#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq h LYS 3 N 0.00 0.67 -0.15 -0.67 1.57 -2.05 -1.84 116.57 114.10 2wwq h LYS 3 Ca 0.00 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 2wwq h LYS 3 Cb 0.00 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.17 2wwq h LYS 3 CO 0.00 0.44 -0.70 0.87 -0.57 0.00 0.00 179.45 179.50 2wwq h LYS 4 N 0.69 0.74 0.57 3.15 1.79 -2.05 -2.96 116.57 118.50 2wwq h LYS 4 Ca 0.59 -0.59 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2wwq h LYS 4 Cb 1.01 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2wwq h LYS 4 CO -0.39 1.20 -0.34 0.77 -1.08 0.00 0.00 179.45 179.62 2wwq h SER 5 N 0.45 -0.83 -0.94 0.86 0.02 -1.91 -2.59 113.55 108.61 2wwq h SER 5 Ca -0.04 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2wwq h SER 5 Cb 1.33 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 64.03 2wwq h SER 5 CO 0.14 -0.53 0.56 0.00 -1.14 0.00 0.00 176.83 175.87 2wwq h ALA 6 N -0.48 1.40 0.08 3.77 0.00 -1.44 -2.57 119.26 120.02 2wwq h ALA 6 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wwq h ALA 6 Cb 0.69 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2wwq h ALA 6 CO 0.08 0.15 -0.25 -0.09 0.00 0.00 0.00 179.25 179.14 2wwq h ARG 7 N 0.89 -0.42 0.24 0.00 2.43 -1.41 -2.50 114.38 113.60 2wwq h ARG 7 Ca 0.47 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2wwq h ARG 7 Cb 0.48 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2wwq h ARG 7 CO -0.27 -0.28 -0.42 0.82 -1.51 0.00 0.00 179.97 178.31 2wwq h ILE 8 N -0.44 0.00 -0.04 1.20 2.04 -1.07 -2.62 117.51 116.59 2wwq h ILE 8 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2wwq h ILE 8 Cb 0.48 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2wwq h ILE 8 CO -0.17 0.00 0.03 0.08 0.00 0.00 0.00 178.15 178.08 2wwq h ARG 9 N -0.69 0.06 0.00 2.37 0.11 -1.58 -1.04 114.38 113.60 2wwq h ARG 9 Ca -0.03 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2wwq h ARG 9 Cb 0.65 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2wwq h ARG 9 CO -0.15 0.04 0.00 0.54 0.10 0.00 0.00 179.97 180.50 2wwq n ARG 10 N -4.53 0.12 -0.00 0.08 1.74 -0.94 -3.53 116.66 109.59 2wwq n ARG 10 Ca -0.02 0.15 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 2wwq n ARG 10 Cb 0.09 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 2wwq n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wwq n ALA 11 N -1.40 2.51 0.96 7.54 0.00 -0.42 -3.88 120.51 125.82 2wwq n ALA 11 Ca 0.06 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2wwq n ALA 11 Cb 0.18 -0.26 0.41 0.00 0.00 0.00 0.00 19.45 19.79 2wwq n ALA 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wwq n THR 12 N -1.55 0.05 0.00 0.00 -1.04 -1.08 -2.62 114.28 108.05 2wwq n THR 12 Ca -0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wwq n THR 12 Cb 0.16 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 2wwq n THR 12 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2wwq n ARG 13 N -1.57 0.00 -0.22 -2.82 3.00 -1.26 -3.89 116.66 109.90 2wwq n ARG 13 Ca 0.06 0.39 0.02 0.00 -0.00 0.00 0.00 57.85 58.33 2wwq n ARG 13 Cb 0.35 -1.38 0.14 0.00 0.00 0.00 0.00 32.46 31.56 2wwq n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wwq h ALA 14 N -2.00 0.81 0.00 5.13 0.00 -1.83 -2.16 119.26 119.21 2wwq h ALA 14 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2wwq h ALA 14 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wwq h ALA 14 CO 0.00 -0.29 -0.11 0.54 0.00 0.00 0.00 179.25 179.39 2wwq n ARG 15 N -5.11 1.30 0.00 0.00 1.74 -1.08 -1.22 116.66 112.29 2wwq n ARG 15 Ca 0.11 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2wwq n ARG 15 Cb 0.36 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2wwq n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wwq n ARG 16 N 2.45 0.00 -0.10 5.56 3.00 -0.84 -4.79 116.66 121.94 2wwq n ARG 16 Ca 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.99 2wwq n ARG 16 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.03 2wwq n ARG 