#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsc n ILE 2 N 0.00 0.00 -0.20 0.53 5.41 -1.26 -4.85 119.36 118.98 2wsc n ILE 2 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2wsc n ILE 2 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.95 2wsc n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wsc h ALA 3 N -2.00 0.74 -3.00 -1.39 0.00 -2.00 -3.41 119.26 108.20 2wsc h ALA 3 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wsc h ALA 3 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wsc h ALA 3 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2wsc n GLY 4 N -0.75 -0.55 0.00 0.00 0.00 -1.26 -5.08 105.19 97.56 2wsc n GLY 4 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wsc n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsc n LEU 5 N 0.00 0.00 -4.94 0.99 7.94 0.86 -4.72 117.00 117.13 2wsc n LEU 5 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 2wsc n LEU 5 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wsc n LEU 5 CO 0.00 0.00 0.26 0.42 -1.11 0.00 0.00 177.39 176.96 2wsc s THR 6 N 2.31 4.56 0.00 1.96 -4.23 -1.20 -0.56 115.64 118.48 2wsc s THR 6 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 2wsc s THR 6 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2wsc s THR 6 CO 0.00 -0.49 0.00 -2.65 -0.54 0.00 0.00 174.62 170.94 2wsc n PRO 7 N -1.98 0.00 -0.06 3.99 -0.02 -1.22 -4.54 135.00 131.18 2wsc n PRO 7 Ca -0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 2wsc n PRO 7 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.96 2wsc n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsc h LYS 9 N 0.00 0.02 -1.80 0.00 5.09 -1.89 -3.38 116.57 114.60 2wsc h LYS 9 Ca -0.31 -0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.44 2wsc h LYS 9 Cb 1.68 -0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.77 2wsc h LYS 9 CO 0.01 0.01 0.29 -2.00 -2.09 0.00 0.00 179.45 175.68 2wsc s GLU 10 N -4.98 0.68 -0.19 0.07 -6.30 -1.26 -5.10 118.70 101.62 2wsc s GLU 10 Ca -0.05 0.78 0.05 0.00 -2.50 0.00 0.00 54.97 53.25 2wsc s GLU 10 Cb 0.23 0.33 0.17 0.00 0.00 0.00 0.00 34.13 34.86 2wsc s GLU 10 CO 0.80 -0.09 0.99 -1.13 0.02 0.00 0.00 175.26 175.85 2wsc n SER 11 N 2.39 -0.79 0.00 -1.70 3.41 -1.26 -4.38 113.62 111.29 2wsc n SER 11 Ca -0.13 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2wsc n SER 11 Cb 0.55 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 2wsc n SER 11 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wsc n LYS 12 N -0.64 0.00 -0.09 4.33 2.85 -1.26 0.30 118.16 123.65 2wsc n LYS 12 Ca -0.10 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.09 2wsc n LYS 12 Cb 0.67 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.05 2wsc n LYS 12 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 2wsc h GLN 13 N 0.00 -0.16 -0.82 -1.58 -0.00 -1.93 0.47 115.11 111.09 2wsc h GLN 13 Ca 0.00 0.01 0.20 0.00 -0.00 0.00 0.00 58.65 58.86 2wsc h GLN 13 Cb 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 27.48 27.39 2wsc h GLN 13 CO 0.00 -0.11 0.17 0.35 0.00 0.00 0.00 178.83 179.24 2wsc h PHE 14 N -0.17 0.25 0.53 3.99 3.04 -0.33 -2.85 116.94 121.41 2wsc h PHE 14 Ca 0.17 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 2wsc h PHE 14 Cb 0.43 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2wsc h PHE 14 CO -0.41 -0.18 -0.41 0.00 -2.02 0.00 0.00 178.31 175.29 2wsc h ALA 15 N 1.72 -0.98 -1.41 2.41 0.00 0.15 -1.51 119.26 119.65 2wsc h ALA 15 Ca 0.48 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 55.63 2wsc h ALA 15 Cb 0.91 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 2wsc h ALA 15 CO -0.62 -1.08 0.98 0.87 0.00 0.00 0.00 179.25 179.41 2wsc h LYS 16 N -0.93 0.07 -0.10 0.00 1.57 -1.29 0.13 116.57 116.02 2wsc h LYS 16 Ca -0.06 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2wsc h LYS 16 Cb 0.78 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wsc h LYS 16 CO 0.01 0.05 -0.07 0.00 -0.57 0.00 0.00 179.45 178.86 2wsc h ARG 17 N 0.07 0.23 -1.31 3.15 -0.00 -1.06 -1.91 114.38 113.56 2wsc h ARG 17 Ca 0.73 -0.11 0.45 0.00 -0.50 0.00 0.00 59.98 60.54 2wsc h ARG 17 Cb 2.63 -0.00 -0.14 0.00 0.00 0.00 0.00 29.97 32.46 2wsc h ARG 17 CO -0.14 0.61 0.83 0.93 0.00 0.00 0.00 179.97 182.20 2wsc h GLU 18 N -0.15 0.05 0.00 0.04 4.39 -0.31 -3.30 114.58 115.29 2wsc h GLU 18 Ca 0.02 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2wsc h GLU 18 Cb 0.56 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2wsc h GLU 18 CO 0.02 0.03 -0.68 1.63 -1.16 0.00 0.00 179.01 178.85 2wsc n LYS 19 N -4.78 0.21 -4.67 2.33 5.02 -1.12 -3.97 118.16 111.19 2wsc n LYS 19 Ca 0.38 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 56.43 2wsc n LYS 19 Cb 1.46 -0.87 -0.12 0.00 -0.02 0.00 0.00 35.03 35.49 2wsc n LYS 19 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wsc s GLN 20 N -2.32 2.84 1.17 1.97 -0.44 -0.73 -2.07 119.66 120.09 2wsc s GLN 20 Ca -0.12 -0.58 0.00 0.00 -2.50 0.00 0.00 55.36 52.15 2wsc s GLN 20 Cb 0.03 -2.59 0.00 0.00 -1.64 0.00 0.00 33.01 28.81 2wsc s GLN 20 CO 0.17 0.58 0.00 0.00 0.50 0.00 0.00 175.29 176.54 2wsc n ALA 21 N 2.47 0.00 -0.13 1.58 0.00 -1.26 -4.44 120.51 118.73 2wsc n ALA 21 