#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ewl s ASN -1 N 0.00 6.34 0.28 6.43 0.01 -1.26 -4.91 114.94 121.83 3ewl s ASN -1 Ca 0.00 1.29 -0.30 0.00 -0.71 0.00 0.00 52.86 53.14 3ewl s ASN -1 Cb 0.00 -2.40 -0.13 0.00 0.41 0.00 0.00 41.25 39.13 3ewl s ASN -1 CO 0.00 -0.69 1.37 0.00 -1.51 0.00 0.00 177.10 176.27 3ewl n ALA 0 N -2.25 1.30 -1.49 0.60 0.00 -1.26 -4.45 120.51 112.96 3ewl n ALA 0 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3ewl n ALA 0 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3ewl n ALA 0 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ewl n GLY 1 N 1.60 0.98 3.73 0.00 0.00 0.14 -4.95 105.19 106.69 3ewl n GLY 1 Ca 0.09 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3ewl n GLY 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ewl s LYS 3 N -3.01 4.22 0.32 1.61 1.02 -1.26 -4.79 119.74 117.85 3ewl s LYS 3 Ca 0.00 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.64 3ewl s LYS 3 Cb 0.00 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 3ewl s LYS 3 CO 0.00 0.26 1.27 0.00 -0.92 0.00 0.00 175.35 175.96 3ewl s ALA 4 N 0.44 3.48 0.22 5.17 0.00 0.19 -4.84 121.76 126.41 3ewl s ALA 4 Ca 0.12 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 52.97 3ewl s ALA 4 Cb -0.12 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 3ewl s ALA 4 CO 0.01 -0.56 1.67 0.00 0.00 0.00 0.00 175.76 176.88 3ewl n ALA 5 N 0.87 2.51 -2.37 0.00 0.00 -1.26 -4.98 120.51 115.28 3ewl n ALA 5 Ca -0.00 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 3ewl n ALA 5 Cb 0.42 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 3ewl n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ewl s ASP 6 N 0.98 6.38 -0.06 0.00 2.15 -1.26 -5.00 116.67 119.86 3ewl s ASP 6 Ca 0.73 0.85 -0.30 0.00 0.43 0.00 0.00 52.55 54.27 3ewl s ASP 6 Cb -0.53 -2.21 0.11 0.00 -0.30 0.00 0.00 42.92 39.99 3ewl s ASP 6 CO 0.37 -0.40 0.96 0.72 -0.17 0.00 0.00 175.17 176.65 3ewl s PHE 7 N -2.42 -0.31 -0.13 -5.34 -0.12 -1.26 -5.07 117.98 103.33 3ewl s PHE 7 Ca 0.46 0.23 -0.07 0.00 -0.05 0.00 0.00 56.93 57.50 3ewl s PHE 7 Cb -0.10 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3ewl s PHE 7 CO 0.36 -0.46 0.13 0.99 -0.05 0.00 0.00 175.22 176.20 3ewl s THR 8 N -2.78 5.45 0.27 -4.49 2.01 -1.26 -4.32 115.64 110.52 3ewl s THR 8 Ca 0.05 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.31 3ewl s THR 8 Cb -0.01 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 3ewl s THR 8 CO -0.07 0.59 -0.06 -0.72 -0.69 0.00 0.00 174.62 173.66 3ewl s TYR 9 N -0.76 1.88 -0.05 4.92 -0.85 0.41 -4.53 117.35 118.36 3ewl s TYR 9 Ca 0.14 -0.71 0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3ewl s TYR 9 Cb -0.12 -1.06 -0.02 0.00 0.38 0.00 0.00 41.96 41.14 3ewl s TYR 9 CO 0.03 0.25 -0.16 0.14 -1.52 0.00 0.00 175.55 174.28 3ewl s VAL 10 N -3.06 2.87 0.96 -3.49 -7.23 0.01 -0.92 120.40 109.55 3ewl s VAL 10 Ca 0.29 -0.79 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 3ewl s VAL 10 Cb 0.04 -2.11 0.19 0.00 0.56 0.00 0.00 36.38 35.06 3ewl s VAL 10 CO 0.11 0.58 1.28 0.42 -0.31 0.00 0.00 175.10 177.19 3ewl s THR 11 N -0.62 1.96 0.48 5.32 -4.23 -0.45 -1.08 115.64 117.02 3ewl s THR 11 Ca 0.09 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.95 3ewl s THR 11 Cb -0.11 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.15 3ewl s THR 11 CO 0.01 0.00 2.19 -0.37 -0.54 0.00 0.00 174.62 175.91 3ewl h VAL 12 N -1.66 0.29 -0.03 2.29 -1.51 -1.92 -1.71 116.25 112.00 3ewl h VAL 12 Ca -0.45 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3ewl h VAL 12 Cb 1.25 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3ewl h VAL 12 CO 0.42 0.04 0.00 1.41 -1.23 0.00 0.00 177.57 178.21 3ewl n HIS 13 N -3.40 0.04 -1.01 5.19 8.25 -1.26 -4.90 115.22 118.12 3ewl n HIS 13 Ca -0.02 -0.02 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3ewl n HIS 13 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 3ewl n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ewl n GLY 14 N 0.85 0.46 3.72 -1.41 0.00 -0.64 -5.02 105.19 103.14 3ewl n GLY 14 Ca 0.14 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ewl n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ewl s ASP 15 N -2.13 7.20 0.19 1.61 1.01 -1.26 -4.78 116.67 118.50 3ewl s ASP 15 Ca 0.00 1.45 -0.07 0.00 0.71 0.00 0.00 52.55 54.64 3ewl s ASP 15 Cb 0.00 -2.50 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 3ewl s ASP 15 CO 0.00 -0.18 0.46 0.54 0.21 0.00 0.00 175.17 176.20 3ewl s ASN 16 N 0.84 6.55 0.30 0.27 6.03 -1.26 -1.34 114.94 126.33 3ewl s ASN 16 Ca 0.45 0.74 -0.01 0.00 -1.03 0.00 0.00 52.86 53.01 3ewl s ASN 16 Cb -0.20 -2.15 0.01 0.00 -3.03 0.00 0.00 41.25 35.88 3ewl s ASN 16 CO 0.24 -0.01 0.41 -1.54 -2.03 0.00 0.00 177.10 174.16 3ewl n SER 17 N -0.05 -1.13 0.00 3.54 3.41 -0.09 -4.97 113.62 114.32 3ewl n SER 17 Ca -0.01 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 3ewl n SER 17 Cb 0.52 2.13 0.00 0.00 -0.26 0.00 0.00 64.21 66.60 3ewl n SER 17 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3ewl n ARG 18 N -0.49 3.65 0.00 4.33 3.00 -1.26 -0.45 116.66 125.44 3ewl n ARG 18 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3ewl n ARG 18 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 3ewl n ARG 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3ewl n SER 20 N 0.00 0.00 0.20 6.15 3.41 -1.26 -4.27 113.62 117.85 3ewl n SER 20 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 3ewl n SER 20 Cb 0.00 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 3ewl n SER 20 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ewl h ARG 21 N 0.00 0.00 -6.61 4.33 3.08 -1.98 -3.44 114.38 109.77 3ewl h ARG 21 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3ewl h ARG 21 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.10 3ewl h ARG 21 CO 0.00 0.31 1.03 -0.51 -1.07 0.00 0.00 179.97 179.73 3ewl s LEU 22 N -7.98 4.38 -0.17 3.04 1.43 -1.26 -4.99 118.68 113.13 3ewl s LEU 22 Ca -0.03 2.82 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 3ewl s LEU 22 Cb 0.14 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 3ewl s LEU 22 CO 0.70 -0.97 -0.12 -0.75 0.23 0.00 0.00 176.35 175.43 3ewl s LYS 23 N 1.66 3.29 -0.09 1.70 2.20 -1.26 -5.06 119.74 122.18 3ewl s LYS 23 Ca 0.76 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 3ewl s LYS 23 Cb -0.48 -2.72 0.11 0.00 -1.51 0.00 0.00 37.83 33.23 3ewl s LYS 23 CO 0.33 0.01 0.92 0.00 -0.36 0.00 0.00 175.35 176.25 3ewl s ALA 24 N 0.87 -1.88 0.34 3.13 0.00 -1.26 -4.95 121.76 118.01 3ewl s ALA 24 Ca -0.03 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.38 3ewl s ALA 24 Cb -0.15 -0.24 0.82 0.00 0.00 0.00 0.00 23.12 23.55 3ewl s ALA 24 CO -0.00 -0.44 1.81 0.37 0.00 0.00 0.00 175.76 177.49 3ewl h GLN 25 N 2.42 0.67 -4.41 0.00 4.15 -1.75 -3.37 115.11 112.82 3ewl h GLN 25 Ca -0.21 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 58.92 3ewl h GLN 25 Cb 1.19 -0.15 -0.21 0.00 0.21 0.00 0.00 27.48 28.51 3ewl h GLN 25 CO 0.32 0.44 -0.73 0.71 -1.93 0.00 0.00 178.83 177.64 3ewl s TYR 26 N -5.74 0.56 0.00 3.99 2.02 -0.87 -1.46 117.35 115.85 3ewl s TYR 26 Ca -0.10 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 3ewl s TYR 26 Cb 0.24 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.46 3ewl s TYR 26 CO 0.80 -0.11 0.00 2.41 -1.57 0.00 0.00 175.55 177.08 3ewl n THR 27 N 1.56 0.00 -3.65 -0.71 -1.04 -0.44 -1.96 114.28 108.05 3ewl n THR 27 Ca -0.23 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.72 3ewl n THR 27 Cb 0.55 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.99 3ewl n THR 27 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ewl s LEU 29 N 0.00 -0.81 -0.32 -4.42 1.43 0.24 -0.02 118.68 114.78 3ewl s LEU 29 Ca 0.00 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 3ewl s LEU 29 Cb 0.00 2.15 0.09 0.00 0.03 0.00 0.00 46.19 48.46 3ewl s LEU 29 CO 0.00 -0.23 0.03 0.12 0.23 0.00 0.00 176.35 176.50 3ewl s PHE 30 N 1.83 3.40 -0.27 0.29 5.36 -0.20 -1.45 117.98 126.95 3ewl s PHE 30 Ca -0.09 -2.70 -0.18 0.00 -0.96 0.00 0.00 56.93 52.99 3ewl s PHE 30 Cb -0.07 -2.58 -0.02 0.00 -0.34 0.00 0.00 43.02 40.01 3ewl s PHE 30 CO -0.18 -0.92 0.54 -0.06 -1.46 0.00 0.00 175.22 173.13 3ewl s PHE 31 N 1.03 3.26 0.21 10.12 0.08 0.27 -0.03 117.98 132.92 3ewl s PHE 31 Ca 0.07 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.75 3ewl s PHE 31 Cb -0.19 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 3ewl s PHE 31 CO -0.09 -0.31 0.10 1.52 -0.10 0.00 0.00 175.22 176.33 3ewl s TYR 32 N 2.36 1.26 -0.06 0.36 -0.85 -1.00 -0.94 117.35 118.49 3ewl s TYR 32 Ca 0.22 -1.26 0.04 0.00 -0.52 0.00 0.00 57.07 55.55 3ewl s TYR 32 Cb -0.16 -0.68 -0.02 0.00 0.38 0.00 0.00 41.96 41.48 3ewl s TYR 32 CO 0.09 -0.47 -0.15 0.34 -1.52 0.00 0.00 175.55 173.84 3ewl s ASP 33 N -3.20 3.96 0.28 -0.18 2.15 -1.26 -4.20 116.67 114.22 3ewl s ASP 33 Ca 0.35 -0.23 0.19 0.00 0.43 0.00 0.00 52.55 53.30 3ewl s ASP 33 Cb 0.07 -0.89 1.02 0.00 -0.30 0.00 0.00 42.92 42.82 3ewl s ASP 33 CO 0.11 0.33 1.60 -0.81 -0.17 0.00 