#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssf h SER 8 N 0.00 -0.16 0.25 0.53 4.64 -2.02 -3.38 113.55 113.41 1ssf h SER 8 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1ssf h SER 8 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ssf h SER 8 CO 0.00 0.43 -0.63 0.49 -0.87 0.00 0.00 176.83 176.24 1ssf n PHE 9 N -4.88 0.00 0.76 4.77 3.72 -1.26 -4.40 117.46 116.16 1ssf n PHE 9 Ca -0.07 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.40 1ssf n PHE 9 Cb 0.24 -0.13 0.38 0.00 -0.94 0.00 0.00 39.48 39.04 1ssf n PHE 9 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ssf n VAL 10 N -1.26 0.37 -2.73 -4.37 0.24 -1.26 -2.50 118.33 106.83 1ssf n VAL 10 Ca 0.06 0.09 -0.04 0.00 -2.04 0.00 0.00 64.34 62.42 1ssf n VAL 10 Cb 0.35 -0.87 0.04 0.00 -1.47 0.00 0.00 33.84 31.90 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 -0.10 2.30 3.90 7.63 0.00 -1.25 -4.26 105.19 113.41 1ssf n GLY 11 Ca 0.08 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 1ssf n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ssf s LEU 12 N -3.70 3.30 -0.30 0.99 2.96 -1.04 -4.96 118.68 115.93 1ssf s LEU 12 Ca 0.30 0.99 -0.05 0.00 -0.22 0.00 0.00 54.13 55.15 1ssf s LEU 12 Cb 0.35 -3.90 0.03 0.00 0.50 0.00 0.00 46.19 43.17 1ssf s LEU 12 CO -0.02 -0.92 0.05 -0.13 -1.32 0.00 0.00 176.35 174.00 1ssf s ARG 13 N -5.01 2.80 0.22 1.98 0.52 -1.26 -2.64 118.95 115.55 1ssf s ARG 13 Ca 0.53 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 1ssf s ARG 13 Cb -0.11 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1ssf s ARG 13 CO 0.48 -0.53 -0.04 0.14 0.02 0.00 0.00 175.30 175.37 1ssf s VAL 14 N 1.40 1.18 0.17 3.52 -7.23 -0.76 -1.24 120.40 117.44 1ssf s VAL 14 Ca -0.00 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1ssf s VAL 14 Cb -0.18 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1ssf s VAL 14 CO 0.01 -0.43 -0.16 0.68 -0.31 0.00 0.00 175.10 174.89 1ssf s VAL 15 N -3.32 1.67 -0.26 1.32 -7.23 -1.09 -2.03 120.40 109.45 1ssf s VAL 15 Ca 0.26 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1ssf s VAL 15 Cb 0.04 -1.83 0.07 0.00 0.56 0.00 0.00 36.38 35.22 1ssf s VAL 15 CO 0.07 -0.43 -0.02 0.00 -0.31 0.00 0.00 175.10 174.40 1ssf s ALA 16 N -2.38 2.04 -0.05 1.32 0.00 0.50 -2.05 121.76 121.14 1ssf s ALA 16 Ca 0.16 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1ssf s ALA 16 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1ssf s ALA 16 CO 0.06 -1.31 -0.21 0.15 0.00 0.00 0.00 175.76 174.45 1ssf s LYS 17 N 1.35 2.14 -0.18 0.00 1.02 -0.09 -0.64 119.74 123.34 1ssf s LYS 17 Ca -0.02 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1ssf s LYS 17 Cb -0.19 -1.83 -0.12 0.00 -0.52 0.00 0.00 37.83 35.17 1ssf s LYS 17 CO -0.08 0.30 0.03 0.91 -0.92 0.00 0.00 175.35 175.59 1ssf n TRP 18 N 3.06 0.95 -4.23 3.18 7.02 -1.26 -4.08 117.44 122.07 1ssf n TRP 18 Ca -0.18 0.41 -0.20 0.00 -1.02 0.00 0.00 57.50 56.51 1ssf n TRP 18 Cb 0.52 -0.96 -0.12 0.00 -2.42 0.00 0.00 31.31 28.34 1ssf n TRP 18 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1ssf s SER 19 N -6.39 2.08 -0.26 -0.99 0.15 -1.26 -4.95 113.70 102.07 1ssf s SER 19 Ca -0.23 -0.71 -0.28 0.00 0.70 0.00 0.00 55.95 55.43 1ssf s SER 19 Cb 0.04 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.21 1ssf s SER 19 CO 0.43 -0.06 2.25 -1.20 1.20 0.00 0.00 173.24 175.86 1ssf n SER 20 N 0.93 3.07 -0.10 5.45 7.64 -1.26 -4.87 113.62 124.48 1ssf n SER 20 Ca -0.18 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 1ssf n SER 20 Cb 0.55 -1.