#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 -2.08 3.84 5.66 -1.26 -4.84 114.28 115.59 1nin n THR 2 Ca 0.00 -0.08 -0.42 0.00 -3.05 0.00 0.00 64.05 60.50 1nin n THR 2 Cb 0.00 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 1nin n THR 2 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1nin n TYR 3 N -2.58 3.86 -1.50 1.09 4.01 -1.26 -4.85 117.16 115.92 1nin n TYR 3 Ca 0.02 -2.94 -0.51 0.00 -0.16 0.00 0.00 57.90 54.31 1nin n TYR 3 Cb 0.07 -2.50 -0.05 0.00 -0.31 0.00 0.00 39.34 36.55 1nin n TYR 3 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1nin n THR 4 N 5.26 1.09 -4.22 -0.72 -2.24 -1.26 -4.81 114.28 107.38 1nin n THR 4 Ca 0.49 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.70 1nin n THR 4 Cb 0.41 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 1nin n THR 4 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nin s VAL 5 N -0.46 3.53 -0.22 2.28 0.11 -0.68 -4.80 120.40 120.16 1nin s VAL 5 Ca 0.74 -1.18 -0.05 0.00 -2.93 0.00 0.00 61.98 58.56 1nin s VAL 5 Cb -0.98 -2.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1nin s VAL 5 CO 0.55 0.13 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.90 1nin s LYS 6 N -2.18 3.46 -0.71 1.54 1.02 -0.38 -2.48 119.74 120.01 1nin s LYS 6 Ca 0.22 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 1nin s LYS 6 Cb -0.11 -3.08 0.18 0.00 -0.52 0.00 0.00 37.83 34.30 1nin s LYS 6 CO 0.14 -0.16 0.62 -0.48 -0.92 0.00 0.00 175.35 174.55 1nin s LEU 7 N 1.43 6.28 0.00 3.17 2.34 -0.79 -2.61 118.68 128.51 1nin s LEU 7 Ca 0.05 -2.49 0.00 0.00 0.06 0.00 0.00 54.13 51.75 1nin s LEU 7 Cb -0.14 -2.12 0.00 0.00 -0.56 0.00 0.00 46.19 43.36 1nin s LEU 7 CO -0.01 -0.60 0.00 0.61 -1.06 0.00 0.00 176.35 175.29 1nin n GLY 8 N 4.19 0.52 0.00 -3.48 0.00 0.11 -3.76 105.19 102.77 1nin n GLY 8 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nin n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nin n SER 9 N 0.00 0.00 0.00 1.61 7.64 -0.91 -4.26 113.62 117.70 1nin n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nin n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nin n SER 9 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nin n ASP 10 N 0.00 0.00 -0.27 6.43 9.92 -1.26 -0.51 116.55 130.86 1nin n ASP 10 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1nin n ASP 10 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nin n LYS 11 N -0.01 -0.00 0.00 -1.24 3.00 -1.26 -4.94 118.16 113.71 1nin n LYS 11 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 1nin n LYS 11 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nin n GLY 12 N 0.37 0.10 3.52 3.14 0.00 0.33 -5.16 105.19 107.49 1nin n GLY 12 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1nin n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nin s LEU 13 N -4.31 0.89 -1.36 0.99 2.96 -1.23 -5.05 118.68 111.57 1nin s LEU 13 Ca 0.00 -1.42 -0.08 0.00 -0.22 0.00 0.00 54.13 52.41 1nin s LEU 13 Cb 0.00 1.58 -0.02 0.00 0.50 0.00 0.00 46.19 48.25 1nin s LEU 13 CO 0.00 -1.31 2.79 0.18 -1.32 0.00 0.00 176.35 176.69 1nin n LEU 14 N -0.55 8.20 0.00 -0.68 4.77 -1.26 -2.39 117.00 125.09 1nin n LEU 14 Ca 0.00 -4.47 -0.06 0.00 -0.03 0.00 0.00 56.01 51.45 1nin n LEU 14 Cb 0.61 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1nin n LEU 14 CO 0.29 2.04 -0.00 1.33 -1.33 0.00 0.00 177.39 