#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s n LYS 2 N 0.00 0.00 -2.46 0.03 5.02 -1.26 -4.40 118.16 115.09 1k0s n LYS 2 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1k0s n LYS 2 Cb 0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 35.03 34.92 1k0s n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1k0s n THR 3 N 0.00 -0.88 -0.07 -0.18 -2.24 -1.26 -4.83 114.28 104.81 1k0s n THR 3 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1k0s n THR 3 Cb 0.00 -2.51 -0.05 0.00 -2.10 0.00 0.00 70.33 65.67 1k0s n THR 3 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k0s n LEU 4 N -2.99 1.23 -4.73 3.22 4.77 -1.26 -4.24 117.00 112.99 1k0s n LEU 4 Ca -0.20 0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1k0s n LEU 4 Cb 0.65 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1k0s n LEU 4 CO 0.25 0.20 0.75 0.00 -1.33 0.00 0.00 177.39 177.27 1k0s s ALA 5 N -2.34 3.32 0.00 -1.18 0.00 -1.26 -4.89 121.76 115.40 1k0s s ALA 5 Ca -0.22 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1k0s s ALA 5 Cb 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1k0s s ALA 5 CO 0.28 -0.17 0.00 -0.40 0.00 0.00 0.00 175.76 175.47 1k0s n ASP 6 N 2.77 -0.97 -1.57 0.00 5.75 -1.26 -4.98 116.55 116.29 1k0s n ASP 6 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1k0s n ASP 6 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1k0s n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ALA 7 N 0.06 -2.14 -1.16 2.12 0.00 -1.26 -4.67 120.51 113.46 1k0s n ALA 7 Ca 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1k0s n ALA 7 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1k0s n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k0s n LEU 8 N 0.16 6.22 -0.07 0.00 4.77 -1.26 -4.44 117.00 122.37 1k0s n LEU 8 Ca 0.00 -3.59 -0.09 0.00 -0.03 0.00 0.00 56.01 52.31 1k0s n LEU 8 Cb 0.00 -1.20 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 1k0s n LEU 8 CO 0.00 1.52 -0.12 0.11 -1.33 0.00 0.00 177.39 177.57 1k0s h LYS 9 N 2.39 0.00 -5.19 3.23 1.79 -1.83 -3.20 116.57 113.75 1k0s h LYS 9 Ca 0.31 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.38 1k0s h LYS 9 Cb 0.92 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.43 1k0s h LYS 9 CO 0.69 0.43 -0.67 -1.21 -1.08 0.00 0.00 179.45 177.60 1k0s s GLU 10 N -2.06 1.34 -0.27 3.15 2.02 -1.26 -3.26 118.70 118.35 1k0s s GLU 10 Ca -0.14 -1.66 -0.24 0.00 0.02 0.00 0.00 54.97 52.95 1k0s s GLU 10 Cb 0.01 -0.75 0.08 0.00 0.10 0.00 0.00 34.13 33.57 1k0s s GLU 10 CO 0.34 -0.03 0.78 0.12 0.02 0.00 0.00 175.26 176.49 1k0s s PHE 11 N -3.30 -0.76 0.09 1.61 5.36 0.25 -4.67 117.98 116.57 1k0s s PHE 11 Ca 0.26 1.80 -0.19 0.00 -0.96 0.00 0.00 56.93 57.84 1k0s s PHE 11 Cb 0.04 0.33 -0.07 0.00 -0.34 0.00 0.00 43.02 42.99 1k0s s PHE 11 CO 0.08 -0.37 0.59 -1.21 -1.46 0.00 0.00 175.22 172.85 1k0s s GLU 12 N 0.52 4.22 0.26 10.12 2.02 -1.26 0.47 118.70 135.04 1k0s s GLU 12 Ca -0.01 0.76 -0.17 0.00 0.02 0.00 0.00 54.97 55.57 1k0s s GLU 12 Cb -0.05 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1k0s s GLU 12 CO -0.03 0.61 0.60 0.54 0.02 0.00 0.00 175.26 177.00 1k0s s VAL 13 N -1.16 0.00 -0.02 2.63 0.11 -0.32 -4.42 120.40 117.22 1k0s s VAL 13 Ca 0.31 -1.12 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 1k0s s VAL 13 Cb -0.19 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1k0s s VAL 13 CO 0.20 -0.01 0.59 -0.22 -3.33 0.00 0.00 175.10 172.33 1k0s s LEU 14 N -2.95 4.39 0.03 2.54 1.98 -0.91 0.13 118.68 123.89 1k0s s LEU 14 Ca 0.15 1.13 -0.08 0.00 -2.89 0.00 0.00 54.13 52.44 1k0s s LEU 14 Cb -0.03 -2.91 -0.00 0.00 0.66 0.00 0.00 46.19 43.90 1k0s s LEU 14 CO 0.07 0.07 0.15 -0.94 -1.89 0.00 0.00 176.35 173.80 1k0s s SER 15 N 0.00 0.08 0.19 3.68 1.04 0.26 -0.91 113.70 118.03 1k0s s SER 15 Ca 0.31 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1k0s s SER 15 Cb -0.18 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1k0s s SER 15 CO 0.16 -0.50 0.41 0.72 0.98 0.00 0.00 173.24 175.02 1k0s s PHE 16 N -2.33 0.14 -0.02 5.02 -0.12 0.11 0.13 117.98 120.91 1k0s s PHE 16 Ca -0.07 -0.50 -0.21 0.00 -0.05 0.00 0.00 56.93 56.10 1k0s s PHE 16 Cb -0.02 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 1k0s s PHE 16 CO -0.03 -0.84 0.61 -2.00 -0.05 0.00 0.00 175.22 172.91 1k0s s GLU 17 N -3.92 4.34 -0.38 1.99 2.56 0.86 -0.72 118.70 123.43 1k0s s GLU 17 Ca 0.14 0.75 0.01 0.00 0.00 0.00 0.00 54.97 55.86 1k0s s GLU 17 Cb 0.01 -3.36 0.12 0.00 2.00 0.00 0.00 34.13 32.90 1k0s s GLU 17 CO -0.01 0.32 0.18 0.42 -0.56 0.00 0.00 175.26 175.61 1k0s s ILE 18 N -0.02 1.08 -1.19 -3.70 -1.09 0.19 -4.29 121.20 112.18 1k0s s ILE 18 Ca 0.32 -2.05 -0.31 0.00 -2.23 0.00 0.00 60.65 56.37 1k0s s ILE 18 Cb -0.18 -1.78 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1k0s s ILE 18 CO 0.17 -0.83 0.71 0.47 -1.23 0.00 0.00 174.94 174.23 1k0s n ASP 19 N 4.06 -4.45 0.00 3.58 9.92 -1.26 -1.43 116.55 126.97 1k0s n ASP 19 Ca 0.05 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.08 1k0s n ASP 19 Cb 0.37 -2.06 0.00 0.00 -0.64 0.00 0.00 41.12 