#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 -3.84 2.62 -1.04 -1.26 -4.02 114.28 106.74 1nin n THR 2 Ca 0.00 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.05 61.33 1nin n THR 2 Cb 0.00 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 67.73 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 5.48 3.26 -0.99 -1.42 2.02 -1.25 -4.83 117.35 119.62 1nin s TYR 3 Ca 0.27 0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.87 1nin s TYR 3 Cb 0.01 -2.17 0.16 0.00 -0.40 0.00 0.00 41.96 39.55 1nin s TYR 3 CO 0.08 0.06 1.14 0.99 -1.57 0.00 0.00 175.55 176.25 1nin s THR 4 N 0.79 4.98 0.75 -0.71 2.01 -1.26 0.10 115.64 122.29 1nin s THR 4 Ca 0.05 -2.02 -0.11 0.00 0.31 0.00 0.00 61.69 59.92 1nin s THR 4 Cb -0.13 -4.76 0.04 0.00 0.01 0.00 0.00 72.50 67.66 1nin s THR 4 CO 0.02 -1.45 1.09 -0.69 -0.69 0.00 0.00 174.62 172.90 1nin s VAL 5 N 1.91 3.42 0.28 3.82 1.01 0.52 -4.83 120.40 126.52 1nin s VAL 5 Ca 0.33 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1nin s VAL 5 Cb -0.05 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1nin s VAL 5 CO -0.07 -0.58 -0.07 -0.54 0.00 0.00 0.00 175.10 173.85 1nin s LYS 6 N -4.81 1.56 -0.51 2.72 1.02 -1.26 -0.75 119.74 117.71 1nin s LYS 6 Ca 0.61 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.84 1nin s LYS 6 Cb -0.17 -1.19 0.13 0.00 -0.52 0.00 0.00 37.83 36.08 1nin s LYS 6 CO 0.54 0.05 0.27 -0.51 -0.92 0.00 0.00 175.35 174.78 1nin s LEU 7 N -3.45 4.66 0.00 3.17 1.43 0.14 -4.13 118.68 120.50 1nin s LEU 7 Ca 0.29 -2.79 0.00 0.00 -1.03 0.00 0.00 54.13 50.61 1nin s LEU 7 Cb 0.03 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1nin s LEU 7 CO 0.12 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1nin n GLY 8 N 3.46 2.58 3.13 -3.19 0.00 -0.21 -1.08 105.19 109.89 1nin n GLY 8 Ca 0.05 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 5.06 0.00 1.61 3.41 0.25 -4.64 113.62 119.31 1nin n SER 9 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1nin n SER 9 Cb 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.41 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 4.94 0.00 -0.37 4.04 2.03 -1.26 -0.48 116.55 125.44 1nin n ASP 10 Ca 0.40 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.75 1nin n ASP 10 Cb 0.39 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.62 0.00 -0.67 5.02 -1.26 -4.96 118.16 116.91 1nin n LYS 11 Ca 0.00 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1nin n LYS 11 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.46 0.13 3.39 0.72 0.00 0.36 -5.16 105.19 105.09 1nin n GLY 12 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1nin n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nin n LEU 13 N -1.96 0.00 -2.77 0.99 -0.00 -1.25 -5.00 117.00 107.00 1nin n LEU 13 Ca 0.00 -3.21 -0.33 0.00 -0.00 0.00 0.00 56.01 52.47 1nin n LEU 13 Cb 0.00 1.25 -0.01 0.00 -0.00 0.00 0.00 43.42 44.66 1nin n LEU 13 CO 0.00 -0.51 1.61 0.18 -0.00 0.00 0.00 177.39 178.67 1nin n LEU 14 N 0.00 7.02 -4.97 -1.96 4.77 -1.26 -0.58 117.00 120.02 1nin n LEU 14 Ca -0.02 -4.48 -0.22 0.00 -0.03 0.00 0.00 56.01 51.26 1nin n LEU 14 Cb 0.62 -1.17 0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1nin n LEU 14 CO 0.33 1.78 0.44 0.54 -1.33 0.00 0.00 177.39 