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.06 1ssf n SER 20 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ssf n ASN 21 N 12.12 0.47 0.00 6.43 5.03 -1.26 -5.01 115.26 133.04 1ssf n ASN 21 Ca 0.32 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.78 1ssf n ASN 21 Cb 0.44 0.63 0.00 0.00 -1.02 0.00 0.00 39.78 39.83 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ssf n GLY 22 N 1.83 3.09 3.04 7.41 0.00 -1.26 -5.06 105.19 114.25 1ssf n GLY 22 Ca -0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.69 0.55 0.02 1.61 -0.85 -1.26 -0.79 117.35 113.93 1ssf s TYR 23 Ca 0.00 -0.56 0.08 0.00 -0.52 0.00 0.00 57.07 56.07 1ssf s TYR 23 Cb 0.00 -0.34 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 1ssf s TYR 23 CO 0.00 -0.13 -0.22 -0.06 -1.52 0.00 0.00 175.55 173.61 1ssf s PHE 24 N -1.63 2.44 0.15 -3.49 0.08 0.58 -4.85 117.98 111.25 1ssf s PHE 24 Ca -0.10 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1ssf s PHE 24 Cb -0.08 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1ssf s PHE 24 CO -0.01 0.14 0.20 0.66 -0.10 0.00 0.00 175.22 176.11 1ssf n TYR 25 N 1.89 -3.21 -4.06 0.36 4.01 0.18 -2.79 117.16 113.55 1ssf n TYR 25 Ca -0.17 -0.38 -0.34 0.00 -0.16 0.00 0.00 57.90 56.85 1ssf n TYR 25 Cb 0.52 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 1ssf n TYR 25 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1ssf s SER 26 N -1.82 5.48 0.11 7.72 1.04 -1.26 -0.37 113.70 124.59 1ssf s SER 26 Ca 0.14 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 1ssf s SER 26 Cb -0.01 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1ssf s SER 26 CO 0.09 0.16 0.03 -0.83 0.98 0.00 0.00 173.24 173.67 1ssf s GLY 27 N 0.42 0.88 0.03 7.32 0.00 -0.86 -4.08 107.32 111.03 1ssf s GLY 27 Ca 0.02 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1ssf s GLY 27 CO 0.01 -1.37 -0.13 -1.59 0.00 0.00 0.00 173.10 170.02 1ssf s LYS 28 N -4.01 0.89 -0.03 2.90 -2.85 0.04 -1.83 119.74 114.85 1ssf s LYS 28 Ca 0.20 -0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 54.44 1ssf s LYS 28 Cb 0.07 -0.87 -0.04 0.00 -2.06 0.00 0.00 37.83 34.93 1ssf s LYS 28 CO -0.01 0.22 0.20 0.42 0.10 0.00 0.00 175.35 176.28 1ssf s ILE 29 N -0.75 5.40 -0.00 3.79 -1.09 -1.08 -0.87 121.20 126.60 1ssf s ILE 29 Ca 0.01 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1ssf s ILE 29 Cb -0.07 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1ssf s ILE 29 CO 0.01 0.43 0.01 0.41 -1.23 0.00 0.00 174.94 174.57 1ssf n THR 30 N 1.31 0.01 -3.63 2.92 -1.04 -0.54 -3.87 114.28 109.43 1ssf n THR 30 Ca -0.14 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 61.76 1ssf n THR 30 Cb 0.53 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.12 1ssf n THR 30 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ssf s ARG 31 N -2.04 1.43 -0.09 -2.82 3.52 -1.08 -4.67 118.95 113.20 1ssf s ARG 31 Ca -0.00 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 1ssf s ARG 31 Cb 0.00 0.57 -0.03 0.00 -1.56 0.00 0.00 34.95 33.93 1ssf s ARG 31 CO 0.03 -0.63 0.03 0.16 -0.81 0.00 0.00 175.30 174.08 1ssf s ASP 32 N -2.83 5.49 -0.21 -2.12 1.47 -1.26 -0.75 116.67 116.45 1ssf s ASP 32 Ca 0.06 0.21 -0.06 0.00 1.18 0.00 0.00 52.55 53.94 1ssf s ASP 32 Cb -0.02 -1.61 -0.03 0.00 -0.34 0.00 0.00 42.92 40.92 1ssf s ASP 32 CO -0.05 0.38 0.03 0.68 0.68 0.00 0.00 175.17 176.89 1ssf s VAL 33 N -0.90 4.20 0.00 2.11 -7.23 -1.18 -4.77 120.40 112.64 1ssf s VAL 33 Ca 0.13 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1ssf s VAL 33 Cb -0.11 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1ssf s VAL 33 CO 0.03 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1ssf n GLY 34 N 4.26 0.00 3.38 2.32 0.00 -1.26 -2.75 105.19 111.14 1ssf n GLY 34 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.23 -0.21 4.61 0.00 -1.26 -4.57 121.76 123.56 1ssf s ALA 35 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1ssf s ALA 35 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1ssf s ALA 35 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1ssf n GLY 36 N 4.96 0.41 3.24 0.00 0.00 -1.26 -4.99 105.19 107.54 1ssf n GLY 36 Ca -0.13 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.18 1.05 -0.01 1.61 -2.85 -1.11 0.87 119.74 116.13 1ssf s LYS 37 Ca 0.00 -1.47 0.01 0.00 -1.00 0.00 0.00 55.97 53.51 1ssf s LYS 37 Cb 0.00 -0.44 0.01 0.00 -2.06 0.00 0.00 37.83 35.33 1ssf s LYS 37 CO 0.00 -0.01 -0.02 0.71 0.10 0.00 0.00 175.35 176.13 