#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwb s ALA 2 N 0.00 2.58 0.19 3.04 0.00 -1.26 -5.05 121.76 121.26 2wwb s ALA 2 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 2wwb s ALA 2 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2wwb s ALA 2 CO 0.00 -1.03 0.51 0.21 0.00 0.00 0.00 175.76 175.45 2wwb s LYS 3 N -3.50 3.81 0.65 0.00 2.20 -1.26 -5.09 119.74 116.54 2wwb s LYS 3 Ca 0.73 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 56.44 2wwb s LYS 3 Cb -0.25 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2wwb s LYS 3 CO 0.32 0.39 1.15 1.14 -0.36 0.00 0.00 175.35 178.00 2wwb s GLN 4 N -2.53 2.74 0.13 4.03 -2.07 -1.26 -4.93 119.66 115.76 2wwb s GLN 4 Ca 0.43 1.59 -0.21 0.00 -1.82 0.00 0.00 55.36 55.36 2wwb s GLN 4 Cb -0.12 -1.92 0.06 0.00 -1.09 0.00 0.00 33.01 29.93 2wwb s GLN 4 CO 0.21 -1.33 0.53 0.45 -1.32 0.00 0.00 175.29 173.83 2wwb s SER 5 N -2.14 -0.46 0.00 12.60 0.15 -1.26 -5.15 113.70 117.44 2wwb s SER 5 Ca 0.72 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2wwb s SER 5 Cb -0.25 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2wwb s SER 5 CO 0.39 -0.89 0.00 -0.11 1.20 0.00 0.00 173.24 173.83 2wwb n LEU 6 N -0.19 0.00 -4.70 3.45 7.94 -1.26 -5.09 117.00 117.15 2wwb n LEU 6 Ca -0.17 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.31 2wwb n LEU 6 Cb 0.64 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.56 2wwb n LEU 6 CO 0.15 0.00 1.08 -0.62 -1.11 0.00 0.00 177.39 176.89 2wwb s ASP 7 N -2.01 6.86 -0.67 1.96 -1.08 -1.26 -4.95 116.67 115.53 2wwb s ASP 7 Ca 0.00 2.17 0.02 0.00 -0.52 0.00 0.00 52.55 54.22 2wwb s ASP 7 Cb 0.00 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.26 2wwb s ASP 7 CO 0.00 -0.68 1.44 0.52 0.52 0.00 0.00 175.17 176.98 2wwb n VAL 8 N 4.39 3.39 -2.56 1.11 0.31 -1.26 -4.92 118.33 118.80 2wwb n VAL 8 Ca 0.12 -5.03 -0.43 0.00 -0.01 0.00 0.00 64.34 58.99 2wwb n VAL 8 Cb 0.43 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.02 2wwb n VAL 8 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wwb s SER 9 N -2.51 6.52 0.03 4.52 0.01 -1.26 -4.99 113.70 116.02 2wwb s SER 9 Ca 0.48 0.37 -0.07 0.00 1.31 0.00 0.00 55.95 58.04 2wwb s SER 9 Cb 0.36 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 2wwb s SER 9 CO -0.24 -1.37 1.13 -1.28 0.41 0.00 0.00 173.24 171.89 2wwb h SER 10 N 9.58 -0.46 -0.42 2.44 0.87 -2.01 -3.43 113.55 120.12 2wwb h SER 10 Ca -0.24 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2wwb h SER 10 Cb 1.06 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2wwb h SER 10 CO 1.15 -0.07 0.00 -0.67 -0.53 0.00 0.00 176.83 176.70 2wwb n ASP 11 N -3.41 0.00 0.01 6.23 -0.08 -1.26 -4.94 116.55 113.10 2wwb n ASP 11 Ca -0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 2wwb n ASP 11 Cb 0.07 0.00 0.44 0.00 2.34 0.00 0.00 41.12 43.97 2wwb n ASP 11 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wwb n ARG 12 N -1.11 0.04 0.10 -0.67 3.00 -1.26 -2.86 116.66 113.91 2wwb n ARG 12 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 57.85 57.84 2wwb n ARG 12 Cb 0.00 -1.54 0.14 0.00 0.00 0.00 0.00 32.46 31.06 2wwb n ARG 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2wwb h ARG 13 N 0.00 0.17 -0.61 -0.14 2.43 -1.97 -1.25 114.38 113.01 2wwb h ARG 13 Ca 0.00 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2wwb h ARG 13 Cb 0.54 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2wwb h ARG 13 CO 0.00 0.71 0.08 -0.22 -1.51 0.00 0.00 179.97 179.03 2wwb h LYS 14 N 0.13 1.01 -0.39 0.20 1.63 -1.80 -0.69 116.57 116.67 2wwb h LYS 14 Ca -0.01 -0.27 -0.13 0.00 -0.85 0.00 0.00 60.65 59.39 2wwb h LYS 14 Cb 1.08 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 2wwb h LYS 14 CO 0.09 0.95 -0.28 0.00 -3.45 0.00 0.00 179.45 176.76 2wwb h ALA 15 N 1.13 0.78 -0.07 5.00 0.00 -1.58 -3.11 119.26 121.40 2wwb h ALA 15 Ca 0.19 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2wwb h ALA 15 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wwb h ALA 15 CO 0.01 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.56 2wwb h ARG 16 N 0.71 0.15 -0.81 0.00 3.08 -0.93 -1.36 114.38 115.22 2wwb h ARG 16 Ca 0.08 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2wwb h ARG 16 Cb 0.82 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2wwb h ARG 16 CO 0.07 0.49 0.33 0.87 -1.07 0.00 0.00 179.97 180.65 2wwb h LYS 17 N 0.13 1.20 -0.31 