#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssf n SER 8 N 0.00 4.16 0.00 6.41 7.64 -1.26 -4.45 113.62 126.11 1ssf n SER 8 Ca 0.00 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1ssf n SER 8 Cb 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 1ssf n SER 8 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1ssf n PHE 9 N 6.06 0.00 0.73 1.43 1.16 -1.26 -4.93 117.46 120.65 1ssf n PHE 9 Ca 0.50 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 56.10 1ssf n PHE 9 Cb 0.39 -0.10 0.15 0.00 -1.61 0.00 0.00 39.48 38.31 1ssf n PHE 9 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1ssf n VAL 10 N -2.00 0.00 -1.40 1.97 0.24 -1.26 -1.33 118.33 114.55 1ssf n VAL 10 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 1ssf n VAL 10 Cb 0.00 -0.54 0.16 0.00 -1.47 0.00 0.00 33.84 32.00 1ssf n VAL 10 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ssf n GLY 11 N -0.20 4.72 3.66 7.63 0.00 -1.26 -2.96 105.19 116.79 1ssf n GLY 11 Ca 0.04 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1ssf n GLY 11 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ssf s LEU 12 N -2.85 1.66 -0.24 0.99 2.34 -0.44 -4.76 118.68 115.38 1ssf s LEU 12 Ca 0.34 1.31 -0.18 0.00 0.06 0.00 0.00 54.13 55.66 1ssf s LEU 12 Cb 0.32 -3.51 -0.03 0.00 -0.56 0.00 0.00 46.19 42.41 1ssf s LEU 12 CO -0.03 -3.17 0.52 -0.13 -1.06 0.00 0.00 176.35 172.49 1ssf s ARG 13 N -4.89 4.11 0.16 1.48 3.00 -1.26 -2.51 118.95 119.04 1ssf s ARG 13 Ca 0.65 0.36 0.08 0.00 0.00 0.00 0.00 55.73 56.82 1ssf s ARG 13 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 34.95 31.09 1ssf s ARG 13 CO 0.58 -0.29 -0.17 0.08 0.00 0.00 0.00 175.30 175.51 1ssf s VAL 14 N 2.10 1.70 -0.06 3.52 1.01 -0.90 0.19 120.40 127.96 1ssf s VAL 14 Ca 0.22 -1.92 0.04 0.00 0.00 0.00 0.00 61.98 60.32 1ssf s VAL 14 Cb -0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1ssf s VAL 14 CO 0.09 -0.38 -0.18 0.68 0.00 0.00 0.00 175.10 175.31 1ssf s VAL 15 N -2.21 2.72 -0.28 2.92 -7.23 -0.96 -1.40 120.40 113.96 1ssf s VAL 15 Ca 0.15 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1ssf s VAL 15 Cb -0.05 -2.06 0.07 0.00 0.56 0.00 0.00 36.38 34.91 1ssf s VAL 15 CO 0.06 0.57 -0.04 0.00 -0.31 0.00 0.00 175.10 175.38 1ssf s ALA 16 N -0.38 2.41 -0.06 1.32 0.00 0.34 -2.38 121.76 123.01 1ssf s ALA 16 Ca 0.03 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.14 1ssf s ALA 16 Cb -0.12 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.38 1ssf s ALA 16 CO 0.02 -1.36 0.02 -1.59 0.00 0.00 0.00 175.76 172.85 1ssf s LYS 17 N 1.17 0.37 0.00 0.00 -2.85 0.09 -0.64 119.74 117.88 1ssf s LYS 17 Ca -0.02 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 1ssf s LYS 17 Cb -0.19 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.80 1ssf s LYS 17 CO -0.08 -0.29 0.00 0.91 0.10 0.00 0.00 175.35 176.00 1ssf n TRP 18 N 5.07 0.00 -4.11 1.78 7.02 -1.26 -4.14 117.44 121.80 1ssf n TRP 18 Ca -0.08 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.11 1ssf n TRP 18 Cb 0.50 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 1ssf n TRP 18 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1ssf s SER 19 N -1.00 5.21 -0.32 -0.99 0.01 -1.26 -4.94 113.70 110.41 1ssf s SER 19 Ca 0.00 -0.15 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1ssf s SER 19 Cb 0.00 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 1ssf s SER 19 CO 0.00 0.14 1.97 -0.44 0.41 0.00 0.00 173.24 175.33 1ssf s SER 20 N -2.55 5.64 0.00 2.44 0.01 -1.26 -4.76 113.70 113.22 1ssf s SER 20 Ca 0.28 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.97 1ssf s SER 20 Cb -0.11 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1ssf s SER 20 CO 0.20 -1.89 0.00 -3.20 0.41 0.00 0.00 173.24 168.76 1ssf n ASN 21 N 11.18 0.08 0.00 2.44 4.05 -1.26 -5.02 115.26 126.74 1ssf n ASN 21 Ca 0.26 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.88 1ssf n ASN 21 Cb 0.47 0.82 0.00 0.00 1.23 0.00 0.00 39.78 42.30 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ssf n GLY 22 N 0.85 3.30 3.18 8.20 0.00 -1.26 -5.06 105.19 114.40 1ssf n GLY 22 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ssf