#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nin n THR 2 N 0.00 0.00 -2.66 6.31 -1.04 0.85 -4.49 114.28 113.26 1nin n THR 2 Ca 0.00 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 1nin n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1nin s TYR 3 N 0.29 3.48 -0.28 -1.42 2.02 -0.71 -4.65 117.35 116.08 1nin s TYR 3 Ca 0.00 1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 57.99 1nin s TYR 3 Cb 0.00 -3.21 -0.28 0.00 -0.40 0.00 0.00 41.96 38.06 1nin s TYR 3 CO 0.00 -0.35 1.70 0.25 -1.57 0.00 0.00 175.55 175.58 1nin n THR 4 N 4.54 0.68 -2.53 -0.71 -2.24 -1.26 -0.36 114.28 112.39 1nin n THR 4 Ca 0.09 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 1nin n THR 4 Cb 0.48 -2.10 -0.04 0.00 -2.10 0.00 0.00 70.33 66.58 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nin s VAL 5 N 6.17 4.12 0.14 2.28 1.01 0.30 -4.70 120.40 129.72 1nin s VAL 5 Ca 0.62 1.22 0.11 0.00 0.00 0.00 0.00 61.98 63.93 1nin s VAL 5 Cb 0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1nin s VAL 5 CO 0.25 -0.39 -0.26 -0.54 0.00 0.00 0.00 175.10 174.17 1nin s LYS 6 N -3.49 1.45 -0.82 2.72 3.01 0.48 -1.55 119.74 121.53 1nin s LYS 6 Ca 0.64 -1.38 0.02 0.00 -1.01 0.00 0.00 55.97 54.23 1nin s LYS 6 Cb -0.13 -1.90 0.30 0.00 -1.01 0.00 0.00 37.83 35.09 1nin s LYS 6 CO 0.22 0.44 1.21 1.28 0.51 0.00 0.00 175.35 179.01 1nin n LEU 7 N 0.74 5.39 0.00 3.17 4.77 0.19 -3.74 117.00 127.51 1nin n LEU 7 Ca -0.17 -5.43 0.00 0.00 -0.03 0.00 0.00 56.01 50.39 1nin n LEU 7 Cb 0.54 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1nin n LEU 7 CO 0.25 2.03 0.00 0.61 -1.33 0.00 0.00 177.39 178.95 1nin n GLY 8 N 0.54 0.40 0.90 -0.72 0.00 0.12 -4.47 105.19 101.96 1nin n GLY 8 Ca 0.33 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.51 1nin n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nin n SER 9 N -0.74 0.19 0.00 1.61 3.41 0.57 -4.18 113.62 114.48 1nin n SER 9 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1nin n SER 9 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1nin n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nin n ASP 10 N -2.68 0.77 -3.68 4.04 2.03 -1.26 -3.19 116.55 112.59 1nin n ASP 10 Ca -0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.12 1nin n ASP 10 Cb 0.01 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.36 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1nin n LYS 11 N 0.00 0.00 0.00 -0.67 4.01 -1.26 -2.43 118.16 117.81 1nin n LYS 11 Ca 0.00 -0.45 0.00 0.00 -0.51 0.00 0.00 58.31 57.35 1nin n LYS 11 Cb 0.00 -1.69 0.00 0.00 -0.51 0.00 0.00 35.03 32.83 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nin n GLY 12 N 4.07 2.45 3.08 0.72 0.00 -1.26 -5.00 105.19 109.24 1nin n GLY 12 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1nin n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nin n LEU 13 N 0.00 4.93 -3.70 0.99 4.32 -1.02 -4.83 117.00 117.69 1nin n LEU 13 Ca 0.00 -3.41 -0.41 0.00 -0.02 0.00 0.00 56.01 52.17 1nin n LEU 13 Cb 0.00 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.39 1nin n LEU 13 CO 0.00 -0.02 2.05 0.18 -1.22 0.00 0.00 177.39 178.38 1nin n LEU 14 N 7.89 7.26 -4.95 2.23 4.77 -1.26 -0.32 117.00 132.62 1nin n LEU 14 Ca 0.50 -4.83 -0.23 0.00 -0.03 0.00 0.00 56.01 51.42 1nin n LEU 14 Cb 0.41 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.12 1nin n LEU 14 CO 0.93 1.73 0.28 0.68 -1.33 0.00 0.00 177.39 179.68 1nin s VAL 15 N -0.77 3.96 -0.40 4.08 -7.23 -1.26 -3.77 120.40 