#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf n ILE 2 N 0.00 0.00 -0.09 0.53 5.41 -1.26 -4.89 119.36 119.06 2wsf n ILE 2 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2wsf n ILE 2 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2wsf n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wsf h ALA 3 N -2.00 0.39 -3.00 -1.39 0.00 -2.00 -3.41 119.26 107.85 2wsf h ALA 3 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wsf h ALA 3 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wsf h ALA 3 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2wsf n GLY 4 N -1.18 -1.05 0.00 0.00 0.00 -1.26 -5.08 105.19 96.62 2wsf n GLY 4 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wsf n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 5 N 0.00 0.00 -4.91 0.99 7.94 0.37 -4.71 117.00 116.68 2wsf n LEU 5 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 2wsf n LEU 5 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2wsf n LEU 5 CO 0.00 0.00 0.35 0.42 -1.11 0.00 0.00 177.39 177.05 2wsf s THR 6 N 1.98 4.96 0.00 1.96 -4.23 -1.20 -1.05 115.64 118.06 2wsf s THR 6 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2wsf s THR 6 Cb 0.00 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2wsf s THR 6 CO 0.00 -0.68 0.00 -2.65 -0.54 0.00 0.00 174.62 170.75 2wsf n PRO 7 N -1.88 0.00 -0.06 3.99 -0.02 -1.22 -4.58 135.00 131.24 2wsf n PRO 7 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.42 2wsf n PRO 7 Cb 0.55 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.92 2wsf n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsf h LYS 9 N 0.00 0.00 -1.64 0.00 5.09 -1.89 -3.38 116.57 114.75 2wsf h LYS 9 Ca -0.32 0.00 0.05 0.00 0.09 0.00 0.00 60.65 60.47 2wsf h LYS 9 Cb 1.68 0.00 -0.26 0.00 0.10 0.00 0.00 32.23 33.76 2wsf h LYS 9 CO 0.02 0.00 0.42 -2.00 -2.09 0.00 0.00 179.45 175.80 2wsf s GLU 10 N -4.61 0.53 -0.27 0.07 -6.30 -1.26 -5.10 118.70 101.75 2wsf s GLU 10 Ca -0.04 0.64 0.05 0.00 -2.50 0.00 0.00 54.97 53.12 2wsf s GLU 10 Cb 0.16 0.25 0.18 0.00 0.00 0.00 0.00 34.13 34.72 2wsf s GLU 10 CO 0.56 -0.07 1.09 -1.13 0.02 0.00 0.00 175.26 175.73 2wsf n SER 11 N 2.33 -1.12 0.00 -1.70 3.41 -1.26 -4.33 113.62 110.95 2wsf n SER 11 Ca -0.13 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 2wsf n SER 11 Cb 0.56 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 2wsf n SER 11 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wsf n LYS 12 N -0.61 0.00 0.02 4.33 2.85 -1.26 0.33 118.16 123.82 2wsf n LYS 12 Ca -0.15 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.01 2wsf n LYS 12 Cb 0.70 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.04 2wsf n LYS 12 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 2wsf h GLN 13 N 0.00 -0.14 -0.84 -1.58 -0.00 -1.93 0.43 115.11 111.06 2wsf h GLN 13 Ca 0.00 0.01 0.21 0.00 -0.00 0.00 0.00 58.65 58.87 2wsf h GLN 13 Cb 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 27.48 27.38 2wsf h GLN 13 CO 0.00 -0.09 0.24 0.35 0.00 0.00 0.00 178.83 179.33 2wsf h PHE 14 N -0.15 0.38 0.31 3.99 3.04 -0.31 -2.66 116.94 121.55 2wsf h PHE 14 Ca 0.06 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2wsf h PHE 14 Cb 0.24 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 2wsf h PHE 14 CO -0.20 -0.14 -0.33 0.00 -2.02 0.00 0.00 178.31 175.62 2wsf h ALA 15 N 1.71 -0.69 -1.15 2.41 0.00 -0.73 -1.78 119.26 119.03 2wsf h ALA 15 Ca 0.51 -0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.64 2wsf h ALA 15 Cb 0.96 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2wsf h ALA 15 CO -0.58 -0.92 0.81 0.87 0.00 0.00 0.00 179.25 179.42 2wsf h LYS 16 N -0.67 0.10 0.02 0.00 1.57 -1.11 -0.90 116.57 115.58 2wsf h LYS 16 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wsf h LYS 16 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2wsf h LYS 16 CO -0.07 0.06 -0.01 0.00 -0.57 0.00 0.00 179.45 178.86 2wsf h ARG 17 N 0.10 -0.03 -1.03 3.15 -0.00 -1.09 -1.91 114.38 113.56 2wsf h ARG 17 Ca 0.58 0.00 0.41 0.00 -0.50 0.00 0.00 59.98 60.48 2wsf h ARG 17 Cb 2.08 0.01 -0.17 0.00 0.00 0.00 0.00 29.97 31.89 2wsf h ARG 17 CO -0.09 0.39 0.58 0.39 0.00 0.00 0.00 179.97 181.25 2wsf n GLU 18 N -4.90 -0.05 -0.04 0.04 -0.58 -0.36 -3.89 120.64 110.87 2wsf n GLU 18 Ca -0.08 1.30 -0.04 0.00 -0.42 0.00 0.00 57.16 57.92 2wsf n GLU 18 Cb 0.23 -2.38 -0.01 0.00 -0.57 0.00 0.00 31.44 28.70 2wsf n GLU 18 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wsf n LYS 19 N -5.07 0.24 -4.00 3.49 5.02 -1.10 -4.16 118.16 112.58 2wsf n LYS 19 Ca 0.37 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 56.39 2wsf n LYS 19 Cb 1.29 -0.88 -0.07 0.00 -0.02 0.00 0.00 35.03 35.35 2wsf n LYS 19 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wsf s GLN 20 N -1.92 3.32 1.59 1.97 -0.44 -0.74 -1.17 119.66 122.27 2wsf s GLN 20 Ca -0.13 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.52 2wsf s GLN 20 Cb 0.02 -3.08 0.00 0.00 -1.64 0.00 0.00 33.01 28.30 2wsf s GLN 20 CO 0.19 0.75 0.00 0.00 0.50 0.00 0.00 175.29 176.73 2wsf n ALA 21 N 1.94 0.00 -0.00 1.58 0.00 -1.26 -4.31 120.51 118.45 2wsf n ALA 21 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wsf