#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwv s SER 2 N 0.00 -0.93 0.16 1.61 0.15 -1.26 -5.17 113.70 108.25 1wwv s SER 2 Ca 0.00 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.12 1wwv s SER 2 Cb 0.00 1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 66.00 1wwv s SER 2 CO 0.00 -0.23 -0.04 -0.55 1.20 0.00 0.00 173.24 173.62 1wwv s SER 3 N 2.27 1.43 0.00 5.45 0.15 -1.26 -5.09 113.70 116.65 1wwv s SER 3 Ca -0.07 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wwv s SER 3 Cb -0.09 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1wwv s SER 3 CO -0.18 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1wwv n GLY 4 N -0.21 1.22 3.50 9.45 0.00 -1.26 -4.83 105.19 113.06 1wwv n GLY 4 Ca -0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1wwv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wwv n SER 5 N -1.09 -3.19 -4.72 1.61 7.64 -1.26 -4.82 113.62 107.80 1wwv n SER 5 Ca 0.00 -0.61 -0.62 0.00 1.01 0.00 0.00 58.87 58.65 1wwv n SER 5 Cb 0.00 -5.04 -0.08 0.00 -1.01 0.00 0.00 64.21 58.08 1wwv n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wwv n SER 6 N -3.09 1.79 0.00 6.43 7.64 -1.26 -4.28 113.62 120.85 1wwv n SER 6 Ca -0.21 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1wwv n SER 6 Cb 0.64 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1wwv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwv n GLY 7 N 3.97 -0.15 3.64 0.23 0.00 -1.26 -5.12 105.19 106.51 1wwv n GLY 7 Ca 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wwv s MET 8 N 0.00 0.25 0.08 1.61 1.75 -1.26 -5.16 119.30 116.57 1wwv s MET 8 Ca 0.00 0.31 -0.21 0.00 -1.25 0.00 0.00 55.69 54.54 1wwv s MET 8 Cb 0.00 0.12 -0.07 0.00 2.84 0.00 0.00 34.83 37.72 1wwv s MET 8 CO 0.00 -0.03 0.63 -2.00 -0.65 0.00 0.00 175.02 172.97 1wwv s GLU 9 N 0.21 4.32 0.17 4.11 2.56 -1.26 -5.04 118.70 123.77 1wwv s GLU 9 Ca 0.04 0.86 -0.30 0.00 0.00 0.00 0.00 54.97 55.57 1wwv s GLU 9 Cb -0.05 -3.26 -0.08 0.00 2.00 0.00 0.00 34.13 32.73 1wwv s GLU 9 CO -0.12 0.57 1.32 -1.25 -0.56 0.00 0.00 175.26 175.22 1wwv s PRO 10 N -0.94 4.38 0.35 4.30 0.04 -1.26 -4.87 135.00 136.99 1wwv s PRO 10 Ca 0.31 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.47 1wwv s PRO 10 Cb -0.20 -3.22 0.67 0.00 0.04 0.00 0.00 34.50 31.79 1wwv s PRO 10 CO 0.21 -0.30 1.85 0.28 0.04 0.00 0.00 177.00 179.08 1wwv h VAL 11 N 3.92 1.22 0.00 -0.36 2.07 -1.91 -2.22 116.25 118.96 1wwv h VAL 11 Ca -0.44 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1wwv h VAL 11 Cb 1.21 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1wwv h VAL 11 CO 0.80 0.31 0.17 1.05 0.02 0.00 0.00 177.57 179.92 1wwv h GLU 12 N 0.25 0.00 0.00 1.57 4.11 -1.90 0.53 114.58 119.15 1wwv h GLU 12 Ca 0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.38 1wwv h GLU 12 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1wwv h GLU 12 CO 0.03 0.00 -1.64 0.25 0.07 0.00 0.00 179.01 177.72 1wwv n THR 13 N -2.19 0.37 -1.25 -1.06 -2.24 -0.86 -1.12 114.28 105.94 1wwv n THR 13 Ca -0.01 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1wwv n THR 13 Cb 0.20 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1wwv n THR 13 