#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wie n SER 2 N 0.00 -7.50 -0.07 1.61 2.88 -1.26 -4.97 113.62 104.31 1wie n SER 2 Ca 0.00 0.80 -0.11 0.00 -1.33 0.00 0.00 58.87 58.23 1wie n SER 2 Cb 0.00 -4.37 -0.08 0.00 -0.75 0.00 0.00 64.21 59.01 1wie n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wie h SER 3 N 2.68 0.00 0.00 -3.46 0.87 -2.03 -3.51 113.55 108.10 1wie h SER 3 Ca -0.07 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1wie h SER 3 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wie h SER 3 CO 0.13 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 177.97 1wie n GLY 4 N 1.63 -0.94 5.00 5.77 0.00 -1.26 -4.99 105.19 110.40 1wie n GLY 4 Ca -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1wie n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wie n SER 5 N 0.00 0.00 -1.02 1.61 7.64 -1.26 -4.88 113.62 115.70 1wie n SER 5 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1wie n SER 5 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1wie n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wie n SER 6 N 2.36 -5.54 0.06 6.43 7.64 -1.26 -5.05 113.62 118.25 1wie n SER 6 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wie n SER 6 Cb 0.00 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 1wie n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wie n GLY 7 N -3.60 -0.99 3.54 0.23 0.00 -1.26 -5.15 105.19 97.95 1wie n GLY 7 Ca -0.07 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1wie n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wie s THR 8 N -2.00 0.00 -0.52 2.61 -1.32 -1.26 -5.10 115.64 108.05 1wie s THR 8 Ca 0.00 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.16 1wie s THR 8 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1wie s THR 8 CO 0.00 0.00 2.36 -1.20 -2.21 0.00 0.00 174.62 173.57 1wie n SER 9 N 0.79 1.80 -0.01 8.08 7.64 -1.26 -4.81 113.62 125.85 1wie n SER 9 Ca -0.15 0.11 -0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wie n SER 9 Cb 0.58 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wie n SER 9 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wie h LYS 10 N 14.29 0.00 -4.79 1.43 1.57 -2.03 -3.48 116.57 123.56 1wie h LYS 10 Ca -0.22 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.15 1wie h LYS 10 Cb 1.30 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.32 1wie h LYS 10 CO 1.14 0.00 -0.79 -0.65 -0.57 0.00 0.00 179.45 178.58 1wie s GLN 11 N -1.13 0.83 -0.51 3.15 -1.52 -1.26 -5.03 119.66 114.19 1wie s GLN 11 Ca -0.01 -0.35 -0.02 0.00 -1.95 0.00 0.00 55.36 53.04 1wie s GLN 11 Cb 0.00 -0.79 0.25 0.00 -0.22 0.00 0.00 33.01 32.25 1wie s GLN 11 CO 0.01 0.20 2.21 0.54 -0.25 0.00 0.00 175.29 178.00 1wie n ARG 12 N 2.90 2.29 -2.67 2.91 1.74 -1.26 -3.54 116.66 119.03 1wie n ARG 12 Ca -0.14 -2.43 -0.05 0.00 -0.77 0.00 0.00 57.85 54.46 1wie n ARG 12 Cb 0.56 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1wie n ARG 12 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1wie n TYR 13 N 0.05 -1.18 0.00 -1.55 4.19 -1.26 -4.83 117.16 112.58 1wie n TYR 13 Ca 0.46 -1.17 0.00 0.00 3.31 0.00 0.00 57.90 60.50 1wie n TYR 13 Cb 0.55 1.34 0.00 0.00 0.49 0.00 0.00 