0.04 1.57 -1.10 -1.36 116.57 116.74 2wwb h LYS 17 Ca 0.01 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 2wwb h LYS 17 Cb 0.69 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2wwb h LYS 17 CO 0.05 0.97 -0.18 0.00 -0.57 0.00 0.00 179.45 179.72 2wwb h ALA 18 N 1.18 0.44 -0.13 3.86 0.00 -1.40 -2.85 119.26 120.36 2wwb h ALA 18 Ca 0.27 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2wwb h ALA 18 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wwb h ALA 18 CO -0.02 0.37 -0.54 1.88 0.00 0.00 0.00 179.25 180.94 2wwb h TYR 19 N 0.43 0.47 0.00 0.00 0.05 -1.05 -3.40 116.97 113.47 2wwb h TYR 19 Ca 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2wwb h TYR 19 Cb 0.71 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2wwb h TYR 19 CO 0.06 0.83 -0.64 1.19 -1.05 0.00 0.00 178.16 178.56 2wwb n PHE 20 N -3.94 0.00 -2.63 4.88 3.01 -0.53 -4.92 117.46 113.33 2wwb n PHE 20 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2wwb n PHE 20 Cb 0.58 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.09 2wwb n PHE 20 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wwb s THR 21 N -1.40 2.97 -0.43 4.37 2.01 -1.08 -4.83 115.64 117.26 2wwb s THR 21 Ca 0.00 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2wwb s THR 21 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2wwb s THR 21 CO 0.00 -0.11 0.38 0.00 -0.69 0.00 0.00 174.62 174.20 2wwb n ALA 22 N -2.39 -1.49 -0.74 7.40 0.00 -1.26 -4.78 120.51 117.24 2wwb n ALA 22 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wwb n ALA 22 Cb 0.59 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2wwb n ALA 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wwb n PRO 23 N -2.06 1.95 -0.29 0.00 -0.02 -1.26 -3.39 135.00 129.93 2wwb n PRO 23 Ca -0.02 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.74 2wwb n PRO 23 Cb 0.54 -0.94 0.51 0.00 -0.02 0.00 0.00 33.50 33.59 2wwb n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wwb n SER 24 N 2.83 0.28 -1.25 2.55 7.64 -1.26 -1.57 113.62 122.84 2wwb n SER 24 Ca 0.00 1.37 0.12 0.00 1.01 0.00 0.00 58.87 61.37 2wwb n SER 24 Cb 0.00 -0.67 0.28 0.00 -1.01 0.00 0.00 64.21 62.81 2wwb n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2wwb n SER 25 N -4.84 3.66 0.00 6.43 7.64 -1.26 -1.93 113.62 123.32 2wwb n SER 25 Ca 0.33 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2wwb n SER 25 Cb 1.13 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2wwb n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwb n GLN 26 N 1.53 1.03 0.03 1.43 6.02 -0.61 -4.09 117.38 122.73 2wwb n GLN 26 Ca 0.22 -0.92 0.14 0.00 -0.01 0.00 0.00 57.00 56.43 2wwb n GLN 26 Cb 0.60 -0.90 0.54 0.00 1.02 0.00 0.00 30.24 31.49 2wwb n GLN 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wwb n ARG 27 N -0.23 0.07 -0.12 -1.09 5.12 -1.07 -3.64 116.66 115.69 2wwb n ARG 27 Ca 0.00 0.05 0.03 0.00 -1.93 0.00 0.00 57.85 56.01 2wwb n ARG 27 Cb 0.19 -1.58 0.34 0.00 -1.16 0.00 0.00 32.46 30.26 2wwb n ARG 27 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2wwb h ARG 28 N 0.00 0.76 -0.61 5.56 1.12 -1.53 0.26 114.38 119.93 2wwb h ARG 28 Ca 0.00 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.73 2wwb h ARG 28 Cb 0.56 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 2wwb h ARG 28 CO 0.00 0.50 0.01 0.28 -3.11 0.00 0.00 179.97 177.65 2wwb h VAL 29 N 0.78 1.27 -0.40 0.20 2.07 -1.83 -3.22 116.25 115.12 2wwb h VAL 29 Ca 0.24 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2wwb h VAL 29 Cb -0.01 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2wwb h VAL 29 CO -0.06 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.13 2wwb n LEU 30 N -4.18 3.13 -0.73 2.57 4.77 -0.51 -3.36 117.00 118.70 2wwb n LEU 30 Ca 0.03 -1.39 0.08 0.00 -0.03 0.00 0.00 56.01 54.70 2wwb n LEU 30 Cb 0.34 -0.26 0.23 0.00 -2.33 0.00 0.00 43.42 41.40 2wwb n LEU 30 CO 0.44 0.70 0.67 0.18 -1.33 0.00 0.00 177.39 178.05 2wwb n LEU 31 N 1.26 3.56 -4.72 2.23 4.77 0.80 -4.60 117.00 120.30 2wwb n LEU 31 Ca 0.19 -3.10 -0.35 0.00 -0.03 0.00 0.00 56.01 52.72 2wwb n LEU 31 Cb 0.54 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2wwb n LEU 31 CO 0.15 0.73 -0.28 -0.94 -1.33 0.00 0.00 177.39 175.72 2wwb s SER 32 N -2.21 5.48 0.04 -1.43 1.04 -1.21 -1.65 113.70 113.76 2wwb s SER 32 Ca 0.40 0.21 0.05 0.00 0.48 0.00 0.00 55.95 57.08 2wwb s SER 32 Cb 0.33 