38.79 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k0s n GLU 20 N -4.82 0.00 -3.24 -1.24 -0.58 -1.26 -4.69 120.64 104.80 1k0s n GLU 20 Ca -0.11 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.32 1k0s n GLU 20 Cb 0.57 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.39 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1k0s s GLN 21 N 0.00 3.82 0.40 3.49 1.03 -0.52 -4.91 119.66 122.97 1k0s s GLN 21 Ca 0.00 0.37 -0.06 0.00 0.04 0.00 0.00 55.36 55.70 1k0s s GLN 21 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 33.01 30.44 1k0s s GLN 21 CO 0.00 0.20 0.70 0.00 -2.54 0.00 0.00 175.29 173.65 1k0s s ALA 22 N -1.99 3.47 -0.07 2.60 0.00 0.25 0.54 121.76 126.55 1k0s s ALA 22 Ca 0.49 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1k0s s ALA 22 Cb -0.11 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1k0s s ALA 22 CO 0.23 -0.06 0.18 -1.17 0.00 0.00 0.00 175.76 174.94 1k0s s LEU 23 N -4.11 1.01 0.02 0.00 2.96 0.11 0.22 118.68 118.89 1k0s s LEU 23 Ca 0.47 0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1k0s s LEU 23 Cb -0.10 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.13 1k0s s LEU 23 CO 0.36 -0.10 0.05 0.00 -1.32 0.00 0.00 176.35 175.33 1k0s s ALA 24 N 0.59 -0.03 0.00 5.97 0.00 0.20 0.08 121.76 128.58 1k0s s ALA 24 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1k0s s ALA 24 Cb -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1k0s s ALA 24 CO -0.03 -0.22 -0.14 -0.06 0.00 0.00 0.00 175.76 175.31 1k0s s PHE 25 N -1.85 1.26 -0.73 0.00 0.40 -0.09 -1.47 117.98 115.50 1k0s s PHE 25 Ca -0.12 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 1k0s s PHE 25 Cb -0.06 -0.79 -0.15 0.00 0.51 0.00 0.00 43.02 42.52 1k0s s PHE 25 CO -0.02 -0.00 2.53 -3.47 0.70 0.00 0.00 175.22 174.96 1k0s n ASP 26 N 2.49 1.25 0.10 1.36 -0.08 -0.88 -2.14 116.55 118.65 1k0s n ASP 26 Ca -0.15 -0.04 0.03 0.00 -1.51 0.00 0.00 54.79 53.11 1k0s n ASP 26 Cb 0.55 -1.20 0.14 0.00 2.34 0.00 0.00 41.12 42.94 1k0s n ASP 26 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1k0s n VAL 27 N 7.63 0.49 -0.24 5.18 3.14 -1.26 -0.76 118.33 132.51 1k0s n VAL 27 Ca 0.52 0.65 -0.07 0.00 -2.96 0.00 0.00 64.34 62.49 1k0s n VAL 27 Cb 0.24 -1.65 0.04 0.00 -1.06 0.00 0.00 33.84 31.41 1k0s n VAL 27 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1k0s h ASP 28 N 0.00 0.90 0.04 6.55 3.04 -1.89 -3.22 116.42 121.83 1k0s h ASP 28 Ca 0.00 -0.16 -0.09 0.00 -3.24 0.00 0.00 57.03 53.54 1k0s h ASP 28 Cb 0.84 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.90 1k0s h ASP 28 CO 0.00 0.81 -0.45 -1.13 -2.04 0.00 0.00 179.24 176.42 1k0s h ASN 29 N 0.93 0.13 -2.36 4.15 -1.24 -1.30 -3.45 115.58 112.43 1k0s h ASN 29 Ca 0.22 -0.91 -0.55 0.00 0.71 0.00 0.00 56.30 55.77 1k0s h ASN 29 Cb 0.17 -0.04 0.03 0.00 0.73 0.00 0.00 38.32 39.22 1k0s h ASN 29 CO -0.02 1.20 1.11 -0.38 -1.29 0.00 0.00 177.43 178.04 1k0s n ILE 30 N -4.43 0.46 -0.08 2.57 2.08 -1.20 -3.31 119.36 115.45 1k0s n ILE 30 Ca -0.15 -0.08 -0.12 0.00 0.56 0.00 0.00 62.75 62.96 1k0s n ILE 30 Cb 0.61 -2.07 -0.07 0.00 -0.75 0.00 0.00 39.64 37.36 1k0s n ILE 30 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1k0s h GLU 31 N 8.90 0.00 -1.96 0.38 4.11 -1.55 -3.45 114.58 121.00 1k0s h GLU 31 Ca -0.47 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.09 1k0s h GLU 31 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 1k0s h GLU 31 CO 0.94 0.52 0.57 -1.64 0.07 0.00 0.00 179.01 179.47 1k0s s MET 32 N -2.19 0.66 0.23 1.06 -1.94 -1.15 -5.05 119.30 110.93 1k0s s MET 32 Ca -0.19 -0.17 -0.13 0.00 -1.71 0.00 0.00 55.69 53.49 1k0s s MET 32 Cb 0.02 0.31 -0.08 0.00 2.01 0.00 0.00 34.83 37.10 1k0s s MET 32 CO 0.39 -0.28 0.61 0.14 -0.01 0.00 0.00 175.02 175.88 1k0s s VAL 33 N -2.55 4.81 0.04 -6.03 -7.23 -1.26 -1.02 120.40 107.15 1k0s s VAL 33 Ca 0.05 0.77 -0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1k0s s VAL 33 Cb -0.01 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1k0s s VAL 33 CO -0.06 0.01 -0.03 0.27 -0.31 0.00 0.00 175.10 174.98 1k0s s ILE 34 N -1.73 0.22 0.32 -0.62 -4.36 0.20 -4.91 121.20 110.32 1k0s s ILE 34 Ca 0.46 -1.41 -0.10 0.00 -0.26 0.00 0.00 60.65 59.35 1k0s s ILE 34 Cb -0.13 -0.96 -0.07 0.00 1.25 0.00 0.00 42.46 42.56 1k0s s ILE 34 CO 0.20 -0.75 0.66 -1.61 0.24 0.00 0.00 174.94 173.67 1k0s s GLU 35 N -2.78 3.78 -0.16 0.37 0.41 -1.26 -0.09 118.70 118.98 1k0s s GLU 35 Ca -0.03 0.34 -0.21 0.00 -0.41 0.00 0.00 54.97 54.65 1k0s s GLU 35 Cb -0.01 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 1k0s s GLU 35 CO -0.05 0.15 0.63 0.21 -0.49 0.00 0.00 175.26 175.70 1k0s s LYS 36 N -3.38 4.28 0.00 1.61 2.36 -1.25 -4.76 119.74 118.61 1k0s s LYS 36 Ca 0.49 0.67 0.00 0.00 -2.55 0.00 0.00 55.97 54.58 1k0s s LYS 36 Cb -0.11 -3.53 0.00 0.00 -1.05 0.00 0.00 37.83 33.14 1k0s s LYS 36 CO 0.26 -0.12 0.00 0.45 1.55 0.00 0.00 175.35 177.49 1k0s n SER 37 N 4.59 0.00 -4.34 1.43 2.88 -1.26 -4.99 113.62 111.93 1k0s n SER 37 Ca -0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.17 1k0s n SER 37 