#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 -2.65 2.62 -1.04 -1.25 -4.10 114.28 107.87 1nin n THR 2 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 1nin n THR 2 Cb 0.00 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 67.58 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 7.30 2.79 -0.46 -1.42 2.02 -1.26 -4.60 117.35 121.72 1nin s TYR 3 Ca 0.36 -1.34 -0.33 0.00 -0.37 0.00 0.00 57.07 55.39 1nin s TYR 3 Cb -0.00 -4.64 -0.12 0.00 -0.40 0.00 0.00 41.96 36.80 1nin s TYR 3 CO 0.10 -1.79 2.29 2.41 -1.57 0.00 0.00 175.55 177.00 1nin n THR 4 N 6.32 0.12 -4.13 -0.71 -1.04 -1.26 -3.81 114.28 109.76 1nin n THR 4 Ca 0.39 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 1nin n THR 4 Cb 0.48 -1.68 -0.07 0.00 -1.82 0.00 0.00 70.33 67.24 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nin s VAL 5 N 8.33 4.07 0.33 12.58 1.01 0.39 -4.96 120.40 142.16 1nin s VAL 5 Ca 1.11 -1.12 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1nin s VAL 5 Cb -0.80 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1nin s VAL 5 CO 0.45 0.00 -0.08 -0.54 0.00 0.00 0.00 175.10 174.93 1nin s LYS 6 N -2.68 1.87 -0.60 2.72 1.02 0.19 -0.25 119.74 122.02 1nin s LYS 6 Ca 0.28 -1.86 0.06 0.00 0.02 0.00 0.00 55.97 54.47 1nin s LYS 6 Cb -0.11 -1.77 0.28 0.00 -0.52 0.00 0.00 37.83 35.71 1nin s LYS 6 CO 0.20 0.17 0.80 1.47 -0.92 0.00 0.00 175.35 177.07 1nin n LEU 7 N -0.81 3.71 0.00 3.17 -0.00 -0.42 0.02 117.00 122.68 1nin n LEU 7 Ca -0.05 -5.47 0.00 0.00 -0.00 0.00 0.00 56.01 50.49 1nin n LEU 7 Cb 0.63 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1nin n LEU 7 CO 0.43 2.16 0.00 0.61 -0.00 0.00 0.00 177.39 180.59 1nin n GLY 8 N 0.52 3.95 2.59 1.47 0.00 0.27 -3.93 105.19 110.05 1nin n GLY 8 Ca 0.30 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 5.90 0.00 1.61 3.41 0.38 -4.56 113.62 120.35 1nin n SER 9 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1nin n SER 9 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1nin n SER 9 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nin n ASP 10 N -0.54 0.00 -1.50 4.04 8.00 -1.26 0.42 116.55 125.71 1nin n ASP 10 Ca 0.46 0.00 0.08 0.00 0.71 0.00 0.00 54.79 56.04 1nin n ASP 10 Cb 0.53 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.98 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nin n LYS 11 N 0.00 4.04 0.00 -1.24 4.81 -1.26 -4.73 118.16 119.78 1nin n LYS 11 Ca 0.00 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.47 1nin n LYS 11 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nin n GLY 12 N 0.42 0.38 3.13 3.14 0.00 0.17 -5.17 105.19 107.26 1nin n GLY 12 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.33 1.75 -1.25 0.99 1.43 -1.23 -5.00 118.68 115.04 1nin s LEU 13 Ca 0.00 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1nin s LEU 13 Cb 0.00 0.65 0.17 0.00 0.03 0.00 0.00 46.19 47.05 1nin s LEU 13 CO 0.00 -0.53 2.18 0.18 0.23 0.00 0.00 176.35 178.42 1nin n LEU 14 N 0.71 7.71 0.00 1.79 4.77 -1.26 -0.47 117.00 130.25 1nin n LEU 14 Ca -0.19 -4.98 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 1nin n LEU 14 Cb 0.59 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1nin n LEU 14 CO 0.23 1.98 0.00 1.33 -1.33 0.00 0.00 177.39 179.60 1nin n VAL 15 N 1.50 0.00 -3.93 4.08 0.24 -1.26 -4.62 118.33 114.33 