n ALA 21 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wsf n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wsf n LEU 22 N 0.00 -0.00 0.00 0.00 4.32 -1.26 -1.37 117.00 118.69 2wsf n LEU 22 Ca 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 56.01 56.01 2wsf n LEU 22 Cb 0.00 -0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.84 2wsf n LEU 22 CO 0.00 -0.01 0.24 0.29 -1.22 0.00 0.00 177.39 176.69 2wsf n LYS 23 N -2.59 0.38 0.00 3.23 4.76 -0.32 0.49 118.16 124.11 2wsf n LYS 23 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 2wsf n LYS 23 Cb 0.00 -1.07 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 2wsf n LYS 23 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wsf n LYS 24 N -0.57 3.72 -0.02 1.97 4.01 -0.47 -0.36 118.16 126.44 2wsf n LYS 24 Ca 0.01 -0.07 0.02 0.00 -0.51 0.00 0.00 58.31 57.77 2wsf n LYS 24 Cb 0.01 -0.95 0.04 0.00 -0.51 0.00 0.00 35.03 33.61 2wsf n LYS 24 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wsf n LEU 25 N -1.12 0.02 0.00 -0.35 4.32 1.82 -3.38 117.00 118.31 2wsf n LEU 25 Ca 0.02 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 2wsf n LEU 25 Cb 0.15 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2wsf n LEU 25 CO 0.18 -0.11 0.00 1.67 -1.22 0.00 0.00 177.39 177.91 2wsf n GLN 26 N -2.99 0.00 -0.48 3.23 0.00 0.52 -4.55 117.38 113.11 2wsf n GLN 26 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 2wsf n GLN 26 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.33 2wsf n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wsf n ALA 27 N -3.00 0.00 -3.27 1.69 0.00 -1.22 -4.66 120.51 110.05 2wsf n ALA 27 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2wsf n ALA 27 Cb 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 2wsf n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wsf n SER 28 N 0.00 0.66 0.00 0.00 7.64 -1.26 -5.01 113.62 115.64 2wsf n SER 28 Ca 0.00 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2wsf n SER 28 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2wsf n SER 28 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wsf n LEU 29 N 1.55 0.00 0.00 -3.43 7.94 -1.26 -4.04 117.00 117.76 2wsf n LEU 29 Ca 0.24 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2wsf n LEU 29 Cb 0.50 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2wsf n LEU 29 CO 0.20 -0.09 0.00 2.29 -1.11 0.00 0.00 177.39 178.68 2wsf n LYS 30 N -1.67 2.37 0.00 1.96 2.85 -1.26 -5.13 118.16 117.28 2wsf n LYS 30 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wsf n LYS 30 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2wsf n LYS 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wsf n LEU 31 N 0.00 0.00 -4.63 -5.58 4.77 -1.26 -5.07 117.00 105.24 2wsf n LEU 31 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2wsf n LEU 31 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wsf n LEU 31 CO 0.00 0.00 1.61 -0.72 -1.33 0.00 0.00 177.39 176.95 2wsf s TYR 32 N 0.00 1.53 -0.33 -1.77 -0.85 -1.26 -4.94 117.35 109.73 2wsf s TYR 32 Ca 0.00 0.28 0.14 0.00 -0.52 0.00 0.00 57.07 56.97 2wsf s TYR 32 Cb 0.00 -4.04 0.42 0.00 0.38 0.00 0.00 41.96 38.72 2wsf s TYR 32 CO 0.00 -4.05 1.49 0.00 -1.52 0.00 0.00 175.55 171.47 2wsf n ALA 33 N 9.48 2.87 0.00 9.51 0.00 -1.26 -4.83 120.51 136.29 2wsf n ALA 33 Ca 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2wsf n ALA 33 Cb 0.44 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2wsf n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wsf n ASP 34 N -1.42 0.00 0.00 0.00 4.64 -1.26 -2.93 116.55 115.58 2wsf n ASP 34 Ca -0.15 0.22 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 2wsf n ASP 34 Cb 0.87 -0.22 0.00 0.00 -1.04 0.00 0.00 41.12 40.73 2wsf n ASP 34 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2wsf n ASP 35 N -1.20 0.00 -4.75 1.67 5.68 -1.26 -5.15 116.55 111.54 2wsf n ASP 35 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 2wsf n ASP 35 Cb 0.24 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.27 2wsf n ASP 35 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2wsf s SER 36 N 0.00 4.94 -0.38 -1.12 0.01 -1.15 -4.99 113.70 111.01 2wsf s SER 36 Ca 0.00 2.37 0.06 0.00 1.31 0.00 0.00 55.95 59.68 2wsf s SER 36 Cb 0.00 -2.59 0.57 0.00 0.21 0.00 0.00 66.02 64.20 2wsf s SER 36 CO 0.00 -1.76 1.68 0.00 0.41 0.00 0.00 173.24 173.57 2wsf n ALA 37 N -1.91 5.03 0.00 1.44 0.00 -1.26 -4.80 120.51 119.01 2wsf n ALA 37 Ca 0.13 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.46 2wsf n ALA 37 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2wsf n ALA 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wsf n PRO 38 N -1.10 0.00 -1.64 0.00 -0.04 -1.26 -5.06 135.00 125.89 2wsf n PRO 38 Ca 0.47 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.71 2wsf n PRO 38 Cb 1.26 -0.03 -0.06 0.00 -0.04 0.00 0.00 33.50 34.64 2wsf n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wsf s ALA 39 N -2.00 1.08 -0.48 0.55 0.00 -1.26 -4.87 121.76 114.79 2wsf s ALA 39 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2wsf s ALA 39 Cb 0.00 -4.51 0.44 0.00 0.00 0.00 0.00 23.12 19.05 2wsf s ALA 39 CO 0.00 -5.37 1.92 -0.11 0.00 