VAL 86 N -3.50 1.24 0.25 3.52 1.01 -1.26 -3.18 120.40 118.48 1x5s s VAL 86 Ca 0.17 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1x5s s VAL 86 Cb 0.04 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1x5s s VAL 86 CO 0.00 0.36 0.63 -1.81 0.00 0.00 0.00 175.10 174.29 1x5s s ASP 87 N 0.01 -0.26 0.03 3.32 1.01 -1.05 -4.39 116.67 115.33 1x5s s ASP 87 Ca -0.02 -0.58 -0.35 0.00 0.71 0.00 0.00 52.55 52.31 1x5s s ASP 87 Cb -0.10 0.67 -0.14 0.00 1.01 0.00 0.00 42.92 44.36 1x5s s ASP 87 CO 0.01 -1.22 1.63 1.67 0.21 0.00 0.00 175.17 177.47 1x5s n GLN 88 N -0.42 1.83 -0.21 8.23 7.27 -1.26 -0.87 117.38 131.95 1x5s n GLN 88 Ca -0.06 0.66 -0.08 0.00 0.07 0.00 0.00 57.00 57.59 1x5s n GLN 88 Cb 0.61 -2.42 0.03 0.00 2.41 0.00 0.00 30.24 30.87 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x5s h ALA 89 N 6.66 0.78 0.00 1.69 0.00 -1.83 -3.40 119.26 123.16 1x5s h ALA 89 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1x5s h ALA 89 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x5s h ALA 89 CO 0.89 0.49 0.00 0.41 0.00 0.00 0.00 179.25 181.04 1x5s n GLY 90 N -0.64 2.34 3.69 0.00 0.00 -1.26 -4.83 105.19 104.48 1x5s n GLY 90 Ca 0.03 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1x5s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5s s LYS 91 N -2.15 4.39 -0.30 1.61 -2.85 -1.26 -5.00 119.74 114.17 1x5s s LYS 91 Ca 0.00 1.18 0.01 0.00 -1.00 0.00 0.00 55.97 56.16 1x5s s LYS 91 Cb 0.00 -3.54 0.09 0.00 -2.06 0.00 0.00 37.83 32.32 1x5s s LYS 91 CO 0.00 -0.25 0.04 0.45 0.10 0.00 0.00 175.35 175.69 1x5s s SER 92 N 1.07 4.22 0.22 0.03 0.15 -1.26 -5.12 113.70 113.01 1x5s s SER 92 Ca 0.43 -1.67 0.05 0.00 0.70 0.00 0.00 55.95 55.46 1x5s s SER 92 Cb -0.18 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.89 1x5s s SER 92 CO 0.17 -0.35 0.26 -0.55 1.20 0.00 0.00 173.24 173.96 1x5s s SER 93 N 1.31 5.91 0.17 5.45 0.15 -1.26 -5.13 113.70 120.30 1x5s s SER 93 Ca 0.06 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.66 1x5s s SER 93 Cb -0.18 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 1x5s s SER 93 CO -0.14 -0.02 0.00 -0.62 1.20 0.00 0.00 173.24 173.66 1x5s s ASP 94 N -3.70 1.19 0.25 5.45 2.15 -1.26 -5.17 116.67 115.59 1x5s s ASP 94 Ca 0.33 -1.17 -0.22 0.00 0.43 0.00 0.00 52.55 51.92 1x5s s ASP 94 Cb -0.09 0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.68 1x5s s ASP 94 CO 0.27 -0.57 0.77 0.21 -0.17 0.00 0.00 175.17 175.68 1x5s s ASN 95 N -3.17 -0.24 -0.18 -0.34 3.84 -1.26 -5.17 114.94 108.42 1x5s s ASN 95 Ca 0.24 -0.56 -0.08 0.00 0.21 0.00 0.00 52.86 52.67 1x5s s ASN 95 Cb 0.06 0.68 0.07 0.00 -0.55 0.00 0.00 41.25 41.51 1x5s s ASN 95 CO 0.04 -1.25 0.39 -0.60 -2.79 0.00 0.00 177.10 172.89 1x5s s ARG 96 N -3.78 0.33 0.31 0.43 3.52 -1.26 -5.17 118.95 113.33 1x5s s ARG 96 Ca 0.11 0.88 0.10 0.00 -0.13 0.00 0.00 55.73 56.70 1x5s s ARG 96 Cb -0.05 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.41 1x5s s ARG 96 CO 0.06 -0.21 -0.10 0.45 -0.81 0.00 0.00 175.30 174.69 1x5s s SER 97 N 2.01 3.90 0.00 -2.12 0.15 -1.26 -5.07 113.70 111.31 1x5s s SER 97 Ca -0.05 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1x5s s SER 97 Cb -0.10 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1x5s s SER 97 CO -0.12 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5s n GLY 98 N -0.77 -1.79 1.12 9.45 0.00 -1.26 -5.18 105.19 106.77 1x5s n GLY 98 Ca -0.05 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 -1.71 -3.75 1.61 -0.04 -1.26 -5.10 135.00 124.75 1x5s n PRO 99 Ca 0.00 -0.56 -0.02 0.00 -0.04 0.00 0.00 63.50 62.87 1x5s n PRO 99 Cb 0.00 -0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 1x5s n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5s s SER 100 N -2.45 -0.13 0.07 3.54 0.15 -1.26 -5.10 113.70 108.51 1x5s s SER 100 Ca 0.23 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1x5s s SER 100 Cb -0.02 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x5s s SER 100 CO 0.17 -0.81 -0.01 -1.54 1.20 0.00 0.00 173.24 172.25 1x5s n SER 101 N -0.58 0.95 -0.52 5.45 3.41 -1.26 -5.38 113.62 115.70 1x5s n SER 101 Ca -0.06 0.12 0.14 0.00 -0.26 0.00 0.00 58.87 58.81 1x5s n SER 101 Cb 0.61 -0.30 0.49 0.00 -0.26 0.00 0.00 64.21 64.75 1x5s n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49