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 1k0s n SER 37 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k0s n ASP 38 N 0.00 -0.99 0.00 -3.46 2.03 -1.26 -4.87 116.55 107.99 1k0s n ASP 38 Ca 0.00 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.12 1k0s n ASP 38 Cb 0.00 -1.99 0.00 0.00 -0.72 0.00 0.00 41.12 38.41 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1k0s n ILE 39 N -4.34 0.00 -3.34 5.18 5.41 -1.26 -5.02 119.36 115.99 1k0s n ILE 39 Ca -0.09 0.19 0.02 0.00 1.00 0.00 0.00 62.75 63.87 1k0s n ILE 39 Cb 0.57 -0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 1k0s n ILE 39 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1k0s s THR 40 N -0.38 -0.48 0.00 1.39 2.01 -1.25 -4.36 115.64 112.56 1k0s s THR 40 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1k0s s THR 40 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1k0s s THR 40 CO 0.00 0.00 0.16 -0.81 -0.69 0.00 0.00 174.62 173.28 1k0s n PRO 41 N 5.07 0.00 -2.70 4.92 -0.04 -1.26 -4.39 135.00 136.60 1k0s n PRO 41 Ca -0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 1k0s n PRO 41 Cb 0.53 -0.58 0.08 0.00 -0.04 0.00 0.00 33.50 33.48 1k0s n PRO 41 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1k0s n VAL 42 N -0.22 0.58 0.33 0.52 0.24 -1.26 -4.83 118.33 113.70 1k0s n VAL 42 Ca 0.00 -2.26 0.17 0.00 -2.04 0.00 0.00 64.34 60.21 1k0s n VAL 42 Cb 0.00 0.92 0.93 0.00 -1.47 0.00 0.00 33.84 34.22 1k0s n VAL 42 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1k0s h PRO 43 N 2.36 0.00 0.00 7.34 0.11 -1.89 -3.46 132.00 136.46 1k0s h PRO 43 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1k0s h PRO 43 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k0s h PRO 43 CO 0.18 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.14 1k0s n LYS 44 N -2.92 0.00 -1.97 1.05 4.81 -1.26 -4.83 118.16 113.03 1k0s n LYS 44 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.25 1k0s n LYS 44 Cb 0.28 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.30 1k0s n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k0s n SER 45 N 4.49 -4.58 0.00 3.14 7.64 -1.26 -4.37 113.62 118.68 1k0s n SER 45 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1k0s n SER 45 Cb 0.00 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k0s n ARG 46 N -2.51 0.00 0.00 1.43 5.12 -1.26 -5.05 116.66 114.39 1k0s n ARG 46 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1k0s n ARG 46 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1k0s n HIS 47 N -1.10 0.00 -0.04 -1.55 8.25 -1.26 -4.38 115.22 115.14 1k0s n HIS 47 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1k0s n HIS 47 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1k0s n HIS 47 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1k0s h PHE 48 N 0.00 0.10 -0.19 4.41 -1.00 -1.95 -3.41 116.94 114.89 1k0s h PHE 48 Ca 0.00 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1k0s h PHE 48 Cb 0.00 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1k0s h PHE 48 CO 0.00 0.94 0.24 0.28 -1.61 0.00 0.00 178.31 178.17 1k0s n VAL 49 N -4.58 0.00 0.16 -0.55 0.31 -1.26 -4.50 118.33 107.90 1k0s n VAL 49 Ca -0.10 -0.32 0.02 0.00 -0.01 0.00 0.00 64.34 63.93 1k0s n VAL 49 Cb 0.48 -1.69 0.37 0.00 -0.91 0.00 0.00 33.84 32.08 1k0s n VAL 49 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1k0s h GLU 50 N 11.95 0.10 -3.60 5.55 4.11 -1.60 -3.44 114.58 127.65 1k0s h GLU 50 Ca 0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1k0s h GLU 50 Cb 1.01 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 1k0s h GLU 50 CO 1.06 0.38 -0.10 0.20 0.07 0.00 0.00 179.01 180.62 1k0s s GLY 51 N -4.21 0.43 0.30 1.06 0.00 -0.96 -4.61 107.32 99.33 1k0s s GLY 51 Ca -0.04 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 1k0s s GLY 51 CO 0.73 -0.58 0.70 -1.34 0.00 0.00 0.00 173.10 172.61 1k0s s VAL 52 N -3.99 0.00 -0.21 1.40 -7.23 -1.26 0.26 120.40 109.37 1k0s s VAL 52 Ca 0.20 -1.07 -0.27 0.00 -1.81 0.00 0.00 61.98 59.03 1k0s s VAL 52 Cb -0.01 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.79 1k0s s VAL 52 CO 0.07 0.00 0.74 0.27 -0.31 0.00 0.00 175.10 175.87 1k0s s ILE 53 N -3.59 0.00 0.12 -0.62 -5.25 -0.83 -3.91 121.20 107.12 1k0s s ILE 53 Ca 0.14 0.00 -0.18 0.00 -0.99 0.00 0.00 60.65 59.62 1k0s s ILE 53 Cb -0.05 -1.00 -0.07 0.00 2.95 0.00 0.00 42.46 44.29 1k0s s ILE 53 CO 0.08 0.00 0.59 0.21 -1.79 0.00 0.00 174.94 174.04 1k0s s ASN 54 N -0.11 7.00 -0.29 4.36 3.84 -1.26 -0.63 114.94 127.84 1k0s s ASN 54 Ca -0.03 1.24 -0.20 0.00 0.21 0.00 0.00 52.86 54.09 1k0s s ASN 54 Cb -0.03 -2.35 0.14 0.00 -0.55 0.00 0.00 41.25 38.45 1k0s s ASN 54 CO 0.03 0.18 1.00 -0.22 -2.79 0.00 0.00 177.10 175.30 1k0s s LEU 55 N -1.52 -0.48 -1.47 3.21 1.98 -0.41 -4.95 118.68 115.04 1k0s s LEU 55 Ca 0.34 0.83 -0.05 0.00 -2.89 0.00 0.00 54.13 52.36 1k0s s LEU 55 Cb -0.18 1.79 0.04 0.00 0.66 0.00 0.00 46.19 48.50 1k0s s LEU 55 CO 0.20 -0.14 0.55 -1.14 -1.89 0.00 0.00 176.35 173.93 1k0s n ARG 56 N 3.10 -3.55 -3.67 1.98 0.63 -1.26 -0.73 116.66 113.17 1k0s n ARG 56 Ca -0.16 0.43 -0.27 0.00 -0.92 0.00 0.00 57.85 56.93 1k0s n ARG 56 Cb 0.57 -4.76 0.04 0.00 0.45 0.00 0.00 32.46 28.76 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k0s n GLY 57 N -1.82 -0.52 3.63 5.14 0.00 -1.26 -4.97 105.19 105.38 1k0s n GLY 57 Ca -0.21 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1k0s n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 58 N -6.38 0.63 -0.12 1.61 1.81 0.10 -5.15 118.95 111.45 1k0s s ARG 58 Ca 0.58 1.33 -0.20 0.00 -1.72 0.00 0.00 55.73 55.73 1k0s s ARG 58 Cb -0.28 0.51 -0.04 0.00 -0.45 0.00 0.00 34.95 34.69 1k0s s ARG 58 CO 0.72 -0.18 0.54 0.42 -0.68 0.00 0.00 175.30 176.13 1k0s s ILE 59 N 2.28 5.14 -0.11 1.52 1.09 -1.26 -1.28 121.20 128.58 1k0s s ILE 59 Ca -0.08 1.08 -0.08 0.00 -1.10 0.00 0.00 60.65 60.47 1k0s s ILE 59 Cb -0.09 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 1k0s s ILE 59 CO -0.19 0.29 0.18 0.27 -0.10 0.00 0.00 174.94 175.38 1k0s s ILE 60 N 0.80 5.44 -0.23 2.92 -5.25 0.19 -4.89 121.20 120.19 1k0s s ILE 60 Ca 0.29 0.29 -0.13 0.00 -0.99 0.00 0.00 60.65 60.11 1k0s s ILE 60 Cb -0.16 -3.44 -0.04 0.00 2.95 0.00 0.00 42.46 41.76 1k0s s ILE 60 CO 0.12 0.61 0.28 -2.16 -1.79 0.00 0.00 174.94 172.00 1k0s s PRO 61 N -0.99 4.09 -0.14 0.37 0.04 -1.24 -1.96 135.00 135.17 1k0s s PRO 61 Ca 0.16 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.08 1k0s s PRO 61 Cb -0.13 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1k0s s PRO 61 CO 0.05 -0.04 0.08 0.14 0.04 0.00 0.00 177.00 177.27 1k0s s VAL 62 N 1.36 5.02 0.06 -0.36 -7.23 0.14 -0.97 120.40 118.41 1k0s s VAL 62 Ca 0.13 0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1k0s s VAL 62 Cb -0.14 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1k0s s VAL 62 CO 0.07 0.54 0.09 -0.69 -0.31 0.00 0.00 175.10 174.80 1k0s s VAL 63 N -0.38 0.16 -0.78 1.32 1.01 -0.85 -1.79 120.40 119.09 1k0s s VAL 63 Ca 0.10 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 1k0s s VAL 63 Cb -0.12 -1.24 -0.14 0.00 0.00 0.00 0.00 36.38 34.89 1k0s s VAL 63 CO 0.02 -0.74 1.95 0.59 0.00 0.00 0.00 175.10 176.91 1k0s n ASN 64 N 0.29 2.97 -0.20 3.32 5.03 -1.26 -2.13 115.26 123.28 1k0s n ASN 64 Ca -0.16 -2.59 0.27 0.00 0.87 0.00 0.00 54.58 52.97 1k0s n ASN 64 Cb 0.61 -1.09 0.68 0.00 -1.02 0.00 0.00 39.78 38.96 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1k0s h LEU 65 N 12.60 0.08 -2.34 3.41 6.46 -1.84 0.75 115.31 134.42 1k0s h LEU 65 Ca 0.43 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1k0s h LEU 65 Cb 0.55 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1k0s h LEU 65 CO 1.84 0.03 -0.04 0.00 -0.62 0.00 0.00 178.44 179.65 1k0s h ALA 66 N 1.56 1.23 0.12 1.25 0.00 -1.83 0.41 119.26 122.00 1k0s h ALA 66 Ca 0.45 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.99 1k0s h ALA 66 Cb 1.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1k0s h ALA 66 CO -0.05 0.05 -1.75 1.57 0.00 0.00 0.00 179.25 179.07 1k0s h LYS 67 N 0.00 0.26 -0.97 0.00 5.09 0.14 1.89 116.57 122.98 1k0s h LYS 67 Ca -0.00 -0.44 0.03 0.00 0.09 0.00 0.00 60.65 60.32 1k0s h LYS 67 Cb 0.17 0.17 -0.05 0.00 0.10 0.00 0.00 32.23 32.61 1k0s h LYS 67 CO 0.01 1.21 0.64 0.97 -2.09 0.00 0.00 179.45 180.19 1k0s h ILE 68 N -0.11 1.20 0.19 0.07 2.10 -1.01 -0.74 117.51 119.20 1k0s h ILE 68 Ca -0.38 -0.43 -0.31 0.00 1.08 0.00 0.00 64.86 64.82 1k0s h ILE 68 Cb 1.91 -0.18 0.03 0.00 -1.09 0.00 0.00 36.82 37.50 1k0s h ILE 68 CO 0.07 0.23 -1.34 0.25 -1.08 0.00 0.00 178.15 176.28 1k0s h LEU 69 N 1.26 0.86 -1.11 2.19 7.12 -0.30 -3.50 115.31 121.83 1k0s h LEU 69 Ca 0.38 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.51 1k0s h LEU 69 Cb -0.05 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 39.80 1k0s h LEU 69 CO -0.11 1.66 -0.43 0.61 -0.13 0.00 0.00 178.44 180.04 1k0s n GLY 70 N 1.54 -4.40 0.00 3.75 0.00 0.64 -5.04 105.19 101.69 1k0s n GLY 70 Ca -0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.72 0.00 -0.24 -0.61 -5.35 -1.05 -4.93 119.36 107.90 1k0s n ILE 71 Ca 0.00 0.00 0.26 0.00 -0.27 0.00 0.00 62.75 62.74 1k0s n ILE 71 Cb 0.00 0.00 0.64 0.00 -1.74 0.00 0.00 39.64 38.54 1k0s n ILE 71 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1k0s h SER 72 N 0.00 0.18 -1.04 7.28 0.02 -1.84 -3.43 113.55 114.72 1k0s h SER 72 Ca 0.00 0.03 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 1k0s h SER 72 Cb 0.00 -0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.64 1k0s h SER 72 CO 0.00 0.05 -0.57 0.33 -1.14 0.00 0.00 176.83 175.50 1k0s n PHE 73 N -4.38 -0.99 -2.26 3.45 7.35 -1.26 -4.85 117.46 114.52 1k0s n PHE 73 Ca 0.21 0.64 -0.02 0.00 -0.76 0.00 0.00 57.45 57.52 1k0s n PHE 73 Cb 0.93 -1.48 0.03 0.00 0.35 0.00 0.00 39.48 39.31 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N 1.71 -0.64 -3.49 -2.13 2.03 -1.26 -4.96 116.55 107.80 1k0s n ASP 74 Ca 0.12 -1.37 -0.25 0.00 0.52 0.00 0.00 54.79 53.80 1k0s n ASP 74 Cb 0.25 0.27 0.03 0.00 -0.72 0.00 0.00 41.12 40.95 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N -0.48 -5.37 0.00 -0.67 1.02 -1.26 -4.93 120.64 108.96 1k0s n GLU 75 Ca -0.11 