#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwu s SER 2 N 0.00 -0.39 -0.03 1.61 0.15 -1.26 -5.09 113.70 108.70 1wwu s SER 2 Ca 0.00 0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 1wwu s SER 2 Cb 0.00 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1wwu s SER 2 CO 0.00 -0.74 -0.13 -0.24 1.20 0.00 0.00 173.24 173.34 1wwu n SER 3 N 0.31 1.22 -3.29 5.45 2.88 -1.26 -5.13 113.62 113.80 1wwu n SER 3 Ca -0.18 0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1wwu n SER 3 Cb 0.61 -0.43 0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1wwu n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwu s GLY 4 N -4.55 0.16 0.24 0.46 0.00 -1.26 -5.18 107.32 97.19 1wwu s GLY 4 Ca -0.11 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.19 1wwu s GLY 4 CO 0.16 0.30 -0.09 -0.56 0.00 0.00 0.00 173.10 172.90 1wwu s SER 5 N -3.09 2.64 -0.15 1.64 0.01 -1.26 -5.09 113.70 108.40 1wwu s SER 5 Ca 0.15 -1.12 -0.13 0.00 1.31 0.00 0.00 55.95 56.17 1wwu s SER 5 Cb -0.04 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1wwu s SER 5 CO 0.08 -0.27 -0.26 -1.20 0.41 0.00 0.00 173.24 172.01 1wwu n SER 6 N -0.49 1.65 -2.62 2.44 7.64 -1.26 -5.08 113.62 115.91 1wwu n SER 6 Ca -0.06 0.38 -0.04 0.00 1.01 0.00 0.00 58.87 60.16 1wwu n SER 6 Cb 0.62 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1wwu n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwu n GLY 7 N 1.52 -2.61 3.13 0.23 0.00 -1.26 -5.04 105.19 101.16 1wwu n GLY 7 Ca -0.10 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 1wwu n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wwu s PHE 8 N -1.93 2.20 0.04 1.61 2.19 -1.26 -5.13 117.98 115.70 1wwu s PHE 8 Ca 0.11 -0.95 0.03 0.00 0.33 0.00 0.00 56.93 56.45 1wwu s PHE 8 Cb -0.03 -1.52 -0.04 0.00 -1.31 0.00 0.00 43.02 40.12 1wwu s PHE 8 CO 0.68 -0.43 0.02 1.03 1.83 0.00 0.00 175.22 178.35 1wwu s ARG 9 N 0.62 2.76 -0.01 10.12 1.81 -1.26 -5.02 118.95 127.96 1wwu s ARG 9 Ca -0.14 -0.68 0.17 0.00 -1.72 0.00 0.00 55.73 53.36 1wwu s ARG 9 Cb -0.16 -2.66 -0.19 0.00 -0.45 0.00 0.00 34.95 31.48 1wwu s ARG 9 CO 0.04 0.59 0.61 0.28 -0.68 0.00 0.00 175.30 176.14 1wwu n VAL 10 N 0.93 1.13 -3.58 3.52 0.31 -1.26 -5.00 118.33 114.39 1wwu n VAL 10 Ca -0.12 -0.71 -0.09 0.00 -0.01 0.00 0.00 64.34 63.40 1wwu n VAL 10 Cb 0.52 -0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 1wwu n VAL 10 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1wwu s GLU 11 N -2.87 0.56 -0.13 5.55 2.56 -1.26 -5.07 118.70 118.04 1wwu s GLU 11 Ca -0.05 0.09 -0.20 0.00 0.00 0.00 0.00 54.97 54.81 1wwu s GLU 11 Cb 0.09 0.26 -0.26 0.00 2.00 0.00 0.00 34.13 36.22 1wwu s GLU 11 CO 0.83 -0.18 0.56 0.00 -0.56 0.00 0.00 175.26 175.90 1wwu h ARG 12 N 2.45 0.15 -3.88 4.30 3.08 -2.05 -3.44 114.38 115.00 1wwu h ARG 12 Ca -0.17 -0.26 -0.60 0.00 0.07 0.00 0.00 59.98 59.01 1wwu h ARG 12 Cb 1.17 0.10 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 1wwu h ARG 12 CO 0.30 1.12 -0.75 0.45 -1.07 0.00 0.00 179.97 180.03 1wwu s SER 13 N -6.84 4.20 0.15 7.04 0.15 -1.26 -5.12 113.70 112.02 1wwu s SER 13 Ca -0.21 -1.74 -0.17 0.00 0.70 0.00 0.00 55.95 54.53 1wwu s SER 13 Cb 0.03 -1.07 -0.07 0.00 -1.71 0.00 0.00 66.02 63.20 1wwu s SER 13 CO 0.72 -0.40 0.60 0.00 1.20 0.00 0.00 173.24 175.36 1wwu s GLN 14 N 1.43 4.09 -0.24 5.44 -2.07 -1.26 -5.02 119.66 122.03 1wwu s