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2wwq h LYS 17 N 0.00 0.56 -0.50 -0.14 1.57 -1.15 -3.16 116.57 113.75 2wwq h LYS 17 Ca 0.00 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 2wwq h LYS 17 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2wwq h LYS 17 CO 0.00 0.74 0.01 -0.07 -0.57 0.00 0.00 179.45 179.55 2wwq h LEU 18 N 0.34 0.81 -0.50 2.94 3.38 -1.46 -3.32 115.31 117.49 2wwq h LEU 18 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wwq h LEU 18 Cb 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wwq h LEU 18 CO 0.02 0.87 0.29 1.56 0.09 0.00 0.00 178.44 181.27 2wwq h GLN 19 N 0.78 0.69 -0.72 1.13 1.08 -1.74 -1.87 115.11 114.45 2wwq h GLN 19 Ca 0.15 -0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.43 2wwq h GLN 19 Cb 0.46 -0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.65 2wwq h GLN 19 CO 0.02 0.53 0.19 0.93 -0.95 0.00 0.00 178.83 179.55 2wwq h GLU 20 N 0.67 0.29 -0.39 1.46 5.08 -1.66 -3.16 114.58 116.86 2wwq h GLU 20 Ca 0.18 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2wwq h GLU 20 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2wwq h GLU 20 CO -0.03 0.19 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.77 2wwq h LEU 21 N 0.29 0.94 -2.18 1.33 3.38 -1.54 -3.49 115.31 114.04 2wwq h LEU 21 Ca 0.40 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wwq h LEU 21 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wwq h LEU 21 CO -0.48 1.18 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2wwq n GLY 22 N 0.02 -2.08 3.32 0.83 0.00 -0.75 -5.10 105.19 101.43 2wwq n GLY 22 Ca -0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2wwq n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq s ALA 23 N 0.00 0.01 -0.23 4.61 0.00 -0.50 -5.01 121.76 120.64 2wwq s ALA 23 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 2wwq s ALA 23 Cb 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2wwq s ALA 23 CO 0.00 -0.63 0.54 0.99 0.00 0.00 0.00 175.76 176.67 2wwq s THR 24 N -3.96 5.07 0.23 0.00 2.01 -1.26 -3.65 115.64 114.08 2wwq s THR 24 Ca 0.16 0.98 0.10 0.00 0.31 0.00 0.00 61.69 63.23 2wwq s THR 24 Cb 0.04 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2wwq s THR 24 CO -0.01 0.12 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.83 2wwq s ARG 25 N 1.99 2.09 -0.52 4.92 3.00 -1.18 -2.64 118.95 126.60 2wwq s ARG 25 Ca 0.24 -1.41 -0.13 0.00 0.00 0.00 0.00 55.73 54.44 2wwq s ARG 25 Cb -0.16 -2.10 0.13 0.00 0.00 0.00 0.00 34.95 32.83 2wwq s ARG 25 CO 0.09 0.39 0.44 -1.17 0.00 0.00 0.00 175.30 175.05 2wwq s LEU 26 N -3.26 5.98 0.06 2.53 2.96 -0.62 -2.43 118.68 123.89 2wwq s LEU 26 Ca 0.28 -1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.04 2wwq s LEU 26 Cb -0.07 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 2wwq s LEU 26 CO 0.17 -0.76 0.75 -0.69 -1.32 0.00 0.00 176.35 174.50 2wwq s VAL 27 N 1.40 4.70 -0.09 1.68 1.01 -0.48 -0.72 120.40 127.90 2wwq s VAL 27 Ca 0.05 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.67 2wwq s VAL 27 Cb -0.27 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2wwq s VAL 27 CO 0.01 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 2wwq s VAL 28 N -0.21 1.57 -0.13 2.92 1.01 -1.18 -1.11 120.40 123.26 2wwq s VAL 28 Ca 0.38 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2wwq s VAL 28 Cb -0.21 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2wwq s VAL 28 CO 0.23 0.45 -0.17 -2.28 0.00 0.00 0.00 175.10 173.33 2wwq s HIS 29 N 0.65 2.74 0.25 5.22 5.04 -0.10 -4.64 115.29 124.45 2wwq s HIS 29 Ca -0.14 -0.94 0.07 0.00 -1.54 0.00 0.00 55.06 52.51 2wwq s HIS 29 Cb -0.16 -1.83 -0.04 0.00 0.04 0.00 0.00 32.58 30.59 2wwq s HIS 29 CO 0.04 -0.39 0.20 0.50 -2.34 0.00 0.00 174.74 172.74 2wwq s ARG 30 N 0.58 2.94 -0.17 2.88 3.52 -1.26 -2.52 118.95 124.92 2wwq s ARG 30 Ca -0.10 -1.05 -0.28 0.00 -0.13 0.00 0.00 55.73 54.18 2wwq s ARG 30 Cb -0.16 -2.57 0.08 0.00 -1.56 0.00 0.00 34.95 30.73 2wwq s ARG 30 CO 0.03 0.40 0.74 0.99 -0.81 0.00 0.00 175.30 176.66 2wwq s THR 31 N -2.13 0.00 0.35 4.11 2.01 -1.16 -4.94 115.64 113.88 2wwq s THR 31 Ca 0.33 0.00 0.17 0.00 0.31 0.00 0.00 61.69 62.49 2wwq s THR 31 Cb -0.08 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.57 2wwq s THR 31 CO 0.25 0.00 1.87 -0.65 -0.69 0.00 0.00 174.62 175.40 2wwq h PRO 32 N 3.92 0.00 0.00 4.92 0.11 -1.99 -3.24 132.00 135.72 2wwq h PRO 32 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wwq h PRO 32 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wwq h PRO 32 CO 0.22 0.31 -0.53 0.54 -0.21 0.00 0.00 178.00 178.32 2wwq n ARG 33 N -3.94 3.82 -4.41 1.05 5.12 -1.26 -4.87 116.66 112.18 2wwq n ARG 33 Ca -0.02 -0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.68 2wwq n ARG 33 Cb 0.38 -0.86 -0.09 0.00 -1.16 0.00 0.00 32.46 30.72 2wwq n ARG 33 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2wwq s HIS 34 N -1.76 1.72 -0.03 -1.55 3.76 -1.22 -2.89 115.29 113.32 2wwq s HIS 34 Ca 0.01 -1.23 -0.02 0.00 -0.15 0.00 0.00 55.06 53.68 2wwq s HIS 34 Cb 0.04 -1.04 0.02 0.00 1.11 0.00 0.00 32.58 32.71 2wwq s HIS 34 CO 0.23 -0.32 0.07 0.42 -0.85 0.00 0.00 174.74 174.30 2wwq s ILE 35 N -3.46 -0.03 0.13 0.60 1.01 -1.26 -3.00 121.20 115.19 2wwq s ILE 35 Ca 0.33 0.10 0.11 0.00 0.00 0.00 0.00 60.65 61.19 2wwq s ILE 35 Cb 0.06 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 2wwq s ILE 35 CO 0.16 0.04 -0.25 -0.31 0.00 0.00 0.00 174.94 174.58 2wwq s TYR 36 N 0.59 2.36 -0.30 3.97 2.02 -1.05 -2.24 117.35 122.71 2wwq s TYR 36 Ca -0.05 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 2wwq s TYR 36 Cb -0.07 -1.26 0.14 0.00 -0.40 0.00 0.00 41.96 40.37 2wwq s TYR 36 CO -0.02 0.36 0.73 0.00 -1.57 0.00 0.00 175.55 175.05 2wwq s ALA 37 N -1.13 -2.25 0.02 3.71 0.00 -0.56 -0.92 121.76 120.64 2wwq s ALA 37 Ca 0.15 2.23 0.01 0.00 0.00 0.00 0.00 51.96 54.35 2wwq s ALA 37 Cb -0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 2wwq s ALA 37 CO 0.07 -0.98 -0.04 -0.65 0.00 0.00 0.00 175.76 174.16 2wwq s GLN 38 N 2.79 0.34 -0.59 0.00 -0.21 -0.27 -1.83 119.66 119.90 2wwq s GLN 38 Ca -0.03 -0.43 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 2wwq s GLN 38 Cb -0.11 -0.16 0.14 0.00 1.00 0.00 0.00 33.01 33.88 2wwq s GLN 38 CO -0.19 0.03 0.55 0.08 -2.12 0.00 0.00 175.29 173.65 2wwq s VAL 39 N -0.81 5.25 0.47 1.09 1.01 -0.15 -1.39 120.40 125.87 2wwq s VAL 39 Ca -0.06 -1.63 -0.17 0.00 0.00 0.00 0.00 61.98 60.12 2wwq s VAL 39 Cb -0.06 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2wwq s VAL 39 CO -0.00 -0.91 0.93 0.27 0.00 0.00 0.00 175.10 175.39 2wwq s ILE 40 N 1.43 4.54 0.88 2.22 -4.36 -1.02 -2.04 121.20 122.86 2wwq s ILE 40 Ca 0.06 1.18 -0.15 0.00 -0.26 0.00 0.00 60.65 61.48 2wwq s ILE 40 Cb -0.27 -3.69 -0.02 0.00 1.25 0.00 0.00 42.46 39.73 2wwq s ILE 40 CO 0.01 -0.55 0.24 0.00 0.24 0.00 0.00 174.94 174.88 2wwq n ALA 41 N -1.26 -2.74 -0.30 2.27 0.00 -0.52 -3.09 120.51 114.87 2wwq n ALA 41 Ca 0.06 -0.49 0.29 0.00 0.00 0.00 0.00 53.44 53.30 2wwq n ALA 41 Cb 0.54 -1.70 0.53 0.00 0.00 0.00 0.00 19.45 18.82 2wwq n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wwq n PRO 42 N -0.67 -0.05 -0.00 0.00 -0.02 -1.24 -2.89 135.00 130.13 2wwq n PRO 42 Ca 0.06 1.21 0.02 0.00 -2.02 0.00 0.00 63.50 62.77 2wwq n PRO 42 Cb 0.53 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2wwq n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2wwq n ASN 43 N -4.94 4.07 -1.29 2.55 6.94 -1.26 -1.41 115.26 119.92 2wwq n ASN 43 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 2wwq n ASN 43 Cb 1.17 1.11 0.00 0.00 -2.36 0.00 0.00 39.78 39.70 2wwq n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wwq n GLY 44 N 2.34 -2.49 0.00 4.83 0.00 -1.14 -5.02 105.19 103.70 2wwq n GLY 44 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2wwq n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wwq n SER 45 N 0.00 0.00 -3.69 1.61 3.41 -1.26 -4.99 113.62 108.70 2wwq n SER 45 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2wwq