179.14 1nin s VAL 15 N -3.40 2.53 0.37 4.08 0.11 -1.26 -4.46 120.40 118.37 1nin s VAL 15 Ca 0.55 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 1nin s VAL 15 Cb 0.39 -2.96 -0.06 0.00 -1.53 0.00 0.00 36.38 32.22 1nin s VAL 15 CO -0.29 0.00 0.05 -0.36 -3.33 0.00 0.00 175.10 171.17 1nin s PHE 16 N -2.90 2.55 0.48 1.54 0.08 -1.26 -1.04 117.98 117.43 1nin s PHE 16 Ca 0.59 -0.53 0.08 0.00 0.12 0.00 0.00 56.93 57.19 1nin s PHE 16 Cb -0.10 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1nin s PHE 16 CO 0.40 0.40 0.58 -1.83 -0.10 0.00 0.00 175.22 174.67 1nin s GLU 17 N -3.76 2.53 0.00 0.44 -1.05 -1.26 -3.70 118.70 111.90 1nin s GLU 17 Ca 0.36 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 1nin s GLU 17 Cb 0.03 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.16 1nin s GLU 17 CO 0.20 -0.48 0.00 -0.35 0.95 0.00 0.00 175.26 175.58 1nin n PRO 18 N -1.90 0.00 0.00 -4.83 -0.04 -1.26 -4.37 135.00 122.60 1nin n PRO 18 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1nin n PRO 18 Cb 0.61 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 1.17 0.00 -3.20 0.55 0.00 -1.24 -4.22 120.51 113.57 1nin n ALA 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1nin n ALA 19 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1nin n ALA 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 20 N 0.00 3.22 -1.59 0.00 5.02 -1.26 -1.26 118.16 122.29 1nin n LYS 20 Ca 0.00 -4.69 -0.50 0.00 -2.02 0.00 0.00 58.31 51.10 1nin n LYS 20 Cb 0.00 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 32.64 1nin n LYS 20 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1nin n LEU 21 N 0.67 2.80 -4.32 -0.35 0.00 -1.26 -4.19 117.00 110.35 1nin n LEU 21 Ca 0.30 0.68 -0.43 0.00 0.00 0.00 0.00 56.01 56.56 1nin n LEU 21 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.48 1nin n LEU 21 CO 0.46 -0.43 1.89 0.41 0.00 0.00 0.00 177.39 179.73 1nin n THR 22 N 6.18 4.03 -1.00 1.96 -1.04 -1.26 -0.42 114.28 122.74 1nin n THR 22 Ca 0.31 -4.19 -0.30 0.00 -2.04 0.00 0.00 64.05 57.84 1nin n THR 22 Cb 0.27 -2.43 0.23 0.00 -1.82 0.00 0.00 70.33 66.58 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 2.68 1.71 0.19 12.58 -5.25 -1.19 -4.56 121.20 127.36 1nin s ILE 23 Ca 0.47 0.00 0.07 0.00 -0.99 0.00 0.00 60.65 60.20 1nin s ILE 23 Cb 0.04 -2.42 -0.04 0.00 2.95 0.00 0.00 42.46 42.99 1nin s ILE 23 CO 0.02 0.00 0.08 -1.59 -1.79 0.00 0.00 174.94 171.66 1nin s LYS 24 N -5.18 2.66 0.00 0.37 0.00 -1.26 0.23 119.74 116.56 1nin s LYS 24 Ca 0.69 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 55.62 1nin s LYS 24 Cb -0.14 -2.48 0.00 0.00 0.00 0.00 0.00 37.83 35.21 1nin s LYS 24 CO 0.57 0.45 0.39 -0.35 0.00 0.00 0.00 175.35 176.41 1nin n PRO 25 N -0.45 0.00 0.00 1.78 -0.04 -1.26 -4.00 135.00 131.03 1nin n PRO 25 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1nin n PRO 25 Cb 0.56 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 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 2.87 0.74 2.12 0.55 0.00 -1.24 -4.54 105.19 105.69 1nin n GLY 26 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1nin n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nin n ASP 27 N 0.00 1.26 -2.79 1.61 5.68 -1.23 -4.62 116.55 116.45 1nin n ASP 27 Ca 