#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 5.63 0.25 1.61 1.04 -1.26 -5.05 113.70 115.92 1wwu s SER 2 Ca 0.00 -1.44 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 1wwu s SER 2 Cb 0.00 -1.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 1wwu s SER 2 CO 0.00 -0.51 0.34 -0.44 0.98 0.00 0.00 173.24 173.61 1wwu s SER 3 N 2.02 0.28 0.00 7.02 0.01 -1.26 -5.15 113.70 116.62 1wwu s SER 3 Ca 0.03 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wwu s SER 3 Cb -0.22 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1wwu s SER 3 CO 0.03 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1wwu n GLY 4 N -0.39 1.79 2.85 3.44 0.00 -1.26 -5.17 105.19 106.45 1wwu n GLY 4 Ca 0.01 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1wwu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwu s SER 5 N 0.00 -0.02 0.19 1.61 0.01 -1.26 -5.16 113.70 109.08 1wwu s SER 5 Ca 0.00 0.15 0.10 0.00 1.31 0.00 0.00 55.95 57.51 1wwu s SER 5 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1wwu s SER 5 CO 0.00 -0.13 -0.17 -0.94 0.41 0.00 0.00 173.24 172.41 1wwu s SER 6 N 1.01 3.81 -0.94 2.44 1.04 -1.26 -5.07 113.70 114.73 1wwu s SER 6 Ca -0.08 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.60 1wwu s SER 6 Cb -0.11 -0.47 0.31 0.00 0.10 0.00 0.00 66.02 65.85 1wwu s SER 6 CO -0.04 0.11 1.50 0.61 0.98 0.00 0.00 173.24 176.40 1wwu n GLY 7 N 0.13 5.66 2.96 7.32 0.00 -1.26 -4.94 105.19 115.06 1wwu n GLY 7 Ca -0.11 -2.66 -0.31 0.00 0.00 0.00 0.00 46.02 42.94 1wwu n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wwu s PHE 8 N -3.58 3.19 -0.18 1.61 0.08 -1.26 -5.08 117.98 112.76 1wwu s PHE 8 Ca 0.38 -2.59 -0.31 0.00 0.12 0.00 0.00 56.93 54.54 1wwu s PHE 8 Cb 0.16 -2.49 0.14 0.00 -0.57 0.00 0.00 43.02 40.26 1wwu s PHE 8 CO -0.05 -0.91 1.12 0.50 -0.10 0.00 0.00 175.22 175.78 1wwu s ARG 9 N 1.11 0.43 -0.63 0.44 3.52 -1.26 -5.09 118.95 117.45 1wwu s ARG 9 Ca 0.08 0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.40 1wwu s ARG 9 Cb -0.19 0.20 -0.14 0.00 -1.56 0.00 0.00 34.95 33.27 1wwu s ARG 9 CO -0.11 -0.15 2.45 0.28 -0.81 0.00 0.00 175.30 176.97 1wwu n VAL 10 N 0.46 0.01 0.06 7.11 0.31 -1.26 -4.82 118.33 120.21 1wwu n VAL 10 Ca -0.06 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1wwu n VAL 10 Cb 0.59 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 1wwu n VAL 10 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wwu h GLU 11 N 14.95 -0.54 -6.46 5.55 3.07 -1.99 -3.43 114.58 125.73 1wwu h GLU 11 Ca -0.18 0.04 -0.53 0.00 -0.50 0.00 0.00 59.36 58.19 1wwu h GLU 11 Cb 1.30 0.12 0.23 0.00 -0.84 0.00 0.00 28.75 29.56 1wwu h GLU 11 CO 1.20 -0.36 -1.18 0.54 -1.40 0.00 0.00 179.01 177.82 1wwu n ARG 12 N -5.44 -0.28 -0.05 2.33 1.74 -1.26 -4.96 116.66 108.74 1wwu n ARG 12 Ca -0.06 -0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 56.96 1wwu n ARG 12 Cb 0.36 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1wwu n ARG 12 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1wwu h SER 13 N -1.38 0.00 -0.30 0.55 4.64 -2.03 -3.48 113.55 111.55 1wwu h SER 13 Ca -0.44 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1wwu h SER 13 Cb 1.30 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.19 1wwu h SER 13 CO 0.30 0.50 0.05 0.00 -0.87 0.00 0.00 176.83 176.81 1wwu s GLN 