n GLY 22 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ssf s TYR 23 N -2.56 0.96 -0.03 1.61 1.13 -1.26 -0.26 117.35 116.95 1ssf s TYR 23 Ca 0.00 -1.11 0.05 0.00 -1.41 0.00 0.00 57.07 54.60 1ssf s TYR 23 Cb 0.00 -0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 40.28 1ssf s TYR 23 CO 0.00 -0.36 -0.17 -0.06 -2.51 0.00 0.00 175.55 172.45 1ssf s PHE 24 N -3.86 2.61 0.38 -3.49 0.08 0.60 -4.83 117.98 109.47 1ssf s PHE 24 Ca 0.21 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1ssf s PHE 24 Cb 0.07 -1.57 0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1ssf s PHE 24 CO 0.01 0.16 0.52 0.66 -0.10 0.00 0.00 175.22 176.47 1ssf n TYR 25 N 2.16 -3.02 -4.24 0.36 4.02 0.19 -2.68 117.16 113.96 1ssf n TYR 25 Ca -0.17 -1.00 -0.35 0.00 -0.01 0.00 0.00 57.90 56.38 1ssf n TYR 25 Cb 0.52 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 1ssf n TYR 25 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1ssf s SER 26 N -3.14 5.52 0.15 7.72 1.04 -1.26 -0.51 113.70 123.22 1ssf s SER 26 Ca 0.35 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.98 1ssf s SER 26 Cb -0.02 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1ssf s SER 26 CO 0.23 0.37 0.06 -0.83 0.98 0.00 0.00 173.24 174.05 1ssf s GLY 27 N -1.03 1.11 0.28 7.32 0.00 -0.49 -4.48 107.32 110.02 1ssf s GLY 27 Ca 0.15 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.38 1ssf s GLY 27 CO 0.04 -1.40 -0.01 0.54 0.00 0.00 0.00 173.10 172.27 1ssf s LYS 28 N -4.04 1.51 0.14 2.90 1.02 -0.27 -2.12 119.74 118.89 1ssf s LYS 28 Ca 0.26 -1.79 0.04 0.00 0.02 0.00 0.00 55.97 54.50 1ssf s LYS 28 Cb 0.07 -0.90 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1ssf s LYS 28 CO 0.04 -0.07 0.17 -1.50 -0.92 0.00 0.00 175.35 173.06 1ssf s ILE 29 N -3.22 4.75 -0.08 2.17 2.07 -1.05 -0.92 121.20 124.92 1ssf s ILE 29 Ca 0.31 -0.90 -0.02 0.00 -1.41 0.00 0.00 60.65 58.64 1ssf s ILE 29 Cb 0.06 -3.40 -0.04 0.00 0.13 0.00 0.00 42.46 39.20 1ssf s ILE 29 CO 0.12 -0.06 -0.09 0.41 -1.91 0.00 0.00 174.94 173.42 1ssf n THR 30 N -0.24 0.45 -3.76 4.00 -1.04 0.46 -4.18 114.28 109.97 1ssf n THR 30 Ca -0.08 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 1ssf n THR 30 Cb 0.54 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.80 1ssf n THR 30 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ssf s ARG 31 N -2.15 1.04 0.10 -2.82 0.52 0.11 -4.67 118.95 111.07 1ssf s ARG 31 Ca -0.11 -0.87 -0.17 0.00 -0.52 0.00 0.00 55.73 54.06 1ssf s ARG 31 Cb 0.04 0.42 -0.07 0.00 0.52 0.00 0.00 34.95 35.86 1ssf s ARG 31 CO 0.16 -0.39 0.56 0.16 0.02 0.00 0.00 175.30 175.82 1ssf s ASP 32 N -2.85 6.96 -0.21 0.23 -4.77 -1.26 -0.74 116.67 114.04 1ssf s ASP 32 Ca 0.06 1.19 -0.04 0.00 -3.30 0.00 0.00 52.55 50.46 1ssf s ASP 32 Cb 0.03 -2.33 -0.01 0.00 -1.09 0.00 0.00 42.92 39.51 1ssf s ASP 32 CO -0.09 0.20 -0.04 0.68 0.70 0.00 0.00 175.17 176.63 1ssf s VAL 33 N -1.26 3.53 0.00 2.11 -7.23 -1.11 -4.75 120.40 111.69 1ssf s VAL 33 Ca 0.32 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1ssf s VAL 33 Cb -0.18 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1ssf s VAL 33 CO 0.19 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 1ssf n GLY 34 N 4.55 0.87 3.49 2.32 0.00 -1.26 -2.69 105.19 112.47 1ssf n GLY 34 Ca -0.18 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1ssf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssf s ALA 35 N -0.38 3.18 0.00 4.61 0.00 -1.26 -4.61 121.76 123.30 1ssf s ALA 35 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1ssf s ALA 35 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1ssf s ALA 35 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1ssf n GLY 36 N 4.47 0.90 3.39 0.00 0.00 -1.26 -5.04 105.19 107.64 1ssf n GLY 36 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1ssf n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ssf s LYS 37 N -0.45 1.47 0.00 1.61 -2.85 -1.09 0.41 119.74 118.85 1ssf s LYS 37 Ca 0.00 -1.76 -0.01 0.00 -1.00 0.00 0.00 55.97 53.20 1ssf s LYS 37 Cb 0.00 -0.84 -0.01 0.00 -2.06 0.00 0.00 37.83 34.93 1ssf s LYS 37 CO 0.00 -0.08 0.01 0.71 0.10 0.00 