#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 -2.72 2.62 -2.24 -1.23 -3.29 114.28 107.42 1nin n THR 2 Ca 0.00 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 1nin n THR 2 Cb 0.00 -0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nin s TYR 3 N 4.78 2.74 -1.03 4.78 2.02 -1.26 -4.54 117.35 124.83 1nin s TYR 3 Ca 0.31 0.24 -0.22 0.00 -0.37 0.00 0.00 57.07 57.03 1nin s TYR 3 Cb 0.07 -4.25 -0.11 0.00 -0.40 0.00 0.00 41.96 37.27 1nin s TYR 3 CO 0.15 -1.40 1.92 0.25 -1.57 0.00 0.00 175.55 174.90 1nin n THR 4 N 6.45 1.99 -1.67 -0.71 -2.24 -1.26 -0.44 114.28 116.41 1nin n THR 4 Ca 0.05 -1.95 -0.44 0.00 -2.27 0.00 0.00 64.05 59.44 1nin n THR 4 Cb 0.48 -2.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.46 1nin n THR 4 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nin n VAL 5 N 7.02 1.47 -3.89 2.28 0.31 0.23 -4.76 118.33 120.99 1nin n VAL 5 Ca 0.47 -0.37 -0.35 0.00 -0.01 0.00 0.00 64.34 64.08 1nin n VAL 5 Cb 0.44 -1.42 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 1nin n VAL 5 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1nin s LYS 6 N -1.10 2.20 -1.32 5.55 0.00 0.22 -2.12 119.74 123.16 1nin s LYS 6 Ca 0.62 -1.49 -0.09 0.00 0.00 0.00 0.00 55.97 55.01 1nin s LYS 6 Cb -0.64 -3.29 -0.09 0.00 0.00 0.00 0.00 37.83 33.81 1nin s LYS 6 CO 0.56 -0.78 2.77 1.47 0.00 0.00 0.00 175.35 179.36 1nin n LEU 7 N 4.57 7.48 0.00 2.77 -0.00 -1.26 -0.68 117.00 129.88 1nin n LEU 7 Ca -0.08 -3.87 0.00 0.00 -0.00 0.00 0.00 56.01 52.06 1nin n LEU 7 Cb 0.43 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1nin n LEU 7 CO 0.28 1.65 0.00 0.61 -0.00 0.00 0.00 177.39 179.93 1nin n GLY 8 N 3.55 2.22 3.56 1.47 0.00 0.40 -4.58 105.19 111.81 1nin n GLY 8 Ca 0.67 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1nin n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nin s SER 9 N 0.00 4.17 0.18 1.61 0.15 0.65 -4.72 113.70 115.74 1nin s SER 9 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1nin s SER 9 Cb 0.00 -0.67 0.41 0.00 -1.71 0.00 0.00 66.02 64.05 1nin s SER 9 CO 0.00 0.09 0.90 -0.90 1.20 0.00 0.00 173.24 174.53 1nin n ASP 10 N -0.03 -0.09 -0.58 5.45 5.75 -1.26 -1.12 116.55 124.67 1nin n ASP 10 Ca -0.10 0.98 0.00 0.00 -0.01 0.00 0.00 54.79 55.65 1nin n ASP 10 Cb 0.56 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1nin n ASP 10 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nin n LYS 11 N -4.76 0.52 -2.94 0.11 5.02 -1.26 -4.70 118.16 110.15 1nin n LYS 11 Ca 0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 1nin n LYS 11 Cb 0.41 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nin n GLY 12 N 0.32 0.11 3.37 0.72 0.00 -0.27 -4.99 105.19 104.44 1nin n GLY 12 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1nin n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nin s LEU 13 N -4.20 4.99 -1.03 0.99 1.43 -0.71 -4.97 118.68 115.18 1nin s LEU 13 Ca 0.26 -1.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 1nin s LEU 13 Cb -0.12 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1nin s LEU 13 CO 0.32 -0.46 1.93 0.18 0.23 0.00 0.00 176.35 178.56 1nin n LEU 14 N 5.04 3.91 -4.88 1.79 4.77 -1.26 -0.25 117.00 126.12 1nin n LEU 14 Ca -0.11 -3.17 -0.28 0.00 -0.03 0.00 0.00 56.01 52.41 1nin n LEU 14 Cb 0.45 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1nin n LEU 14 CO 0.39 -0.83 -0.01 -0.69 -1.33 0.00 0.00 177.39 174.92 1nin s VAL 15 N 7.29 1.44 -0.30 4.08 