0.00 175.17 176.22 3ewl n PRO 34 N 2.44 0.13 -1.12 4.34 -0.04 -1.26 -2.66 135.00 136.83 3ewl n PRO 34 Ca -0.17 0.59 -0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3ewl n PRO 34 Cb 0.52 -1.90 0.14 0.00 -0.04 0.00 0.00 33.50 32.22 3ewl n PRO 34 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ewl n ASP 35 N -2.17 2.23 -4.52 3.54 8.00 -1.26 -5.03 116.55 117.34 3ewl n ASP 35 Ca -0.01 -3.50 -0.35 0.00 0.71 0.00 0.00 54.79 51.64 3ewl n ASP 35 Cb 0.06 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.59 3ewl n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ewl h SER 37 N 7.43 0.01 0.42 0.00 0.87 -1.93 -2.14 113.55 118.21 3ewl h SER 37 Ca -0.36 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.06 3ewl h SER 37 Cb 1.18 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3ewl h SER 37 CO 0.63 0.66 -0.58 0.78 -0.53 0.00 0.00 176.83 177.79 3ewl h ASN 38 N 0.01 0.19 0.33 6.23 2.35 -1.94 -1.96 115.58 120.79 3ewl h ASN 38 Ca -0.01 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3ewl h ASN 38 Cb 1.16 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3ewl h ASN 38 CO 0.09 0.72 -0.16 0.00 -1.65 0.00 0.00 177.43 176.43 3ewl h ARG 40 N -0.60 0.57 0.21 0.00 2.47 -1.36 -0.03 114.38 115.64 3ewl h ARG 40 Ca -0.05 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3ewl h ARG 40 Cb 0.44 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3ewl h ARG 40 CO 0.07 0.38 -0.10 -0.22 0.56 0.00 0.00 179.97 180.66 3ewl h LYS 41 N 0.58 -0.27 -0.53 0.04 3.64 -1.25 -0.38 116.57 118.40 3ewl h LYS 41 Ca 0.43 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.91 3ewl h LYS 41 Cb 0.58 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 3ewl h LYS 41 CO -0.35 -0.18 0.15 0.35 -2.27 0.00 0.00 179.45 177.15 3ewl h PHE 42 N -0.29 0.25 -0.74 1.91 3.57 -0.60 -1.09 116.94 119.95 3ewl h PHE 42 Ca -0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3ewl h PHE 42 Cb 0.22 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3ewl h PHE 42 CO -0.06 0.04 0.35 0.93 -2.23 0.00 0.00 178.31 177.34 3ewl h GLU 43 N 0.30 1.07 -0.32 1.11 5.08 -0.77 -0.66 114.58 120.40 3ewl h GLU 43 Ca 0.26 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3ewl h GLU 43 Cb 0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ewl h GLU 43 CO -0.30 0.85 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.29 3ewl h LYS 44 N 1.04 0.60 -0.62 2.33 3.64 -0.77 -2.73 116.57 120.06 3ewl h LYS 44 Ca 0.25 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3ewl h LYS 44 Cb 0.13 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3ewl h LYS 44 CO -0.03 0.76 0.08 1.25 -2.27 0.00 0.00 179.45 179.24 3ewl h LEU 45 N 0.38 0.98 -0.48 5.20 5.85 -0.92 -3.07 115.31 123.26 3ewl h LEU 45 Ca 0.09 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ewl h LEU 45 Cb 0.52 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ewl h LEU 45 CO 0.03 0.99 0.26 0.15 -0.34 0.00 0.00 178.44 179.53 3ewl h PHE 46 N 0.96 0.65 0.00 1.25 3.57 -1.03 -1.11 116.94 121.24 3ewl h PHE 46 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3ewl h PHE 46 Cb 0.44 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3ewl h PHE 46 CO 0.03 0.49 0.02 0.00 -2.23 0.00 0.00 178.31 176.62 3ewl n ALA 47 N -2.28 1.01 -0.37 2.41 0.00 -1.04 -1.66 120.51 118.59 3ewl n ALA 47 Ca 0.02 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3ewl n ALA 47 Cb 0.08 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.58 3ewl n ALA 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ewl n GLU 48 N -2.23 2.74 -3.69 0.00 1.02 -0.42 -4.72 120.64 113.34 3ewl n GLU 48 Ca -0.01 -2.66 -0.38 0.00 -0.02 0.00 0.00 57.16 54.09 3ewl n GLU 48 Cb 0.05 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 3ewl n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ewl s ILE 49 N -1.00 3.79 0.37 -3.67 -1.09 -0.66 -4.97 121.20 113.97 3ewl s ILE 49 Ca 0.49 -2.55 0.13 0.00 -2.23 0.00 0.00 60.65 56.48 3ewl s ILE 49 Cb 0.25 -3.49 0.35 0.00 -1.58 0.00 0.00 42.46 37.99 3ewl s ILE 49 CO 0.33 -0.83 1.84 -0.65 -1.23 0.00 0.00 174.94 174.40 3ewl h PRO 50 N 7.52 0.55 -0.49 2.79 0.11 -1.85 -0.24 132.00 140.39 3ewl h PRO 50 Ca -0.06 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3ewl h PRO 50 Cb 1.00 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3ewl h PRO 50 CO 0.73 0.37 0.11 0.00 -0.21 0.00 0.00 178.00 179.00 3ewl h ALA 51 N 1.61 1.27 -0.18 -0.75 0.00 -1.95 -1.41 119.26 117.85 3ewl h ALA 51 Ca 0.49 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3ewl