n SER 45 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2wwq n SER 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2wwq s GLU 46 N 0.00 1.46 -0.16 4.33 4.04 -1.26 -5.05 118.70 122.06 2wwq s GLU 46 Ca 0.00 -0.83 -0.04 0.00 0.04 0.00 0.00 54.97 54.14 2wwq s GLU 46 Cb 0.00 0.48 -0.03 0.00 0.02 0.00 0.00 34.13 34.60 2wwq s GLU 46 CO 0.00 -0.67 -0.04 0.08 -1.84 0.00 0.00 175.26 172.79 2wwq s VAL 47 N -3.30 3.83 -0.13 1.83 1.01 -1.26 -1.44 120.40 120.94 2wwq s VAL 47 Ca 0.13 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 2wwq s VAL 47 Cb -0.03 -2.68 -0.25 0.00 0.00 0.00 0.00 36.38 33.41 2wwq s VAL 47 CO 0.05 0.49 0.59 0.17 0.00 0.00 0.00 175.10 176.39 2wwq h LEU 48 N 6.82 0.19 -7.98 3.92 -0.00 -1.73 -3.48 115.31 113.04 2wwq h LEU 48 Ca -0.32 -0.83 -0.10 0.00 -0.00 0.00 0.00 57.88 56.64 2wwq h LEU 48 Cb 1.19 -0.06 -0.14 0.00 -0.00 0.00 0.00 40.66 41.65 2wwq h LEU 48 CO 0.62 1.37 -0.49 0.68 -0.00 0.00 0.00 178.44 180.62 2wwq s VAL 49 N -2.36 0.17 0.12 0.15 -7.23 -1.25 -5.06 120.40 104.94 2wwq s VAL 49 Ca -0.21 -1.43 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 2wwq s VAL 49 Cb 0.02 -1.41 0.07 0.00 0.56 0.00 0.00 36.38 35.62 2wwq s VAL 49 CO 0.71 -0.79 0.81 0.00 -0.31 0.00 0.00 175.10 175.53 2wwq s ALA 50 N -3.89 -1.63 0.14 1.32 0.00 -1.26 -0.98 121.76 115.47 2wwq s ALA 50 Ca 0.06 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.20 2wwq s ALA 50 Cb 0.06 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.91 2wwq s ALA 50 CO -0.11 -0.86 0.75 0.00 0.00 0.00 0.00 175.76 175.54 2wwq s ALA 51 N -3.44 -1.59 0.00 0.00 0.00 -0.76 -5.01 121.76 110.95 2wwq s ALA 51 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2wwq s ALA 51 Cb -0.02 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2wwq s ALA 51 CO -0.04 -0.84 0.00 0.43 0.00 0.00 0.00 175.76 175.31 2wwq n SER 52 N -0.37 0.00 0.03 0.00 7.64 -1.26 -1.49 113.62 118.16 2wwq n SER 52 Ca -0.11 -0.95 0.12 0.00 1.01 0.00 0.00 58.87 58.94 2wwq n SER 52 Cb 0.62 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 64.07 2wwq n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wwq n THR 53 N 0.00 0.19 0.17 0.44 -2.24 -0.95 -4.39 114.28 107.49 2wwq n THR 53 Ca 0.00 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 2wwq n THR 53 Cb 0.00 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 2wwq n THR 53 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2wwq n VAL 54 N -1.82 0.42 -1.61 2.28 0.24 -1.26 -4.34 118.33 112.24 2wwq n VAL 54 Ca 0.05 -0.48 -0.44 0.00 -2.04 0.00 0.00 64.34 61.43 2wwq n VAL 54 Cb 0.39 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 2wwq n VAL 54 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wwq n GLU 55 N -2.46 1.48 0.18 7.34 4.71 -1.26 -4.89 120.64 125.74 2wwq n GLU 55 Ca -0.00 0.52 0.09 0.00 -0.01 0.00 0.00 57.16 57.75 2wwq n GLU 55 Cb 0.53 -1.95 0.11 0.00 -1.01 0.00 0.00 31.44 29.12 2wwq n GLU 55 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2wwq h LYS 56 N 2.01 0.00 -0.20 3.49 1.63 -1.98 -1.15 116.57 120.38 2wwq h LYS 56 Ca -0.41 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.33 2wwq h LYS 56 Cb 1.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 2wwq h LYS 56 CO 0.60 0.16 -0.10 0.00 -3.45 0.00 0.00 179.45 176.66 2wwq h ALA 57 N 1.83 0.28 0.51 5.00 0.00 -1.95 -2.47 119.26 122.46 2wwq h ALA 57 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2wwq h ALA 57 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wwq h ALA 57 CO 0.02 0.12 -0.42 0.82 0.00 0.00 0.00 179.25 179.79 2wwq h ILE 58 N 0.12 0.00 -0.93 0.00 1.08 -1.88 -3.39 117.51 112.51 2wwq h ILE 58 Ca 0.04 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.77 2wwq h ILE 58 Cb 0.59 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2wwq h ILE 58 CO 0.03 0.00 0.66 0.00 -0.69 0.00 0.00 178.15 178.15 2wwq h ALA 59 N -1.13 2.71 -0.40 1.87 0.00 -0.71 -3.28 119.26 118.31 2wwq h ALA 59 Ca -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2wwq