39.34 41.72 1wie n TYR 13 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1wie n SER 14 N -0.53 0.00 -4.53 2.98 2.88 -1.26 -5.12 113.62 108.05 1wie n SER 14 Ca -0.18 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.08 1wie n SER 14 Cb 0.72 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.42 1wie n SER 14 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wie s GLY 15 N 0.00 1.55 0.72 0.46 0.00 -1.23 -4.90 107.32 103.92 1wie s GLY 15 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 1wie s GLY 15 CO 0.00 0.53 -0.42 0.28 0.00 0.00 0.00 173.10 173.49 1wie n LYS 16 N -4.77 0.00 -4.39 2.90 5.02 -1.26 -3.87 118.16 111.79 1wie n LYS 16 Ca 0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 1wie n LYS 16 Cb 0.55 -1.01 -0.12 0.00 -0.02 0.00 0.00 35.03 34.43 1wie n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wie s VAL 17 N -2.00 2.46 -0.01 -0.18 0.11 -1.26 0.06 120.40 119.58 1wie s VAL 17 Ca 0.50 -1.91 0.08 0.00 -2.93 0.00 0.00 61.98 57.71 1wie s VAL 17 Cb -0.36 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1wie s VAL 17 CO 0.73 -0.07 -0.25 -1.00 -3.33 0.00 0.00 175.10 171.19 1wie s HIS 18 N -1.54 2.24 -0.30 1.54 0.09 0.96 -4.92 115.29 113.37 1wie s HIS 18 Ca 0.20 -0.42 -0.14 0.00 -0.00 0.00 0.00 55.06 54.70 1wie s HIS 18 Cb -0.09 -1.43 -0.03 0.00 -0.00 0.00 0.00 32.58 31.03 1wie s HIS 18 CO 0.10 -0.02 0.31 -1.17 -0.00 0.00 0.00 174.74 173.95 1wie s LEU 19 N -0.64 4.17 0.26 0.89 2.96 -1.26 -0.07 118.68 124.99 1wie s LEU 19 Ca 0.10 0.01 0.11 0.00 -0.22 0.00 0.00 54.13 54.14 1wie s LEU 19 Cb -0.10 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1wie s LEU 19 CO -0.01 -0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 174.66 1wie s VAL 21 N -2.32 1.67 -0.26 0.00 0.11 0.15 -0.50 120.40 119.25 1wie s VAL 21 Ca 0.29 -1.39 -0.35 0.00 -2.93 0.00 0.00 61.98 57.59 1wie s VAL 21 Cb -0.06 -1.95 -0.16 0.00 -1.53 0.00 0.00 36.38 32.69 1wie s VAL 21 CO 0.15 -0.15 1.13 0.00 -3.33 0.00 0.00 175.10 172.89 1wie n ALA 22 N 4.60 -1.74 0.07 1.54 0.00 0.03 -1.20 120.51 123.81 1wie n ALA 22 Ca -0.11 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 1wie n ALA 22 Cb 0.43 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 1wie n ALA 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wie h ARG 23 N 3.42 0.00 -2.65 0.00 2.43 0.74 0.26 114.38 118.59 1wie h ARG 23 Ca -0.37 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.68 1wie h ARG 23 Cb 1.10 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.37 1wie h ARG 23 CO 0.69 0.64 -0.37 0.71 -1.51 0.00 0.00 179.97 180.13 1wie s TYR 24 N -2.81 -0.63 -0.34 2.20 2.02 -1.24 -4.75 117.35 111.80 1wie s TYR 24 Ca 0.00 1.30 -0.43 0.00 -0.37 0.00 0.00 57.07 57.57 1wie s TYR 24 Cb 0.09 0.23 -0.18 0.00 -0.40 0.00 0.00 41.96 41.69 1wie s TYR 24 CO 0.80 -0.39 1.63 -1.13 -1.57 0.00 0.00 175.55 174.88 1wie n SER 25 N 4.83 1.72 -4.27 2.29 3.41 -1.26 -4.34 113.62 116.00 1wie n SER 25 Ca -0.16 1.13 -0.21 0.00 -0.26 0.00 0.00 58.87 59.37 1wie n SER 25 Cb 0.52 -1.