1nin n VAL 15 Ca 0.56 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.51 1nin n VAL 15 Cb 0.26 -0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 32.16 1nin n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1nin s PHE 16 N 1.14 2.97 -0.45 6.34 0.08 -1.26 0.94 117.98 127.73 1nin s PHE 16 Ca 0.00 -0.87 -0.15 0.00 0.12 0.00 0.00 56.93 56.03 1nin s PHE 16 Cb 0.00 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 1nin s PHE 16 CO 0.00 -0.51 0.35 -1.21 -0.10 0.00 0.00 175.22 173.76 1nin s GLU 17 N 1.43 2.94 -0.79 0.44 2.02 0.10 0.53 118.70 125.37 1nin s GLU 17 Ca 0.05 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.76 1nin s GLU 17 Cb -0.14 -4.05 0.37 0.00 0.10 0.00 0.00 34.13 30.41 1nin s GLU 17 CO -0.02 -0.94 1.98 -0.35 0.02 0.00 0.00 175.26 175.94 1nin n PRO 18 N 5.16 2.78 0.00 0.39 -0.04 -1.26 -0.63 135.00 141.40 1nin n PRO 18 Ca -0.12 -3.53 0.00 0.00 -0.04 0.00 0.00 63.50 59.81 1nin n PRO 18 Cb 0.44 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.61 0.00 -3.61 0.55 0.00 0.19 -4.77 120.51 112.25 1nin n ALA 19 Ca 0.55 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 1nin n ALA 19 Cb 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.64 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 3.19 -0.04 0.00 0.00 -1.26 -0.78 119.74 120.86 1nin s LYS 20 Ca 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 55.97 55.29 1nin s LYS 20 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 37.83 35.13 1nin s LYS 20 CO 0.00 -0.07 -0.25 -1.17 0.00 0.00 0.00 175.35 173.86 1nin s LEU 21 N 1.04 2.05 -0.26 2.77 1.98 0.51 -5.02 118.68 121.76 1nin s LEU 21 Ca -0.01 -0.47 -0.04 0.00 -2.89 0.00 0.00 54.13 50.72 1nin s LEU 21 Cb -0.15 -1.30 0.01 0.00 0.66 0.00 0.00 46.19 45.41 1nin s LEU 21 CO -0.04 0.27 0.00 -0.89 -1.89 0.00 0.00 176.35 173.81 1nin s THR 22 N -0.37 3.48 0.38 3.68 2.01 -1.26 0.24 115.64 123.81 1nin s THR 22 Ca 0.03 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.41 1nin s THR 22 Cb -0.12 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1nin s THR 22 CO 0.01 0.23 0.35 0.27 -0.69 0.00 0.00 174.62 174.79 1nin s ILE 23 N 1.45 3.11 0.74 1.82 -4.36 0.13 -4.94 121.20 119.15 1nin s ILE 23 Ca 0.03 -1.34 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1nin s ILE 23 Cb -0.16 -3.09 0.08 0.00 1.25 0.00 0.00 42.46 40.54 1nin s ILE 23 CO -0.01 -0.09 1.06 -0.54 0.24 0.00 0.00 174.94 175.60 1nin s LYS 24 N -4.08 1.95 0.00 0.37 1.02 -1.26 -1.55 119.74 116.19 1nin s LYS 24 Ca 0.45 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.12 1nin s LYS 24 Cb -0.05 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1nin s LYS 24 CO 0.27 -1.43 0.24 -0.35 -0.92 0.00 0.00 175.35 173.17 1nin n PRO 25 N -3.04 0.00 0.00 -1.68 -0.04 -1.26 -3.50 135.00 125.48 1nin n PRO 25 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1nin n PRO 25 Cb 0.60 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 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 2.21 2.31 1.06 0.55 0.00 -1.26 -4.73 105.19 105.34 1nin n GLY 26 Ca 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 1.23 -6.16 -0.75 1.61 -0.08 -1.23 -3.85 116.55 107.32 1nin n ASP 27 Ca 0.00 0.47 0.03 0.00 -1.51 0.00 0.00 54.79 53.78 1nin n ASP 27 Cb 0.00 -3.37 0.21 0.00 2.34 0.00 0.00 41.12 40.30 