1ssf s TYR 38 N -3.48 0.23 -0.32 1.78 2.02 0.05 -3.10 117.35 114.52 1ssf s TYR 38 Ca 0.19 -0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.76 1ssf s TYR 38 Cb 0.04 -0.20 -0.01 0.00 -0.40 0.00 0.00 41.96 41.40 1ssf s TYR 38 CO 0.01 -0.03 0.17 0.21 -1.57 0.00 0.00 175.55 174.34 1ssf s LYS 39 N 0.20 3.36 0.13 -0.62 2.20 0.07 -1.18 119.74 123.90 1ssf s LYS 39 Ca -0.02 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 54.94 1ssf s LYS 39 Cb -0.04 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1ssf s LYS 39 CO -0.01 -0.42 -0.12 -0.48 -0.36 0.00 0.00 175.35 173.96 1ssf s LEU 40 N 1.63 2.46 0.03 5.43 -0.00 -0.97 -1.47 118.68 125.79 1ssf s LEU 40 Ca 0.05 -0.89 0.05 0.00 -0.00 0.00 0.00 54.13 53.34 1ssf s LEU 40 Cb -0.17 -0.44 -0.02 0.00 -0.00 0.00 0.00 46.19 45.56 1ssf s LEU 40 CO 0.07 -0.23 -0.15 -0.22 -0.00 0.00 0.00 176.35 175.82 1ssf s LEU 41 N -2.75 2.14 0.50 1.48 0.20 -0.04 -1.98 118.68 118.23 1ssf s LEU 41 Ca 0.12 -0.42 -0.20 0.00 0.69 0.00 0.00 54.13 54.31 1ssf s LEU 41 Cb -0.02 -0.67 -0.08 0.00 -0.43 0.00 0.00 46.19 45.00 1ssf s LEU 41 CO 0.02 0.08 1.07 -0.36 -0.29 0.00 0.00 176.35 176.86 1ssf s PHE 42 N -0.74 2.89 -1.23 5.38 0.40 -0.14 -0.78 117.98 123.76 1ssf s PHE 42 Ca 0.03 1.57 0.02 0.00 -0.60 0.00 0.00 56.93 57.94 1ssf s PHE 42 Cb -0.07 -3.15 0.08 0.00 0.51 0.00 0.00 43.02 40.39 1ssf s PHE 42 CO 0.01 -1.09 0.95 -0.40 0.70 0.00 0.00 175.22 175.39 1ssf n ASP 43 N -1.04 0.00 -0.60 1.36 5.75 -1.26 0.21 116.55 120.97 1ssf n ASP 43 Ca 0.10 0.37 0.08 0.00 -0.01 0.00 0.00 54.79 55.33 1ssf n ASP 43 Cb 0.52 -0.39 0.05 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.39 2.22 0.00 -1.12 5.68 -1.26 -5.04 116.55 115.64 1ssf n ASP 44 Ca 0.01 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1ssf n ASP 44 Cb 0.02 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 0.97 1.22 3.42 6.12 0.00 0.13 -5.10 105.19 111.95 1ssf n GLY 45 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 3.23 0.27 1.61 5.04 -1.25 -4.80 117.35 119.45 1ssf s TYR 46 Ca 0.00 -0.77 -0.06 0.00 -2.44 0.00 0.00 57.07 53.80 1ssf s TYR 46 Cb 0.00 -2.96 -0.06 0.00 0.35 0.00 0.00 41.96 39.30 1ssf s TYR 46 CO 0.00 -0.72 0.55 -2.00 -1.34 0.00 0.00 175.55 172.04 1ssf s GLU 47 N 1.70 3.67 0.35 4.97 2.12 -1.26 -0.96 118.70 129.29 1ssf s GLU 47 Ca 0.05 0.07 -0.17 0.00 0.36 0.00 0.00 54.97 55.28 1ssf s GLU 47 Cb -0.22 -2.65 0.06 0.00 0.26 0.00 0.00 34.13 31.58 1ssf s GLU 47 CO 0.08 0.24 0.83 0.00 -0.54 0.00 0.00 175.26 175.87 1ssf s ASP 49 N -3.12 2.27 0.22 0.00 1.11 -1.26 -2.29 116.67 113.60 1ssf s ASP 49 Ca 0.16 -0.40 -0.09 0.00 0.18 0.00 0.00 52.55 52.40 1ssf s ASP 49 Cb -0.05 -1.04 -0.01 0.00 1.07 0.00 0.00 42.92 42.89 1ssf s ASP 49 CO 0.10 0.08 0.36 0.54 1.18 0.00 0.00 175.17 177.44 1ssf s VAL 50 N 0.55 0.01 0.58 -1.27 0.11 -0.32 -4.99 120.40 115.07 1ssf s VAL 50 Ca -0.16 -1.54 -0.15 0.00 -2.93 0.00 0.00 61.98 57.20 1ssf s VAL 50 Cb -0.17 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 1ssf s VAL 50 CO 0.06 -0.05 1.03 -0.76 -3.33 0.00 0.00 175.10 172.04 1ssf s LEU 51 N -3.04 3.47 0.00 2.54 2.01 -1.26 -0.77 118.68 121.62 1ssf s LEU 51 Ca 0.25 1.66 0.25 0.00 0.01 0.00 0.00 54.13 56.30 1ssf s LEU 51 Cb 0.02 -4.51 0.66 0.00 0.01 0.00 0.00 46.19 42.37 1ssf s LEU 51 CO 0.08 -0.96 1.52 0.61 1.01 0.00 0.00 176.35 178.62 1ssf n GLY 52 N -1.52 0.58 0.88 -3.19 0.00 0.25 -1.49 105.19 100.70 1ssf n GLY 52 Ca 0.07 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.63 1ssf n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssf n LYS 53 N 0.71 3.00 0.00 1.61 -0.00 -1.26 -4.35 118.16 117.87 1ssf n LYS 53 Ca 0.17 -2.67 0.00 0.00 -0.00 0.00 0.00 58.31 55.81 1ssf n LYS 53 Cb 0.45 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.76 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 -0.20 0.00 -4.13 -5.58 8.00 -1.04 -4.95 116.55 108.66 1ssf n ASP 54 Ca 0.19 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 1ssf n ASP 54 Cb 0.79 