0.00 175.35 176.09 1ssf s TYR 38 N -3.27 0.10 -0.32 1.78 2.02 -0.52 -2.76 117.35 114.38 1ssf s TYR 38 Ca 0.31 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1ssf s TYR 38 Cb 0.06 -0.08 0.06 0.00 -0.40 0.00 0.00 41.96 41.60 1ssf s TYR 38 CO 0.11 -0.11 0.04 0.21 -1.57 0.00 0.00 175.55 174.24 1ssf s LYS 39 N -0.70 2.34 0.04 -0.62 2.47 0.08 -1.39 119.74 121.96 1ssf s LYS 39 Ca -0.08 -1.37 0.03 0.00 -1.56 0.00 0.00 55.97 52.99 1ssf s LYS 39 Cb -0.05 -3.26 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 1ssf s LYS 39 CO -0.00 -0.71 -0.10 -0.48 0.16 0.00 0.00 175.35 174.22 1ssf s LEU 40 N 1.23 2.21 -0.07 5.43 -0.00 -0.94 -0.40 118.68 126.13 1ssf s LEU 40 Ca -0.02 -0.49 0.01 0.00 -0.00 0.00 0.00 54.13 53.63 1ssf s LEU 40 Cb -0.20 -0.35 0.02 0.00 -0.00 0.00 0.00 46.19 45.66 1ssf s LEU 40 CO -0.02 -0.09 -0.09 -0.22 -0.00 0.00 0.00 176.35 175.94 1ssf s LEU 41 N -1.33 1.41 0.69 1.48 0.20 -0.09 -2.35 118.68 118.68 1ssf s LEU 41 Ca -0.04 -0.25 -0.15 0.00 0.69 0.00 0.00 54.13 54.38 1ssf s LEU 41 Cb -0.09 -0.72 0.02 0.00 -0.43 0.00 0.00 46.19 44.97 1ssf s LEU 41 CO 0.01 -0.03 1.17 -0.36 -0.29 0.00 0.00 176.35 176.84 1ssf s PHE 42 N 1.03 2.30 -1.75 5.38 0.40 -0.01 -1.11 117.98 124.23 1ssf s PHE 42 Ca -0.08 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.85 1ssf s PHE 42 Cb -0.15 -3.35 0.15 0.00 0.51 0.00 0.00 43.02 40.18 1ssf s PHE 42 CO -0.00 -2.21 0.75 -0.40 0.70 0.00 0.00 175.22 174.06 1ssf n ASP 43 N -2.49 0.00 -0.16 1.36 5.75 -1.26 0.15 116.55 119.89 1ssf n ASP 43 Ca 0.12 0.06 0.03 0.00 -0.01 0.00 0.00 54.79 55.00 1ssf n ASP 43 Cb 0.51 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1ssf n ASP 43 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ssf n ASP 44 N -1.13 1.02 0.00 -1.12 5.68 -1.26 -5.05 116.55 114.69 1ssf n ASP 44 Ca 0.02 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1ssf n ASP 44 Cb 0.01 0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1ssf n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ssf n GLY 45 N 0.72 1.26 3.45 6.12 0.00 0.12 -5.09 105.19 111.77 1ssf n GLY 45 Ca 0.03 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1ssf n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ssf s TYR 46 N -2.00 3.22 0.12 1.61 5.04 -1.25 -4.83 117.35 119.26 1ssf s TYR 46 Ca 0.00 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.09 1ssf s TYR 46 Cb 0.00 -2.47 -0.04 0.00 0.35 0.00 0.00 41.96 39.80 1ssf s TYR 46 CO 0.00 -0.51 0.16 -2.00 -1.34 0.00 0.00 175.55 171.86 1ssf s GLU 47 N 1.65 3.10 0.25 4.97 -6.30 -1.26 -0.83 118.70 120.28 1ssf s GLU 47 Ca 0.04 -0.69 -0.20 0.00 -2.50 0.00 0.00 54.97 51.63 1ssf s GLU 47 Cb -0.18 -2.80 0.07 0.00 0.00 0.00 0.00 34.13 31.22 1ssf s GLU 47 CO 0.09 0.54 0.97 0.00 0.02 0.00 0.00 175.26 176.87 1ssf s ASP 49 N -3.33 2.49 0.19 0.00 1.11 -1.26 -2.22 116.67 113.65 1ssf s ASP 49 Ca 0.20 -0.39 -0.09 0.00 0.18 0.00 0.00 52.55 52.45 1ssf s ASP 49 Cb -0.03 -0.37 -0.01 0.00 1.07 0.00 0.00 42.92 43.58 1ssf s ASP 49 CO 0.07 0.25 0.32 0.68 1.18 0.00 0.00 175.17 177.67 1ssf s VAL 50 N -0.40 0.04 0.25 -1.27 -7.23 -0.49 -5.01 120.40 106.30 1ssf s VAL 50 Ca 0.06 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1ssf s VAL 50 Cb -0.09 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1ssf s VAL 50 CO -0.00 -0.20 0.94 -0.76 -0.31 0.00 0.00 175.10 174.78 1ssf s LEU 51 N -2.99 4.61 0.21 1.32 2.01 -1.26 -1.44 118.68 121.14 1ssf s LEU 51 Ca 0.20 1.94 -0.04 0.00 0.01 0.00 0.00 54.13 56.24 1ssf s LEU 51 Cb 0.03 -3.65 0.19 0.00 0.01 0.00 0.00 46.19 42.76 1ssf s LEU 51 CO 0.03 0.13 1.63 1.23 1.01 0.00 0.00 176.35 180.38 1ssf h GLY 52 N 4.04 0.85 -1.72 -3.19 0.00 -0.33 -3.10 103.07 99.62 1ssf h GLY 52 Ca -0.45 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.16 1ssf h GLY 52 CO 0.68 0.66 0.00 0.58 0.00 0.00 0.00 176.54 178.45 1ssf n LYS 53 N -4.12 0.06 0.00 4.80 -0.00 -1.26 -1.71 118.16 115.92 1ssf n LYS 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ssf n LYS 53 Cb 0.43 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 1ssf n LYS 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ssf n ASP 