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2wsc n ALA 21 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wsc n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wsc n LEU 22 N 0.00 -0.27 -0.34 0.00 4.32 -1.25 -1.81 117.00 117.65 2wsc n LEU 22 Ca 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 2wsc n LEU 22 Cb 0.00 -0.11 0.02 0.00 -1.62 0.00 0.00 43.42 41.71 2wsc n LEU 22 CO 0.00 -0.51 0.39 0.29 -1.22 0.00 0.00 177.39 176.34 2wsc n LYS 23 N -4.46 1.14 0.00 3.23 4.76 -0.88 0.40 118.16 122.35 2wsc n LYS 23 Ca 0.02 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2wsc n LYS 23 Cb 0.12 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2wsc n LYS 23 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wsc n LYS 24 N -0.17 5.28 0.00 1.97 4.01 -0.75 0.17 118.16 128.67 2wsc n LYS 24 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2wsc n LYS 24 Cb 0.17 -0.47 0.00 0.00 -0.51 0.00 0.00 35.03 34.22 2wsc n LYS 24 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wsc n LEU 25 N -0.87 0.00 0.00 -0.35 4.32 1.34 -3.54 117.00 117.90 2wsc n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wsc n LEU 25 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wsc n LEU 25 CO 0.00 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 177.84 2wsc n GLN 26 N -0.80 0.00 -0.19 3.23 0.00 0.13 -4.51 117.38 115.24 2wsc n GLN 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wsc n GLN 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2wsc n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wsc n ALA 27 N -3.00 0.00 -3.30 1.69 0.00 -1.23 -4.73 120.51 109.94 2wsc n ALA 27 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2wsc n ALA 27 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wsc n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wsc n SER 28 N 0.00 -0.20 -0.01 0.00 7.64 -1.26 -5.00 113.62 114.78 2wsc n SER 28 Ca 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 58.87 57.36 2wsc n SER 28 Cb 0.00 -0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2wsc n SER 28 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wsc n LEU 29 N 2.18 -0.02 0.00 -3.43 7.94 -1.26 -3.93 117.00 118.48 2wsc n LEU 29 Ca 0.26 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2wsc n LEU 29 Cb 0.50 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2wsc n LEU 29 CO 0.13 -0.48 0.00 2.29 -1.11 0.00 0.00 177.39 178.21 2wsc n LYS 30 N -2.98 3.56 0.00 1.96 2.85 -1.26 -5.12 118.16 117.17 2wsc n LYS 30 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wsc n LYS 30 Cb 0.01 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.39 2wsc n LYS 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wsc n LEU 31 N 0.00 0.00 -4.63 -5.58 4.77 -1.25 -5.05 117.00 105.25 2wsc n LEU 31 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2wsc n LEU 31 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wsc n LEU 31 CO 0.00 0.00 1.38 -0.72 -1.33 0.00 0.00 177.39 176.72 2wsc s TYR 32 N 0.00 2.08 -0.31 -1.77 -0.85 -1.26 -4.98 117.35 110.26 2wsc s TYR 32 Ca 0.00 0.53 0.12 0.00 -0.52 0.00 0.00 57.07 57.20 2wsc s TYR 32 Cb 0.00 -3.98 0.38 0.00 0.38 0.00 0.00 41.96 38.73 2wsc s TYR 32 CO 0.00 -2.99 1.50 0.00 -1.52 0.00 0.00 175.55 172.54 2wsc n ALA 33 N 8.46 2.94 0.00 9.51 0.00 -1.26 -4.81 120.51 135.35 2wsc n ALA 33 Ca 0.19 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2wsc n ALA 33 Cb 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2wsc n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wsc n ASP 34 N -1.44 0.00 0.00 0.00 4.64 -1.26 -2.72 116.55 115.78 2wsc n ASP 34 Ca -0.19 0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 2wsc n ASP 34 Cb 0.86 -0.17 0.00 0.00 -1.04 0.00 0.00 41.12 40.77 2wsc n ASP 34 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2wsc n ASP 35 N -1.11 0.00 -4.76 1.67 5.68 -1.26 -5.16 116.55 111.60 2wsc n ASP 35 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 2wsc n ASP 35 Cb 0.23 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 2wsc n ASP 35 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2wsc s SER 36 N 0.00 5.78 -0.40 -1.12 0.01 -1.10 -5.00 113.70 111.87 2wsc s SER 36 Ca 0.00 2.39 0.05 0.00 1.31 0.00 0.00 55.95 59.71 2wsc s SER 36 Cb 0.00 -2.61 0.62 0.00 0.21 0.00 0.00 66.02 64.25 2wsc s SER 36 CO 0.00 -1.19 1.78 0.00 0.41 0.00 0.00 173.24 174.24 2wsc n ALA 37 N -0.87 5.22 -0.08 1.44 0.00 -1.26 -4.76 120.51 120.19 2wsc n ALA 37 Ca 0.09 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.57 2wsc n ALA 37 Cb 0.48 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wsc n ALA 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wsc n PRO 38 N -1.12 0.00 -1.63 0.00 -0.04 -1.26 -5.08 135.00 125.86 2wsc n PRO 38 Ca 0.52 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.79 2wsc n PRO 38 Cb 1.49 -0.02 -0.06 0.00 -0.04 0.00 0.00 33.50 34.87 2wsc n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wsc s ALA 39 N -2.05 0.95 -0.31 0.55 0.00 -1.26 -4.87 121.76 114.77 2wsc s ALA 39 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wsc s ALA 39 Cb 0.00 -4.54 0.35 0.00 0.00 0.00 0.00 23.12 18.93 2wsc s ALA 39 CO 0.00 -5.57 