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.33 1wie n SER 25 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1wie s TYR 26 N 2.96 1.62 -0.18 7.33 6.14 0.50 -4.86 117.35 130.86 1wie s TYR 26 Ca 1.00 -0.46 -0.04 0.00 0.64 0.00 0.00 57.07 58.21 1wie s TYR 26 Cb -1.26 -0.86 0.09 0.00 0.42 0.00 0.00 41.96 40.35 1wie s TYR 26 CO 0.71 0.19 0.26 -0.80 0.64 0.00 0.00 175.55 176.56 1wie s ASN 27 N -2.15 0.80 0.21 4.32 -0.87 -1.26 -1.38 114.94 114.61 1wie s ASN 27 Ca 0.07 0.17 0.08 0.00 -1.57 0.00 0.00 52.86 51.61 1wie s ASN 27 Cb -0.08 0.62 0.14 0.00 -0.02 0.00 0.00 41.25 41.91 1wie s ASN 27 CO 0.04 -0.29 1.48 1.55 -2.57 0.00 0.00 177.10 177.32 1wie h PRO 28 N 8.28 0.04 -1.06 -0.60 0.13 -1.84 -3.11 132.00 133.84 1wie h PRO 28 Ca -0.16 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.74 1wie h PRO 28 Cb 1.14 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1wie h PRO 28 CO 0.22 0.78 0.25 1.19 -0.23 0.00 0.00 178.00 180.21 1wie n PHE 29 N -3.66 1.12 0.15 1.56 3.72 -1.26 -3.33 117.46 115.75 1wie n PHE 29 Ca -0.01 -1.06 0.04 0.00 -0.05 0.00 0.00 57.45 56.37 1wie n PHE 29 Cb 0.73 -0.53 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1wie n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wie n ASP 30 N -0.03 2.01 -3.54 4.37 9.92 -1.17 -5.04 116.55 123.08 1wie n ASP 30 Ca 0.22 -0.29 -0.16 0.00 -0.53 0.00 0.00 54.79 54.03 1wie n ASP 30 Cb 0.89 1.20 -0.01 0.00 -0.64 0.00 0.00 41.12 42.56 1wie n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wie n GLY 31 N 1.69 3.25 0.00 0.44 0.00 -1.21 -5.00 105.19 104.35 1wie n GLY 31 Ca -0.00 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1wie n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wie n PRO 32 N -1.02 0.70 -1.66 1.61 -0.04 -1.26 -4.86 135.00 128.46 1wie n PRO 32 Ca -0.05 0.01 -0.66 0.00 -0.04 0.00 0.00 63.50 62.76 1wie n PRO 32 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1wie n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wie n ASN 33 N -1.04 1.14 0.00 3.54 3.02 -1.26 -4.75 115.26 115.91 1wie n ASN 33 Ca 0.17 1.11 0.14 0.00 -0.03 0.00 0.00 54.58 55.97 1wie n ASN 33 Cb 0.09 -0.87 0.73 0.00 -0.61 0.00 0.00 39.78 39.12 1wie n ASN 33 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wie n GLU 34 N 4.38 0.43 -3.16 3.52 1.02 -1.26 -3.68 120.64 121.89 1wie n GLU 34 Ca 0.34 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.29 1wie n GLU 34 Cb -0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1wie n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wie n ASN 35 N -1.27 1.36 0.07 1.62 4.05 -1.26 -4.90 115.26 114.92 1wie n ASN 35 Ca 0.14 -3.10 -0.10 0.00 0.45 0.00 0.00 54.58 51.98 1wie n ASN 35 Cb 0.22 -0.61 0.01 0.00 1.23 0.00 0.00 39.78 40.63 1wie n ASN 35 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1wie h PRO 36 N 3.06 0.30 0.00 1.20 0.13 -1.81 -3.07 132.00 131.80 1wie h PRO 36 Ca 0.10 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1wie h PRO 36 Cb 0.89 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wie h PRO 36 CO 0.55 0.97 -0.09 1.05 -0.23 0.00 0.00 178.00 180.26 1wie h GLU 37 N 0.18 0.00 -0.26 0.86 4.11 -1.91 -2.18 114.58 115.39 1wie h GLU 37 Ca -0.05 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.42 1wie h GLU 37 Cb 1.