h ALA 51 Cb 0.99 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ewl h ALA 51 CO -0.23 0.51 -0.25 0.74 0.00 0.00 0.00 179.25 180.02 3ewl h PHE 52 N 0.73 0.60 -0.76 0.00 -1.00 -1.38 -3.19 116.94 111.93 3ewl h PHE 52 Ca 0.16 -0.20 0.05 0.00 2.81 0.00 0.00 57.97 60.79 3ewl h PHE 52 Cb 0.28 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.67 3ewl h PHE 52 CO 0.01 0.88 0.47 0.28 -1.61 0.00 0.00 178.31 178.35 3ewl h VAL 53 N 0.14 1.05 0.00 -0.55 2.07 -1.22 -1.93 116.25 115.81 3ewl h VAL 53 Ca 0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3ewl h VAL 53 Cb 0.81 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3ewl h VAL 53 CO 0.06 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 175.97 3ewl n GLU 54 N -4.67 0.61 0.00 1.57 0.28 -0.55 -1.46 120.64 116.42 3ewl n GLU 54 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 3ewl n GLU 54 Cb 0.14 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 31.81 3ewl n GLU 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3ewl n VAL 56 N 1.32 0.00 -0.01 3.84 0.31 -0.73 -0.79 118.33 122.27 3ewl n VAL 56 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3ewl n VAL 56 Cb 0.30 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 3ewl n VAL 56 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ewl h GLU 57 N 0.00 -0.03 -0.00 5.55 5.08 -1.54 -2.90 114.58 120.74 3ewl h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ewl h GLU 57 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ewl h GLU 57 CO 0.00 -0.02 0.00 0.27 -1.00 0.00 0.00 179.01 178.26 3ewl n ASN 58 N -5.19 0.00 0.00 1.42 0.23 0.03 -4.89 115.26 106.87 3ewl n ASN 58 Ca -0.04 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 3ewl n ASN 58 Cb 0.12 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3ewl n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ewl n GLY 59 N 0.82 0.52 0.29 4.83 0.00 -1.10 -4.89 105.19 105.66 3ewl n GLY 59 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3ewl n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ewl h THR 60 N 0.00 1.24 -3.16 2.61 2.02 -1.87 -3.40 112.91 110.35 3ewl h THR 60 Ca 0.00 -0.98 -0.61 0.00 0.77 0.00 0.00 66.41 65.59 3ewl h THR 60 Cb 0.13 0.86 -0.36 0.00 -1.74 0.00 0.00 68.15 67.04 3ewl h THR 60 CO 0.00 0.35 -0.83 -0.22 0.37 0.00 0.00 175.52 175.19 3ewl s LEU 61 N -9.18 1.80 -0.12 2.58 2.96 -1.26 -2.05 118.68 113.41 3ewl s LEU 61 Ca -0.09 -0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 53.12 3ewl s LEU 61 Cb 0.15 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3ewl s LEU 61 CO 0.81 -0.07 0.33 -0.60 -1.32 0.00 0.00 176.35 175.50 3ewl s ARG 62 N 1.46 4.12 -0.18 1.98 6.06 -0.83 -3.91 118.95 127.66 3ewl s ARG 62 Ca 0.04 0.20 -0.01 0.00 -2.50 0.00 0.00 55.73 53.46 3ewl s ARG 62 Cb -0.13 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.52 3ewl s ARG 62 CO -0.10 0.37 -0.13 0.08 -2.50 0.00 0.00 175.30 173.02 3ewl s VAL 63 N 0.02 2.74 -0.30 7.11 1.01 -1.26 -4.30 120.40 125.42 3ewl s VAL 63 Ca 0.19 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3ewl s VAL 63 Cb -0.14 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.12 3ewl s VAL 63 CO 0.07 0.50 -0.01 -0.22 0.00 0.00 0.00 175.10 175.43 3ewl s LEU 64 N 1.07 4.02 -0.23 3.92 2.96 -1.26 -1.48 118.68 127.67 3ewl s LEU 64 Ca -0.00 -1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 52.19 3ewl s LEU 64 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3ewl s LEU 64 CO -0.04 -0.28 0.43 0.00 -1.32 0.00 0.00 176.35 175.14 3ewl s ALA 65 N 1.12 3.56 -0.11 5.97 0.00 -0.15 -1.04 121.76 131.12 3ewl s ALA 65 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3ewl s ALA 65 Cb -0.20 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.21 3ewl s ALA 65 CO -0.04 -0.49 -0.15 0.42 0.00 0.00 0.00 175.76 175.50 3ewl s ILE 66 N 1.73 1.50 -0.24 0.00 -1.09 0.96 -0.20 121.20 123.86 3ewl s ILE 66 Ca 0.19 -0.65 -0.19 0.00 -2.23 0.00 0.00 60.65 57.77 3ewl s ILE 66 Cb -0.15 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.34 3ewl s ILE 66 CO 0.09 0.44 0.58 -0.47 -1.23 0.00 0.00 174.94 174.34 3ewl s TYR 67 N 0.96 3.30 -1.63 3.97 5.04 -0.16 -2.38 117.35 126.45 3ewl s TYR 67 Ca -0.07 0.76 0.24 0.00 -2.44 0.00 0.00 57.07 55.56 3ewl s TYR 67 Cb -0.15 -2.77 0.26 0.00 0.35 0.00 0.00 41.96 39.65 3ewl s TYR 67 CO -0.01 -0.27 1.25 -0.35 -1.34 0.00 0.00 175.55 174.83 3ewl n PRO 68 N 5.46 0.72 0.00 4.97 -0.04 -1.26 -2.07 135.00 142.79 3ewl n PRO 68 Ca -0.02 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 