#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 0.00 -2.47 1.61 3.41 -1.26 -5.11 113.62 109.81 1wie n SER 2 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1wie n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1wie n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wie n SER 3 N 0.00 -2.08 0.00 4.04 2.88 -1.26 -5.05 113.62 112.15 1wie n SER 3 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wie n SER 3 Cb 0.00 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 1wie n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wie n GLY 4 N 1.27 4.36 1.49 0.46 0.00 -1.26 -5.10 105.19 106.41 1wie n GLY 4 Ca -0.28 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.49 -2.99 1.61 7.64 -1.26 -5.11 113.62 114.00 1wie n SER 5 Ca 0.00 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wie n SER 5 Cb 0.00 0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1wie n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wie n SER 6 N -3.47 -6.81 -3.59 6.43 3.41 -1.26 -5.03 113.62 103.30 1wie n SER 6 Ca 0.00 0.85 -0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1wie n SER 6 Cb 0.01 -3.04 -0.04 0.00 -0.26 0.00 0.00 64.21 60.88 1wie n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wie s GLY 7 N -1.11 -0.19 -0.01 5.00 0.00 -1.26 -5.04 107.32 104.71 1wie s GLY 7 Ca -0.02 2.08 0.15 0.00 0.00 0.00 0.00 44.72 46.94 1wie s GLY 7 CO 0.31 0.91 0.45 -0.37 0.00 0.00 0.00 173.10 174.39 1wie n THR 8 N 0.45 0.00 0.00 0.90 5.66 -1.26 -4.96 114.28 115.08 1wie n THR 8 Ca -0.06 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1wie n THR 8 Cb 0.59 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1wie n THR 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wie n SER 9 N -1.78 0.00 -0.04 1.09 3.41 -1.26 -5.08 113.62 109.96 1wie n SER 9 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 1wie n SER 9 Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1wie n SER 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wie n LYS 10 N 0.00 0.32 -4.19 4.33 4.81 -1.26 -5.05 118.16 117.12 1wie n LYS 10 Ca 0.00 0.13 -0.16 0.00 -0.87 0.00 0.00 58.31 57.41 1wie n LYS 10 Cb 0.00 -1.05 -0.14 0.00 0.02 0.00 0.00 35.03 33.86 1wie n LYS 10 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wie s GLN 11 N -2.48 0.54 -0.29 1.64 -1.52 -1.26 -5.03 119.66 111.26 1wie s GLN 11 Ca -0.18 -0.38 -0.00 0.00 -1.95 0.00 0.00 55.36 52.85 1wie s GLN 11 Cb 0.04 -0.47 0.23 0.00 -0.22 0.00 0.00 33.01 32.58 1wie s GLN 11 CO 0.26 0.12 1.89 0.54 -0.25 0.00 0.00 175.29 177.85 1wie n ARG 12 N 2.53 1.73 -1.11 2.91 5.12 -1.26 -3.67 116.66 122.92 1wie n ARG 12 Ca -0.16 -1.49 -0.01 0.00 -1.93 0.00 0.00 57.85 54.27 1wie n ARG 12 Cb 0.57 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1wie n ARG 12 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1wie n TYR 13 N 0.24 -0.15 -2.06 -1.55 4.01 -1.26 -4.98 117.16 111.43 1wie n TYR 13 Ca 0.29 -0.16 -0.02 0.00 -0.16 0.00 0.00 57.90 57.86 1wie n TYR 13 Cb 0.68 0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 