14 N -1.61 0.17 -0.58 4.77 -2.07 -1.26 -5.11 119.66 113.97 1wwu s GLN 14 Ca -0.03 0.24 -0.27 0.00 -1.82 0.00 0.00 55.36 53.48 1wwu s GLN 14 Cb 0.00 0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 1wwu s GLN 14 CO 0.04 -0.25 1.84 -1.25 -1.32 0.00 0.00 175.29 174.34 1wwu s PRO 15 N 2.95 2.73 -0.21 9.60 0.04 -1.26 -4.86 135.00 143.99 1wwu s PRO 15 Ca 0.12 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1wwu s PRO 15 Cb -0.06 -4.36 0.06 0.00 0.04 0.00 0.00 34.50 30.18 1wwu s PRO 15 CO -0.17 -2.61 2.35 0.00 0.04 0.00 0.00 177.00 176.61 1wwu n ALA 16 N 12.39 5.18 -3.65 8.56 0.00 -1.25 -4.58 120.51 137.15 1wwu n ALA 16 Ca 0.21 -1.43 -0.25 0.00 0.00 0.00 0.00 53.44 51.97 1wwu n ALA 16 Cb 0.51 -1.51 -0.17 0.00 0.00 0.00 0.00 19.45 18.28 1wwu n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wwu s SER 17 N 0.97 2.24 -0.24 0.00 0.01 -1.26 -4.98 113.70 110.44 1wwu s SER 17 Ca 0.31 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 1wwu s SER 17 Cb 0.21 -0.30 0.08 0.00 0.21 0.00 0.00 66.02 66.22 1wwu s SER 17 CO -0.04 -0.32 0.56 -1.58 0.41 0.00 0.00 173.24 172.27 1wwu s GLN 18 N 2.09 0.53 0.29 12.44 2.00 -1.26 -5.05 119.66 130.70 1wwu s GLN 18 Ca 0.02 1.09 -0.29 0.00 -2.00 0.00 0.00 55.36 54.18 1wwu s GLN 18 Cb -0.15 0.22 -0.10 0.00 0.80 0.00 0.00 33.01 33.78 1wwu s GLN 18 CO -0.08 -0.17 1.24 -1.25 -0.50 0.00 0.00 175.29 174.52 1wwu s PRO 19 N 1.89 4.46 -0.08 1.67 0.04 -1.26 -4.93 135.00 136.78 1wwu s PRO 19 Ca -0.08 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1wwu s PRO 19 Cb -0.08 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1wwu s PRO 19 CO -0.16 -0.06 0.16 -1.17 0.04 0.00 0.00 177.00 175.81 1wwu s LEU 20 N -1.44 0.07 0.32 -3.56 0.20 -1.26 -4.82 118.68 108.20 1wwu s LEU 20 Ca 0.48 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.69 1wwu s LEU 20 Cb -0.37 0.31 -0.03 0.00 -0.43 0.00 0.00 46.19 45.67 1wwu s LEU 20 CO 0.47 -0.22 0.19 0.42 -0.29 0.00 0.00 176.35 176.91 1wwu s THR 21 N 2.07 0.24 0.28 3.68 -4.23 -1.26 -4.97 115.64 111.45 1wwu s THR 21 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1wwu s THR 21 Cb -0.12 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1wwu s THR 21 CO -0.06 0.00 1.62 1.88 -0.54 0.00 0.00 174.62 177.52 1wwu h TYR 22 N 2.16 0.06 0.00 3.99 -1.99 -2.01 -2.65 116.97 116.53 1wwu h TYR 22 Ca -0.31 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1wwu h TYR 22 Cb 1.25 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1wwu h TYR 22 CO 1.26 0.63 0.00 -1.91 -0.00 0.00 0.00 178.16 178.13 1wwu n GLU 23 N -3.84 0.23 -0.55 4.88 2.13 -1.26 -4.04 120.64 118.19 1wwu n GLU 23 Ca -0.01 0.13 -0.18 0.00 0.66 0.00 0.00 57.16 57.76 1wwu n GLU 23 Cb 0.60 -1.50 0.15 0.00 0.27 0.00 0.00 31.44 30.96 1wwu n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1wwu n SER 24 N -1.29 -1.91 -0.88 4.31 3.41 -1.00 -4.97 113.62 111.29 1wwu n SER 24 Ca 0.08 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1wwu n SER 24 Cb 0.13 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.11 3.60 0.04 5.00 0.00 -1.26 -3.63 105.19 106.83 1wwu n GLY 25 Ca 0.09 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.06 -0.00 1.61 -0.04 -1.26 -1.02 135.00 134.35 1wwu n PRO 26 Ca 0.00 0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1wwu n PRO 26 Cb 0.00 