3ewl n PRO 68 Cb 0.49 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3ewl n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ewl n ASP 69 N -0.67 0.00 -0.00 3.54 8.00 -1.26 -4.73 116.55 121.42 3ewl n ASP 69 Ca 0.09 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.66 3ewl n ASP 69 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 3ewl n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ewl n GLU 70 N 0.00 1.72 -3.04 -1.24 1.02 -1.26 -4.86 120.64 112.97 3ewl n GLU 70 Ca 0.00 -0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.65 3ewl n GLU 70 Cb 0.00 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3ewl n GLU 70 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ewl s ASN 71 N -2.77 6.50 0.23 1.62 3.84 -1.26 -4.89 114.94 118.22 3ewl s ASN 71 Ca 0.02 -1.91 -0.06 0.00 0.21 0.00 0.00 52.86 51.12 3ewl s ASN 71 Cb 0.10 -2.34 0.38 0.00 -0.55 0.00 0.00 41.25 38.85 3ewl s ASN 71 CO 0.59 -1.02 1.75 -0.09 -2.79 0.00 0.00 177.10 175.54 3ewl h ARG 72 N 8.80 0.49 -0.77 0.43 2.43 -2.00 -2.58 114.38 121.19 3ewl h ARG 72 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3ewl h ARG 72 Cb 1.05 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 3ewl h ARG 72 CO 1.05 0.33 0.43 0.93 -1.51 0.00 0.00 179.97 181.19 3ewl h GLU 73 N 0.51 1.08 -0.86 0.20 5.08 -2.01 0.14 114.58 118.72 3ewl h GLU 73 Ca 0.37 -0.12 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 3ewl h GLU 73 Cb 0.49 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3ewl h GLU 73 CO -0.33 0.80 0.55 1.49 -1.00 0.00 0.00 179.01 180.52 3ewl h GLU 74 N 1.07 0.74 0.05 2.33 4.57 -1.89 -3.32 114.58 118.13 3ewl h GLU 74 Ca 0.27 -0.04 -0.27 0.00 -1.18 0.00 0.00 59.36 58.14 3ewl h GLU 74 Cb 0.03 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3ewl h GLU 74 CO -0.04 0.49 -1.44 2.35 -1.18 0.00 0.00 179.01 179.18 3ewl h TRP 75 N 0.76 0.19 -0.41 0.92 7.01 -0.86 -3.39 115.95 120.16 3ewl h TRP 75 Ca 0.41 -0.14 -0.08 0.00 2.11 0.00 0.00 58.89 61.20 3ewl h TRP 75 Cb 0.53 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3ewl h TRP 75 CO -0.00 1.57 -0.04 0.00 -2.79 0.00 0.00 178.44 177.18 3ewl h ALA 76 N -0.27 0.56 0.00 2.65 0.00 -0.90 -2.21 119.26 119.09 3ewl h ALA 76 Ca -0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3ewl h ALA 76 Cb 1.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3ewl h ALA 76 CO -0.09 0.38 -0.20 1.79 0.00 0.00 0.00 179.25 181.12 3ewl h THR 77 N 0.58 0.09 0.00 0.00 1.35 -1.82 -2.86 112.91 110.25 3ewl h THR 77 Ca 0.11 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 3ewl h THR 77 Cb 0.54 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3ewl h THR 77 CO 0.03 0.05 -0.01 0.11 -0.25 0.00 0.00 175.52 175.45 3ewl h LYS 78 N 0.00 0.00 -0.95 4.72 1.79 -1.71 -3.35 116.57 117.07 3ewl h LYS 78 Ca -0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 3ewl h LYS 78 Cb 1.04 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.61 3ewl h LYS 78 CO 0.01 0.00 0.60 0.00 -1.08 0.00 0.00 179.45 178.98 3ewl h ALA 79 N 2.32 1.86 -0.23 3.86 0.00 -1.15 -1.58 119.26 124.33 3ewl h ALA 79 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ewl h ALA 79 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ewl h ALA 79 CO 0.00 -0.16 0.19 0.28 0.00 0.00 0.00 179.25 179.56 3ewl h VAL 80 N 0.67 0.73 -1.87 0.00 2.07 -1.77 -3.46 116.25 112.61 3ewl h VAL 80 Ca 0.51 0.00 -0.75 0.00 0.82 0.00 0.00 66.70 67.29 3ewl h VAL 80 Cb 0.91 0.86 -0.17 0.00 -1.52 0.00 0.00 31.29 31.37 3ewl h VAL 80 CO -0.27 0.00 1.61 -1.22 0.02 0.00 0.00 177.57 177.71 3ewl n TYR 81 N -4.23 4.17 -3.22 1.57 4.01 -0.60 -5.06 117.16 113.80 3ewl n TYR 81 Ca 0.03 -3.13 -0.31 0.00 -0.16 0.00 0.00 57.90 54.32 3ewl n TYR 81 Cb 0.34 -2.09 -0.05 0.00 -0.31 0.00 0.00 39.34 37.23 3ewl n TYR 81 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3ewl s PRO 83 N 1.06 3.84 0.09 -0.72 0.02 -1.26 -5.16 135.00 132.86 3ewl s PRO 83 Ca 0.41 0.40 -0.36 0.00 0.02 0.00 0.00 61.00 61.47 3ewl s PRO 83 Cb 0.02 -2.53 -0.15 0.00 0.02 0.00 0.00 34.50 31.85 3ewl s PRO 83 CO 0.00 0.19 1.48 0.94 -0.33 0.00 0.00 177.00 179.28 3ewl n GLN 84 N -0.53 1.57 -0.48 5.54 -0.06 -1.26 -2.51 117.38 119.66 3ewl n GLN 84 Ca 0.01 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 3ewl n GLN 84 Cb 0.53 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 3ewl n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ewl n GLY 85 N 3.03 1.55 3.73 1.69 0.00 -1.26 -4.98 105.19 108.96 3ewl n GLY 85 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3ewl