GLN 14 Ca 0.09 0.64 -0.29 0.00 -1.82 0.00 0.00 55.36 53.98 1wwu s GLN 14 Cb -0.18 -2.98 -0.02 0.00 -1.09 0.00 0.00 33.01 28.74 1wwu s GLN 14 CO -0.20 0.49 1.63 -1.25 -1.32 0.00 0.00 175.29 174.64 1wwu s PRO 15 N -1.80 3.73 -0.78 9.60 0.04 -1.26 -4.95 135.00 139.58 1wwu s PRO 15 Ca 0.37 1.61 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1wwu s PRO 15 Cb -0.16 -4.05 0.20 0.00 0.04 0.00 0.00 34.50 30.53 1wwu s PRO 15 CO 0.20 -1.37 0.67 0.00 0.04 0.00 0.00 177.00 176.54 1wwu n ALA 16 N 8.67 3.72 -3.17 8.56 0.00 -1.23 -4.60 120.51 132.46 1wwu n ALA 16 Ca 0.19 -4.61 0.05 0.00 0.00 0.00 0.00 53.44 49.07 1wwu n ALA 16 Cb 0.45 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1wwu n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wwu s SER 17 N -1.23 -0.34 -0.05 0.00 0.15 -1.26 -4.89 113.70 106.07 1wwu s SER 17 Ca 0.28 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.12 1wwu s SER 17 Cb -0.02 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.61 1wwu s SER 17 CO -0.12 -0.06 0.16 -1.10 1.20 0.00 0.00 173.24 173.32 1wwu s GLN 18 N 2.85 0.23 -0.13 5.44 -1.52 -1.26 -5.08 119.66 120.19 1wwu s GLN 18 Ca -0.03 0.16 -0.29 0.00 -1.95 0.00 0.00 55.36 53.24 1wwu s GLN 18 Cb -0.09 0.11 -0.04 0.00 -0.22 0.00 0.00 33.01 32.77 1wwu s GLN 18 CO -0.11 -0.03 1.54 -1.25 -0.25 0.00 0.00 175.29 175.19 1wwu s PRO 19 N -0.08 4.09 -0.11 2.91 0.04 -1.26 -4.96 135.00 135.63 1wwu s PRO 19 Ca -0.02 1.92 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1wwu s PRO 19 Cb -0.02 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.60 1wwu s PRO 19 CO 0.00 -0.93 -0.14 -1.17 0.04 0.00 0.00 177.00 174.80 1wwu s LEU 20 N 4.20 1.68 0.34 -3.56 0.20 -1.26 -4.99 118.68 115.29 1wwu s LEU 20 Ca 0.68 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 55.12 1wwu s LEU 20 Cb -0.28 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 1wwu s LEU 20 CO 0.26 -0.00 0.20 0.42 -0.29 0.00 0.00 176.35 176.94 1wwu s THR 21 N 1.10 0.24 0.12 3.68 -4.23 -1.26 -4.97 115.64 110.32 1wwu s THR 21 Ca -0.04 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.71 1wwu s THR 21 Cb -0.14 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.49 1wwu s THR 21 CO -0.03 0.00 1.83 1.88 -0.54 0.00 0.00 174.62 177.75 1wwu h TYR 22 N 2.06 0.00 -0.00 3.99 0.05 -2.00 -2.45 116.97 118.61 1wwu h TYR 22 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1wwu h TYR 22 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1wwu h TYR 22 CO 1.47 0.22 -0.00 -1.91 -1.05 0.00 0.00 178.16 176.88 1wwu n GLU 23 N -3.37 0.74 -0.70 4.88 4.07 -1.26 -4.07 120.64 120.92 1wwu n GLU 23 Ca 0.00 -0.02 -0.20 0.00 -0.06 0.00 0.00 57.16 56.89 1wwu n GLU 23 Cb 0.43 -1.50 0.16 0.00 -0.06 0.00 0.00 31.44 30.47 1wwu n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1wwu n SER 24 N -1.12 -1.67 -0.90 4.31 3.41 -0.92 -4.96 113.62 111.77 1wwu n SER 24 Ca 0.19 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1wwu n SER 24 Cb 0.18 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1wwu n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwu n GLY 25 N -2.24 3.83 0.11 5.00 0.00 -1.26 -3.37 105.19 107.25 1wwu n GLY 25 Ca 0.10 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1wwu n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwu n PRO 26 N 0.00 0.16 -0.00 1.61 -0.04 -1.24 -0.88 135.00 134.60 