#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa s ALA 2 N 0.00 2.83 -0.14 3.04 0.00 -1.26 -5.01 121.76 121.22 2wwa s ALA 2 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2wwa s ALA 2 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2wwa s ALA 2 CO 0.00 -1.16 0.21 0.21 0.00 0.00 0.00 175.76 175.02 2wwa s LYS 3 N -2.90 3.94 0.53 0.00 2.20 -1.26 -5.09 119.74 117.17 2wwa s LYS 3 Ca 0.70 -0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 56.07 2wwa s LYS 3 Cb -0.36 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2wwa s LYS 3 CO 0.43 0.48 1.25 1.14 -0.36 0.00 0.00 175.35 178.29 2wwa s GLN 4 N -0.22 3.31 0.08 4.03 -2.07 -1.26 -4.85 119.66 118.68 2wwa s GLN 4 Ca 0.14 1.96 -0.15 0.00 -1.82 0.00 0.00 55.36 55.49 2wwa s GLN 4 Cb -0.13 -2.22 0.03 0.00 -1.09 0.00 0.00 33.01 29.60 2wwa s GLN 4 CO 0.03 -0.97 0.35 0.45 -1.32 0.00 0.00 175.29 173.84 2wwa s SER 5 N -1.27 -0.18 0.00 12.60 0.15 -1.26 -5.13 113.70 118.61 2wwa s SER 5 Ca 0.70 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2wwa s SER 5 Cb -0.33 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2wwa s SER 5 CO 0.39 -0.72 0.00 -0.11 1.20 0.00 0.00 173.24 174.00 2wwa n LEU 6 N 0.22 0.00 -4.62 3.45 7.94 -1.26 -5.08 117.00 117.64 2wwa n LEU 6 Ca -0.17 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.35 2wwa n LEU 6 Cb 0.61 0.09 -0.09 0.00 0.53 0.00 0.00 43.42 44.56 2wwa n LEU 6 CO 0.20 -0.09 -0.03 -0.62 -1.11 0.00 0.00 177.39 175.74 2wwa s ASP 7 N -1.81 6.21 -0.94 1.96 -1.08 -1.26 -5.00 116.67 114.74 2wwa s ASP 7 Ca 0.00 0.23 -0.03 0.00 -0.52 0.00 0.00 52.55 52.23 2wwa s ASP 7 Cb 0.00 -2.17 0.25 0.00 -1.46 0.00 0.00 42.92 39.53 2wwa s ASP 7 CO 0.00 -0.09 0.95 0.52 0.52 0.00 0.00 175.17 177.07 2wwa n VAL 8 N 4.80 3.59 -4.06 1.11 0.31 -1.26 -4.96 118.33 117.85 2wwa n VAL 8 Ca -0.11 -5.30 -0.33 0.00 -0.01 0.00 0.00 64.34 58.59 2wwa n VAL 8 Cb 0.51 -2.35 -0.15 0.00 -0.91 0.00 0.00 33.84 30.94 2wwa n VAL 8 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wwa s SER 9 N -0.37 3.66 0.06 4.52 0.01 -1.26 -5.08 113.70 115.25 2wwa s SER 9 Ca 0.30 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 2wwa s SER 9 Cb -0.04 -1.55 -0.07 0.00 0.21 0.00 0.00 66.02 64.58 2wwa s SER 9 CO -0.07 -0.05 1.28 -1.28 0.41 0.00 0.00 173.24 173.53 2wwa h SER 10 N 7.94 -0.88 0.00 2.44 0.87 -2.01 -3.44 113.55 118.47 2wwa h SER 10 Ca -0.39 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2wwa h SER 10 Cb 1.12 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2wwa h SER 10 CO 0.60 -0.25 0.00 -0.67 -0.53 0.00 0.00 176.83 175.97 2wwa n ASP 11 N -4.03 0.00 0.11 6.23 2.03 -1.26 -4.96 116.55 114.67 2wwa n ASP 11 Ca -0.03 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.40 2wwa n ASP 11 Cb 0.20 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.04 2wwa n ASP 11 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2wwa n ARG 12 N -0.85 0.23 -0.29 -0.67 3.00 -1.26 -2.59 116.66 114.24 2wwa n ARG 12 Ca 0.00 0.30 -0.06 0.00 -0.00 0.00 0.00 57.85 58.09 2wwa n ARG 12 Cb 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 32.46 30.70 2wwa n ARG 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2wwa h ARG 13 N 0.00 1.14 -0.58 -0.14 2.43 -1.97 -2.07 114.38 113.19 2wwa h ARG 13 Ca 0.00 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 2wwa h ARG 13 Cb 0.58 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2wwa h ARG 13 CO 0.00 0.89 0.07 -0.22 -1.51 0.00 0.00 179.97 179.20 2wwa h LYS 14 N 1.11 0.95 -0.43 0.20 1.63 -1.79 -2.54 116.57 115.69 2wwa h LYS 14 Ca 0.27 -0.25 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 2wwa h LYS 14 Cb 0.14 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2wwa h LYS 14 CO -0.03 0.90 -0.01 0.00 -3.45 0.00 0.00 179.45 176.86 2wwa h ALA 15 N 1.18 1.18 0.00 5.00 0.00 -1.54 -2.86 119.26 122.21 2wwa h ALA 15 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wwa h ALA 15 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wwa h ALA 15 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2wwa h ARG 16 N 0.66 0.00 0.00 0.00 3.08 -1.09 -2.51 114.38 114.52 2wwa h ARG 16 Ca 0.13 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 2wwa h ARG 16 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2wwa h ARG 16 CO 0.02 0.00 -0.57 0.87 -1.07 0.00 0.00 179.97 179.22 2wwa h LYS 17 N 0.00 0.00 -0.05 0.04 1.57 -1.22 -2.12 