54 N 0.83 0.00 -3.80 -5.58 8.00 -1.17 -4.96 116.55 109.87 1ssf n ASP 54 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1ssf n ASP 54 Cb 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 1ssf n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ssf s ILE 55 N -0.69 1.21 0.14 0.53 -1.09 -0.70 -0.73 121.20 119.88 1ssf s ILE 55 Ca 0.00 -1.64 0.02 0.00 -2.23 0.00 0.00 60.65 56.80 1ssf s ILE 55 Cb 0.00 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1ssf s ILE 55 CO 0.00 -0.66 -0.02 -1.48 -1.23 0.00 0.00 174.94 171.54 1ssf s LEU 56 N 1.43 2.25 -0.48 2.97 0.05 -1.00 -4.61 118.68 119.28 1ssf s LEU 56 Ca 0.10 -1.11 -0.35 0.00 0.05 0.00 0.00 54.13 52.82 1ssf s LEU 56 Cb -0.18 -0.05 -0.14 0.00 -2.05 0.00 0.00 46.19 43.78 1ssf s LEU 56 CO -0.21 -0.53 2.28 0.00 -0.55 0.00 0.00 176.35 177.34 1ssf n LEU 57 N -0.16 1.68 -4.61 1.48 -0.00 -1.26 -2.27 117.00 111.86 1ssf n LEU 57 Ca -0.09 0.32 -0.28 0.00 -0.00 0.00 0.00 56.01 55.96 1ssf n LEU 57 Cb 0.62 -1.20 -0.09 0.00 -0.00 0.00 0.00 43.42 42.76 1ssf n LEU 57 CO 0.32 -0.83 -0.25 0.00 -0.00 0.00 0.00 177.39 176.63 1ssf h ASP 59 N 1.69 0.65 0.00 0.00 1.82 -1.84 -3.36 116.42 115.38 1ssf h ASP 59 Ca -0.41 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.30 1ssf h ASP 59 Cb 1.28 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1ssf h ASP 59 CO 0.70 1.62 0.00 -2.65 -1.61 0.00 0.00 179.24 177.31 1ssf n PRO 60 N -3.85 0.00 -3.97 0.28 -0.02 -1.26 -4.86 135.00 121.32 1ssf n PRO 60 Ca -0.18 0.22 -0.24 0.00 -2.02 0.00 0.00 63.50 61.28 1ssf n PRO 60 Cb 1.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 33.36 1ssf n PRO 60 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ssf s ILE 61 N -1.48 5.19 -0.07 4.25 -1.09 -1.26 -5.02 121.20 121.72 1ssf s ILE 61 Ca 0.00 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1ssf s ILE 61 Cb 0.00 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 1ssf s ILE 61 CO 0.00 -0.20 1.84 -2.84 -1.23 0.00 0.00 174.94 172.51 1ssf s PRO 62 N -3.55 3.96 0.00 2.79 0.02 -1.26 -4.80 135.00 132.16 1ssf s PRO 62 Ca 0.34 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1ssf s PRO 62 Cb -0.10 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1ssf s PRO 62 CO 0.28 -1.14 0.00 1.28 -0.33 0.00 0.00 177.00 177.10 1ssf n LEU 63 N 8.13 0.00 -2.67 -5.54 4.77 -1.26 -1.04 117.00 119.39 1ssf n LEU 63 Ca 0.20 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1ssf n LEU 63 Cb 0.43 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1ssf n LEU 63 CO 0.65 0.00 0.54 -0.67 -1.33 0.00 0.00 177.39 176.58 1ssf n ASP 64 N 0.00 -1.72 -4.32 -1.43 2.03 -0.67 -3.90 116.55 106.54 1ssf n ASP 64 Ca 0.00 -2.30 -0.32 0.00 0.52 0.00 0.00 54.79 52.69 1ssf n ASP 64 Cb 0.00 0.95 -0.15 0.00 -0.72 0.00 0.00 41.12 41.19 1ssf n ASP 64 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ssf s THR 65 N 0.17 2.60 -0.71 5.18 2.01 -0.21 -4.90 115.64 119.77 1ssf s THR 65 Ca 0.17 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1ssf s THR 65 Cb 0.36 -2.04 -0.08 0.00 0.01 0.00 0.00 72.50 70.76 1ssf s THR 65 CO -0.09 0.55 2.19 -1.61 -0.69 0.00 0.00 174.62 174.97 1ssf s GLU 66 N 0.13 2.16 0.43 4.92 2.02 -1.26 -0.55 118.70 126.55 1ssf s GLU 66 Ca -0.09 0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.50 1ssf s GLU 66 Cb -0.15 -4.73 -0.01 0.00 0.10 0.00 0.00 34.13 29.33 1ssf s GLU 66 CO 0.06 -3.57 0.40 0.14 0.02 0.00 0.00 175.26 172.30 1ssf s VAL 67 N 11.89 2.55 -0.13 2.63 -7.23 0.15 -4.82 120.40 125.43 1ssf s VAL 67 Ca 0.83 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1ssf s VAL 67 Cb -0.12 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1ssf s VAL 67 CO 0.12 0.00 0.14 0.28 -0.31 0.00 0.00 175.10 175.33 1ssf s THR 68 N -2.51 5.48 -0.08 5.32 -1.32 -1.00 -0.21 115.64 121.32 1ssf s THR 68 Ca 0.47 0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 61.12 1ssf s THR 68 Cb -0.03 -3.40 -0.04 0.00 -1.51 0.00 0.00 72.50 67.52 1ssf s THR 68 CO 0.28 0.59 0.10 0.00 -2.21 0.00 0.00 174.62 173.38 1ssf s ALA 69 N -0.79 3.68 -0.53 11.08 0.00 0.40 -0.99 121.76 134.61 1ssf s ALA 69 Ca 0.14 -0.74 