1.01 -1.26 -4.74 120.40 127.92 1nin s VAL 15 Ca 0.61 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1nin s VAL 15 Cb 0.07 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.53 1nin s VAL 15 CO 0.11 0.00 0.26 0.12 0.00 0.00 0.00 175.10 175.59 1nin s PHE 16 N -2.82 -0.23 -0.18 5.22 2.19 -1.26 -0.45 117.98 120.44 1nin s PHE 16 Ca 0.25 -0.44 -0.02 0.00 0.33 0.00 0.00 56.93 57.06 1nin s PHE 16 Cb -0.02 -0.57 -0.01 0.00 -1.31 0.00 0.00 43.02 41.12 1nin s PHE 16 CO 0.16 -0.90 -0.10 -1.21 1.83 0.00 0.00 175.22 174.99 1nin s GLU 17 N 2.17 3.31 -1.01 10.12 2.02 0.14 0.20 118.70 135.66 1nin s GLU 17 Ca 0.10 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 1nin s GLU 17 Cb -0.15 -2.79 0.23 0.00 0.10 0.00 0.00 34.13 31.52 1nin s GLU 17 CO -0.30 -0.05 1.04 -1.25 0.02 0.00 0.00 175.26 174.72 1nin s PRO 18 N 1.03 3.92 0.00 0.39 0.04 -1.26 -0.61 135.00 138.50 1nin s PRO 18 Ca -0.01 -2.71 0.00 0.00 0.04 0.00 0.00 61.00 58.32 1nin s PRO 18 Cb -0.15 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1nin s PRO 18 CO -0.02 -1.39 0.00 0.00 0.04 0.00 0.00 177.00 175.63 1nin n ALA 19 N 3.97 0.00 -3.60 8.56 0.00 0.13 -2.86 120.51 126.70 1nin n ALA 19 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1nin n ALA 19 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1nin n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nin s LYS 20 N -2.84 2.74 -0.52 0.00 -0.14 -1.26 -0.34 119.74 117.37 1nin s LYS 20 Ca 0.00 -2.30 -0.07 0.00 -1.36 0.00 0.00 55.97 52.24 1nin s LYS 20 Cb 0.00 -3.92 0.14 0.00 -1.68 0.00 0.00 37.83 32.36 1nin s LYS 20 CO 0.00 -1.20 0.38 -1.17 -0.76 0.00 0.00 175.35 172.60 1nin s LEU 21 N 0.39 5.62 -0.44 3.17 0.20 0.26 -4.99 118.68 122.89 1nin s LEU 21 Ca 0.14 -2.20 -0.27 0.00 0.69 0.00 0.00 54.13 52.49 1nin s LEU 21 Cb -0.20 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.63 1nin s LEU 21 CO -0.04 -0.59 1.01 -0.89 -0.29 0.00 0.00 176.35 175.55 1nin s THR 22 N 0.92 4.40 0.00 3.68 2.01 -1.26 -0.14 115.64 125.25 1nin s THR 22 Ca 0.10 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1nin s THR 22 Cb -0.23 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.81 1nin s THR 22 CO -0.03 -0.81 0.00 2.30 -0.69 0.00 0.00 174.62 175.39 1nin n ILE 23 N 6.44 0.00 -3.15 1.82 -5.35 0.11 -4.89 119.36 114.34 1nin n ILE 23 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1nin n ILE 23 Cb 0.48 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 1nin n ILE 23 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nin n LYS 24 N 0.00 1.20 -0.56 6.28 4.01 -1.26 -4.21 118.16 123.62 1nin n LYS 24 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1nin n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1nin n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1nin n PRO 25 N -0.82 0.00 0.00 1.97 -0.04 -1.21 -0.85 135.00 134.05 1nin n PRO 25 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nin n PRO 25 Cb 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 2.26 2.57 1.34 0.55 0.00 -1.26 -4.96 105.19 105.69 1nin n GLY 26 Ca 0.00 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.62 1nin n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nin n ASP 27 N 2.91 -7.53 -0.99 1.61 -0.08 -1.26 -3.57 116.55 107.64 1nin n ASP 27 Ca 0.00 0.97 -0.01 0.00 -1.51 0.00 0.00 54.79 54.24 1nin n ASP 27 Cb 0.00 -4.37 0.20 0.00 2.34 0.00 0.00 41.12 39.30 1nin n ASP 27 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1nin