40.18 1wie n TYR 13 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1wie n SER 14 N -0.11 -0.17 -4.20 7.72 7.64 -1.24 -5.10 113.62 118.17 1wie n SER 14 Ca -0.03 -1.56 -0.28 0.00 1.01 0.00 0.00 58.87 58.01 1wie n SER 14 Cb 0.43 0.02 0.18 0.00 -1.01 0.00 0.00 64.21 63.83 1wie n SER 14 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wie s GLY 15 N -0.67 1.80 0.93 0.23 0.00 -1.26 -4.93 107.32 103.41 1wie s GLY 15 Ca 0.04 -1.50 -0.14 0.00 0.00 0.00 0.00 44.72 43.12 1wie s GLY 15 CO -0.02 -0.74 0.26 0.28 0.00 0.00 0.00 173.10 172.88 1wie n LYS 16 N -3.53 -0.18 -4.09 2.90 5.02 -1.26 -4.47 118.16 112.54 1wie n LYS 16 Ca 0.17 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.22 1wie n LYS 16 Cb 0.60 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 1wie n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wie s VAL 17 N -2.28 4.57 -0.27 -0.18 1.01 -1.26 -2.59 120.40 119.40 1wie s VAL 17 Ca 0.56 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1wie s VAL 17 Cb -0.23 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 32.83 1wie s VAL 17 CO 0.68 -0.34 0.35 -1.00 0.00 0.00 0.00 175.10 174.80 1wie s HIS 18 N -2.09 -0.74 -0.11 5.22 0.09 -0.97 -4.87 115.29 111.82 1wie s HIS 18 Ca 0.33 0.34 -0.29 0.00 -0.00 0.00 0.00 55.06 55.44 1wie s HIS 18 Cb -0.08 -0.20 -0.04 0.00 -0.00 0.00 0.00 32.58 32.26 1wie s HIS 18 CO 0.25 -0.85 1.51 -1.17 -0.00 0.00 0.00 174.74 174.48 1wie s LEU 19 N 2.48 4.24 0.35 0.89 2.96 -1.26 -0.57 118.68 127.77 1wie s LEU 19 Ca 0.10 2.00 0.09 0.00 -0.22 0.00 0.00 54.13 56.10 1wie s LEU 19 Cb -0.14 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1wie s LEU 19 CO -0.25 -0.89 0.04 0.00 -1.32 0.00 0.00 176.35 173.93 1wie s VAL 21 N -2.52 0.51 -0.08 0.00 0.11 0.16 -0.46 120.40 118.11 1wie s VAL 21 Ca 0.36 -1.14 -0.39 0.00 -2.93 0.00 0.00 61.98 57.88 1wie s VAL 21 Cb 0.00 -1.39 -0.19 0.00 -1.53 0.00 0.00 36.38 33.27 1wie s VAL 21 CO 0.20 -0.69 1.09 0.00 -3.33 0.00 0.00 175.10 172.37 1wie n ALA 22 N 5.01 -3.07 0.04 1.54 0.00 0.05 -1.98 120.51 122.10 1wie n ALA 22 Ca -0.04 0.55 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1wie n ALA 22 Cb 0.42 -1.68 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 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 3.15 0.27 -3.48 0.00 2.43 -0.17 0.99 114.38 117.57 1wie h ARG 23 Ca -0.47 -0.46 -0.29 0.00 -0.81 0.00 0.00 59.98 57.95 1wie h ARG 23 Cb 1.33 0.17 -0.34 0.00 -0.42 0.00 0.00 29.97 30.72 1wie h ARG 23 CO 0.67 1.13 -0.71 0.71 -1.51 0.00 0.00 179.97 180.26 1wie s TYR 24 N -2.59 0.00 0.04 2.20 2.02 -1.25 -4.53 117.35 113.24 1wie s TYR 24 Ca -0.14 0.18 -0.39 0.00 -0.37 0.00 0.00 57.07 56.36 1wie s TYR 24 Cb 0.06 -0.22 -0.18 0.00 -0.40 0.00 0.00 41.96 41.22 1wie s TYR 24 CO 0.83 -0.10 1.20 0.43 -1.57 0.00 0.00 175.55 176.34 1wie n SER 25 N 4.20 0.76 -4.33 2.29 7.64 -1.26 -4.24 113.62 118.69 1wie n SER 25 Ca -0.28 1.14 -0.24 0.00 1.01 0.00 0.00 58.87 60.50 1wie n SER 25 Cb 0.50 -1.04 -0.12 0.00 -1.01 0.00 0.00 64.21 62.54 1wie n SER 25 