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 2wwb s SER 32 CO 0.07 0.38 -0.13 0.00 0.98 0.00 0.00 173.24 174.53 2wwb s ALA 33 N -0.86 1.12 0.39 5.32 0.00 -1.23 -4.25 121.76 122.25 2wwb s ALA 33 Ca 0.13 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2wwb s ALA 33 Cb -0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.73 2wwb s ALA 33 CO 0.03 0.20 1.00 -0.35 0.00 0.00 0.00 175.76 176.63 2wwb n PRO 34 N 1.83 1.35 -1.63 0.00 -0.04 -1.26 -3.20 135.00 132.05 2wwb n PRO 34 Ca -0.19 0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 2wwb n PRO 34 Cb 0.55 -1.99 0.16 0.00 -0.04 0.00 0.00 33.50 32.18 2wwb n PRO 34 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wwb s LEU 35 N -0.24 2.07 0.00 1.53 1.43 -0.67 -2.39 118.68 120.42 2wwb s LEU 35 Ca 0.62 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2wwb s LEU 35 Cb -0.59 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2wwb s LEU 35 CO 0.58 -2.77 0.00 -1.54 0.23 0.00 0.00 176.35 172.85 2wwb n SER 36 N -3.87 0.00 -0.00 2.29 3.41 -1.26 -4.83 113.62 109.37 2wwb n SER 36 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2wwb n SER 36 Cb 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2wwb n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wwb n LYS 37 N 0.00 1.16 0.04 4.33 0.00 -1.26 -4.26 118.16 118.17 2wwb n LYS 37 Ca 0.00 -0.01 -0.20 0.00 -0.00 0.00 0.00 58.31 58.10 2wwb n LYS 37 Cb 0.00 -1.04 -0.12 0.00 -0.00 0.00 0.00 35.03 33.87 2wwb n LYS 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2wwb h GLU 38 N 0.00 0.51 0.00 -1.58 3.07 -1.99 -2.74 114.58 111.85 2wwb h GLU 38 Ca -0.01 -0.62 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 2wwb h GLU 38 Cb 0.38 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2wwb h GLU 38 CO 0.00 1.24 -0.68 1.28 -1.40 0.00 0.00 179.01 179.45 2wwb n LEU 39 N -4.02 0.62 -0.12 1.33 4.32 -1.26 -2.29 117.00 115.58 2wwb n LEU 39 Ca -0.12 -0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.66 2wwb n LEU 39 Cb 0.82 -0.18 -0.03 0.00 -1.62 0.00 0.00 43.42 42.42 2wwb n LEU 39 CO 0.52 0.12 0.59 0.03 -1.22 0.00 0.00 177.39 177.43 2wwb h ARG 40 N 0.00 0.84 -0.29 3.23 3.08 -1.74 -3.18 114.38 116.33 2wwb h ARG 40 Ca 0.00 -0.42 -0.14 0.00 0.07 0.00 0.00 59.98 59.49 2wwb h ARG 40 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2wwb h ARG 40 CO 0.00 1.06 -0.41 0.00 -1.07 0.00 0.00 179.97 179.56 2wwb h ALA 41 N 0.76 0.75 -0.73 0.04 0.00 -1.36 0.77 119.26 119.50 2wwb h ALA 41 Ca 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2wwb h ALA 41 Cb 0.88 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2wwb h ALA 41 CO 0.08 0.66 0.29 0.37 0.00 0.00 0.00 179.25 180.64 2wwb h GLN 42 N 0.56 1.08 -0.00 0.00 4.15 -1.52 -3.25 115.11 116.13 2wwb h GLN 42 Ca 0.05 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2wwb h GLN 42 Cb 0.94 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2wwb h GLN 42 CO 0.09 0.88 -0.04 0.66 -1.93 0.00 0.00 178.83 178.49 2wwb n TYR 43 N -4.29 0.00 -0.98 3.99 4.01 -1.20 -5.02 117.16 113.67 2wwb n TYR 43 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2wwb n TYR 43 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2wwb n TYR 43 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wwb n GLY 44 N 0.54 0.67 0.00 2.72 0.00 0.25 -4.99 105.19 104.38 2wwb n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wwb n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwb n ILE 45 N -2.52 0.00 0.00 -0.61 5.41 -1.13 -4.98 119.36 115.53 2wwb n ILE 45 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wwb n ILE 45 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 2wwb n ILE 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wwb n LYS 46 N 0.00 0.00 -3.83 0.38 4.81 -1.26 -4.96 118.16 113.30 2wwb n LYS 46 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2wwb n LYS 46 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 2wwb n LYS 46 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wwb s ALA 47 N -1.74 -0.81 -0.10 3.14 0.00 -1.26 -1.67 121.76 119.32 2wwb s ALA 47 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 2wwb s ALA 47 Cb 0.00 0.90 0.03 0.00 0.00 0.00 0.00 23.12 24.06 2wwb s ALA 47 CO 0.00 -0.86 0.26 -1.17 0.00 0.00 0.00 175.76 174.00 2wwb s LEU 48 N -2.92 0.80 0.12 0.00 2.96 -1.19 -4.87 118.68 113.59 2wwb s LEU 48 Ca 0.13 0.54 -0.33 0.00 -0.22 0.00 0.00 54.13 54.25 