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1k0s n GLU 75 Cb 0.61 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1k0s n GLU 75 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k0s n GLN 76 N -4.37 0.00 -0.06 3.49 1.13 -1.26 -4.71 117.38 111.61 1k0s n GLN 76 Ca -0.02 0.39 -0.10 0.00 -1.94 0.00 0.00 57.00 55.33 1k0s n GLN 76 Cb 0.56 -0.89 -0.15 0.00 0.11 0.00 0.00 30.24 29.88 1k0s n GLN 76 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1k0s n LYS 77 N -1.96 0.67 -0.22 -1.09 4.01 -1.26 -5.02 118.16 113.29 1k0s n LYS 77 Ca 0.00 0.16 -0.08 0.00 -0.51 0.00 0.00 58.31 57.88 1k0s n LYS 77 Cb 0.00 -1.66 -0.00 0.00 -0.51 0.00 0.00 35.03 32.86 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N -2.96 0.00 0.00 1.97 2.81 -1.26 -4.75 117.12 112.93 1k0s n MET 78 Ca -0.26 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1k0s n MET 78 Cb 1.09 -0.16 0.00 0.00 -0.71 0.00 0.00 33.22 33.44 1k0s n MET 78 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1k0s n LYS 79 N 0.16 0.00 -2.63 0.03 2.85 0.34 -4.81 118.16 114.10 1k0s n LYS 79 Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.03 1k0s n LYS 79 Cb 0.04 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.44 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1k0s s SER 80 N -0.94 5.78 -0.05 -5.58 1.04 0.19 -3.78 113.70 110.36 1k0s s SER 80 Ca 0.00 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1k0s s SER 80 Cb 0.00 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 64.40 1k0s s SER 80 CO 0.00 -0.86 -0.07 -0.63 0.98 0.00 0.00 173.24 172.66 1k0s s ILE 81 N -2.80 0.72 0.19 -1.02 1.01 0.87 0.43 121.20 120.60 1k0s s ILE 81 Ca 0.51 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 1k0s s ILE 81 Cb -0.10 -0.71 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1k0s s ILE 81 CO 0.43 0.27 0.46 -0.63 0.00 0.00 0.00 174.94 175.46 1k0s s ILE 82 N 0.90 5.07 0.01 2.92 1.01 0.21 0.60 121.20 131.91 1k0s s ILE 82 Ca -0.11 0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1k0s s ILE 82 Cb -0.15 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1k0s s ILE 82 CO 0.01 -0.06 -0.24 -0.69 0.00 0.00 0.00 174.94 173.96 1k0s s VAL 83 N -1.78 1.94 0.30 2.92 1.01 -0.19 -1.08 120.40 123.52 1k0s s VAL 83 Ca 0.44 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1k0s s VAL 83 Cb -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1k0s s VAL 83 CO 0.24 0.44 0.36 0.00 0.00 0.00 0.00 175.10 176.14 1k0s s ALA 84 N -0.67 0.99 0.05 5.51 0.00 0.26 -1.57 121.76 126.33 1k0s s ALA 84 Ca 0.10 -1.61 0.06 0.00 0.00 0.00 0.00 51.96 50.51 1k0s s ALA 84 Cb -0.09 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.27 1k0s s ALA 84 CO 0.00 -0.73 -0.16 -0.98 0.00 0.00 0.00 175.76 173.89 1k0s s ARG 85 N -3.48 1.06 -0.30 0.00 1.70 -1.21 0.33 118.95 117.05 1k0s s ARG 85 Ca 0.34 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 54.72 1k0s s ARG 85 Cb 0.02 -1.12 0.19 0.00 -0.57 0.00 0.00 34.95 33.47 1k0s s ARG 85 CO 0.19 0.27 0.63 0.95 -1.08 0.00 0.00 175.30 176.27 1k0s s THR 86 N -0.91 -0.95 -1.47 4.99 -4.23 0.33 -4.85 115.64 108.55 1k0s s THR 86 Ca 0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1k0s s THR 86 Cb -0.09 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.79 1k0s s THR 86 CO 0.02 0.00 0.43 1.17 -0.54 0.00 0.00 174.62 175.69 1k0s n LYS 87 N 5.43 -3.01 -2.43 3.99 3.00 -1.26 -0.10 118.16 123.79 1k0s n LYS 87 Ca -0.01 0.36 -0.09 0.00 -0.00 0.00 0.00 58.31 58.58 1k0s n LYS 87 Cb 0.52 -4.51 0.01 0.00 0.00 0.00 0.00 35.03 31.05 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.92 -3.20 -3.82 3.14 9.92 -1.26 -5.02 116.55 113.39 1k0s n ASP 88 Ca -0.25 -0.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.65 1k0s n ASP 88 Cb 0.66 -2.24 -0.16 0.00 -0.64 0.00 0.00 41.12 38.74 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k0s s VAL 89 N -2.66 0.86 -0.72 2.53 1.01 0.86 -5.07 120.40 117.23 1k0s s VAL 89 Ca 0.08 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1k0s s VAL 89 Cb -0.04 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.20 1k0s s VAL 89 CO 0.10 -0.08 1.00 -1.61 0.00 0.00 0.00 175.10 174.51 1k0s s GLU 90 N 1.71 3.21 0.36 2.72 2.02 -1.26 0.12 118.70 127.58 1k0s s GLU 90 Ca -0.01 -1.02 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 1k0s s GLU 90 Cb -0.17 -4.38 -0.06 0.00 0.10 0.00 0.00 34.13 29.62 1k0s s GLU 90 CO -0.07 -1.81 0.68 0.08 0.02 0.00 0.00 175.26 174.16 1k0s s VAL 91 N 3.80 4.87 0.11 2.63 1.01 0.15 -3.66 120.40 129.32 1k0s s VAL 91 Ca 0.24 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1k0s s VAL 91 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1k0s s VAL 91 CO 0.06 -0.43 -0.11 -0.83 0.00 0.00 0.00 175.10 173.80 1k0s s GLY 92 N -3.12 0.93 -0.10 4.51 0.00 -0.15 0.92 107.32 110.32 1k0s s GLY 92 Ca 0.48 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 1k0s s GLY 92 CO 0.30 -1.35 0.24 -0.12 0.00 0.00 0.00 173.10 172.16 1k0s s PHE 93 N -2.60 -0.30 -0.14 1.90 5.36 -0.24 -2.01 117.98 119.94 1k0s s PHE 93 Ca 0.09 0.73 -0.21 0.00 -0.96 