n GLY 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ewl s TRP 86 N -3.04 3.52 0.04 1.61 0.52 -1.04 -4.73 118.94 115.82 3ewl s TRP 86 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 56.10 57.33 3ewl s TRP 86 Cb 0.00 -3.34 -0.05 0.00 -1.15 0.00 0.00 33.47 28.93 3ewl s TRP 86 CO 0.00 -0.86 1.23 0.42 0.02 0.00 0.00 176.95 177.76 3ewl s ILE 87 N 0.01 4.00 -0.22 2.03 1.01 -0.55 -4.94 121.20 122.55 3ewl s ILE 87 Ca 0.52 1.42 -0.05 0.00 0.00 0.00 0.00 60.65 62.54 3ewl s ILE 87 Cb -0.30 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3ewl s ILE 87 CO 0.35 0.08 -0.00 -0.69 0.00 0.00 0.00 174.94 174.67 3ewl s VAL 88 N 1.37 3.79 0.25 2.92 1.01 -1.26 -0.98 120.40 127.50 3ewl s VAL 88 Ca 0.59 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3ewl s VAL 88 Cb -0.29 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3ewl s VAL 88 CO 0.28 0.41 0.03 -0.83 0.00 0.00 0.00 175.10 174.98 3ewl s GLY 89 N 1.28 1.65 -0.08 4.51 0.00 0.73 -4.30 107.32 111.11 3ewl s GLY 89 Ca 0.04 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.94 3ewl s GLY 89 CO 0.00 -1.67 -0.08 0.86 0.00 0.00 0.00 173.10 172.22 3ewl s TRP 90 N -3.48 1.29 -1.38 1.90 -0.00 -0.24 -0.99 118.94 116.03 3ewl s TRP 90 Ca 0.31 -0.54 -0.15 0.00 -0.00 0.00 0.00 56.10 55.72 3ewl s TRP 90 Cb 0.07 -1.05 0.06 0.00 -0.00 0.00 0.00 33.47 32.55 3ewl s TRP 90 CO 0.10 -0.37 2.01 -1.71 -0.00 0.00 0.00 176.95 176.98 3ewl n ASN 91 N 4.46 4.37 0.13 5.86 5.15 -0.88 -0.81 115.26 133.54 3ewl n ASN 91 Ca -0.17 -2.89 0.06 0.00 -0.60 0.00 0.00 54.58 50.98 3ewl n ASN 91 Cb 0.51 -1.67 0.54 0.00 -0.53 0.00 0.00 39.78 38.62 3ewl n ASN 91 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3ewl h LYS 92 N 6.56 0.26 0.00 1.20 3.64 -1.86 -0.97 116.57 125.40 3ewl h LYS 92 Ca 0.51 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.85 3ewl h LYS 92 Cb 0.73 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3ewl h LYS 92 CO 1.70 0.17 -0.09 0.00 -2.27 0.00 0.00 179.45 178.96 3ewl h ALA 93 N 1.87 1.68 0.00 5.00 0.00 -1.85 -3.46 119.26 122.50 3ewl h ALA 93 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ewl h ALA 93 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ewl h ALA 93 CO -0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3ewl n GLY 94 N -1.17 0.52 0.23 0.00 0.00 -0.37 -4.92 105.19 99.48 3ewl n GLY 94 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3ewl n GLY 94 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ewl h ASP 95 N 0.00 0.00 -0.56 1.61 2.03 -1.90 -2.06 116.42 115.54 3ewl h ASP 95 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 3ewl h ASP 95 Cb 0.13 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.61 3ewl h ASP 95 CO 0.00 0.21 0.28 0.40 -1.03 0.00 0.00 179.24 179.11 3ewl h ILE 96 N 0.00 1.20 0.27 4.15 2.04 -1.91 -1.01 117.51 122.25 3ewl h ILE 96 Ca -0.00 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3ewl h ILE 96 Cb 0.68 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3ewl h ILE 96 CO 0.03 0.22 -0.13 0.03 0.00 0.00 0.00 178.15 178.30 3ewl h ARG 97 N 0.76 -0.35 0.00 2.37 2.47 -1.82 -1.96 114.38 115.85 3ewl h ARG 97 Ca 0.19 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.90 3ewl h ARG 97 Cb 0.10 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3ewl h ARG 97 CO -0.03 -0.00 -0.20 1.79 0.56 0.00 0.00 179.97 182.09 3ewl h THR 98 N -0.90 0.86 -0.20 2.04 1.35 -1.34 -2.17 112.91 112.54 3ewl h THR 98 Ca -0.04 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3ewl h THR 98 Cb 0.51 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3ewl h THR 98 CO 0.06 0.20 0.00 0.54 -0.25 0.00 0.00 175.52 176.07 3ewl n ARG 99 N -3.89 1.78 -3.92 4.72 1.74 -0.39 -4.97 116.66 111.73 3ewl n ARG 99 Ca -0.02 -1.72 -0.26 0.00 -0.77 0.00 0.00 57.85 55.09 3ewl n ARG 99 Cb 0.29 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3ewl n ARG 99 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ewl n GLN 100 N 0.81 -3.78 -0.07 5.56 6.02 -0.80 -4.85 117.38 120.28 3ewl n GLN 100 Ca 0.11 0.46 -0.01 0.00 -0.01 0.00 0.00 57.00 57.56 3ewl n GLN 100 Cb 0.41 -4.78 0.27 0.00 1.02 0.00 0.00 30.24 27.15 3ewl n GLN 100 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ewl h LEU 101 N -1.83 0.62 -8.59 1.08 3.38 -1.58 -3.43 115.31 104.96 3ewl h LEU 101 Ca -0.62 -0.09 -0.49 0.00 0.09 0.00 0.00 57.88 56.76 3ewl h LEU 101 Cb 1.37 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 3ewl h LEU 101 CO 0.63 0.62 -0.80 -0.31 0.09 0.00 0.00 178.44 178.66 3ewl s