179.71 1nin n VAL 15 N 2.71 0.00 -2.37 4.08 0.24 -1.26 -4.54 118.33 117.19 1nin n VAL 15 Ca 0.69 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.34 62.14 1nin n VAL 15 Cb 0.29 -0.28 0.02 0.00 -1.47 0.00 0.00 33.84 32.40 1nin n VAL 15 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1nin n PHE 16 N -0.65 3.04 -1.69 6.34 3.01 -1.25 0.08 117.46 126.33 1nin n PHE 16 Ca -0.01 -2.66 -0.43 0.00 1.01 0.00 0.00 57.45 55.36 1nin n PHE 16 Cb 0.13 -1.02 -0.02 0.00 -0.01 0.00 0.00 39.48 38.57 1nin n PHE 16 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1nin n GLU 17 N -0.31 2.15 -0.61 -1.08 0.28 -1.07 0.46 120.64 120.46 1nin n GLU 17 Ca 0.47 0.76 -0.07 0.00 -0.16 0.00 0.00 57.16 58.17 1nin n GLU 17 Cb 0.30 -2.40 0.15 0.00 1.43 0.00 0.00 31.44 30.92 1nin n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1nin n PRO 18 N 1.32 2.25 0.00 3.44 -0.04 -1.26 -1.25 135.00 139.47 1nin n PRO 18 Ca 0.08 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1nin n PRO 18 Cb 0.34 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.13 0.00 -3.59 0.55 0.00 0.17 -4.82 120.51 112.70 1nin n ALA 19 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 1nin n ALA 19 Cb 1.01 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.32 1nin n ALA 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nin s LYS 20 N 0.00 3.13 -0.36 0.00 2.20 -1.26 -0.88 119.74 122.56 1nin s LYS 20 Ca 0.00 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.79 1nin s LYS 20 Cb 0.00 -3.01 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 1nin s LYS 20 CO 0.00 -0.30 0.12 -1.17 -0.36 0.00 0.00 175.35 173.64 1nin s LEU 21 N 1.41 4.66 -0.53 5.43 0.20 0.42 -4.99 118.68 125.27 1nin s LEU 21 Ca 0.03 -1.65 -0.24 0.00 0.69 0.00 0.00 54.13 52.96 1nin s LEU 21 Cb -0.15 -1.79 0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1nin s LEU 21 CO -0.04 -0.42 0.91 -0.89 -0.29 0.00 0.00 176.35 175.63 1nin s THR 22 N 1.21 4.44 0.60 3.68 2.01 -1.26 0.23 115.64 126.55 1nin s THR 22 Ca 0.02 0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1nin s THR 22 Cb -0.21 -4.50 0.10 0.00 0.01 0.00 0.00 72.50 67.90 1nin s THR 22 CO -0.02 -1.05 0.83 2.30 -0.69 0.00 0.00 174.62 175.99 1nin n ILE 23 N 6.18 0.00 -3.09 1.82 -5.35 0.24 -4.89 119.36 114.27 1nin n ILE 23 Ca 0.02 -1.88 -0.25 0.00 -0.27 0.00 0.00 62.75 60.36 1nin n ILE 23 Cb 0.47 -0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 37.80 1nin n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1nin s LYS 24 N -4.70 3.49 0.00 6.28 -0.14 -1.26 -1.32 119.74 122.09 1nin s LYS 24 Ca 0.62 -0.15 -0.19 0.00 -1.36 0.00 0.00 55.97 54.89 1nin s LYS 24 Cb -0.05 -2.55 -0.23 0.00 -1.68 0.00 0.00 37.83 33.32 1nin s LYS 24 CO 0.39 0.00 1.17 -0.35 -0.76 0.00 0.00 175.35 175.81 1nin n PRO 25 N -1.97 0.00 0.00 -1.68 -0.04 -1.26 -2.39 135.00 127.66 1nin n PRO 25 Ca -0.03 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1nin n PRO 25 Cb 0.56 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 4.41 0.88 4.00 0.55 0.00 -1.26 -4.75 105.19 109.03 1nin n GLY 26 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.13 4.52 0.26 1.61 -1.08 -1.00 -4.79 116.67 115.06 1nin s ASP 27 Ca 0.00 -0.48 -0.07 0.00 -0.52 0.00 0.00 52.55 51.48 1nin s ASP 27 Cb 0.00 0.06 -0.06 0.00 -1.46 0.00 0.00 42.92 41.46 1nin s ASP 27 CO 0.00 -1.74 0.55 -0.89 0.52 0.00 0.00 175.17 173.61 1nin s THR 28 N -3.03 4.99 -0.15 1.71 2.01 -1.26 -1.97 115.64 117.95 1nin s THR 28 Ca 0.65 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1nin s THR 28 Cb -0.05 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1nin s THR 28 CO 0.43 -0.22 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.31 1nin s VAL 29 N -1.97 1.57 -0.30 3.82 1.01 -1.26 -4.54 120.40 118.72 1nin s VAL 29 Ca 0.45 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1nin s VAL 29 Cb -0.11 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1nin s VAL 29 CO 0.27 0.46 0.03 -1.61 0.00 0.00 0.00 175.10 174.24 1nin s GLU 30 N 1.45 2.57 -0.33 2.72 0.41 -1.26 -1.66 118.70 122.61 1nin s GLU 30 Ca 0.04 -1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 53.35 1nin s GLU 30 Cb -0.13 -3.24 0.03 0.00 -1.78 0.00 0.00 34.13 29.00 1nin s GLU 30 CO -0.10 -0.59 0.10 -0.06 -0.49 0.00 0.00 175.26 174.12 1nin s PHE 31 N 1.32 3.21 -0.18 1.61 0.08 0.55 -1.68 117.98 122.89 1nin s PHE 31 Ca -0.03 -1.23 -0.04 0.00 0.12 0.00 0.00 56.93 55.75 1nin s PHE 31 Cb -0.19 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1nin s PHE 31 CO -0.00 -0.67 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.26 1nin s LEU 32 N 1.45 3.23 -1.16 -0.37 0.20 -1.04 -0.61 118.68 120.38 1nin s LEU 32 Ca 0.00 -0.18 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 1nin s LEU 32 Cb -0.19 -1.80 0.24 0.00 -0.43 0.00 0.00 46.19 44.02 1nin s LEU 32 CO 0.03 0.11 1.83 -0.46 -0.29 0.00 0.00 176.35 177.57 1nin n ASN 33 N 3.90 6.66 -0.27 3.68 6.94 -0.30 -1.88 115.26 134.00 1nin n ASN 33 Ca -0.17 -3.36 0.08 0.00 -0.02 0.00 0.00 54.58 51.11 1nin n ASN 33 Cb 0.52 -1.31 0.22 0.00 -2.36 0.00 0.00 39.78 36.85 1nin n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1nin h ASN 34 N 5.04 -0.02 -4.19 0.53 -1.07 -1.84 0.11 115.58 114.15 1nin h ASN 34 Ca 0.42 0.17 -0.39 0.00 0.07 0.00 0.00 56.30 56.57 1nin h ASN 34 Cb 0.49 0.23 -0.09 0.00 -2.07 0.00 0.00 38.32 36.88 1nin h ASN 34 CO 1.39 -0.09 -0.33 0.29 0.07 0.00 0.00 177.43 178.76 1nin n LYS 35 N -5.19 0.65 0.00 4.14 4.01 -1.25 -4.16 118.16 116.36 1nin n LYS 35 Ca 0.17 -2.47 0.00 0.00 -0.51 0.00 0.00 58.31 55.50 1nin n LYS 35 Cb 0.54 1.39 0.00 0.00 -0.51 0.00 0.00 35.03 36.45 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1nin n VAL 36 N -0.64 0.00 -1.21 -0.18 0.31 -1.26 -4.80 118.33 110.55 1nin n VAL 36 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.03 1nin n VAL 36 Cb 0.44 0.00 0.22 0.00 -0.91 0.00 0.00 33.84 33.58 1nin n VAL 36 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nin n PRO 37 N 0.08 -2.50 -3.81 5.55 -0.04 -1.26 -4.82 135.00 128.20 1nin n PRO 37 Ca 0.00 -1.65 -0.33 0.00 -0.04 0.00 0.00 63.50 61.48 1nin n PRO 37 Cb 0.00 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1nin n PRO 37 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nin s PRO 38 N -5.34 3.53 -0.67 0.54 0.04 -1.26 -5.03 135.00 126.81 1nin s PRO 38 Ca 0.65 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1nin s PRO 38 Cb -0.05 -3.05 0.16 0.00 0.04 0.00 0.00 34.50 31.60 1nin s PRO 38 CO 0.49 0.63 0.45 -1.01 0.04 0.00 0.00 177.00 177.60 1nin s HIS 39 N -1.37 3.50 0.05 0.56 3.76 -0.74 -4.56 115.29 116.49 1nin s HIS 39 Ca 0.30 -3.30 -0.00 0.00 -0.15 0.00 0.00 55.06 51.91 1nin s HIS 39 Cb -0.13 