h ALA 59 Cb 0.76 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2wwq h ALA 59 CO -0.00 -0.99 -0.14 0.93 0.00 0.00 0.00 179.25 179.05 2wwq h GLU 60 N 0.10 -0.05 -1.15 0.00 5.08 -1.75 -2.36 114.58 114.45 2wwq h GLU 60 Ca 0.46 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.39 2wwq h GLU 60 Cb 1.65 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.69 2wwq h GLU 60 CO -0.06 -0.03 0.56 0.00 -1.00 0.00 0.00 179.01 178.47 2wwq n GLN 61 N -5.34 2.06 -4.94 2.33 10.64 -1.24 -4.81 117.38 116.08 2wwq n GLN 61 Ca 0.02 -2.26 -0.27 0.00 -1.83 0.00 0.00 57.00 52.66 2wwq n GLN 61 Cb 0.25 -1.89 -0.16 0.00 -0.86 0.00 0.00 30.24 27.58 2wwq n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2wwq s LEU 62 N -2.56 1.96 -0.08 2.61 1.02 -0.89 -4.84 118.68 115.90 2wwq s LEU 62 Ca 0.44 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 53.96 2wwq s LEU 62 Cb 0.35 -1.06 -0.19 0.00 0.02 0.00 0.00 46.19 45.31 2wwq s LEU 62 CO 0.03 0.18 0.88 0.50 0.02 0.00 0.00 176.35 177.96 2wwq h LYS 63 N 6.16 -0.07 -3.50 1.70 3.64 -1.87 -3.48 116.57 119.14 2wwq h LYS 63 Ca -0.33 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 2wwq h LYS 63 Cb 1.17 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.90 2wwq h LYS 63 CO 0.48 0.55 -0.10 -0.47 -2.27 0.00 0.00 179.45 177.64 2wwq s TYR 64 N -3.08 0.04 0.22 1.91 5.04 -1.26 -5.14 117.35 115.08 2wwq s TYR 64 Ca -0.15 -0.39 -0.31 0.00 -2.44 0.00 0.00 57.07 53.78 2wwq s TYR 64 Cb -0.01 0.23 -0.10 0.00 0.35 0.00 0.00 41.96 42.43 2wwq s TYR 64 CO 0.57 -0.83 1.51 0.95 -1.34 0.00 0.00 175.55 176.41 2wwq s THR 65 N -3.90 2.56 0.00 4.34 -4.23 -1.26 -3.80 115.64 109.35 2wwq s THR 65 Ca 0.11 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2wwq s THR 65 Cb 0.01 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2wwq s THR 65 CO -0.03 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2wwq n GLY 66 N 2.83 0.47 0.40 3.99 0.00 -1.14 -4.66 105.19 107.08 2wwq n GLY 66 Ca 0.10 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.30 2wwq n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wwq n ASN 67 N 1.72 1.42 0.00 1.61 4.13 -1.25 -4.89 115.26 118.01 2wwq n ASN 67 Ca 0.00 -1.24 0.00 0.00 1.68 0.00 0.00 54.58 55.02 2wwq n ASN 67 Cb 0.01 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2wwq n ASN 67 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2wwq n LYS 68 N -0.16 0.00 -0.16 3.52 4.81 -1.26 -4.75 118.16 120.16 2wwq n LYS 68 Ca 0.14 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.70 2wwq n LYS 68 Cb 0.38 -2.51 0.26 0.00 0.02 0.00 0.00 35.03 33.18 2wwq n LYS 68 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2wwq n ASP 69 N 0.00 2.91 -0.05 3.14 5.75 -1.26 -2.42 116.55 124.62 2wwq n ASP 69 Ca 0.00 -1.92 0.11 0.00 -0.01 0.00 0.00 54.79 52.97 2wwq n ASP 69 Cb 0.00 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 2wwq n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wwq n ALA 70 N 1.14 4.28 0.44 2.12 0.00 -1.26 -2.55 120.51 124.67 2wwq n ALA 70 Ca 0.18 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 53.14 2wwq n ALA 70 Cb 0.52 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 2wwq n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 71 N -1.35 3.18 0.73 0.00 0.00 -1.18 -3.72 120.51 118.18 2wwq n ALA 71 Ca 0.05 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wwq n ALA 71 Cb 0.34 -0.34 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2wwq n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 72 N -1.14 3.50 0.99 0.00 0.00 -1.02 -0.96 120.51 121.89 2wwq n ALA 72 Ca 0.02 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.19 2wwq n ALA 72 Cb 0.15 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.71 2wwq n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 73 N -1.70 3.93 0.32 0.00 0.00 -1.06 -3.48 120.51 118.52 2wwq n ALA 73 Ca 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.08 2wwq n ALA 73 Cb 0.40 