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wwv n TRP 14 N -2.15 -1.59 -2.07 4.78 7.02 0.18 -4.66 117.44 118.95 1wwv n TRP 14 Ca -0.10 0.67 -0.33 0.00 -1.02 0.00 0.00 57.50 56.73 1wwv n TRP 14 Cb 0.58 -1.72 0.01 0.00 -2.42 0.00 0.00 31.31 27.76 1wwv n TRP 14 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1wwv s THR 15 N -1.41 3.84 -2.00 -0.99 -4.23 -1.26 -0.63 115.64 108.96 1wwv s THR 15 Ca 0.57 0.87 0.09 0.00 -1.18 0.00 0.00 61.69 62.04 1wwv s THR 15 Cb -0.67 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.02 1wwv s THR 15 CO 0.57 -0.51 0.96 -0.81 -0.54 0.00 0.00 174.62 174.30 1wwv n PRO 16 N -2.00 0.49 -0.00 3.99 -0.04 -1.26 -2.09 135.00 134.09 1wwv n PRO 16 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wwv n PRO 16 Cb 0.53 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1wwv n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wwv n GLY 17 N -0.02 -0.44 0.13 0.55 0.00 -1.26 -4.08 105.19 100.07 1wwv n GLY 17 Ca 0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1wwv n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwv n LYS 18 N -1.43 0.67 -0.47 1.61 5.02 -0.89 -4.27 118.16 118.40 1wwv n LYS 18 Ca 0.02 0.29 0.39 0.00 -2.02 0.00 0.00 58.31 56.99 1wwv n LYS 18 Cb 0.25 -1.63 0.67 0.00 -0.02 0.00 0.00 35.03 34.30 1wwv n LYS 18 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wwv h VAL 19 N -0.33 0.09 -0.80 -0.18 2.07 -1.80 0.92 116.25 116.23 1wwv h VAL 19 Ca -0.50 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1wwv h VAL 19 Cb 1.79 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1wwv h VAL 19 CO -0.10 0.01 0.49 0.00 0.02 0.00 0.00 177.57 177.99 1wwv h ALA 20 N 1.56 1.09 0.16 1.67 0.00 -1.83 0.85 119.26 122.77 1wwv h ALA 20 Ca 0.84 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.74 1wwv h ALA 20 Cb 2.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.29 1wwv h ALA 20 CO -0.39 0.22 -0.08 1.15 0.00 0.00 0.00 179.25 180.15 1wwv h THR 21 N 0.89 0.97 -0.28 0.00 2.02 0.65 -0.40 112.91 116.76 1wwv h THR 21 Ca 0.35 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1wwv h THR 21 Cb 0.16 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1wwv h THR 21 CO -0.17 0.15 0.19 -0.25 0.37 0.00 0.00 175.52 175.80 1wwv h TRP 22 N -0.52 0.26 -0.01 3.16 7.01 -1.29 -1.46 115.95 123.10 1wwv h TRP 22 Ca -0.02 0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.77 1wwv h TRP 22 Cb 0.40 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1wwv h TRP 22 CO 0.02 0.15 -0.92 -0.07 -2.79 0.00 0.00 178.44 174.84 1wwv h LEU 23 N 0.27 0.50 -1.33 0.65 3.38 -0.68 -2.81 115.31 115.29 1wwv h LEU 23 Ca 0.11 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1wwv h LEU 23 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wwv h LEU 23 CO -0.02 1.19 -0.33 -0.09 0.09 0.00 0.00 178.44 179.27 1wwv h ARG 24 N 0.22 0.00 0.00 1.13 1.12 -0.05 -2.84 114.38 113.97 1wwv h ARG 24 Ca -0.07 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.60 1wwv h ARG 24 Cb 1.55 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.48 1wwv h ARG 24 CO 0.16 0.33 -1.01 0.78 -3.11 0.00 0.00 179.97 177.12 1wwv h GLY 25 N 1.12 0.00 -0.82 2.80 0.00 -1.35 -3.36 103.07 101.46 1wwv h GLY 25 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1wwv h GLY 25 CO 0.04 0.00 -0.48 1.41 0.00 0.00 0.00 176.54 177.52 1wwv h LEU 26 N 0.00 -1.71 -7.97 3.11 3.38 -1.23 -3.45 115.31 107.44 1wwv h LEU 26 Ca -0.05 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1wwv h LEU 26 Cb 1.72 0.80 -0.04 0.00 0.09 0.00 0.00 40.66 43.23 1wwv h LEU 26 CO 0.11 -0.29 0.27 -0.62 0.09 0.00 0.00 178.44 178.00 1wwv s ASP 27 N -5.33 -0.20 0.15 -0.43 2.15 -1.26 -5.05 116.67 106.71 1wwv s ASP 27 Ca -0.13 -0.69 0.17 0.00 0.43 0.00 0.00 52.55 52.33 1wwv s ASP 27 Cb 0.15 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.44 1wwv s ASP 27 CO 0.66 -1.36 1.06 -2.24 -0.17 0.00 0.00 175.17 173.12 1wwv h ASP 28 N 2.00 0.00 0.89 -0.34 3.04 -1.87 -2.74 116.42 117.40 1wwv h ASP 28 Ca -0.22 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 1wwv h ASP 28 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1wwv h ASP 28 CO 0.27 0.48 0.00 -0.24 -2.04 0.00 0.00 179.24 177.71 1wwv n SER 29 N -2.98 0.51 -0.07 4.15 2.88 -1.26 -3.30 113.62 113.56 1wwv n SER 29 Ca -0.05 0.60 -0.08 0.00 -1.33 0.00 0.00 58.87 58.01 1wwv n SER 29 Cb 0.77 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 1wwv n SER 29 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wwv n LEU 30 N -2.03 1.42 0.27 2.46 4.77 -1.24 -4.47 117.00 118.18 1wwv n LEU 30 Ca 0.04 -0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1wwv n LEU 30 Cb 0.28 -0.10 0.42 0.00 -2.33 0.00 0.00 43.42 41.68 1wwv n LEU 30 CO 0.22 0.52 1.08 0.06 -1.33 0.00 0.00 177.39 177.95 1wwv h GLN 31 N 0.00 0.00 -0.20 3.23 3.07 -1.47 0.54 115.11 120.27 1wwv h GLN 31 Ca -0.34 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.30 1wwv h GLN 31 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.22 1wwv h GLN 31 CO -0.02 0.00 -0.24 -0.44 0.09 0.00 0.00 178.83 178.22 1wwv h ASP 32 N 0.00 0.56 -2.62 0.06 3.32 -1.78 -3.45 116.42 112.51 1wwv h ASP 32 Ca 0.05 -0.49 -0.60 0.00 0.02 0.00 0.00 57.03 56.01 1wwv h ASP 32 Cb 1.48 -0.16 0.11 0.00 0.22 0.00 0.00 39.33 40.98 1wwv h ASP 32 CO -0.00 0.94 0.26 -1.22 -1.72 0.00 0.00 179.24 177.50 1wwv n TYR 33 N -4.40 1.55 -2.06 4.55 4.02 0.19 -4.80 117.16 116.21 1wwv n TYR 33 Ca -0.05 0.65 -0.28 0.00 -0.01 0.00 0.00 57.90 58.21 1wwv n TYR 33 Cb 0.43 -2.30 -0.06 0.00 -0.02 0.00 0.00 39.34 37.39 1wwv n TYR 33 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1wwv s PRO 34 N -1.44 2.52 0.28 -0.72 0.04 -1.26 -4.73 135.00 129.69 1wwv s PRO 34 Ca 0.60 -0.92 0.09 0.00 0.04 0.00 0.00 61.00 60.81 1wwv s PRO 34 Cb -0.68 -5.19 0.40 0.00 0.04 0.00 0.00 34.50 29.06 1wwv s PRO 34 CO 0.59 -3.80 1.64 0.74 0.04 0.00 0.00 177.00 176.21 1wwv h PHE 35 N 10.17 0.09 0.00 0.56 0.04 -1.90 -2.58 116.94 123.33 1wwv h PHE 35 Ca 0.18 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1wwv h PHE 35 Cb 0.96 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1wwv h PHE 35 CO 1.21 0.62 0.00 0.39 -0.60 0.00 0.00 178.31 179.93 1wwv n GLU 36 N -3.88 0.02 -0.04 1.51 1.02 -1.26 -2.33 120.64 115.68 1wwv n GLU 36 Ca -0.02 0.21 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1wwv n GLU 36 Cb 0.57 