1wwu n PRO 26 Ca 0.00 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 1wwu n PRO 26 Cb 0.00 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 31.53 1wwu n PRO 26 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wwu h ASP 27 N 0.00 0.00 0.09 3.54 3.32 -1.87 -3.31 116.42 118.19 1wwu h ASP 27 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1wwu h ASP 27 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1wwu h ASP 27 CO 0.00 0.89 -1.88 -0.62 -1.72 0.00 0.00 179.24 175.91 1wwu n GLU 28 N -3.02 0.71 -0.30 3.56 1.02 -1.03 -3.89 120.64 117.68 1wwu n GLU 28 Ca -0.14 0.32 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 1wwu n GLU 28 Cb 0.99 -1.70 0.30 0.00 -0.02 0.00 0.00 31.44 31.01 1wwu n GLU 28 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wwu h VAL 29 N -0.18 0.92 -0.49 2.62 2.07 -1.20 -0.95 116.25 119.03 1wwu h VAL 29 Ca -0.42 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1wwu h VAL 29 Cb 1.86 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1wwu h VAL 29 CO 0.00 0.16 0.12 -0.09 0.02 0.00 0.00 177.57 177.78 1wwu h ARG 30 N 0.87 0.78 -0.34 1.57 2.43 -1.73 -2.76 114.38 115.19 1wwu h ARG 30 Ca 0.45 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1wwu h ARG 30 Cb 0.52 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1wwu h ARG 30 CO -0.21 0.76 0.12 0.00 -1.51 0.00 0.00 179.97 179.13 1wwu h ALA 31 N 0.99 0.44 -0.85 2.80 0.00 -1.38 -1.99 119.26 119.27 1wwu h ALA 31 Ca 0.15 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1wwu h ALA 31 Cb 0.33 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1wwu h ALA 31 CO 0.00 0.07 0.46 2.35 0.00 0.00 0.00 179.25 182.13 1wwu h TRP 32 N 0.40 0.82 -0.10 0.00 7.01 -1.12 0.24 115.95 123.20 1wwu h TRP 32 Ca 0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1wwu h TRP 32 Cb 0.23 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1wwu h TRP 32 CO 0.00 0.24 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.80 1wwu h LEU 33 N 0.69 0.19 -0.82 0.65 3.38 -1.27 -3.08 115.31 115.06 1wwu h LEU 33 Ca 0.45 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1wwu h LEU 33 Cb 0.57 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1wwu h LEU 33 CO -0.32 0.53 0.48 -0.33 0.09 0.00 0.00 178.44 178.89 1wwu h GLU 34 N -0.14 0.82 -0.72 1.13 5.08 -0.61 -0.81 114.58 119.33 1wwu h GLU 34 Ca 0.02 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1wwu h GLU 34 Cb 0.44 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1wwu h GLU 34 CO 0.01 0.54 0.48 0.00 -1.00 0.00 0.00 179.01 179.04 1wwu h ALA 35 N 1.42 1.89 0.00 3.43 0.00 -0.92 0.21 119.26 125.29 1wwu h ALA 35 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wwu h ALA 35 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wwu h ALA 35 CO -0.21 -0.05 0.00 0.87 0.00 0.00 0.00 179.25 179.86 1wwu h LYS 36 N 0.58 0.00 -5.38 0.00 1.79 -1.08 -3.27 116.57 109.22 1wwu h LYS 36 Ca 0.34 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.47 1wwu h LYS 36 Cb 0.53 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.32 1wwu h LYS 36 CO -0.12 0.00 -0.65 0.00 -1.08 0.00 0.00 179.45 177.61 1wwu n ALA 37 N -1.85 -1.42 0.27 3.86 0.00 0.72 -4.95 120.51 117.14 1wwu n ALA 37 Ca 0.05 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 1wwu n ALA 37 Cb 0.44 -4.09 -0.05 0.00 0.00 0.00 0.00 19.45 15.75 1wwu n