0.00 0.00 175.76 172.21 2wsf n LEU 40 N 17.27 6.81 0.00 0.00 7.94 -1.26 -4.27 117.00 143.49 2wsf n LEU 40 Ca 0.42 -3.67 -0.00 0.00 -1.11 0.00 0.00 56.01 51.66 2wsf n LEU 40 Cb 0.47 -0.92 -0.00 0.00 0.53 0.00 0.00 43.42 43.50 2wsf n LEU 40 CO 0.60 1.22 0.26 0.00 -1.11 0.00 0.00 177.39 178.35 2wsf h ALA 41 N 1.57 -0.52 0.00 1.96 0.00 -1.89 -3.32 119.26 117.06 2wsf h ALA 41 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2wsf h ALA 41 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2wsf h ALA 41 CO 1.15 -0.52 0.00 0.44 0.00 0.00 0.00 179.25 180.33 2wsf n ILE 42 N -2.00 0.00 -3.93 0.00 -5.35 -1.26 -3.62 119.36 103.20 2wsf n ILE 42 Ca -0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 2wsf n ILE 42 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 2wsf n ILE 42 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wsf s LYS 43 N 0.00 3.79 1.14 6.28 -0.14 -1.25 -4.85 119.74 124.71 2wsf s LYS 43 Ca 0.00 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2wsf s LYS 43 Cb 0.00 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2wsf s LYS 43 CO 0.00 0.04 0.00 0.00 -0.76 0.00 0.00 175.35 174.63 2wsf n ALA 44 N 4.24 0.00 0.00 5.17 0.00 -1.24 -4.68 120.51 124.00 2wsf n ALA 44 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wsf n ALA 44 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wsf n ALA 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wsf n THR 45 N -0.33 0.00 0.00 0.00 -1.04 -1.26 -4.06 114.28 107.60 2wsf n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wsf n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wsf n THR 45 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2wsf n MET 46 N 0.00 0.00 -0.10 -2.82 -0.00 -1.26 -3.79 117.12 109.16 2wsf n MET 46 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.70 57.77 2wsf n MET 46 Cb 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 33.22 33.32 2wsf n MET 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wsf n GLU 47 N 0.00 -0.00 0.05 3.17 2.13 -1.26 0.36 120.64 125.08 2wsf n GLU 47 Ca 0.00 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.88 2wsf n GLU 47 Cb 0.00 -0.35 -0.13 0.00 0.27 0.00 0.00 31.44 31.23 2wsf n GLU 47 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2wsf h LYS 48 N 0.00 0.06 0.00 5.31 5.09 -1.82 0.40 116.57 125.62 2wsf h LYS 48 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.77 2wsf h LYS 48 Cb 0.53 0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.90 2wsf h LYS 48 CO -0.00 0.93 -0.49 0.25 -2.09 0.00 0.00 179.45 178.05 2wsf n THR 49 N -3.31 0.03 -0.04 0.07 -2.24 1.11 -4.62 114.28 105.27 2wsf n THR 49 Ca -0.07 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2wsf n THR 49 Cb 0.99 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 2wsf n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wsf n LYS 50 N -1.55 0.29 0.31 -0.78 5.02 0.19 -4.43 118.16 117.21 2wsf n LYS 50 Ca 0.05 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 2wsf n LYS 50 Cb 0.34 -1.01 0.76 0.00 -0.02 0.00 0.00 35.03 35.11 2wsf n LYS 50 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wsf h LYS 51 N -0.53 0.00 -4.10 1.97 1.63 -0.40 -0.10 116.57 115.04 2wsf h LYS 51 Ca -0.15 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 2wsf h LYS 51 Cb 0.84 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2wsf h LYS 51 CO -0.09 0.00 0.45 0.54 -3.45 0.00 0.00 179.45 176.90 2wsf n ARG 52 N -2.75 0.00 0.00 1.90 3.00 -1.25 -4.79 116.66 112.76 2wsf n ARG 52 Ca -0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 57.85 57.60 2wsf n ARG 52 Cb 0.35 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.39 2wsf n ARG 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2wsf n PHE 53 N 3.73 -0.02 0.00 -1.55 3.72 -0.05 -4.67 117.46 118.61 2wsf n PHE 53 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2wsf n PHE 53 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2wsf n PHE 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wsf n ASP 54 N 0.00 0.00 -4.24 4.37 5.68 -1.26 -4.28 116.55 116.82 2wsf n ASP 54 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.05 2wsf n ASP 54 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2wsf n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wsf s ASN 55 N -1.28 2.32 0.00 -1.12 2.20 -1.26 -4.94 114.94 110.86 2wsf s ASN 55 Ca 0.00 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.35 2wsf s ASN 55 Cb 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 41.25 39.09 2wsf s ASN 55 CO 0.00 0.09 0.82 -1.22 -2.94 0.00 0.00 177.10 173.85 2wsf n TYR 56 N 1.58 0.00 0.00 1.54 4.02 -1.26 -4.49 117.16 118.55 2wsf n TYR 56 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2wsf n TYR 56 Cb 0.54 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2wsf n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wsf n GLY 57 N 0.00 1.24 0.00 2.72 0.00 -1.26 -4.88 105.19 103.00 2wsf n GLY 57 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2wsf n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wsf n LYS 58 N 0.00 0.00 -0.10 1.61 5.02 -1.26 -5.07 118.16 118.37 2wsf n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wsf