2wwb s LEU 48 Cb -0.02 0.88 -0.12 0.00 0.50 0.00 0.00 46.19 47.43 2wwb s LEU 48 CO 0.02 -0.11 1.74 -0.81 -1.32 0.00 0.00 176.35 175.86 2wwb n PRO 49 N 3.32 2.50 -1.89 0.98 -0.04 -1.26 -3.49 135.00 135.12 2wwb n PRO 49 Ca -0.16 0.91 -0.40 0.00 -0.04 0.00 0.00 63.50 63.80 2wwb n PRO 49 Cb 0.57 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2wwb n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wwb s ILE 50 N 2.02 2.26 0.28 0.52 1.01 -0.66 -4.98 121.20 121.65 2wwb s ILE 50 Ca 0.81 0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2wwb s ILE 50 Cb -0.58 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2wwb s ILE 50 CO 0.38 0.04 0.42 -0.60 0.00 0.00 0.00 174.94 175.19 2wwb s ARG 51 N -2.24 3.35 -0.00 2.79 6.06 -1.26 -5.01 118.95 122.65 2wwb s ARG 51 Ca 0.57 -0.76 0.01 0.00 -2.50 0.00 0.00 55.73 53.04 2wwb s ARG 51 Cb -0.43 -2.83 0.03 0.00 0.06 0.00 0.00 34.95 31.77 2wwb s ARG 51 CO 0.56 0.28 0.95 -2.13 -2.50 0.00 0.00 175.30 172.46 2wwb n ARG 52 N -1.54 1.08 0.00 5.12 0.63 -1.26 -3.25 116.66 117.44 2wwb n ARG 52 Ca -0.06 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2wwb n ARG 52 Cb 0.57 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.38 2wwb n ARG 52 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wwb n ASP 53 N -0.35 0.00 -4.77 6.15 8.00 -1.26 -4.22 116.55 120.10 2wwb n ASP 53 Ca 0.01 -0.97 -0.37 0.00 0.71 0.00 0.00 54.79 54.17 2wwb n ASP 53 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2wwb n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2wwb s ASP 54 N 0.00 5.90 -0.04 -2.24 1.01 -1.20 -4.61 116.67 115.49 2wwb s ASP 54 Ca 0.00 2.31 0.02 0.00 0.71 0.00 0.00 52.55 55.59 2wwb s ASP 54 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2wwb s ASP 54 CO 0.00 -1.10 -0.07 -1.61 0.21 0.00 0.00 175.17 172.60 2wwb s GLU 55 N -2.92 2.67 -0.08 8.23 2.02 -0.23 -3.31 118.70 125.09 2wwb s GLU 55 Ca 0.68 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.95 2wwb s GLU 55 Cb -0.28 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2wwb s GLU 55 CO 0.33 0.64 0.26 0.08 0.02 0.00 0.00 175.26 176.59 2wwb s VAL 56 N -0.89 0.02 0.05 2.63 1.01 -0.90 -1.19 120.40 121.13 2wwb s VAL 56 Ca 0.14 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2wwb s VAL 56 Cb -0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2wwb s VAL 56 CO 0.04 -0.08 -0.21 -1.48 0.00 0.00 0.00 175.10 173.37 2wwb s LEU 57 N -0.24 2.46 0.08 3.92 -0.00 -0.52 -1.95 118.68 122.42 2wwb s LEU 57 Ca -0.04 -0.51 -0.21 0.00 -0.00 0.00 0.00 54.13 53.37 2wwb s LEU 57 Cb -0.03 -1.43 -0.07 0.00 -0.00 0.00 0.00 46.19 44.67 2wwb s LEU 57 CO 0.01 0.25 0.62 -0.69 -0.00 0.00 0.00 176.35 176.54 2wwb s VAL 58 N -0.91 4.69 0.00 1.48 1.01 -0.80 -2.11 120.40 123.76 2wwb s VAL 58 Ca 0.14 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2wwb s VAL 58 Cb -0.10 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2wwb s VAL 58 CO 0.05 0.52 0.00 0.52 0.00 0.00 0.00 175.10 176.18 2wwb n VAL 59 N 1.90 0.00 -3.36 2.92 0.31 -0.93 -2.87 118.33 116.31 2wwb n VAL 59 Ca -0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.99 2wwb n VAL 59 Cb 0.50 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 2wwb n VAL 59 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wwb n ARG 60 N -1.92 1.50 0.00 5.55 5.12 -1.00 -4.80 116.66 121.10 2wwb n ARG 60 Ca 0.00 -3.91 0.00 0.00 -1.93 0.00 0.00 57.85 52.01 2wwb n ARG 60 Cb 0.36 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2wwb n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wwb n GLY 61 N 1.34 4.21 0.87 -0.13 0.00 -1.26 -4.94 105.19 105.28 2wwb n GLY 61 Ca 0.25 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2wwb n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wwb n SER 62 N 0.00 2.81 -1.43 1.61 3.41 -1.26 -4.26 113.62 114.50 2wwb n SER 62 Ca 0.00 -1.90 -0.12 0.00 -0.26 0.00 0.00 58.87 56.59 2wwb n SER 62 Cb 0.00 0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.10 2wwb n SER 62 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wwb n LYS 63 N 1.17 2.66 0.00 4.33 4.76 -1.26 -4.97 118.16 124.85 2wwb n LYS 63 Ca 0.13 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.85 2wwb n LYS 63 Cb 0.55 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2wwb n LYS 63 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2wwb n LYS 64 N -0.91 0.76 -2.68 1.97 0.00 -1.26 -4.08 