ALA 37 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wwu h PHE 38 N -2.21 -0.65 -1.24 0.00 0.04 -1.80 -3.49 116.94 107.59 1wwu h PHE 38 Ca -0.52 -0.02 0.18 0.00 2.80 0.00 0.00 57.97 60.41 1wwu h PHE 38 Cb 1.33 0.21 -0.26 0.00 2.20 0.00 0.00 35.95 39.43 1wwu h PHE 38 CO 0.44 -0.40 0.80 0.45 -0.60 0.00 0.00 178.31 178.99 1wwu s SER 39 N -3.83 -0.16 0.02 2.17 0.15 -1.26 -4.94 113.70 105.85 1wwu s SER 39 Ca -0.10 0.19 0.15 0.00 0.70 0.00 0.00 55.95 56.89 1wwu s SER 39 Cb 0.01 0.15 0.64 0.00 -1.71 0.00 0.00 66.02 65.11 1wwu s SER 39 CO 0.31 -0.14 1.48 -0.81 1.20 0.00 0.00 173.24 175.27 1wwu n PRO 40 N 0.72 0.02 -0.11 5.44 -0.04 -1.26 -2.03 135.00 137.74 1wwu n PRO 40 Ca -0.05 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 1wwu n PRO 40 Cb 0.58 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1wwu n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wwu n ARG 41 N -1.57 0.65 0.09 0.54 1.74 -1.26 -4.05 116.66 112.80 1wwu n ARG 41 Ca 0.03 0.21 -0.02 0.00 -0.77 0.00 0.00 57.85 57.31 1wwu n ARG 41 Cb 0.17 -1.56 0.24 0.00 -1.02 0.00 0.00 32.46 30.29 1wwu n ARG 41 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1wwu h ILE 42 N -0.25 1.29 -0.35 0.55 -0.00 -1.83 -0.36 117.51 116.55 1wwu h ILE 42 Ca -0.57 -1.40 -0.03 0.00 -0.00 0.00 0.00 64.86 62.86 1wwu h ILE 42 Cb 1.83 1.58 -0.01 0.00 -0.00 0.00 0.00 36.82 40.22 1wwu h ILE 42 CO -0.14 0.42 0.09 0.58 -0.00 0.00 0.00 178.15 179.11 1wwu h VAL 43 N 0.24 1.22 0.00 0.16 2.07 -1.61 0.72 116.25 119.04 1wwu h VAL 43 Ca 0.03 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1wwu h VAL 43 Cb 0.74 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1wwu h VAL 43 CO 0.06 0.25 -0.40 -0.33 0.02 0.00 0.00 177.57 177.17 1wwu h GLU 44 N 0.41 0.00 0.00 1.57 5.08 -1.68 1.17 114.58 121.14 1wwu h GLU 44 Ca 0.11 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 1wwu h GLU 44 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1wwu h GLU 44 CO 0.00 0.40 -1.15 -0.91 -1.00 0.00 0.00 179.01 176.34 1wwu h ASN 45 N 0.00 0.00 0.00 1.42 2.35 -0.83 -3.35 115.58 115.17 1wwu h ASN 45 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wwu h ASN 45 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1wwu h ASN 45 CO 0.05 0.74 -0.67 0.18 -1.65 0.00 0.00 177.43 176.08 1wwu n LEU 46 N -3.11 0.49 -0.17 1.61 4.77 0.25 -4.43 117.00 116.41 1wwu n LEU 46 Ca -0.06 -0.44 0.01 0.00 -0.03 0.00 0.00 56.01 55.49 1wwu n LEU 46 Cb 0.88 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.00 1wwu n LEU 46 CO 0.44 0.12 0.51 0.61 -1.33 0.00 0.00 177.39 177.74 1wwu n GLY 47 N 1.34 -0.49 0.00 -0.72 0.00 0.40 -3.09 105.19 102.64 1wwu n GLY 47 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1wwu n GLY 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wwu n ILE 48 N -0.26 0.00 -3.50 -0.61 -5.35 -1.26 -4.51 119.36 103.86 1wwu n ILE 48 Ca 0.02 -0.22 -0.29 0.00 -0.27 0.00 0.00 62.75 62.00 1wwu n ILE 48 Cb 0.08 0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 38.70 1wwu n ILE 48 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wwu s LEU 49 N -3.06 4.15 0.00 7.28 1.43 -1.18 -4.80 118.68 122.50 1wwu s LEU 49 Ca 0.02 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 1wwu s LEU 49 Cb 0.10 -3.41 0.21 0.00 0.03 0.00 0.00 46.19 43.13 1wwu s LEU 49 CO 0.59 -0.10 1.09 0.35 0.23 0.00 0.00 176.35 178.51 