116.57 114.80 2wwa h LYS 17 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2wwa h LYS 17 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2wwa h LYS 17 CO 0.00 0.57 -0.53 0.00 -0.57 0.00 0.00 179.45 178.91 2wwa h ALA 18 N 1.43 0.13 -0.41 3.86 0.00 -1.49 -3.15 119.26 119.64 2wwa h ALA 18 Ca -0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2wwa h ALA 18 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2wwa h ALA 18 CO 0.07 0.35 -0.17 1.88 0.00 0.00 0.00 179.25 181.38 2wwa h TYR 19 N -0.02 0.95 0.00 0.00 0.05 -1.38 -3.39 116.97 113.17 2wwa h TYR 19 Ca -0.05 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2wwa h TYR 19 Cb 1.21 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2wwa h TYR 19 CO 0.13 0.98 -0.87 1.19 -1.05 0.00 0.00 178.16 178.55 2wwa n PHE 20 N -4.25 0.00 -3.88 4.88 3.01 -0.80 -4.89 117.46 111.52 2wwa n PHE 20 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 2wwa n PHE 20 Cb 0.41 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 2wwa n PHE 20 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wwa s THR 21 N -1.80 5.49 -0.03 4.37 2.01 -1.19 -4.77 115.64 119.72 2wwa s THR 21 Ca 0.00 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 2wwa s THR 21 Cb 0.00 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 2wwa s THR 21 CO 0.00 0.56 0.03 0.00 -0.69 0.00 0.00 174.62 174.52 2wwa n ALA 22 N 1.76 -1.50 -0.83 7.40 0.00 -1.26 -4.60 120.51 121.48 2wwa n ALA 22 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2wwa n ALA 22 Cb 0.54 -0.10 0.03 0.00 0.00 0.00 0.00 19.45 19.92 2wwa n ALA 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wwa n PRO 23 N -1.06 1.02 0.00 0.00 -0.02 -1.26 -3.69 135.00 129.99 2wwa n PRO 23 Ca -0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2wwa n PRO 23 Cb 0.50 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 2wwa n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wwa n SER 24 N 0.41 0.00 -1.34 2.55 7.64 -1.26 -1.60 113.62 120.03 2wwa n SER 24 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.00 2wwa n SER 24 Cb 0.05 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.57 2wwa n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2wwa n SER 25 N -2.01 4.00 0.00 6.43 7.64 -1.26 -1.64 113.62 126.79 2wwa n SER 25 Ca 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.82 2wwa n SER 25 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2wwa n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwa n GLN 26 N 1.50 2.12 -0.23 1.43 6.02 -0.63 -4.13 117.38 123.46 2wwa n GLN 26 Ca 0.24 -1.21 0.11 0.00 -0.01 0.00 0.00 57.00 56.13 2wwa n GLN 26 Cb 0.65 -0.86 0.26 0.00 1.02 0.00 0.00 30.24 31.31 2wwa n GLN 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wwa n ARG 27 N -0.36 2.41 -0.18 -1.09 5.12 -1.02 -3.69 116.66 117.86 2wwa n ARG 27 Ca 0.00 -2.16 -0.08 0.00 -1.93 0.00 0.00 57.85 53.67 2wwa n ARG 27 Cb 0.31 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 2wwa n ARG 27 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2wwa h ARG 28 N 3.92 0.77 -0.60 5.56 2.43 -1.46 -0.96 114.38 124.05 2wwa h ARG 28 Ca 0.00 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 2wwa h ARG 28 Cb 0.88 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2wwa h ARG 28 CO 0.00 0.71 -0.02 0.28 -1.51 0.00 0.00 179.97 179.43 2wwa h VAL 29 N 0.68 1.27 -0.09 0.20 2.07 -1.83 -2.30 116.25 116.25 2wwa h VAL 29 Ca 0.16 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2wwa h VAL 29 Cb 0.26 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wwa h VAL 29 CO -0.01 0.43 0.00 0.18 0.02 0.00 0.00 177.57 178.19 2wwa n LEU 30 N -4.17 3.09 -0.14 2.57 4.77 -1.19 -3.55 117.00 118.38 2wwa n LEU 30 Ca 0.03 -1.09 0.01 0.00 -0.03 0.00 0.00 56.01 54.93 2wwa n LEU 30 Cb 0.36 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2wwa n LEU 30 CO 0.45 0.54 0.42 0.18 -1.33 0.00 0.00 177.39 177.65 2wwa n LEU 31 N 1.38 1.76 -4.77 2.23 4.77 -0.37 -4.71 117.00 117.29 2wwa n LEU 31 Ca 0.15 -1.53 -0.39 0.00 -0.03 0.00 0.00 56.01 54.21 2wwa n LEU 31 Cb 0.60 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wwa n LEU 31 CO 0.15 0.43 0.91 -0.94 -1.33 0.00 0.00 177.39 176.61 2wwa s SER 32 N -0.64 6.21 -0.05 -1.43 1.04 -0.87 -3.22 113.70 114.74 2wwa s SER 32 Ca 0.05 2.52 -0.06 0.00 0.48 0.00 0.00 55.95 58.94 2wwa s SER 32 Cb 0.03 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.54 2wwa s SER 32 CO 0.04 -0.91 0.17 0.00 0.98 0.00 0.00 173.24 173.52 2wwa s ALA 33 N -1.36 -0.41 0.38 5.32 0.00 -1.11 -4.51 121.76 120.08 2wwa s ALA 33 Ca 0.60 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 2wwa s ALA 33 Cb -0.35 -0.