n LYS 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wsf n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wsf n TYR 59 N 0.00 0.00 0.00 2.13 0.53 -1.26 -4.45 117.16 114.11 2wsf n TYR 59 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2wsf n TYR 59 Cb 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 39.34 37.60 2wsf n TYR 59 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wsf n GLY 60 N 0.13 0.94 1.83 2.72 0.00 -1.26 -4.92 105.19 104.63 2wsf n GLY 60 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2wsf n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wsf n LEU 61 N 0.00 -4.91 -0.03 0.99 4.32 -1.26 -3.56 117.00 112.54 2wsf n LEU 61 Ca 0.00 1.81 -0.12 0.00 -0.02 0.00 0.00 56.01 57.68 2wsf n LEU 61 Cb 0.00 -2.42 -0.08 0.00 -1.62 0.00 0.00 43.42 39.31 2wsf n LEU 61 CO 0.00 -1.81 0.68 -0.07 -1.22 0.00 0.00 177.39 174.98 2wsf h LEU 62 N 2.69 0.19 -1.63 2.23 -0.00 -1.82 -3.22 115.31 113.75 2wsf h LEU 62 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2wsf h LEU 62 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2wsf h LEU 62 CO 0.00 0.54 -0.91 0.00 -0.00 0.00 0.00 178.44 178.07 2wsf n GLY 64 N 1.76 1.32 3.86 0.00 0.00 -0.71 -0.48 105.19 110.95 2wsf n GLY 64 Ca 0.00 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 2wsf n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wsf s SER 65 N -1.00 6.72 0.00 1.61 1.04 -1.26 -2.67 113.70 118.13 2wsf s SER 65 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2wsf s SER 65 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2wsf s SER 65 CO 0.00 0.05 0.00 -0.67 0.98 0.00 0.00 173.24 173.60 2wsf n ASP 66 N 0.48 0.00 0.00 7.02 2.03 -1.26 -4.48 116.55 120.34 2wsf n ASP 66 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2wsf n ASP 66 Cb 0.52 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2wsf n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wsf n GLY 67 N -1.94 0.55 3.74 0.27 0.00 -1.09 -4.29 105.19 102.43 2wsf n GLY 67 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wsf n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wsf s LEU 68 N 0.00 4.37 0.08 0.99 2.01 -1.26 -4.47 118.68 120.40 2wsf s LEU 68 Ca 0.00 2.75 -0.28 0.00 0.01 0.00 0.00 54.13 56.61 2wsf s LEU 68 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 46.19 42.53 2wsf s LEU 68 CO 0.00 -0.81 0.88 -2.16 1.01 0.00 0.00 176.35 175.27 2wsf s PRO 69 N 0.09 4.61 0.11 1.29 0.05 -1.26 -1.73 135.00 138.16 2wsf s PRO 69 Ca 0.64 1.29 0.04 0.00 0.05 0.00 0.00 61.00 63.02 2wsf s PRO 69 Cb -0.45 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 30.69 2wsf s PRO 69 CO 0.41 0.24 0.10 -1.01 0.05 0.00 0.00 177.00 176.79 2wsf s HIS 70 N -0.03 3.18 -0.30 0.56 3.76 -1.26 -4.72 115.29 116.48 2wsf s HIS 70 Ca 0.43 0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 55.31 2wsf s HIS 70 Cb -0.22 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.89 2wsf s HIS 70 CO 0.27 0.52 0.11 -0.48 -0.85 0.00 0.00 174.74 174.31 2wsf s LEU 71 N -2.65 3.97 0.00 0.89 2.34 -1.26 -3.60 118.68 118.38 2wsf s LEU 71 Ca 0.30 -0.66 0.00 0.00 0.06 0.00 0.00 54.13 53.83 2wsf s LEU 71 Cb -0.11 -1.93 0.00 0.00 -0.56 0.00 0.00 46.19 43.59 2wsf s LEU 71 CO 0.23 -0.20 0.00 -0.38 -1.06 0.00 0.00 176.35 174.93 2wsf n ILE 72 N 4.91 0.00 -3.03 1.48 -0.00 -1.26 -5.06 119.36 116.40 2wsf n ILE 72 Ca -0.14 0.43 -0.12 0.00 -0.00 0.00 0.00 62.75 62.91 2wsf n ILE 72 Cb 0.48 -1.31 0.01 0.00 -0.00 0.00 0.00 39.64 38.82 2wsf n ILE 72 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 2wsf n VAL 73 N -1.91 -8.10 -0.65 1.39 3.14 -1.26 -4.97 118.33 105.96 2wsf n VAL 73 Ca 0.00 0.88 0.00 0.00 -2.96 0.00 0.00 64.34 62.26 2wsf n VAL 73 Cb 0.00 -5.59 0.00 0.00 -1.06 0.00 0.00 33.84 27.19 2wsf n VAL 73 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2wsf n SER 74 N 0.25 0.47 -2.19 6.55 7.64 -1.23 -5.03 113.62 120.09 2wsf n SER 74 Ca 0.02 -1.13 -0.00 0.00 1.01 0.00 0.00 58.87 58.77 2wsf n SER 74 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2wsf n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsf n GLY 75 N -0.06 -0.73 0.00 0.23 0.00 -1.05 -5.06 105.19 98.52 2wsf n GLY 75 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wsf n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wsf n ASP 76 N -1.30 0.00 0.00 1.61 5.75 -1.23 -5.01 116.55 116.37 2wsf n ASP 76 Ca 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2wsf n ASP 76 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2wsf n ASP 76 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2wsf n GLN 77 N 0.00 0.00 0.00 0.11 0.00 -1.26 -2.07 117.38 114.16 2wsf n GLN 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wsf n GLN 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2wsf n GLN 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wsf n ARG 78 N 0.00 0.35 -3.02 3.69 5.12 -1.26 -5.10 116.66 116.44 2wsf n ARG 78 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 2wsf n ARG 78 Cb 0.00 -0.22 -0.05 0.00 -1.16 0.00 0.00 32.46 31.03 2wsf n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2wsf s HIS 79 N -0.87 2.90 0.00 -1.55 0.09 -0.88 -4.68 115.29 110.30 2wsf s HIS 