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 1nin s HIS 39 CO 0.19 -0.59 0.19 0.54 -0.85 0.00 0.00 174.74 174.22 1nin s ASN 40 N -1.16 6.29 -0.16 1.40 4.22 -1.26 -4.30 114.94 119.97 1nin s ASN 40 Ca 0.23 0.26 -0.03 0.00 -2.14 0.00 0.00 52.86 51.18 1nin s ASN 40 Cb -0.09 -1.93 -0.02 0.00 1.28 0.00 0.00 41.25 40.48 1nin s ASN 40 CO -0.13 0.19 -0.05 0.68 -2.04 0.00 0.00 177.10 175.75 1nin s VAL 41 N -1.45 3.71 -0.12 3.54 -7.23 -1.26 -2.55 120.40 115.02 1nin s VAL 41 Ca 0.33 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1nin s VAL 41 Cb -0.13 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1nin s VAL 41 CO 0.25 0.49 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.79 1nin s VAL 42 N 0.50 3.82 -0.05 1.32 1.01 0.05 -0.91 120.40 126.15 1nin s VAL 42 Ca -0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1nin s VAL 42 Cb -0.15 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1nin s VAL 42 CO 0.03 0.54 0.45 -0.36 0.00 0.00 0.00 175.10 175.75 1nin s PHE 43 N -0.08 3.64 1.08 5.22 0.40 -1.26 -0.75 117.98 126.22 1nin s PHE 43 Ca 0.02 0.96 -0.12 0.00 -0.60 0.00 0.00 56.93 57.19 1nin s PHE 43 Cb -0.13 -2.42 0.24 0.00 0.51 0.00 0.00 43.02 41.22 1nin s PHE 43 CO 0.03 0.42 1.07 0.34 0.70 0.00 0.00 175.22 177.78 1nin s ASP 44 N -0.31 1.60 0.00 1.36 2.15 -0.38 -4.65 116.67 116.43 1nin s ASP 44 Ca 0.25 1.77 0.08 0.00 0.43 0.00 0.00 52.55 55.07 1nin s ASP 44 Cb -0.16 -2.41 0.11 0.00 -0.30 0.00 0.00 42.92 40.16 1nin s ASP 44 CO 0.12 -3.86 0.88 0.00 -0.17 0.00 0.00 175.17 172.15 1nin n ALA 45 N -4.71 2.37 -0.11 3.66 0.00 -1.26 -4.68 120.51 115.78 1nin n ALA 45 Ca 0.06 -0.73 -0.19 0.00 0.00 0.00 0.00 53.44 52.58 1nin n ALA 45 Cb 0.53 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 0.36 1.09 -2.32 0.00 0.00 -1.26 -4.71 120.51 113.66 1nin n ALA 46 Ca 0.06 -0.94 -0.41 0.00 0.00 0.00 0.00 53.44 52.15 1nin n ALA 46 Cb 0.25 0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.33 7.63 -3.93 0.00 7.99 -1.26 -4.87 117.00 118.22 1nin n LEU 47 Ca -0.33 -5.09 -0.31 0.00 -0.01 0.00 0.00 56.01 50.27 1nin n LEU 47 Cb 0.69 -1.29 -0.15 0.00 -0.11 0.00 0.00 43.42 42.56 1nin n LEU 47 CO 0.12 2.00 -0.37 0.54 -1.51 0.00 0.00 177.39 178.17 1nin s ASN 48 N -0.40 4.27 0.08 -1.43 4.22 -1.26 -3.99 114.94 116.42 1nin s ASN 48 Ca 0.46 -1.65 -0.12 0.00 -2.14 0.00 0.00 52.86 49.41 1nin s ASN 48 Cb 0.18 -1.30 0.01 0.00 1.28 0.00 0.00 41.25 41.41 1nin s ASN 48 CO -0.09 -0.32 0.70 -0.81 -2.04 0.00 0.00 177.10 174.53 1nin n PRO 49 N 4.54 -0.17 -1.80 3.55 -0.04 -1.26 0.21 135.00 140.03 1nin n PRO 49 Ca -0.04 0.69 -0.34 0.00 -0.04 0.00 0.00 63.50 63.77 1nin n PRO 49 Cb 0.43 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -3.69 6.53 -0.98 0.55 0.00 -1.26 -4.87 120.51 116.80 1nin n ALA 50 Ca 0.02 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1nin n ALA 50 Cb 0.13 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 0.84 -0.81 0.00 0.00 3.00 0.13 -4.84 118.16 116.48 1nin n LYS 51 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1nin n LYS 51 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1nin n LYS 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nin n SER 52 N 0.46 0.00 0.00 3.14 2.88 -1.24 -5.01 113.62 113.85 1nin n SER 52 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nin n SER 52 