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1wie h GLU 37 CO 0.13 0.09 0.07 0.00 0.07 0.00 0.00 179.01 179.37 1wie h ALA 38 N 1.91 0.28 -3.31 1.06 0.00 -1.89 -3.44 119.26 113.88 1wie h ALA 38 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1wie h ALA 38 Cb 0.17 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.03 1wie h ALA 38 CO 0.01 -0.35 0.10 0.39 0.00 0.00 0.00 179.25 179.41 1wie n GLU 39 N -5.06 -0.26 -4.23 0.00 1.02 -0.82 0.23 120.64 111.52 1wie n GLU 39 Ca -0.01 -0.55 -0.17 0.00 -0.02 0.00 0.00 57.16 56.41 1wie n GLU 39 Cb 0.10 -0.34 -0.14 0.00 -0.02 0.00 0.00 31.44 31.04 1wie n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wie s LEU 40 N 0.00 2.05 -0.85 -4.62 1.43 -0.33 -4.26 118.68 112.10 1wie s LEU 40 Ca 0.19 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 1wie s LEU 40 Cb -0.01 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.87 1wie s LEU 40 CO 0.13 0.05 1.64 -2.16 0.23 0.00 0.00 176.35 176.24 1wie s PRO 41 N -0.38 3.01 0.46 1.29 0.04 -1.26 -4.64 135.00 133.52 1wie s PRO 41 Ca 0.01 -0.35 -0.23 0.00 0.04 0.00 0.00 61.00 60.48 1wie s PRO 41 Cb -0.04 -4.83 -0.07 0.00 0.04 0.00 0.00 34.50 29.60 1wie s PRO 41 CO -0.00 -2.64 1.16 -0.51 0.04 0.00 0.00 177.00 175.05 1wie s LEU 42 N 7.43 4.00 -0.27 -3.56 1.43 -0.48 -4.80 118.68 122.43 1wie s LEU 42 Ca 0.55 2.29 -0.01 0.00 -1.03 0.00 0.00 54.13 55.93 1wie s LEU 42 Cb -0.06 -4.26 0.08 0.00 0.03 0.00 0.00 46.19 41.98 1wie s LEU 42 CO 0.04 -0.93 0.06 -0.89 0.23 0.00 0.00 176.35 174.86 1wie s THR 43 N -1.56 0.90 -0.34 5.49 2.01 -1.26 0.19 115.64 121.06 1wie s THR 43 Ca 0.64 -1.15 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 1wie s THR 43 Cb -0.28 -1.53 -0.14 0.00 0.01 0.00 0.00 72.50 70.57 1wie s THR 43 CO 0.34 -0.46 1.21 0.00 -0.69 0.00 0.00 174.62 175.02 1wie n ALA 44 N 4.87 -0.61 0.00 7.40 0.00 -1.25 0.20 120.51 131.11 1wie n ALA 44 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wie n ALA 44 Cb 0.44 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1wie n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wie n GLY 45 N 3.48 3.09 3.55 0.00 0.00 0.08 -4.84 105.19 110.54 1wie n GLY 45 Ca 0.26 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1wie n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wie n LYS 46 N 0.00 -1.28 -4.47 1.61 5.02 0.54 -4.66 118.16 114.92 1wie n LYS 46 Ca 0.00 -0.32 -0.23 0.00 -2.02 0.00 0.00 58.31 55.73 1wie n LYS 46 Cb 0.00 -2.22 -0.10 0.00 -0.02 0.00 0.00 35.03 32.69 1wie n LYS 46 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wie s TYR 47 N -2.51 2.15 0.16 2.13 2.02 -1.26 -0.79 117.35 119.24 1wie s TYR 47 Ca 0.66 -0.59 -0.16 0.00 -0.37 0.00 0.00 57.07 56.61 1wie s TYR 47 Cb -0.23 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1wie s TYR 47 CO 0.62 0.43 0.44 -0.48 -1.57 0.00 0.00 175.55 174.99 1wie s LEU 48 N -3.51 0.32 -0.32 -1.29 2.34 0.35 -4.14 118.68 112.43 1wie s LEU 48 Ca 0.30 -0.45 -0.01 0.00 0.06 0.00 0.00 54.13 54.03 1wie s LEU 48 Cb 0.03 1.90 0.06 0.00 -0.56 0.00 0.00 46.19 47.62 1wie s LEU 48 CO 0.14 -0.95 0.02 -0.31 -1.06 0.00 0.00 176.35 174.19 1wie s TYR 49 N -3.85 3.35 -0.36 3.48 2.02 -1.08 -1.19 117.35 119.71 1wie s TYR 49 Ca 0.07 -2.07 -0.15 0.00 -0.37 