0.00 -2.37 -0.35 0.00 -0.50 0.00 0.00 54.79 51.58 1nin n ASP 27 Cb 0.00 0.62 0.02 0.00 -1.14 0.00 0.00 41.12 40.62 1nin n ASP 27 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1nin n THR 28 N -0.59 3.24 -1.80 2.12 -1.04 -1.26 -0.67 114.28 114.28 1nin n THR 28 Ca -0.04 -4.66 -0.42 0.00 -2.04 0.00 0.00 64.05 56.89 1nin n THR 28 Cb 0.39 -1.27 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 1nin n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nin s VAL 29 N -5.20 2.98 -0.13 12.58 1.01 -1.26 -3.81 120.40 126.57 1nin s VAL 29 Ca 0.50 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.66 1nin s VAL 29 Cb 0.41 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1nin s VAL 29 CO -0.31 -0.01 0.13 -1.61 0.00 0.00 0.00 175.10 173.30 1nin s GLU 30 N 3.43 3.53 -0.38 2.72 0.41 0.12 -1.07 118.70 127.47 1nin s GLU 30 Ca 0.80 -0.16 -0.02 0.00 -0.41 0.00 0.00 54.97 55.18 1nin s GLU 30 Cb -0.41 -3.21 0.09 0.00 -1.78 0.00 0.00 34.13 28.82 1nin s GLU 30 CO 0.36 0.70 0.14 -0.06 -0.49 0.00 0.00 175.26 175.91 1nin s PHE 31 N -0.81 3.52 -0.07 1.61 0.40 -0.06 0.19 117.98 122.76 1nin s PHE 31 Ca 0.14 -2.31 -0.10 0.00 -0.60 0.00 0.00 56.93 54.06 1nin s PHE 31 Cb -0.12 -2.91 -0.05 0.00 0.51 0.00 0.00 43.02 40.45 1nin s PHE 31 CO 0.03 -0.92 0.24 -1.17 0.70 0.00 0.00 175.22 174.10 1nin s LEU 32 N 1.15 4.42 -0.02 -0.37 0.20 0.07 -1.16 118.68 122.97 1nin s LEU 32 Ca 0.05 0.66 -0.17 0.00 0.69 0.00 0.00 54.13 55.36 1nin s LEU 32 Cb -0.22 -2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 43.21 1nin s LEU 32 CO -0.04 0.37 0.49 0.54 -0.29 0.00 0.00 176.35 177.43 1nin s ASN 33 N -1.07 6.85 -0.57 3.68 2.20 -0.78 0.23 114.94 125.49 1nin s ASN 33 Ca 0.19 1.02 0.06 0.00 -0.94 0.00 0.00 52.86 53.19 1nin s ASN 33 Cb -0.14 -2.30 0.24 0.00 -2.00 0.00 0.00 41.25 37.05 1nin s ASN 33 CO 0.08 0.19 0.65 -3.20 -2.94 0.00 0.00 177.10 171.89 1nin n ASN 34 N 2.43 2.60 0.00 3.54 5.15 -0.24 -3.60 115.26 125.14 1nin n ASN 34 Ca -0.10 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 1nin n ASN 34 Cb 0.52 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1nin n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1nin n LYS 35 N 1.14 0.00 -1.88 1.20 5.02 -1.26 -4.38 118.16 118.00 1nin n LYS 35 Ca 0.27 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1nin n LYS 35 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 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 0.00 -0.38 -1.77 -0.18 0.31 -1.26 -4.92 118.33 110.13 1nin n VAL 36 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1nin n VAL 36 Cb 0.00 -0.35 0.12 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.33 -0.66 -3.45 5.55 -0.04 -1.26 -4.78 135.00 130.03 1nin n PRO 37 Ca -0.02 -1.43 -0.33 0.00 -0.04 0.00 0.00 63.50 61.68 1nin n PRO 37 Cb 0.07 -0.