1.71 -0.11 0.00 0.00 0.00 175.76 171.78 2wsc n LEU 40 N 17.69 5.73 0.00 0.00 7.94 -1.26 -4.31 117.00 142.79 2wsc n LEU 40 Ca 0.44 -3.01 0.00 0.00 -1.11 0.00 0.00 56.01 52.33 2wsc n LEU 40 Cb 0.45 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.59 2wsc n LEU 40 CO 0.57 0.98 0.21 0.00 -1.11 0.00 0.00 177.39 178.05 2wsc n ALA 41 N -0.29 -0.20 0.00 1.96 0.00 -1.26 -3.59 120.51 117.13 2wsc n ALA 41 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2wsc n ALA 41 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.44 2wsc n ALA 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wsc n ILE 42 N -1.81 0.00 -3.82 0.00 -5.35 -1.26 -3.54 119.36 103.57 2wsc n ILE 42 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 2wsc n ILE 42 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2wsc n ILE 42 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wsc s LYS 43 N 0.00 3.96 0.87 6.28 -0.14 -1.24 -4.85 119.74 124.62 2wsc s LYS 43 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2wsc s LYS 43 Cb 0.00 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.78 2wsc s LYS 43 CO 0.00 0.10 0.00 0.00 -0.76 0.00 0.00 175.35 174.69 2wsc n ALA 44 N 4.09 0.00 0.00 5.17 0.00 -1.23 -4.65 120.51 123.89 2wsc n ALA 44 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wsc n ALA 44 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wsc n ALA 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wsc n THR 45 N -0.05 0.00 0.00 0.00 -1.04 -1.26 -4.05 114.28 107.87 2wsc n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wsc n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wsc n THR 45 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2wsc n MET 46 N 0.00 0.00 -0.05 -2.82 -0.00 -1.25 -3.88 117.12 109.12 2wsc n MET 46 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 57.75 2wsc n MET 46 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 33.22 33.30 2wsc n MET 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wsc n GLU 47 N 0.00 0.00 0.01 3.17 2.13 -1.26 0.31 120.64 125.00 2wsc n GLU 47 Ca 0.00 0.16 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 2wsc n GLU 47 Cb 0.00 -0.39 -0.13 0.00 0.27 0.00 0.00 31.44 31.19 2wsc n GLU 47 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2wsc h LYS 48 N 0.00 0.02 -0.00 5.31 5.09 -1.82 0.28 116.57 125.46 2wsc h LYS 48 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.79 2wsc h LYS 48 Cb 0.48 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.82 2wsc h LYS 48 CO -0.00 0.72 -0.51 0.25 -2.09 0.00 0.00 179.45 177.82 2wsc n THR 49 N -3.19 0.00 -0.06 0.07 -2.24 0.90 -4.62 114.28 105.16 2wsc n THR 49 Ca -0.12 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 2wsc n THR 49 Cb 1.01 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 2wsc n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wsc n LYS 50 N -1.45 0.37 0.31 -0.78 5.02 0.18 -4.47 118.16 117.33 2wsc n LYS 50 Ca 0.06 0.15 0.16 0.00 -2.02 0.00 0.00 58.31 56.66 2wsc n LYS 50 Cb 0.34 -1.15 0.84 0.00 -0.02 0.00 0.00 35.03 35.03 2wsc n LYS 50 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wsc h LYS 51 N -0.69 0.00 -4.05 1.97 1.63 -0.64 0.11 116.57 114.90 2wsc h LYS 51 Ca -0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2wsc h LYS 51 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2wsc h LYS 51 CO -0.05 0.00 0.30 0.54 -3.45 0.00 0.00 179.45 176.79 2wsc n ARG 52 N -2.80 0.00 0.00 1.90 3.00 -1.26 -4.79 116.66 112.71 2wsc n ARG 52 Ca -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 2wsc n ARG 52 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2wsc n ARG 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2wsc n PHE 53 N 3.28 -0.22 0.00 -1.55 3.72 0.37 -4.69 117.46 118.37 2wsc n PHE 53 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2wsc n PHE 53 Cb 0.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2wsc n PHE 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wsc n ASP 54 N 0.00 0.00 -4.10 4.37 5.68 -1.26 -4.24 116.55 117.00 2wsc n ASP 54 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 2wsc n ASP 54 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2wsc n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wsc s ASN 55 N -0.74 1.33 0.00 -1.12 2.20 -1.26 -4.95 114.94 110.40 2wsc s ASN 55 Ca 0.00 -0.45 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2wsc s ASN 55 Cb 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 41.25 39.19 2wsc s ASN 55 CO 0.00 -0.03 0.85 -1.22 -2.94 0.00 0.00 177.10 173.76 2wsc n TYR 56 N 1.86 0.00 0.00 1.54 4.02 -1.26 -4.50 117.16 118.82 2wsc n TYR 56 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 2wsc n TYR 56 Cb 0.55 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2wsc n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wsc n GLY 57 N 0.00 0.92 0.00 2.72 0.00 -1.26 -4.90 105.19 102.67 2wsc n GLY 57 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2wsc n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wsc n LYS 58 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.06 118.16 118.47 2wsc n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wsc n LYS 