0.00 0.00 57.07 54.56 1wie s TYR 49 Cb 0.01 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1wie s TYR 49 CO -0.07 -0.85 0.34 0.54 -1.57 0.00 0.00 175.55 173.95 1wie s VAL 50 N 1.20 5.19 0.28 0.71 0.11 0.90 0.19 120.40 128.98 1wie s VAL 50 Ca -0.02 -0.15 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 1wie s VAL 50 Cb -0.20 -3.85 -0.09 0.00 -1.53 0.00 0.00 36.38 30.71 1wie s VAL 50 CO -0.02 -0.15 0.94 -0.31 -3.33 0.00 0.00 175.10 172.23 1wie s TYR 51 N 1.93 3.85 0.00 1.54 2.02 -1.20 -0.03 117.35 125.46 1wie s TYR 51 Ca 0.10 1.85 0.00 0.00 -0.37 0.00 0.00 57.07 58.65 1wie s TYR 51 Cb -0.17 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1wie s TYR 51 CO 0.12 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 1wie n GLY 52 N 1.04 1.07 0.00 0.71 0.00 0.11 -4.49 105.19 103.64 1wie n GLY 52 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1wie n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wie n ASP 53 N 6.23 0.00 -3.81 1.61 2.03 -1.26 -4.76 116.55 116.59 1wie n ASP 53 Ca 0.00 -0.72 -0.40 0.00 0.52 0.00 0.00 54.79 54.19 1wie n ASP 53 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1wie n ASP 53 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1wie n MET 54 N 0.00 0.00 -2.56 -0.67 1.56 -1.26 -4.75 117.12 109.44 1wie n MET 54 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 1wie n MET 54 Cb 0.00 -0.87 0.08 0.00 2.15 0.00 0.00 33.22 34.57 1wie n MET 54 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1wie s ASP 55 N -0.87 4.73 0.56 6.12 2.15 0.26 -4.88 116.67 124.73 1wie s ASP 55 Ca 0.54 -0.15 0.25 0.00 0.43 0.00 0.00 52.55 53.63 1wie s ASP 55 Cb -0.71 -0.45 1.60 0.00 -0.30 0.00 0.00 42.92 43.06 1wie s ASP 55 CO 0.51 -1.57 2.19 1.05 -0.17 0.00 0.00 175.17 177.18 1wie h GLU 56 N -0.32 0.00 0.03 4.34 4.11 -1.92 -0.94 114.58 119.88 1wie h GLU 56 Ca -0.39 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.75 1wie h GLU 56 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1wie h GLU 56 CO 0.47 0.02 -1.62 -0.44 0.07 0.00 0.00 179.01 177.51 1wie h ASP 57 N 0.00 0.08 0.00 3.06 3.32 -2.01 -3.48 116.42 117.39 1wie h ASP 57 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1wie h ASP 57 Cb 0.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wie h ASP 57 CO 0.00 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 1wie n GLY 58 N 1.58 1.31 3.43 2.75 0.00 -0.36 -5.14 105.19 108.77 1wie n GLY 58 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1wie n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wie s PHE 59 N -2.00 1.94 -0.16 1.61 0.08 -1.26 -4.65 117.98 113.53 1wie s PHE 59 Ca 0.00 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1wie s PHE 59 Cb 0.00 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1wie s PHE 59 CO 0.00 0.18 -0.05 0.71 -0.10 0.00 0.00 175.22 175.96 1wie s TYR 60 N -3.12 2.97 -0.86 0.36 2.02 0.51 -0.58 117.35 118.67 1wie s TYR 60 Ca 0.31 -0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 1wie s TYR 60 Cb 0.06 -1.96 -0.11 0.00 -0.40 0.00 0.00 41.96 39.54 1wie s TYR 60 CO 0.13 -0.15 2.62 0.39 -1.57 0.00 0.00 175.55 176.97 1wie n GLU 61 N 3.74 2.43 -1.80 -0.62 1.02 -1.26 0.16 120.64 