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nin n ALA 53 N -3.00 1.95 -0.12 -1.46 0.00 -1.26 -4.81 120.51 111.81 1nin n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nin n ALA 53 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.14 0.00 -0.03 0.00 5.68 -1.26 -0.65 116.55 118.14 1nin n ASP 54 Ca 0.00 0.05 -0.15 0.00 -0.50 0.00 0.00 54.79 54.19 1nin n ASP 54 Cb 0.44 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1nin h LEU 55 N 0.00 0.36 -0.75 -2.12 6.46 -1.97 -1.86 115.31 115.44 1nin h LEU 55 Ca 0.00 -0.62 0.24 0.00 -0.12 0.00 0.00 57.88 57.38 1nin h LEU 55 Cb 0.00 -0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 39.69 1nin h LEU 55 CO 0.00 0.92 0.15 0.00 -0.62 0.00 0.00 178.44 178.89 1nin n ALA 56 N -2.49 0.51 -0.09 1.25 0.00 -0.88 -0.52 120.51 118.30 1nin n ALA 56 Ca -0.08 0.79 -0.16 0.00 0.00 0.00 0.00 53.44 53.99 1nin n ALA 56 Cb 0.46 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1nin n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 57 N -4.92 0.53 -0.48 0.00 4.01 0.17 -2.84 118.16 114.64 1nin n LYS 57 Ca 0.21 0.54 0.43 0.00 -0.51 0.00 0.00 58.31 58.98 1nin n LYS 57 Cb 0.71 -1.72 0.75 0.00 -0.51 0.00 0.00 35.03 34.26 1nin n LYS 57 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1nin h SER 58 N -1.00 0.00 0.00 4.39 0.02 -0.28 0.12 113.55 116.79 1nin h SER 58 Ca -0.24 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 1nin h SER 58 Cb 1.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1nin h SER 58 CO -0.15 0.00 -0.76 0.25 -1.14 0.00 0.00 176.83 175.04 1nin h LEU 59 N 0.00 0.00 -9.15 5.07 7.12 -0.97 -3.46 115.31 113.92 1nin h LEU 59 Ca 0.72 -0.49 -0.71 0.00 0.13 0.00 0.00 57.88 57.54 1nin h LEU 59 Cb 3.02 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 43.17 1nin h LEU 59 CO -0.01 1.18 0.98 -1.54 -0.13 0.00 0.00 178.44 178.92 1nin n SER 60 N -4.53 2.66 -4.07 1.25 3.41 0.41 -4.74 113.62 108.01 1nin n SER 60 Ca -0.20 1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 59.24 1nin n SER 60 Cb 0.51 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1nin n SER 60 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1nin n HIS 61 N 5.92 -0.94 0.06 7.33 -0.00 -0.09 -4.80 115.22 122.72 1nin n HIS 61 Ca 0.26 -1.69 0.00 0.00 -0.00 0.00 0.00 57.72 56.29 1nin n HIS 61 Cb 0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1nin n LYS 62 N -1.47 0.00 0.00 1.57 4.76 -1.26 -4.43 118.16 117.33 1nin n LYS 62 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1nin n LYS 62 Cb 0.46 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 1nin n LYS 62 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1nin n GLN 63 N -3.46 0.00 -0.28 1.97 7.27 -1.26 -4.64 117.38 116.97 1nin n GLN 63 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1nin n GLN 63 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1nin n GLN 63 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1nin n LEU 64 N 0.00 -0.32 -3.83 1.69 -0.00 -1.26 -4.75 117.00 108.52 1nin n LEU 64 Ca 0.00 -0.15 -0.24 0.00 -0.00 0.00 0.00 56.01 55.62 1nin n LEU 64 Cb 0.00 -0.11 -0.08 0.00 -0.00 0.00 0.00 43.42 43.23 1nin n LEU 64 CO 0.00 -0.30 1.10 0.18 -0.00 0.00 0.00 177.39 178.38 1nin n LEU 65 N 1.06 0.24 0.03 1.47 7.99 -1.26 -4.70 117.00 121.82 1nin n LEU 65 Ca 0.11 -1.34 -0.06 0.00 -0.01 0.00 0.00 56.01 54.70 1nin n