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1wie s TYR 26 N 0.23 1.92 -0.32 1.43 5.04 -0.40 -4.87 117.35 120.39 1wie s TYR 26 Ca 0.88 -0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.10 1wie s TYR 26 Cb -1.12 -1.01 0.15 0.00 0.35 0.00 0.00 41.96 40.32 1wie s TYR 26 CO 0.52 0.29 0.34 -0.80 -1.34 0.00 0.00 175.55 174.57 1wie s ASN 27 N -2.22 1.27 0.34 4.32 -0.87 -1.26 -3.14 114.94 113.37 1wie s ASN 27 Ca 0.11 -0.96 0.26 0.00 -1.57 0.00 0.00 52.86 50.71 1wie s ASN 27 Cb -0.09 0.64 0.89 0.00 -0.02 0.00 0.00 41.25 42.67 1wie s ASN 27 CO 0.06 -0.34 1.77 1.55 -2.57 0.00 0.00 177.10 177.57 1wie h PRO 28 N 7.85 0.00 -0.94 -0.60 0.13 -1.86 -2.98 132.00 133.59 1wie h PRO 28 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.75 1wie h PRO 28 Cb 1.08 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 1wie h PRO 28 CO 0.28 0.00 0.41 1.19 -0.23 0.00 0.00 178.00 179.64 1wie n PHE 29 N -2.58 2.19 -0.03 1.56 3.72 -1.26 -3.84 117.46 117.21 1wie n PHE 29 Ca 0.03 -1.34 0.01 0.00 -0.05 0.00 0.00 57.45 56.10 1wie n PHE 29 Cb 0.36 -0.71 -0.10 0.00 -0.94 0.00 0.00 39.48 38.09 1wie n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wie n ASP 30 N -0.52 2.01 -4.75 4.37 2.03 -1.13 -5.02 116.55 113.55 1wie n ASP 30 Ca 0.41 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.52 1wie n ASP 30 Cb 1.31 1.21 0.08 0.00 -0.72 0.00 0.00 41.12 43.00 1wie n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wie n GLY 31 N 2.00 1.65 0.00 0.27 0.00 -1.25 -4.97 105.19 102.88 1wie n GLY 31 Ca -0.11 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.36 0.73 -1.58 1.61 -0.04 -1.26 -4.87 135.00 127.24 1wie n PRO 32 Ca 0.16 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 63.00 1wie n PRO 32 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.02 1.08 0.00 3.54 3.02 -1.26 -4.74 115.26 115.88 1wie n ASN 33 Ca 0.18 1.06 0.14 0.00 -0.03 0.00 0.00 54.58 55.93 1wie n ASN 33 Cb 0.09 -0.81 0.79 0.00 -0.61 0.00 0.00 39.78 39.24 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 3.97 0.65 -3.18 3.52 1.02 -1.26 -3.64 120.64 121.72 1wie n GLU 34 Ca 0.31 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 57.27 1wie n GLU 34 Cb -0.05 -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 -1.15 1.04 0.06 1.62 4.05 -1.26 -4.91 115.26 114.71 1wie n ASN 35 Ca 0.18 -3.04 -0.11 0.00 0.45 0.00 0.00 54.58 52.05 1wie n ASN 35 Cb 0.17 -0.62 -0.01 0.00 1.23 0.00 0.00 39.78 40.55 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 3.05 0.38 0.00 1.20 0.13 -1.80 -3.01 132.00 131.95 1wie h PRO 36 Ca 0.10 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1wie h PRO 36 Cb 0.94 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wie h PRO 36 CO 0.52 1.03 -0.02 1.05 -0.23 0.00 0.00 178.00 180.35 1wie h GLU 37 N 0.23 0.00 -0.43 0.86 4.11 -1.90 -1.91 114.58 115.53 1wie h GLU 37 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1wie h GLU 37 Cb 1.