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.74 1wwu n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wwu n ASP 27 N -1.72 0.70 -0.09 3.54 5.75 -1.26 -4.08 116.55 119.39 1wwu n ASP 27 Ca 0.03 0.31 -0.23 0.00 -0.01 0.00 0.00 54.79 54.89 1wwu n ASP 27 Cb 0.18 0.33 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 1wwu n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wwu n GLU 28 N -2.87 0.62 -0.30 0.11 -0.58 -0.99 -4.10 120.64 112.52 1wwu n GLU 28 Ca -0.14 0.42 0.14 0.00 -0.42 0.00 0.00 57.16 57.16 1wwu n GLU 28 Cb 0.92 -1.67 0.31 0.00 -0.57 0.00 0.00 31.44 30.43 1wwu n GLU 28 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wwu h VAL 29 N -0.70 0.35 -0.35 2.62 2.07 -1.29 0.73 116.25 119.67 1wwu h VAL 29 Ca -0.46 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1wwu h VAL 29 Cb 1.57 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1wwu h VAL 29 CO -0.18 0.05 0.11 -0.09 0.02 0.00 0.00 177.57 177.47 1wwu h ARG 30 N 0.26 0.49 -0.12 1.57 2.43 -1.75 -2.55 114.38 114.72 1wwu h ARG 30 Ca 0.57 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.64 1wwu h ARG 30 Cb 1.16 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1wwu h ARG 30 CO -0.62 0.44 -0.07 0.00 -1.51 0.00 0.00 179.97 178.20 1wwu h ALA 31 N 1.63 0.17 -0.84 2.80 0.00 0.27 -2.56 119.26 120.73 1wwu h ALA 31 Ca 0.12 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1wwu h ALA 31 Cb 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1wwu h ALA 31 CO -0.01 -0.03 0.49 2.35 0.00 0.00 0.00 179.25 182.05 1wwu h TRP 32 N -0.11 0.89 0.65 0.00 7.01 -1.02 -1.64 115.95 121.73 1wwu h TRP 32 Ca 0.02 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1wwu h TRP 32 Cb 0.55 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1wwu h TRP 32 CO 0.07 0.37 -0.31 -0.07 -2.79 0.00 0.00 178.44 175.71 1wwu h LEU 33 N 0.82 -0.74 -1.16 0.65 3.38 -1.43 -2.98 115.31 113.85 1wwu h LEU 33 Ca 0.40 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.73 1wwu h LEU 33 Cb 0.36 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 1wwu h LEU 33 CO -0.24 -0.48 0.65 -0.33 0.09 0.00 0.00 178.44 178.13 1wwu h GLU 34 N -0.98 0.28 -0.96 1.13 4.39 -1.29 0.61 114.58 117.77 1wwu h GLU 34 Ca -0.09 -0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.76 1wwu h GLU 34 Cb 0.67 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 1wwu h GLU 34 CO 0.15 0.19 0.61 0.00 -1.16 0.00 0.00 179.01 178.79 1wwu h ALA 35 N 1.75 1.79 0.00 3.43 0.00 -1.14 0.17 119.26 125.26 1wwu h ALA 35 Ca 0.73 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.58 1wwu h ALA 35 Cb 1.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1wwu h ALA 35 CO -0.50 -0.09 -0.44 0.87 0.00 0.00 0.00 179.25 179.08 1wwu h LYS 36 N 0.72 0.00 -3.92 0.00 1.79 0.23 -3.34 116.57 112.04 1wwu h LYS 36 Ca 0.51 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.81 1wwu h LYS 36 Cb 0.84 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.58 1wwu h LYS 36 CO -0.28 0.44 -0.40 0.00 -1.08 0.00 0.00 179.45 178.13 1wwu n ALA 37 N -2.21 -1.09 -0.27 3.86 0.00 0.61 -5.01 120.51 116.41 1wwu n ALA 37 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wwu n ALA 37 Cb 0.70 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wwu n ALA 37 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wwu