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 2wwa s ALA 33 CO 0.43 -0.11 1.06 -1.25 0.00 0.00 0.00 175.76 175.90 2wwa s PRO 34 N -0.20 4.23 1.01 0.00 0.04 -1.26 -2.77 135.00 136.04 2wwa s PRO 34 Ca -0.03 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 2wwa s PRO 34 Cb -0.02 -2.65 0.19 0.00 0.04 0.00 0.00 34.50 32.06 2wwa s PRO 34 CO 0.01 -0.10 1.16 -0.51 0.04 0.00 0.00 177.00 177.59 2wwa s LEU 35 N -2.46 1.73 0.00 -3.56 1.43 -0.76 -2.29 118.68 112.78 2wwa s LEU 35 Ca 0.56 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2wwa s LEU 35 Cb -0.24 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2wwa s LEU 35 CO 0.30 -3.07 0.00 -1.54 0.23 0.00 0.00 176.35 172.27 2wwa n SER 36 N -4.08 0.00 0.00 2.29 3.41 -1.25 -4.83 113.62 109.16 2wwa n SER 36 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2wwa n SER 36 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2wwa n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wwa n LYS 37 N 0.00 3.76 -0.07 4.33 0.00 -1.26 -4.29 118.16 120.62 2wwa n LYS 37 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 2wwa n LYS 37 Cb 0.00 -0.66 -0.06 0.00 -0.00 0.00 0.00 35.03 34.32 2wwa n LYS 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2wwa h GLU 38 N 0.00 0.69 -0.02 -1.58 3.07 -1.99 -3.19 114.58 111.57 2wwa h GLU 38 Ca 0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2wwa h GLU 38 Cb 0.04 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2wwa h GLU 38 CO 0.00 1.06 -0.42 1.28 -1.40 0.00 0.00 179.01 179.53 2wwa n LEU 39 N -4.19 2.00 -0.08 1.33 4.32 -1.26 -2.91 117.00 116.21 2wwa n LEU 39 Ca -0.05 -0.78 -0.15 0.00 -0.02 0.00 0.00 56.01 55.02 2wwa n LEU 39 Cb 0.55 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.31 2wwa n LEU 39 CO 0.47 0.37 0.46 0.03 -1.22 0.00 0.00 177.39 177.50 2wwa h ARG 40 N 2.42 0.83 -0.54 3.23 3.08 -1.75 -3.21 114.38 118.44 2wwa h ARG 40 Ca 0.00 -0.51 -0.11 0.00 0.07 0.00 0.00 59.98 59.43 2wwa h ARG 40 Cb 0.73 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2wwa h ARG 40 CO 0.00 1.15 -0.09 0.00 -1.07 0.00 0.00 179.97 179.96 2wwa h ALA 41 N 0.67 0.81 -0.52 0.04 0.00 -1.59 -0.95 119.26 117.73 2wwa h ALA 41 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2wwa h ALA 41 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2wwa h ALA 41 CO 0.11 0.66 0.13 0.37 0.00 0.00 0.00 179.25 180.53 2wwa h GLN 42 N 0.90 0.82 -0.00 0.00 4.15 -1.60 -3.28 115.11 116.10 2wwa h GLN 42 Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2wwa h GLN 42 Cb 0.65 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2wwa h GLN 42 CO 0.04 0.78 -0.26 0.66 -1.93 0.00 0.00 178.83 178.13 2wwa n TYR 43 N -4.45 0.00 -1.00 3.99 4.01 -1.21 -5.01 117.16 113.49 2wwa n TYR 43 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2wwa n TYR 43 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2wwa n TYR 43 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wwa n GLY 44 N 0.99 0.59 0.00 2.72 0.00 -0.36 -5.00 105.19 104.13 2wwa n GLY 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wwa n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwa n ILE 45 N -2.75 0.00 0.00 -0.61 5.41 -1.20 -5.01 119.36 115.20 2wwa n ILE 45 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wwa n ILE 45 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 2wwa n ILE 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wwa n LYS 46 N 0.00 0.00 -4.05 0.38 4.81 -1.26 -4.94 118.16 113.10 2wwa n LYS 46 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2wwa n LYS 46 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2wwa n LYS 46 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wwa s ALA 47 N -1.72 0.33 -0.11 3.14 0.00 -1.26 -1.82 121.76 120.32 2wwa s ALA 47 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 2wwa s ALA 47 Cb 0.00 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.16 2wwa s ALA 47 CO 0.00 -0.65 0.27 -1.17 0.00 0.00 0.00 175.76 174.21 2wwa s LEU 48 N -3.03 0.76 0.26 0.00 2.96 -1.12 -4.87 118.68 113.65 2wwa s LEU 48 Ca 0.24 0.55 -0.31 0.00 -0.22 0.00 0.00 54.13 54.40 2wwa s LEU 48 Cb 0.04 0.89 -0.11 0.00 0.50 0.00 0.00 46.19 47.51 2wwa s LEU 48 CO 0.04 -0.12 1.60 -2.16 -1.32 0.00 0.00 176.35 174.40 2wwa s PRO 49 N 0.52 4.15 0.50 0.98 0.04 -1.26 -2.76 135.00 137.16 2wwa s PRO 49 Ca -0.03 2.53 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 2wwa s PRO 49 Cb -0.05 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 2wwa s PRO 49 CO -0.03 -0.63 1.40 0.42 0.04 0.00 0.00 177.00 178.20 2wwa s ILE 50 N 0.34 2.04 0.29 0.56 1.01 -1.20 -4.97 121.20 119.28 2wwa s ILE 50 Ca 0.66 0.03 0.08 0.00 0.00 0.00 0.00 60.65 61.42 2wwa s ILE 50 Cb -0.47 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2wwa s ILE 50 CO 0.43 0.00 0.15 -0.60 0.00 0.00 0.00 174.94 174.92 2wwa s ARG 51 N -2.66 2.61 0.00 2.79 6.06 -1.26 -5.03 118.95 121.45 2wwa s ARG 51 Ca 0.66 -1.30 0.28 0.00 -2.50 0.00 0.00 55.73 52.87 2wwa s ARG 51 Cb -0.43 -2.36 0.99 0.00 0.06 0.00 0.00 34.95 33.22 2wwa s ARG 51 CO 0.53 0.27 1.75 -2.13 -2.50 0.00 0.00 175.30 173.22 2wwa n ARG 52 N -1.14 0.04 0.00 5.12 0.63 -1.26 -3.34 116.66 116.71 2wwa n ARG 52 Ca -0.05 -0.01 0.06 0.00 -0.92 0.00 0.00 57.85 56.93 2wwa n ARG 52 Cb 0.59 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 32.02 2wwa n ARG 52 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wwa n ASP 53 N -1.47 1.62 -4.76 6.15 8.00 -1.26 -3.85 116.55 120.98 2wwa n ASP 53 Ca 0.07 -1.31 -0.37 0.00 0.71 0.00 0.00 54.79 53.89 2wwa n ASP 53 Cb 0.33 0.29 0.01 0.00 -0.02 0.00 0.00 41.12 41.73 2wwa n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2wwa s ASP 54 N -1.35 5.77 -0.12 -2.24 1.01 -1.21 -4.72 116.67 113.81 2wwa s ASP 54 Ca 0.12 2.45 -0.01 0.00 0.71 0.00 0.00 52.55 55.82 2wwa s ASP 54 Cb 0.10 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2wwa s ASP 54 CO 0.25 -1.20 -0.08 -1.61 0.21 0.00 0.00 175.17 172.73 2wwa s GLU 55 N -2.85 3.28 -0.05 8.23 2.02 -1.04 -3.04 118.70 125.24 2wwa s GLU 55 Ca 0.68 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 55.02 2wwa s GLU 55 Cb -0.32 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2wwa s GLU 55 CO 0.38 0.36 0.15 0.08 0.02 0.00 0.00 175.26 176.25 2wwa s VAL 56 N 0.00 0.02 0.12 2.63 1.01 -1.00 -2.39 120.40 120.79 2wwa s VAL 56 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2wwa s VAL 56 Cb -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2wwa s VAL 56 CO 0.03 -0.07 -0.22 -1.48 0.00 0.00 0.00 175.10 173.36 2wwa s LEU 57 N -0.19 2.52 -0.02 3.92 -0.00 -0.93 -2.94 118.68 121.03 2wwa s LEU 57 Ca -0.03 -0.64 -0.16 0.00 -0.00 0.00 0.00 54.13 53.30 2wwa s LEU 57 Cb -0.02 -1.40 -0.05 0.00 -0.00 0.00 0.00 46.19 44.71 2wwa s LEU 57 CO 0.00 0.18 0.45 -0.69 -0.00 0.00 0.00 176.35 176.30 2wwa s VAL 58 N -1.09 5.03 -0.01 1.48 1.01 -1.00 -2.53 120.40 123.28 2wwa s VAL 58 Ca 0.16 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2wwa s VAL 58 Cb -0.10 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2wwa s VAL 58 CO 0.08 0.50 -0.01 0.52 0.00 0.00 0.00 175.10 176.19 2wwa n VAL 59 N 2.35 0.07 -4.41 2.92 0.31 -1.04 -3.40 118.33 115.13 2wwa n VAL 59 Ca -0.11 -0.03 -0.27 0.00 -0.01 0.00 0.00 64.34 63.91 2wwa n VAL 59 Cb 0.52 -0.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.65 2wwa n VAL 59 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wwa s ARG 60 N -2.02 1.46 0.00 5.55 1.81 -1.10 -4.81 118.95 119.83 2wwa s ARG 60 Ca -0.01 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 52.54 2wwa s ARG 60 Cb 0.00 -1.84 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 2wwa s ARG 60 CO 0.03 0.41 0.00 0.41 -0.68 0.00 0.00 175.30 175.47 2wwa n GLY 61 N 0.51 0.62 0.62 -3.53 0.00 -1.26 -4.67 105.19 97.47 2wwa n GLY 61 Ca -0.15 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.72 2wwa n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wwa n SER 62 N 0.00 2.61 -2.82 1.61 3.41 -1.26 -4.44 113.62 112.73 2wwa n SER 62 Ca 0.00 -1.80 -0.16 0.00 -0.26 0.00 0.00 58.87 56.65 2wwa n SER 62 Cb 0.00 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2wwa n SER 62 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wwa n LYS 63 N 0.65 1.66 -0.38 4.33 4.76 -1.26 -4.97 118.16 122.96 2wwa n LYS 63 Ca 0.10 -3.66 0.08 0.00 -2.87 0.00 0.00 58.31 51.97 2wwa n LYS 63 Cb 0.39 -1.64 0.26 0.00 -1.84 0.00 0.00 35.03 32.19 2wwa n LYS 63 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2wwa n LYS 64 N -0.04 2.69 -3.18 1.97 0.00 -1.26 -4.41 118.16 113.93 