1wwu n THR 50 N -0.60 0.00 0.19 5.49 -2.24 -1.26 -3.68 114.28 112.19 1wwu n THR 50 Ca -0.02 -0.72 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 1wwu n THR 50 Cb 0.53 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 1wwu n THR 50 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wwu h GLY 51 N -1.76 -1.21 0.86 3.38 0.00 -1.72 -1.54 103.07 101.08 1wwu h GLY 51 Ca -0.37 0.63 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1wwu h GLY 51 CO 0.25 -0.31 -0.21 -0.56 0.00 0.00 0.00 176.54 175.71 1wwu h PRO 52 N -0.87 0.54 -1.01 4.80 0.13 -1.83 -2.87 132.00 130.89 1wwu h PRO 52 Ca -0.03 -0.28 0.24 0.00 -0.87 0.00 0.00 66.00 65.06 1wwu h PRO 52 Cb 0.82 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 1wwu h PRO 52 CO -0.20 0.86 0.64 1.96 -0.23 0.00 0.00 178.00 181.04 1wwu h GLN 53 N 0.23 0.44 0.20 0.86 4.20 -1.90 0.11 115.11 119.24 1wwu h GLN 53 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1wwu h GLN 53 Cb 0.76 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1wwu h GLN 53 CO 0.05 0.29 -0.09 1.25 -0.67 0.00 0.00 178.83 179.66 1wwu h LEU 54 N 0.45 -0.22 -1.98 1.46 5.85 -1.23 -3.23 115.31 116.41 1wwu h LEU 54 Ca 0.57 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 59.22 1wwu h LEU 54 Cb 1.34 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1wwu h LEU 54 CO -0.29 0.31 0.49 -0.26 -0.34 0.00 0.00 178.44 178.36 1wwu h PHE 55 N -0.96 0.00 0.00 1.25 0.04 -1.15 0.35 116.94 116.47 1wwu h PHE 55 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1wwu h PHE 55 Cb 0.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 1wwu h PHE 55 CO 0.06 0.00 -0.07 1.03 -0.60 0.00 0.00 178.31 178.73 1wwu h SER 56 N 0.00 0.00 -2.85 2.17 0.87 -0.82 -3.41 113.55 109.50 1wwu h SER 56 Ca 0.28 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.28 1wwu h SER 56 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1wwu h SER 56 CO -0.00 0.07 0.92 -0.76 -0.53 0.00 0.00 176.83 176.53 1wwu s LEU 57 N -7.70 4.24 0.00 2.23 1.43 0.12 -5.02 118.68 113.99 1wwu s LEU 57 Ca -0.04 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 54.89 1wwu s LEU 57 Cb 0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.93 1wwu s LEU 57 CO 0.59 -0.78 0.63 -0.46 0.23 0.00 0.00 176.35 176.56 1wwu n ASN 58 N 6.44 0.22 0.11 2.29 0.23 -1.26 -4.71 115.26 118.59 1wwu n ASN 58 Ca 0.14 -1.33 -0.06 0.00 -0.53 0.00 0.00 54.58 52.80 1wwu n ASN 58 Cb 0.44 -0.47 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 1wwu n ASN 58 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1wwu h LYS 59 N 0.00 -0.33 -0.65 -3.83 3.64 -1.95 0.26 116.57 113.71 1wwu h LYS 59 Ca -0.21 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.38 1wwu h LYS 59 Cb 0.61 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1wwu h LYS 59 CO 0.16 -0.22 0.51 1.05 -2.27 0.00 0.00 179.45 178.68 1wwu h GLU 60 N -0.35 0.00 -0.02 1.90 4.11 -1.96 0.11 114.58 118.38 1wwu h GLU 60 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1wwu h GLU 60 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wwu h GLU 60 CO 0.01 0.00 -0.04 0.93 0.07 0.00 0.00 179.01 179.98 1wwu h GLU 61 N 0.00 0.05 -0.60 1.06 5.08 -1.78 -2.73 114.58 115.66 1wwu h GLU 61 Ca 0.31 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1wwu h GLU 61 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1wwu h GLU 