n PHE 38 N -2.61 0.00 -3.57 0.00 3.72 -1.26 -5.04 117.46 108.70 1wwu n PHE 38 Ca -0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.18 1wwu n PHE 38 Cb 0.59 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1wwu n PHE 38 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wwu s SER 39 N -2.32 -0.27 0.00 4.37 1.04 -1.26 -5.01 113.70 110.25 1wwu s SER 39 Ca 0.00 0.16 0.15 0.00 0.48 0.00 0.00 55.95 56.74 1wwu s SER 39 Cb 0.00 0.25 0.82 0.00 0.10 0.00 0.00 66.02 67.19 1wwu s SER 39 CO 0.00 -0.35 1.38 -0.81 0.98 0.00 0.00 173.24 174.44 1wwu n PRO 40 N 0.26 0.33 -0.12 4.02 -0.04 -1.26 -2.21 135.00 135.97 1wwu n PRO 40 Ca -0.06 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 1wwu n PRO 40 Cb 0.59 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 1wwu n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wwu n ARG 41 N -1.16 0.57 0.01 0.54 3.00 -1.26 -3.78 116.66 114.57 1wwu n ARG 41 Ca 0.09 0.35 -0.01 0.00 -0.00 0.00 0.00 57.85 58.27 1wwu n ARG 41 Cb 0.09 -1.56 0.26 0.00 0.00 0.00 0.00 32.46 31.25 1wwu n ARG 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1wwu h ILE 42 N -1.00 1.23 -0.36 5.15 -0.00 -1.89 0.16 117.51 120.79 1wwu h ILE 42 Ca -0.49 -0.98 -0.09 0.00 -0.00 0.00 0.00 64.86 63.30 1wwu h ILE 42 Cb 1.40 1.11 -0.01 0.00 -0.00 0.00 0.00 36.82 39.32 1wwu h ILE 42 CO -0.30 0.32 -0.11 0.58 -0.00 0.00 0.00 178.15 178.64 1wwu h VAL 43 N 0.47 1.28 0.00 0.16 2.07 -1.66 0.36 116.25 118.92 1wwu h VAL 43 Ca 0.09 -1.20 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 1wwu h VAL 43 Cb 0.47 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1wwu h VAL 43 CO 0.03 0.39 -0.80 -0.33 0.02 0.00 0.00 177.57 176.88 1wwu h GLU 44 N 0.50 0.00 0.00 1.57 3.07 -1.61 1.73 114.58 119.84 1wwu h GLU 44 Ca 0.09 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.80 1wwu h GLU 44 Cb 0.63 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1wwu h GLU 44 CO 0.04 0.80 -0.81 -0.91 -1.40 0.00 0.00 179.01 176.73 1wwu h ASN 45 N 0.00 0.00 0.00 1.42 2.35 -0.60 -3.32 115.58 115.43 1wwu h ASN 45 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wwu h ASN 45 Cb 1.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1wwu h ASN 45 CO 0.10 0.67 -0.72 0.18 -1.65 0.00 0.00 177.43 176.02 1wwu n LEU 46 N -3.21 0.47 0.00 1.61 4.77 0.13 -4.41 117.00 116.36 1wwu n LEU 46 Ca -0.01 -0.42 0.14 0.00 -0.03 0.00 0.00 56.01 55.69 1wwu n LEU 46 Cb 0.82 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.74 1wwu n LEU 46 CO 0.43 0.12 1.01 0.61 -1.33 0.00 0.00 177.39 178.23 1wwu n GLY 47 N 1.36 -0.95 0.01 -0.72 0.00 0.59 -2.89 105.19 102.60 1wwu n GLY 47 Ca 0.02 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.05 0.00 -3.13 -0.61 -6.64 -1.26 -4.42 119.36 102.25 1wwu n ILE 48 Ca 0.20 -0.41 -0.35 0.00 -1.77 0.00 0.00 62.75 60.43 1wwu n ILE 48 Cb 0.12 0.16 -0.06 0.00 -1.44 0.00 0.00 39.64 38.42 1wwu n ILE 48 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1wwu s LEU 49 N -4.21 4.25 1.12 7.28 1.43 -1.14 -4.72 118.68 122.68 1wwu s LEU 49 Ca -0.06 1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.21 1wwu s LEU 49 Cb 0.13 -3.74 0.26 0.00 0.03 0.00 0.00 46.19 42.87 1wwu s LEU 49 CO 0.82 -0.05 1.19 0.42 0.23 0.00 0.00 176.35 178.97 1wwu s THR 50 N -1.68 1.74 0.11 5.49 -4.23 -1.26 -4.04 115.64 111.77 