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.78 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 -0.31 3.28 0.11 0.53 1.09 -0.55 -0.91 121.20 124.43 1ssf s ILE 55 Ca 0.00 -1.99 0.03 0.00 -1.10 0.00 0.00 60.65 57.59 1ssf s ILE 55 Cb 0.00 -3.22 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1ssf s ILE 55 CO 0.00 -0.64 -0.08 -1.48 -0.10 0.00 0.00 174.94 172.64 1ssf s LEU 56 N 1.15 2.49 -0.63 2.97 -0.00 -0.87 -4.49 118.68 119.29 1ssf s LEU 56 Ca 0.07 -0.96 -0.28 0.00 -0.00 0.00 0.00 54.13 52.96 1ssf s LEU 56 Cb -0.22 -0.18 -0.12 0.00 -0.00 0.00 0.00 46.19 45.66 1ssf s LEU 56 CO -0.04 -0.39 2.48 0.00 -0.00 0.00 0.00 176.35 178.41 1ssf n LEU 57 N 0.08 1.68 -4.63 1.48 -0.00 -1.26 -2.68 117.00 111.67 1ssf n LEU 57 Ca -0.13 -0.20 -0.29 0.00 -0.00 0.00 0.00 56.01 55.40 1ssf n LEU 57 Cb 0.60 -1.35 -0.09 0.00 -0.00 0.00 0.00 43.42 42.58 1ssf n LEU 57 CO 0.30 -1.22 -0.25 0.00 -0.00 0.00 0.00 177.39 176.22 1ssf h ASP 59 N 1.65 0.60 0.52 0.00 3.32 -1.77 -3.41 116.42 117.33 1ssf h ASP 59 Ca -0.42 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.09 1ssf h ASP 59 Cb 1.28 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.66 1ssf h ASP 59 CO 0.71 1.00 -0.25 1.55 -1.72 0.00 0.00 179.24 180.53 1ssf h PRO 60 N 0.21 -0.67 -5.60 3.56 0.13 -1.91 -3.46 132.00 124.25 1ssf h PRO 60 Ca 0.02 0.05 -0.46 0.00 -0.87 0.00 0.00 66.00 64.73 1ssf h PRO 60 Cb 0.87 0.15 -0.14 0.00 0.13 0.00 0.00 31.00 32.01 1ssf h PRO 60 CO 0.07 -0.45 -0.73 0.42 -0.23 0.00 0.00 178.00 177.08 1ssf s ILE 61 N -4.47 1.78 -0.51 -3.56 -1.09 -1.26 -5.00 121.20 107.09 1ssf s ILE 61 Ca -0.10 -2.22 -0.32 0.00 -2.23 0.00 0.00 60.65 55.78 1ssf s ILE 61 Cb 0.01 -2.10 -0.12 0.00 -1.58 0.00 0.00 42.46 38.67 1ssf s ILE 61 CO 0.31 -0.55 2.35 -2.65 -1.23 0.00 0.00 174.94 173.16 1ssf n PRO 62 N -0.42 0.90 0.00 2.79 -0.02 -1.26 -4.79 135.00 132.20 1ssf n PRO 62 Ca -0.07 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ssf n PRO 62 Cb 0.61 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1ssf n PRO 62 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1ssf n LEU 63 N 11.74 0.00 0.00 2.45 -0.00 -1.26 -0.44 117.00 129.49 1ssf n LEU 63 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1ssf n LEU 63 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1ssf n LEU 63 CO 0.78 0.00 -0.02 0.47 -0.00 0.00 0.00 177.39 178.62 1ssf n ASP 64 N 0.00 0.21 -4.47 1.45 8.00 -0.41 -3.35 116.55 117.97 1ssf n ASP 64 Ca 0.00 -0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.07 1ssf n ASP 64 Cb 0.00 0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 1ssf n ASP 64 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ssf s THR 65 N -0.41 2.62 0.13 -3.53 2.01 0.41 -4.83 115.64 112.05 1ssf s THR 65 Ca 0.00 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.70 1ssf s THR 65 Cb 0.00 -2.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.11 1ssf s THR 65 CO 0.00 -0.17 1.81 -0.70 -0.69 0.00 0.00 174.62 174.88 1ssf s GLU 66 N -2.87 4.14 0.33 4.92 2.56 -1.26 -0.35 118.70 126.17 1ssf s GLU 66 Ca 0.24 2.60 -0.17 0.00 0.00 0.00 0.00 54.97 57.63 1ssf s GLU 66 Cb -0.08 -3.53 0.03 0.00 2.00 0.00 0.00 34.13 32.56 1ssf s GLU 66 CO 0.12 -0.83 0.73 0.14 -0.56 0.00 0.00 175.26 174.86 1ssf s VAL 67 N 2.54 0.00 0.24 3.70 -7.23 -0.63 -4.90 120.40 114.12 1ssf s VAL 67 Ca 0.80 -1.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.01 1ssf s VAL 67 Cb -0.46 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1ssf s VAL 67 CO 0.36 0.00 -0.05 0.28 -0.31 0.00 0.00 175.10 175.38 1ssf s THR 68 N -3.09 3.27 -0.10 5.32 -1.32 -0.92 -1.67 115.64 117.13 1ssf s THR 68 Ca 0.15 -1.89 -0.05 0.00 -1.21 0.00 0.00 61.69 58.69 1ssf s THR 68 Cb -0.05 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 1ssf s THR 68 CO 0.10 -0.30 0.08 0.00 -2.21 0.00 0.00 174.62 172.29 1ssf s ALA 69 N -2.16 3.61 -0.42 11.08 0.00 -1.11 -1.00 121.76 131.75 1ssf s ALA 69 Ca 0.29 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 1ssf s ALA 69 