115.01 1nin s VAL 15 Ca 0.45 -0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.15 1nin s VAL 15 Cb 0.13 -3.46 0.48 0.00 0.56 0.00 0.00 36.38 34.09 1nin s VAL 15 CO -0.03 -0.32 1.52 0.49 -0.31 0.00 0.00 175.10 176.44 1nin n PHE 16 N -2.07 2.39 -1.44 2.82 3.01 -1.26 0.13 117.46 121.04 1nin n PHE 16 Ca 0.02 -2.25 -0.33 0.00 1.01 0.00 0.00 57.45 55.89 1nin n PHE 16 Cb 0.58 -0.70 0.09 0.00 -0.01 0.00 0.00 39.48 39.43 1nin n PHE 16 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1nin s GLU 17 N -3.55 2.24 0.00 -1.08 0.41 -1.25 0.10 118.70 115.57 1nin s GLU 17 Ca 0.53 1.56 0.00 0.00 -0.41 0.00 0.00 54.97 56.65 1nin s GLU 17 Cb 0.44 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.92 1nin s GLU 17 CO 0.01 -1.72 0.49 -0.35 -0.49 0.00 0.00 175.26 173.21 1nin n PRO 18 N -2.87 0.00 0.00 0.39 -0.04 -1.26 -0.39 135.00 130.83 1nin n PRO 18 Ca 0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1nin n PRO 18 Cb 0.51 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1nin n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 19 N -0.99 0.00 -3.46 0.55 0.00 0.29 -4.73 120.51 112.17 1nin n ALA 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1nin n ALA 19 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1nin n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1nin s LYS 20 N 0.00 2.51 -0.43 0.00 0.00 -1.26 -0.29 119.74 120.27 1nin s LYS 20 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 55.97 54.26 1nin s LYS 20 Cb 0.00 -3.86 0.11 0.00 0.00 0.00 0.00 37.83 34.08 1nin s LYS 20 CO 0.00 -1.10 0.26 -1.17 0.00 0.00 0.00 175.35 173.34 1nin s LEU 21 N 1.38 5.39 -1.36 2.77 0.20 -0.22 -4.99 118.68 121.84 1nin s LEU 21 Ca 0.05 -1.91 -0.16 0.00 0.69 0.00 0.00 54.13 52.80 1nin s LEU 21 Cb -0.25 -1.92 0.06 0.00 -0.43 0.00 0.00 46.19 43.66 1nin s LEU 21 CO 0.00 -0.60 1.94 0.41 -0.29 0.00 0.00 176.35 177.82 1nin n THR 22 N 4.75 3.76 -1.58 3.68 -1.04 -1.26 0.23 114.28 122.82 1nin n THR 22 Ca -0.06 -3.67 -0.30 0.00 -2.04 0.00 0.00 64.05 57.98 1nin n THR 22 Cb 0.41 -2.46 0.21 0.00 -1.82 0.00 0.00 70.33 66.67 1nin n THR 22 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1nin s ILE 23 N 3.62 1.82 0.28 12.58 -4.36 -0.13 -4.69 121.20 130.33 1nin s ILE 23 Ca 0.50 0.00 0.08 0.00 -0.26 0.00 0.00 60.65 60.97 1nin s ILE 23 Cb 0.08 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 1nin s ILE 23 CO 0.00 0.00 0.17 -1.59 0.24 0.00 0.00 174.94 173.76 1nin s LYS 24 N -5.72 2.69 0.00 0.37 0.00 -1.26 -0.32 119.74 115.50 1nin s LYS 24 Ca 0.73 -1.23 0.00 0.00 0.00 0.00 0.00 55.97 55.47 1nin s LYS 24 Cb -0.06 -2.42 0.00 0.00 0.00 0.00 0.00 37.83 35.36 1nin s LYS 24 CO 0.54 0.30 0.37 -0.35 0.00 0.00 0.00 175.35 176.22 1nin n PRO 25 N -1.15 0.00 0.00 1.78 -0.04 -1.26 -2.53 135.00 131.80 1nin n PRO 25 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1nin n PRO 25 Cb 0.59 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 1nin n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 26 N 2.30 0.81 3.43 0.55 0.00 0.32 -3.50 105.19 109.08 1nin n GLY 26 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1nin n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nin s ASP 27 N -1.62 3.37 0.07 1.61 2.15 -1.05 -4.72 116.67 116.48 1nin s ASP 27 Ca 0.00 -0.92 -0.01 0.00 0.43 0.00 0.00 52.55 52.05 1nin s ASP 27 Cb 0.00 -0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.32 1nin s ASP 27 CO 0.00 0.07 0.23 -0.89 -0.17 0.00 0.00 175.17 174.41 1nin s THR 28 