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1wie h GLU 37 CO 0.14 0.02 0.27 0.00 0.07 0.00 0.00 179.01 179.52 1wie h ALA 38 N 1.98 0.55 -4.51 1.06 0.00 -1.87 -3.44 119.26 113.02 1wie h ALA 38 Ca -0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.49 1wie h ALA 38 Cb 0.14 -0.17 0.11 0.00 0.00 0.00 0.00 17.79 17.86 1wie h ALA 38 CO 0.00 0.02 0.22 0.39 0.00 0.00 0.00 179.25 179.88 1wie n GLU 39 N -4.77 -0.53 -4.71 0.00 1.02 -0.72 0.24 120.64 111.17 1wie n GLU 39 Ca 0.01 -2.02 -0.25 0.00 -0.02 0.00 0.00 57.16 54.89 1wie n GLU 39 Cb 0.04 -0.85 -0.16 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.87 -0.98 -4.62 1.43 0.28 -4.38 118.68 112.29 1wie s LEU 40 Ca 0.60 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1wie s LEU 40 Cb -0.02 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1wie s LEU 40 CO 0.41 0.13 1.70 -2.16 0.23 0.00 0.00 176.35 176.65 1wie s PRO 41 N 0.10 3.10 1.14 1.29 0.04 -1.26 -4.76 135.00 134.65 1wie s PRO 41 Ca -0.04 -0.76 -0.13 0.00 0.04 0.00 0.00 61.00 60.11 1wie s PRO 41 Cb -0.11 -5.22 0.25 0.00 0.04 0.00 0.00 34.50 29.45 1wie s PRO 41 CO 0.02 -2.79 0.89 1.28 0.04 0.00 0.00 177.00 176.44 1wie n LEU 42 N 11.35 -1.01 -3.33 -3.56 7.99 -1.19 -4.73 117.00 122.53 1wie n LEU 42 Ca 0.37 -0.08 -0.12 0.00 -0.01 0.00 0.00 56.01 56.17 1wie n LEU 42 Cb 0.49 -1.25 -0.07 0.00 -0.11 0.00 0.00 43.42 42.49 1wie n LEU 42 CO 0.63 -3.16 -0.10 -0.89 -1.51 0.00 0.00 177.39 172.37 1wie s THR 43 N -2.41 -0.53 -0.05 -5.08 2.01 -1.26 -1.27 115.64 107.04 1wie s THR 43 Ca 0.67 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1wie s THR 43 Cb -0.24 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1wie s THR 43 CO 0.65 -0.39 0.21 0.00 -0.69 0.00 0.00 174.62 174.40 1wie n ALA 44 N 4.89 -0.06 0.00 7.40 0.00 -1.25 0.24 120.51 131.73 1wie n ALA 44 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wie n ALA 44 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.64 3.02 3.26 0.00 0.00 0.34 -4.87 105.19 107.59 1wie n GLY 45 Ca 0.05 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.05 -4.39 1.61 5.02 0.67 -4.49 118.16 116.53 1wie n LYS 46 Ca 0.00 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 1wie n LYS 46 Cb 0.00 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.13 2.42 0.03 2.13 2.02 -1.26 -0.77 117.35 119.79 1wie s TYR 47 Ca 0.52 -0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 56.67 1wie s TYR 47 Cb -0.25 -1.14 0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1wie s TYR 47 CO 0.71 0.57 0.58 -0.48 -1.57 0.00 0.00 175.55 175.36 1wie s LEU 48 N -3.04 -0.31 -0.15 -1.29 -0.00 0.39 -3.80 118.68 110.48 1wie s LEU 48 Ca 0.25 0.34 -0.03 0.00 -0.00 0.00 0.00 54.13 54.69 1wie s LEU 48 Cb -0.07 2.30 -0.03 0.00 -0.00 0.00 0.00 46.19 48.39 1wie s LEU 48 CO 0.14 -0.71 -0.03 -0.31 -0.00 0.00 0.00 176.35 175.44 1wie s TYR 49 N -2.15 3.04 -0.38 3.48 2.02 -1.21 0.28 117.35 122.43 1wie s TYR 49 Ca -0.07 -0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.28 1wie s TYR 49 Cb -0.01 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1wie s TYR 49 CO 0.01 0.03 0.25 0.08 -1.57 0.00 0.00 175.55 174.35 