Cb -0.07 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1ssf s ALA 69 CO 0.18 0.60 0.42 -1.17 0.00 0.00 0.00 175.76 175.79 1ssf s LEU 70 N -0.96 4.95 0.19 0.00 1.98 -0.28 -4.16 118.68 120.40 1ssf s LEU 70 Ca 0.14 -0.76 -0.00 0.00 -2.89 0.00 0.00 54.13 50.62 1ssf s LEU 70 Cb -0.12 -2.34 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 1ssf s LEU 70 CO 0.03 -0.57 0.08 -0.55 -1.89 0.00 0.00 176.35 173.45 1ssf s SER 71 N 1.85 0.61 0.66 3.68 0.15 -1.26 -4.71 113.70 114.67 1ssf s SER 71 Ca 0.10 -1.30 -0.17 0.00 0.70 0.00 0.00 55.95 55.28 1ssf s SER 71 Cb -0.18 0.26 -0.14 0.00 -1.71 0.00 0.00 66.02 64.25 1ssf s SER 71 CO 0.13 -0.74 -0.36 -1.84 1.20 0.00 0.00 173.24 171.63 1ssf n GLU 72 N -0.26 0.00 -0.26 5.44 0.00 -1.26 -4.27 120.64 120.03 1ssf n GLU 72 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.15 1ssf n GLU 72 Cb 0.65 -0.96 0.08 0.00 0.00 0.00 0.00 31.44 31.21 1ssf n GLU 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ssf h ASP 73 N -0.36 -0.74 -0.23 -1.84 3.32 -1.99 0.37 116.42 114.95 1ssf h ASP 73 Ca -0.40 0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ssf h ASP 73 Cb 1.34 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.36 1ssf h ASP 73 CO 0.33 -0.25 0.00 -1.84 -1.72 0.00 0.00 179.24 175.76 1ssf n GLU 74 N -5.49 2.10 -0.03 3.56 0.28 -1.26 -4.67 120.64 115.13 1ssf n GLU 74 Ca 0.10 -1.73 -0.01 0.00 -0.16 0.00 0.00 57.16 55.35 1ssf n GLU 74 Cb 0.38 -1.24 -0.08 0.00 1.43 0.00 0.00 31.44 31.93 1ssf n GLU 74 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1ssf n TYR 75 N 0.51 0.00 -0.71 -1.84 4.02 -0.66 -5.06 117.16 113.42 1ssf n TYR 75 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.66 1ssf n TYR 75 Cb 0.37 -0.41 0.16 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.20 -1.15 -3.98 -0.72 -1.74 0.12 -4.89 117.46 102.90 1ssf n PHE 76 Ca -0.11 0.19 -0.09 0.00 -0.56 0.00 0.00 57.45 56.87 1ssf n PHE 76 Cb 0.63 -1.74 -0.11 0.00 1.52 0.00 0.00 39.48 39.79 1ssf n PHE 76 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1ssf s SER 77 N -2.08 0.24 0.63 5.98 0.01 -1.26 -5.06 113.70 112.17 1ssf s SER 77 Ca 0.59 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.23 1ssf s SER 77 Cb -0.19 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1ssf s SER 77 CO 0.66 -0.33 1.04 0.00 0.41 0.00 0.00 173.24 175.01 1ssf s ALA 78 N -1.66 3.07 0.00 1.44 0.00 -1.26 -2.74 121.76 120.61 1ssf s ALA 78 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ssf s ALA 78 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ssf s ALA 78 CO -0.02 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1ssf n GLY 79 N -2.79 2.28 3.12 0.00 0.00 -0.67 -4.42 105.19 102.71 1ssf n GLY 79 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.99 1.14 -0.02 1.61 1.01 -0.25 -1.60 120.40 119.29 1ssf s VAL 80 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1ssf s VAL 80 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1ssf s VAL 80 CO 0.00 0.31 0.91 0.68 0.00 0.00 0.00 175.10 177.00 1ssf s VAL 81 N -0.35 4.91 0.00 2.92 -7.23 0.53 0.43 120.40 121.61 1ssf s VAL 81 Ca 0.05 1.90 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 1ssf s VAL 81 Cb -0.06 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.64 1ssf s VAL 81 CO -0.00 0.18 0.39 2.29 -0.31 0.00 0.00 175.10 177.64 1ssf n LYS 82 N 3.92 -0.37 0.00 4.82 2.85 -0.64 -1.28 118.16 127.45 1ssf n LYS 82 Ca 0.04 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 1ssf n LYS 82 Cb 0.51 -0.83 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 1ssf n LYS 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssf n GLY 83 N -0.04 2.81 3.49 2.58 0.00 -1.21 -4.77 105.19 108.05 1ssf n GLY 83 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1ssf n GLY 83 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ssf s HIS 84 N -2.00 0.18 0.17 1.61 -3.43 -1.26 -1.50 115.29 109.07 1ssf s HIS 84 Ca 0.00 -0.54 -0.22 0.00 -0.80 0.00 0.00 55.06 53.50 1ssf s HIS 84 Cb 0.00 0.20 