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 1ssf s ALA 69 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1ssf s ALA 69 CO 0.03 0.64 1.96 -0.51 0.00 0.00 0.00 175.76 177.88 1ssf s LEU 70 N -1.21 3.36 0.21 0.00 2.01 0.75 -3.81 118.68 119.99 1ssf s LEU 70 Ca 0.17 0.69 -0.00 0.00 0.01 0.00 0.00 54.13 55.00 1ssf s LEU 70 Cb -0.12 -2.73 -0.04 0.00 0.01 0.00 0.00 46.19 43.31 1ssf s LEU 70 CO 0.07 -2.34 0.10 -0.55 1.01 0.00 0.00 176.35 174.64 1ssf s SER 71 N 8.51 0.59 0.29 2.29 0.15 -1.26 -5.04 113.70 119.23 1ssf s SER 71 Ca 0.76 -1.36 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 1ssf s SER 71 Cb -0.16 0.28 -0.15 0.00 -1.71 0.00 0.00 66.02 64.29 1ssf s SER 71 CO 0.24 -0.77 0.24 1.21 1.20 0.00 0.00 173.24 175.36 1ssf n GLU 72 N -0.32 0.00 -0.29 5.44 2.13 -1.26 -4.41 120.64 121.93 1ssf n GLU 72 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1ssf n GLU 72 Cb 0.66 -0.90 0.10 0.00 0.27 0.00 0.00 31.44 31.57 1ssf n GLU 72 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1ssf h ASP 73 N 0.54 -0.77 -0.04 4.31 3.32 -1.99 0.17 116.42 121.95 1ssf h ASP 73 Ca -0.30 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ssf h ASP 73 Cb 1.31 0.52 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1ssf h ASP 73 CO 0.46 -0.27 0.00 1.21 -1.72 0.00 0.00 179.24 178.92 1ssf n GLU 74 N -5.54 0.63 -0.00 3.56 2.13 -1.26 -4.73 120.64 115.43 1ssf n GLU 74 Ca 0.12 -1.19 0.00 0.00 0.66 0.00 0.00 57.16 56.75 1ssf n GLU 74 Cb 0.42 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.93 1ssf n GLU 74 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1ssf n TYR 75 N 0.57 0.01 -0.71 4.31 4.02 -0.47 -5.05 117.16 119.85 1ssf n TYR 75 Ca 0.06 -0.49 -0.32 0.00 -0.01 0.00 0.00 57.90 57.15 1ssf n TYR 75 Cb 0.27 -0.05 0.16 0.00 -0.02 0.00 0.00 39.34 39.70 1ssf n TYR 75 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1ssf n PHE 76 N -0.47 -0.86 -4.30 -0.72 1.16 0.47 -4.72 117.46 108.03 1ssf n PHE 76 Ca 0.00 0.21 -0.21 0.00 -1.87 0.00 0.00 57.45 55.59 1ssf n PHE 76 Cb 0.25 -1.79 -0.11 0.00 -1.61 0.00 0.00 39.48 36.22 1ssf n PHE 76 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1ssf s SER 77 N -2.18 2.43 0.15 5.98 1.04 -1.25 -4.96 113.70 114.91 1ssf s SER 77 Ca 0.61 -0.82 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 1ssf s SER 77 Cb -0.20 -0.12 -0.08 0.00 0.10 0.00 0.00 66.02 65.71 1ssf s SER 77 CO 0.65 -0.06 0.80 0.00 0.98 0.00 0.00 173.24 175.60 1ssf s ALA 78 N -1.98 3.42 0.00 5.32 0.00 -1.26 -0.45 121.76 126.81 1ssf s ALA 78 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1ssf s ALA 78 Cb -0.06 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1ssf s ALA 78 CO 0.05 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1ssf n GLY 79 N 1.71 4.34 3.27 0.00 0.00 0.71 -4.89 105.19 110.33 1ssf n GLY 79 Ca -0.05 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1ssf n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssf s VAL 80 N -1.71 1.92 0.04 1.61 1.01 0.03 -0.67 120.40 122.64 1ssf s VAL 80 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1ssf s VAL 80 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1ssf s VAL 80 CO 0.00 0.54 1.12 0.54 0.00 0.00 0.00 175.10 177.30 1ssf s VAL 81 N -0.42 4.32 0.00 2.92 0.11 0.28 0.17 120.40 127.79 1ssf s VAL 81 Ca 0.05 1.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 1ssf s VAL 81 Cb -0.11 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 1ssf s VAL 81 CO 0.01 0.13 0.00 1.17 -3.33 0.00 0.00 175.10 173.08 1ssf n LYS 82 N 3.90 0.00 -3.57 1.54 4.81 -1.04 -1.66 118.16 122.14 1ssf n LYS 82 Ca 0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 1ssf n LYS 82 Cb 0.48 -0.85 -0.06 0.00 0.02 0.00 0.00 35.03 34.61 1ssf n LYS 82 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1ssf s GLY 83 N -3.76 -0.50 0.02 3.14 0.00 -1.22 -4.70 107.32 100.30 1ssf s GLY 83 Ca 0.00 1.73 -0.07 0.00 0.00 0.00 0.00 44.72 46.38 1ssf s GLY 83 CO 0.00 1.28 0.13 -2.38 0.00 0.00 0.00 173.10 172.13 1ssf s HIS 84 N -0.58 0.10 0.02 1.90 -3.43 -1.26 -1.19 115.29 110.86 1ssf s HIS 84 Ca -0.05 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 