79 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 55.06 54.39 2wsf s HIS 79 Cb 0.00 -3.99 0.00 0.00 -0.00 0.00 0.00 32.58 28.59 2wsf s HIS 79 CO 0.00 -1.34 0.00 0.91 -0.00 0.00 0.00 174.74 174.31 2wsf n TRP 80 N 6.79 0.00 -1.35 1.40 7.02 -1.26 -2.53 117.44 127.51 2wsf n TRP 80 Ca -0.06 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.13 2wsf n TRP 80 Cb 0.44 0.05 0.03 0.00 -2.42 0.00 0.00 31.31 29.41 2wsf n TRP 80 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wsf n GLY 81 N 2.72 4.97 0.33 6.99 0.00 -1.26 -3.53 105.19 115.41 2wsf n GLY 81 Ca 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.16 2wsf n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wsf n GLU 82 N -0.09 2.75 0.00 1.61 1.02 -1.26 -4.43 120.64 120.24 2wsf n GLU 82 Ca 0.49 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 2wsf n GLU 82 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2wsf n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wsf n PHE 83 N -0.24 -1.92 0.04 -0.32 7.35 -1.25 -4.90 117.46 116.22 2wsf n PHE 83 Ca 0.08 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.74 2wsf n PHE 83 Cb 0.42 0.38 -0.01 0.00 0.35 0.00 0.00 39.48 40.62 2wsf n PHE 83 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2wsf h ILE 84 N 0.00 0.00 -0.79 -2.13 1.08 -1.87 1.79 117.51 115.60 2wsf h ILE 84 Ca 0.00 -0.56 0.17 0.00 -0.39 0.00 0.00 64.86 64.07 2wsf h ILE 84 Cb 0.00 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.60 2wsf h ILE 84 CO 0.00 0.00 -0.13 0.74 -0.69 0.00 0.00 178.15 178.07 2wsf h THR 85 N -0.74 0.24 -0.46 -0.27 2.02 -1.82 1.65 112.91 113.53 2wsf h THR 85 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2wsf h THR 85 Cb 0.14 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2wsf h THR 85 CO 0.03 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.11 2wsf n PRO 86 N -5.47 3.07 -0.09 6.66 -0.04 -1.25 -3.77 135.00 134.10 2wsf n PRO 86 Ca 0.12 -2.06 -0.14 0.00 -0.04 0.00 0.00 63.50 61.38 2wsf n PRO 86 Cb 0.44 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 2wsf n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wsf n GLY 87 N 0.83 -0.48 0.36 0.55 0.00 0.61 -3.55 105.19 103.51 2wsf n GLY 87 Ca 0.19 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2wsf n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wsf h ILE 88 N -0.93 0.99 -0.34 -0.61 2.04 -0.44 -0.23 117.51 117.98 2wsf h ILE 88 Ca -0.19 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.44 2wsf h ILE 88 Cb 1.12 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2wsf h ILE 88 CO -0.11 0.16 -0.11 0.25 0.00 0.00 0.00 178.15 178.33 2wsf h LEU 89 N 0.87 -0.39 -0.71 1.44 5.85 -1.72 0.72 115.31 121.37 2wsf h LEU 89 Ca 0.39 0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.23 2wsf h LEU 89 Cb 0.36 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2wsf h LEU 89 CO -0.16 -0.14 0.47 0.15 -0.34 0.00 0.00 178.44 178.42 2wsf h PHE 90 N -0.04 0.88 0.76 1.25 3.57 -1.15 -2.07 116.94 120.14 2wsf h PHE 90 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2wsf h PHE 90 Cb 0.29 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 38.74 2wsf h PHE 90 CO -0.34 0.55 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.84 2wsf h LEU 91 N 0.95 -0.92 -0.71 0.59 -0.00 0.04 -2.42 115.31 112.82 2wsf h LEU 91 Ca 0.26 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.34 2wsf h LEU 91 Cb -0.09 0.25 -0.12 0.00 -0.00 0.00 0.00 40.66 40.70 2wsf h LEU 91 CO -0.06 -0.64 0.06 0.22 -0.00 0.00 0.00 178.44 178.02 2wsf h TYR 92 N -1.04 0.05 0.75 1.13 3.20 0.51 -2.82 116.97 118.75 2wsf h TYR 92 Ca -0.10 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 2wsf h TYR 92 Cb 0.81 0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.17 2wsf h TYR 92 CO 0.02 -0.17 -0.36 0.82 -1.64 0.00 0.00 178.16 176.83 2wsf h ILE 93 N 0.15 0.00 -3.52 1.81 5.03 -1.40 -3.11 117.51 116.47 2wsf h ILE 93 Ca 0.39 -0.14 -0.46 0.00 -0.12 0.00 0.00 64.86 64.53 2wsf h ILE 93 Cb 0.67 0.00 0.21 0.00 -3.03 0.00 0.00 36.82 34.67 2wsf h ILE 93 CO -0.58 0.00 0.06 0.00 -0.68 0.00 0.00 178.15 176.95 2wsf s ALA 94 N -5.14 -0.02 0.00 1.87 0.00 -0.91 -2.19 121.76 115.37 2wsf s ALA 94 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2wsf s ALA 94 Cb 0.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2wsf s ALA 94 CO 0.44 -3.63 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2wsf n GLY 95 N 0.78 1.40 1.14 0.00 0.00 -1.25 -4.24 105.19 103.01 2wsf n GLY 95 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2wsf n GLY 95 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2wsf n TRP 96 N 0.00 0.71 -0.03 1.61 4.27 -0.97 -0.20 117.44 122.83 2wsf n TRP 96 Ca 0.00 -0.35 -0.21 0.00 -3.89 0.00 0.00 57.50 53.04 2wsf n TRP 96 Cb 0.00 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 2wsf n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 2wsf n ILE 97 N 1.35 1.70 0.41 -1.67 2.08 -0.93 -4.45 119.36 117.84 2wsf n ILE 97 Ca 0.21 -0.51 0.09 0.00 0.56 0.00 0.00 62.75 63.09 2wsf n ILE 97 Cb 0.55 -1.77 -0.13 0.00 -0.75 0.00 0.00 39.64 37.54 2wsf n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsf n GLY 98 N 1.88 -0.82 0.32 7.39 0.00 -1.25 -1.88 105.19 110.84 2wsf n GLY 98 Ca -0.34 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.20 2wsf n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2wsf h TRP 99 N 0.00 0.73 0.00 1.61 -0.00 -0.84 0.62 115.95 118.08 2wsf h TRP 99 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 2wsf h TRP 99 Cb 0.67 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.59 2wsf h TRP 99 CO 0.00 0.49 -0.88 -0.39 -0.00 0.00 0.00 178.44 177.66 2wsf h VAL 100 N 0.77 0.04 0.49 2.65 -1.51 -1.78 -3.24 116.25 113.67 2wsf h VAL 100 Ca 0.20 -1.