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 -3.26 2.30 -1.55 5.18 -1.04 -1.26 -1.42 114.28 113.24 1nin n THR 28 Ca 0.00 -3.07 -0.45 0.00 -2.04 0.00 0.00 64.05 58.50 1nin n THR 28 Cb 0.62 -0.26 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 1nin n THR 28 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nin n VAL 29 N -1.13 2.00 -4.68 12.58 0.31 -1.22 -3.83 118.33 122.36 1nin n VAL 29 Ca 0.23 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.74 1nin n VAL 29 Cb 0.79 -0.79 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1nin n VAL 29 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1nin s GLU 30 N -1.48 2.49 -0.26 5.55 -6.30 -1.25 0.46 118.70 117.92 1nin s GLU 30 Ca 0.60 -0.72 -0.02 0.00 -2.50 0.00 0.00 54.97 52.33 1nin s GLU 30 Cb -0.73 -2.42 0.03 0.00 0.00 0.00 0.00 34.13 31.01 1nin s GLU 30 CO 0.59 0.61 -0.05 -0.06 0.02 0.00 0.00 175.26 176.37 1nin s PHE 31 N -0.86 3.09 -0.16 5.30 0.08 -0.13 -0.46 117.98 124.85 1nin s PHE 31 Ca 0.14 -1.56 -0.04 0.00 0.12 0.00 0.00 56.93 55.59 1nin s PHE 31 Cb -0.11 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1nin s PHE 31 CO 0.04 -0.73 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.24 1nin s LEU 32 N 1.33 3.33 1.39 -0.37 0.20 0.66 -1.03 118.68 124.19 1nin s LEU 32 Ca -0.00 -0.10 -0.22 0.00 0.69 0.00 0.00 54.13 54.49 1nin s LEU 32 Cb -0.17 -1.81 0.36 0.00 -0.43 0.00 0.00 46.19 44.13 1nin s LEU 32 CO -0.04 0.17 0.95 0.20 -0.29 0.00 0.00 176.35 177.34 1nin s ASN 33 N 0.39 -0.80 0.00 3.68 0.01 -0.42 -1.31 114.94 116.50 1nin s ASN 33 Ca -0.03 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1nin s ASN 33 Cb -0.14 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1nin s ASN 33 CO 0.02 -5.20 0.00 -0.46 -1.51 0.00 0.00 177.10 169.95 1nin n ASN 34 N -5.52 1.67 -1.96 -1.22 6.94 -1.25 -4.14 115.26 109.78 1nin n ASN 34 Ca 0.12 -0.62 -0.23 0.00 -0.02 0.00 0.00 54.58 53.83 1nin n ASN 34 Cb 0.60 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.14 1nin n ASN 34 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1nin n LYS 35 N 0.00 2.56 -3.05 -3.83 4.81 -1.26 -1.54 118.16 115.84 1nin n LYS 35 Ca 0.00 -3.38 -0.19 0.00 -0.87 0.00 0.00 58.31 53.87 1nin n LYS 35 Cb 0.00 -2.15 -0.03 0.00 0.02 0.00 0.00 35.03 32.87 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1nin n VAL 36 N -0.98 -0.47 -3.04 3.15 0.31 -1.26 -5.08 118.33 110.96 1nin n VAL 36 Ca 0.51 -3.19 -0.18 0.00 -0.01 0.00 0.00 64.34 61.47 1nin n VAL 36 Cb 1.03 -0.84 0.01 0.00 -0.91 0.00 0.00 33.84 33.13 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 -0.57 2.85 -0.14 5.55 0.04 -1.26 -4.80 135.00 136.68 1nin s PRO 37 Ca 0.34 -1.12 -0.07 0.00 0.04 0.00 0.00 61.00 60.18 1nin s PRO 37 Cb 0.19 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1nin s PRO 37 CO -0.16 -0.27 0.13 -1.25 0.04 0.00 0.00 177.00 175.50 1nin s PRO 38 N -4.38 3.59 -0.89 0.56 0.04 -1.26 -5.00 135.00 127.65 1nin s PRO 38 Ca 0.53 -0.16 -0.00 0.00 0.04 0.00 0.00 61.00 61.41 1nin s PRO 38 Cb -0.10 -3.22 0.28 0.00 0.04 0.00 0.00 34.50 31.49 1nin s PRO 38 CO 0.33 0.67 1.13 0.72 0.04 0.00 0.00 177.00 179.89 1nin n HIS 39 N 2.33 3.04 -2.58 0.56 8.25 0.16 -4.72 115.22 122.27 1nin n HIS 39 Ca -0.19 -3.36 -0.43 0.00 -0.26 0.00 0.00 57.72 53.48 1nin n HIS 39 Cb 0.54 -0.98 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 