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.77 3.81 -0.88 0.54 0.04 -1.26 -5.04 135.00 127.45 1nin s PRO 38 Ca 0.48 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1nin s PRO 38 Cb -0.02 -2.76 0.25 0.00 0.04 0.00 0.00 34.50 32.02 1nin s PRO 38 CO 0.34 0.39 0.95 0.72 0.04 0.00 0.00 177.00 179.43 1nin n HIS 39 N 0.17 3.60 -3.19 0.56 8.25 -1.23 -4.51 115.22 118.88 1nin n HIS 39 Ca -0.02 -3.76 -0.40 0.00 -0.26 0.00 0.00 57.72 53.28 1nin n HIS 39 Cb 0.52 -1.01 -0.06 0.00 1.12 0.00 0.00 29.99 30.55 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 -1.17 6.61 -0.19 0.41 2.47 -1.26 -4.72 114.94 117.09 1nin s ASN 40 Ca 0.32 0.74 -0.08 0.00 0.42 0.00 0.00 52.86 54.26 1nin s ASN 40 Cb 0.02 -2.32 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1nin s ASN 40 CO -0.04 -0.22 0.08 0.68 -3.72 0.00 0.00 177.10 173.88 1nin s VAL 41 N 1.77 4.91 -0.02 -5.21 -7.23 -1.26 -2.45 120.40 110.90 1nin s VAL 41 Ca 0.26 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.46 1nin s VAL 41 Cb -0.16 -3.23 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 1nin s VAL 41 CO 0.10 0.44 -0.03 0.68 -0.31 0.00 0.00 175.10 175.98 1nin s VAL 42 N 0.51 3.94 0.54 1.32 -7.23 0.20 -0.61 120.40 119.08 1nin s VAL 42 Ca 0.04 -0.61 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1nin s VAL 42 Cb -0.12 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1nin s VAL 42 CO 0.01 0.43 0.86 -0.36 -0.31 0.00 0.00 175.10 175.72 1nin s PHE 43 N -1.00 3.47 0.27 2.82 0.40 -1.26 -0.39 117.98 122.29 1nin s PHE 43 Ca 0.17 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.34 1nin s PHE 43 Cb -0.11 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1nin s PHE 43 CO 0.07 -0.52 0.44 0.34 0.70 0.00 0.00 175.22 176.26 1nin s ASP 44 N -4.18 6.34 -0.06 1.36 -1.08 0.55 -4.73 116.67 114.86 1nin s ASP 44 Ca 0.51 0.34 0.19 0.00 -0.52 0.00 0.00 52.55 53.06 1nin s ASP 44 Cb -0.10 -1.98 -0.28 0.00 -1.46 0.00 0.00 42.92 39.09 1nin s ASP 44 CO 0.46 -0.14 0.34 0.00 0.52 0.00 0.00 175.17 176.35 1nin n ALA 45 N -1.27 2.44 -0.08 3.66 0.00 -1.26 -4.34 120.51 119.65 1nin n ALA 45 Ca -0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 1nin n ALA 45 Cb 0.55 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.30 1.61 -1.45 0.00 0.00 -1.26 -3.65 120.51 113.45 1nin n ALA 46 Ca -0.10 -0.96 -0.36 0.00 0.00 0.00 0.00 53.44 52.02 1nin n ALA 46 Cb 0.65 -0.04 0.07 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.72 7.66 -4.66 0.00 4.77 -1.26 -4.78 117.00 116.01 1nin n LEU 47 Ca -0.28 -4.40 -0.29 0.00 -0.03 0.00 0.00 56.01 51.01 1nin n LEU 47 Cb 0.96 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1nin n LEU 47 CO 0.29 1.53 -0.28 0.54 -1.33 0.00 0.00 177.39 178.14 1nin s ASN 48 N -1.62 3.93 0.00 -1.43 2.20 -1.25 -3.17 114.94 113.59 1nin s ASN 48 Ca 0.62 -1.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.08 1nin s ASN 48 Cb 0.49 -0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.63 1nin s ASN 48 CO -0.10 -0.58 0.55 -0.81 -2.94 0.00 0.00 177.10 173.22 1nin n PRO 49 N -1.06 0.00 -1.87 3.55 -0.04 0.25 -3.36 135.00 132.47 1nin n PRO 49 Ca -0.09 0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 1nin n PRO 49 Cb 0.67 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 33.07 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 -0.99 6.48 -1.78 0.55 0.00 -1.26 -4.91 120.51 118.60 1nin n ALA 50 Ca 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1nin n ALA 50 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 0.43 -0.60 -1.48 0.00 4.01 -1.21 -4.85 118.16 114.45 1nin n LYS 51 Ca 0.52 -0.14 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 1nin n LYS 51 Cb 0.36 0.25 0.00 0.00 -0.51 