1wwu s THR 50 Ca 0.47 0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.63 1wwu s THR 50 Cb -0.14 -2.68 -0.14 0.00 1.34 0.00 0.00 72.50 70.88 1wwu s THR 50 CO 0.20 0.00 1.56 1.23 -0.54 0.00 0.00 174.62 177.06 1wwu h GLY 51 N -2.24 -1.12 1.12 3.99 0.00 -1.74 -1.23 103.07 101.84 1wwu h GLY 51 Ca -0.45 0.65 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 1wwu h GLY 51 CO 0.35 -0.25 -0.38 -0.56 0.00 0.00 0.00 176.54 175.71 1wwu h PRO 52 N -0.71 0.92 -0.97 4.80 0.13 -1.85 -2.83 132.00 131.49 1wwu h PRO 52 Ca 0.00 -0.49 0.17 0.00 -0.87 0.00 0.00 66.00 64.82 1wwu h PRO 52 Cb 0.74 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.80 1wwu h PRO 52 CO -0.32 1.14 0.61 1.96 -0.23 0.00 0.00 178.00 181.16 1wwu h GLN 53 N 0.74 0.72 0.12 0.86 4.20 -1.86 0.79 115.11 120.68 1wwu h GLN 53 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1wwu h GLN 53 Cb 0.97 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1wwu h GLN 53 CO 0.09 0.47 -0.06 1.25 -0.67 0.00 0.00 178.83 179.92 1wwu h LEU 54 N 0.74 -0.14 -1.95 1.46 5.85 -1.17 -3.23 115.31 116.87 1wwu h LEU 54 Ca 0.53 -0.42 0.20 0.00 0.84 0.00 0.00 57.88 59.03 1wwu h LEU 54 Cb 0.85 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1wwu h LEU 54 CO -0.30 0.46 0.51 -0.26 -0.34 0.00 0.00 178.44 178.51 1wwu h PHE 55 N -0.86 0.06 0.00 1.25 0.04 -1.18 0.30 116.94 116.55 1wwu h PHE 55 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1wwu h PHE 55 Cb 0.55 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1wwu h PHE 55 CO 0.10 0.02 -0.04 0.66 -0.60 0.00 0.00 178.31 178.45 1wwu h SER 56 N 0.04 0.00 -3.17 2.17 4.64 -0.87 -3.40 113.55 112.96 1wwu h SER 56 Ca 0.34 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.09 1wwu h SER 56 Cb 1.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 1wwu h SER 56 CO -0.02 0.04 0.68 -0.76 -0.87 0.00 0.00 176.83 175.90 1wwu s LEU 57 N -8.06 4.18 0.56 5.97 1.43 0.11 -5.04 118.68 117.82 1wwu s LEU 57 Ca -0.05 1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1wwu s LEU 57 Cb 0.15 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.84 1wwu s LEU 57 CO 0.60 -0.55 0.82 0.54 0.23 0.00 0.00 176.35 177.99 1wwu s ASN 58 N 1.15 5.48 0.09 2.29 2.20 -1.26 -4.67 114.94 120.22 1wwu s ASN 58 Ca 0.46 0.39 -0.18 0.00 -0.94 0.00 0.00 52.86 52.60 1wwu s ASN 58 Cb -0.17 -1.39 -0.04 0.00 -2.00 0.00 0.00 41.25 37.65 1wwu s ASN 58 CO 0.12 -1.05 1.22 1.17 -2.94 0.00 0.00 177.10 175.62 1wwu n LYS 59 N -2.43 -0.26 -0.30 3.55 4.81 -1.26 0.75 118.16 123.02 1wwu n LYS 59 Ca 0.05 1.20 0.13 0.00 -0.87 0.00 0.00 58.31 58.81 1wwu n LYS 59 Cb 0.58 -1.78 0.30 0.00 0.02 0.00 0.00 35.03 34.16 1wwu n LYS 59 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1wwu h GLU 60 N 0.00 0.37 0.59 1.64 4.11 -1.97 -1.90 114.58 117.42 1wwu h GLU 60 Ca 0.09 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.47 1wwu h GLU 60 Cb 0.24 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1wwu h GLU 60 CO -0.55 0.25 -0.28 0.93 0.07 0.00 0.00 179.01 179.42 1wwu h GLU 61 N 0.38 -0.76 -1.80 1.06 4.39 -0.02 -2.89 114.58 114.95 1wwu h GLU 61 Ca 0.55 0.05 0.52 0.00 0.34 0.00 0.00 59.36 60.82 1wwu h GLU 61 Cb 1.03 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1wwu h GLU 61 CO -0.53 -0.51 1.33 -0.07 -1.16 0.00 0.00 179.01 178.07 1wwu h LEU 62 N -0.97 0.00 -0.27 1.33 3.38 0.23 1.32 115.31 120.33 1wwu h LEU 62 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1wwu h LEU 62 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wwu h LEU 62 CO 0.13 0.00 -0.28 0.11 0.09 0.00 0.00 178.44 178.50 1wwu h LYS 63 N 0.00 0.66 -0.90 1.13 1.57 -1.16 0.51 116.57 118.38 1wwu h LYS 63 Ca 0.85 -0.35 0.19 0.00 -1.87 0.00 0.00 60.65 59.48 1wwu h LYS 63 Cb 3.51 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 35.72 1wwu h LYS 63 CO -0.01 0.96 0.45 0.87 -0.57 0.00 0.00 179.45 181.15 1wwu h LYS 64 N 0.38 0.51 0.00 3.15 6.56 0.19 1.81 116.57 129.17 1wwu h LYS 64 Ca 0.04 -0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 1wwu h LYS 64 Cb 0.84 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.37 1wwu h LYS 64 CO 0.07 0.34 -0.88 0.28 -2.06 0.00 0.00 179.45 177.19 1wwu n VAL 65 N -4.94 1.47 0.19 0.50 0.31 -1.19 -4.59 118.33 110.08 1wwu n VAL 65 Ca 0.21 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1wwu n VAL 65 Cb 0.58 -2.22 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1wwu n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wwu n GLY 67 N -0.24 0.82 0.11 0.00 0.00 0.61 -4.50 105.19 102.00 1wwu n GLY 67 Ca -0.10 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1wwu n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wwu n GLU 68 N 0.00 0.56 -0.26 1.61 4.07 -1.26 -4.37 120.64 120.98 1wwu n GLU 68 Ca 0.00 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1wwu n GLU 68 Cb 0.00 -1.69 0.13 0.00 -0.06 0.00 0.00 31.44 29.82 1wwu n GLU 68 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1wwu h GLU 69 N -1.00 0.73 -0.87 5.31 4.57 -1.96 -2.66 114.58 118.69 1wwu h GLU 69 Ca -0.37 -0.04 0.17 0.00 -1.18 0.00 0.00 59.36 57.94 1wwu h GLU 69 Cb 1.26 -0.16 -0.16 0.00 -0.16 0.00 0.00 28.75 29.53 1wwu h GLU 69 CO -0.22 0.48 -0.24 0.41 -1.18 0.00 0.00 179.01 178.26 1wwu n GLY 70 N -1.31 -1.52 0.32 1.92 0.00 -1.26 0.72 105.19 104.06 1wwu n GLY 70 Ca 0.11 0.94 0.11 0.00 0.00 0.00 0.00 46.02 47.18 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 0.17 -0.04 1.61 2.07 -1.69 0.17 116.25 118.53 1wwu h VAL 71 Ca 0.39 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.78 1wwu h VAL 71 Cb 0.61 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1wwu h VAL 71 CO -0.89 0.01 -0.40 -0.09 0.02 0.00 0.00 177.57 176.22 1wwu h ARG 72 N 0.07 0.34 -0.72 1.57 2.43 0.13 -3.20 114.38 115.00 1wwu h ARG 72 Ca 0.53 -0.32 0.15 0.00 -0.81 0.00 0.00 59.98 59.54 1wwu h ARG 72 Cb 1.05 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 1wwu h ARG 72 CO -0.80 0.98 0.21 0.28 -1.51 0.00 0.00 179.97 179.13 1wwu h VAL 73 N -0.18 0.57 -0.83 0.20 2.07 0.28 0.06 116.25 118.43 1wwu h VAL 73 Ca -0.04 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1wwu h VAL 73 Cb 1.09 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1wwu h VAL 73 CO 0.08 0.06 0.53 0.22 0.02 0.00 0.00 177.57 178.48 1wwu h TYR 74 N 0.32 1.00 -0.24 1.57 3.20 -0.85 0.19 116.97 122.17 1wwu h TYR 74 Ca 0.40 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1wwu h TYR 74 Cb 0.66 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1wwu h TYR 74 CO -0.23 0.59 0.16 1.03 -1.64 0.00 0.00 178.16 178.07 1wwu h SER 75 N 1.05 0.17 0.03 -2.11 0.87 -0.99 -2.09 113.55 110.48 1wwu h SER 75 Ca 0.32 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.74 1wwu h SER 75 Cb -0.