1nin n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nin s ASN 40 N -1.84 6.62 -0.09 0.41 3.04 -1.26 -4.67 114.94 117.15 1nin s ASN 40 Ca 0.34 0.55 -0.21 0.00 0.04 0.00 0.00 52.86 53.58 1nin s ASN 40 Cb 0.07 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.19 1nin s ASN 40 CO 0.04 -1.25 0.58 0.68 -3.04 0.00 0.00 177.10 174.11 1nin s VAL 41 N 4.50 5.11 -0.13 -5.21 -7.23 -1.26 -4.28 120.40 111.90 1nin s VAL 41 Ca 0.49 1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 61.80 1nin s VAL 41 Cb -0.08 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 1nin s VAL 41 CO 0.31 0.30 0.07 -0.69 -0.31 0.00 0.00 175.10 174.78 1nin s VAL 42 N 0.64 4.87 0.17 1.32 1.01 0.74 -0.85 120.40 128.30 1nin s VAL 42 Ca 0.31 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1nin s VAL 42 Cb -0.16 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1nin s VAL 42 CO 0.14 0.56 0.49 -0.36 0.00 0.00 0.00 175.10 175.93 1nin s PHE 43 N -0.46 3.50 0.52 5.22 0.40 -1.26 -0.52 117.98 125.38 1nin s PHE 43 Ca 0.10 0.84 0.01 0.00 -0.60 0.00 0.00 56.93 57.28 1nin s PHE 43 Cb -0.12 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.22 1nin s PHE 43 CO 0.02 0.38 0.74 0.34 0.70 0.00 0.00 175.22 177.40 1nin s ASP 44 N -2.11 5.44 -0.01 1.36 2.15 -0.48 -4.62 116.67 118.40 1nin s ASP 44 Ca 0.41 0.07 0.16 0.00 0.43 0.00 0.00 52.55 53.62 1nin s ASP 44 Cb -0.13 -1.06 -0.21 0.00 -0.30 0.00 0.00 42.92 41.22 1nin s ASP 44 CO 0.21 -1.01 0.52 0.00 -0.17 0.00 0.00 175.17 174.72 1nin n ALA 45 N -2.26 3.34 -0.08 3.66 0.00 -1.26 -4.51 120.51 119.41 1nin n ALA 45 Ca 0.06 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1nin n ALA 45 Cb 0.59 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.72 1.97 -1.88 0.00 0.00 -1.26 -3.76 120.51 113.86 1nin n ALA 46 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.45 1nin n ALA 46 Cb 0.34 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.61 7.86 -3.62 0.00 4.32 -1.26 -4.87 117.00 115.81 1nin n LEU 47 Ca -0.30 -4.74 -0.12 0.00 -0.02 0.00 0.00 56.01 50.83 1nin n LEU 47 Cb 0.72 -1.35 -0.07 0.00 -1.62 0.00 0.00 43.42 41.10 1nin n LEU 47 CO 0.03 2.02 0.59 0.21 -1.22 0.00 0.00 177.39 179.02 1nin s ASN 48 N 0.48 -0.58 0.30 -1.43 2.47 -1.25 -0.99 114.94 113.95 1nin s ASN 48 Ca 0.56 1.06 0.07 0.00 0.42 0.00 0.00 52.86 54.96 1nin s ASN 48 Cb 0.21 1.05 0.78 0.00 -1.45 0.00 0.00 41.25 41.85 1nin s ASN 48 CO -0.11 -0.24 1.74 1.55 -3.72 0.00 0.00 177.10 176.32 1nin h PRO 49 N 4.31 0.60 -2.92 0.43 0.13 -1.88 -1.89 132.00 130.78 1nin h PRO 49 Ca -0.28 -0.04 -0.81 0.00 -0.87 0.00 0.00 66.00 64.01 1nin h PRO 49 Cb 1.17 -0.13 -0.28 0.00 0.13 0.00 0.00 31.00 31.88 1nin h PRO 49 CO 0.12 0.40 0.79 0.00 -0.23 0.00 0.00 178.00 179.07 1nin n ALA 50 N -2.35 5.19 -0.03 -0.56 0.00 -1.26 -4.89 120.51 116.61 1nin n ALA 50 Ca 0.24 -4.81 -0.00 0.00 0.00 0.00 0.00 53.44 48.87 1nin n ALA 50 Cb 0.65 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 1nin n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 51 N 1.31 0.05 0.00 0.00 -0.00 -0.71 -4.48 118.16 114.33 1nin n LYS 51 Ca 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1nin n LYS 51 Cb 0.33 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 1nin n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1nin n SER 52 N 