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.87 2wwq n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wwq n VAL 74 N -1.51 0.01 -0.07 0.00 0.31 -1.23 -2.46 118.33 113.38 2wwq n VAL 74 Ca 0.05 -0.51 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 2wwq n VAL 74 Cb 0.34 1.16 0.02 0.00 -0.91 0.00 0.00 33.84 34.44 2wwq n VAL 74 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wwq h GLY 75 N 1.55 0.87 0.83 2.92 0.00 -1.08 -2.39 103.07 105.77 2wwq h GLY 75 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 2wwq h GLY 75 CO 0.00 0.82 -0.06 1.70 0.00 0.00 0.00 176.54 179.00 2wwq h LYS 76 N 0.65 -0.15 -0.30 4.80 3.64 -1.65 -2.99 116.57 120.56 2wwq h LYS 76 Ca 0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2wwq h LYS 76 Cb 0.99 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2wwq h LYS 76 CO 0.09 0.05 -0.04 0.00 -2.27 0.00 0.00 179.45 177.28 2wwq h ALA 77 N 0.53 1.37 -0.43 5.00 0.00 -1.48 0.25 119.26 124.50 2wwq h ALA 77 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2wwq h ALA 77 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wwq h ALA 77 CO 0.03 0.43 0.12 -0.39 0.00 0.00 0.00 179.25 179.44 2wwq h VAL 78 N 0.45 1.23 -0.71 0.00 -1.51 -1.52 -0.15 116.25 114.04 2wwq h VAL 78 Ca 0.09 -0.77 -0.06 0.00 -1.23 0.00 0.00 66.70 64.73 2wwq h VAL 78 Cb 0.36 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.40 2wwq h VAL 78 CO 0.02 0.27 0.20 0.00 -1.23 0.00 0.00 177.57 176.83 2wwq h ALA 79 N 0.97 1.02 0.17 5.19 0.00 -1.14 -2.64 119.26 122.84 2wwq h ALA 79 Ca 0.14 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2wwq h ALA 79 Cb 0.29 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wwq h ALA 79 CO -0.00 0.65 -1.22 0.93 0.00 0.00 0.00 179.25 179.61 2wwq h GLU 80 N 1.05 0.37 0.14 0.00 5.08 -0.37 -3.35 114.58 117.50 2wwq h GLU 80 Ca 0.23 -0.63 -0.30 0.00 -1.00 0.00 0.00 59.36 57.65 2wwq h GLU 80 Cb 0.32 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wwq h GLU 80 CO -0.00 1.30 -1.44 0.00 -1.00 0.00 0.00 179.01 177.87 2wwq h ARG 81 N -0.16 0.29 0.23 2.33 2.47 -1.09 -3.00 114.38 115.44 2wwq h ARG 81 Ca -0.23 -0.50 -0.01 0.00 -1.26 0.00 0.00 59.98 57.98 2wwq h ARG 81 Cb 1.87 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 2wwq h ARG 81 CO 0.17 1.19 -0.11 0.00 0.56 0.00 0.00 179.97 181.78 2wwq h ALA 82 N 0.48 -0.31 -0.01 0.04 0.00 -1.66 -3.23 119.26 114.57 2wwq h ALA 82 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wwq h ALA 82 Cb 2.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2wwq h ALA 82 CO 0.19 -0.59 -0.02 1.28 0.00 0.00 0.00 179.25 180.11 2wwq n LEU 83 N -5.15 0.81 -0.07 0.00 4.77 -1.25 -0.41 117.00 115.70 2wwq n LEU 83 Ca -0.09 -0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 2wwq n LEU 83 Cb 0.20 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2wwq n LEU 83 CO 0.33 0.14 0.58 -0.08 -1.33 0.00 0.00 177.39 177.04 2wwq h GLU 84 N 1.24 0.51 -0.37 3.23 4.57 -1.54 -3.06 114.58 119.17 2wwq h GLU 84 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2wwq h GLU 84 Cb 0.30 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2wwq h GLU 84 CO 0.00 0.85 0.00 1.63 -1.18 0.00 0.00 179.01 180.31 2wwq n LYS 85 N -4.42 1.84 -0.86 1.92 4.76 -1.02 -4.90 118.16 115.49 2wwq n LYS 85 Ca -0.05 -1.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 2wwq n LYS 85 Cb 0.41 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2wwq n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wwq n GLY 86 N 1.02 0.64 3.75 0.72 0.00 -0.73 -4.96 105.19 105.62 2wwq n GLY 86 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2wwq n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wwq s ILE 87 N -2.87 2.13 0.00 -0.61 -1.09 0.46 -4.74 121.20 114.48 2wwq s ILE 87 Ca 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2wwq s ILE 87 Cb 0.00 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 2wwq s ILE 87 CO 0.00 -0.00 0.45 0.29 -1.23 0.00 0.00 174.94 174.45 2wwq n LYS 88 N -1.06 0.00 -0.43 2.79 5.02 -1.26 -3.90 118.16 119.32 2wwq n LYS 88 Ca 0.11 -0.41 0.04 0.00 -2.02 0.00 0.00 58.31 56.02 2wwq n LYS 88 Cb 0.45 -0.33 0.20 0.00 -0.02 0.00 0.00 35.03 35.33 2wwq n LYS 88 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wwq n ASP 89 N 0.00 3.24 -4.76 4.39 8.00 -1.26 -2.82 116.55 123.35 2wwq n ASP 89 Ca 0.00 -2.42 -0.41 0.00 0.71 0.00 0.00 54.79 52.67 2wwq n ASP 89 Cb 0.53 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2wwq n ASP 89 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2wwq s VAL 90 N -1.85 2.01 -0.08 2.53 -7.23 -1.25 -4.04 120.40 110.50 2wwq s VAL 90 Ca 0.27 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2wwq s VAL 90 Cb 0.20 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 34.15 2wwq s VAL 90 CO 0.09 0.00 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.30 2wwq s SER 91 N 0.33 2.12 -0.02 4.85 0.01 -1.08 -4.73 113.70 115.19 2wwq s SER 91 Ca 0.61 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 2wwq s SER 91 Cb -0.48 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 2wwq s SER 91 CO 0.53 0.03 1.09 0.12 0.41 0.00 0.00 173.24 175.42 2wwq s PHE 92 N 0.79 3.46 -0.43 2.43 5.36 -1.26 -1.59 117.98 126.74 2wwq s PHE 92 Ca -0.12 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 2wwq s PHE 92 Cb -0.16 -3.28 0.12 0.00 -0.34 0.00 0.00 43.02 39.36 2wwq s PHE 92 CO 0.02 -0.67 0.19 0.34 -1.46 0.00 0.00 175.22 173.64 2wwq s ASP 93 N 1.15 4.90 0.20 6.13 2.15 0.11 -4.89 116.67 126.42 2wwq s ASP 93 Ca 0.54 -2.38 -0.08 0.00 0.43 0.00 0.00 52.55 51.05 2wwq s ASP 93 Cb -0.23 -1.72 0.13 0.00 -0.30 0.00 0.00 42.92 40.79 2wwq s ASP 93 CO 0.25 -0.40 1.74 0.08 -0.17 0.00 0.00 175.17 176.66 2wwq h ARG 94 N 7.45 1.16 -0.14 4.34 0.11 -1.88 -3.12 114.38 122.29 2wwq h ARG 94 Ca -0.07 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2wwq h ARG 94 Cb 0.99 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.91 2wwq h ARG 94 CO 0.63 0.99 0.00 0.43 0.10 0.00 0.00 179.97 182.12 2wwq n SER 95 N -4.25 -1.02 0.00 0.08 7.64 -1.26 -2.22 113.62 112.59 2wwq n SER 95 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2wwq n SER 95 Cb 0.24 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2wwq n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wwq n GLY 96 N -0.91 0.49 3.77 0.23 0.00 -1.25 -4.67 105.19 102.85 2wwq n GLY 96 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wwq n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wwq s PHE 97 N -2.03 3.41 0.57 1.61 0.08 -0.94 -4.94 117.98 115.75 2wwq s PHE 97 Ca 0.00 0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.24 2wwq s PHE 97 Cb 0.00 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2wwq s PHE 97 CO 0.00 0.52 1.03 -0.65 -0.10 0.00 0.00 175.22 176.02 2wwq s GLN 98 N -0.58 3.56 -1.25 0.44 -0.21 -1.26 -4.84 119.66 115.52 2wwq s GLN 98 Ca 0.12 1.07 -0.09 0.00 0.02 0.00 0.00 55.36 56.47 2wwq s GLN 98 Cb -0.12 -2.07 0.18 0.00 1.00 0.00 0.00 33.01 32.00 2wwq s GLN 98 CO 0.02 -0.60 1.76 0.98 -2.12 0.00 0.00 175.29 175.33 2wwq n TYR 99 N -1.96 3.19 -3.77 0.91 4.19 -1.26 -4.67 117.16 113.79 2wwq n TYR 99 Ca 0.08 -2.86 -0.13 0.00 3.31 0.00 0.00 57.90 58.29 2wwq n TYR 99 Cb 0.53 -1.91 -0.10 0.00 0.49 0.00 0.00 39.34 38.36 2wwq n TYR 99 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 2wwq s HIS 100 N 0.20 -0.26 0.00 2.98 3.76 -1.26 -4.55 115.29 116.16 2wwq s HIS 100 Ca 0.39 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 2wwq s HIS 100 Cb 0.07 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.86 2wwq s HIS 100 CO 0.01 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.06 2wwq n GLY 101 N 2.23 3.14 0.14 -2.22 0.00 -1.26 -2.62 105.19 104.60 2wwq n GLY 101 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2wwq n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wwq h ARG 102 N 0.00 0.00 -0.54 1.61 3.08 -1.96 -0.44 114.38 116.13 2wwq h ARG 102 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wwq h ARG 102 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2wwq