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1wwu h SER 75 CO -0.10 0.12 -0.75 1.56 -0.53 0.00 0.00 176.83 177.13 1wwu h GLN 76 N 0.20 0.06 -0.54 2.24 1.08 -0.81 -3.31 115.11 114.02 1wwu h GLN 76 Ca 0.10 -0.10 0.11 0.00 -1.45 0.00 0.00 58.65 57.30 1wwu h GLN 76 Cb 0.16 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.52 1wwu h GLN 76 CO -0.02 1.05 -0.25 -0.07 -0.95 0.00 0.00 178.83 178.59 1wwu h LEU 77 N -0.84 -0.88 -0.26 1.46 3.38 -0.44 -1.28 115.31 116.46 1wwu h LEU 77 Ca -0.19 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1wwu h LEU 77 Cb 1.28 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 42.43 1wwu h LEU 77 CO -0.06 -0.27 -0.24 0.00 0.09 0.00 0.00 178.44 177.96 1wwu h THR 78 N -0.12 0.38 -1.09 0.22 1.03 -1.55 0.35 112.91 112.13 1wwu h THR 78 Ca 0.24 0.00 0.32 0.00 -0.01 0.00 0.00 66.41 66.96 1wwu h THR 78 Cb 0.51 0.38 -0.12 0.00 -1.07 0.00 0.00 68.15 67.85 1wwu h THR 78 CO -0.62 0.00 0.67 0.24 -0.01 0.00 0.00 175.52 175.81 1wwu h MET 79 N -0.24 0.32 0.01 0.00 2.86 -1.33 0.25 114.93 116.80 1wwu h MET 79 Ca 0.14 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1wwu h MET 79 Cb 0.46 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1wwu h MET 79 CO -0.40 0.21 -0.25 0.37 1.06 0.00 0.00 176.91 177.91 1wwu h GLN 80 N 0.33 0.16 0.02 1.72 5.75 -0.68 -2.92 115.11 119.49 1wwu h GLN 80 Ca 0.69 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 59.04 1wwu h GLN 80 Cb 1.75 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.32 1wwu h GLN 80 CO -0.43 0.93 -0.17 0.87 -2.65 0.00 0.00 178.83 177.38 1wwu h LYS 81 N -0.55 -0.28 -0.30 1.69 1.57 0.98 -0.25 116.57 119.43 1wwu h LYS 81 Ca -0.03 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1wwu h LYS 81 Cb 1.03 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1wwu h LYS 81 CO 0.05 -0.19 0.21 0.00 -0.57 0.00 0.00 179.45 178.95 1wwu h ALA 82 N 0.61 2.06 -0.07 3.86 0.00 -0.73 -2.07 119.26 122.91 1wwu h ALA 82 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1wwu h ALA 82 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wwu h ALA 82 CO -0.15 -0.12 -0.10 0.35 0.00 0.00 0.00 179.25 179.23 1wwu h PHE 83 N 0.17 0.24 -0.87 0.00 3.57 -1.06 -3.22 116.94 115.78 1wwu h PHE 83 Ca 0.13 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1wwu h PHE 83 Cb 0.31 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1wwu h PHE 83 CO -0.00 0.67 0.55 -0.07 -2.23 0.00 0.00 178.31 177.23 1wwu h LEU 84 N -0.25 0.87 -1.03 0.59 3.38 -0.51 -1.82 115.31 116.54 1wwu h LEU 84 Ca 0.01 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.28 1wwu h LEU 84 Cb 0.65 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1wwu h LEU 84 CO 0.02 0.56 0.59 -0.33 0.09 0.00 0.00 178.44 179.38 1wwu h GLU 85 N 1.01 0.43 -0.02 1.13 5.08 -1.40 0.95 114.58 121.76 1wwu h GLU 85 Ca 0.38 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1wwu h GLU 85 Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1wwu h GLU 85 CO -0.17 0.29 -0.35 0.87 -1.00 0.00 0.00 179.01 178.65 1wwu h LYS 86 N 0.45 0.03 -1.08 2.33 1.57 -1.41 -2.66 116.57 115.80 1wwu h LYS 86 Ca 0.69 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.32 1wwu h LYS 86 Cb 1.47 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.71 