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wsc n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wsc n TYR 59 N 0.00 0.00 0.00 2.13 0.53 -1.26 -4.43 117.16 114.13 2wsc n TYR 59 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2wsc n TYR 59 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 39.34 37.86 2wsc n TYR 59 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wsc n GLY 60 N 0.37 1.23 1.59 2.72 0.00 -1.26 -4.91 105.19 104.94 2wsc n GLY 60 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2wsc n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wsc n LEU 61 N 0.00 -4.29 -0.04 0.99 4.32 -1.26 -3.74 117.00 112.98 2wsc n LEU 61 Ca 0.00 1.49 -0.13 0.00 -0.02 0.00 0.00 56.01 57.35 2wsc n LEU 61 Cb 0.00 -2.13 -0.08 0.00 -1.62 0.00 0.00 43.42 39.59 2wsc n LEU 61 CO 0.00 -1.35 0.58 -0.07 -1.22 0.00 0.00 177.39 175.33 2wsc h LEU 62 N 2.16 0.26 -1.69 2.23 -0.00 -1.83 -3.23 115.31 113.21 2wsc h LEU 62 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2wsc h LEU 62 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2wsc h LEU 62 CO 0.00 0.74 -0.84 0.00 -0.00 0.00 0.00 178.44 178.33 2wsc n GLY 64 N 1.60 1.48 3.85 0.00 0.00 -0.76 -0.10 105.19 111.27 2wsc n GLY 64 Ca 0.00 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2wsc n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wsc s SER 65 N -1.00 6.76 0.00 1.61 1.04 -1.26 -2.52 113.70 118.33 2wsc s SER 65 Ca 0.00 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2wsc s SER 65 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2wsc s SER 65 CO 0.00 0.00 0.00 -0.67 0.98 0.00 0.00 173.24 173.55 2wsc n ASP 66 N 0.33 0.00 0.00 7.02 2.03 -1.26 -4.46 116.55 120.20 2wsc n ASP 66 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2wsc n ASP 66 Cb 0.52 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2wsc n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wsc n GLY 67 N -1.84 0.35 3.75 0.27 0.00 -1.05 -4.25 105.19 102.43 2wsc n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wsc n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wsc s LEU 68 N 0.00 4.38 -0.02 0.99 2.01 -1.26 -4.44 118.68 120.34 2wsc s LEU 68 Ca 0.00 2.76 -0.24 0.00 0.01 0.00 0.00 54.13 56.66 2wsc s LEU 68 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 46.19 42.52 2wsc s LEU 68 CO 0.00 -0.73 0.71 -2.16 1.01 0.00 0.00 176.35 175.18 2wsc s PRO 69 N -0.84 4.44 0.14 1.29 0.05 -1.26 -1.83 135.00 136.98 2wsc s PRO 69 Ca 0.57 0.92 0.04 0.00 0.05 0.00 0.00 61.00 62.58 2wsc s PRO 69 Cb -0.43 -3.40 -0.04 0.00 0.05 0.00 0.00 34.50 30.68 2wsc s PRO 69 CO 0.48 0.18 0.18 -1.01 0.05 0.00 0.00 177.00 176.88 2wsc s HIS 70 N 0.36 3.29 -0.31 0.56 3.76 -1.26 -4.71 115.29 116.98 2wsc s HIS 70 Ca 0.37 0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 55.26 2wsc s HIS 70 Cb -0.19 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 31.91 2wsc s HIS 70 CO 0.20 0.52 0.11 -0.48 -0.85 0.00 0.00 174.74 174.24 2wsc s LEU 71 N -3.00 3.99 0.00 0.89 2.34 -1.26 -3.57 118.68 118.07 2wsc s LEU 71 Ca 0.32 -0.70 0.00 0.00 0.06 0.00 0.00 54.13 53.81 2wsc s LEU 71 Cb -0.11 -1.92 0.00 0.00 -0.56 0.00 0.00 46.19 43.60 2wsc s LEU 71 CO 0.25 -0.21 0.00 -0.38 -1.06 0.00 0.00 176.35 174.95 2wsc n ILE 72 N 4.90 0.00 -2.91 1.48 -0.00 -1.26 -5.06 119.36 116.51 2wsc n ILE 72 Ca -0.14 0.25 -0.03 0.00 -0.00 0.00 0.00 62.75 62.83 2wsc n ILE 72 Cb 0.48 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 39.26 2wsc n ILE 72 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 2wsc n VAL 73 N -1.41 -8.84 -0.83 1.39 3.14 -1.26 -4.98 118.33 105.55 2wsc n VAL 73 Ca 0.00 1.28 0.00 0.00 -2.96 0.00 0.00 64.34 62.66 2wsc n VAL 73 Cb 0.00 -5.76 0.00 0.00 -1.06 0.00 0.00 33.84 27.02 2wsc n VAL 73 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2wsc n SER 74 N 0.68 0.10 -2.29 6.55 7.64 -1.22 -5.04 113.62 120.04 2wsc n SER 74 Ca 0.01 -0.93 -0.02 0.00 1.01 0.00 0.00 58.87 58.95 2wsc n SER 74 Cb 0.23 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2wsc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsc n GLY 75 N 0.01 -0.88 0.00 0.23 0.00 -1.03 -5.05 105.19 98.47 2wsc n GLY 75 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2wsc n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wsc n ASP 76 N -1.05 0.00 0.00 1.61 5.75 -1.25 -5.01 116.55 116.61 2wsc n ASP 76 Ca 0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 2wsc n ASP 76 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2wsc n ASP 76 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2wsc n GLN 77 N 0.00 0.00 0.00 0.11 0.00 -1.26 -2.20 117.38 114.03 2wsc n GLN 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wsc n GLN 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2wsc n GLN 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wsc n ARG 78 N 0.00 0.38 -3.05 3.69 5.12 -1.26 -5.10 116.66 116.44 2wsc n ARG 78 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 2wsc n ARG 78 Cb 0.00 -0.23 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 2wsc n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2wsc s HIS 79 N -0.86 2.92 0.00 -1.55 0.09 -0.93 -4.68 115.29 110.28 2wsc s HIS 79 