n THR 28 N -4.05 2.45 -1.42 5.18 -1.04 -1.26 -1.07 114.28 113.06 1nin n THR 28 Ca -0.04 -2.85 -0.38 0.00 -2.04 0.00 0.00 64.05 58.73 1nin n THR 28 Cb 0.66 -0.30 0.03 0.00 -1.82 0.00 0.00 70.33 68.90 1nin n THR 28 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1nin n VAL 29 N -1.11 1.76 -4.59 12.58 0.24 -1.21 -3.49 118.33 122.51 1nin n VAL 29 Ca 0.29 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 1nin n VAL 29 Cb 0.93 -0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 32.66 1nin n VAL 29 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nin s GLU 30 N -1.83 2.55 -0.38 7.34 0.41 0.42 -0.63 118.70 126.59 1nin s GLU 30 Ca 0.66 -0.70 -0.03 0.00 -0.41 0.00 0.00 54.97 54.50 1nin s GLU 30 Cb -0.46 -2.47 0.09 0.00 -1.78 0.00 0.00 34.13 29.50 1nin s GLU 30 CO 0.57 0.62 0.15 -0.06 -0.49 0.00 0.00 175.26 176.04 1nin s PHE 31 N -0.90 3.50 -0.20 1.61 0.40 0.45 0.74 117.98 123.59 1nin s PHE 31 Ca 0.15 -2.25 -0.05 0.00 -0.60 0.00 0.00 56.93 54.17 1nin s PHE 31 Cb -0.11 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 1nin s PHE 31 CO 0.05 -0.92 0.01 -1.17 0.70 0.00 0.00 175.22 173.89 1nin s LEU 32 N 1.18 3.36 -1.31 -0.37 0.20 -0.90 -1.06 118.68 119.77 1nin s LEU 32 Ca 0.05 -0.15 -0.17 0.00 0.69 0.00 0.00 54.13 54.55 1nin s LEU 32 Cb -0.22 -1.85 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1nin s LEU 32 CO -0.03 0.09 1.97 -3.20 -0.29 0.00 0.00 176.35 174.88 1nin n ASN 33 N 4.10 4.14 0.02 3.68 5.15 -0.32 -4.18 115.26 127.85 1nin n ASN 33 Ca -0.17 -2.85 -0.01 0.00 -0.60 0.00 0.00 54.58 50.95 1nin n ASN 33 Cb 0.52 -1.66 -0.00 0.00 -0.53 0.00 0.00 39.78 38.11 1nin n ASN 33 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nin h ASN 34 N 7.16 -0.05 0.00 1.20 -1.07 -1.86 0.22 115.58 121.18 1nin h ASN 34 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.85 1nin h ASN 34 Cb 0.77 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.03 1nin h ASN 34 CO 1.65 -0.01 -0.16 0.29 0.07 0.00 0.00 177.43 179.28 1nin n LYS 35 N -2.35 0.36 -3.15 4.14 5.02 -1.26 -4.25 118.16 116.67 1nin n LYS 35 Ca -0.01 -0.88 -0.20 0.00 -2.02 0.00 0.00 58.31 55.21 1nin n LYS 35 Cb 0.02 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nin n VAL 36 N -0.13 0.37 -0.76 -0.18 0.31 -1.26 -4.19 118.33 112.49 1nin n VAL 36 Ca 0.01 -4.73 -0.28 0.00 -0.01 0.00 0.00 64.34 59.32 1nin n VAL 36 Cb 0.55 -0.56 0.23 0.00 -0.91 0.00 0.00 33.84 33.15 1nin n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nin s PRO 37 N -2.54 -0.77 -0.20 5.55 0.04 -1.26 -4.55 135.00 131.27 1nin s PRO 37 Ca 0.41 0.60 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1nin s PRO 37 Cb 0.33 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 33.25 1nin s PRO 37 CO -0.09 -3.56 0.54 -1.25 0.04 0.00 0.00 177.00 172.68 1nin s PRO 38 N -4.71 4.19 -1.07 0.56 0.04 -1.26 -5.07 135.00 127.68 1nin s PRO 38 Ca 0.68 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1nin s PRO 38 Cb -0.21 -3.57 0.19 0.00 0.04 0.00 0.00 34.50 30.94 1nin s PRO 38 CO 0.62 -0.18 1.21 -1.01 0.04 0.00 0.00 177.00 177.68 1nin s HIS 39 N 1.72 3.57 -0.19 0.56 3.76 -1.19 -4.36 115.29 119.16 1nin s HIS 39 Ca 0.25 -2.02 -0.13 0.00 -0.15 0.00 0.00 55.06 53.01 1nin s HIS 39 Cb -0.15 -4.16 -0.05 0.00 1.11 0.00 0.00 32.58 29.33 1nin s HIS 39 CO 0.10 -1.29 0.25 1.21 -0.85 0.00 0.00 174.74 174.15 1nin s ASN 40 N 2.69 6.33 -0.15 1.40 2.47 -1.26 -4.58 114.94 121.84 1nin s ASN 