53.94 1ssf s HIS 84 Cb -0.02 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 31.03 1ssf s HIS 84 CO 0.05 -0.34 -0.07 -0.98 -2.00 0.00 0.00 174.74 171.40 1ssf s ARG 85 N -2.00 0.50 -0.03 -0.38 1.04 -0.91 -5.05 118.95 112.12 1ssf s ARG 85 Ca -0.10 -0.55 0.00 0.00 -1.04 0.00 0.00 55.73 54.05 1ssf s ARG 85 Cb -0.04 -0.35 0.03 0.00 -2.04 0.00 0.00 34.95 32.54 1ssf s ARG 85 CO -0.01 0.08 0.01 0.21 -0.04 0.00 0.00 175.30 175.54 1ssf s LYS 86 N -1.03 0.23 0.26 3.89 2.20 -1.26 -2.20 119.74 121.83 1ssf s LYS 86 Ca -0.05 0.12 0.09 0.00 -0.36 0.00 0.00 55.97 55.77 1ssf s LYS 86 Cb -0.07 -0.47 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 1ssf s LYS 86 CO 0.00 -0.17 -0.15 -2.00 -0.36 0.00 0.00 175.35 172.68 1ssf s GLU 87 N 1.17 1.54 -0.71 4.03 2.12 0.60 -5.03 118.70 122.42 1ssf s GLU 87 Ca -0.08 -1.72 -0.28 0.00 0.36 0.00 0.00 54.97 53.26 1ssf s GLU 87 Cb -0.13 -1.43 -0.27 0.00 0.26 0.00 0.00 34.13 32.56 1ssf s GLU 87 CO -0.02 0.21 1.92 -1.13 -0.54 0.00 0.00 175.26 175.70 1ssf n SER 88 N -0.54 1.41 0.00 -1.70 3.41 -1.26 -1.61 113.62 113.33 1ssf n SER 88 Ca -0.06 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1ssf n SER 88 Cb 0.61 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1ssf n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ssf n GLY 89 N 5.65 0.87 2.88 5.00 0.00 -1.26 -5.09 105.19 113.24 1ssf n GLY 89 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1ssf n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssf s GLU 90 N -0.54 1.38 -0.21 1.61 0.41 -0.64 -5.12 118.70 115.60 1ssf s GLU 90 Ca 0.00 -0.71 -0.01 0.00 -0.41 0.00 0.00 54.97 53.83 1ssf s GLU 90 Cb 0.00 -2.30 0.01 0.00 -1.78 0.00 0.00 34.13 30.06 1ssf s GLU 90 CO 0.00 -0.55 -0.11 -1.17 -0.49 0.00 0.00 175.26 172.94 1ssf s LEU 91 N 1.57 2.60 -0.09 1.80 0.20 -1.26 -0.29 118.68 123.21 1ssf s LEU 91 Ca -0.03 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.19 1ssf s LEU 91 Cb -0.17 -1.62 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1ssf s LEU 91 CO -0.07 -0.02 0.19 -0.72 -0.29 0.00 0.00 176.35 175.43 1ssf s TYR 92 N 1.38 -0.24 -0.18 5.38 1.13 -0.93 -3.46 117.35 120.43 1ssf s TYR 92 Ca 0.05 0.64 -0.06 0.00 -1.41 0.00 0.00 57.07 56.29 1ssf s TYR 92 Cb -0.14 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.61 1ssf s TYR 92 CO -0.08 -0.22 0.02 0.71 -2.51 0.00 0.00 175.55 173.47 1ssf s TYR 93 N 1.51 3.13 -0.75 -3.49 1.51 0.18 -2.14 117.35 117.30 1ssf s TYR 93 Ca -0.06 -0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.65 1ssf s TYR 93 Cb -0.11 -2.04 0.11 0.00 -0.11 0.00 0.00 41.96 39.81 1ssf s TYR 93 CO -0.07 0.01 0.93 -1.54 -1.11 0.00 0.00 175.55 173.78 1ssf s SER 94 N 0.50 6.39 -0.28 2.29 1.04 -0.33 -0.85 113.70 122.46 1ssf s SER 94 Ca 0.00 -1.63 -0.12 0.00 0.48 0.00 0.00 55.95 54.68 1ssf s SER 94 Cb -0.13 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1ssf s SER 94 CO 0.02 -1.15 0.23 -0.63 0.98 0.00 0.00 173.24 172.69 1ssf s ILE 95 N 2.87 5.28 -0.37 -1.02 -1.09 0.04 -2.49 121.20 124.43 1ssf s ILE 95 Ca 0.23 0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 58.67 1ssf s ILE 95 Cb -0.14 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1ssf s ILE 95 CO 0.00 0.23 0.79 -0.70 -1.23 0.00 0.00 174.94 174.03 1ssf s GLU 96 N 1.82 3.73 -0.07 2.79 2.12 0.13 -0.01 118.70 129.20 1ssf s GLU 96 Ca 0.09 0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.67 1ssf s GLU 96 Cb -0.16 -3.82 0.04 0.00 0.26 0.00 0.00 34.13 30.45 1ssf s GLU 96 CO 0.11 -0.87 0.14 0.21 -0.54 0.00 0.00 175.26 174.30 1ssf s LYS 97 N 3.12 0.06 0.00 4.30 2.36 0.26 -0.79 119.74 129.05 1ssf s LYS 97 Ca 0.31 0.42 0.00 0.00 -2.55 0.00 0.00 55.97 54.15 1ssf s LYS 97 Cb -0.13 -0.23 0.00 0.00 -1.05 0.00 0.00 37.83 36.42 1ssf s LYS 97 CO 0.17 -0.22 0.00 0.39 1.55 0.00 0.00 175.35 177.25 1ssf n GLU 98 N 4.61 -0.60 0.00 4.03 1.02 -1.26 -1.52 120.64 126.91 1ssf n GLU 98 Ca -0.19 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1ssf n GLU 98 Cb 0.51 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.70 1ssf n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ssf n GLY 99 N -1.18 