0.00 0.00 56.93 56.58 1k0s s PHE 93 Cb -0.02 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.68 1k0s s PHE 93 CO 0.01 -0.21 0.63 -1.17 -1.46 0.00 0.00 175.22 173.02 1k0s s LEU 94 N 1.04 4.23 0.00 6.12 2.96 -0.90 0.64 118.68 132.76 1k0s s LEU 94 Ca -0.08 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1k0s s LEU 94 Cb -0.09 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 1k0s s LEU 94 CO -0.07 -0.17 0.13 1.33 -1.32 0.00 0.00 176.35 176.25 1k0s n VAL 95 N 4.20 0.00 -0.04 1.68 0.24 0.17 -4.68 118.33 119.90 1k0s n VAL 95 Ca -0.02 -1.27 -0.05 0.00 -2.04 0.00 0.00 64.34 60.96 1k0s n VAL 95 Cb 0.51 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -2.16 1.30 -3.79 -1.34 2.03 -1.26 0.13 116.55 111.45 1k0s n ASP 96 Ca 0.02 0.21 -0.25 0.00 0.52 0.00 0.00 54.79 55.29 1k0s n ASP 96 Cb 0.32 -0.58 -0.17 0.00 -0.72 0.00 0.00 41.12 39.97 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1k0s s ARG 97 N -2.26 0.82 -0.30 -0.67 3.52 -1.26 -3.73 118.95 115.07 1k0s s ARG 97 Ca -0.16 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.26 1k0s s ARG 97 Cb 0.02 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 32.05 1k0s s ARG 97 CO 0.24 -0.37 0.13 0.54 -0.81 0.00 0.00 175.30 175.04 1k0s s VAL 98 N 1.89 4.50 0.42 7.11 0.11 -1.26 -0.09 120.40 133.07 1k0s s VAL 98 Ca 0.04 -0.42 0.13 0.00 -2.93 0.00 0.00 61.98 58.80 1k0s s VAL 98 Cb -0.13 -3.28 0.16 0.00 -1.53 0.00 0.00 36.38 31.60 1k0s s VAL 98 CO -0.06 0.10 1.94 -0.07 -3.33 0.00 0.00 175.10 173.68 1k0s h LEU 99 N 8.32 0.04 0.00 2.54 -0.00 0.71 -3.47 115.31 123.45 1k0s h LEU 99 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1k0s h LEU 99 Cb 1.15 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1k0s h LEU 99 CO 0.61 0.26 0.00 0.61 -0.00 0.00 0.00 178.44 179.92 1k0s n GLY 100 N -0.87 1.22 3.65 0.83 0.00 -0.07 -4.89 105.19 105.06 1k0s n GLY 100 Ca -0.02 -0.81 -0.49 0.00 0.00 0.00 0.00 46.02 44.70 1k0s n GLY 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0s n VAL 101 N 0.00 0.09 -4.43 1.61 3.14 -1.25 -0.58 118.33 116.91 1k0s n VAL 101 Ca 0.00 -0.02 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 1k0s n VAL 101 Cb 0.00 -1.29 -0.15 0.00 -1.06 0.00 0.00 33.84 31.34 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1k0s s LEU 102 N 1.31 1.97 -1.27 6.55 2.96 0.34 -4.81 118.68 125.72 1k0s s LEU 102 Ca 0.84 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1k0s s LEU 102 Cb -0.81 -0.54 0.16 0.00 0.50 0.00 0.00 46.19 45.50 1k0s s LEU 102 CO 0.45 0.11 1.76 -2.11 -1.32 0.00 0.00 176.35 175.24 1k0s n ARG 103 N 2.93 3.51 -3.12 1.98 1.85 -1.26 -1.17 116.66 121.37 1k0s n ARG 103 Ca -0.15 -3.58 -0.40 0.00 -1.00 0.00 0.00 57.85 52.73 1k0s n ARG 103 Cb 0.56 -2.99 -0.05 0.00 -1.05 0.00 0.00 32.46 28.93 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.94 5.05 0.20 8.89 -1.09 0.18 -4.81 121.20 130.55 1k0s s ILE 104 Ca 0.41 1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 1k0s s ILE 104 Cb 0.06 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.91 1k0s s ILE 104 CO 0.00 0.18 0.61 0.42 -1.23 0.00 0.00 174.94 174.92 1k0s s THR 105 N 1.42 4.78 -0.50 2.92 -4.23 -1.26 0.88 115.64 119.65 1k0s s THR 105 Ca 0.31 0.90 0.07 0.00 -1.18 0.00 0.00 61.69 61.78 1k0s s THR 105 Cb -0.16 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.19 1k0s s THR 105 CO 0.12 0.14 0.61 1.21 -0.54 0.00 0.00 174.62 176.15 1k0s n GLU 106 N 0.50 1.46 0.00 3.99 2.13 -1.20 -4.80 120.64 122.72 1k0s n GLU 106 Ca -0.03 -3.85 0.14 0.00 0.66 0.00 0.00 57.16 54.09 1k0s n GLU 106 Cb 0.52 -1.69 0.60 0.00 0.27 0.00 0.00 31.44 31.14 1k0s n GLU 106 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k0s n ASN 107 N 1.25 0.05 -0.11 4.31 5.03 -1.21 -3.72 115.26 120.87 1k0s n ASN 107 Ca 0.25 0.35 -0.22 0.00 0.87 0.00 0.00 54.58 55.83 1k0s n ASN 107 Cb 0.47 -0.40 -0.10 0.00 -1.02 0.00 0.00 39.78 38.73 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N -1.47 0.56 0.00 3.52 10.64 -1.26 -3.81 117.38 125.56 1k0s n GLN 108 Ca 0.08 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 1k0s n GLN 108 Cb 0.33 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 1k0s n GLN 108 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1k0s n LEU 109 N -4.40 0.00 -2.47 2.61 0.00 -1.24 0.11 117.00 111.60 1k0s n LEU 109 Ca -0.35 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.53 1k0s n LEU 109 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 43.42 44.15 1k0s n LEU 109 CO 0.14 0.00 0.07 -0.67 0.00 0.00 0.00 177.39 176.93 1k0s n ASP 110 N -2.82 3.12 0.00 1.96 2.03 -1.26 -4.12 116.55 115.45 1k0s n ASP 110 Ca 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1k0s n ASP 110 Cb 0.00 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1k0s n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n LEU 111 N -0.60 0.00 -0.30 -2.67 -0.00 -1.25 -4.98 117.00 107.19 1k0s n LEU 111 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1k0s n LEU 111 Cb 0.86 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.41 1k0s n LEU 111 CO 0.23 0.00 1.19 