118.16 111.95 2wwb n LYS 64 Ca 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.60 2wwb n LYS 64 Cb 0.86 -1.37 0.05 0.00 -0.00 0.00 0.00 35.03 34.58 2wwb n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wwb n GLY 65 N 0.14 -0.03 3.23 2.58 0.00 -1.14 -3.97 105.19 106.01 2wwb n GLY 65 Ca 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2wwb n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wwb s GLN 66 N 0.11 1.51 0.52 1.61 -2.07 -1.26 -4.94 119.66 115.14 2wwb s GLN 66 Ca 0.13 -0.82 -0.01 0.00 -1.82 0.00 0.00 55.36 52.84 2wwb s GLN 66 Cb 0.22 -1.53 0.01 0.00 -1.09 0.00 0.00 33.01 30.62 2wwb s GLN 66 CO -0.06 0.41 0.76 -1.21 -1.32 0.00 0.00 175.29 173.87 2wwb s GLU 67 N -0.80 2.85 0.00 9.60 2.02 -1.26 -1.91 118.70 129.21 2wwb s GLU 67 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2wwb s GLU 67 Cb -0.08 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2wwb s GLU 67 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2wwb n GLY 68 N -2.30 2.26 3.75 -1.39 0.00 -0.82 -4.86 105.19 101.84 2wwb n GLY 68 Ca 0.04 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 2wwb n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwb s LYS 69 N -2.00 3.15 -0.30 1.61 1.02 -1.26 -2.12 119.74 119.84 2wwb s LYS 69 Ca 0.00 2.09 -0.27 0.00 0.02 0.00 0.00 55.97 57.81 2wwb s LYS 69 Cb 0.00 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2wwb s LYS 69 CO 0.00 -1.14 0.95 0.42 -0.92 0.00 0.00 175.35 174.67 2wwb s ILE 70 N -1.39 4.65 0.16 2.17 1.01 -1.21 -1.48 121.20 125.11 2wwb s ILE 70 Ca 0.72 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.94 2wwb s ILE 70 Cb -0.37 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 37.66 2wwb s ILE 70 CO 0.43 -0.34 1.37 0.77 0.00 0.00 0.00 174.94 177.17 2wwb h SER 71 N 8.01 0.35 -4.86 3.58 4.64 -1.63 -3.40 113.55 120.24 2wwb h SER 71 Ca -0.22 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2wwb h SER 71 Cb 1.07 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 62.92 2wwb h SER 71 CO 0.96 1.06 0.31 -0.55 -0.87 0.00 0.00 176.83 177.74 2wwb s SER 72 N -6.97 -0.50 -0.12 4.97 0.15 -1.20 -5.00 113.70 105.02 2wwb s SER 72 Ca -0.04 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.57 2wwb s SER 72 Cb 0.10 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2wwb s SER 72 CO 0.84 -0.82 0.30 0.54 1.20 0.00 0.00 173.24 175.30 2wwb s VAL 73 N -3.35 -0.01 -0.17 4.45 0.11 -1.26 -0.99 120.40 119.16 2wwb s VAL 73 Ca 0.02 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2wwb s VAL 73 Cb -0.01 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2wwb s VAL 73 CO -0.10 0.02 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.35 2wwb s TYR 74 N 0.64 3.02 0.08 1.54 1.51 -0.38 -4.97 117.35 118.79 2wwb s TYR 74 Ca -0.04 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.47 2wwb s TYR 74 Cb -0.05 -2.01 -0.12 0.00 -0.11 0.00 0.00 41.96 39.67 2wwb s TYR 74 CO -0.04 -0.13 1.36 0.07 -1.11 0.00 0.00 175.55 175.70 2wwb h ARG 75 N 7.04 0.60 0.00 -0.62 0.11 -1.98 -1.89 114.38 117.64 2wwb h ARG 75 Ca -0.33 -0.36 -0.08 0.00 0.10 0.00 0.00 59.98 59.31 2wwb h ARG 75 Cb 1.19 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2wwb h ARG 75 CO 0.62 0.96 -0.40 -0.07 0.10 0.00 0.00 179.97 181.18 2wwb h LEU 76 N 0.29 0.00 -0.23 0.08 4.07 -1.95 -3.17 115.31 114.39 2wwb h LEU 76 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2wwb h LEU 76 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2wwb h LEU 76 CO 0.07 0.40 -0.72 1.17 -1.08 0.00 0.00 178.44 178.29 2wwb n LYS 77 N -3.68 1.28 -4.12 1.13 4.81 -1.23 -4.93 118.16 111.43 2wwb n LYS 77 Ca -0.01 -0.22 -0.28 0.00 -0.87 0.00 0.00 58.31 56.93 2wwb n LYS 77 Cb 0.49 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 34.16 2wwb n LYS 77 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2wwb n PHE 78 N -1.09 -1.50 -3.79 5.64 1.16 -0.72 -4.97 117.46 112.19 2wwb n PHE 78 Ca 0.04 0.70 -0.13 0.00 -1.87 0.00 0.00 57.45 56.20 2wwb n PHE 78 Cb 0.30 -3.31 -0.09 0.00 -1.61 0.00 0.00 39.48 34.77 2wwb n PHE 78 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wwb s ALA 79 N -4.05 -0.66 -0.10 1.98 0.00 -1.14 -4.53 121.76 113.26 2wwb s ALA 79 Ca 0.07 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2wwb s ALA 79 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2wwb s ALA 79 CO 0.93 -0.22 -0.17 0.08 0.00 0.00 0.00 175.76 