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 55.06 54.22 2wsc s HIS 79 Cb 0.00 -4.06 0.00 0.00 -0.00 0.00 0.00 32.58 28.52 2wsc s HIS 79 CO 0.00 -1.37 0.00 0.91 -0.00 0.00 0.00 174.74 174.28 2wsc n TRP 80 N 6.66 0.00 -1.83 1.40 7.02 -1.26 -2.45 117.44 126.97 2wsc n TRP 80 Ca -0.08 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.06 2wsc n TRP 80 Cb 0.43 0.07 -0.01 0.00 -2.42 0.00 0.00 31.31 29.38 2wsc n TRP 80 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wsc n GLY 81 N 2.84 5.04 0.06 6.99 0.00 -1.26 -3.57 105.19 115.30 2wsc n GLY 81 Ca 0.00 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.89 2wsc n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wsc n GLU 82 N 0.47 1.86 0.00 1.61 1.02 -1.26 -4.53 120.64 119.81 2wsc n GLU 82 Ca 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 2wsc n GLU 82 Cb 0.37 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2wsc n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wsc n PHE 83 N -0.83 -1.96 0.01 -0.32 7.35 -1.25 -4.92 117.46 115.55 2wsc n PHE 83 Ca 0.07 0.02 -0.01 0.00 -0.76 0.00 0.00 57.45 56.77 2wsc n PHE 83 Cb 0.46 0.42 -0.00 0.00 0.35 0.00 0.00 39.48 40.71 2wsc n PHE 83 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2wsc h ILE 84 N 0.00 0.00 -0.85 -2.13 1.08 -1.88 2.74 117.51 116.47 2wsc h ILE 84 Ca 0.00 -0.15 0.16 0.00 -0.39 0.00 0.00 64.86 64.48 2wsc h ILE 84 Cb 0.00 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.59 2wsc h ILE 84 CO 0.00 0.00 -0.23 0.41 -0.69 0.00 0.00 178.15 177.64 2wsc n THR 85 N -2.56 -0.37 -0.11 -0.27 -1.04 -1.26 0.45 114.28 109.12 2wsc n THR 85 Ca -0.01 1.96 0.07 0.00 -2.04 0.00 0.00 64.05 64.03 2wsc n THR 85 Cb 0.02 -2.69 0.28 0.00 -1.82 0.00 0.00 70.33 66.12 2wsc n THR 85 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wsc n PRO 86 N -5.37 3.12 -0.10 -2.82 -0.04 -1.24 -3.77 135.00 124.79 2wsc n PRO 86 Ca 0.13 -2.21 -0.12 0.00 -0.04 0.00 0.00 63.50 61.26 2wsc n PRO 86 Cb 0.41 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 2wsc n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wsc n GLY 87 N 0.95 -0.56 0.37 0.55 0.00 1.58 -3.44 105.19 104.64 2wsc n GLY 87 Ca 0.20 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2wsc n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wsc h ILE 88 N -1.00 0.96 -0.30 -0.61 2.04 -0.37 -0.26 117.51 117.97 2wsc h ILE 88 Ca -0.10 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2wsc h ILE 88 Cb 1.05 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2wsc h ILE 88 CO -0.06 0.16 -0.15 0.25 0.00 0.00 0.00 178.15 178.35 2wsc h LEU 89 N 0.88 -0.52 -1.04 1.44 5.85 -1.72 1.03 115.31 121.24 2wsc h LEU 89 Ca 0.41 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.28 2wsc h LEU 89 Cb 0.42 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2wsc h LEU 89 CO -0.18 -0.19 0.65 0.15 -0.34 0.00 0.00 178.44 178.53 2wsc h PHE 90 N -0.11 1.22 0.65 1.25 3.57 -1.13 -1.89 116.94 120.49 2wsc h PHE 90 Ca 0.16 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wsc h PHE 90 Cb 0.35 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 38.69 2wsc h PHE 90 CO -0.35 0.74 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.08 2wsc h LEU 91 N 1.29 -0.74 -0.77 0.59 -0.00 0.39 -2.82 115.31 113.25 2wsc h LEU 91 Ca 0.38 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.44 2wsc h LEU 91 Cb -0.08 0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 40.67 2wsc h LEU 91 CO -0.10 -0.50 0.27 0.22 -0.00 0.00 0.00 178.44 178.33 2wsc h TYR 92 N -0.92 0.45 0.51 1.13 -0.00 0.12 -2.83 116.97 115.42 2wsc h TYR 92 Ca -0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.66 2wsc h TYR 92 Cb 0.67 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.32 2wsc h TYR 92 CO 0.07 -0.01 -0.24 0.82 -0.00 0.00 0.00 178.16 178.79 2wsc h ILE 93 N 0.37 0.00 -3.19 1.81 5.03 -1.43 -3.09 117.51 117.01 2wsc h ILE 93 Ca 0.44 -0.06 -0.45 0.00 -0.12 0.00 0.00 64.86 64.67 2wsc h ILE 93 Cb 0.73 0.00 0.22 0.00 -3.03 0.00 0.00 36.82 34.74 2wsc h ILE 93 CO -0.46 0.00 -0.18 0.00 -0.68 0.00 0.00 178.15 176.83 2wsc n ALA 94 N -2.39 -2.89 0.00 1.87 0.00 -1.06 -2.04 120.51 113.99 2wsc n ALA 94 Ca -0.08 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2wsc n ALA 94 Cb 0.27 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2wsc n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsc n GLY 95 N 1.12 0.97 1.12 0.00 0.00 -1.26 -4.20 105.19 102.94 2wsc n GLY 95 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2wsc n GLY 95 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2wsc n TRP 96 N 0.00 0.83 -0.03 1.61 4.27 -0.90 0.16 117.44 123.37 2wsc n TRP 96 Ca 0.00 -0.41 -0.19 0.00 -3.89 0.00 0.00 57.50 53.02 2wsc n TRP 96 Cb 0.00 -0.01 -0.14 0.00 -1.36 0.00 0.00 31.31 29.80 2wsc n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 2wsc n ILE 97 N 1.24 1.68 0.26 -1.67 2.08 -0.87 -4.51 119.36 117.57 2wsc n ILE 97 Ca 0.20 -0.66 0.05 0.00 0.56 0.00 0.00 62.75 62.90 2wsc n ILE 97 Cb 0.52 -1.52 -0.07 0.00 -0.75 0.00 0.00 39.64 37.83 2wsc n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsc n GLY 98 N 2.00 -0.18 0.35 7.39 0.00 -1.24 -2.12 105.19 111.39 