N -2.00 5.36 0.04 1.71 2.01 -1.26 -2.70 115.64 118.80 1nin s THR 28 Ca 0.23 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1nin s THR 28 Cb -0.07 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1nin s THR 28 CO 0.11 0.14 -0.21 0.54 -0.69 0.00 0.00 174.62 174.50 1nin s VAL 29 N -1.52 1.73 -0.18 3.82 0.11 0.44 -0.10 120.40 124.70 1nin s VAL 29 Ca 0.35 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1nin s VAL 29 Cb -0.13 -1.50 -0.01 0.00 -1.53 0.00 0.00 36.38 33.21 1nin s VAL 29 CO 0.27 0.24 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.50 1nin s GLU 30 N -1.16 3.41 -0.79 1.54 -6.30 0.51 -0.79 118.70 115.11 1nin s GLU 30 Ca 0.08 -0.64 -0.00 0.00 -2.50 0.00 0.00 54.97 51.91 1nin s GLU 30 Cb -0.09 -2.85 0.20 0.00 0.00 0.00 0.00 34.13 31.38 1nin s GLU 30 CO 0.02 0.01 0.64 -0.06 0.02 0.00 0.00 175.26 175.89 1nin s PHE 31 N 0.92 3.72 -0.07 5.30 0.08 -0.63 0.11 117.98 127.41 1nin s PHE 31 Ca -0.01 -3.05 -0.16 0.00 0.12 0.00 0.00 56.93 53.83 1nin s PHE 31 Cb -0.15 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 1nin s PHE 31 CO 0.00 -0.71 0.41 -1.17 -0.10 0.00 0.00 175.22 173.65 1nin s LEU 32 N -1.12 4.37 -0.07 -0.37 0.20 -0.60 -3.43 118.68 117.66 1nin s LEU 32 Ca 0.25 0.83 -0.00 0.00 0.69 0.00 0.00 54.13 55.90 1nin s LEU 32 Cb -0.09 -2.57 0.06 0.00 -0.43 0.00 0.00 46.19 43.15 1nin s LEU 32 CO -0.11 0.19 1.71 -0.46 -0.29 0.00 0.00 176.35 177.39 1nin n ASN 33 N 2.70 4.80 0.00 3.68 6.94 -1.26 -0.64 115.26 131.48 1nin n ASN 33 Ca -0.12 -2.45 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 1nin n ASN 33 Cb 0.52 -0.93 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1nin n ASN 34 N 0.91 0.00 -0.83 0.53 5.15 -1.26 -1.32 115.26 118.44 1nin n ASN 34 Ca 0.07 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.07 1nin n ASN 34 Cb 0.56 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.82 1nin n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1nin n LYS 35 N 0.00 0.07 -3.84 1.20 0.00 -1.19 -4.17 118.16 110.22 1nin n LYS 35 Ca 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 58.31 56.75 1nin n LYS 35 Cb 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 35.03 34.53 1nin n LYS 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1nin s VAL 36 N -0.15 0.01 0.62 3.15 1.01 -0.43 -4.85 120.40 119.76 1nin s VAL 36 Ca 0.13 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1nin s VAL 36 Cb 0.15 -0.22 0.10 0.00 0.00 0.00 0.00 36.38 36.41 1nin s VAL 36 CO -0.06 -0.06 0.86 -2.16 0.00 0.00 0.00 175.10 173.67 1nin s PRO 37 N -0.16 2.10 -0.16 2.72 0.04 -1.25 -4.76 135.00 133.52 1nin s PRO 37 Ca -0.02 -1.48 -0.07 0.00 0.04 0.00 0.00 61.00 59.47 1nin s PRO 37 Cb -0.02 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1nin s PRO 37 CO 0.00 -1.05 0.10 -1.25 0.04 0.00 0.00 177.00 174.84 1nin s PRO 38 N -4.82 3.79 -0.36 0.56 0.04 -1.26 -5.09 135.00 127.85 1nin s PRO 38 Ca 0.63 -0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 1nin s PRO 38 Cb -0.06 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1nin s PRO 38 CO 0.41 0.47 0.20 -1.01 0.04 0.00 0.00 177.00 177.10 1nin s HIS 39 N -0.15 3.23 -0.36 0.56 3.76 -0.08 -4.59 115.29 117.67 1nin s HIS 39 Ca 0.09 -0.89 -0.07 0.00 -0.15 0.00 0.00 55.06 54.04 1nin s HIS 39 Cb -0.12 -2.42 0.05 0.00 1.11 0.00 0.00 32.58 31.20 1nin s HIS 39 CO 0.01 -0.61 0.14 1.21 -0.85 0.00 0.00 174.74 174.63 1nin s ASN 40 N 1.56 5.39 -0.24 1.40 2.47 -1.26 -0.98 114.94 123.28 1nin s ASN 40 Ca 