176.38 2wwb s VAL 80 N -1.04 2.76 -0.07 0.00 1.01 -0.52 -1.25 120.40 121.29 2wwb s VAL 80 Ca -0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 2wwb s VAL 80 Cb -0.05 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2wwb s VAL 80 CO 0.03 0.55 0.22 -1.58 0.00 0.00 0.00 175.10 174.32 2wwb s GLN 81 N 0.04 3.57 -0.06 2.72 0.74 -0.16 -0.95 119.66 125.56 2wwb s GLN 81 Ca -0.06 -0.00 0.05 0.00 0.05 0.00 0.00 55.36 55.40 2wwb s GLN 81 Cb -0.15 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 2wwb s GLN 81 CO 0.05 0.74 -0.22 0.08 -0.55 0.00 0.00 175.29 175.39 2wwb s VAL 82 N -1.09 2.37 -0.22 1.34 1.01 -1.26 -1.87 120.40 120.68 2wwb s VAL 82 Ca 0.19 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2wwb s VAL 82 Cb -0.13 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2wwb s VAL 82 CO 0.08 0.57 1.25 -0.62 0.00 0.00 0.00 175.10 176.39 2wwb s ASP 83 N -0.26 6.87 0.00 3.32 2.15 -0.55 -4.41 116.67 123.79 2wwb s ASP 83 Ca -0.00 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.48 2wwb s ASP 83 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2wwb s ASP 83 CO 0.03 -0.86 0.00 2.29 -0.17 0.00 0.00 175.17 176.46 2wwb n LYS 84 N 6.81 0.00 0.00 4.34 2.85 -1.26 -4.33 118.16 126.58 2wwb n LYS 84 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2wwb n LYS 84 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 2wwb n LYS 84 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2wwb n VAL 85 N 0.00 0.00 -2.88 0.58 0.24 -1.26 -5.05 118.33 109.95 2wwb n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wwb n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wwb n VAL 85 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2wwb n THR 86 N 0.08 0.00 0.00 3.34 5.66 -1.24 -4.82 114.28 117.29 2wwb n THR 86 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wwb n THR 86 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2wwb n THR 86 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2wwb n LYS 87 N -0.98 0.00 -2.65 1.09 3.00 -1.26 -4.95 118.16 112.40 2wwb n LYS 87 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2wwb n LYS 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2wwb n LYS 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2wwb s GLU 88 N 0.00 4.12 0.14 1.64 1.03 -1.26 -3.86 118.70 120.51 2wwb s GLU 88 Ca 0.00 1.33 0.04 0.00 0.03 0.00 0.00 54.97 56.37 2wwb s GLU 88 Cb 0.00 -2.33 -0.04 0.00 -0.80 0.00 0.00 34.13 30.97 2wwb s GLU 88 CO 0.00 -0.15 0.15 0.15 -1.33 0.00 0.00 175.26 174.08 2wwb s LYS 89 N -2.88 3.01 0.49 -4.83 3.01 -0.22 -5.04 119.74 113.29 2wwb s LYS 89 Ca 0.61 -0.77 0.22 0.00 -1.01 0.00 0.00 55.97 55.03 2wwb s LYS 89 Cb -0.16 -2.73 1.26 0.00 -1.01 0.00 0.00 37.83 35.18 2wwb s LYS 89 CO 0.20 0.51 2.03 -0.39 0.51 0.00 0.00 175.35 178.21 2wwb h VAL 90 N 2.09 0.79 -0.38 3.17 -1.51 -1.98 -2.63 116.25 115.80 2wwb h VAL 90 Ca -0.47 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2wwb h VAL 90 Cb 1.19 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 2wwb h VAL 90 CO 0.65 0.16 0.00 -0.46 -1.23 0.00 0.00 177.57 176.69 2wwb n ASN 91 N -3.87 2.58 0.00 4.19 6.94 -1.26 -4.86 115.26 118.97 2wwb n ASN 91 Ca -0.02 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 2wwb n ASN 91 Cb 0.26 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 2wwb n ASN 91 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wwb n GLY 92 N 1.30 1.01 3.62 4.83 0.00 -0.99 -5.05 105.19 109.91 2wwb n GLY 92 Ca 0.17 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2wwb n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwb s ALA 93 N -2.00 3.36 0.21 4.61 0.00 -1.21 -4.97 121.76 121.75 2wwb s ALA 93 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2wwb s ALA 93 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2wwb s ALA 93 CO 0.00 -1.79 -0.15 -1.12 0.00 0.00 0.00 175.76 172.70 2wwb s SER 94 N 2.05 2.69 0.18 0.00 0.01 -1.26 -1.05 113.70 116.31 2wwb s SER 94 Ca 0.47 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.80 2wwb s SER 94 Cb -0.11 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 2wwb s SER 94 CO 0.22 -0.13 -0.13 0.68 0.41 0.00 0.00 173.24 174.29 2wwb s VAL 95 N -2.79 1.52 -0.02 3.43 -7.23 -1.25 -5.01 120.40 109.05 2wwb s VAL 95 Ca 0.22 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2wwb s VAL 95 Cb -0.02 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.95 