40 Ca 0.35 0.37 -0.06 0.00 0.42 0.00 0.00 52.86 53.94 1nin s ASN 40 Cb -0.05 -2.15 -0.04 0.00 -1.45 0.00 0.00 41.25 37.55 1nin s ASN 40 CO -0.05 0.09 0.06 0.68 -3.72 0.00 0.00 177.10 174.15 1nin s VAL 41 N 0.66 4.76 -0.80 -5.21 -7.23 -1.26 -0.44 120.40 110.88 1nin s VAL 41 Ca 0.13 -0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1nin s VAL 41 Cb -0.13 -3.10 0.24 0.00 0.56 0.00 0.00 36.38 33.96 1nin s VAL 41 CO 0.03 0.52 0.86 0.52 -0.31 0.00 0.00 175.10 176.72 1nin n VAL 42 N 2.95 2.98 -1.48 1.32 0.31 0.67 -0.54 118.33 124.55 1nin n VAL 42 Ca -0.18 -5.28 -0.55 0.00 -0.01 0.00 0.00 64.34 58.32 1nin n VAL 42 Cb 0.53 -2.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 1nin n VAL 42 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1nin n PHE 43 N 1.44 0.34 -3.43 3.52 3.72 -1.26 -4.43 117.46 117.36 1nin n PHE 43 Ca 0.26 1.00 -0.09 0.00 -0.05 0.00 0.00 57.45 58.57 1nin n PHE 43 Cb 0.38 -2.07 0.01 0.00 -0.94 0.00 0.00 39.48 36.86 1nin n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1nin n ASP 44 N 1.71 1.35 -0.05 4.37 5.68 -1.16 -4.44 116.55 124.02 1nin n ASP 44 Ca 0.19 -1.65 -0.06 0.00 -0.50 0.00 0.00 54.79 52.77 1nin n ASP 44 Cb 0.15 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.01 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nin n ALA 45 N -2.64 1.80 -0.24 2.12 0.00 -1.26 -4.50 120.51 115.80 1nin n ALA 45 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1nin n ALA 45 Cb 0.23 0.21 0.16 0.00 0.00 0.00 0.00 19.45 20.05 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin h ALA 46 N 0.12 0.93 -0.95 0.00 0.00 -1.94 -1.25 119.26 116.17 1nin h ALA 46 Ca -0.21 0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 1nin h ALA 46 Cb 1.38 0.13 -0.29 0.00 0.00 0.00 0.00 17.79 19.01 1nin h ALA 46 CO -0.02 -0.26 0.63 1.28 0.00 0.00 0.00 179.25 180.88 1nin n LEU 47 N -5.06 6.73 -4.78 0.00 4.32 -1.26 -4.95 117.00 111.99 1nin n LEU 47 Ca 0.12 -3.79 -0.32 0.00 -0.02 0.00 0.00 56.01 52.00 1nin n LEU 47 Cb 0.39 -0.85 -0.07 0.00 -1.62 0.00 0.00 43.42 41.27 1nin n LEU 47 CO 0.17 1.18 -0.25 0.21 -1.22 0.00 0.00 177.39 177.48 1nin s ASN 48 N -1.55 5.64 0.12 -1.43 3.84 -0.47 -3.79 114.94 117.29 1nin s ASN 48 Ca 0.58 0.08 -0.20 0.00 0.21 0.00 0.00 52.86 53.52 1nin s ASN 48 Cb 0.48 -1.58 -0.08 0.00 -0.55 0.00 0.00 41.25 39.53 1nin s ASN 48 CO 0.07 0.22 1.77 1.55 -2.79 0.00 0.00 177.10 177.92 1nin h PRO 49 N 3.66 0.21 -2.13 0.43 0.13 -1.87 -3.25 132.00 129.19 1nin h PRO 49 Ca -0.48 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 1nin h PRO 49 Cb 1.17 -0.05 -0.35 0.00 0.13 0.00 0.00 31.00 31.91 1nin h PRO 49 CO 0.65 0.14 0.17 0.00 -0.23 0.00 0.00 178.00 178.73 1nin n ALA 50 N -2.15 5.48 0.00 -0.56 0.00 -1.26 -4.99 120.51 117.03 1nin n ALA 50 Ca -0.04 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1nin n ALA 50 Cb 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nin n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 51 N -0.25 0.00 -3.86 0.00 4.01 -1.23 -4.84 118.16 111.98 1nin n LYS 51 Ca 0.41 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.99 1nin n LYS 51 Cb 0.36 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.83 1nin n LYS 51 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1nin s SER 52 N 0.00 4.87 -0.18 4.39 1.04 -1.26 -5.00 113.70 117.56 1nin s SER 52 Ca 0.00 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 1nin s SER 52 Cb 0.00 -0.67 -0.09 0.00 