0.02 -1.22 -0.09 0.00 0.42 0.00 0.00 52.86 51.99 1nin s ASN 40 Cb -0.19 -1.90 -0.04 0.00 -1.45 0.00 0.00 41.25 37.67 1nin s ASN 40 CO 0.07 -0.37 0.13 0.68 -3.72 0.00 0.00 177.10 173.89 1nin s VAL 41 N 1.41 5.04 0.19 -5.21 -7.23 -1.26 -0.84 120.40 112.49 1nin s VAL 41 Ca -0.00 0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1nin s VAL 41 Cb -0.20 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1nin s VAL 41 CO 0.03 0.34 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.44 1nin s VAL 42 N 1.20 3.50 0.34 1.32 1.01 -0.08 -1.48 120.40 126.22 1nin s VAL 42 Ca 0.06 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1nin s VAL 42 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1nin s VAL 42 CO 0.05 -0.14 0.54 -0.36 0.00 0.00 0.00 175.10 175.19 1nin s PHE 43 N -1.80 3.48 0.44 5.22 0.40 0.19 -0.62 117.98 125.29 1nin s PHE 43 Ca 0.27 0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1nin s PHE 43 Cb -0.09 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.56 1nin s PHE 43 CO 0.18 0.12 0.60 0.16 0.70 0.00 0.00 175.22 176.98 1nin s ASP 44 N -4.04 5.62 -0.07 1.36 -4.77 0.50 -4.38 116.67 110.88 1nin s ASP 44 Ca 0.40 -0.28 0.11 0.00 -3.30 0.00 0.00 52.55 49.48 1nin s ASP 44 Cb -0.10 -0.81 0.28 0.00 -1.09 0.00 0.00 42.92 41.21 1nin s ASP 44 CO 0.36 -0.80 1.21 0.00 0.70 0.00 0.00 175.17 176.63 1nin n ALA 45 N -1.94 2.35 -0.05 2.11 0.00 -1.26 -3.93 120.51 117.79 1nin n ALA 45 Ca 0.07 -1.74 -0.11 0.00 0.00 0.00 0.00 53.44 51.66 1nin n ALA 45 Cb 0.59 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin n ALA 46 N -0.45 2.27 -0.60 0.00 0.00 -1.26 -4.60 120.51 115.87 1nin n ALA 46 Ca 0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1nin n ALA 46 Cb 0.55 0.34 0.07 0.00 0.00 0.00 0.00 19.45 20.40 1nin n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nin n LEU 47 N -3.54 5.88 -4.23 0.00 7.99 -1.26 -4.78 117.00 117.06 1nin n LEU 47 Ca -0.20 -3.05 -0.42 0.00 -0.01 0.00 0.00 56.01 52.33 1nin n LEU 47 Cb 0.60 -0.88 -0.07 0.00 -0.11 0.00 0.00 43.42 42.96 1nin n LEU 47 CO 0.02 1.05 0.11 0.21 -1.51 0.00 0.00 177.39 177.27 1nin s ASN 48 N -0.11 5.92 0.28 -1.43 3.84 -1.26 -1.62 114.94 120.56 1nin s ASN 48 Ca 0.32 -2.25 0.03 0.00 0.21 0.00 0.00 52.86 51.17 1nin s ASN 48 Cb 0.26 -2.05 0.71 0.00 -0.55 0.00 0.00 41.25 39.62 1nin s ASN 48 CO 0.02 -0.63 1.41 -0.81 -2.79 0.00 0.00 177.10 174.30 1nin n PRO 49 N 4.48 -0.07 -1.75 0.43 -0.04 -1.26 0.11 135.00 136.91 1nin n PRO 49 Ca -0.01 1.34 -0.31 0.00 -0.04 0.00 0.00 63.50 64.48 1nin n PRO 49 Cb 0.41 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.78 1nin n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 50 N -3.17 5.81 0.00 0.55 0.00 -1.26 -4.97 120.51 117.47 1nin n ALA 50 Ca 0.22 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1nin n ALA 50 Cb 0.71 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1nin n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nin n LYS 51 N -0.76 0.00 -3.29 0.00 4.81 0.31 -4.85 118.16 114.39 1nin n LYS 51 Ca 0.53 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.77 1nin n LYS 51 Cb 0.71 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.76 1nin n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nin s SER 52 N 0.00 5.89 0.00 3.14 0.15 -1.26 -5.02 113.70 116.60 1nin s SER 52 Ca 0.00 -0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.80 1nin s SER 52 Cb 0.00 -1.