61 CO -0.00 0.61 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.53 1wwu h LEU 62 N -0.49 1.06 -2.14 1.33 3.38 0.94 -2.54 115.31 116.85 1wwu h LEU 62 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wwu h LEU 62 Cb 0.61 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wwu h LEU 62 CO 0.01 1.12 -0.06 0.11 0.09 0.00 0.00 178.44 179.71 1wwu h LYS 63 N 0.98 0.00 0.02 1.13 1.57 -0.90 0.98 116.57 120.35 1wwu h LYS 63 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1wwu h LYS 63 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1wwu h LYS 63 CO 0.03 0.06 -0.01 0.87 -0.57 0.00 0.00 179.45 179.83 1wwu h LYS 64 N 0.00 -0.03 0.00 3.15 1.57 -1.12 -1.10 116.57 119.04 1wwu h LYS 64 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1wwu h LYS 64 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1wwu h LYS 64 CO 0.01 0.41 -0.47 0.28 -0.57 0.00 0.00 179.45 179.11 1wwu h VAL 65 N -0.47 0.65 -0.77 0.50 2.07 -1.41 -3.37 116.25 113.45 1wwu h VAL 65 Ca -0.00 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 65.95 1wwu h VAL 65 Cb 0.45 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1wwu h VAL 65 CO 0.00 0.22 0.47 0.00 0.02 0.00 0.00 177.57 178.28 1wwu n GLY 67 N -1.31 1.29 0.10 0.00 0.00 -0.42 -4.14 105.19 100.72 1wwu n GLY 67 Ca 0.10 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1wwu n GLY 67 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wwu h GLU 68 N 0.00 0.17 -0.54 1.61 4.11 -1.92 -3.34 114.58 114.67 1wwu h GLU 68 Ca 0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 1wwu h GLU 68 Cb 0.00 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1wwu h GLU 68 CO 0.00 1.14 0.26 0.93 0.07 0.00 0.00 179.01 181.41 1wwu h GLU 69 N -0.59 0.75 -1.08 1.06 3.07 -1.93 -2.84 114.58 113.04 1wwu h GLU 69 Ca -0.18 -0.09 0.40 0.00 -0.50 0.00 0.00 59.36 58.99 1wwu h GLU 69 Cb 1.48 -0.15 -0.14 0.00 -0.84 0.00 0.00 28.75 29.10 1wwu h GLU 69 CO 0.04 0.59 0.66 0.41 -1.40 0.00 0.00 179.01 179.31 1wwu n GLY 70 N -1.19 -0.70 0.24 -3.84 0.00 -1.25 0.17 105.19 98.61 1wwu n GLY 70 Ca 0.05 0.68 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 1wwu n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wwu h VAL 71 N 0.00 1.19 0.12 1.61 2.07 -1.72 -1.12 116.25 118.39 1wwu h VAL 71 Ca 0.76 -0.48 -0.18 0.00 0.82 0.00 0.00 66.70 67.61 1wwu h VAL 71 Cb 2.28 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1wwu h VAL 71 CO -0.51 0.20 -0.79 -0.09 0.02 0.00 0.00 177.57 176.40 1wwu h ARG 72 N 0.73 0.33 -0.94 1.57 2.43 0.16 -3.20 114.38 115.46 1wwu h ARG 72 Ca 0.19 -0.51 0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1wwu h ARG 72 Cb 0.06 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 1wwu h ARG 72 CO -0.03 1.22 0.56 0.28 -1.51 0.00 0.00 179.97 180.49 1wwu h VAL 73 N -0.30 0.85 -0.17 0.20 2.07 -0.63 -1.44 116.25 116.83 1wwu h VAL 73 Ca -0.13 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1wwu h VAL 73 Cb 1.59 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1wwu h VAL 73 CO 0.15 0.15 0.07 0.22 0.02 0.00 0.00 177.57 178.18 1wwu h TYR 74 N 0.85 0.25 -0.55 1.57 3.20 -1.29 0.05 116.97 121.05 1wwu h TYR 74 Ca 0.49 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.39 1wwu h TYR 74 Cb 0.57 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1wwu h TYR 74 CO -0.03 0.31 0.36 1.03 -1.64 0.00 0.00 