2wsc n GLY 98 Ca -0.34 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2wsc n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2wsc h TRP 99 N 0.00 0.88 0.00 1.61 -0.00 -0.56 0.59 115.95 118.47 2wsc h TRP 99 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.83 2wsc h TRP 99 Cb 0.34 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 2wsc h TRP 99 CO 0.00 0.49 -1.00 -0.39 -0.00 0.00 0.00 178.44 177.54 2wsc h VAL 100 N 0.89 0.33 0.11 2.65 -1.51 -1.77 -3.24 116.25 113.71 2wsc h VAL 100 Ca 0.32 -1.59 0.01 0.00 -1.23 0.00 0.00 66.70 64.21 2wsc h VAL 100 Cb 0.14 1.91 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 2wsc h VAL 100 CO -0.10 0.19 -0.44 1.23 -1.23 0.00 0.00 177.57 177.22 2wsc h GLY 101 N 3.81 -1.18 -3.52 5.19 0.00 -0.78 0.29 103.07 106.88 2wsc h GLY 101 Ca -0.07 0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 2wsc h GLY 101 CO 0.03 -0.30 0.00 -2.13 0.00 0.00 0.00 176.54 174.13 2wsc n ARG 102 N -4.93 0.49 0.05 4.80 0.63 0.20 -3.80 116.66 114.09 2wsc n ARG 102 Ca -0.07 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2wsc n ARG 102 Cb 0.34 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2wsc n ARG 102 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2wsc n SER 103 N 1.76 -0.49 -2.37 6.15 3.41 -0.47 -4.37 113.62 117.25 2wsc n SER 103 Ca 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.72 2wsc n SER 103 Cb 0.24 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.75 2wsc n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wsc n TYR 104 N -2.76 0.13 0.01 7.33 -0.00 -0.03 -1.22 117.16 120.62 2wsc n TYR 104 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 57.90 57.09 2wsc n TYR 104 Cb 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 39.34 38.33 2wsc n TYR 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2wsc n LEU 105 N 2.96 -0.20 0.00 2.98 4.77 -1.25 -4.89 117.00 121.37 2wsc n LEU 105 Ca 0.22 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2wsc n LEU 105 Cb 0.39 0.49 0.15 0.00 -2.33 0.00 0.00 43.42 42.12 2wsc n LEU 105 CO 0.25 -0.47 0.54 -0.38 -1.33 0.00 0.00 177.39 175.99 2wsc n ILE 106 N -2.57 0.00 1.05 -0.08 5.41 -0.36 -1.75 119.36 121.06 2wsc n ILE 106 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 2wsc n ILE 106 Cb 0.00 -0.16 0.31 0.00 -0.71 0.00 0.00 39.64 39.09 2wsc n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wsc n ALA 107 N -0.59 2.50 -3.00 -1.39 0.00 -0.89 -4.92 120.51 112.22 2wsc n ALA 107 Ca 0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2wsc n ALA 107 Cb 0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 2wsc n ALA 107 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wsc s ILE 108 N -1.83 0.00 0.00 0.00 2.07 -0.72 -4.88 121.20 115.85 2wsc s ILE 108 Ca 0.34 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 2wsc s ILE 108 Cb 0.20 -0.19 0.00 0.00 0.13 0.00 0.00 42.46 42.60 2wsc s ILE 108 CO 0.30 -0.02 0.00 -2.11 -1.91 0.00 0.00 174.94 171.20 2wsc n ARG 109 N 2.94 0.00 -1.42 3.50 1.85 -1.26 -4.95 116.66 117.31 2wsc n ARG 109 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2wsc n ARG 109 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 2wsc n ARG 109 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wsc n ASP 110 N 0.00 0.00 0.00 2.89 9.92 -1.26 -4.99 116.55 123.10 2wsc n ASP 110 Ca 0.00 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 2wsc n ASP 110 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wsc n ASP 110 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wsc n GLU 111 N 0.00 0.00 -3.59 -1.24 0.00 -1.26 -4.44 120.64 110.12 2wsc n GLU 111 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 2wsc n GLU 111 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2wsc n GLU 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wsc n LYS 112 N 0.00 0.85 -1.50 5.31 4.01 -1.26 -5.03 118.16 120.54 2wsc n LYS 112 Ca 0.00 -2.25 -0.41 0.00 -0.51 0.00 0.00 58.31 55.13 2wsc n LYS 112 Cb 0.00 1.04 -0.10 0.00 -0.51 0.00 0.00 35.03 35.46 2wsc n LYS 112 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2wsc n LYS 113 N -0.65 0.42 -2.86 1.97 3.00 -1.26 -4.85 118.16 113.92 2wsc n LYS 113 Ca -0.06 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 57.90 2wsc n LYS 113 Cb 0.40 -2.18 -0.01 0.00 0.00 0.00 0.00 35.03 33.24 2wsc n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wsc n PRO 114 N 8.57 4.47 -1.33 1.64 -0.04 -1.26 -4.88 135.00 142.17 2wsc n PRO 114 Ca 0.54 -4.69 -0.15 0.00 -0.04 0.00 0.00 63.50 59.16 2wsc n PRO 114 Cb 0.20 -2.41 0.11 0.00 -0.04 0.00 0.00 33.50 31.37 2wsc n PRO 114 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wsc n THR 115 N 0.29 2.67 0.00 0.52 -2.24 -1.26 -4.65 114.28 109.60 2wsc n THR 115 Ca 0.37 -3.40 0.00 0.00 -2.27 0.00 0.00 64.05 58.75 2wsc n THR 115 Cb 0.32 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2wsc n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wsc n GLN 116 N -0.94 0.00 0.00 -0.78 6.02 -1.26 -4.99 117.38 115.44 2wsc n GLN 116 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2wsc n GLN 116 Cb 0.92 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.18 2wsc n GLN 116 