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1nin s SER 52 CO 0.00 -0.55 1.09 0.00 1.20 0.00 0.00 173.24 174.98 1nin n ALA 53 N -1.79 3.94 -0.57 5.45 0.00 -1.26 -4.08 120.51 122.20 1nin n ALA 53 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1nin n ALA 53 Cb 0.58 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1nin n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 54 N -0.70 0.00 -0.01 0.00 5.68 -1.26 -4.37 116.55 115.89 1nin n ASP 54 Ca 0.07 0.16 -0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1nin n ASP 54 Cb 0.40 -0.21 -0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1nin n ASP 54 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nin n LEU 55 N -1.34 -0.04 -0.19 -2.12 7.99 -1.26 -0.16 117.00 119.88 1nin n LEU 55 Ca 0.00 0.07 0.18 0.00 -0.01 0.00 0.00 56.01 56.25 1nin n LEU 55 Cb 0.00 -0.01 0.32 0.00 -0.11 0.00 0.00 43.42 43.62 1nin n LEU 55 CO 0.00 -0.05 0.58 0.00 -1.51 0.00 0.00 177.39 176.40 1nin n ALA 56 N -3.50 0.60 -0.01 -1.18 0.00 -1.25 -0.90 120.51 114.27 1nin n ALA 56 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 1nin n ALA 56 Cb 0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1nin n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 57 N -3.99 0.04 -0.40 0.00 2.85 0.77 0.54 118.16 117.97 1nin n LYS 57 Ca 0.20 0.02 0.38 0.00 -1.05 0.00 0.00 58.31 57.86 1nin n LYS 57 Cb 0.72 -0.63 0.66 0.00 -0.65 0.00 0.00 35.03 35.12 1nin n LYS 57 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1nin h SER 58 N -0.06 0.00 0.03 -5.58 0.02 -0.45 0.42 113.55 107.93 1nin h SER 58 Ca -0.05 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.52 1nin h SER 58 Cb 1.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1nin h SER 58 CO -0.03 0.00 -2.38 -0.11 -1.14 0.00 0.00 176.83 173.18 1nin n LEU 59 N -3.67 2.88 0.00 5.07 -0.00 -0.07 -4.93 117.00 116.27 1nin n LEU 59 Ca 0.31 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1nin n LEU 59 Cb 1.62 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1nin n LEU 59 CO 0.34 0.91 0.00 -1.54 -0.00 0.00 0.00 177.39 177.10 1nin n SER 60 N -3.34 0.00 -4.19 1.96 3.41 0.15 -4.96 113.62 106.64 1nin n SER 60 Ca -0.43 -0.32 -0.27 0.00 -0.26 0.00 0.00 58.87 57.59 1nin n SER 60 Cb 1.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.87 1nin n SER 60 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nin s HIS 61 N 0.02 1.80 0.00 7.33 3.76 -0.55 -4.93 115.29 122.73 1nin s HIS 61 Ca 0.00 -1.25 0.00 0.00 -0.15 0.00 0.00 55.06 53.66 1nin s HIS 61 Cb 0.00 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1nin s HIS 61 CO 0.00 -0.23 0.46 1.63 -0.85 0.00 0.00 174.74 175.75 1nin n LYS 62 N -0.96 -0.51 -4.08 1.40 4.76 -1.26 -4.35 118.16 113.16 1nin n LYS 62 Ca -0.08 -0.50 -0.29 0.00 -2.87 0.00 0.00 58.31 54.57 1nin n LYS 62 Cb 0.65 -0.92 -0.07 0.00 -1.84 0.00 0.00 35.03 32.86 1nin n LYS 62 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1nin s GLN 63 N -0.08 2.81 0.15 1.97 0.74 -1.26 -5.00 119.66 119.00 1nin s GLN 63 Ca 0.00 -0.78 0.08 0.00 0.05 0.00 0.00 55.36 54.71 1nin s GLN 63 Cb 0.00 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.41 1nin s GLN 63 CO 0.00 0.54 -0.05 -0.48 -0.55 0.00 0.00 175.29 174.75 1nin s LEU 64 N -2.58 3.17 -0.30 3.68 0.05 -1.26 -4.40 118.68 117.04 1nin s LEU 64 Ca 0.29 -0.43 -0.17 0.00 0.05 0.00 0.00 54.13 53.87 1nin s LEU 64 Cb -0.11 -1.86 -0.02 0.00 -2.05 0.00 0.00 46.19 42.14 1nin s LEU 64 CO 0.22 0.12 0.45 -0.76 -0.55 0.00 0.00 176.35 175.82 1nin s LEU 65 N -2.70 4.16 -0.06 1.48 1.02 -0.16 -4.85 118.68 117.57 1nin s LEU 65 Ca 0.25 0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.55 1nin s LEU 65 Cb -0.10 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.56 1nin s LEU 65 CO 0.16 -0.30 -0.14 0.23 0.02 0.00 0.00 176.35 176.32 1nin n MET 66 N 5.50 0.22 -1.55 1.70 2.81 -1.26 -0.90 117.12 123.64 1nin n MET 66 Ca -0.06 0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.73 1nin n MET 66 Cb 0.50 -0.88 -0.08 0.00 -0.71 0.00 0.00 33.22 32.04 1nin n MET 66 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nin n SER 67 N -3.69 1.49 -1.99 7.83 7.64 -1.26 -3.94 113.62 119.70 1nin n SER 67 Ca -0.14 -1.16 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 1nin n SER 67 Cb 0.43 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.03 1nin n SER 67 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1nin n PRO 68 N 8.47 0.00 0.00 1.43 -0.04 -1.26 -0.65 135.00 142.95 1nin n PRO 68 Ca 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1nin n PRO 68 Cb 0.41 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1nin n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 69 N 2.42 1.42 3.57 0.55 0.00 -1.26 -4.92 105.19 106.97 1nin n GLY 69 Ca 0.28 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1nin n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nin s GLN 70 N 0.00 2.65 0.43 1.61 0.74 0.17 -4.85 119.66 120.40 1nin s GLN 70 Ca 0.00 -1.04 -0.03 0.00 0.05 0.00 0.00 55.36 54.33 1nin s GLN 70 Cb 0.00 -5.23 -0.04 0.00 1.10 0.00 0.00 33.01 28.84 1nin s GLN 70 CO 0.00 -3.68 0.69 0.45 -0.55 0.00 0.00 175.29 172.21 1nin s SER 71 N 6.61 6.29 0.05 6.67 0.15 -1.26 -4.62 113.70 127.59 1nin s SER 71 Ca 0.67 0.76 0.07 0.00 0.70 0.00 0.00 55.95 58.15 1nin s SER 71 Cb -0.02 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1nin s SER 71 CO 0.09 -0.46 -0.15 0.28 1.20 0.00 0.00 173.24 174.20 1nin s THR 72 N -2.56 3.05 -0.38 6.45 -1.32 -1.22 -4.92 115.64 114.74 1nin s THR 72 Ca 0.45 -1.15 -0.07 0.00 -1.21 0.00 0.00 61.69 59.70 1nin s THR 72 Cb -0.10 -2.33 0.06 0.00 -1.51 0.00 0.00 72.50 68.63 1nin s THR 72 CO 0.41 0.29 0.17 -0.94 -2.21 0.00 0.00 174.62 172.34 1nin s SER 73 N -1.62 5.42 -0.07 8.08 1.04 -1.26 -1.61 113.70 123.68 1nin s SER 73 Ca 0.16 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.24 1nin s SER 73 Cb -0.11 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 1nin s SER 73 CO 0.07 -0.43 -0.20 -0.89 0.98 0.00 0.00 173.24 172.77 1nin s THR 74 N 1.37 2.53 0.43 2.02 2.01 0.03 -4.92 115.64 119.11 1nin s THR 74 Ca 0.01 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1nin s THR 74 Cb -0.21 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1nin s THR 74 CO 0.02 0.57 0.13 0.28 -0.69 0.00 0.00 174.62 174.92 1nin s THR 75 N -0.21 2.07 0.48 -0.82 -1.32 -1.26 -0.42 115.64 114.16 1nin s THR 75 Ca -0.01 -1.80 0.05 0.00 -1.21 0.00 0.00 61.69 58.72 1nin s THR 75 Cb -0.13 -2.88 -0.01 0.00 -1.51 0.00 0.00 72.50 67.97 1nin s THR 75 CO 0.03 0.00 0.21 -0.36 -2.21 0.00 0.00 174.62 172.29 1nin s PHE 76 N -2.67 2.11 0.17 9.09 0.40 -1.10 -4.95 117.98 121.03 1nin s PHE 76 Ca 0.36 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1nin s PHE 76 Cb 0.05 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.75 1nin s PHE 76 CO 0.19 -0.02 0.24 -0.35 0.70 0.00 0.00 175.22 175.98 1nin n PRO 77 N -1.42 0.87 -0.06 0.24 -0.04 -1.26 -4.22 135.00 129.11 1nin n PRO 77 Ca -0.06 -0.91 -0.02 0.00 -0.04 0.00 0.00 63.50 62.47 1nin n PRO 77 Cb 0.65 -0.07 -0.14 0.00 -0.04 0.00 0.00 33.50 33.90 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 78 N -2.81 1.97 -0.86 0.55 0.00 -1.23 -0.52 120.51 117.61 1nin n ALA 78 Ca -0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.36 1nin n ALA 78 Cb 0.17 -0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 1nin n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nin n ASP 79 N -2.47 4.81 -4.51 0.00 8.00 -1.26 -4.87 116.55 116.25 1nin n ASP 79 Ca -0.19 -2.33 -0.24 0.00 0.71 0.00 0.00 54.79 52.74 1nin n ASP 79 Cb 0.86 -1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nin s ALA 80 N 1.65 2.66 0.28 2.24 0.00 -1.26 -5.15 121.76 122.17 1nin s ALA 80 Ca 0.55 -2.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1nin s ALA 80 Cb 0.24 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 1nin s ALA 80 CO -0.01 -0.18 0.72 -1.25 0.00 0.00 0.00 175.76 175.04 1nin s PRO 81 N -3.78 4.07 0.00 0.00 0.04 -1.26 -5.04 135.00 129.03 1nin s PRO 81 Ca 0.34 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1nin s PRO 81 Cb 0.08 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1nin s PRO 81 CO 0.16 0.25 0.00 0.00 0.04 0.00 0.00 177.00 177.45 1nin n ALA 82 N 0.04 -1.05 -0.27 8.56 0.00 -1.25 -4.72 120.51 121.82 1nin n ALA 82 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1nin n ALA 82 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1nin n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 83 N 0.00 1.98 0.00 0.00 0.00 -1.26 -4.38 105.19 101.53 1nin n GLY 83 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1nin n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nin n GLU 84 N 5.09 3.13 -1.59 1.61 0.00 -1.21 -3.72 120.64 123.94 1nin n GLU 84 Ca 0.17 -0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.88 1nin n GLU 84 Cb 0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 31.44 30.72 1nin n GLU 84 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1nin n TYR 85 N -1.28 1.31 -4.96 4.31 4.11 -0.64 -4.66 117.16 115.35 1nin n TYR 85 Ca -0.00 0.69 -0.32 0.00 -0.00 0.00 0.00 57.90 58.27 1nin n TYR 85 Cb 0.00 -2.26 -0.14 0.00 -0.00 0.00 0.00 39.34 36.94 1nin n TYR 85 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1nin s THR 86 N -0.96 2.88 -0.13 -3.48 2.01 -1.26 -1.33 115.64 113.37 1nin s THR 86 Ca 0.60 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1nin s THR 86 Cb -0.71 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1nin s THR 86 CO 0.59 0.59 -0.21 0.72 -0.69 0.00 0.00 174.62 175.62 1nin s PHE 87 N -0.66 2.67 0.05 4.92 -0.71 0.93 -0.37 117.98 124.81 1nin s PHE 87 Ca 0.10 -1.21 0.09 0.00 -1.04 0.00 0.00 56.93 54.87 1nin s PHE 87 Cb -0.11 -1.81 -0.03 0.00 -1.21 0.00 0.00 43.02 39.87 1nin s PHE 87 CO 0.01 -0.53 -0.24 1.52 -1.34 0.00 0.00 175.22 174.63 1nin s TYR 88 N 0.69 2.38 -0.45 3.49 1.13 0.21 -0.46 117.35 124.35 1nin s TYR 88 Ca -0.10 -0.37 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 1nin s TYR 88 Cb -0.16 -1.40 -0.12 0.00 -1.10 0.00 0.00 41.96 39.18 1nin s TYR 88 CO 0.01 0.17 2.32 0.00 -2.51 0.00 0.00 175.55 175.54 1nin n GLU 90 N 3.34 0.00 0.25 0.00 2.13 -0.02 0.21 120.64 126.55 1nin n GLU 90 Ca 0.36 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.27 1nin n GLU 90 Cb 0.37 0.00 0.64 0.00 0.27 0.00 0.00 31.44 32.72 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1nin h PRO 91 N 0.00 0.00 -3.31 5.31 0.13 -1.89 -3.35 132.00 128.90 1nin h PRO 91 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1nin