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.33 1wwv n GLU 36 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wwv n ASP 37 N -1.48 0.03 -0.10 1.62 9.92 -0.98 -4.42 116.55 121.14 1wwv n ASP 37 Ca 0.04 0.01 -0.09 0.00 -0.53 0.00 0.00 54.79 54.22 1wwv n ASP 37 Cb 0.19 1.62 -0.02 0.00 -0.64 0.00 0.00 41.12 42.27 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1wwv h TRP 38 N 0.00 0.43 -5.83 1.24 4.06 -1.32 -3.46 115.95 111.08 1wwv h TRP 38 Ca -0.18 -0.01 -0.44 0.00 2.06 0.00 0.00 58.89 60.31 1wwv h TRP 38 Cb 1.42 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 29.41 1wwv h TRP 38 CO 0.00 0.36 -0.68 1.04 -3.56 0.00 0.00 178.44 175.59 1wwv n GLN 39 N -4.80 -4.95 -3.23 0.49 6.02 -1.24 -4.93 117.38 104.74 1wwv n GLN 39 Ca -0.01 0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 57.19 1wwv n GLN 39 Cb 0.08 -5.46 -0.07 0.00 1.02 0.00 0.00 30.24 25.81 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwv s LEU 40 N -7.01 4.10 0.52 1.08 2.96 -1.26 -4.87 118.68 114.21 1wwv s LEU 40 Ca 0.55 0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 54.87 1wwv s LEU 40 Cb -0.28 -2.70 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 1wwv s LEU 40 CO 0.68 -0.24 1.14 -2.16 -1.32 0.00 0.00 176.35 174.45 1wwv s PRO 41 N 1.98 3.47 0.30 0.98 0.04 -1.26 -4.15 135.00 136.35 1wwv s PRO 41 Ca 0.23 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1wwv s PRO 41 Cb -0.15 -2.11 0.75 0.00 0.04 0.00 0.00 34.50 33.02 1wwv s PRO 41 CO 0.09 -0.77 1.73 0.78 0.04 0.00 0.00 177.00 178.88 1wwv h GLY 42 N 1.43 1.67 -0.56 0.56 0.00 -1.03 -0.51 103.07 104.63 1wwv h GLY 42 Ca -0.50 -0.26 0.22 0.00 0.00 0.00 0.00 47.33 46.78 1wwv h GLY 42 CO 0.58 -0.18 0.06 0.07 0.00 0.00 0.00 176.54 177.07 1wwv h LYS 43 N 0.56 0.10 0.05 4.80 2.10 -1.19 0.28 116.57 123.27 1wwv h LYS 43 Ca 0.57 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.98 1wwv h LYS 43 Cb 1.02 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 1wwv h LYS 43 CO -0.46 0.07 -1.10 -0.91 -2.00 0.00 0.00 179.45 175.05 1wwv h ASN 44 N 0.10 0.15 -0.89 7.07 4.21 -1.41 -3.23 115.58 121.58 1wwv h ASN 44 Ca 0.50 -0.16 0.24 0.00 1.21 0.00 0.00 56.30 58.09 1wwv h ASN 44 Cb 0.96 -0.05 -0.14 0.00 -1.12 0.00 0.00 38.32 37.97 1wwv h ASN 44 CO -0.74 1.13 0.25 0.25 -1.29 0.00 0.00 177.43 177.03 1wwv h LEU 45 N 0.03 0.02 0.00 1.61 5.85 0.50 1.24 115.31 124.56 1wwv h LEU 45 Ca -0.06 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1wwv h LEU 45 Cb 1.85 0.26 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1wwv h LEU 45 CO 0.15 -0.16 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.70 1wwv h LEU 46 N 0.21 0.00 -2.87 2.25 3.38 -1.57 -3.21 115.31 113.51 1wwv h LEU 46 Ca 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1wwv h LEU 46 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wwv h LEU 46 CO -0.66 0.01 0.00 0.00 0.09 0.00 0.00 178.44 177.89 1wwv n GLN 47 N -2.72 3.02 -0.80 1.13 6.02 0.31 -4.99 117.38 119.35 1wwv n GLN 47 Ca 0.03 -2.71 -0.29 0.00 -0.01 0.00 0.00 57.00 54.02 1wwv n GLN 47 Cb 0.51 -1.65 0.24 0.00 1.02 0.00 0.00 30.24 30.35 1wwv n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wwv