0.10 0.00 0.00 66.02 65.36 1nin s SER 52 CO 0.00 -0.48 -0.20 0.00 0.98 0.00 0.00 173.24 173.53 1nin n ALA 53 N -1.35 1.75 -0.08 5.32 0.00 -1.26 -4.33 120.51 120.56 1nin n ALA 53 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.69 1nin n ALA 53 Cb 0.62 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 1nin n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nin n ASP 54 N -3.51 -0.20 -0.06 0.00 9.92 -1.26 -0.65 116.55 120.79 1nin n ASP 54 Ca -0.34 0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 1nin n ASP 54 Cb 0.78 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 41.20 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1nin h LEU 55 N 0.00 0.00 -0.51 0.64 7.12 -1.99 -3.28 115.31 117.29 1nin h LEU 55 Ca 0.03 -0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.07 1nin h LEU 55 Cb 0.08 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.12 1nin h LEU 55 CO -0.18 0.61 -0.19 0.00 -0.13 0.00 0.00 178.44 178.56 1nin n ALA 56 N -3.01 -0.03 -0.03 1.25 0.00 -0.14 -0.22 120.51 118.33 1nin n ALA 56 Ca -0.03 0.51 -0.14 0.00 0.00 0.00 0.00 53.44 53.78 1nin n ALA 56 Cb 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 1nin n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nin h LYS 57 N 0.00 0.15 -1.23 0.00 1.63 -1.07 0.20 116.57 116.25 1nin h LYS 57 Ca 0.19 -0.12 0.36 0.00 -0.85 0.00 0.00 60.65 60.23 1nin h LYS 57 Cb 0.31 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.89 1nin h LYS 57 CO -0.50 0.75 0.85 0.77 -3.45 0.00 0.00 179.45 177.86 1nin h SER 58 N -0.41 0.18 0.00 4.20 0.02 -0.66 -1.43 113.55 115.45 1nin h SER 58 Ca -0.01 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1nin h SER 58 Cb 0.77 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1nin h SER 58 CO 0.03 -0.00 -0.64 0.25 -1.14 0.00 0.00 176.83 175.33 1nin h LEU 59 N 0.13 0.00 -9.80 5.07 5.85 -1.02 -3.47 115.31 112.07 1nin h LEU 59 Ca 0.65 -0.30 -0.57 0.00 0.84 0.00 0.00 57.88 58.50 1nin h LEU 59 Cb 2.22 0.00 0.17 0.00 0.37 0.00 0.00 40.66 43.41 1nin h LEU 59 CO -0.16 1.01 0.02 -1.54 -0.34 0.00 0.00 178.44 177.42 1nin n SER 60 N -4.58 0.34 0.00 1.25 3.41 0.70 -4.81 113.62 109.93 1nin n SER 60 Ca -0.15 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1nin n SER 60 Cb 0.40 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1nin n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nin n HIS 61 N -1.93 0.00 0.00 7.33 8.25 0.30 -4.87 115.22 124.31 1nin n HIS 61 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1nin n HIS 61 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1nin n HIS 61 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1nin n LYS 62 N 0.00 0.00 -3.33 -0.41 2.85 -1.26 -5.02 118.16 110.99 1nin n LYS 62 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1nin n LYS 62 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 1nin n LYS 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nin n GLN 63 N -1.88 -1.71 -1.05 -1.58 10.64 -1.26 -4.54 117.38 116.00 1nin n GLN 63 Ca 0.00 1.22 -0.02 0.00 -1.83 0.00 0.00 57.00 56.37 1nin n GLN 63 Cb 0.00 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1nin n GLN 63 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1nin n LEU 64 N -0.42 -0.39 -4.07 2.61 4.32 -1.26 -4.68 117.00 113.11 1nin n LEU 64 Ca -0.11 0.02 -0.21 0.00 -0.02 0.00 0.00 56.01 55.69 1nin n LEU 64 Cb 0.63 -0.20 -0.09 0.00 -1.62 0.00 0.00 43.42 42.14 1nin n LEU 64 CO 0.52 -0.10 1.13 -0.11 -1.22 0.00 0.00 177.39 177.61 1nin n LEU 65 N 0.33 0.50 0.25 2.23 -0.00 -1.26 -4.79 117.00 114.26 1nin n LEU 65 Ca -0.00 -1.78 -0.14 0.00 -0.00 0.00 0.00 56.01 54.09 1nin n LEU 65 Cb 0.07 -0.97 -0.07 0.00 -0.00 0.00 0.00 43.42 42.45 1nin n LEU 65 CO 0.03 -2.54 0.52 0.24 -0.00 0.00 0.00 177.39 175.64 1nin h MET 66 N 10.23 -0.76 -6.01 1.96 2.86 -1.90 -3.15 114.93 118.15 1nin h MET 66 Ca 0.09 0.05 -0.64 0.00 -2.06 0.00 0.00 59.70 57.14 1nin h MET 66 Cb 0.84 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1nin h MET 66 CO 1.30 -0.51 1.41 0.43 1.06 0.00 0.00 176.91 180.60 1nin n SER 67 N -4.63 2.57 -4.52 1.22 7.64 -1.26 -4.84 113.62 109.80 1nin n SER 67 Ca -0.09 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1nin n SER 67 Cb 0.35 -1.35 0.20 0.00 -1.01 0.00 0.00 64.21 62.40 1nin n SER 67 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1nin s PRO 68 N 6.04 -0.15 0.00 1.43 0.04 -1.26 -4.18 135.00 136.92 1nin s PRO 68 Ca 1.06 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1nin s PRO 68 Cb -0.70 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1nin s PRO 68 CO 0.46 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1nin n GLY 69 N -0.71 2.10 1.74 0.56 0.00 0.77 -4.96 105.19 104.68 1nin n GLY 69 Ca 0.06 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1nin n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nin n GLN 70 N 0.00 0.00 -4.16 1.61 1.13 -1.26 -4.38 117.38 110.32 1nin n GLN 70 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 1nin n GLN 70 Cb 0.00 -0.80 -0.14 0.00 0.11 0.00 0.00 30.24 29.41 1nin n GLN 70 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1nin s SER 71 N 3.26 4.29 0.02 1.08 0.15 -1.26 -1.17 113.70 120.07 1nin s SER 71 Ca 0.64 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 57.03 1nin s SER 71 Cb -0.80 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1nin s SER 71 CO 0.35 0.05 -0.22 0.28 1.20 0.00 0.00 173.24 174.89 1nin s THR 72 N 1.08 2.43 -0.00 6.45 -1.32 -0.23 -4.94 115.64 119.11 1nin s THR 72 Ca 0.01 -1.20 -0.22 0.00 -1.21 0.00 0.00 61.69 59.06 1nin s THR 72 Cb -0.15 -1.95 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 1nin s THR 72 CO -0.01 0.42 0.67 -0.94 -2.21 0.00 0.00 174.62 172.55 1nin s SER 73 N -1.13 7.05 -0.61 8.08 1.04 -1.26 -0.41 113.70 126.46 1nin s SER 73 Ca 0.12 1.25 0.05 0.00 0.48 0.00 0.00 55.95 57.86 1nin s SER 73 Cb -0.10 -2.40 0.30 0.00 0.10 0.00 0.00 66.02 63.91 1nin s SER 73 CO 0.02 0.03 0.87 1.07 0.98 0.00 0.00 173.24 176.22 1nin n THR 74 N 2.95 2.82 -3.08 2.02 5.66 0.20 -4.95 114.28 119.90 1nin n THR 74 Ca -0.04 -5.44 -0.37 0.00 -3.05 0.00 0.00 64.05 55.15 1nin n THR 74 Cb 0.51 -1.71 -0.06 0.00 -1.55 0.00 0.00 70.33 67.51 1nin n THR 74 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1nin s THR 75 N -3.60 4.53 -0.53 1.09 -1.32 -1.26 -4.34 115.64 110.21 1nin s THR 75 Ca 0.45 1.39 -0.04 0.00 -1.21 0.00 0.00 61.69 62.28 1nin s THR 75 Cb 0.22 -3.94 0.14 0.00 -1.51 0.00 0.00 72.50 67.41 1nin s THR 75 CO -0.08 0.32 0.35 -0.36 -2.21 0.00 0.00 174.62 172.64 1nin s PHE 76 N -1.39 3.50 0.00 9.09 0.40 -0.23 -4.99 117.98 124.36 1nin s PHE 76 Ca 0.40 -2.44 -0.00 0.00 -0.60 0.00 0.00 56.93 54.29 1nin s PHE 76 Cb -0.19 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.06 1nin s PHE 76 CO 0.22 -0.92 0.00 -0.35 0.70 0.00 0.00 175.22 174.87 1nin n PRO 77 N 4.14 -0.15 0.00 0.24 -0.04 -1.26 -4.26 