h PRO 91 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1nin h PRO 91 CO 0.00 0.12 2.77 0.72 -0.23 0.00 0.00 178.00 181.38 1nin n HIS 92 N -4.08 2.89 -2.94 1.56 8.25 0.13 -4.97 115.22 116.06 1nin n HIS 92 Ca -0.02 -2.91 -0.30 0.00 -0.26 0.00 0.00 57.72 54.23 1nin n HIS 92 Cb 0.20 -2.18 -0.03 0.00 1.12 0.00 0.00 29.99 29.10 1nin n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1nin s ARG 93 N 1.07 3.73 0.00 -0.41 3.52 -1.26 -4.22 118.95 121.38 1nin s ARG 93 Ca 0.51 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 1nin s ARG 93 Cb 0.15 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1nin s ARG 93 CO -0.05 0.00 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1nin n GLY 94 N -1.30 1.84 2.66 8.12 0.00 -1.26 -4.79 105.19 110.46 1nin n GLY 94 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N 0.00 5.93 -0.53 4.61 0.00 -1.26 -4.83 120.51 124.43 1nin n ALA 95 Ca 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1nin n ALA 95 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1nin n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 96 N 3.91 0.00 2.39 0.00 0.00 -1.26 -4.74 105.19 105.49 1nin n GLY 96 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 1nin n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nin n MET 97 N -0.20 3.95 -4.86 1.61 2.81 -1.25 -4.31 117.12 114.88 1nin n MET 97 Ca 0.00 -2.62 -0.32 0.00 -1.81 0.00 0.00 57.70 52.94 1nin n MET 97 Cb 0.00 -2.77 -0.17 0.00 -0.71 0.00 0.00 33.22 29.58 1nin n MET 97 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1nin s VAL 98 N 1.16 2.10 0.19 2.03 -7.23 -1.26 -0.93 120.40 116.46 1nin s VAL 98 Ca 0.64 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.91 1nin s VAL 98 Cb 0.18 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1nin s VAL 98 CO -0.07 0.55 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.29 1nin s GLY 99 N 0.64 1.39 -0.02 2.32 0.00 0.39 -4.68 107.32 107.37 1nin s GLY 99 Ca -0.11 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.04 1nin s GLY 99 CO 0.02 -1.68 -0.09 1.25 0.00 0.00 0.00 173.10 172.61 1nin s LYS 100 N -3.38 0.83 -0.16 2.90 2.20 0.60 -0.05 119.74 122.68 1nin s LYS 100 Ca 0.20 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1nin s LYS 100 Cb -0.02 -0.79 -0.01 0.00 -1.51 0.00 0.00 37.83 35.50 1nin s LYS 100 CO 0.06 0.14 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.58 1nin s ILE 101 N 0.05 3.04 -0.56 5.43 2.07 -0.44 -1.05 121.20 129.75 1nin s ILE 101 Ca -0.01 -0.64 -0.08 0.00 -1.41 0.00 0.00 60.65 58.51 1nin s ILE 101 Cb -0.06 -2.31 0.14 0.00 0.13 0.00 0.00 42.46 40.36 1nin s ILE 101 CO 0.00 0.50 0.42 -0.89 -1.91 0.00 0.00 174.94 173.06 1nin s THR 102 N 0.79 4.24 -1.21 4.00 2.01 0.13 -3.36 115.64 122.24 1nin s THR 102 Ca -0.04 -2.18 -0.16 0.00 0.31 0.00 0.00 61.69 59.62 1nin s THR 102 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1nin s THR 102 CO 0.01 -0.83 2.18 0.52 -0.69 0.00 0.00 174.62 175.81 1nin n VAL 103 N 4.42 2.91 -1.28 3.82 0.31 -1.25 -0.95 118.33 126.31 1nin n VAL 103 Ca -0.01 -2.40 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 1nin n VAL 103 Cb 0.41 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 1nin n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nin n ALA 104 N 6.25 -0.43 0.00 3.52 0.00 0.57 -4.12 120.51 126.31 1nin n ALA 104 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1nin n ALA 104 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91