LEU 65 Cb 0.04 -0.54 0.13 0.00 -0.11 0.00 0.00 43.42 42.95 1nin n LEU 65 CO 0.19 -1.92 0.58 0.24 -1.51 0.00 0.00 177.39 174.98 1nin h MET 66 N 9.30 0.45 -5.16 3.23 2.86 -1.91 -1.96 114.93 121.74 1nin h MET 66 Ca 0.13 -0.24 -0.66 0.00 -2.06 0.00 0.00 59.70 56.87 1nin h MET 66 Cb 0.71 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 32.21 1nin h MET 66 CO 1.38 0.81 0.45 -1.54 1.06 0.00 0.00 176.91 179.07 1nin s SER 67 N -6.87 6.24 0.40 1.22 1.04 -1.26 -4.61 113.70 109.85 1nin s SER 67 Ca -0.06 -1.27 -0.27 0.00 0.48 0.00 0.00 55.95 54.83 1nin s SER 67 Cb 0.12 -2.38 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 1nin s SER 67 CO 0.81 -1.29 1.39 -0.81 0.98 0.00 0.00 173.24 174.32 1nin n PRO 68 N 7.14 2.30 0.00 4.02 -0.04 -1.26 -4.16 135.00 142.99 1nin n PRO 68 Ca -0.02 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1nin n PRO 68 Cb 0.45 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 0.62 1.52 3.46 0.55 0.00 0.40 -4.95 105.19 106.78 1nin n GLY 69 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1nin n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nin s GLN 70 N -0.13 2.00 -0.36 1.61 -0.21 -1.26 -4.95 119.66 116.36 1nin s GLN 70 Ca 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 1nin s GLN 70 Cb 0.00 -2.16 0.08 0.00 1.00 0.00 0.00 33.01 31.93 1nin s GLN 70 CO 0.00 0.53 0.11 -1.54 -2.12 0.00 0.00 175.29 172.27 1nin s SER 71 N -1.56 5.09 0.39 5.90 1.04 -1.26 -1.15 113.70 122.16 1nin s SER 71 Ca 0.15 -1.68 0.08 0.00 0.48 0.00 0.00 55.95 54.97 1nin s SER 71 Cb -0.10 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1nin s SER 71 CO 0.06 -0.41 0.20 0.28 0.98 0.00 0.00 173.24 174.35 1nin s THR 72 N 1.19 2.55 0.11 2.02 -1.32 0.22 -4.91 115.64 115.50 1nin s THR 72 Ca 0.03 -1.65 0.07 0.00 -1.21 0.00 0.00 61.69 58.93 1nin s THR 72 Cb -0.21 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 1nin s THR 72 CO -0.03 -0.05 -0.11 -0.55 -2.21 0.00 0.00 174.62 171.67 1nin s SER 73 N -3.92 4.30 -0.28 8.08 0.15 -1.26 -0.33 113.70 120.44 1nin s SER 73 Ca 0.41 -0.43 0.21 0.00 0.70 0.00 0.00 55.95 56.85 1nin s SER 73 Cb 0.01 -0.78 0.49 0.00 -1.71 0.00 0.00 66.02 64.03 1nin s SER 73 CO 0.23 0.17 1.13 0.41 1.20 0.00 0.00 173.24 176.38 1nin n THR 74 N 0.68 1.09 -0.85 6.45 -1.04 -0.66 -4.97 114.28 114.99 1nin n THR 74 Ca -0.14 -2.75 -0.33 0.00 -2.04 0.00 0.00 64.05 58.79 1nin n THR 74 Cb 0.52 1.17 0.11 0.00 -1.82 0.00 0.00 70.33 70.32 1nin n THR 74 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1nin n THR 75 N -0.59 0.15 -3.71 12.58 -1.04 -1.26 -4.58 114.28 115.83 1nin n THR 75 Ca 0.05 -0.22 -0.35 0.00 -2.04 0.00 0.00 64.05 61.49 1nin n THR 75 Cb 0.81 -0.59 -0.08 0.00 -1.82 0.00 0.00 70.33 68.64 1nin n THR 75 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1nin s PHE 76 N -2.33 3.70 0.00 -1.42 0.08 -0.83 -4.90 117.98 112.27 1nin s PHE 76 Ca 0.56 -3.01 0.00 0.00 0.12 0.00 0.00 56.93 54.61 1nin s PHE 76 Cb -0.22 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1nin s PHE 76 CO 0.68 -0.73 0.00 -2.30 -0.10 0.00 0.00 175.22 172.76 1nin n PRO 77 N 2.58 1.50 -3.47 0.24 -0.02 -1.26 -4.09 135.00 130.47 1nin n PRO 77 Ca 0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.44 1nin n PRO 77 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.88 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nin