1wie s VAL 50 N 0.20 5.02 -0.77 0.71 1.01 0.27 0.26 120.40 127.10 1wie s VAL 50 Ca -0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1wie s VAL 50 Cb -0.14 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1wie s VAL 50 CO 0.03 -0.19 0.88 -0.31 0.00 0.00 0.00 175.10 175.51 1wie s TYR 51 N 1.65 3.21 0.00 5.22 1.51 -0.98 -2.28 117.35 125.68 1wie s TYR 51 Ca 0.04 -1.35 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 1wie s TYR 51 Cb -0.18 -4.08 0.00 0.00 -0.11 0.00 0.00 41.96 37.59 1wie s TYR 51 CO 0.09 -1.31 0.00 0.41 -1.11 0.00 0.00 175.55 173.63 1wie n GLY 52 N 5.03 0.26 1.34 0.71 0.00 -1.07 -4.63 105.19 106.84 1wie n GLY 52 Ca 0.08 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.62 -4.69 1.61 2.03 -1.26 -4.84 116.55 108.78 1wie n ASP 53 Ca 0.00 -1.70 -0.55 0.00 0.52 0.00 0.00 54.79 53.06 1wie n ASP 53 Cb 0.00 1.11 -0.06 0.00 -0.72 0.00 0.00 41.12 41.44 1wie n ASP 53 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1wie n MET 54 N -0.22 1.38 0.00 -0.67 2.81 -1.25 -4.62 117.12 114.55 1wie n MET 54 Ca -0.01 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1wie n MET 54 Cb 0.23 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1wie n MET 54 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1wie n ASP 55 N 5.28 -0.25 0.14 7.83 2.03 -0.34 -4.78 116.55 126.47 1wie n ASP 55 Ca 0.25 -0.10 0.02 0.00 0.52 0.00 0.00 54.79 55.47 1wie n ASP 55 Cb 0.17 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.72 1wie n ASP 55 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wie h GLU 56 N 0.00 0.00 0.00 -0.67 4.39 -1.92 -2.94 114.58 113.45 1wie h GLU 56 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wie h GLU 56 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1wie h GLU 56 CO 0.00 0.55 -0.76 -0.44 -1.16 0.00 0.00 179.01 177.21 1wie h ASP 57 N 0.00 0.00 -0.46 1.42 5.19 -2.01 -3.47 116.42 117.09 1wie h ASP 57 Ca -0.01 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1wie h ASP 57 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1wie h ASP 57 CO 0.07 0.07 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 1wie n GLY 58 N 1.27 0.80 3.64 2.75 0.00 -1.11 -5.11 105.19 107.44 1wie n GLY 58 Ca 0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.10 2.38 -0.14 1.61 0.40 -1.26 -4.68 117.98 114.19 1wie s PHE 59 Ca 0.00 -0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1wie s PHE 59 Cb 0.00 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 1wie s PHE 59 CO 0.00 0.39 -0.10 0.71 0.70 0.00 0.00 175.22 176.92 1wie s TYR 60 N -2.76 2.87 -1.22 0.36 2.02 0.45 -1.19 117.35 117.88 1wie s TYR 60 Ca 0.29 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.32 1wie s TYR 60 Cb 0.08 -1.89 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 1wie s TYR 60 CO 0.15 -0.19 2.45 0.39 -1.57 0.00 0.00 175.55 176.78 1wie n GLU 61 N 3.61 2.75 -0.95 -0.62 1.02 -1.26 0.21 120.64 125.40 1wie n GLU 61 Ca -0.18 -1.83 -0.33 0.00 -0.02 0.00 0.00 57.16 54.80 1wie n GLU 61 Cb 0.52 -2.65 0.13 0.00 -0.02 0.00 0.00 