2wwa n LYS 64 Ca 0.21 -2.09 -0.02 0.00 -0.00 0.00 0.00 58.31 56.41 2wwa n LYS 64 Cb 0.70 -1.59 -0.02 0.00 -0.00 0.00 0.00 35.03 34.12 2wwa n LYS 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2wwa s GLY 65 N -0.90 -1.12 -0.15 2.58 0.00 -1.22 -3.86 107.32 102.66 2wwa s GLY 65 Ca 0.38 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.95 2wwa s GLY 65 CO 0.22 3.56 0.44 -0.86 0.00 0.00 0.00 173.10 176.46 2wwa s GLN 66 N 1.70 0.56 0.41 2.90 -2.07 -1.26 -4.98 119.66 116.91 2wwa s GLN 66 Ca 0.18 0.53 0.08 0.00 -1.82 0.00 0.00 55.36 54.33 2wwa s GLN 66 Cb -0.05 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.15 2wwa s GLN 66 CO -0.06 -0.08 0.55 -1.21 -1.32 0.00 0.00 175.29 173.16 2wwa s GLU 67 N 0.04 2.87 0.00 9.60 2.02 -1.26 -2.39 118.70 129.58 2wwa s GLU 67 Ca -0.02 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2wwa s GLU 67 Cb -0.03 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2wwa s GLU 67 CO 0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2wwa n GLY 68 N -1.80 3.79 3.72 -1.39 0.00 -1.15 -4.79 105.19 103.57 2wwa n GLY 68 Ca 0.06 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 2wwa n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwa s LYS 69 N -2.51 2.21 -0.27 1.61 1.02 -1.25 -2.37 119.74 118.17 2wwa s LYS 69 Ca 0.00 1.85 -0.22 0.00 0.02 0.00 0.00 55.97 57.62 2wwa s LYS 69 Cb 0.00 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2wwa s LYS 69 CO 0.00 -1.81 0.72 0.42 -0.92 0.00 0.00 175.35 173.77 2wwa s ILE 70 N -1.83 4.89 0.06 2.17 1.01 -1.17 -1.14 121.20 125.19 2wwa s ILE 70 Ca 0.77 1.22 -0.15 0.00 0.00 0.00 0.00 60.65 62.48 2wwa s ILE 70 Cb -0.31 -4.04 -0.21 0.00 0.01 0.00 0.00 42.46 37.90 2wwa s ILE 70 CO 0.44 -0.09 1.20 0.77 0.00 0.00 0.00 174.94 177.26 2wwa h SER 71 N 7.94 0.81 -5.00 3.58 4.64 -1.75 -3.42 113.55 120.35 2wwa h SER 71 Ca -0.25 -0.71 -0.04 0.00 -0.47 0.00 0.00 61.79 60.32 2wwa h SER 71 Cb 1.11 -0.25 -0.15 0.00 -0.31 0.00 0.00 62.40 62.80 2wwa h SER 71 CO 0.83 1.40 0.19 -0.55 -0.87 0.00 0.00 176.83 177.84 2wwa s SER 72 N -7.07 -0.60 -0.09 4.97 0.15 -1.23 -5.05 113.70 104.78 2wwa s SER 72 Ca -0.11 0.33 -0.17 0.00 0.70 0.00 0.00 55.95 56.70 2wwa s SER 72 Cb 0.06 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2wwa s SER 72 CO 0.89 -0.80 0.41 0.54 1.20 0.00 0.00 173.24 175.48 2wwa s VAL 73 N -2.55 0.02 -0.06 4.45 0.11 -1.26 -1.25 120.40 119.85 2wwa s VAL 73 Ca -0.05 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2wwa s VAL 73 Cb -0.01 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2wwa s VAL 73 CO -0.02 -0.10 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.16 2wwa s TYR 74 N -0.52 2.62 0.10 1.54 1.51 -1.19 -5.00 117.35 116.41 2wwa s TYR 74 Ca -0.06 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.46 2wwa s TYR 74 Cb -0.04 -1.65 -0.12 0.00 -0.11 0.00 0.00 41.96 40.05 2wwa s TYR 74 CO 0.03 0.01 1.36 0.07 -1.11 0.00 0.00 175.55 175.91 2wwa h ARG 75 N 5.75 0.73 -0.35 -0.62 0.11 -1.98 -2.06 114.38 115.96 2wwa h ARG 75 Ca -0.39 -0.47 -0.06 0.00 0.10 0.00 0.00 59.98 59.15 2wwa h ARG 75 Cb 1.16 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 2wwa h ARG 75 CO 0.50 1.10 -0.02 -0.07 0.10 0.00 0.00 179.97 181.58 2wwa h LEU 76 N 0.46 0.63 -0.22 0.08 4.07 -1.96 -3.29 115.31 115.08 2wwa h LEU 76 Ca 0.01 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2wwa h LEU 76 Cb 1.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2wwa h LEU 76 CO 0.10 0.80 -0.76 1.17 -1.08 0.00 0.00 178.44 178.67 2wwa n LYS 77 N -4.48 0.28 -4.14 1.13 4.81 -1.24 -4.89 118.16 109.62 2wwa n LYS 77 Ca -0.02 -0.22 -0.28 0.00 -0.87 0.00 0.00 58.31 56.92 2wwa n LYS 77 Cb 0.29 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 2wwa n LYS 77 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2wwa n PHE 78 N -1.17 -1.44 -3.81 5.64 1.16 -0.78 -4.96 117.46 112.10 2wwa n PHE 78 Ca 0.06 0.67 -0.13 0.00 -1.87 0.00 0.00 57.45 56.18 2wwa n PHE 78 Cb 0.36 -3.24 -0.13 0.00 -1.61 0.00 0.00 39.48 34.85 2wwa n PHE 78 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wwa s ALA 79 N -4.18 -0.27 -0.21 1.98 0.00 -1.24 -4.46 121.76 113.39 2wwa s ALA 79 Ca 0.01 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2wwa s ALA 79 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2wwa s ALA 79 CO 0.95 -0.08 0.00 0.08 0.00 0.00 0.00 175.76 176.71 2wwa s VAL 80 N 0.36 3.92 -0.12 0.00 1.01 -0.90 -3.14 120.40 121.52 2wwa s VAL 80 Ca -0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2wwa s VAL 80 Cb -0.04 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2wwa s VAL 80 CO -0.01 0.42 0.33 -1.58 0.00 0.00 0.00 175.10 174.25 2wwa s GLN 81 N 1.15 4.16 -0.05 2.72 0.74 -0.38 -1.96 119.66 126.04 2wwa s GLN 81 Ca 0.03 0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.68 2wwa s GLN 81 Cb -0.14 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 2wwa s GLN 81 CO 0.01 0.34 -0.18 0.08 -0.55 0.00 0.00 175.29 174.99 2wwa s VAL 82 N 0.14 2.69 -0.39 1.34 1.01 -1.26 -2.48 120.40 121.45 2wwa s VAL 82 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2wwa s VAL 82 Cb -0.14 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2wwa s VAL 82 CO 0.06 0.58 0.26 -0.62 0.00 0.00 0.00 175.10 175.39 2wwa s ASP 83 N -0.58 5.99 0.00 3.32 2.15 -0.30 -4.40 116.67 122.85 2wwa s ASP 83 Ca 0.08 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2wwa s ASP 83 Cb -0.11 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2wwa s ASP 83 CO 0.01 -0.40 0.00 2.29 -0.17 0.00 0.00 175.17 176.89 2wwa n LYS 84 N 5.11 0.00 0.00 4.34 2.85 -1.26 -3.90 118.16 125.30 2wwa n LYS 84 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2wwa n LYS 84 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2wwa n LYS 84 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2wwa n VAL 85 N -0.15 0.00 -1.51 0.58 0.24 -1.26 -5.09 118.33 111.14 2wwa n VAL 85 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 2wwa n VAL 85 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2wwa n VAL 85 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2wwa n THR 86 N 0.00 0.00 0.00 3.34 5.66 -1.25 -4.82 114.28 117.21 2wwa n THR 86 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wwa n THR 86 Cb 0.00 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 2wwa n THR 86 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2wwa n LYS 87 N -2.22 0.00 -2.75 1.09 3.00 -1.26 -4.99 118.16 111.04 2wwa n LYS 87 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2wwa n LYS 87 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.27 2wwa n LYS 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2wwa s GLU 88 N 0.00 3.75 0.28 1.64 1.03 -1.26 -4.28 118.70 119.85 2wwa s GLU 88 Ca 0.00 0.47 0.07 0.00 0.03 0.00 0.00 54.97 55.55 2wwa s GLU 88 Cb 0.00 -2.36 -0.03 0.00 -0.80 0.00 0.00 34.13 30.94 2wwa s GLU 88 CO 0.00 -0.10 0.22 0.15 -1.33 0.00 0.00 175.26 174.20 2wwa s LYS 89 N -4.06 2.86 0.32 -4.83 3.01 -0.44 -5.04 119.74 111.56 2wwa s LYS 89 Ca 0.51 -1.13 0.26 0.00 -1.01 0.00 0.00 55.97 54.60 2wwa s LYS 89 Cb -0.10 -2.53 0.81 0.00 -1.01 0.00 0.00 37.83 35.00 2wwa s LYS 89 CO 0.34 0.31 1.75 -0.39 0.51 0.00 0.00 175.35 177.88 2wwa h VAL 90 N 1.43 0.00 -0.01 3.17 -1.51 -1.99 -2.60 116.25 114.74 2wwa h VAL 90 Ca -0.47 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 2wwa h VAL 90 Cb 1.24 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2wwa h VAL 90 CO 0.60 0.00 -0.31 -0.46 -1.23 0.00 0.00 177.57 176.17 2wwa n ASN 91 N -2.58 1.61 0.00 4.19 6.94 -1.26 -4.92 115.26 119.24 2wwa n ASN 91 Ca 0.04 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 2wwa n ASN 91 Cb 0.39 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 2wwa n ASN 91 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wwa n GLY 92 N 1.36 1.26 3.66 4.83 0.00 -0.98 -5.08 105.19 110.25 2wwa n GLY 92 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2wwa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwa s ALA 93 N -2.00 3.64 0.04 4.61 0.00 -1.25 -4.90 121.76 121.90 2wwa s ALA 93 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2wwa s ALA 93 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2wwa s ALA 93 CO 0.00 -1.23 -0.04 0.45 0.00 0.00 0.00 175.76 174.94 2wwa s SER 94 N 2.40 0.47 0.23 0.00 0.15 -1.26 -1.33 113.70 114.36 2wwa s SER 94 Ca 0.61 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2wwa s SER 94 Cb -0.26 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 2wwa s SER 94 CO 0.20 -0.36 -0.05 0.68 1.20 0.00 0.00 173.24 174.90 2wwa s VAL 95 N -2.16 1.35 -0.04 4.45 -7.23 -1.26 -5.05 120.40 110.46 2wwa s VAL 95 Ca -0.08 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 57.98 2wwa s VAL 95 Cb -0.05 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2wwa