124.31 1wie n GLU 61 Ca -0.18 -1.48 -0.40 0.00 -0.02 0.00 0.00 57.16 55.08 1wie n GLU 61 Cb 0.52 -2.39 0.01 0.00 -0.02 0.00 0.00 31.44 29.57 1wie n GLU 61 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wie s GLY 62 N 2.65 2.93 -0.47 0.62 0.00 -0.84 -3.26 107.32 108.96 1wie s GLY 62 Ca 0.53 1.50 -0.03 0.00 0.00 0.00 0.00 44.72 46.72 1wie s GLY 62 CO -0.03 2.14 0.26 1.85 0.00 0.00 0.00 173.10 177.32 1wie s GLU 63 N -2.33 2.14 0.66 2.90 2.12 0.50 -2.67 118.70 122.02 1wie s GLU 63 Ca 0.58 -2.03 -0.18 0.00 0.36 0.00 0.00 54.97 53.71 1wie s GLU 63 Cb -0.45 -3.61 -0.14 0.00 0.26 0.00 0.00 34.13 30.20 1wie s GLU 63 CO 0.58 -1.10 -0.22 1.28 -0.54 0.00 0.00 175.26 175.27 1wie n LEU 64 N 4.26 -3.68 0.23 2.70 4.32 0.29 -2.63 117.00 122.50 1wie n LEU 64 Ca 0.01 0.53 0.16 0.00 -0.02 0.00 0.00 56.01 56.68 1wie n LEU 64 Cb 0.40 -0.87 0.79 0.00 -1.62 0.00 0.00 43.42 42.12 1wie n LEU 64 CO 0.33 -4.89 0.98 -0.07 -1.22 0.00 0.00 177.39 172.51 1wie h LEU 65 N -0.30 0.00 0.00 2.23 3.38 -1.88 0.38 115.31 119.11 1wie h LEU 65 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1wie h LEU 65 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1wie h LEU 65 CO 0.37 0.00 -0.25 0.47 0.09 0.00 0.00 178.44 179.12 1wie n ASP 66 N -2.65 0.42 0.00 -0.43 8.00 -1.26 -4.89 116.55 115.74 1wie n ASP 66 Ca -0.01 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1wie n ASP 66 Cb 0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1wie n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wie n GLY 67 N 1.43 0.62 3.68 0.44 0.00 0.13 -5.06 105.19 106.44 1wie n GLY 67 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wie n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wie s GLN 68 N -0.66 4.14 -0.20 1.61 0.74 -1.23 -4.68 119.66 119.38 1wie s GLN 68 Ca 0.00 2.58 -0.03 0.00 0.05 0.00 0.00 55.36 57.95 1wie s GLN 68 Cb 0.00 -3.81 -0.01 0.00 1.10 0.00 0.00 33.01 30.30 1wie s GLN 68 CO 0.00 -0.88 -0.06 1.03 -0.55 0.00 0.00 175.29 174.83 1wie s ARG 69 N 3.38 3.38 0.14 1.67 0.52 -1.26 0.11 118.95 126.89 1wie s ARG 69 Ca 0.83 -0.63 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 1wie s ARG 69 Cb -0.44 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.16 1wie s ARG 69 CO 0.38 -0.12 0.82 0.41 0.02 0.00 0.00 175.30 176.82 1wie n GLY 70 N 4.54 0.73 3.75 -3.53 0.00 -1.09 -4.91 105.19 104.68 1wie n GLY 70 Ca -0.18 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1wie n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wie s LEU 71 N 0.00 2.58 -0.26 0.99 1.43 0.64 -1.99 118.68 122.07 1wie s LEU 71 Ca 0.18 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 1wie s LEU 71 Cb -0.02 -4.12 0.10 0.00 0.03 0.00 0.00 46.19 42.18 1wie s LEU 71 CO 0.04 -2.31 0.61 -0.69 0.23 0.00 0.00 176.35 174.23 1wie s VAL 72 N -2.96 -0.45 0.06 -1.59 1.01 0.41 -1.19 120.40 115.69 1wie s VAL 72 Ca 0.62 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1wie s VAL 72 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1wie s VAL 72 CO 0.56 0.01 1.16 -2.16 0.00 0.00 0.00 175.10 174.68 1wie s PRO 73 N 2.20 4.46 0.00 2.72 0.04 -1.26 0.19 135.00 143.35 1wie s PRO 73 Ca -0.07 1.72 0.16 0.00 0.04 0.00 0.00 