0.00 0.00 35.03 35.13 1nin n LYS 51 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1nin n SER 52 N 0.34 1.48 -0.05 4.39 2.88 -1.24 -4.86 113.62 116.56 1nin n SER 52 Ca 0.00 -0.85 -0.11 0.00 -1.33 0.00 0.00 58.87 56.58 1nin n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 2.22 -0.40 -1.46 0.00 -1.26 -4.56 120.51 112.04 1nin n ALA 53 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1nin n ALA 53 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -3.60 0.00 0.03 0.00 5.75 -1.26 -0.40 116.55 117.06 1nin n ASP 54 Ca -0.19 0.17 -0.13 0.00 -0.01 0.00 0.00 54.79 54.63 1nin n ASP 54 Cb 0.57 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.57 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nin h LEU 55 N 0.00 -0.05 -0.66 -2.12 5.85 -1.98 -0.56 115.31 115.79 1nin h LEU 55 Ca 0.00 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1nin h LEU 55 Cb 0.00 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.94 1nin h LEU 55 CO 0.00 0.29 -0.25 0.00 -0.34 0.00 0.00 178.44 178.14 1nin n ALA 56 N -2.30 -0.06 -0.06 1.25 0.00 -0.96 -0.13 120.51 118.26 1nin n ALA 56 Ca -0.08 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1nin n ALA 56 Cb 0.19 -0.31 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.01 -0.68 0.00 3.11 -0.73 -3.18 116.57 115.08 1nin h LYS 57 Ca 0.24 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 58.17 1nin h LYS 57 Cb 0.40 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.53 1nin h LYS 57 CO -0.66 0.86 -0.31 0.45 -2.81 0.00 0.00 179.45 176.98 1nin n SER 58 N -4.65 -0.54 -0.21 4.20 2.88 0.81 0.14 113.62 116.26 1nin n SER 58 Ca -0.09 1.19 -0.01 0.00 -1.33 0.00 0.00 58.87 58.63 1nin n SER 58 Cb 0.42 -0.23 0.10 0.00 -0.75 0.00 0.00 64.21 63.75 1nin n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1nin h LEU 59 N 0.00 0.38 -9.39 2.46 3.38 -0.79 -3.44 115.31 107.91 1nin h LEU 59 Ca 0.19 0.05 -0.64 0.00 0.09 0.00 0.00 57.88 57.58 1nin h LEU 59 Cb 0.36 -0.01 0.07 0.00 0.09 0.00 0.00 40.66 41.18 1nin h LEU 59 CO -0.66 0.23 0.43 -1.54 0.09 0.00 0.00 178.44 176.99 1nin n SER 60 N -4.90 1.87 -4.97 -0.43 3.41 0.12 -4.58 113.62 104.14 1nin n SER 60 Ca 0.08 1.13 -0.22 0.00 -0.26 0.00 0.00 58.87 59.61 1nin n SER 60 Cb 0.22 -1.27 0.04 0.00 -0.26 0.00 0.00 64.21 62.94 1nin n SER 60 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nin s HIS 61 N 0.08 2.85 0.00 7.33 2.46 0.22 -4.79 115.29 123.44 1nin s HIS 61 Ca 0.75 0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1nin s HIS 61 Cb -0.81 -2.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 1nin s HIS 61 CO 0.49 -0.94 0.00 1.63 -2.47 0.00 0.00 174.74 173.45 1nin n LYS 62 N -2.41 0.00 0.00 2.88 5.02 -1.26 -4.59 118.16 117.80 1nin n LYS 62 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1nin n LYS 62 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1nin n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nin n GLN 63 N 0.00 0.00 -4.89 1.97 3.00 -1.26 -5.06 117.38 111.14 1nin n GLN 63 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1nin n GLN 63 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.10 1nin n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nin s LEU 64 N -3.55 2.37 -0.68 1.08 1.43 -1.26 -4.50 118.68 