31.44 29.42 1wie n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wie n GLY 62 N 3.74 -0.72 2.62 0.62 0.00 -0.51 -2.31 105.19 108.63 1wie n GLY 62 Ca 0.59 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1wie n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wie s GLU 63 N -3.97 1.45 0.31 1.61 2.12 0.72 -2.50 118.70 118.43 1wie s GLU 63 Ca 0.67 -2.43 -0.16 0.00 0.36 0.00 0.00 54.97 53.41 1wie s GLU 63 Cb -0.27 -2.22 -0.12 0.00 0.26 0.00 0.00 34.13 31.78 1wie s GLU 63 CO 0.57 -1.30 0.07 1.28 -0.54 0.00 0.00 175.26 175.34 1wie n LEU 64 N 2.79 -2.19 0.29 2.70 4.32 0.14 -3.34 117.00 121.70 1wie n LEU 64 Ca 0.21 0.63 0.17 0.00 -0.02 0.00 0.00 56.01 57.00 1wie n LEU 64 Cb 0.40 -0.68 0.91 0.00 -1.62 0.00 0.00 43.42 42.44 1wie n LEU 64 CO 0.18 -3.22 1.06 -0.07 -1.22 0.00 0.00 177.39 174.12 1wie h LEU 65 N 0.25 0.00 -0.09 2.23 3.38 -1.89 1.24 115.31 120.43 1wie h LEU 65 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1wie h LEU 65 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wie h LEU 65 CO 0.36 0.00 -0.06 -0.67 0.09 0.00 0.00 178.44 178.16 1wie n ASP 66 N -2.76 0.20 0.00 -0.43 -0.08 -1.26 -4.86 116.55 107.35 1wie n ASP 66 Ca -0.02 -0.32 0.00 0.00 -1.51 0.00 0.00 54.79 52.94 1wie n ASP 66 Cb 0.16 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1wie n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wie n GLY 67 N 1.29 0.50 3.67 0.27 0.00 0.42 -5.03 105.19 106.31 1wie n GLY 67 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1wie n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wie n GLN 68 N -2.00 2.82 -4.22 1.61 6.02 -1.19 -4.71 117.38 115.71 1wie n GLN 68 Ca 0.00 1.03 -0.34 0.00 -0.01 0.00 0.00 57.00 57.68 1wie n GLN 68 Cb 0.00 -2.97 -0.13 0.00 1.02 0.00 0.00 30.24 28.16 1wie n GLN 68 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wie s ARG 69 N 3.96 3.51 0.03 -1.09 0.52 -1.26 0.25 118.95 124.86 1wie s ARG 69 Ca 0.87 -0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 55.23 1wie s ARG 69 Cb -0.46 -2.94 0.09 0.00 0.52 0.00 0.00 34.95 32.16 1wie s ARG 69 CO 0.41 0.03 1.21 0.41 0.02 0.00 0.00 175.30 177.38 1wie n GLY 70 N 4.14 0.31 3.69 -3.53 0.00 -1.04 -4.90 105.19 103.85 1wie n GLY 70 Ca -0.18 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 2.24 -0.27 0.99 1.43 0.66 -1.43 118.68 122.31 1wie s LEU 71 Ca 0.28 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 1wie s LEU 71 Cb -0.01 -4.00 0.10 0.00 0.03 0.00 0.00 46.19 42.31 1wie s LEU 71 CO 0.01 -2.83 0.61 -0.69 0.23 0.00 0.00 176.35 173.68 1wie s VAL 72 N -2.84 -0.48 -0.01 -1.59 1.01 0.55 -0.56 120.40 116.49 1wie s VAL 72 Ca 0.64 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1wie s VAL 72 Cb -0.19 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1wie s VAL 72 CO 0.58 0.01 1.20 -2.16 0.00 0.00 0.00 175.10 174.73 1wie s PRO 73 N 2.23 4.38 0.00 2.72 0.04 -1.26 0.17 135.00 143.29 1wie s PRO 73 Ca -0.07 1.71 0.12 0.00 0.04 0.00 0.00 61.00 62.79 1wie s PRO 73 Cb -0.09 -3.48 0.53 0.00 0.04 0.00 0.00 34.50 31.49 1wie s