1.82 3.65 0.62 0.00 -1.26 -5.11 105.19 103.72 1ssf n GLY 99 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ssf n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ssf s GLN 100 N -0.03 2.01 -0.20 1.61 1.03 -0.58 -5.14 119.66 118.35 1ssf s GLN 100 Ca 0.00 -2.10 -0.12 0.00 0.04 0.00 0.00 55.36 53.17 1ssf s GLN 100 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 33.01 31.32 1ssf s GLN 100 CO 0.00 -0.08 0.24 0.50 -2.54 0.00 0.00 175.29 173.41 1ssf s ARG 101 N -3.75 4.16 -0.19 9.60 6.06 -1.26 0.93 118.95 134.50 1ssf s ARG 101 Ca 0.33 -0.06 -0.07 0.00 -2.50 0.00 0.00 55.73 53.43 1ssf s ARG 101 Cb 0.09 -3.49 -0.03 0.00 0.06 0.00 0.00 34.95 31.57 1ssf s ARG 101 CO 0.17 0.13 0.04 0.15 -2.50 0.00 0.00 175.30 173.29 1ssf s LYS 102 N 0.84 3.83 -0.48 5.12 1.02 0.98 -4.93 119.74 126.12 1ssf s LYS 102 Ca 0.12 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 1ssf s LYS 102 Cb -0.13 -3.18 0.08 0.00 -0.52 0.00 0.00 37.83 34.08 1ssf s LYS 102 CO 0.04 0.15 0.41 -1.58 -0.92 0.00 0.00 175.35 173.44 1ssf s TRP 103 N 0.69 3.24 -0.16 3.18 0.52 -1.26 -0.78 118.94 124.38 1ssf s TRP 103 Ca 0.02 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.22 1ssf s TRP 103 Cb -0.14 -3.21 0.01 0.00 -1.15 0.00 0.00 33.47 28.98 1ssf s TRP 103 CO 0.02 -0.81 -0.20 0.71 0.02 0.00 0.00 176.95 176.69 1ssf s TYR 104 N 1.65 2.73 0.45 -1.98 2.02 -0.03 -4.88 117.35 117.31 1ssf s TYR 104 Ca 0.04 -1.37 -0.25 0.00 -0.37 0.00 0.00 57.07 55.12 1ssf s TYR 104 Cb -0.25 -1.86 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 1ssf s TYR 104 CO 0.07 -0.65 1.31 0.15 -1.57 0.00 0.00 175.55 174.86 1ssf s LYS 105 N 0.97 3.73 0.16 -0.62 1.02 -1.22 -0.65 119.74 123.12 1ssf s LYS 105 Ca -0.03 2.16 -0.01 0.00 0.02 0.00 0.00 55.97 58.11 1ssf s LYS 105 Cb -0.15 -2.59 0.36 0.00 -0.52 0.00 0.00 37.83 34.93 1ssf s LYS 105 CO -0.05 -0.69 0.85 -2.13 -0.92 0.00 0.00 175.35 172.41 1ssf n ARG 106 N -0.24 -0.05 0.04 1.68 3.00 -1.26 -0.93 116.66 118.91 1ssf n ARG 106 Ca 0.06 0.82 0.04 0.00 -0.00 0.00 0.00 57.85 58.77 1ssf n ARG 106 Cb 0.44 -1.28 0.18 0.00 0.00 0.00 0.00 32.46 31.80 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ssf n MET 107 N -4.74 0.04 0.00 -0.14 0.00 -1.26 -2.50 117.12 108.52 1ssf n MET 107 Ca 0.11 0.51 0.12 0.00 0.00 0.00 0.00 57.70 58.44 1ssf n MET 107 Cb 0.37 -1.62 0.19 0.00 0.00 0.00 0.00 33.22 32.15 1ssf n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ssf n ALA 108 N -1.57 3.44 -3.07 3.17 0.00 -0.10 -4.81 120.51 117.57 1ssf n ALA 108 Ca -0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 1ssf n ALA 108 Cb 0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.33 1ssf n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ssf s VAL 109 N -2.58 1.44 0.08 0.00 -7.23 -1.04 -0.18 120.40 110.89 1ssf s VAL 109 Ca 0.20 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 1ssf s VAL 109 Cb 0.18 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1ssf s VAL 109 CO 0.59 0.42 0.07 2.30 -0.31 0.00 0.00 175.10 178.17 1ssf n ILE 110 N 3.34 0.00 -3.79 -0.62 -6.64 -0.16 -4.80 119.36 106.69 1ssf n ILE 110 Ca -0.19 -0.58 -0.12 0.00 -1.77 0.00 0.00 62.75 60.09 1ssf n ILE 110 Cb 0.53 0.29 -0.09 0.00 -1.44 0.00 0.00 39.64 38.93 1ssf n ILE 110 CO 0.00 0.00 0.00 -1.48 -1.77 0.00 0.00 176.55 173.30 1ssf s LEU 111 N 0.00 1.04 0.53 7.28 2.34 -1.09 -2.38 118.68 126.41 1ssf s LEU 111 Ca 0.09 -0.07 -0.08 0.00 0.06 0.00 0.00 54.13 54.13 1ssf s LEU 111 Cb 0.00 1.14 -0.04 0.00 -0.56 0.00 0.00 46.19 46.73 1ssf s LEU 111 CO 0.07 -0.48 0.89 -0.94 -1.06 0.00 0.00 176.35 174.83 1ssf s SER 112 N -1.56 6.28 0.54 1.48 1.04 -1.26 -0.29 113.70 119.92 1ssf s SER 112 Ca -0.11 1.16 0.22 0.00 0.48 0.00 0.00 55.95 57.70 1ssf s SER 112 Cb -0.04 -2.35 1.47 0.00 0.10 0.00 0.00 66.02 65.20 1ssf s SER 112 CO 0.02 -0.68 2.16 -0.07 0.98 0.00 0.00 173.24 175.65 1ssf h LEU 113 N 0.10 0.00 0.00 2.42 -0.00 -0.99 0.15 115.31 116.99 1ssf h LEU 113 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1ssf h LEU 113 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1ssf h LEU 113 CO 0.62 0.04 -0.35 -0.62 -0.00 0.00 0.00 178.44 