135.00 133.67 1nin n PRO 77 Ca 0.02 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1nin n PRO 77 Cb 0.40 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 -3.00 0.00 -0.79 0.55 0.00 -1.26 0.43 120.51 116.44 1nin n ALA 78 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1nin n ALA 78 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1nin n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nin n ASP 79 N -1.54 6.15 -4.04 0.00 2.03 -1.26 -4.73 116.55 113.15 1nin n ASP 79 Ca 0.00 -2.97 -0.40 0.00 0.52 0.00 0.00 54.79 51.94 1nin n ASP 79 Cb 0.00 -1.04 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nin n ALA 80 N 0.43 4.44 -0.67 -1.67 0.00 0.17 -5.07 120.51 118.13 1nin n ALA 80 Ca 0.27 -4.71 -0.31 0.00 0.00 0.00 0.00 53.44 48.69 1nin n ALA 80 Cb 0.60 -2.02 0.28 0.00 0.00 0.00 0.00 19.45 18.31 1nin n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nin s PRO 81 N -2.01 -2.51 0.49 0.00 0.04 -1.26 -4.62 135.00 125.14 1nin s PRO 81 Ca 0.31 -0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.36 1nin s PRO 81 Cb -0.01 -1.45 0.02 0.00 0.04 0.00 0.00 34.50 33.11 1nin s PRO 81 CO -0.02 -4.55 0.47 0.00 0.04 0.00 0.00 177.00 172.93 1nin s ALA 82 N -2.59 4.33 0.00 8.56 0.00 -1.26 -4.76 121.76 126.04 1nin s ALA 82 Ca 0.70 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1nin s ALA 82 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1nin s ALA 82 CO 0.56 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1nin n GLY 83 N -1.76 0.62 3.23 0.00 0.00 -0.37 -4.70 105.19 102.20 1nin n GLY 83 Ca 0.04 -2.32 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.62 2.47 0.28 1.61 2.12 -1.26 0.22 118.70 123.52 1nin s GLU 84 Ca 0.00 -1.55 -0.12 0.00 0.36 0.00 0.00 54.97 53.66 1nin s GLU 84 Cb 0.00 -3.72 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 1nin s GLU 84 CO 0.00 -0.99 0.64 0.71 -0.54 0.00 0.00 175.26 175.08 1nin s TYR 85 N 1.35 3.40 -0.10 5.30 1.51 -0.09 -4.76 117.35 123.96 1nin s TYR 85 Ca 0.04 1.02 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1nin s TYR 85 Cb -0.23 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1nin s TYR 85 CO 0.00 0.18 -0.11 0.99 -1.11 0.00 0.00 175.55 175.50 1nin s THR 86 N -1.92 3.31 -0.28 -0.71 2.01 -1.25 -1.38 115.64 115.42 1nin s THR 86 Ca 0.50 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1nin s THR 86 Cb -0.11 -2.37 0.07 0.00 0.01 0.00 0.00 72.50 70.10 1nin s THR 86 CO 0.20 0.55 -0.06 0.72 -0.69 0.00 0.00 174.62 175.34 1nin s PHE 87 N -0.16 3.36 0.37 4.92 -0.71 -0.00 -2.97 117.98 122.79 1nin s PHE 87 Ca 0.00 -2.39 0.08 0.00 -1.04 0.00 0.00 56.93 53.58 1nin s PHE 87 Cb -0.13 -2.14 -0.03 0.00 -1.21 0.00 0.00 43.02 39.50 1nin s PHE 87 CO 0.03 -0.88 0.28 1.52 -1.34 0.00 0.00 175.22 174.83 1nin s TYR 88 N 1.09 2.79 0.25 3.49 -0.85 -1.26 -0.58 117.35 122.27 1nin s TYR 88 Ca -0.05 -0.39 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 1nin s TYR 88 Cb -0.20 -1.89 -0.03 0.00 0.38 0.00 0.00 41.96 40.22 1nin s TYR 88 CO -0.05 0.12 0.29 0.00 -1.52 0.00 0.00 175.55 174.40 1nin h GLU 90 N 1.30 -0.25 -1.68 0.00 4.81 -1.04 -3.36 114.58 114.35 1nin h GLU 90 Ca -0.50 0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.05 1nin h GLU 90 Cb 1.23 0.06 -0.33 0.00 0.63 0.00 0.00 28.75 30.34 1nin h GLU 90 CO 0.61 0.01 0.38 -0.35 -0.73 0.00 0.00 179.01 178.93 1nin n PRO 91 N -4.94 3.01 -4.19 0.92 -0.04 -1.26 -4.50 135.00 124.01 1nin n PRO 91 Ca -0.05 -3.85 -0.14 0.00 -0.04 0.00 0.00 63.50 59.42 1nin n PRO 91 Cb 0.19 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.30 1nin n PRO 91 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1nin s HIS 92 N -3.86 1.24 0.00 0.54 3.76 0.49 -4.84 115.29 112.63 1nin s HIS 92 Ca 0.52 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 1nin s HIS 92 Cb 0.43 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.67 1nin s HIS 92 CO -0.28 -0.82 0.00 -2.13 -0.85 0.00 0.00 174.74 170.66 1nin n ARG 93 N -0.43 0.00 0.00 1.40 3.00 -1.26 0.56 116.66 119.93 1nin n ARG 93 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1nin n ARG 93 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.84 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nin n GLY 94 N -0.58 1.60 0.00 5.14 0.00 -1.26 -4.95 105.19 105.14 1nin n GLY 94 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -2.84 4.61 0.00 0.09 -5.07 120.51 117.30 1nin n ALA 95 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1nin n ALA 95 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 4.84 4.05 0.00 0.00 0.00 0.19 0.19 105.19 114.46 1nin n GLY 96 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1nin n GLY 96 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nin n MET 97 N -0.10 0.00 -3.80 1.61 3.85 0.71 -0.77 117.12 118.61 1nin n MET 97 Ca 0.25 0.00 -0.36 0.00 -1.00 0.00 0.00 57.70 56.60 1nin n MET 97 Cb 0.64 0.00 -0.10 0.00 -1.05 0.00 0.00 33.22 32.71 1nin n MET 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1nin s VAL 98 N 0.00 5.06 0.15 3.17 -7.23 -1.26 -0.16 120.40 120.13 1nin s VAL 98 Ca 0.00 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.34 1nin s VAL 98 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1nin s VAL 98 CO 0.00 0.40 -0.22 -0.83 -0.31 0.00 0.00 175.10 174.14 1nin s GLY 99 N 0.76 1.46 -0.10 2.32 0.00 0.25 -4.97 107.32 107.04 1nin s GLY 99 Ca 0.06 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1nin s GLY 99 CO 0.02 -1.48 -0.19 0.54 0.00 0.00 0.00 173.10 171.99 1nin s LYS 100 N -2.41 2.51 -0.20 2.90 -0.14 0.54 -0.82 119.74 122.12 1nin s LYS 100 Ca 0.14 -0.68 -0.03 0.00 -1.36 0.00 0.00 55.97 54.04 1nin s LYS 100 Cb -0.08 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1nin s LYS 100 CO 0.07 0.06 -0.05 -1.50 -0.76 0.00 0.00 175.35 173.16 1nin s ILE 101 N 0.64 3.43 -0.55 2.17 2.07 -0.48 -0.57 121.20 127.90 1nin s ILE 101 Ca -0.13 -0.49 -0.17 0.00 -1.41 0.00 0.00 60.65 58.45 1nin s ILE 101 Cb -0.16 -2.53 0.11 0.00 0.13 0.00 0.00 42.46 40.01 1nin s ILE 101 CO 0.04 0.45 0.58 -0.89 -1.91 0.00 0.00 174.94 173.20 1nin s THR 102 N 1.13 5.04 0.15 4.00 2.01 0.80 -0.92 115.64 127.85 1nin s THR 102 Ca 0.02 -1.23 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 1nin s THR 102 Cb -0.15 -4.38 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 1nin s THR 102 CO -0.01 -0.95 0.96 -0.69 -0.69 0.00 0.00 174.62 173.25 1nin s VAL 103 N 2.07 4.35 0.00 3.82 1.01 0.13 -0.71 120.40 131.07 1nin s VAL 103 Ca 0.07 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1nin s VAL 103 Cb -0.27 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1nin s VAL 103 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 175.10 175.51 1nin n ALA 104 N 2.41 0.00 -0.65 5.51 0.00 -0.03 -1.24 120.51 126.50 1nin n ALA 104 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1nin n ALA 104 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91