PRO 73 CO -0.18 -0.37 1.33 -1.13 0.04 0.00 0.00 177.00 176.69 1wie n SER 74 N 4.73 0.00 -0.31 6.66 3.41 -1.26 -0.82 113.62 126.04 1wie n SER 74 Ca 0.10 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1wie n SER 74 Cb 0.46 -0.42 0.58 0.00 -0.26 0.00 0.00 64.21 64.57 1wie n SER 74 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wie n ASN 75 N -1.42 1.02 0.00 4.04 2.85 -1.26 -3.52 115.26 116.97 1wie n ASN 75 Ca 0.04 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.35 1wie n ASN 75 Cb 0.12 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1wie n PHE 76 N -0.34 0.00 -4.23 1.20 3.01 0.00 -4.88 117.46 112.22 1wie n PHE 76 Ca 0.18 -0.19 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 1wie n PHE 76 Cb 0.30 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.38 1.36 -0.23 -4.37 -7.23 -1.03 0.57 120.40 109.10 1wie s VAL 77 Ca 0.00 -1.57 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1wie s VAL 77 Cb 0.00 -1.41 0.07 0.00 0.56 0.00 0.00 36.38 35.60 1wie s VAL 77 CO 0.00 -0.29 0.07 -0.62 -0.31 0.00 0.00 175.10 173.95 1wie s ASP 78 N -2.15 3.14 -0.89 4.85 2.15 -0.84 -4.76 116.67 118.18 1wie s ASP 78 Ca 0.05 -1.01 -0.19 0.00 0.43 0.00 0.00 52.55 51.83 1wie s ASP 78 Cb -0.07 -0.57 -0.24 0.00 -0.30 0.00 0.00 42.92 41.73 1wie s ASP 78 CO 0.03 -0.35 2.34 0.49 -0.17 0.00 0.00 175.17 177.51 1wie n PHE 79 N 5.07 0.55 -1.67 -5.34 3.01 -1.26 -0.67 117.46 117.15 1wie n PHE 79 Ca -0.07 0.07 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 1wie n PHE 79 Cb 0.46 -1.60 0.12 0.00 -0.01 0.00 0.00 39.48 38.45 1wie n PHE 79 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1wie s VAL 80 N 6.76 2.07 -0.21 -4.37 0.11 -0.15 -4.92 120.40 119.70 1wie s VAL 80 Ca 1.19 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 60.22 1wie s VAL 80 Cb -0.65 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 1wie s VAL 80 CO 0.39 -0.03 -0.04 0.00 -3.33 0.00 0.00 175.10 172.09 1wie s GLN 81 N -5.38 3.43 0.23 1.54 -2.07 -1.26 -4.63 119.66 111.52 1wie s GLN 81 Ca 0.63 -0.61 -0.08 0.00 -1.82 0.00 0.00 55.36 53.48 1wie s GLN 81 Cb -0.13 -2.99 0.37 0.00 -1.09 0.00 0.00 33.01 29.17 1wie s GLN 81 CO 0.52 -0.11 1.67 0.22 -1.32 0.00 0.00 175.29 176.27 1wie h ASP 82 N 7.84 -0.13 0.00 12.60 3.58 -1.97 -3.42 116.42 134.92 1wie h ASP 82 Ca -0.39 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1wie h ASP 82 Cb 1.17 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1wie h ASP 82 CO 0.60 -0.07 0.00 -3.20 -2.88 0.00 0.00 179.24 173.69 1wie n ASN 83 N -5.22 0.00 0.00 2.28 5.15 -1.26 -5.08 115.26 111.13 1wie n ASN 83 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1wie n ASN 83 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1wie n ASN 83 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wie n GLU 84 N 0.00 0.00 -3.58 1.20 -0.58 -1.26 -4.85 120.64 111.57 1wie n GLU 84 Ca 0.00 0.71 -0.11 0.00 -0.42 0.00 0.00 57.16 57.35 1wie n GLU 84 Cb 0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1wie n GLU 84 