61.00 62.84 1wie s PRO 73 Cb -0.09 -3.36 0.77 0.00 0.04 0.00 0.00 34.50 31.87 1wie s PRO 73 CO -0.18 -0.20 1.46 0.45 0.04 0.00 0.00 177.00 178.57 1wie n SER 74 N 3.79 0.00 -0.35 6.66 2.88 -1.26 -1.21 113.62 124.13 1wie n SER 74 Ca 0.08 0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.90 1wie n SER 74 Cb 0.47 -0.33 0.43 0.00 -0.75 0.00 0.00 64.21 64.03 1wie n SER 74 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wie n ASN 75 N -1.33 1.25 0.00 -3.46 5.15 -1.26 -3.68 115.26 111.94 1wie n ASN 75 Ca 0.07 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1wie n ASN 75 Cb 0.14 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wie n PHE 76 N -0.29 0.00 -4.44 1.20 3.01 -0.35 -4.88 117.46 111.71 1wie n PHE 76 Ca 0.15 -0.26 -0.21 0.00 1.01 0.00 0.00 57.45 58.14 1wie n PHE 76 Cb 0.36 -0.03 -0.14 0.00 -0.01 0.00 0.00 39.48 39.66 1wie n PHE 76 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wie s VAL 77 N -0.52 1.18 -0.26 -4.37 -7.23 -1.06 0.13 120.40 108.26 1wie s VAL 77 Ca 0.00 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1wie s VAL 77 Cb 0.00 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 35.96 1wie s VAL 77 CO 0.00 0.08 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.22 1wie s ASP 78 N -1.00 4.16 -0.83 4.85 -1.08 -0.34 -4.74 116.67 117.67 1wie s ASP 78 Ca 0.03 -1.44 -0.17 0.00 -0.52 0.00 0.00 52.55 50.45 1wie s ASP 78 Cb -0.08 -1.31 -0.22 0.00 -1.46 0.00 0.00 42.92 39.86 1wie s ASP 78 CO 0.01 -0.27 2.16 0.49 0.52 0.00 0.00 175.17 178.09 1wie n PHE 79 N 4.56 0.57 -1.14 -5.34 3.72 -1.26 0.31 117.46 118.88 1wie n PHE 79 Ca -0.09 -0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.00 1wie n PHE 79 Cb 0.43 -1.58 0.16 0.00 -0.94 0.00 0.00 39.48 37.54 1wie n PHE 79 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1wie s VAL 80 N 7.84 2.42 -0.01 -4.37 0.11 -0.31 -4.92 120.40 121.16 1wie s VAL 80 Ca 1.00 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 60.19 1wie s VAL 80 Cb -0.40 -2.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1wie s VAL 80 CO 0.28 -0.18 0.00 -1.10 -3.33 0.00 0.00 175.10 170.78 1wie s GLN 81 N -4.91 0.10 0.01 1.54 -0.21 -1.26 -4.69 119.66 110.24 1wie s GLN 81 Ca 0.64 0.05 -0.16 0.00 0.02 0.00 0.00 55.36 55.91 1wie s GLN 81 Cb -0.19 -0.21 -0.09 0.00 1.00 0.00 0.00 33.01 33.52 1wie s GLN 81 CO 0.58 -0.06 1.04 -0.44 -2.12 0.00 0.00 175.29 174.29 1wie h ASP 82 N 6.68 -0.49 -1.86 5.90 3.32 -1.97 -3.42 116.42 124.58 1wie h ASP 82 Ca -0.34 0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.37 1wie h ASP 82 Cb 1.17 0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.54 1wie h ASP 82 CO 0.49 -0.30 -0.68 0.54 -1.72 0.00 0.00 179.24 177.58 1wie s ASN 83 N -3.29 0.86 0.06 6.45 4.22 -1.26 -5.04 114.94 116.94 1wie s ASN 83 Ca -0.08 -1.62 -0.13 0.00 -2.14 0.00 0.00 52.86 48.89 1wie s ASN 83 Cb 0.01 0.67 -0.03 0.00 1.28 0.00 0.00 41.25 43.17 1wie s ASN 83 CO 0.25 -0.24 1.22 -0.33 -2.04 0.00 0.00 177.10 175.96 1wie h GLU 84 N 6.88 -0.06 -5.68 3.55 4.39 -2.01 -3.38 114.58 118.27 1wie h GLU 84 Ca 0.06 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.09 1wie h GLU 84 Cb 1.06 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 