2wwb s VAL 95 CO 0.08 -0.65 -0.01 -0.65 -0.31 0.00 0.00 175.10 173.55 2wwb h PRO 96 N 2.64 0.00 -2.11 4.82 0.11 -1.95 -3.41 132.00 132.10 2wwb h PRO 96 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wwb h PRO 96 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wwb h PRO 96 CO 0.63 0.00 -0.27 -0.89 -0.21 0.00 0.00 178.00 177.25 2wwb n ILE 97 N -2.64 -5.29 -4.22 4.15 5.41 -1.26 -3.68 119.36 111.83 2wwb n ILE 97 Ca -0.01 0.96 -0.18 0.00 1.00 0.00 0.00 62.75 64.52 2wwb n ILE 97 Cb 0.02 -3.19 -0.11 0.00 -0.71 0.00 0.00 39.64 35.65 2wwb n ILE 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2wwb s ASN 98 N -0.15 1.91 0.21 4.38 0.02 -1.26 -4.27 114.94 115.78 2wwb s ASN 98 Ca 0.00 -0.75 -0.04 0.00 -1.02 0.00 0.00 52.86 51.05 2wwb s ASN 98 Cb 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 41.25 41.18 2wwb s ASN 98 CO 0.00 -0.12 0.23 -0.76 0.02 0.00 0.00 177.10 176.46 2wwb s LEU 99 N -2.23 0.94 -0.09 0.60 1.43 -0.12 -4.93 118.68 114.28 2wwb s LEU 99 Ca 0.06 -1.27 0.04 0.00 -1.03 0.00 0.00 54.13 51.92 2wwb s LEU 99 Cb -0.06 0.75 0.00 0.00 0.03 0.00 0.00 46.19 46.91 2wwb s LEU 99 CO 0.03 -0.92 -0.21 -2.28 0.23 0.00 0.00 176.35 173.19 2wwb s HIS 100 N -4.11 2.26 0.48 0.29 5.65 -1.26 -1.44 115.29 117.16 2wwb s HIS 100 Ca 0.35 -0.91 0.31 0.00 0.25 0.00 0.00 55.06 55.06 2wwb s HIS 100 Cb 0.05 -1.54 1.70 0.00 -1.18 0.00 0.00 32.58 31.61 2wwb s HIS 100 CO 0.11 -0.38 2.16 -1.35 -0.65 0.00 0.00 174.74 174.64 2wwb h PRO 101 N 6.77 0.00 -0.64 2.88 0.11 -1.81 -2.53 132.00 136.78 2wwb h PRO 101 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2wwb h PRO 101 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wwb h PRO 101 CO 0.47 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 178.75 2wwb n SER 102 N -3.58 2.86 -0.04 -2.05 7.64 -1.26 -2.73 113.62 114.47 2wwb n SER 102 Ca -0.02 -2.29 0.04 0.00 1.01 0.00 0.00 58.87 57.61 2wwb n SER 102 Cb 0.17 -0.47 0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2wwb n SER 102 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wwb n LYS 103 N 0.41 2.24 -4.27 1.43 5.02 -0.95 -5.03 118.16 117.00 2wwb n LYS 103 Ca 0.13 -1.99 -0.15 0.00 -2.02 0.00 0.00 58.31 54.29 2wwb n LYS 103 Cb 0.57 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 34.26 2wwb n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wwb s LEU 104 N -1.84 2.02 -0.02 -0.35 1.43 -1.11 -2.18 118.68 116.63 2wwb s LEU 104 Ca 0.14 -1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.01 2wwb s LEU 104 Cb 0.13 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.30 2wwb s LEU 104 CO 0.01 -0.60 0.04 -0.69 0.23 0.00 0.00 176.35 175.35 2wwb s VAL 105 N -3.65 -0.03 -0.15 -1.59 1.01 -0.89 -4.28 120.40 110.82 2wwb s VAL 105 Ca 0.28 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 2wwb s VAL 105 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 2wwb s VAL 105 CO 0.07 0.05 0.39 0.27 0.00 0.00 0.00 175.10 175.88 2wwb s ILE 106 N 0.62 5.24 -0.21 2.22 -4.36 -1.00 -1.44 121.20 122.27 2wwb s ILE 106 Ca -0.05 0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 60.93 2wwb s ILE 106 Cb -0.07 -3.73 -0.09 0.00 1.25 0.00 0.00 42.46 39.82 2wwb s ILE 106 CO -0.02 0.33 -0.25 0.35 0.24 0.00 0.00 174.94 175.60 2wwb n THR 107 N 3.77 1.50 -4.80 8.37 -2.24 -0.33 -4.02 114.28 116.53 2wwb n THR 107 Ca -0.09 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 2wwb n THR 107 Cb 0.52 -2.17 -0.17 0.00 -2.10 0.00 0.00 70.33 66.41 2wwb n THR 107 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wwb s LYS 108 N -2.60 2.16 0.22 -0.78 3.01 -1.10 -4.95 119.74 115.71 2wwb s LYS 108 Ca -0.30 -0.57 0.05 0.00 -1.01 0.00 0.00 55.97 54.14 2wwb s LYS 108 Cb 0.07 -1.71 -0.03 0.00 -1.01 0.00 0.00 37.83 35.15 2wwb s LYS 108 CO 0.43 0.08 0.31 -0.51 0.51 0.00 0.00 175.35 176.17 2wwb s LEU 109 N 0.55 4.22 -0.05 3.17 1.43 -1.26 -1.07 118.68 125.67 2wwb s LEU 109 Ca -0.16 0.02 0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2wwb s LEU 109 Cb -0.17 -2.76 0.34 0.00 0.03 0.00 0.00 46.19 43.63 2wwb s LEU 109 CO 0.06 -0.04 1.28 1.57 0.23 0.00 0.00 176.35 179.44 2wwb n HIS 110 N -1.19 0.55 -1.76 0.29 -0.00 -1.26 -4.96 115.22 106.89 2wwb n HIS 110 Ca -0.08 -0.61 -0.41 0.00 -0.00 0.00 0.00 57.72 56.61 2wwb n HIS 110 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.99 30.44 2wwb n HIS 110 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2wwb