1wwu h LYS 86 CO -0.52 0.38 0.17 1.04 -0.57 0.00 0.00 179.45 179.94 1wwu n GLN 87 N -4.12 1.32 -3.31 3.15 3.00 0.33 -4.66 117.38 113.09 1wwu n GLN 87 Ca -0.02 -0.75 0.03 0.00 -0.01 0.00 0.00 57.00 56.25 1wwu n GLN 87 Cb 0.39 -1.29 -0.03 0.00 0.00 0.00 0.00 30.24 29.31 1wwu n GLN 87 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1wwu s GLN 88 N -0.83 0.33 -0.86 -1.09 -2.07 -1.00 -5.06 119.66 109.09 1wwu s GLN 88 Ca 0.14 0.72 -0.09 0.00 -1.82 0.00 0.00 55.36 54.31 1wwu s GLN 88 Cb 0.12 0.42 0.22 0.00 -1.09 0.00 0.00 33.01 32.68 1wwu s GLN 88 CO 0.02 -0.22 0.78 -1.12 -1.32 0.00 0.00 175.29 173.43 1wwu s SER 89 N 2.70 6.49 -0.43 12.60 0.01 -1.26 -4.88 113.70 128.93 1wwu s SER 89 Ca 0.01 -3.03 0.09 0.00 1.31 0.00 0.00 55.95 54.33 1wwu s SER 89 Cb -0.09 -2.11 0.29 0.00 0.21 0.00 0.00 66.02 64.32 1wwu s SER 89 CO -0.16 -0.43 0.65 0.61 0.41 0.00 0.00 173.24 174.32 1wwu n GLY 90 N 3.43 3.58 2.89 3.44 0.00 -1.26 -5.08 105.19 112.18 1wwu n GLY 90 Ca 0.16 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1wwu n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwu s SER 91 N -1.94 0.42 0.32 1.61 1.04 -1.26 -5.16 113.70 108.72 1wwu s SER 91 Ca 0.38 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.81 1wwu s SER 91 Cb 0.24 -0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 1wwu s SER 91 CO -0.09 -0.01 0.03 -1.61 0.98 0.00 0.00 173.24 172.54 1wwu s GLU 92 N 0.34 1.63 0.13 4.02 0.41 -1.26 -5.16 118.70 118.81 1wwu s GLU 92 Ca -0.03 -1.89 0.07 0.00 -0.41 0.00 0.00 54.97 52.70 1wwu s GLU 92 Cb -0.06 -0.93 -0.04 0.00 -1.78 0.00 0.00 34.13 31.32 1wwu s GLU 92 CO -0.01 -0.14 -0.04 -0.48 -0.49 0.00 0.00 175.26 174.11 1wwu s LEU 93 N -3.48 3.26 -0.24 1.80 2.34 -1.26 -5.12 118.68 115.98 1wwu s LEU 93 Ca 0.35 -0.33 -0.08 0.00 0.06 0.00 0.00 54.13 54.13 1wwu s LEU 93 Cb 0.08 -1.98 0.11 0.00 -0.56 0.00 0.00 46.19 43.83 1wwu s LEU 93 CO 0.15 0.14 0.50 -0.94 -1.06 0.00 0.00 176.35 175.14 1wwu s SER 94 N -2.51 -0.57 0.00 1.48 1.04 -1.26 -5.15 113.70 106.73 1wwu s SER 94 Ca 0.25 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1wwu s SER 94 Cb -0.11 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.70 1wwu s SER 94 CO 0.17 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1wwu n GLY 95 N 5.41 2.96 1.47 7.32 0.00 -1.26 -5.15 105.19 115.95 1wwu n GLY 95 Ca -0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1wwu n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwu n PRO 96 N -1.61 -1.92 -1.57 1.61 -0.04 -1.26 -4.88 135.00 125.33 1wwu n PRO 96 Ca 0.00 -0.74 -0.54 0.00 -0.04 0.00 0.00 63.50 62.18 1wwu n PRO 96 Cb 0.00 -0.69 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 1wwu n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wwu n SER 97 N -3.79 1.25 -0.02 3.54 7.64 -1.26 -4.87 113.62 116.11 1wwu n SER 97 Ca 0.06 1.13 -0.09 0.00 1.01 0.00 0.00 58.87 60.98 1wwu n SER 97 Cb 0.25 -1.12 -0.14 0.00 -1.01 0.00 0.00 64.21 62.19 1wwu n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wwu n SER 98 N 2.35 0.92 0.00 6.43 7.64 -1.26 -5.27 113.62 124.43 1wwu n SER 98 Ca 0.19 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wwu n SER 98 Cb 0.16 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1wwu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64