178.16 178.20 1wwu h SER 75 N 0.12 0.49 1.53 -2.11 0.87 -1.32 -0.05 113.55 113.07 1wwu h SER 75 Ca 0.06 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1wwu h SER 75 Cb 0.17 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1wwu h SER 75 CO -0.00 0.33 -0.45 1.56 -0.53 0.00 0.00 176.83 177.73 1wwu h GLN 76 N 0.56 0.00 0.12 2.24 1.08 -0.94 -3.15 115.11 115.02 1wwu h GLN 76 Ca 0.23 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1wwu h GLN 76 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wwu h GLN 76 CO -0.06 0.45 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.14 1wwu h LEU 77 N 0.00 -0.13 -0.65 1.46 3.38 0.66 -3.01 115.31 117.03 1wwu h LEU 77 Ca -0.00 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1wwu h LEU 77 Cb 1.33 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1wwu h LEU 77 CO 0.06 0.46 0.15 0.00 0.09 0.00 0.00 178.44 179.20 1wwu h THR 78 N -0.98 0.61 -0.50 0.22 1.03 -1.22 0.16 112.91 112.24 1wwu h THR 78 Ca -0.02 -0.09 0.01 0.00 -0.01 0.00 0.00 66.41 66.30 1wwu h THR 78 Cb 0.42 0.31 -0.03 0.00 -1.07 0.00 0.00 68.15 67.78 1wwu h THR 78 CO 0.03 0.05 0.33 0.00 -0.01 0.00 0.00 175.52 175.92 1wwu h MET 79 N 0.27 0.62 -0.15 0.00 -0.00 -1.67 -1.59 114.93 112.42 1wwu h MET 79 Ca 0.35 -0.04 -0.22 0.00 -0.00 0.00 0.00 59.70 59.79 1wwu h MET 79 Cb 0.53 -0.14 0.01 0.00 -0.00 0.00 0.00 31.60 32.00 1wwu h MET 79 CO -0.43 0.41 -0.76 0.37 -0.00 0.00 0.00 176.91 176.49 1wwu h GLN 80 N 0.64 0.74 -0.24 -0.10 5.75 -0.64 -2.84 115.11 118.42 1wwu h GLN 80 Ca 0.19 -0.60 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1wwu h GLN 80 Cb -0.02 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1wwu h GLN 80 CO -0.04 1.21 0.12 0.87 -2.65 0.00 0.00 178.83 178.33 1wwu h LYS 81 N 0.51 0.34 0.00 1.69 1.57 -0.29 -1.99 116.57 118.40 1wwu h LYS 81 Ca -0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1wwu h LYS 81 Cb 1.38 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1wwu h LYS 81 CO 0.15 0.34 -0.13 0.00 -0.57 0.00 0.00 179.45 179.24 1wwu h ALA 82 N 0.99 1.72 -0.19 3.86 0.00 -1.37 -1.76 119.26 122.51 1wwu h ALA 82 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1wwu h ALA 82 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wwu h ALA 82 CO -0.01 0.16 -0.58 0.35 0.00 0.00 0.00 179.25 179.17 1wwu h PHE 83 N 0.00 0.76 -0.19 0.00 3.57 -1.18 -3.19 116.94 116.70 1wwu h PHE 83 Ca -0.00 -0.28 -0.20 0.00 3.53 0.00 0.00 57.97 61.02 1wwu h PHE 83 Cb 0.24 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1wwu h PHE 83 CO 0.00 1.03 -0.66 -0.07 -2.23 0.00 0.00 178.31 176.38 1wwu h LEU 84 N 0.45 0.84 -1.62 0.59 3.38 -0.76 -3.12 115.31 115.07 1wwu h LEU 84 Ca 0.00 -0.50 0.35 0.00 0.09 0.00 0.00 57.88 57.82 1wwu h LEU 84 Cb 1.14 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 1wwu h LEU 84 CO 0.11 1.28 0.83 -0.33 0.09 0.00 0.00 178.44 180.42 1wwu h GLU 85 N 0.53 0.16 -1.53 1.13 4.39 -1.33 0.83 114.58 118.76 1wwu h GLU 85 Ca -0.02 -0.01 -0.60 0.00 0.34 0.00 0.00 59.36 59.07 1wwu h GLU 85 Cb 1.27 -0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 29.47 1wwu h GLU 85 CO 0.14 0.11 -0.60 0.36 -1.16 0.00 0.00 179.01 177.85 1wwu n LYS 86 N -4.45 3.39 0.03 2.33 2.85 -1.18 -4.74 118.16 116.39 1wwu n LYS 86 Ca 0.30 -4.43 -0.19 0.00 -1.05 0.00 0.00 58.31 52.94 1wwu n LYS 86 Cb 1.21 -2.25 -0.14 0.00 -0.65 