n LEU 111 N 0.13 4.56 0.00 0.27 -0.00 -1.26 -4.96 117.00 115.74 2wwb n LEU 111 Ca 0.13 1.19 -0.19 0.00 -0.00 0.00 0.00 56.01 57.14 2wwb n LEU 111 Cb 0.54 -1.61 0.03 0.00 -0.00 0.00 0.00 43.42 42.38 2wwb n LEU 111 CO 0.09 0.15 0.19 0.47 -0.00 0.00 0.00 177.39 178.28 2wwb n ASP 112 N 1.31 2.13 0.00 1.45 9.92 -1.26 -4.99 116.55 125.11 2wwb n ASP 112 Ca 0.05 -2.45 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 2wwb n ASP 112 Cb 0.38 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2wwb n ASP 112 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2wwb n LYS 113 N -1.83 0.00 0.02 -1.24 4.81 -1.26 -3.00 118.16 115.66 2wwb n LYS 113 Ca 0.06 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.61 2wwb n LYS 113 Cb 0.52 -0.23 0.45 0.00 0.02 0.00 0.00 35.03 35.79 2wwb n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wwb n ASP 114 N 0.00 0.12 -0.14 3.14 9.92 -1.26 -2.63 116.55 125.70 2wwb n ASP 114 Ca 0.00 0.52 -0.06 0.00 -0.53 0.00 0.00 54.79 54.72 2wwb n ASP 114 Cb 0.00 -0.55 0.03 0.00 -0.64 0.00 0.00 41.12 39.96 2wwb n ASP 114 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2wwb h ARG 115 N 0.00 0.44 0.00 -1.24 2.43 -2.00 -1.55 114.38 112.47 2wwb h ARG 115 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2wwb h ARG 115 Cb 0.39 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wwb h ARG 115 CO 0.00 0.29 -0.08 1.57 -1.51 0.00 0.00 179.97 180.24 2wwb h LYS 116 N 0.46 0.00 -0.03 0.20 2.10 -1.40 -3.19 116.57 114.70 2wwb h LYS 116 Ca 0.18 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.76 2wwb h LYS 116 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2wwb h LYS 116 CO -0.12 0.08 -0.27 0.00 -2.00 0.00 0.00 179.45 177.14 2wwb h ALA 117 N 1.92 0.08 -0.72 0.07 0.00 -1.47 -2.97 119.26 116.18 2wwb h ALA 117 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2wwb h ALA 117 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2wwb h ALA 117 CO 0.01 0.12 0.22 -0.07 0.00 0.00 0.00 179.25 179.53 2wwb h LEU 118 N -0.32 1.04 -0.98 0.00 4.07 -1.34 -1.82 115.31 115.96 2wwb h LEU 118 Ca -0.02 -0.19 -0.06 0.00 0.08 0.00 0.00 57.88 57.68 2wwb h LEU 118 Cb 0.96 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 2wwb h LEU 118 CO 0.06 0.97 0.11 0.40 -1.08 0.00 0.00 178.44 178.89 2wwb h ILE 119 N 1.07 1.23 -0.52 1.22 2.04 -1.66 -2.76 117.51 118.13 2wwb h ILE 119 Ca 0.23 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2wwb h ILE 119 Cb 0.30 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wwb h ILE 119 CO -0.01 0.32 0.00 1.67 0.00 0.00 0.00 178.15 180.13 2wwb n GLN 120 N -4.26 2.22 -2.44 2.37 7.27 -0.89 -4.11 117.38 117.54 2wwb n GLN 120 Ca 0.04 -1.89 -0.17 0.00 0.07 0.00 0.00 57.00 55.04 2wwb n GLN 120 Cb 0.24 -1.41 0.02 0.00 2.41 0.00 0.00 30.24 31.51 2wwb n GLN 120 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wwb n ARG 121 N 1.04 2.72 0.00 3.69 5.12 -0.74 -4.95 116.66 123.55 2wwb n ARG 121 Ca 0.18 -3.97 0.00 0.00 -1.93 0.00 0.00 57.85 52.13 2wwb n ARG 121 Cb 0.44 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 2wwb n ARG 121 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2wwb n LYS 122 N -0.49 0.00 0.00 5.56 0.00 -1.26 -4.96 118.16 117.01 2wwb n LYS 122 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2wwb n LYS 122 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.84 2wwb n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wwb n GLY 123 N 0.00 1.49 7.00 3.14 0.00 -1.26 -5.02 105.19 110.54 2wwb n GLY 123 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2wwb n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwb n GLY 124 N 0.00 1.01 0.00 -0.02 0.00 -1.26 -4.02 105.19 100.90 2wwb n GLY 124 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2wwb n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wwb n LYS 125 N 10.08 0.00 -3.88 1.61 3.00 -1.26 -4.96 118.16 122.75 2wwb n LYS 125 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2wwb n LYS 125 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 2wwb n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wwb s LEU 126 N 0.00 2.31 0.00 3.14 1.43 -1.26 -5.22 118.68 119.09 2wwb s LEU 126 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2wwb s LEU 126 Cb 0.00 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.18 2wwb s LEU 126 CO 0.00 -0.27 0.04 -0.62 0.23 0.00 0.00 176.35 175.72