n ALA 78 N -3.00 -2.56 0.00 3.55 0.00 -1.26 -3.75 120.51 113.50 1nin n ALA 78 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nin n ALA 78 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 15.76 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 -2.62 0.00 -4.78 0.00 8.00 -1.26 -4.79 116.55 111.09 1nin n ASP 79 Ca -0.09 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.07 1nin n ASP 79 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.00 2.66 0.46 2.24 0.00 -1.25 -5.03 121.76 120.84 1nin s ALA 80 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1nin s ALA 80 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1nin s ALA 80 CO 0.00 -0.89 0.40 -0.35 0.00 0.00 0.00 175.76 174.92 1nin n PRO 81 N -1.83 0.44 -2.60 0.00 -0.04 -1.26 -4.08 135.00 125.63 1nin n PRO 81 Ca 0.10 -1.18 -0.23 0.00 -0.04 0.00 0.00 63.50 62.15 1nin n PRO 81 Cb 0.52 -0.24 0.04 0.00 -0.04 0.00 0.00 33.50 33.78 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin s ALA 82 N -2.78 3.64 0.00 0.55 0.00 -1.26 -4.79 121.76 117.12 1nin s ALA 82 Ca 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1nin s ALA 82 Cb -0.02 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1nin s ALA 82 CO 0.18 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1nin n GLY 83 N -2.43 0.41 3.46 0.00 0.00 0.55 -4.75 105.19 102.43 1nin n GLY 83 Ca 0.06 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 1nin n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nin s GLU 84 N -0.46 3.13 0.07 1.61 2.12 -1.26 -0.18 118.70 123.72 1nin s GLU 84 Ca 0.00 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.74 1nin s GLU 84 Cb 0.00 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1nin s GLU 84 CO 0.00 0.40 0.02 0.71 -0.54 0.00 0.00 175.26 175.85 1nin s TYR 85 N -0.12 3.07 -0.10 5.30 2.02 0.17 -4.53 117.35 123.16 1nin s TYR 85 Ca -0.00 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 1nin s TYR 85 Cb -0.13 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1nin s TYR 85 CO 0.03 0.49 -0.23 0.99 -1.57 0.00 0.00 175.55 175.27 1nin s THR 86 N -1.29 1.96 -0.10 -0.71 2.01 -1.26 -1.06 115.64 115.20 1nin s THR 86 Ca 0.25 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1nin s THR 86 Cb -0.12 -1.70 -0.00 0.00 0.01 0.00 0.00 72.50 70.69 1nin s THR 86 CO 0.18 0.54 -0.24 0.72 -0.69 0.00 0.00 174.62 175.12 1nin s PHE 87 N 0.43 2.55 0.05 4.92 -0.12 0.67 -1.25 117.98 125.22 1nin s PHE 87 Ca -0.17 -1.04 0.07 0.00 -0.05 0.00 0.00 56.93 55.74 1nin s PHE 87 Cb -0.17 -1.70 -0.03 0.00 -0.63 0.00 0.00 43.02 40.48 1nin s PHE 87 CO 0.07 -0.41 -0.17 1.52 -0.05 0.00 0.00 175.22 176.18 1nin s TYR 88 N 0.33 2.59 -1.21 3.49 -0.85 0.07 -0.07 117.35 121.70 1nin s TYR 88 Ca -0.19 -0.24 -0.17 0.00 -0.52 0.00 0.00 57.07 55.96 1nin s TYR 88 Cb -0.18 -1.46 -0.04 0.00 0.38 0.00 0.00 41.96 40.66 1nin s TYR 88 CO 0.09 0.28 2.14 0.00 -1.52 0.00 0.00 175.55 176.54 1nin n GLU 90 N 6.32 0.00 -0.03 0.00 2.13 -1.06 0.17 120.64 128.16 1nin n GLU 90 Ca 0.52 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.25 1nin n GLU 90 Cb 0.39 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.07 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 -0.09 -0.88 5.31 0.13 -1.84 -2.93 132.00 131.69 1nin h PRO 91 Ca 0.00 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.61 