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wie s SER 85 N -2.92 -0.36 -0.25 1.62 0.15 -1.26 -5.08 113.70 105.60 1wie s SER 85 Ca 0.00 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 1wie s SER 85 Cb 0.00 0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1wie s SER 85 CO 0.00 -0.95 -0.35 0.54 1.20 0.00 0.00 173.24 173.68 1wie n ARG 86 N -0.31 0.56 -3.85 5.44 1.74 -1.26 -4.48 116.66 114.50 1wie n ARG 86 Ca -0.15 0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1wie n ARG 86 Cb 0.64 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 1wie n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wie s LEU 87 N -7.62 4.34 -0.02 0.55 1.43 -1.26 -4.09 118.68 112.01 1wie s LEU 87 Ca -0.35 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1wie s LEU 87 Cb 0.11 -2.98 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1wie s LEU 87 CO 0.47 0.16 1.30 0.00 0.23 0.00 0.00 176.35 178.51 1wie s ALA 88 N -1.51 -2.31 -1.02 4.21 0.00 -1.26 -5.08 121.76 114.79 1wie s ALA 88 Ca 0.35 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1wie s ALA 88 Cb -0.13 0.46 0.15 0.00 0.00 0.00 0.00 23.12 23.60 1wie s ALA 88 CO 0.25 -1.08 1.22 -1.12 0.00 0.00 0.00 175.76 175.04 1wie s SER 89 N -3.16 6.79 -0.26 0.00 0.01 -1.26 -4.90 113.70 110.92 1wie s SER 89 Ca 0.17 -2.41 -0.28 0.00 1.31 0.00 0.00 55.95 54.75 1wie s SER 89 Cb 0.04 -2.39 0.17 0.00 0.21 0.00 0.00 66.02 64.05 1wie s SER 89 CO -0.03 -0.93 1.26 0.28 0.41 0.00 0.00 173.24 174.23 1wie s THR 90 N 2.17 0.00 -0.75 1.44 -1.32 -1.26 -5.08 115.64 110.84 1wie s THR 90 Ca 0.36 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.58 1wie s THR 90 Cb -0.04 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.79 1wie s THR 90 CO -0.06 0.00 2.46 -0.24 -2.21 0.00 0.00 174.62 174.57 1wie n SER 91 N 1.08 1.20 0.00 8.08 2.88 -1.26 -4.69 113.62 120.90 1wie n SER 91 Ca -0.07 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1wie n SER 91 Cb 0.58 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1wie n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wie n GLY 92 N 6.23 -0.36 3.58 0.46 0.00 -1.26 -5.08 105.19 108.76 1wie n GLY 92 Ca 0.51 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.97 1wie n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wie s PRO 93 N 0.00 3.22 -0.51 1.61 0.04 -1.26 -4.32 135.00 133.78 1wie s PRO 93 Ca 0.00 -1.42 -0.22 0.00 0.04 0.00 0.00 61.00 59.41 1wie s PRO 93 Cb 0.00 -5.36 0.03 0.00 0.04 0.00 0.00 34.50 29.21 1wie s PRO 93 CO 0.00 -3.04 0.64 0.43 0.04 0.00 0.00 177.00 175.07 1wie n SER 94 N 11.34 -6.75 0.05 6.66 7.64 -1.26 -4.98 113.62 126.32 1wie n SER 94 Ca 0.45 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1wie n SER 94 Cb 0.47 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 1wie n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wie n SER 95 N -0.63 1.07 0.00 6.43 2.88 -1.26 -5.07 113.62 117.04 1wie n SER 95 Ca -0.01 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wie n SER 95 Cb 0.57 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42