0.00 -0.00 0.00 0.00 177.39 178.81 1k0s h THR 112 N 0.00 1.06 0.00 1.47 1.03 -1.85 -3.43 112.91 111.18 1k0s h THR 112 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 1k0s h THR 112 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 1k0s h THR 112 CO 0.00 0.18 0.00 0.59 -0.01 0.00 0.00 175.52 176.28 1k0s n ASN 113 N -4.62 0.00 0.00 0.00 5.03 -1.07 -4.98 115.26 109.62 1k0s n ASN 113 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1k0s n ASN 113 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1k0s n VAL 114 N -1.22 0.00 0.00 2.41 0.31 0.30 -4.78 118.33 115.36 1k0s n VAL 114 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k0s n VAL 114 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1k0s n VAL 114 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k0s n SER 115 N 2.62 0.00 0.00 4.52 7.64 -1.26 -3.10 113.62 124.04 1k0s n SER 115 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k0s n SER 115 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1k0s n SER 115 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k0s n ASP 116 N 1.92 0.00 0.00 6.43 2.03 -1.26 -5.04 116.55 120.63 1k0s n ASP 116 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k0s n ASP 116 Cb 0.00 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1k0s n ASP 116 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k0s n LYS 117 N -1.96 0.00 0.00 -0.67 5.02 -1.18 -3.38 118.16 116.00 1k0s n LYS 117 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k0s n LYS 117 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k0s n PHE 118 N 0.00 0.00 0.00 2.13 7.35 -1.26 -2.56 117.46 123.12 1k0s n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1k0s n PHE 118 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k0s n GLY 119 N 0.00 2.89 2.71 7.13 0.00 -1.22 -4.92 105.19 111.78 1k0s n GLY 119 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 0.88 0.00 1.61 5.02 -1.26 -5.00 118.16 119.41 1k0s n LYS 120 Ca 0.00 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 1k0s n LYS 120 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N 0.07 0.00 0.00 1.97 3.00 -1.26 -5.06 118.16 116.88 1k0s n LYS 121 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1k0s n LYS 121 Cb 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N -1.55 1.26 -0.86 3.14 3.41 -1.26 -1.56 113.62 116.20 1k0s n SER 122 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1k0s n SER 122 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k0s n LYS 123 N 0.00 0.00 -3.79 4.33 4.76 -1.26 -4.81 118.16 117.39 1k0s n LYS 123 Ca 0.00 -0.88 -0.13 0.00 -2.87 0.00 0.00 58.31 54.43 1k0s n LYS 123 Cb 0.00 0.08 -0.12 0.00 -1.84 0.00 0.00 35.03 33.16 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k0s s GLY 124 N -0.88 -0.18 -0.49 0.72 0.00 0.17 -4.77 107.32 101.89 1k0s s GLY 124 Ca 0.06 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1k0s s GLY 124 CO -0.03 0.58 0.66 -0.10 0.00 0.00 0.00 173.10 174.21 1k0s n LEU 125 N 2.96 -2.73 -4.91 0.66 -0.00 -1.06 -1.32 117.00 110.60 1k0s n LEU 125 Ca -0.13 -3.29 -0.27 0.00 -0.00 0.00 0.00 56.01 52.32 1k0s n LEU 125 Cb 0.58 0.72 -0.01 0.00 -0.00 0.00 0.00 43.42 44.72 1k0s n LEU 125 CO 0.18 1.93 0.38 0.54 -0.00 0.00 0.00 177.39 180.43 1k0s s VAL 126 N 0.64 4.95 -0.28 1.96 0.11 0.15 -4.81 120.40 123.12 1k0s s VAL 126 Ca 0.31 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1k0s s VAL 126 Cb 0.03 -3.85 0.11 0.00 -1.53 0.00 0.00 36.38 31.14 1k0s s VAL 126 CO -0.10 -0.76 0.84 -1.59 -3.33 0.00 0.00 175.10 170.16 1k0s s LYS 127 N -4.58 0.57 -0.07 1.54 -2.85 -1.26 0.38 119.74 113.47 1k0s s LYS 127 Ca 0.46 0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 56.05 1k0s s LYS 127 Cb -0.10 0.15 0.07 0.00 -2.06 0.00 0.00 37.83 35.89 1k0s s LYS 127 CO 0.42 -0.11 0.67 0.99 0.10 0.00 0.00 175.35 177.42 1k0s s THR 128 N 1.25 0.00 -1.34 3.79 2.01 0.05 -4.93 115.64 116.47 1k0s s THR 128 Ca -0.07 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1k0s s THR 128 Cb -0.04 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1k0s s THR 128 CO -0.15 -0.01 0.91 -0.67 -0.69 0.00 0.00 174.62 174.02 1k0s n ASP 129 N 1.13 -3.05 -2.83 3.53 2.03 -1.26 -1.06 116.55 115.04 1k0s n ASP 129 Ca -0.19 -0.72 -0.20 0.00 0.52 0.00 0.00 54.79 54.21 1k0s n ASP 129 Cb 0.57 -4.42 0.01 0.00 -0.72 0.00 0.00 41.12 36.55 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0s n GLY 130 N -1.58 -0.50 3.00 0.27 0.00 -1.26 -4.96 105.19 100.16 1k0s n GLY 130 Ca -0.17 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1k0s n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 131 N -5.47 1.31 0.07 1.61 1.70 -0.22 -5.14 118.95 112.81 1k0s s ARG 131 Ca 0.19 -0.34 -0.20 0.00 -0.47 0.00 0.00 55.73 54.91 1k0s s ARG 131 Cb -0.09 -1.15 -0.07 0.00 -0.57 0.00 0.00 34.95 33.07 1k0s s ARG 131 CO 0.23 0.06 0.59 -1.17 -1.08 0.00 0.00 175.30 173.93 1k0s s LEU 132 N 0.50 4.52 -0.05 -1.89 2.96 -1.26 -0.77 118.68 122.68 1k0s s LEU 132 Ca -0.09 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1k0s s LEU 132 Cb -0.13 -2.93 0.04 0.00 0.50 0.00 0.00 46.19 43.67 1k0s s LEU 132 CO 0.02 0.24 0.09 -0.63 -1.32 0.00 0.00 176.35 174.75 1k0s s ILE 133 N -0.95 -0.10 0.02 6.68 1.01 0.16 -0.58 121.20 127.44 1k0s s ILE 133 Ca 0.30 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 1k0s s ILE 133 Cb -0.20 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 1k0s s ILE 133 CO 0.19 0.11 0.58 -0.63 0.00 0.00 0.00 174.94 175.20 1k0s s ILE 134 N 1.49 4.85 -0.00 2.92 1.09 0.13 0.34 121.20 132.03 1k0s s ILE 134 Ca -0.05 1.23 0.05 0.00 -1.10 0.00 0.00 60.65 60.78 1k0s s ILE 134 Cb -0.12 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.35 1k0s s ILE 134 CO -0.04 0.46 -0.15 -0.47 -0.10 0.00 0.00 174.94 174.64 1k0s s TYR 135 N -0.49 1.31 0.40 3.97 5.04 -0.43 0.61 117.35 127.77 1k0s s TYR 135 Ca 0.30 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1k0s s TYR 135 Cb -0.19 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 1k0s s TYR 135 CO 0.18 -0.01 0.14 -0.51 -1.34 0.00 0.00 175.55 174.01 1k0s s LEU 136 N -0.48 1.97 0.00 6.97 1.02 -0.54 0.46 118.68 128.08 1k0s s LEU 136 Ca 0.05 -1.69 0.08 0.00 0.02 0.00 0.00 54.13 52.59 1k0s s LEU 136 Cb -0.06 -0.04 0.13 0.00 0.02 0.00 0.00 46.19 46.24 1k0s s LEU 136 CO -0.00 -0.95 1.03 -0.90 0.02 0.00 0.00 176.35 175.55 1k0s n ASP 137 N -1.34 0.28 -0.70 2.29 5.75 -1.26 -2.07 116.55 119.50 1k0s n ASP 137 Ca -0.05 -1.95 -0.01 0.00 -0.01 0.00 0.00 54.79 52.77 1k0s n ASP 137 Cb 0.65 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ILE 138 N 0.15 0.00 -0.04 2.12 3.06 -1.26 -4.75 119.36 118.64 1k0s n ILE 138 Ca 0.01 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1k0s n ILE 138 Cb 0.83 -0.06 -0.00 0.00 0.54 0.00 0.00 39.64 40.94 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 -0.00 0.95 9.51 3.58 -1.94 -2.62 116.42 125.90 1k0s h ASP 139 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 1k0s h ASP 139 Cb 0.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1k0s h ASP 139 CO 0.02 0.43 -0.89 0.11 -2.88 0.00 0.00 179.24 176.03 1k0s h LYS 140 N -0.86 0.00 -0.21 0.28 1.57 -1.86 -2.38 116.57 113.10 1k0s h LYS 140 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1k0s h LYS 140 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1k0s h LYS 140 CO 0.00 0.89 -0.09 0.97 -0.57 0.00 0.00 179.45 180.64 1k0s h ILE 141 N 0.00 1.30 -0.49 1.86 -0.00 -1.47 -2.13 117.51 116.58 1k0s h ILE 141 Ca -0.01 -1.15 -0.04 0.00 -0.00 0.00 0.00 64.86 63.66 1k0s h ILE 141 Cb 1.60 1.61 -0.02 0.00 -0.00 0.00 0.00 36.82 40.01 1k0s h ILE 141 CO 0.12 0.35 0.13 -0.29 -0.00 0.00 0.00 178.15 178.45 1k0s h ILE 142 N 0.15 1.24 -0.90 2.19 6.09 -1.51 -1.61 117.51 123.16 1k0s h ILE 142 Ca 0.05 -0.82 0.22 0.00 -1.37 0.00 0.00 64.86 62.94 1k0s h ILE 142 Cb 0.58 0.84 -0.12 0.00 0.47 0.00 0.00 36.82 38.59 1k0s h ILE 142 CO 0.03 0.29 0.40 -0.08 -3.07 0.00 0.00 178.15 175.72 1k0s h GLU 143 N 0.66 0.40 -0.13 2.19 4.81 -1.29 0.85 114.58 122.06 1k0s h GLU 143 Ca 0.15 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1k0s h GLU 143 Cb 0.31 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1k0s h GLU 143 CO -0.00 0.27 -0.49 0.93 -0.73 0.00 0.00 179.01 178.99 1k0s h GLU 144 N 0.41 0.35 -0.67 1.92 4.39 -0.89 -2.26 114.58 117.83 1k0s h GLU 144 Ca 0.56 -0.19 0.07 0.00 0.34 0.00 0.00 59.36 60.14 1k0s h GLU 144 Cb 1.05 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 1k0s h GLU 144 CO -0.52 0.76 0.44 0.82 -1.16 0.00 0.00 179.01 179.35 1k0s h ILE 145 N 0.28 0.98 0.00 3.13 2.04 0.16 0.42 117.51 124.53 1k0s h ILE 145 Ca 0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1k0s h ILE 145 Cb 0.96 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1k0s h ILE 145 CO 0.08 0.12 -0.22 0.71 0.00 0.00 0.00 178.15 178.84 1k0s h THR 146 N 0.64 1.57 0.00 -0.27 1.35 -1.11 -3.32 112.91 111.77 1k0s h THR 146 Ca 0.30 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1k0s h THR 146 Cb 0.34 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1k0s h THR 146 CO -0.10 0.53 0.00 0.55 -0.25 0.00 0.00 175.52 176.26 1k0s n VAL 147 N -4.59 0.40 -0.32 6.82 3.14 -0.87 -3.82 118.33 119.09 1k0s n VAL 147 Ca -0.13 0.10 0.19 0.00 -2.96 0.00 0.00 64.34 61.53 1k0s n VAL 147 Cb 0.49 -0.80 0.37 0.00 -1.06 0.00 0.00 33.84 32.85 1k0s n VAL 147 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1k0s h LYS 148 N 0.00 0.08 -6.80 1.45 2.10 -0.25 -3.39 116.57 109.75 1k0s h LYS 148 Ca 0.00 -0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1k0s h LYS 148 Cb 0.16 -0.02 0.08 0.00 -0.90 0.00 0.00 32.23 31.56 1k0s h LYS 148 CO 0.00 0.05 0.90 -1.83 -2.00 0.00 0.00 179.45 176.57 1k0s s GLU 149 N -5.86 4.11 0.00 0.07 -1.05 -1.25 -4.63 118.70 110.10 1k0s s GLU 149 Ca -0.12 2.60 0.00 0.00 -0.15 0.00 0.00 54.97 57.31 1k0s s GLU 149 Cb 0.29 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1k0s s GLU 149 CO 0.78 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1k0s n GLY 150 N 2.19 -0.00 0.00 -3.83 0.00 -1.26 -5.14 105.19 97.15 1k0s n GLY 150 Ca 0.08 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70