1nin h PRO 91 Cb 0.00 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 30.87 1nin h PRO 91 CO 0.00 -0.06 0.50 0.72 -0.23 0.00 0.00 178.00 178.93 1nin n HIS 92 N -5.27 2.80 -0.03 1.56 8.25 0.44 -5.03 115.22 117.94 1nin n HIS 92 Ca -0.02 -2.29 0.00 0.00 -0.26 0.00 0.00 57.72 55.15 1nin n HIS 92 Cb 0.19 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.28 1nin n HIS 92 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nin n ARG 93 N -1.02 1.21 0.00 -0.41 0.63 0.62 -0.87 116.66 116.82 1nin n ARG 93 Ca 0.56 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1nin n ARG 93 Cb 1.14 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 34.00 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nin n GLY 94 N 0.14 0.00 0.02 5.14 0.00 -1.26 -1.11 105.19 108.12 1nin n GLY 94 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.01 3.71 0.10 4.61 0.00 -1.26 -4.84 120.51 121.81 1nin n ALA 95 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1nin n ALA 95 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.41 -0.20 3.11 0.00 0.00 -0.26 -5.03 105.19 104.23 1nin n GLY 96 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.33 2.74 -5.09 1.61 2.81 -0.05 -4.70 117.12 111.10 1nin n MET 97 Ca 0.00 -4.48 -0.32 0.00 -1.81 0.00 0.00 57.70 51.09 1nin n MET 97 Cb 0.03 -2.42 -0.16 0.00 -0.71 0.00 0.00 33.22 29.96 1nin n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1nin s VAL 98 N -1.43 2.43 0.15 2.03 1.01 -1.26 -0.34 120.40 122.99 1nin s VAL 98 Ca 0.28 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1nin s VAL 98 Cb -0.07 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1nin s VAL 98 CO -0.12 0.56 -0.11 -0.83 0.00 0.00 0.00 175.10 174.60 1nin s GLY 99 N -0.06 1.10 -0.04 4.51 0.00 0.90 -4.76 107.32 108.97 1nin s GLY 99 Ca -0.05 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1nin s GLY 99 CO 0.04 -1.55 -0.13 0.54 0.00 0.00 0.00 173.10 172.01 1nin s LYS 100 N -3.49 1.35 -0.25 2.90 1.02 -0.06 -0.24 119.74 120.97 1nin s LYS 100 Ca 0.15 -0.44 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 1nin s LYS 100 Cb 0.01 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.11 1nin s LYS 100 CO 0.02 0.16 0.01 -1.50 -0.92 0.00 0.00 175.35 173.11 1nin s ILE 101 N 0.16 3.58 -0.45 2.17 2.07 -0.22 -0.44 121.20 128.07 1nin s ILE 101 Ca -0.04 -0.61 -0.16 0.00 -1.41 0.00 0.00 60.65 58.43 1nin s ILE 101 Cb -0.10 -2.74 0.05 0.00 0.13 0.00 0.00 42.46 39.80 1nin s ILE 101 CO 0.01 0.27 0.43 -0.89 -1.91 0.00 0.00 174.94 172.85 1nin s THR 102 N 1.48 5.14 -0.37 4.00 2.01 0.13 -0.65 115.64 127.38 1nin s THR 102 Ca 0.04 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1nin s THR 102 Cb -0.16 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1nin s THR 102 CO -0.01 -0.53 0.59 -0.69 -0.69 0.00 0.00 174.62 173.29 1nin s VAL 103 N 1.94 4.93 0.00 3.82 1.01 0.74 0.81 120.40 133.65 1nin s VAL 103 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1nin s VAL 103 Cb -0.21 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1nin s VAL 103 CO 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 175.10 174.88 1nin n ALA 104 N 5.95 2.62 -1.14 5.51 0.00 -0.43 -0.33 120.51 132.70 1nin n ALA 104 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1nin n ALA 104 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91