113.57 1nin s LEU 64 Ca 0.00 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1nin s LEU 64 Cb 0.00 -1.41 0.17 0.00 0.03 0.00 0.00 46.19 44.98 1nin s LEU 64 CO 0.00 0.28 0.50 -0.22 0.23 0.00 0.00 176.35 177.14 1nin s LEU 65 N -1.13 5.17 -0.69 1.79 2.96 -1.26 -4.81 118.68 120.71 1nin s LEU 65 Ca 0.12 -3.17 -0.04 0.00 -0.22 0.00 0.00 54.13 50.83 1nin s LEU 65 Cb -0.10 -1.82 0.13 0.00 0.50 0.00 0.00 46.19 44.89 1nin s LEU 65 CO 0.02 -0.28 2.54 0.23 -1.32 0.00 0.00 176.35 177.54 1nin n MET 66 N 3.04 2.97 -3.10 1.98 2.81 -1.26 -3.54 117.12 120.03 1nin n MET 66 Ca 0.12 -2.83 -0.35 0.00 -1.81 0.00 0.00 57.70 52.82 1nin n MET 66 Cb 0.37 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 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 0.74 5.38 -4.42 7.83 7.64 -1.26 -5.04 113.62 124.49 1nin n SER 67 Ca 0.52 -3.50 -0.11 0.00 1.01 0.00 0.00 58.87 56.79 1nin n SER 67 Cb 0.44 -0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.78 0.15 0.00 1.43 -0.04 -1.26 -0.94 135.00 135.12 1nin n PRO 68 Ca 0.31 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1nin n PRO 68 Cb 0.36 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 5.78 1.16 3.88 0.55 0.00 -1.24 -5.09 105.19 110.24 1nin n GLY 69 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.67 2.39 0.24 1.61 1.11 -0.12 -4.74 119.66 119.48 1nin s GLN 70 Ca 0.00 -1.74 0.10 0.00 0.01 0.00 0.00 55.36 53.73 1nin s GLN 70 Cb 0.00 -2.26 -0.04 0.00 -1.01 0.00 0.00 33.01 29.69 1nin s GLN 70 CO 0.00 -0.37 -0.06 0.45 0.01 0.00 0.00 175.29 175.32 1nin s SER 71 N -4.19 4.32 -0.00 5.90 0.15 -1.26 -1.86 113.70 116.76 1nin s SER 71 Ca 0.44 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1nin s SER 71 Cb -0.02 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 1nin s SER 71 CO 0.26 0.04 -0.12 0.28 1.20 0.00 0.00 173.24 174.90 1nin s THR 72 N -2.16 3.26 -0.07 6.45 -1.32 -0.31 -4.89 115.64 116.60 1nin s THR 72 Ca 0.29 -0.86 -0.16 0.00 -1.21 0.00 0.00 61.69 59.75 1nin s THR 72 Cb -0.07 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1nin s THR 72 CO 0.18 0.44 0.43 -0.55 -2.21 0.00 0.00 174.62 172.90 1nin s SER 73 N -1.22 6.71 -0.37 8.08 0.15 -1.26 -0.88 113.70 124.90 1nin s SER 73 Ca 0.15 0.84 0.06 0.00 0.70 0.00 0.00 55.95 57.70 1nin s SER 73 Cb -0.11 -2.26 0.51 0.00 -1.71 0.00 0.00 66.02 62.45 1nin s SER 73 CO 0.05 0.15 1.57 0.41 1.20 0.00 0.00 173.24 176.62 1nin n THR 74 N 2.87 2.81 -1.51 6.45 -1.04 -0.23 -4.99 114.28 118.64 1nin n THR 74 Ca -0.11 -2.96 -0.47 0.00 -2.04 0.00 0.00 64.05 58.48 1nin n THR 74 Cb 0.52 -0.63 -0.05 0.00 -1.82 0.00 0.00 70.33 68.35 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 -1.02 0.23 -3.17 12.58 -1.04 -1.26 -4.40 114.28 116.20 1nin n THR 75 Ca 0.43 -0.37 -0.45 0.00 -2.04 0.00 0.00 64.05 61.63 1nin n THR 75 Cb 1.04 -2.05 -0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 8.04 3.90 0.07 -1.42 0.08 0.16 -4.97 117.98 123.84 1nin s PHE 76 Ca 1.06 -2.39 0.02 0.00 0.12 0.00 0.00 56.93 55.75 1nin s PHE 76 Cb -0.62 -4.04 0.21 0.00 -0.57 0.00 0.00 43.02 38.00 1nin s PHE 76 CO 0.42 -1.15 0.33 -2.30 -0.10 0.00 0.00 175.22 172.42 1nin n PRO 77 N 4.07 -0.02 0.00 0.24 -0.01 -1.26 -3.55 135.00 134.47 1nin n PRO 77 Ca 0.28 0.30 0.00 0.00 -0.01 0.00 