s LEU 48 N -1.24 0.66 0.16 1.08 1.43 0.35 -4.98 118.68 116.13 1wwv s LEU 48 Ca 0.49 1.13 -0.21 0.00 -1.03 0.00 0.00 54.13 54.51 1wwv s LEU 48 Cb 0.27 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.55 1wwv s LEU 48 CO 0.30 -4.10 0.55 0.00 0.23 0.00 0.00 176.35 173.34 1wwv n PRO 50 N -0.34 0.16 0.00 0.00 -0.04 -1.26 -1.60 135.00 131.93 1wwv n PRO 50 Ca -0.16 0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1wwv n PRO 50 Cb 0.64 -1.81 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1wwv n PRO 50 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wwv h GLN 51 N 0.00 0.04 0.06 0.54 -0.00 -1.95 -3.37 115.11 110.43 1wwv h GLN 51 Ca 0.00 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.65 58.39 1wwv h GLN 51 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1wwv h GLN 51 CO 0.00 0.69 -1.01 1.03 0.00 0.00 0.00 178.83 179.54 1wwv h SER 52 N 0.01 0.20 -1.08 -0.69 0.87 -1.90 -3.35 113.55 107.61 1wwv h SER 52 Ca -0.23 -0.80 0.41 0.00 -1.23 0.00 0.00 61.79 59.93 1wwv h SER 52 Cb 1.96 -0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 63.70 1wwv h SER 52 CO 0.10 1.43 0.62 -0.07 -0.53 0.00 0.00 176.83 178.38 1wwv h LEU 53 N -0.65 0.34 -0.82 2.23 3.38 -1.48 0.79 115.31 119.10 1wwv h LEU 53 Ca -0.24 0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1wwv h LEU 53 Cb 1.46 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1wwv h LEU 53 CO -0.02 -0.32 0.37 -0.33 0.09 0.00 0.00 178.44 178.23 1wwv h GLU 54 N 0.08 0.49 -0.72 1.13 5.08 -1.60 0.19 114.58 119.24 1wwv h GLU 54 Ca 0.82 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 59.30 1wwv h GLU 54 Cb 2.22 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 31.32 1wwv h GLU 54 CO -0.66 0.32 0.48 0.00 -1.00 0.00 0.00 179.01 178.16 1wwv h ALA 55 N 1.58 2.13 -0.31 3.43 0.00 0.40 0.15 119.26 126.65 1wwv h ALA 55 Ca 0.46 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1wwv h ALA 55 Cb 0.71 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1wwv h ALA 55 CO -0.41 -0.33 0.17 1.28 0.00 0.00 0.00 179.25 179.97 1wwv n LEU 56 N -4.47 3.90 -2.52 0.00 4.77 0.62 -4.80 117.00 114.50 1wwv n LEU 56 Ca 0.13 -2.01 -0.17 0.00 -0.03 0.00 0.00 56.01 53.93 1wwv n LEU 56 Cb 0.52 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1wwv n LEU 56 CO 0.33 0.62 0.06 0.00 -1.33 0.00 0.00 177.39 177.07 1wwv n ALA 57 N 0.00 -0.82 -3.74 -1.18 0.00 0.51 -4.98 120.51 110.30 1wwv n ALA 57 Ca 0.18 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.59 1wwv n ALA 57 Cb 0.83 -3.51 -0.12 0.00 0.00 0.00 0.00 19.45 16.65 1wwv n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wwv s VAL 58 N -3.10 1.94 -0.25 0.00 1.01 -0.96 -4.90 120.40 114.14 1wwv s VAL 58 Ca 0.30 -3.50 -0.02 0.00 0.00 0.00 0.00 61.98 58.76 1wwv s VAL 58 Cb -0.13 -2.30 -0.15 0.00 0.00 0.00 0.00 36.38 33.80 1wwv s VAL 58 CO 0.37 -1.04 -0.26 0.54 0.00 0.00 0.00 175.10 174.72 1wwv n ARG 59 N 2.53 0.60 -1.73 2.72 1.74 -1.26 -2.33 116.66 118.94 1wwv n ARG 59 Ca 0.20 0.17 -0.63 0.00 -0.77 0.00 0.00 57.85 56.82 1wwv n ARG 59 Cb 0.38 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1wwv n ARG 59 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wwv