0.06 0.00 -1.43 0.00 0.00 32.58 31.41 1ssf s HIS 84 CO 0.00 -0.89 0.59 -0.98 -2.00 0.00 0.00 174.74 171.47 1ssf s ARG 85 N -3.95 1.33 0.02 -0.38 1.04 -0.55 -5.02 118.95 111.44 1ssf s ARG 85 Ca 0.16 -0.58 0.01 0.00 -1.04 0.00 0.00 55.73 54.28 1ssf s ARG 85 Cb 0.00 0.58 -0.01 0.00 -2.04 0.00 0.00 34.95 33.48 1ssf s ARG 85 CO 0.02 -0.58 -0.04 -1.59 -0.04 0.00 0.00 175.30 173.06 1ssf s LYS 86 N -3.78 0.34 0.20 3.89 -2.85 -1.26 -1.62 119.74 114.66 1ssf s LYS 86 Ca 0.03 -0.43 0.06 0.00 -1.00 0.00 0.00 55.97 54.63 1ssf s LYS 86 Cb -0.01 -0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.56 1ssf s LYS 86 CO -0.10 0.03 -0.10 -2.00 0.10 0.00 0.00 175.35 173.28 1ssf s GLU 87 N -0.88 1.29 -0.80 1.78 2.12 0.40 -5.00 118.70 117.60 1ssf s GLU 87 Ca -0.07 -1.59 -0.28 0.00 0.36 0.00 0.00 54.97 53.39 1ssf s GLU 87 Cb -0.06 -0.94 -0.27 0.00 0.26 0.00 0.00 34.13 33.12 1ssf s GLU 87 CO -0.00 0.10 1.97 -1.13 -0.54 0.00 0.00 175.26 175.66 1ssf n SER 88 N -0.37 1.20 0.00 -1.70 3.41 -1.26 -1.01 113.62 113.89 1ssf n SER 88 Ca -0.08 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1ssf n SER 88 Cb 0.61 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 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 5.83 1.04 3.05 5.00 0.00 -1.26 -5.12 105.19 113.73 1ssf n GLY 89 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.30 0.81 -0.07 1.61 0.41 -0.18 -5.14 118.70 115.82 1ssf s GLU 90 Ca 0.00 -0.40 -0.00 0.00 -0.41 0.00 0.00 54.97 54.16 1ssf s GLU 90 Cb 0.00 -0.78 0.02 0.00 -1.78 0.00 0.00 34.13 31.60 1ssf s GLU 90 CO 0.00 0.21 -0.03 -1.17 -0.49 0.00 0.00 175.26 173.78 1ssf s LEU 91 N -0.35 0.97 -0.08 1.80 0.20 -1.26 -0.45 118.68 119.51 1ssf s LEU 91 Ca 0.03 -0.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.65 1ssf s LEU 91 Cb -0.04 -0.56 0.04 0.00 -0.43 0.00 0.00 46.19 45.19 1ssf s LEU 91 CO -0.00 -0.13 0.19 -0.72 -0.29 0.00 0.00 176.35 175.40 1ssf s TYR 92 N 1.58 -0.24 -0.05 5.38 1.13 -0.64 -3.13 117.35 121.38 1ssf s TYR 92 Ca -0.00 0.60 -0.02 0.00 -1.41 0.00 0.00 57.07 56.24 1ssf s TYR 92 Cb -0.13 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1ssf s TYR 92 CO -0.04 -0.17 0.06 -0.47 -2.51 0.00 0.00 175.55 172.42 1ssf s TYR 93 N 0.90 3.30 -0.24 -3.49 5.04 0.13 -1.48 117.35 121.50 1ssf s TYR 93 Ca -0.07 0.26 -0.08 0.00 -2.44 0.00 0.00 57.07 54.74 1ssf s TYR 93 Cb -0.08 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1ssf s TYR 93 CO -0.05 0.56 0.10 0.45 -1.34 0.00 0.00 175.55 175.27 1ssf s SER 94 N -1.31 5.49 -0.24 4.32 0.15 -0.56 -1.83 113.70 119.72 1ssf s SER 94 Ca 0.18 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.76 1ssf s SER 94 Cb -0.12 -1.99 0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1ssf s SER 94 CO 0.08 0.01 -0.11 -0.63 1.20 0.00 0.00 173.24 173.79 1ssf s ILE 95 N 1.36 2.34 -0.40 6.45 1.09 -0.16 -1.63 121.20 130.26 1ssf s ILE 95 Ca 0.06 -1.34 -0.23 0.00 -1.10 0.00 0.00 60.65 58.04 1ssf s ILE 95 Cb -0.15 -2.25 0.02 0.00 -1.06 0.00 0.00 42.46 39.02 1ssf s ILE 95 CO 0.05 0.14 0.78 -0.70 -0.10 0.00 0.00 174.94 175.11 1ssf s GLU 96 N 1.20 3.61 -0.08 2.79 2.12 0.17 -0.72 118.70 127.79 1ssf s GLU 96 Ca -0.04 0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.40 1ssf s GLU 96 Cb -0.18 -3.86 0.04 0.00 0.26 0.00 0.00 34.13 30.39 1ssf s GLU 96 CO -0.06 -0.96 0.17 0.21 -0.54 0.00 0.00 175.26 174.08 1ssf s LYS 97 N 3.18 0.12 0.00 4.30 2.20 0.19 -1.09 119.74 128.64 1ssf s LYS 97 Ca 0.31 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1ssf s LYS 97 Cb -0.13 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.02 1ssf s LYS 97 CO 0.19 -0.18 0.00 0.39 -0.36 0.00 0.00 175.35 175.40 1ssf n GLU 98 N 4.31 -0.54 0.00 4.03 4.71 -1.26 -2.01 120.64 129.87 1ssf n GLU 98 Ca -0.25 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1ssf n GLU 98 Cb 0.52 -4.16 0.00 0.00 -1.01 0.00 0.00 31.44 26.79 1ssf n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ssf n GLY 99 N -1.28 1.57 3.45 0.62 0.00 -1.26 -5.11 105.19 