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 2wsf h VAL 100 Cb -0.02 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 2wsf h VAL 100 CO -0.04 0.02 -0.43 1.23 -1.23 0.00 0.00 177.57 177.13 2wsf h GLY 101 N 3.98 -1.07 -3.18 5.19 0.00 -0.57 -0.38 103.07 107.04 2wsf h GLY 101 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2wsf h GLY 101 CO 0.00 -0.35 0.00 -2.13 0.00 0.00 0.00 176.54 174.06 2wsf n ARG 102 N -5.53 0.54 0.09 4.80 0.63 0.21 -3.90 116.66 113.51 2wsf n ARG 102 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2wsf n ARG 102 Cb 0.42 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.10 2wsf n ARG 102 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2wsf n SER 103 N 1.54 -0.74 -2.64 6.15 3.41 -0.65 -4.39 113.62 116.29 2wsf n SER 103 Ca 0.00 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 2wsf n SER 103 Cb 0.27 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 2wsf n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wsf n TYR 104 N -2.97 0.57 0.06 7.33 -0.00 -0.24 -1.95 117.16 119.95 2wsf n TYR 104 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 57.90 56.62 2wsf n TYR 104 Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 39.34 38.04 2wsf n TYR 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2wsf n LEU 105 N 3.40 -0.90 0.00 2.98 4.77 -1.25 -4.90 117.00 121.10 2wsf n LEU 105 Ca 0.31 0.21 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 2wsf n LEU 105 Cb 0.33 1.14 0.55 0.00 -2.33 0.00 0.00 43.42 43.11 2wsf n LEU 105 CO 0.41 -0.35 0.77 -0.38 -1.33 0.00 0.00 177.39 176.50 2wsf n ILE 106 N -2.75 0.00 0.70 -0.08 5.41 -0.82 -1.92 119.36 119.90 2wsf n ILE 106 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 2wsf n ILE 106 Cb 0.00 -0.55 0.28 0.00 -0.71 0.00 0.00 39.64 38.66 2wsf n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wsf n ALA 107 N -0.90 2.46 -3.38 -1.39 0.00 -0.93 -4.90 120.51 111.46 2wsf n ALA 107 Ca 0.14 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2wsf n ALA 107 Cb 0.06 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 2wsf n ALA 107 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wsf s ILE 108 N -1.56 -0.02 0.00 0.00 2.07 -0.81 -4.89 121.20 115.99 2wsf s ILE 108 Ca 0.35 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 2wsf s ILE 108 Cb 0.19 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.50 2wsf s ILE 108 CO 0.27 0.03 0.00 -2.11 -1.91 0.00 0.00 174.94 171.22 2wsf n ARG 109 N 3.58 0.00 -0.57 3.50 1.85 -1.26 -4.95 116.66 118.81 2wsf n ARG 109 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2wsf n ARG 109 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 2wsf n ARG 109 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wsf n ASP 110 N 0.00 0.12 0.00 2.89 9.92 -1.26 -5.00 116.55 123.23 2wsf n ASP 110 Ca 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 2wsf n ASP 110 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wsf n ASP 110 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wsf n GLU 111 N 0.00 0.00 -4.46 -1.24 0.00 -1.26 -4.44 120.64 109.25 2wsf n GLU 111 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 2wsf n GLU 111 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 2wsf n GLU 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wsf n LYS 112 N 0.00 0.61 -1.46 5.31 4.01 -1.26 -5.03 118.16 120.34 2wsf n LYS 112 Ca 0.00 -3.51 -0.44 0.00 -0.51 0.00 0.00 58.31 53.85 2wsf n LYS 112 Cb 0.00 1.74 -0.14 0.00 -0.51 0.00 0.00 35.03 36.13 2wsf n LYS 112 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2wsf n LYS 113 N -0.98 0.06 -2.89 1.97 3.00 -1.26 -4.86 118.16 113.21 2wsf n LYS 113 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.88 2wsf n LYS 113 Cb 0.62 -1.60 -0.01 0.00 0.00 0.00 0.00 35.03 34.04 2wsf n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wsf n PRO 114 N 8.34 4.28 -0.72 1.64 -0.04 -1.26 -4.89 135.00 142.35 2wsf n PRO 114 Ca 0.62 -4.71 -0.01 0.00 -0.04 0.00 0.00 63.50 59.37 2wsf n PRO 114 Cb 0.04 -2.38 0.20 0.00 -0.04 0.00 0.00 33.50 31.32 2wsf n PRO 114 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wsf n THR 115 N 0.25 2.43 0.00 0.52 -2.24 -1.26 -4.66 114.28 109.32 2wsf n THR 115 Ca 0.36 -2.