TYR 102 N -5.19 1.56 -0.97 1.13 2.02 -1.26 -1.89 117.35 112.75 3ewl s TYR 102 Ca -0.09 -0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 55.96 3ewl s TYR 102 Cb 0.16 -0.85 0.10 0.00 -0.40 0.00 0.00 41.96 40.96 3ewl s TYR 102 CO 0.78 0.16 1.26 0.34 -1.57 0.00 0.00 175.55 176.51 3ewl s ASP 103 N -1.95 6.57 -1.02 2.29 2.15 -1.26 -4.88 116.67 118.57 3ewl s ASP 103 Ca 0.04 -1.78 -0.14 0.00 0.43 0.00 0.00 52.55 51.10 3ewl s ASP 103 Cb -0.09 -2.47 0.19 0.00 -0.30 0.00 0.00 42.92 40.25 3ewl s ASP 103 CO 0.04 -1.26 1.12 -0.63 -0.17 0.00 0.00 175.17 174.27 3ewl s ILE 104 N 3.67 5.29 -0.60 4.11 1.01 -1.26 -4.83 121.20 128.60 3ewl s ILE 104 Ca 0.38 -2.46 0.25 0.00 0.00 0.00 0.00 60.65 58.82 3ewl s ILE 104 Cb -0.03 -4.70 0.27 0.00 0.01 0.00 0.00 42.46 38.01 3ewl s ILE 104 CO -0.09 -1.36 1.64 0.08 0.00 0.00 0.00 174.94 175.21 3ewl h ARG 105 N 7.68 0.00 -2.83 2.79 0.11 -1.94 -3.47 114.38 116.72 3ewl h ARG 105 Ca 0.19 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.34 3ewl h ARG 105 Cb 0.96 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.96 3ewl h ARG 105 CO 1.04 0.00 0.29 0.00 0.10 0.00 0.00 179.97 181.40 3ewl s ALA 106 N -3.16 -1.44 -0.16 0.08 0.00 -1.26 -5.13 121.76 110.69 3ewl s ALA 106 Ca 0.08 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 3ewl s ALA 106 Cb 0.10 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 3ewl s ALA 106 CO 0.64 -0.94 0.03 0.95 0.00 0.00 0.00 175.76 176.44 3ewl s THR 107 N -3.71 4.49 0.54 0.00 -4.23 -1.26 -2.80 115.64 108.68 3ewl s THR 107 Ca 0.08 -0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 3ewl s THR 107 Cb -0.04 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.75 3ewl s THR 107 CO -0.00 0.50 1.00 -2.16 -0.54 0.00 0.00 174.62 173.41 3ewl s PRO 108 N 0.15 3.81 -0.08 3.99 0.04 -1.26 -4.49 135.00 137.16 3ewl s PRO 108 Ca 0.03 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.06 3ewl s PRO 108 Cb -0.13 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3ewl s PRO 108 CO 0.01 -0.39 -0.23 0.99 0.04 0.00 0.00 177.00 177.42 3ewl s THR 109 N -2.70 2.17 -0.08 1.26 2.01 -0.12 -4.96 115.64 113.22 3ewl s THR 109 Ca 0.59 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.63 3ewl s THR 109 Cb -0.11 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 3ewl s THR 109 CO 0.36 0.56 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.99 3ewl s ILE 110 N 0.07 1.98 -0.04 1.82 -1.09 -1.26 -0.57 121.20 122.11 3ewl s ILE 110 Ca -0.10 -0.99 0.05 0.00 -2.23 0.00 0.00 60.65 57.38 3ewl s ILE 110 Cb -0.16 -1.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.01 3ewl s ILE 110 CO 0.06 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.80 3ewl s TYR 111 N 0.20 1.95 -0.17 3.97 2.02 -0.53 -0.84 117.35 123.96 3ewl s TYR 111 Ca -0.14 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 55.99 3ewl s TYR 111 Cb -0.16 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3ewl s TYR 111 CO 0.07 -0.16 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.70 3ewl s LEU 112 N -0.12 3.25 0.14 -1.29 2.96 -0.17 -0.59 118.68 122.86 3ewl s LEU 112 Ca -0.01 -0.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.84 3ewl s LEU 112 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3ewl s LEU 112 CO 0.02 0.14 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.24 3ewl s LEU 113 N 0.52 2.63 0.00 -0.68 1.43 0.97 -0.15 118.68 123.40 3ewl s LEU 113 Ca -0.03 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 3ewl s LEU 113 Cb -0.14 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.68 3ewl s LEU 113 CO 0.03 0.16 0.32 -0.90 0.23 0.00 0.00 176.35 176.19 3ewl n ASP 114 N 0.62 0.26 0.19 2.29 5.75 -0.40 -1.33 116.55 123.94 3ewl n ASP 114 Ca -0.15 -1.26 0.16 0.00 -0.01 0.00 0.00 54.79 53.53 3ewl n ASP 114 Cb 0.54 -0.22 0.78 0.00 -1.03 0.00 0.00 41.12 41.18 3ewl n ASP 114 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ewl h GLY 115 N -0.29 0.00 -2.56 6.12 0.00 -1.42 -0.31 103.07 104.62 3ewl h GLY 115 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3ewl h GLY 115 CO 0.10 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.18 3ewl n ARG 116 N -4.05 3.12 -3.26 4.80 5.12 -1.26 -4.78 116.66 116.34 3ewl n ARG 116 Ca 0.01 -2.66 -0.23 0.00 -1.93 0.00 0.00 57.85 53.04 3ewl n ARG 116 Cb 0.29 -1.65 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 3ewl n ARG 116 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3ewl n LYS 117 N 1.20 -5.70 -2.93 5.56 4.76 -0.13 -4.90 118.16 116.03 3ewl n LYS 117 Ca 0.23 