103.18 1ssf n GLY 99 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.67 -0.00 1.61 1.03 -0.85 -5.16 119.66 117.96 1ssf s GLN 100 Ca 0.00 -1.94 -0.14 0.00 0.04 0.00 0.00 55.36 53.32 1ssf s GLN 100 Cb 0.00 -0.77 -0.06 0.00 0.03 0.00 0.00 33.01 32.21 1ssf s GLN 100 CO 0.00 -0.24 0.39 -0.98 -2.54 0.00 0.00 175.29 171.91 1ssf s ARG 101 N -3.88 3.86 -0.06 9.60 1.04 -1.26 0.57 118.95 128.82 1ssf s ARG 101 Ca 0.34 0.35 0.03 0.00 -1.04 0.00 0.00 55.73 55.41 1ssf s ARG 101 Cb 0.08 -3.19 0.01 0.00 -2.04 0.00 0.00 34.95 29.80 1ssf s ARG 101 CO 0.15 0.69 -0.14 0.15 -0.04 0.00 0.00 175.30 176.11 1ssf s LYS 102 N -1.16 1.76 -0.24 3.89 1.02 0.10 -4.92 119.74 120.18 1ssf s LYS 102 Ca 0.24 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1ssf s LYS 102 Cb -0.16 -1.46 0.06 0.00 -0.52 0.00 0.00 37.83 35.75 1ssf s LYS 102 CO 0.13 0.09 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.00 1ssf s TRP 103 N 0.48 2.60 0.10 3.18 0.52 -1.26 -0.98 118.94 123.58 1ssf s TRP 103 Ca -0.12 -1.90 0.06 0.00 0.02 0.00 0.00 56.10 54.16 1ssf s TRP 103 Cb -0.15 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1ssf s TRP 103 CO 0.04 -0.80 -0.15 0.71 0.02 0.00 0.00 176.95 176.77 1ssf s TYR 104 N 1.32 1.36 0.97 -1.98 2.02 -0.76 -4.94 117.35 115.34 1ssf s TYR 104 Ca -0.07 -0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 1ssf s TYR 104 Cb -0.19 -0.73 0.17 0.00 -0.40 0.00 0.00 41.96 40.81 1ssf s TYR 104 CO -0.06 0.11 1.13 0.15 -1.57 0.00 0.00 175.55 175.31 1ssf s LYS 105 N -2.25 0.61 0.28 -0.62 1.02 -1.18 -0.70 119.74 116.90 1ssf s LYS 105 Ca 0.04 1.43 0.22 0.00 0.02 0.00 0.00 55.97 57.69 1ssf s LYS 105 Cb -0.07 -1.69 0.94 0.00 -0.52 0.00 0.00 37.83 36.49 1ssf s LYS 105 CO 0.03 -2.87 0.96 -2.13 -0.92 0.00 0.00 175.35 170.41 1ssf n ARG 106 N -4.39 -0.02 0.01 1.68 3.00 -1.26 -2.03 116.66 113.65 1ssf n ARG 106 Ca 0.10 0.75 0.16 0.00 -0.00 0.00 0.00 57.85 58.87 1ssf n ARG 106 Cb 0.52 -1.52 0.63 0.00 0.00 0.00 0.00 32.46 32.09 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ssf h MET 107 N 0.00 0.12 -0.25 -0.14 -0.00 -1.90 -2.92 114.93 109.84 1ssf h MET 107 Ca 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.24 1ssf h MET 107 Cb 1.84 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 33.41 1ssf h MET 107 CO -0.24 0.08 0.00 0.00 -0.00 0.00 0.00 176.91 176.75 1ssf n ALA 108 N -2.59 2.34 -3.89 -3.00 0.00 -0.86 -4.68 120.51 107.82 1ssf n ALA 108 Ca 0.08 -1.47 -0.30 0.00 0.00 0.00 0.00 53.44 51.74 1ssf n ALA 108 Cb 0.46 -0.43 -0.15 0.00 0.00 0.00 0.00 19.45 19.33 1ssf n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ssf s VAL 109 N -1.53 1.48 0.02 0.00 0.11 -1.10 -1.12 120.40 118.26 1ssf s VAL 109 Ca 0.24 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1ssf s VAL 109 Cb 0.16 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1ssf s VAL 109 CO 0.11 -0.37 0.01 2.30 -3.33 0.00 0.00 175.10 173.81 1ssf n ILE 110 N 4.64 0.00 -3.80 7.04 -6.64 -0.17 -4.84 119.36 115.59 1ssf n ILE 110 Ca -0.06 -0.11 -0.10 0.00 -1.77 0.00 0.00 62.75 60.71 1ssf n ILE 110 Cb 0.43 0.04 -0.07 0.00 -1.44 0.00 0.00 39.64 38.60 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 1.11 0.36 7.28 0.05 -1.12 -2.15 118.68 124.21 1ssf s LEU 111 Ca 0.01 -0.37 0.07 0.00 0.05 0.00 0.00 54.13 53.89 1ssf s LEU 111 Cb 0.00 1.21 -0.01 0.00 -2.05 0.00 0.00 46.19 45.33 1ssf s LEU 111 CO 0.01 -0.65 0.42 -0.94 -0.55 0.00 0.00 176.35 174.63 1ssf s SER 112 N -2.35 5.60 0.47 1.48 1.04 -1.26 -0.31 113.70 118.37 1ssf s SER 112 Ca -0.02 -0.39 0.18 0.00 0.48 0.00 0.00 55.95 56.21 1ssf s SER 112 Cb 0.01 -0.98 1.15 0.00 0.10 0.00 0.00 66.02 66.30 1ssf s SER 112 CO -0.06 -0.48 2.02 -0.07 0.98 0.00 0.00 173.24 175.63 1ssf h LEU 113 N 0.98 0.00 0.00 2.42 3.38 -1.34 -0.88 115.31 119.88 1ssf h LEU 113 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ssf h LEU 113 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ssf h LEU 113 CO 0.54 0.16 -0.29 -0.62 0.09 0.00 0.00 178.44 178.31 1ssf n