2.14 0.00 0.02 -5.58 7.64 -1.25 -4.63 113.62 111.97 1nin n SER 52 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.87 1nin n SER 52 Cb 0.03 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nin n ALA 53 N -3.00 2.62 0.00 -0.43 0.00 -1.26 -4.40 120.51 114.04 1nin n ALA 53 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1nin n ALA 53 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.67 0.00 -0.09 0.00 5.68 -1.26 -0.52 116.55 116.68 1nin n ASP 54 Ca -0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.14 1nin n ASP 54 Cb 0.09 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.03 1nin n ASP 54 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1nin n LEU 55 N -1.73 1.89 -0.14 -2.12 -0.00 -1.26 -3.76 117.00 109.89 1nin n LEU 55 Ca 0.00 0.45 0.10 0.00 -0.00 0.00 0.00 56.01 56.56 1nin n LEU 55 Cb 0.00 -0.83 0.19 0.00 -0.00 0.00 0.00 43.42 42.78 1nin n LEU 55 CO 0.00 -0.15 0.39 0.00 -0.00 0.00 0.00 177.39 177.63 1nin n ALA 56 N -4.02 0.33 -0.11 1.96 0.00 -0.98 -0.81 120.51 116.88 1nin n ALA 56 Ca -0.20 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 1nin n ALA 56 Cb 0.51 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 -4.15 0.64 0.00 0.00 4.76 0.32 -4.23 118.16 115.50 1nin n LYS 57 Ca 0.13 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1nin n LYS 57 Cb 0.43 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1nin n LYS 57 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1nin n SER 58 N -3.64 0.06 -0.04 4.39 7.64 0.01 -0.77 113.62 121.27 1nin n SER 58 Ca -0.46 -0.30 -0.10 0.00 1.01 0.00 0.00 58.87 59.02 1nin n SER 58 Cb 0.95 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 1nin n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1nin n LEU 59 N -0.10 1.14 0.00 -3.43 0.00 -1.02 -5.01 117.00 108.58 1nin n LEU 59 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 56.01 56.20 1nin n LEU 59 Cb 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.00 1nin n LEU 59 CO 0.00 -0.05 0.00 -1.54 0.00 0.00 0.00 177.39 175.80 1nin n SER 60 N -3.72 0.00 0.00 1.96 3.41 0.05 -4.97 113.62 110.35 1nin n SER 60 Ca -0.18 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1nin n SER 60 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.61 0.00 0.00 7.33 8.25 -0.03 -4.89 115.22 124.27 1nin n HIS 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nin n HIS 61 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nin n LYS 62 N 0.00 0.00 -2.18 -0.41 5.02 -1.26 -4.45 118.16 114.88 1nin n LYS 62 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nin n LYS 62 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1nin n LYS 62 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1nin n GLN 63 N -0.69 0.94 -2.64 1.97 7.27 -1.26 -4.75 117.38 118.22 1nin n GLN 63 Ca 0.00 -2.29 -0.08 0.00 0.07 0.00 0.00 57.00 54.70 1nin n GLN 63 Cb 0.00 -0.47 0.04 0.00 2.41 0.00 0.00 30.24 32.22 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 -0.40 2.32 -4.27 1.69 -0.00 -1.26 -4.92 117.00 110.16 1nin n LEU 64 Ca -0.03 -3.63 -0.42 0.00 -0.00 0.00 0.00 56.01 51.92 1nin n LEU 64 Cb 0.90 0.26 -0.02 0.00 -0.00 0.00 0.00 43.42 44.57 1nin n LEU 64 CO -0.04 1.42 0.67 -0.11 -0.00 0.00 0.00 177.39 179.34 1nin n LEU 65 N -0.48 5.17 -3.16 1.47 7.94 -1.26 -4.86 117.00 121.83 1nin n LEU 65 