178.13 1ssf n GLU 114 N -4.16 0.06 0.01 1.13 1.02 -1.26 0.12 120.64 117.55 1ssf n GLU 114 Ca -0.03 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1ssf n GLU 114 Cb 0.12 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1ssf n GLU 114 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ssf h GLN 115 N 0.00 0.04 0.09 3.49 5.75 -1.86 -3.31 115.11 119.31 1ssf h GLN 115 Ca 0.00 -0.08 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 1ssf h GLN 115 Cb 0.55 0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.14 1ssf h GLN 115 CO 0.00 0.72 -0.55 0.78 -2.65 0.00 0.00 178.83 177.13 1ssf h GLY 116 N 3.04 0.24 2.00 2.39 0.00 -0.95 -3.37 103.07 106.43 1ssf h GLY 116 Ca -0.23 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1ssf h GLY 116 CO 0.10 0.53 0.00 3.43 0.00 0.00 0.00 176.54 180.60 1ssf h ASN 117 N -0.55 0.00 0.54 0.19 2.35 0.63 -1.35 115.58 117.38 1ssf h ASN 117 Ca -0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1ssf h ASN 117 Cb 1.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 1ssf h ASN 117 CO 0.10 0.00 -0.25 0.08 -1.65 0.00 0.00 177.43 175.71 1ssf h ARG 118 N 0.00 0.00 0.12 0.81 -0.00 -1.73 -3.06 114.38 110.53 1ssf h ARG 118 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.63 1ssf h ARG 118 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.75 1ssf h ARG 118 CO 0.00 0.25 -1.85 1.25 -0.00 0.00 0.00 179.97 179.62 1ssf h LEU 119 N 0.00 0.40 -1.91 0.08 6.46 -1.61 -3.42 115.31 115.31 1ssf h LEU 119 Ca -0.00 -0.78 0.30 0.00 -0.12 0.00 0.00 57.88 57.29 1ssf h LEU 119 Cb 0.59 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1ssf h LEU 119 CO 0.03 1.68 0.76 0.08 -0.62 0.00 0.00 178.44 180.37 1ssf h ARG 120 N 0.07 0.05 0.00 1.25 0.11 -1.15 0.40 114.38 115.12 1ssf h ARG 120 Ca -0.37 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.63 1ssf h ARG 120 Cb 2.04 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 33.10 1ssf h ARG 120 CO 0.12 0.03 -1.55 -0.85 0.10 0.00 0.00 179.97 177.82 1ssf n GLU 121 N -4.27 0.63 -0.10 0.08 0.28 -1.26 -1.82 120.64 114.18 1ssf n GLU 121 Ca 0.23 0.04 -0.19 0.00 -0.16 0.00 0.00 57.16 57.07 1ssf n GLU 121 Cb 1.10 -1.70 -0.08 0.00 1.43 0.00 0.00 31.44 32.19 1ssf n GLU 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ssf n GLN 122 N -2.61 0.46 0.00 3.44 10.64 0.23 -4.94 117.38 124.60 1ssf n GLN 122 Ca -0.07 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1ssf n GLN 122 Cb 0.69 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.77 1ssf n GLN 122 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ssf n TYR 123 N -3.62 0.00 0.00 2.61 4.01 0.11 -5.04 117.16 115.23 1ssf n TYR 123 Ca -0.39 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 1ssf n TYR 123 Cb 0.82 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 1ssf n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ssf n GLY 124 N -0.21 -1.26 0.15 2.72 0.00 -1.25 -4.69 105.19 100.65 1ssf n GLY 124 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1ssf n GLY 124 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ssf n LEU 125 N 0.00 0.00 0.00 0.99 -0.00 -1.25 -4.12 117.00 112.62 1ssf n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ssf n LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ssf n LEU 125 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1ssf n GLY 126 N -0.09 -1.36 0.02 -3.96 0.00 -0.76 -4.66 105.19 94.39 1ssf n GLY 126 Ca 0.00 0.97 0.14 0.00 0.00 0.00 0.00 46.02 47.13 1ssf n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ssf n PRO 127 N 0.00 0.06 -3.95 1.61 -0.04 -1.26 -4.59 135.00 126.84 1ssf n PRO 127 Ca 0.00 0.05 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 1ssf n PRO 127 Cb 0.00 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 1ssf n PRO 127 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ssf s TYR 128 N -3.02 2.95 0.00 0.54 5.04 -1.26 -4.84 117.35 116.76 1ssf s TYR 128 Ca 0.13 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 1ssf s TYR 128 Cb 0.17 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1ssf s TYR 128 CO 0.56 -0.63 0.08 0.39 -1.34 0.00 0.00 175.55 174.61