GLU 114 N -4.13 0.04 0.07 1.13 1.02 -1.26 0.13 120.64 117.63 1ssf n GLU 114 Ca -0.02 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1ssf n GLU 114 Cb 0.23 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1ssf n GLU 114 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ssf h GLN 115 N 0.00 0.00 0.06 3.49 4.20 -1.87 -3.27 115.11 117.72 1ssf h GLN 115 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1ssf h GLN 115 Cb 0.53 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1ssf h GLN 115 CO 0.00 0.20 -1.78 0.41 -0.67 0.00 0.00 178.83 176.99 1ssf n GLY 116 N 1.31 -0.65 0.18 3.46 0.00 -0.35 -4.40 105.19 104.74 1ssf n GLY 116 Ca -0.06 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1ssf n GLY 116 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ssf h ASN 117 N -0.42 0.00 1.43 1.61 4.21 0.81 -0.70 115.58 122.52 1ssf h ASN 117 Ca -0.42 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.05 1ssf h ASN 117 Cb 1.72 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.91 1ssf h ASN 117 CO -0.07 0.00 -0.18 0.08 -1.29 0.00 0.00 177.43 175.97 1ssf h ARG 118 N 0.00 0.00 0.05 0.81 -0.00 -1.74 -3.24 114.38 110.26 1ssf h ARG 118 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.67 1ssf h ARG 118 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.63 1ssf h ARG 118 CO 0.00 0.18 -1.70 -0.11 -0.00 0.00 0.00 179.97 178.34 1ssf n LEU 119 N -3.20 2.23 -0.20 0.08 0.00 -0.99 -4.66 117.00 110.25 1ssf n LEU 119 Ca 0.02 0.31 0.14 0.00 0.00 0.00 0.00 56.01 56.48 1ssf n LEU 119 Cb 0.51 -1.02 0.26 0.00 0.00 0.00 0.00 43.42 43.18 1ssf n LEU 119 CO 0.34 0.56 0.55 -1.14 0.00 0.00 0.00 177.39 177.70 1ssf n ARG 120 N -3.99 -0.04 0.09 1.96 0.00 -0.30 0.68 116.66 115.06 1ssf n ARG 120 Ca -0.34 0.86 0.12 0.00 -0.00 0.00 0.00 57.85 58.49 1ssf n ARG 120 Cb 0.86 -1.46 0.06 0.00 0.00 0.00 0.00 32.46 31.92 1ssf n ARG 120 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1ssf h GLU 121 N 0.00 0.00 0.00 -0.14 4.11 -1.84 -2.20 114.58 114.51 1ssf h GLU 121 Ca 0.43 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.55 1ssf h GLU 121 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1ssf h GLU 121 CO -0.51 0.00 -2.12 0.00 0.07 0.00 0.00 179.01 176.45 1ssf n GLN 122 N -2.47 0.45 -0.22 1.06 10.64 0.77 -4.91 117.38 122.69 1ssf n GLN 122 Ca 0.01 0.15 0.03 0.00 -1.83 0.00 0.00 57.00 55.37 1ssf n GLN 122 Cb 0.51 -1.30 0.04 0.00 -0.86 0.00 0.00 30.24 28.64 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 -3.53 0.00 0.00 2.61 4.01 0.22 -5.05 117.16 115.41 1ssf n TYR 123 Ca -0.37 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 1ssf n TYR 123 Cb 0.82 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 -0.52 1.30 0.16 2.72 0.00 -1.25 -4.13 105.19 103.47 1ssf n GLY 124 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ssf n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ssf n LEU 125 N 0.00 0.14 -3.23 0.99 4.77 -1.20 -4.09 117.00 114.38 1ssf n LEU 125 Ca 0.00 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1ssf n LEU 125 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ssf n LEU 125 CO 0.00 0.03 0.06 -0.83 -1.33 0.00 0.00 177.39 175.32 1ssf s GLY 126 N -1.25 -1.11 0.14 -0.72 0.00 -0.83 -4.63 107.32 98.92 1ssf s GLY 126 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 44.72 45.00 1ssf s GLY 126 CO 0.00 3.55 1.09 -0.56 0.00 0.00 0.00 173.10 177.18 1ssf h PRO 127 N 7.08 0.00 -5.44 2.90 0.13 -1.76 -3.46 132.00 131.44 1ssf h PRO 127 Ca 0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.51 1ssf h PRO 127 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1ssf h PRO 127 CO 0.12 0.44 -0.80 -0.47 -0.23 0.00 0.00 178.00 177.06 1ssf s TYR 128 N -2.90 2.73 0.00 1.56 5.04 -1.26 -4.84 117.35 117.67 1ssf s TYR 128 Ca -0.00 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 1ssf s TYR 128 Cb 0.08 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1ssf s TYR 128 CO 0.79 -0.22 0.00 -0.85 -1.34 0.00 0.00 175.55 173.92