Ca 0.16 -5.07 -0.37 0.00 -1.11 0.00 0.00 56.01 49.62 1nin n LEU 65 Cb 0.82 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1nin n LEU 65 CO 0.19 1.42 1.73 0.80 -1.11 0.00 0.00 177.39 180.41 1nin n MET 66 N 2.54 3.88 -2.77 1.96 0.00 -1.26 -0.66 117.12 120.80 1nin n MET 66 Ca 0.23 -3.57 -0.41 0.00 -0.00 0.00 0.00 57.70 53.96 1nin n MET 66 Cb 0.38 -2.38 0.01 0.00 0.00 0.00 0.00 33.22 31.23 1nin n MET 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1nin n SER 67 N 0.44 6.92 -3.60 6.12 7.64 -1.26 -5.00 113.62 124.89 1nin n SER 67 Ca 0.53 -3.61 -0.25 0.00 1.01 0.00 0.00 58.87 56.55 1nin n SER 67 Cb 0.31 -1.17 -0.07 0.00 -1.01 0.00 0.00 64.21 62.28 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 0.35 0.00 0.00 1.43 -0.04 -1.26 -0.93 135.00 134.55 1nin n PRO 68 Ca 0.40 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1nin n PRO 68 Cb 0.29 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 4.33 1.39 3.78 0.55 0.00 -0.59 -4.65 105.19 110.00 1nin n GLY 69 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 2.82 0.39 1.61 0.74 -0.11 -4.59 119.66 120.32 1nin s GLN 70 Ca 0.00 -0.92 0.08 0.00 0.05 0.00 0.00 55.36 54.56 1nin s GLN 70 Cb 0.00 -2.59 -0.08 0.00 1.10 0.00 0.00 33.01 31.44 1nin s GLN 70 CO 0.00 0.47 -0.01 -1.54 -0.55 0.00 0.00 175.29 173.66 1nin s SER 71 N -3.14 3.87 -0.14 6.67 1.04 -1.26 -1.29 113.70 119.45 1nin s SER 71 Ca 0.31 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1nin s SER 71 Cb -0.10 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1nin s SER 71 CO 0.23 -0.39 -0.18 0.28 0.98 0.00 0.00 173.24 174.16 1nin s THR 72 N -2.68 2.47 -1.21 2.02 -1.32 -0.20 -4.93 115.64 109.80 1nin s THR 72 Ca 0.35 -0.84 -0.16 0.00 -1.21 0.00 0.00 61.69 59.82 1nin s THR 72 Cb 0.08 -2.02 0.13 0.00 -1.51 0.00 0.00 72.50 69.17 1nin s THR 72 CO 0.18 0.53 1.51 -0.44 -2.21 0.00 0.00 174.62 174.19 1nin s SER 73 N 0.72 6.92 -1.02 8.08 0.01 -1.26 -0.95 113.70 126.19 1nin s SER 73 Ca -0.08 -2.64 -0.22 0.00 1.31 0.00 0.00 55.95 54.32 1nin s SER 73 Cb -0.16 -2.47 -0.11 0.00 0.21 0.00 0.00 66.02 63.49 1nin s SER 73 CO 0.01 -0.96 1.92 0.41 0.41 0.00 0.00 173.24 175.03 1nin n THR 74 N 5.43 1.91 -3.48 1.44 -1.04 0.17 -4.90 114.28 113.81 1nin n THR 74 Ca 0.40 -1.88 -0.34 0.00 -2.04 0.00 0.00 64.05 60.18 1nin n THR 74 Cb 0.45 -2.23 -0.05 0.00 -1.82 0.00 0.00 70.33 66.68 1nin n THR 74 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nin s THR 75 N 8.62 4.99 -0.02 12.58 -1.32 -1.26 -3.38 115.64 135.85 1nin s THR 75 Ca 0.64 0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 61.66 1nin s THR 75 Cb 0.05 -3.67 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1nin s THR 75 CO 0.13 0.22 0.17 -0.36 -2.21 0.00 0.00 174.62 172.57 1nin s PHE 76 N -1.48 3.53 0.00 9.09 0.40 -0.51 -4.98 117.98 124.03 1nin s PHE 76 Ca 0.37 0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1nin s PHE 76 Cb -0.14 -1.83 -0.08 0.00 0.51 0.00 0.00 43.02 41.48 1nin s PHE 76 CO 0.19 0.65 1.43 -0.35 0.70 0.00 0.00 175.22 177.84 1nin n PRO 77 N 1.09 0.64 -2.56 0.24 -0.04 -1.26 -4.63 135.00 128.49 1nin n PRO 77 Ca -0.12 -0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 62.99 1nin n PRO 77 Cb 0.53 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 2.62 -0.92 -0.05 0.55 0.00 -1.26 -4.77 120.51 116.68 1nin n