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wsc n LYS 117 N 0.00 0.00 -0.01 -1.09 4.76 -1.26 -2.25 118.16 118.31 2wsc n LYS 117 Ca 0.00 0.17 0.09 0.00 -2.87 0.00 0.00 58.31 55.71 2wsc n LYS 117 Cb 0.00 -1.64 -0.13 0.00 -1.84 0.00 0.00 35.03 31.41 2wsc n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wsc n GLU 118 N -1.09 0.66 0.23 1.97 4.71 -1.26 -3.55 120.64 122.30 2wsc n GLU 118 Ca 0.00 -0.11 0.13 0.00 -0.01 0.00 0.00 57.16 57.16 2wsc n GLU 118 Cb 0.14 -1.44 0.27 0.00 -1.01 0.00 0.00 31.44 29.40 2wsc n GLU 118 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2wsc h ILE 119 N 0.00 0.03 -1.88 -3.67 3.07 -1.88 -3.41 117.51 109.78 2wsc h ILE 119 Ca 0.00 -0.95 -0.51 0.00 1.55 0.00 0.00 64.86 64.95 2wsc h ILE 119 Cb 0.73 1.92 -0.05 0.00 -0.27 0.00 0.00 36.82 39.14 2wsc h ILE 119 CO 0.00 0.02 -0.48 0.27 -1.05 0.00 0.00 178.15 176.91 2wsc s ILE 120 N -3.29 3.41 -0.14 0.16 -5.25 -1.23 -5.14 121.20 109.71 2wsc s ILE 120 Ca 0.06 -1.48 0.00 0.00 -0.99 0.00 0.00 60.65 58.24 2wsc s ILE 120 Cb 0.06 -3.12 0.03 0.00 2.95 0.00 0.00 42.46 42.37 2wsc s ILE 120 CO 0.65 -0.19 -0.11 0.27 -1.79 0.00 0.00 174.94 173.77 2wsc s ILE 121 N -2.34 1.37 0.16 8.37 -4.36 -1.26 -4.85 121.20 118.30 2wsc s ILE 121 Ca 0.39 -0.56 -0.18 0.00 -0.26 0.00 0.00 60.65 60.04 2wsc s ILE 121 Cb -0.05 -1.35 0.06 0.00 1.25 0.00 0.00 42.46 42.37 2wsc s ILE 121 CO 0.25 0.38 1.67 -0.78 0.24 0.00 0.00 174.94 176.70 2wsc h ASP 122 N 8.09 -0.37 -3.25 4.36 1.82 -1.95 -3.29 116.42 121.83 2wsc h ASP 122 Ca -0.34 0.11 -0.55 0.00 -0.39 0.00 0.00 57.03 55.86 2wsc h ASP 122 Cb 1.13 0.23 -0.37 0.00 0.68 0.00 0.00 39.33 41.00 2wsc h ASP 122 CO 0.48 -0.13 -0.80 0.68 -1.61 0.00 0.00 179.24 177.85 2wsc s VAL 123 N -6.20 1.14 0.06 2.25 -7.23 -1.26 -5.06 120.40 104.09 2wsc s VAL 123 Ca -0.14 -0.51 -0.31 0.00 -1.81 0.00 0.00 61.98 59.22 2wsc s VAL 123 Cb 0.13 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.77 2wsc s VAL 123 CO 0.70 0.25 1.66 -2.16 -0.31 0.00 0.00 175.10 175.24 2wsc s PRO 124 N 1.64 4.20 0.00 4.82 0.04 -1.24 0.22 135.00 144.67 2wsc s PRO 124 Ca 0.03 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2wsc s PRO 124 Cb -0.14 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2wsc s PRO 124 CO -0.08 -0.75 0.00 1.28 0.04 0.00 0.00 177.00 177.49 2wsc n LEU 125 N 5.78 0.00 0.00 -3.56 4.77 -1.26 -1.80 117.00 120.93 2wsc n LEU 125 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2wsc n LEU 125 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wsc n LEU 125 CO 0.63 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.69 2wsc n ALA 126 N 0.21 0.00 0.00 -1.18 0.00 0.59 -4.79 120.51 115.34 2wsc n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsc n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsc n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wsc n SER 127 N 0.00 0.00 0.07 0.00 2.88 -0.75 -3.22 113.62 112.60 2wsc n SER 127 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wsc n SER 127 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wsc n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2wsc n SER 128 N 0.00 -1.25 0.00 -3.46 3.41 -1.26 -4.82 113.62 106.24 2wsc n SER 128 Ca 0.00 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2wsc n SER 128 Cb 0.00 1.44 0.72 0.00 -0.26 0.00 0.00 64.21 66.11 2wsc n SER 128 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wsc n LEU 129 N -2.75 0.00 0.00 1.04 4.77 -1.20 -4.61 117.00 114.26 2wsc n LEU 129 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2wsc n LEU 129 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2wsc n LEU 129 CO 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.05 2wsc n LEU 130 N -1.29 0.00 0.00 2.23 -0.00 -1.26 -2.12 117.00 114.56 2wsc n LEU 130 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 2wsc n LEU 130 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2wsc n LEU 130 CO 0.22 0.00 0.41 0.49 -0.00 0.00 0.00 177.39 178.51 2wsc n PHE 131 N 0.00 0.00 -0.47 1.47 3.01 -1.26 -3.38 117.46 116.82 2wsc n PHE 131 Ca 0.00 0.00 0.41 0.00 1.01 0.00 0.00 57.45 58.87 2wsc n PHE 131 Cb 0.00 -0.32 0.63 0.00 -0.01 0.00 0.00 39.48 39.78 2wsc n PHE 131 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wsc n ARG 132 N -1.32 0.01 0.05 -1.08 5.12 -0.90 0.27 116.66 118.81 2wsc n ARG 132 Ca 0.00 1.03 -0.11 0.00 -1.93 0.00 0.00 57.85 56.84 2wsc n ARG 132 Cb 0.00 -2.45 -0.07 0.00 -1.16 0.00 0.00 32.46 28.77 2wsc n ARG 132 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wsc h GLY 133 N 0.00 -0.23 1.96 -0.13 0.00 -1.79 0.66 103.07 103.55 2wsc h GLY 133 Ca 0.72 0.09 -0.11 0.00 0.00 0.00 0.00 47.33 48.03 2wsc h GLY 133 CO -0.01 -0.08 -0.49 -2.75 0.00 0.00 0.00 176.54 173.21 2wsc h PHE 134 N -0.87 0.05 -0.01 5.60 3.57 -1.01 0.19 116.94 124.46 2wsc h PHE 134 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2wsc h PHE 134 Cb 0.52 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2wsc h PHE 134 CO 0.08 0.52 0.00 0.45 -2.23 0.00 0.00 178.31 177.14 2wsc n SER 135 N -3.96 1.49 -4.32 0.41 2.88 0.14 -4.07 113.62 106.21 2wsc n SER 135 Ca -0.02 -2.01 -0.46 0.00 -1.33 0.00 0.00 58.87 55.05 2wsc n SER 135 Cb 0.51 