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.28 2wsf n THR 115 Cb 0.33 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wsf n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wsf n GLN 116 N -1.11 0.00 0.00 -0.78 6.02 -1.26 -4.99 117.38 115.26 2wsf n GLN 116 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2wsf n GLN 116 Cb 0.92 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.18 2wsf n GLN 116 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wsf n LYS 117 N 0.00 0.00 -0.01 -1.09 4.76 -1.26 -2.38 118.16 118.18 2wsf n LYS 117 Ca 0.00 0.22 0.10 0.00 -2.87 0.00 0.00 58.31 55.77 2wsf n LYS 117 Cb 0.00 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.42 2wsf n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wsf n GLU 118 N -1.17 0.44 0.17 1.97 4.71 -1.26 -3.64 120.64 121.86 2wsf n GLU 118 Ca 0.00 -0.10 0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2wsf n GLU 118 Cb 0.13 -1.49 0.18 0.00 -1.01 0.00 0.00 31.44 29.25 2wsf n GLU 118 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2wsf h ILE 119 N 0.00 0.72 -1.81 -3.67 3.07 -1.90 -3.41 117.51 110.50 2wsf h ILE 119 Ca 0.00 -1.77 -0.48 0.00 1.55 0.00 0.00 64.86 64.16 2wsf h ILE 119 Cb 0.74 2.17 -0.02 0.00 -0.27 0.00 0.00 36.82 39.44 2wsf h ILE 119 CO 0.00 0.37 -0.41 0.27 -1.05 0.00 0.00 178.15 177.33 2wsf s ILE 120 N -3.22 3.66 -0.18 0.16 -5.25 -1.24 -5.14 121.20 109.99 2wsf s ILE 120 Ca 0.03 -1.24 0.00 0.00 -0.99 0.00 0.00 60.65 58.45 2wsf s ILE 120 Cb 0.08 -3.25 0.04 0.00 2.95 0.00 0.00 42.46 42.29 2wsf s ILE 120 CO 0.71 -0.16 -0.09 0.27 -1.79 0.00 0.00 174.94 173.87 2wsf s ILE 121 N -2.27 1.45 0.19 8.37 -4.36 -1.26 -4.84 121.20 118.48 2wsf s ILE 121 Ca 0.43 -0.82 -0.16 0.00 -0.26 0.00 0.00 60.65 59.84 2wsf s ILE 121 Cb -0.07 -1.53 0.15 0.00 1.25 0.00 0.00 42.46 42.26 2wsf s ILE 121 CO 0.28 0.21 1.64 -0.78 0.24 0.00 0.00 174.94 176.53 2wsf h ASP 122 N 8.03 -0.59 -3.26 4.36 1.82 -1.95 -3.29 116.42 121.55 2wsf h ASP 122 Ca -0.28 0.16 -0.56 0.00 -0.39 0.00 0.00 57.03 55.96 2wsf h ASP 122 Cb 1.11 0.36 -0.37 0.00 0.68 0.00 0.00 39.33 41.10 2wsf h ASP 122 CO 0.46 -0.20 -0.80 0.68 -1.61 0.00 0.00 179.24 177.76 2wsf s VAL 123 N -6.19 1.21 0.06 2.25 -7.23 -1.26 -5.06 120.40 104.18 2wsf s VAL 123 Ca -0.14 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 2wsf s VAL 123 Cb 0.16 -1.28 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 2wsf s VAL 123 CO 0.72 0.26 1.80 -2.16 -0.31 0.00 0.00 175.10 175.40 2wsf s PRO 124 N 1.61 4.16 0.00 4.82 0.04 -1.24 0.22 135.00 144.61 2wsf s PRO 124 Ca 0.03 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2wsf s PRO 124 Cb -0.14 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2wsf s PRO 124 CO -0.08 -0.84 0.00 1.28 0.04 0.00 0.00 177.00 177.39 2wsf n LEU 125 N 6.37 0.00 0.00 -3.56 4.77 -1.26 -2.08 117.00 121.24 2wsf n LEU 125 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wsf n LEU 125 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2wsf n LEU 125 CO 0.65 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.71 2wsf n ALA 126 N 0.15 0.00 0.00 -1.18 0.00 0.60 -4.81 120.51 115.27 2wsf n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wsf n SER 127 N 0.00 0.00 0.05 0.00 2.88 -0.88 -2.89 113.62 112.77 2wsf n SER 127 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wsf n SER 127 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wsf n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2wsf n SER 128 N 0.00 -0.91 -0.02 -3.46 3.41 -1.26 -4.81 113.62 106.57 2wsf n SER 128 Ca 0.00 0.23 0.15 0.00 -0.26 0.00 0.00 58.87 58.99 2wsf n SER 128 Cb 0.00 1.15 0.78 0.00 -0.26 0.00 0.00 64.21 65.88 2wsf n SER 128 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wsf n LEU 129 N -2.65 0.07 0.00 1.04 4.77 -1.14 -4.62 117.00 114.48 2wsf n LEU 129 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wsf n LEU 129 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2wsf n LEU 129 CO 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 2wsf n LEU 130 N -1.17 0.00 0.00 2.23 -0.00 -1.26 -2.36 117.00 114.44 2wsf n LEU 130 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.19 2wsf n LEU 130 Cb 0.22 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.70 2wsf n LEU 130 CO 0.22 0.00 0.49 0.49 -0.00 0.00 0.00 177.39 178.59 2wsf n PHE 131 N 0.00 0.00 -0.37 1.47 3.01 -1.26 -3.47 117.46 116.84 2wsf n PHE 131 Ca 0.00 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.80 2wsf n PHE 131 Cb 0.00 -0.39 0.52 0.00 -0.01 0.00 0.00 39.48 39.61 2wsf n PHE 131 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wsf n ARG 132 N -1.39 0.01 -0.02 -1.08 5.12 -1.00 0.31 116.66 118.61 2wsf n ARG 132 Ca 0.01 0.93 -0.13 0.00 -1.93 0.00 0.00 57.85 56.73 2wsf n ARG 132 Cb 0.02 -2.24 -0.10 0.00 -1.16 0.00 0.00 32.46 28.98 2wsf n ARG 132 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wsf h GLY 133 N 0.00 -0.04 1.79 -0.13 0.00 -1.80 0.39 103.07 103.29 2wsf h GLY 133 Ca 0.60 0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.79 2wsf h GLY 133 CO -0.01 -0.02 -0.65 -2.75 0.00 0.00 0.00 176.54 173.12 2wsf h PHE 134 N -0.75 0.27 0.00 5.60 3.57 -1.01 0.04 116.94 124.66 2wsf h PHE 134 Ca -0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2wsf h PHE 134 Cb 0.67 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2wsf h PHE 134 CO 0.16 0.79 0.00 0.45 -2.23 0.00 0.00 178.31 177.48 2wsf n SER 135 N -3.83 0.81 -4.32 0.41 2.88 0.15 -4.01 113.62 105.70 2wsf n SER 135 Ca -0.02 -1.62 -0.47 0.00 -1.33 0.00 0.00 58.87 