0.00 63.50 64.08 1nin n PRO 77 Cb 0.41 -0.51 0.00 0.00 -0.01 0.00 0.00 33.50 33.40 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1nin n ALA 78 N -3.27 0.00 -0.00 3.55 0.00 -1.26 -4.93 120.51 114.60 1nin n ALA 78 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1nin n ALA 78 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 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 0.00 0.80 -2.20 0.00 5.75 -1.26 -4.99 116.55 114.65 1nin n ASP 79 Ca 0.00 0.12 -0.07 0.00 -0.01 0.00 0.00 54.79 54.83 1nin n ASP 79 Cb 0.00 -0.36 -0.08 0.00 -1.03 0.00 0.00 41.12 39.65 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 -3.26 0.46 -3.34 2.12 0.00 -1.26 -4.92 120.51 110.30 1nin n ALA 80 Ca -0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 52.96 1nin n ALA 80 Cb 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 2.62 1.34 -3.86 0.00 -0.04 -1.26 -3.61 135.00 130.19 1nin n PRO 81 Ca 0.22 -0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 1nin n PRO 81 Cb 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.60 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 82 N -3.00 -1.59 0.00 0.55 0.00 0.50 -4.68 120.51 112.30 1nin n ALA 82 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1nin n ALA 82 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.37 0.00 3.22 0.00 0.00 -1.20 -4.66 105.19 101.18 1nin n GLY 83 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 0.61 -3.97 1.61 0.00 -1.26 -2.84 120.64 114.70 1nin n GLU 84 Ca 0.00 -1.19 -0.27 0.00 0.00 0.00 0.00 57.16 55.70 1nin n GLU 84 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 31.44 28.88 1nin n GLU 84 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1nin s TYR 85 N 5.76 3.42 -0.06 4.31 1.51 -1.11 -0.59 117.35 130.60 1nin s TYR 85 Ca 0.51 0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.66 1nin s TYR 85 Cb 0.12 -1.66 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1nin s TYR 85 CO 0.19 0.53 0.13 0.99 -1.11 0.00 0.00 175.55 176.28 1nin s THR 86 N -1.68 -0.10 -0.17 -0.71 2.01 -1.19 -3.62 115.64 110.18 1nin s THR 86 Ca 0.34 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1nin s THR 86 Cb -0.11 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1nin s THR 86 CO 0.27 0.10 -0.19 0.72 -0.69 0.00 0.00 174.62 174.83 1nin s PHE 87 N 1.45 2.77 0.00 4.92 -0.71 0.31 -0.33 117.98 126.39 1nin s PHE 87 Ca -0.06 -1.53 0.04 0.00 -1.04 0.00 0.00 56.93 54.34 1nin s PHE 87 Cb -0.12 -1.91 -0.03 0.00 -1.21 0.00 0.00 43.02 39.75 1nin s PHE 87 CO -0.05 -0.74 -0.09 1.52 -1.34 0.00 0.00 175.22 174.51 1nin s TYR 88 N 1.18 2.82 -1.31 3.49 1.13 0.48 -0.25 117.35 124.89 1nin s TYR 88 Ca 0.02 -0.08 -0.17 0.00 -1.41 0.00 0.00 57.07 55.43 1nin s TYR 88 Cb -0.14 -1.59 0.07 0.00 -1.10 0.00 0.00 41.96 39.21 1nin s TYR 88 CO -0.10 0.34 1.77 0.00 -2.51 0.00 0.00 175.55 175.05 1nin n GLU 90 N 7.96 0.00 0.02 0.00 0.00 -1.03 0.02 120.64 127.61 1nin n GLU 90 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.70 1nin n GLU 90 Cb 0.45 0.00 0.23 0.00 0.00 0.00 0.00 31.44 32.12 1nin n GLU 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1nin n PRO 91 N -0.32 0.02 -0.04 5.31 -0.04 -1.26 -2.37 135.00 136.30 1nin n PRO 91 Ca 0.00 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1nin