ALA 78 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 1nin n ALA 78 Cb 0.30 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1nin n ALA 78 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 79 N -1.67 1.21 0.00 0.00 5.75 -1.26 -5.02 116.55 115.57 1nin n ASP 79 Ca -0.05 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1nin n ASP 79 Cb 0.54 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1nin n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nin n ALA 80 N -3.72 0.00 -0.60 2.12 0.00 -1.26 -4.92 120.51 112.13 1nin n ALA 80 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1nin n ALA 80 Cb 0.31 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.96 1nin n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nin n PRO 81 N 0.00 -1.54 -1.48 0.00 -0.04 -1.26 -4.03 135.00 126.65 1nin n PRO 81 Ca 0.00 -0.41 -0.31 0.00 -0.04 0.00 0.00 63.50 62.74 1nin n PRO 81 Cb 0.00 -2.12 0.07 0.00 -0.04 0.00 0.00 33.50 31.40 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 -2.45 2.49 0.00 0.55 0.00 -1.26 -4.59 121.76 116.50 1nin s ALA 82 Ca 0.65 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1nin s ALA 82 Cb -0.22 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1nin s ALA 82 CO 0.64 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1nin n GLY 83 N -1.79 0.56 3.48 0.00 0.00 -0.42 -4.84 105.19 102.18 1nin n GLY 83 Ca 0.08 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.21 2.93 -0.31 1.61 2.12 -1.26 -0.21 118.70 123.36 1nin s GLU 84 Ca 0.00 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.69 1nin s GLU 84 Cb 0.00 -2.56 0.06 0.00 0.26 0.00 0.00 34.13 31.89 1nin s GLU 84 CO 0.00 0.48 -0.00 0.71 -0.54 0.00 0.00 175.26 175.91 1nin s TYR 85 N -0.34 3.35 0.04 5.30 2.02 0.22 -3.56 117.35 124.38 1nin s TYR 85 Ca 0.04 -2.15 -0.16 0.00 -0.37 0.00 0.00 57.07 54.42 1nin s TYR 85 Cb -0.13 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 1nin s TYR 85 CO 0.02 -0.85 0.48 0.99 -1.57 0.00 0.00 175.55 174.62 1nin s THR 86 N 1.17 4.91 -0.14 -0.71 2.01 -0.16 -2.24 115.64 120.48 1nin s THR 86 Ca -0.03 0.97 0.02 0.00 0.31 0.00 0.00 61.69 62.95 1nin s THR 86 Cb -0.20 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1nin s THR 86 CO -0.03 0.54 -0.19 0.72 -0.69 0.00 0.00 174.62 174.97 1nin s PHE 87 N -1.13 2.71 0.12 4.92 -0.71 0.84 -1.38 117.98 123.36 1nin s PHE 87 Ca 0.27 -1.12 0.07 0.00 -1.04 0.00 0.00 56.93 55.12 1nin s PHE 87 Cb -0.18 -1.83 -0.04 0.00 -1.21 0.00 0.00 43.02 39.76 1nin s PHE 87 CO 0.16 -0.49 -0.09 1.52 -1.34 0.00 0.00 175.22 174.97 1nin s TYR 88 N 0.70 2.73 -0.55 3.49 1.13 0.32 0.37 117.35 125.54 1nin s TYR 88 Ca -0.09 -0.17 0.03 0.00 -1.41 0.00 0.00 57.07 55.43 1nin s TYR 88 Cb -0.16 -1.40 0.41 0.00 -1.10 0.00 0.00 41.96 39.71 1nin s TYR 88 CO 0.01 0.45 1.46 0.00 -2.51 0.00 0.00 175.55 174.96 1nin n GLU 90 N -0.58 0.00 -0.24 0.00 -0.58 -1.26 0.12 120.64 118.10 1nin n GLU 90 Ca 0.46 0.00 0.32 0.00 -0.42 0.00 0.00 57.16 57.52 1nin n GLU 90 Cb 0.60 0.00 0.71 0.00 -0.57 0.00 0.00 31.44 32.17 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1nin h PRO 91 N 0.00 0.00 -0.73 3.49 0.13 -1.92 0.17 132.00 133.14 1nin h PRO 91 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1nin h PRO 91 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 1nin h PRO 91 CO 0.00 0.00 0.12 1.58 -0.23 0.00 0.00 178.00 179.47 1nin n HIS 92 N -3.91 2.41 -0.76 1.56 -0.00 0.12 -4.86 115.22 109.78 1nin n HIS 92 Ca 0.22 -2.22 -0.06 0.00 -0.00 0.00 0.00 57.72 55.66 1nin n HIS 92 Cb 1.21 -0.81 -0.08 0.00 -0.00 0.00 0.00 29.99 30.31 1nin n HIS 92 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1nin n ARG 93 N -0.97 1.51 0.08 1.57 1.85 0.59 -3.82 116.66 117.46 1nin n ARG 93 Ca 0.48 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1nin n ARG 93 Cb 1.