h ARG 102 CO 0.00 0.60 0.28 0.28 -1.07 0.00 0.00 179.97 180.06 2wwq h VAL 103 N 0.00 1.19 -0.21 2.04 2.07 -1.79 -2.88 116.25 116.67 2wwq h VAL 103 Ca -0.01 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2wwq h VAL 103 Cb 1.22 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2wwq h VAL 103 CO 0.08 0.21 0.03 -0.61 0.02 0.00 0.00 177.57 177.30 2wwq h GLN 104 N 0.73 0.35 -7.39 1.57 4.15 -1.47 -3.44 115.11 109.61 2wwq h GLN 104 Ca 0.19 -0.10 -0.44 0.00 0.77 0.00 0.00 58.65 59.07 2wwq h GLN 104 Cb 0.08 -0.04 0.17 0.00 0.21 0.00 0.00 27.48 27.90 2wwq h GLN 104 CO -0.03 0.51 0.18 0.00 -1.93 0.00 0.00 178.83 177.56 2wwq s ALA 105 N -5.14 0.89 -1.89 3.38 0.00 -0.19 -3.23 121.76 115.57 2wwq s ALA 105 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2wwq s ALA 105 Cb 0.07 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2wwq s ALA 105 CO 0.73 -3.04 0.00 1.47 0.00 0.00 0.00 175.76 174.91 2wwq n LEU 106 N -4.33 -1.51 0.00 0.00 -0.00 -1.23 -4.44 117.00 105.49 2wwq n LEU 106 Ca 0.08 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 2wwq n LEU 106 Cb 0.58 -2.69 0.00 0.00 -0.00 0.00 0.00 43.42 41.31 2wwq n LEU 106 CO 0.54 -0.74 0.00 0.00 -0.00 0.00 0.00 177.39 177.19 2wwq n ALA 107 N 0.12 0.00 0.25 1.47 0.00 -1.26 -4.56 120.51 116.54 2wwq n ALA 107 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.35 2wwq n ALA 107 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 2wwq n ALA 107 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wwq n ASP 108 N 0.00 0.54 -0.67 0.00 8.00 -1.20 -4.10 116.55 119.12 2wwq n ASP 108 Ca 0.00 0.04 0.13 0.00 0.71 0.00 0.00 54.79 55.66 2wwq n ASP 108 Cb 0.00 0.98 0.29 0.00 -0.02 0.00 0.00 41.12 42.37 2wwq n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wwq n ALA 109 N -2.06 2.64 0.91 2.24 0.00 -1.26 -2.92 120.51 120.06 2wwq n ALA 109 Ca -0.00 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 52.98 2wwq n ALA 109 Cb 0.51 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2wwq n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 110 N 0.61 3.10 0.81 0.00 0.00 -1.26 -3.02 120.51 120.75 2wwq n ALA 110 Ca 0.16 -0.63 0.10 0.00 0.00 0.00 0.00 53.44 53.07 2wwq n ALA 110 Cb 0.47 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 2wwq n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wwq n ARG 111 N 0.40 0.13 0.00 0.00 1.74 -1.15 -1.52 116.66 116.26 2wwq n ARG 111 Ca 0.10 -0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 2wwq n ARG 111 Cb 0.47 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.31 2wwq n ARG 111 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wwq n GLU 112 N -1.66 0.15 0.00 5.56 0.00 -1.17 -3.44 120.64 120.09 2wwq n GLU 112 Ca 0.03 -0.04 0.09 0.00 0.00 0.00 0.00 57.16 57.24 2wwq n GLU 112 Cb 0.38 -1.52 -0.08 0.00 0.00 0.00 0.00 31.44 30.22 2wwq n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wwq n ALA 113 N -1.68 4.22 -1.35 4.31 0.00 -1.17 -4.98 120.51 119.86 2wwq n ALA 113 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 2wwq n ALA 113 Cb 0.39 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 2wwq n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwq n GLY 114 N 1.42 0.46 3.79 0.00 0.00 -1.19 -5.01 105.19 104.66 2wwq n GLY 114 Ca 0.05 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 2wwq n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwq s LEU 115 N -0.49 3.70 -0.10 0.99 1.43 -0.57 -4.98 118.68 118.65 2wwq s LEU 115 Ca 0.00 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 54.76 2wwq s LEU 115 Cb 0.00 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 2wwq s LEU 115 CO 0.00 -1.04 0.98 -1.10 0.23 0.00 0.00 176.35 175.43 2wwq s GLN 116 N -3.54 4.42 0.00 1.70 -1.52 -1.13 -4.68 119.66 114.91 2wwq s GLN 116 Ca 0.67 1.35 0.00 0.00 -1.95 0.00 0.00 55.36 55.43 2wwq s GLN 116 Cb -0.18 -3.54 0.00 0.00 -0.22 0.00 0.00 33.01 29.07 2wwq s GLN 116 CO 0.28 -0.29 0.00 1.19 -0.25 0.00 0.00 175.29 176.22