n PRO 91 Cb 0.00 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.87 1nin n PRO 91 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1nin n HIS 92 N -1.59 0.00 0.00 0.54 8.25 0.10 -5.01 115.22 117.51 1nin n HIS 92 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1nin n HIS 92 Cb 0.11 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.71 0.00 -0.20 -0.41 0.63 0.51 -0.24 116.66 114.23 1nin n ARG 93 Ca -0.15 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1nin n ARG 93 Cb 0.67 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.60 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 0.00 -1.07 1.08 5.14 0.00 -1.26 -1.11 105.19 107.96 1nin n GLY 94 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.73 3.78 0.11 4.61 0.00 -1.04 -4.81 120.51 119.43 1nin n ALA 95 Ca 0.06 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1nin n ALA 95 Cb 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.88 -0.30 3.25 0.00 0.00 0.66 -5.06 105.19 102.86 1nin n GLY 96 Ca 0.29 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1nin n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nin s MET 97 N -2.00 0.21 -0.08 1.61 0.00 -0.73 -4.45 119.30 113.86 1nin s MET 97 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 55.69 56.19 1nin s MET 97 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.09 1nin s MET 97 CO 0.00 -0.14 -0.23 0.14 0.00 0.00 0.00 175.02 174.79 1nin s VAL 98 N 2.62 2.22 0.15 5.16 -7.23 -1.26 -1.48 120.40 120.57 1nin s VAL 98 Ca -0.01 -0.99 0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1nin s VAL 98 Cb -0.07 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1nin s VAL 98 CO -0.14 0.56 -0.25 -0.83 -0.31 0.00 0.00 175.10 174.13 1nin s GLY 99 N 0.03 1.59 -0.52 2.32 0.00 0.65 -4.92 107.32 106.47 1nin s GLY 99 Ca -0.09 -1.51 0.07 0.00 0.00 0.00 0.00 44.72 43.19 1nin s GLY 99 CO 0.06 -1.51 0.67 1.17 0.00 0.00 0.00 173.10 173.48 1nin n LYS 100 N 0.67 1.75 -1.63 2.90 4.81 -0.39 -0.53 118.16 125.73 1nin n LYS 100 Ca -0.16 -4.02 -0.54 0.00 -0.87 0.00 0.00 58.31 52.72 1nin n LYS 100 Cb 0.54 -1.80 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 1nin n LYS 100 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1nin n ILE 101 N 0.96 0.11 -3.66 3.15 3.06 -1.24 -4.22 119.36 117.52 1nin n ILE 101 Ca 0.26 -0.02 -0.38 0.00 -2.50 0.00 0.00 62.75 60.11 1nin n ILE 101 Cb 0.47 -0.94 -0.09 0.00 0.54 0.00 0.00 39.64 39.63 1nin n ILE 101 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1nin s THR 102 N 1.62 3.97 0.32 9.51 2.01 0.44 -2.75 115.64 130.76 1nin s THR 102 Ca 0.90 -2.83 -0.28 0.00 0.31 0.00 0.00 61.69 59.79 1nin s THR 102 Cb -1.01 -3.57 -0.13 0.00 0.01 0.00 0.00 72.50 67.80 1nin s THR 102 CO 0.54 -0.89 1.10 0.52 -0.69 0.00 0.00 174.62 175.21 1nin n VAL 103 N 3.63 2.03 -2.15 3.82 0.31 -1.13 -3.15 118.33 121.69 1nin n VAL 103 Ca 0.08 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 1nin n VAL 103 Cb 0.39 -1.20 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.21 6.43 0.00 3.52 0.00 0.13 -3.24 120.51 127.57 1nin n ALA 104 Ca 0.08 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1nin n ALA 104 Cb 0.34 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91