s VAL 95 CO -0.03 -0.41 -0.03 -0.65 -0.31 0.00 0.00 175.10 173.66 2wwa h PRO 96 N 2.46 0.00 -3.40 4.82 0.11 -1.96 -3.40 132.00 130.63 2wwa h PRO 96 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wwa h PRO 96 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wwa h PRO 96 CO 0.65 0.00 -0.52 -0.89 -0.21 0.00 0.00 178.00 177.03 2wwa n ILE 97 N -3.03 -8.14 -4.38 4.15 5.41 -1.26 -3.89 119.36 108.23 2wwa n ILE 97 Ca -0.01 1.71 -0.22 0.00 1.00 0.00 0.00 62.75 65.22 2wwa n ILE 97 Cb 0.05 -4.62 -0.11 0.00 -0.71 0.00 0.00 39.64 34.26 2wwa n ILE 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2wwa s ASN 98 N -0.32 2.94 0.34 4.38 0.01 -1.26 -4.00 114.94 117.03 2wwa s ASN 98 Ca 0.00 -0.93 -0.01 0.00 -0.71 0.00 0.00 52.86 51.21 2wwa s ASN 98 Cb 0.00 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.46 2wwa s ASN 98 CO 0.00 -0.03 0.44 -0.76 -1.51 0.00 0.00 177.10 175.24 2wwa s LEU 99 N -3.00 1.15 -0.05 0.60 1.43 -0.83 -4.91 118.68 113.07 2wwa s LEU 99 Ca 0.21 -1.54 0.04 0.00 -1.03 0.00 0.00 54.13 51.81 2wwa s LEU 99 Cb -0.05 1.31 -0.02 0.00 0.03 0.00 0.00 46.19 47.46 2wwa s LEU 99 CO 0.09 -1.26 -0.18 -2.28 0.23 0.00 0.00 176.35 172.95 2wwa s HIS 100 N -3.10 2.61 0.47 0.29 5.65 -1.26 -2.13 115.29 117.82 2wwa s HIS 100 Ca 0.32 -0.31 0.23 0.00 0.25 0.00 0.00 55.06 55.55 2wwa s HIS 100 Cb 0.00 -1.62 1.36 0.00 -1.18 0.00 0.00 32.58 31.14 2wwa s HIS 100 CO 0.22 0.07 2.08 -1.35 -0.65 0.00 0.00 174.74 175.11 2wwa h PRO 101 N 5.56 0.00 -0.50 2.88 0.11 -1.84 -2.71 132.00 135.50 2wwa h PRO 101 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wwa h PRO 101 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wwa h PRO 101 CO 0.50 0.11 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 2wwa n SER 102 N -3.96 2.89 -0.84 -2.05 7.64 -1.26 -3.04 113.62 113.00 2wwa n SER 102 Ca -0.02 -1.97 0.07 0.00 1.01 0.00 0.00 58.87 57.96 2wwa n SER 102 Cb 0.20 -0.33 0.22 0.00 -1.01 0.00 0.00 64.21 63.29 2wwa n SER 102 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wwa n LYS 103 N 1.08 2.99 -4.39 1.43 5.02 -1.02 -4.99 118.16 118.28 2wwa n LYS 103 Ca 0.18 -2.48 -0.20 0.00 -2.02 0.00 0.00 58.31 53.80 2wwa n LYS 103 Cb 0.47 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 2wwa n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wwa s LEU 104 N -1.91 2.37 -0.01 -0.35 1.43 -1.17 -2.50 118.68 116.54 2wwa s LEU 104 Ca 0.34 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 2wwa s LEU 104 Cb 0.24 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.99 2wwa s LEU 104 CO 0.13 -0.42 0.00 -0.69 0.23 0.00 0.00 176.35 175.61 2wwa s VAL 105 N -3.18 0.06 -0.11 -1.59 1.01 -1.05 -4.36 120.40 111.17 2wwa s VAL 105 Ca 0.29 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 2wwa s VAL 105 Cb 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 2wwa s VAL 105 CO 0.11 0.07 0.38 0.27 0.00 0.00 0.00 175.10 175.93 2wwa s ILE 106 N 0.52 5.21 -0.19 2.22 -4.36 -0.97 -2.18 121.20 121.45 2wwa s ILE 106 Ca -0.05 0.76 -0.16 0.00 -0.26 0.00 0.00 60.65 60.94 2wwa s ILE 106 Cb -0.07 -3.72 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 2wwa s ILE 106 CO -0.01 0.41 -0.33 0.35 0.24 0.00 0.00 174.94 175.59 2wwa n THR 107 N 3.24 1.48 -4.89 8.37 -2.24 -1.01 -3.93 114.28 115.30 2wwa n THR 107 Ca -0.11 0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 2wwa n THR 107 Cb 0.52 -2.22 -0.14 0.00 -2.10 0.00 0.00 70.33 66.39 2wwa n THR 107 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wwa s LYS 108 N -2.79 1.94 0.35 -0.78 3.01 -1.10 -4.90 119.74 115.46 2wwa s LYS 108 Ca -0.29 -1.04 0.08 0.00 -1.01 0.00 0.00 55.97 53.71 2wwa s LYS 108 Cb 0.06 -2.06 -0.05 0.00 -1.01 0.00 0.00 37.83 34.77 2wwa s LYS 108 CO 0.42 0.53 0.08 -0.51 0.51 0.00 0.00 175.35 176.38 2wwa s LEU 109 N -1.20 3.12 -0.02 3.17 1.43 -1.26 -2.51 118.68 121.41 2wwa s LEU 109 Ca 0.12 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.39 2wwa s LEU 109 Cb -0.10 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 44.70 2wwa s LEU 109 CO 0.02 -0.29 1.05 1.57 0.23 0.00 0.00 176.35 178.94 2wwa n HIS 110 N -1.07 0.00 -1.61 0.29 -0.00 -1.26 -4.94 115.22 106.63 2wwa n HIS 110 Ca -0.03 -0.25 -0.36 0.00 -0.00 0.00 0.00 57.72 57.07 2wwa n HIS 110 Cb 0.62 -0.08 0.08 0.00 -0.00 0.00 0.00 29.99 30.60 2wwa n HIS 110 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2wwa n LEU 111 N -0.16 5.54 -4.91 0.27 -0.00 -1.26 -5.00 117.00 111.48 2wwa n LEU 111 Ca 0.04 0.78 -0.25 0.00 -0.00 0.00 0.00 56.01 56.58 2wwa n LEU 111 Cb 0.76 -1.53 -0.00 0.00 -0.00 0.00 0.00 43.42 42.64 2wwa n LEU 111 CO -0.01 -1.21 0.06 -1.81 -0.00 0.00 0.00 177.39 174.43 2wwa s ASP 112 N -1.49 4.68 0.12 1.45 -0.00 -1.26 -5.02 116.67 115.15 2wwa s ASP 112 Ca 0.81 -1.19 -0.19 0.00 -0.00 0.00 0.00 52.55 51.98 2wwa s ASP 112 Cb -0.37 0.34 -0.06 0.00 -0.00 0.00 0.00 42.92 42.83 2wwa s ASP 112 CO 0.43 -1.09 1.77 0.50 -0.00 0.00 0.00 175.17 176.78 2wwa h LYS 113 N 0.74 0.30 0.00 8.23 3.64 -2.02 -3.29 116.57 124.16 2wwa h LYS 113 Ca -0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wwa h LYS 113 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2wwa h LYS 113 CO 0.56 0.22 -0.11 -0.25 -2.27 0.00 0.00 179.45 177.60 2wwa n ASP 114 N -4.92 1.22 -0.08 4.20 10.43 -1.26 -4.53 116.55 121.61 2wwa n ASP 114 Ca -0.03 -2.09 -0.11 0.00 2.57 0.00 0.00 54.79 55.13 2wwa n ASP 114 Cb 0.04 -0.17 -0.04 0.00 1.84 0.00 0.00 41.12 42.79 2wwa n ASP 114 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2wwa h ARG 115 N 0.00 0.44 0.00 -1.24 2.43 -1.97 -3.21 114.38 110.83 2wwa h ARG 115 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2wwa h ARG 115 Cb 0.95 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2wwa h ARG 115 CO 0.00 0.60 0.00 1.57 -1.51 0.00 0.00 179.97 180.63 2wwa h LYS 116 N 0.23 0.00 -0.22 0.20 2.10 -1.81 -3.28 116.57 113.78 2wwa h LYS 116 Ca 0.07 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.66 2wwa h LYS 116 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2wwa h LYS 116 CO 0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 179.45 177.35 2wwa h ALA 117 N 2.30 0.32 -0.35 0.07 0.00 -1.79 -1.96 119.26 117.85 2wwa h ALA 117 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2wwa h ALA 117 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2wwa h ALA 117 CO 0.00 0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 179.17 2wwa h LEU 118 N 0.18 0.77 -0.34 0.00 4.07 -1.63 -2.55 115.31 115.81 2wwa h LEU 118 Ca 0.05 -0.41 -0.06 0.00 0.08 0.00 0.00 57.88 57.54 2wwa h LEU 118 Cb 0.61 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2wwa h LEU 118 CO 0.03 1.01 -0.01 0.40 -1.08 0.00 0.00 178.44 178.79 2wwa h ILE 119 N 0.53 1.26 -0.28 1.22 2.04 -1.62 -3.21 117.51 117.46 2wwa h ILE 119 Ca 0.08 -1.00 -0.17 0.00 1.00 0.00 0.00 64.86 64.76 2wwa h ILE 119 Cb 0.72 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2wwa h ILE 119 CO 0.05 0.33 -0.51 -0.61 0.00 0.00 0.00 178.15 177.41 2wwa h GLN 120 N 0.42 0.79 -6.08 2.37 4.15 -1.40 -3.37 115.11 111.98 2wwa h GLN 120 Ca 0.10 -0.47 -0.60 0.00 0.77 0.00 0.00 58.65 58.44 2wwa h GLN 120 Cb 0.48 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.11 2wwa h GLN 120 CO 0.02 1.10 1.48 1.03 -1.93 0.00 0.00 178.83 180.53 2wwa s ARG 121 N -4.15 3.59 0.00 1.69 1.81 -0.96 -4.61 118.95 116.32 2wwa s ARG 121 Ca -0.10 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 52.78 2wwa s ARG 121 Cb 0.11 -5.34 0.00 0.00 -0.45 0.00 0.00 34.95 29.27 2wwa s ARG 121 CO 0.87 -2.20 0.00 1.17 -0.68 0.00 0.00 175.30 174.46 2wwa n LYS 122 N 8.83 0.00 0.00 3.54 0.00 -1.26 -4.84 118.16 124.43 2wwa n LYS 122 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.64 2wwa n LYS 122 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 2wwa n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wwa n GLY 123 N 0.00 0.73 0.00 3.14 0.00 -1.26 -5.11 105.19 102.69 2wwa n GLY 123 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wwa n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwa n GLY 124 N 0.00 -0.64 2.73 -0.02 0.00 -1.26 -4.67 105.19 101.33 2wwa n GLY 124 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2wwa n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wwa n LYS 125 N -0.69 -4.02 -3.25 1.61 3.00 -1.26 -5.02 118.16 108.53 2wwa n LYS 125 Ca 0.00 0.61 -0.15 0.00 -0.00 0.00 0.00 58.31 58.76 2wwa n LYS 125 Cb 0.00 -4.82 -0.06 0.00 0.00 0.00 0.00 35.03 30.14 2wwa n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wwa s LEU 126 N -5.01 -0.11 0.00 3.14 1.43 -1.26 -5.26 118.68 111.61 2wwa s LEU 126 Ca 0.07 -1.85 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 2wwa s LEU 126 Cb -0.01 0.70 0.00 0.00 0.03 0.00 0.00 46.19 46.91 2wwa s LEU 126 CO 0.52 -0.20 0.29 -0.62 0.23 0.00 0.00 176.35 176.57