0.84 -0.38 0.00 -2.87 0.00 0.00 58.31 56.13 3ewl n LYS 117 Cb 0.70 -5.75 -0.06 0.00 -1.84 0.00 0.00 35.03 28.08 3ewl n LYS 117 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ewl s ARG 118 N -5.96 4.50 -0.03 1.97 0.52 -1.26 -0.64 118.95 118.05 3ewl s ARG 118 Ca 0.41 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.48 3ewl s ARG 118 Cb -0.19 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.24 3ewl s ARG 118 CO 0.51 0.41 1.62 0.08 0.02 0.00 0.00 175.30 177.95 3ewl s VAL 119 N -1.43 3.53 -0.21 3.52 1.01 -1.26 -1.28 120.40 124.28 3ewl s VAL 119 Ca 0.43 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 3ewl s VAL 119 Cb -0.20 -3.47 -0.19 0.00 0.00 0.00 0.00 36.38 32.53 3ewl s VAL 119 CO 0.24 -0.05 0.11 -0.38 0.00 0.00 0.00 175.10 175.02 3ewl n ILE 120 N 5.30 1.57 -4.61 2.22 5.41 0.79 -0.69 119.36 129.35 3ewl n ILE 120 Ca 0.17 -0.22 -0.30 0.00 1.00 0.00 0.00 62.75 63.39 3ewl n ILE 120 Cb 0.43 -1.94 -0.17 0.00 -0.71 0.00 0.00 39.64 37.25 3ewl n ILE 120 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3ewl s LEU 121 N -7.62 1.92 -0.14 1.39 1.43 -0.78 -4.83 118.68 110.06 3ewl s LEU 121 Ca -0.30 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3ewl s LEU 121 Cb 0.08 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3ewl s LEU 121 CO 0.60 0.05 -0.05 -1.59 0.23 0.00 0.00 176.35 175.59 3ewl s LYS 122 N 0.86 3.48 -1.33 1.70 0.00 -1.26 -1.00 119.74 122.19 3ewl s LYS 122 Ca -0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 55.97 55.34 3ewl s LYS 122 Cb -0.15 -2.83 -0.00 0.00 0.00 0.00 0.00 37.83 34.85 3ewl s LYS 122 CO -0.01 0.32 0.60 -3.47 0.00 0.00 0.00 175.35 172.80 3ewl n ASP 123 N 3.27 -1.18 -3.11 0.03 2.03 -0.69 -4.95 116.55 111.94 3ewl n ASP 123 Ca -0.18 -0.90 -0.11 0.00 0.52 0.00 0.00 54.79 54.12 3ewl n ASP 123 Cb 0.53 -3.65 0.06 0.00 -0.72 0.00 0.00 41.12 37.33 3ewl n ASP 123 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3ewl n THR 124 N -4.30 0.00 0.00 5.18 5.66 -0.02 -4.86 114.28 115.95 3ewl n THR 124 Ca -0.29 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 3ewl n THR 124 Cb 0.68 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 3ewl n THR 124 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3ewl n SER 125 N -3.03 0.00 0.00 1.09 3.41 -1.26 -4.26 113.62 109.57 3ewl n SER 125 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3ewl n SER 125 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3ewl n SER 125 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ewl n GLU 127 N 0.00 0.00 0.01 4.33 2.13 -1.26 -0.54 120.64 125.31 3ewl n GLU 127 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3ewl n GLU 127 Cb 0.00 0.00 0.25 0.00 0.27 0.00 0.00 31.44 31.96 3ewl n GLU 127 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3ewl h GLN 128 N 0.00 0.50 -0.23 5.31 4.20 -1.98 -0.09 115.11 122.82 3ewl h GLN 128 Ca 0.00 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3ewl h GLN 128 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3ewl h GLN 128 CO 0.00 0.63 0.09 1.25 -0.67 0.00 0.00 178.83 180.12 3ewl h LEU 129 N 0.47 0.33 -0.05 1.46 6.46 -1.22 0.20 115.31 122.96 3ewl h LEU 129 Ca 0.09 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3ewl h LEU 129 Cb 0.50 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3ewl h LEU 129 CO 0.03 0.42 0.02 0.40 -0.62 0.00 0.00 178.44 178.70 3ewl h ILE 130 N 0.22 1.07 -0.38 4.05 2.04 -1.69 -2.39 117.51 120.43 3ewl h ILE 130 Ca 0.08 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3ewl h ILE 130 Cb 0.20 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3ewl h ILE 130 CO -0.00 0.06 0.17 0.44 0.00 0.00 0.00 178.15 178.81 3ewl h ASP 131 N -0.01 0.22 0.14 1.72 3.32 -0.82 -2.82 116.42 118.16 3ewl h ASP 131 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ewl h ASP 131 Cb 0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ewl h ASP 131 CO -0.00 0.17 -0.07 0.22 -1.72 0.00 0.00 179.24 177.84 3ewl h TYR 132 N 0.35 -0.18 0.00 4.55 3.20 -0.51 -2.51 116.97 121.87 3ewl h TYR 132 Ca 0.17 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ewl h TYR 132 Cb 0.11 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3ewl h TYR 132 CO -0.12 0.07 0.06 -0.07 -1.64 0.00 0.00 178.16 176.47 3ewl h LEU 133 N -0.41 0.00 0.00 2.82 3.38 -1.34 -3.51 115.31 116.25 3ewl h LEU 133 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ewl h LEU 133 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ewl h LEU 133 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56