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.91 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nin n GLY 94 N 1.94 -0.12 2.72 2.89 0.00 -1.26 -4.85 105.19 106.50 1nin n GLY 94 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.43 5.89 -1.69 4.61 0.00 -1.25 -4.83 120.51 119.82 1nin n ALA 95 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1nin n ALA 95 Cb 0.04 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 2.65 0.00 2.59 0.00 0.00 -1.26 -4.41 105.19 104.76 1nin n GLY 96 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 1nin n GLY 96 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nin n MET 97 N -0.62 3.40 -3.57 1.61 0.00 -1.26 -4.73 117.12 111.95 1nin n MET 97 Ca 0.00 -2.67 -0.31 0.00 -0.00 0.00 0.00 57.70 54.72 1nin n MET 97 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 33.22 30.12 1nin n MET 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nin n VAL 98 N 4.05 2.58 -1.07 1.12 0.31 -1.26 -1.46 118.33 122.61 1nin n VAL 98 Ca 0.60 -5.17 -0.31 0.00 -0.01 0.00 0.00 64.34 59.45 1nin n VAL 98 Cb 0.32 -2.18 0.12 0.00 -0.91 0.00 0.00 33.84 31.19 1nin n VAL 98 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1nin s GLY 99 N -1.64 1.67 -0.10 2.92 0.00 0.16 -4.69 107.32 105.64 1nin s GLY 99 Ca 0.32 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 1nin s GLY 99 CO -0.07 0.73 0.02 0.54 0.00 0.00 0.00 173.10 174.31 1nin s LYS 100 N -4.82 0.50 -0.18 2.90 1.02 0.04 -0.11 119.74 119.09 1nin s LYS 100 Ca 0.63 0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.62 1nin s LYS 100 Cb -0.19 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1nin s LYS 100 CO 0.57 -0.39 -0.04 -1.50 -0.92 0.00 0.00 175.35 173.07 1nin s ILE 101 N 1.99 3.67 -0.07 2.17 2.07 -0.95 -0.36 121.20 129.72 1nin s ILE 101 Ca 0.04 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1nin s ILE 101 Cb -0.13 -2.63 -0.03 0.00 0.13 0.00 0.00 42.46 39.80 1nin s ILE 101 CO -0.06 0.46 -0.09 0.42 -1.91 0.00 0.00 174.94 173.76 1nin s THR 102 N 0.82 3.49 -0.11 4.00 -4.23 0.14 -0.61 115.64 119.15 1nin s THR 102 Ca -0.01 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1nin s THR 102 Cb -0.15 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 1nin s THR 102 CO 0.02 0.59 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.88 1nin s VAL 103 N -0.68 3.28 0.00 2.29 1.01 0.70 0.18 120.40 127.19 1nin s VAL 103 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1nin s VAL 103 Cb -0.11 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1nin s VAL 103 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.66 1nin n ALA 104 N 3.04 2.59 -1.24 5.51 0.00 -0.59 -1.30 120.51 128.51 1nin n ALA 104 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nin n ALA 104 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91