0.00 0.00 35.03 33.19 1wwu n LYS 86 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1wwu h GLN 87 N 2.60 0.25 -6.04 -1.58 5.75 -0.86 -3.48 115.11 111.75 1wwu h GLN 87 Ca 0.32 -0.44 -0.56 0.00 -0.15 0.00 0.00 58.65 57.82 1wwu h GLN 87 Cb 0.87 0.16 -0.09 0.00 1.07 0.00 0.00 27.48 29.50 1wwu h GLN 87 CO 0.89 1.11 -0.56 1.14 -2.65 0.00 0.00 178.83 178.76 1wwu s GLN 88 N -2.58 2.25 -1.12 1.69 0.00 -1.26 -5.06 119.66 113.57 1wwu s GLN 88 Ca -0.15 -1.65 -0.14 0.00 -0.00 0.00 0.00 55.36 53.41 1wwu s GLN 88 Cb 0.07 -2.06 0.18 0.00 0.00 0.00 0.00 33.01 31.19 1wwu s GLN 88 CO 0.82 0.10 1.29 0.45 0.00 0.00 0.00 175.29 177.95 1wwu s SER 89 N -3.80 7.00 0.69 12.60 0.15 -1.26 -5.00 113.70 124.07 1wwu s SER 89 Ca 0.37 -2.87 0.00 0.00 0.70 0.00 0.00 55.95 54.15 1wwu s SER 89 Cb -0.01 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1wwu s SER 89 CO 0.21 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1wwu n GLY 90 N 4.20 -0.35 3.27 9.45 0.00 -1.26 -5.06 105.19 115.45 1wwu n GLY 90 Ca 0.31 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1wwu n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwu s SER 91 N -1.00 5.26 0.50 1.61 0.01 -1.26 -5.09 113.70 113.73 1wwu s SER 91 Ca 0.00 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 55.98 1wwu s SER 91 Cb 0.00 -1.86 -0.08 0.00 0.21 0.00 0.00 66.02 64.29 1wwu s SER 91 CO 0.00 -0.31 0.99 -1.83 0.41 0.00 0.00 173.24 172.51 1wwu s GLU 92 N 1.40 3.91 -0.01 12.44 1.03 -1.26 -5.00 118.70 131.21 1wwu s GLU 92 Ca -0.01 1.07 -0.02 0.00 0.03 0.00 0.00 54.97 56.04 1wwu s GLU 92 Cb -0.19 -2.13 -0.01 0.00 -0.80 0.00 0.00 34.13 31.00 1wwu s GLU 92 CO 0.02 -0.31 -0.05 1.28 -1.33 0.00 0.00 175.26 174.88 1wwu n LEU 93 N -1.36 0.58 -4.52 1.83 4.77 -1.26 -4.95 117.00 112.09 1wwu n LEU 93 Ca 0.07 0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 1wwu n LEU 93 Cb 0.54 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1wwu n LEU 93 CO 0.44 -0.17 2.00 -1.20 -1.33 0.00 0.00 177.39 177.12 1wwu n SER 94 N -3.32 0.30 -3.39 -1.43 7.64 -1.26 -4.88 113.62 107.28 1wwu n SER 94 Ca -0.06 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1wwu n SER 94 Cb 0.40 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1wwu n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwu n GLY 95 N 6.15 -1.61 3.67 0.23 0.00 -1.26 -4.93 105.19 107.44 1wwu n GLY 95 Ca 0.59 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1wwu n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwu s PRO 96 N 0.00 4.23 0.97 1.61 0.04 -1.26 -4.99 135.00 135.60 1wwu s PRO 96 Ca 0.00 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1wwu s PRO 96 Cb 0.00 -3.76 0.12 0.00 0.04 0.00 0.00 34.50 30.89 1wwu s PRO 96 CO 0.00 -0.71 0.77 0.45 0.04 0.00 0.00 177.00 177.55 1wwu n SER 97 N 6.27 -0.99 -4.78 6.66 2.88 -1.26 -4.94 113.62 117.46 1wwu n SER 97 Ca 0.15 0.29 -0.36 0.00 -1.33 0.00 0.00 58.87 57.62 1wwu n SER 97 Cb 0.43 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.55 1wwu n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwu s SER 98 N -2.32 6.36 0.00 -3.46 0.01 -1.26 -5.32 113.70 107.72 1wwu s SER 98 Ca 0.62 2.17 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1wwu s SER 98 Cb -0.22 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1wwu s SER 98 CO 0.63 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.12