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 2wsc n SER 135 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2wsc s TRP 136 N -0.80 3.47 0.11 0.66 -0.00 0.67 -4.81 118.94 118.23 2wsc s TRP 136 Ca 0.01 -1.60 -0.19 0.00 -0.00 0.00 0.00 56.10 54.31 2wsc s TRP 136 Cb 0.01 -3.80 -0.07 0.00 -0.00 0.00 0.00 33.47 29.60 2wsc s TRP 136 CO 0.00 -1.01 0.60 -1.25 -0.00 0.00 0.00 176.95 175.30 2wsc s PRO 137 N 0.98 4.21 0.00 5.86 0.05 -1.26 -4.86 135.00 139.98 2wsc s PRO 137 Ca 0.09 0.76 0.00 0.00 0.05 0.00 0.00 61.00 61.90 2wsc s PRO 137 Cb -0.21 -3.16 0.00 0.00 0.05 0.00 0.00 34.50 31.17 2wsc s PRO 137 CO -0.02 0.59 0.00 0.28 0.05 0.00 0.00 177.00 177.89 2wsc n VAL 138 N 1.47 0.00 0.00 -0.36 0.31 -1.26 -4.85 118.33 113.64 2wsc n VAL 138 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wsc n VAL 138 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2wsc n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsc n ALA 139 N 0.33 0.00 0.16 3.52 0.00 -1.26 -2.15 120.51 121.11 2wsc n ALA 139 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2wsc n ALA 139 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 2wsc n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsc h ALA 140 N -0.64 1.86 0.00 0.00 0.00 -1.93 -0.08 119.26 118.46 2wsc h ALA 140 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wsc h ALA 140 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wsc h ALA 140 CO 0.00 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.03 2wsc n TYR 141 N -4.49 0.00 0.08 0.00 0.53 -0.91 -2.29 117.16 110.07 2wsc n TYR 141 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 2wsc n TYR 141 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.40 2wsc n TYR 141 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wsc n ARG 142 N -0.68 0.00 0.27 -0.72 5.12 -0.74 -4.91 116.66 115.00 2wsc n ARG 142 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 2wsc n ARG 142 Cb 0.00 0.00 0.74 0.00 -1.16 0.00 0.00 32.46 32.04 2wsc n ARG 142 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2wsc h GLU 143 N 0.00 0.00 0.40 5.56 4.57 -1.16 1.06 114.58 125.01 2wsc h GLU 143 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2wsc h GLU 143 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wsc h GLU 143 CO 0.00 0.08 -0.19 1.25 -1.18 0.00 0.00 179.01 178.97 2wsc h LEU 144 N 0.00 -0.46 0.00 1.64 5.85 -1.59 -3.31 115.31 117.44 2wsc h LEU 144 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wsc h LEU 144 Cb 0.19 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2wsc h LEU 144 CO 0.01 -0.27 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.73 2wsc h LEU 145 N -0.61 0.00 -7.65 2.25 3.38 -1.14 -3.41 115.31 108.13 2wsc h LEU 145 Ca -0.06 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.32 2wsc h LEU 145 Cb 0.45 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.82 2wsc h LEU 145 CO 0.09 0.00 -0.79 0.20 0.09 0.00 0.00 178.44 178.03 2wsc s ASN 146 N -4.84 3.35 0.00 -0.43 0.02 0.35 -4.80 114.94 108.58 2wsc s ASN 146 Ca 0.10 -0.91 0.00 0.00 -1.02 0.00 0.00 52.86 51.02 2wsc s ASN 146 Cb 0.11 -1.08 0.00 0.00 0.02 0.00 0.00 41.25 40.30 2wsc s ASN 146 CO 0.62 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 178.15 2wsc n GLY 147 N 4.76 -1.75 7.00 0.66 0.00 -1.26 -4.31 105.19 110.29 2wsc n GLY 147 Ca -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2wsc n GLY 147 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wsc n GLU 148 N -2.00 0.00 -1.86 1.61 2.13 -1.26 -2.12 120.64 117.14 2wsc n GLU 148 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2wsc n GLU 148 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2wsc n GLU 148 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wsc s LEU 149 N 0.00 2.96 -0.02 4.31 0.20 -1.26 -4.68 118.68 120.19 2wsc s LEU 149 Ca 0.00 -0.67 0.06 0.00 0.69 0.00 0.00 54.13 54.22 2wsc s LEU 149 Cb 0.00 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 43.17 2wsc s LEU 149 CO 0.00 -3.39 -0.21 0.54 -0.29 0.00 0.00 176.35 173.00 2wsc s VAL 150 N 12.50 2.51 0.17 1.68 0.11 -0.90 -4.42 120.40 132.05 2wsc s VAL 150 Ca 0.78 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 2wsc s VAL 150 Cb -0.07 -1.95 0.18 0.00 -1.53 0.00 0.00 36.38 33.01 2wsc s VAL 150 CO 0.06 0.54 0.76 -0.67 -3.33 0.00 0.00 175.10 172.46 2wsc n ASP 151 N 2.23 0.10 0.00 3.54 4.64 -1.26 0.27 116.55 126.06 2wsc n ASP 151 Ca -0.16 0.81 0.00 0.00 -1.38 0.00 0.00 54.79 54.06 2wsc n ASP 151 Cb 0.52 -0.36 0.00 0.00 -1.04 0.00 0.00 41.12 40.23 2wsc n ASP 151 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2wsc n ASN 152 N -4.24 0.00 0.13 1.67 5.03 -1.26 0.17 115.26 116.75 2wsc n ASN 152 Ca 0.16 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.72 2wsc n ASN 152 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 2wsc n ASN 152 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2wsc n ASN 153 N -0.26 0.00 0.00 6.41 4.05 0.14 -5.20 115.26 120.40 2wsc n ASN 153 Ca 0.00 0.20 0.03 0.00 0.45 0.00 0.00 54.58 55.25 2wsc n ASN 153 Cb 0.00 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.16 2wsc n ASN 153 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54