55.43 2wsf n SER 135 Cb 0.65 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2wsf n SER 135 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2wsf s TRP 136 N -1.00 3.54 0.01 0.66 -0.00 0.13 -4.82 118.94 117.46 2wsf s TRP 136 Ca 0.00 -1.69 -0.19 0.00 -0.00 0.00 0.00 56.10 54.22 2wsf s TRP 136 Cb 0.00 -3.81 -0.06 0.00 -0.00 0.00 0.00 33.47 29.60 2wsf s TRP 136 CO 0.00 -1.01 0.55 -2.14 -0.00 0.00 0.00 176.95 174.35 2wsf s PRO 137 N 0.80 4.22 0.00 5.86 0.02 -1.26 -4.86 135.00 139.79 2wsf s PRO 137 Ca 0.12 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.79 2wsf s PRO 137 Cb -0.19 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2wsf s PRO 137 CO -0.04 0.48 0.00 0.28 -0.33 0.00 0.00 177.00 177.40 2wsf n VAL 138 N 2.36 0.00 0.00 3.83 0.31 -1.26 -4.87 118.33 118.70 2wsf n VAL 138 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2wsf n VAL 138 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2wsf n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsf n ALA 139 N 0.58 0.00 0.05 3.52 0.00 -1.26 -2.14 120.51 121.26 2wsf n ALA 139 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2wsf n ALA 139 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 2wsf n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsf h ALA 140 N -0.63 2.33 0.00 0.00 0.00 -1.93 0.66 119.26 119.69 2wsf h ALA 140 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wsf h ALA 140 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wsf h ALA 140 CO 0.00 -0.45 0.00 0.66 0.00 0.00 0.00 179.25 179.46 2wsf n TYR 141 N -4.43 0.00 0.07 0.00 0.53 -0.91 -2.30 117.16 110.12 2wsf n TYR 141 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.95 2wsf n TYR 141 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.77 2wsf n TYR 141 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wsf n ARG 142 N -0.84 0.00 0.26 -0.72 5.12 -0.21 -4.89 116.66 115.38 2wsf n ARG 142 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 2wsf n ARG 142 Cb 0.00 0.00 0.66 0.00 -1.16 0.00 0.00 32.46 31.96 2wsf n ARG 142 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2wsf h GLU 143 N 0.00 0.00 0.27 5.56 4.57 -1.07 0.78 114.58 124.70 2wsf h GLU 143 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2wsf h GLU 143 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wsf h GLU 143 CO 0.00 0.00 -0.13 1.25 -1.18 0.00 0.00 179.01 178.95 2wsf h LEU 144 N 0.00 -0.31 0.00 1.64 5.85 -1.60 -3.26 115.31 117.64 2wsf h LEU 144 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2wsf h LEU 144 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2wsf h LEU 144 CO 0.00 -0.15 -0.08 0.18 -0.34 0.00 0.00 178.44 178.05 2wsf n LEU 145 N -5.21 0.63 -3.82 2.25 4.77 -0.04 -4.44 117.00 111.14 2wsf n LEU 145 Ca -0.10 0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 56.10 2wsf n LEU 145 Cb 0.19 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 2wsf n LEU 145 CO 0.34 -0.12 -0.39 0.20 -1.33 0.00 0.00 177.39 176.09 2wsf s ASN 146 N -4.15 3.36 0.00 -1.43 0.02 0.25 -4.82 114.94 108.18 2wsf s ASN 146 Ca 0.11 -1.02 0.00 0.00 -1.02 0.00 0.00 52.86 50.93 2wsf s ASN 146 Cb 0.14 -0.85 0.00 0.00 0.02 0.00 0.00 41.25 40.55 2wsf s ASN 146 CO 0.60 -0.28 0.00 0.61 0.02 0.00 0.00 177.10 178.05 2wsf n GLY 147 N 4.88 -1.48 6.55 0.66 0.00 -1.26 -4.34 105.19 110.20 2wsf n GLY 147 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2wsf n GLY 147 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wsf n GLU 148 N -1.74 0.00 -2.09 1.61 2.13 -1.26 -2.13 120.64 117.15 2wsf n GLU 148 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 2wsf n GLU 148 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2wsf n GLU 148 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wsf s LEU 149 N 0.00 3.13 0.01 4.31 0.20 -1.26 -4.67 118.68 120.40 2wsf s LEU 149 Ca 0.00 -1.35 0.05 0.00 0.69 0.00 0.00 54.13 53.51 2wsf s LEU 149 Cb 0.00 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.15 2wsf s LEU 149 CO 0.00 -2.87 -0.11 0.54 -0.29 0.00 0.00 176.35 173.62 2wsf s VAL 150 N 10.34 3.29 0.31 1.68 0.11 -0.91 -4.40 120.40 130.83 2wsf s VAL 150 Ca 0.68 -0.92 0.23 0.00 -2.93 0.00 0.00 61.98 59.03 2wsf s VAL 150 Cb -0.03 -2.41 0.35 0.00 -1.53 0.00 0.00 36.38 32.76 2wsf s VAL 150 CO 0.08 0.39 1.08 -0.67 -3.33 0.00 0.00 175.10 172.65 2wsf n ASP 151 N 1.61 0.15 0.00 3.54 4.64 -1.26 0.69 116.55 125.91 2wsf n ASP 151 Ca -0.16 0.96 0.00 0.00 -1.38 0.00 0.00 54.79 54.21 2wsf n ASP 151 Cb 0.52 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 40.13 2wsf n ASP 151 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2wsf n ASN 152 N -4.07 0.00 0.00 1.67 5.03 -1.26 0.01 115.26 116.64 2wsf n ASN 152 Ca 0.28 0.68 0.00 0.00 0.87 0.00 0.00 54.58 56.41 2wsf n ASN 152 Cb 1.09 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.66 2wsf n ASN 152 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2wsf n ASN 153 N -1.63 0.00 0.00 6.41 4.05 0.22 -5.20 115.26 119.11 2wsf n ASN 153 Ca 0.00 0.16 0.10 0.00 0.45 0.00 0.00 54.58 55.29 2wsf n ASN 153 Cb 0.00 -0.16 0.59 0.00 1.23 0.00 0.00 39.78 41.44 2wsf n ASN 153 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54