1wie h GLU 84 CO 0.19 -0.04 1.46 0.43 -1.16 0.00 0.00 179.01 179.90 1wie n SER 85 N -3.87 0.68 0.06 1.42 7.64 -1.26 -4.61 113.62 113.69 1wie n SER 85 Ca -0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1wie n SER 85 Cb 0.12 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wie n SER 85 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wie n ARG 86 N 7.86 0.00 -3.17 1.43 5.12 -1.26 -5.11 116.66 121.52 1wie n ARG 86 Ca 0.58 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 56.32 1wie n ARG 86 Cb -0.00 -0.16 -0.00 0.00 -1.16 0.00 0.00 32.46 31.14 1wie n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wie s LEU 87 N -6.19 3.57 0.00 0.55 1.43 -1.26 -4.99 118.68 111.79 1wie s LEU 87 Ca 0.00 -0.52 0.31 0.00 -1.03 0.00 0.00 54.13 52.89 1wie s LEU 87 Cb 0.00 -2.46 1.68 0.00 0.03 0.00 0.00 46.19 45.44 1wie s LEU 87 CO 0.00 -0.74 2.12 0.00 0.23 0.00 0.00 176.35 177.95 1wie n ALA 88 N -1.77 2.63 -1.44 4.21 0.00 -1.26 -5.00 120.51 117.88 1wie n ALA 88 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wie n ALA 88 Cb 0.60 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1wie n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wie n SER 89 N -1.02 -7.77 -0.00 0.00 2.88 -1.26 -5.00 113.62 101.44 1wie n SER 89 Ca 0.20 1.06 -0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wie n SER 89 Cb 0.18 -3.81 -0.00 0.00 -0.75 0.00 0.00 64.21 59.82 1wie n SER 89 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wie n THR 90 N -0.02 0.04 -4.26 2.46 5.66 -1.26 -5.06 114.28 111.84 1wie n THR 90 Ca 0.00 -0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 60.72 1wie n THR 90 Cb 0.00 -0.61 -0.08 0.00 -1.55 0.00 0.00 70.33 68.08 1wie n THR 90 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wie s SER 91 N -3.88 4.49 0.53 1.09 0.15 -1.26 -5.14 113.70 109.67 1wie s SER 91 Ca -0.01 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.19 1wie s SER 91 Cb 0.00 -0.85 0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1wie s SER 91 CO 0.02 0.09 0.40 -0.83 1.20 0.00 0.00 173.24 174.12 1wie s GLY 92 N -2.96 2.34 1.05 9.45 0.00 -1.26 -5.14 107.32 110.81 1wie s GLY 92 Ca 0.27 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.46 1wie s GLY 92 CO 0.17 -1.92 1.21 2.56 0.00 0.00 0.00 173.10 175.12 1wie s PRO 93 N -4.26 -0.06 0.30 2.90 0.04 -1.26 -5.09 135.00 127.57 1wie s PRO 93 Ca 0.36 -0.17 0.11 0.00 0.04 0.00 0.00 61.00 61.34 1wie s PRO 93 Cb -0.02 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1wie s PRO 93 CO 0.22 -2.92 -0.10 -1.54 0.04 0.00 0.00 177.00 172.70 1wie s SER 94 N -4.36 3.93 0.32 6.66 1.04 -1.26 -5.11 113.70 114.92 1wie s SER 94 Ca 0.71 -0.96 -0.28 0.00 0.48 0.00 0.00 55.95 55.90 1wie s SER 94 Cb -0.08 -0.47 -0.10 0.00 0.10 0.00 0.00 66.02 65.47 1wie s SER 94 CO 0.54 -0.05 1.16 -0.94 0.98 0.00 0.00 173.24 174.94 1wie s SER 95 N -3.60 6.98 0.00 7.02 1.04 -1.26 -5.37 113.70 118.51 1wie s SER 95 Ca 0.31 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.13 1wie s SER 95 Cb -0.04 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1wie s SER 95 CO 0.17 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.64