n SER 60 N -3.50 1.72 -0.06 0.55 2.88 -1.26 -4.83 113.62 109.12 1wwv n SER 60 Ca -0.46 1.14 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 1wwv n SER 60 Cb 0.94 -0.99 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1wwv h LEU 61 N 5.97 0.03 -0.49 2.46 7.12 -2.00 -2.44 115.31 125.96 1wwv h LEU 61 Ca -0.45 0.04 0.10 0.00 0.13 0.00 0.00 57.88 57.69 1wwv h LEU 61 Cb 1.35 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 41.42 1wwv h LEU 61 CO 0.97 0.05 -0.27 1.23 -0.13 0.00 0.00 178.44 180.29 1wwv h GLY 62 N 0.15 -0.02 0.77 3.75 0.00 -2.00 0.80 103.07 106.53 1wwv h GLY 62 Ca 0.11 0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.85 1wwv h GLY 62 CO -0.14 -0.21 0.61 0.45 0.00 0.00 0.00 176.54 177.24 1wwv h HIS 63 N -0.16 1.13 -0.02 5.60 3.86 -1.88 -2.37 115.15 121.31 1wwv h HIS 63 Ca 0.22 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1wwv h HIS 63 Cb 0.51 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1wwv h HIS 63 CO -0.54 0.60 0.01 1.96 0.86 0.00 0.00 177.93 180.82 1wwv h GLN 64 N 1.12 0.03 -0.99 2.45 4.20 -0.52 -2.72 115.11 118.69 1wwv h GLN 64 Ca 0.40 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.25 1wwv h GLN 64 Cb 0.12 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 1wwv h GLN 64 CO -0.16 0.11 0.60 0.93 -0.67 0.00 0.00 178.83 179.65 1wwv h GLU 65 N -0.06 0.85 -0.28 1.46 5.08 -0.51 0.21 114.58 121.33 1wwv h GLU 65 Ca 0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wwv h GLU 65 Cb 0.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1wwv h GLU 65 CO -0.00 0.56 0.08 -0.07 -1.00 0.00 0.00 179.01 178.58 1wwv h LEU 66 N 0.87 0.06 0.02 1.33 3.38 -1.13 -0.86 115.31 118.98 1wwv h LEU 66 Ca 0.52 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 1wwv h LEU 66 Cb 0.65 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wwv h LEU 66 CO -0.32 0.07 -0.01 0.40 0.09 0.00 0.00 178.44 178.67 1wwv h ILE 67 N 0.19 0.00 -0.82 1.22 2.04 -1.07 -3.23 117.51 115.85 1wwv h ILE 67 Ca 0.12 -0.05 0.31 0.00 1.00 0.00 0.00 64.86 66.25 1wwv h ILE 67 Cb 0.11 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.04 1wwv h ILE 67 CO -0.15 0.00 0.32 0.18 0.00 0.00 0.00 178.15 178.50 1wwv n LEU 68 N -2.18 0.18 0.03 1.44 4.77 0.63 0.89 117.00 122.77 1wwv n LEU 68 Ca -0.00 1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 57.24 1wwv n LEU 68 Cb 0.01 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1wwv n LEU 68 CO 0.01 -1.49 0.79 1.23 -1.33 0.00 0.00 177.39 176.60 1wwv h GLY 69 N 0.00 -0.10 1.05 -0.72 0.00 -1.25 -1.60 103.07 100.44 1wwv h GLY 69 Ca 0.64 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 1wwv h GLY 69 CO -0.67 -0.12 0.37 -1.33 0.00 0.00 0.00 176.54 174.79 1wwv h GLY 70 N -0.18 1.31 0.97 4.60 0.00 0.49 -2.73 103.07 107.53 1wwv h GLY 70 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.73 1wwv h GLY 70 CO -0.14 0.64 0.66 -2.08 0.00 0.00 0.00 176.54 175.62 1wwv h VAL 71 N 1.20 1.22 -1.00 4.60 2.07 -1.02 -2.12 116.25 121.20 1wwv h VAL 71 Ca 0.28 -0.45 0.21 0.00 0.82 0.00 0.00 66.70 67.57 1wwv h VAL 71 Cb 0.17 -0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 29.62 1wwv h VAL 71 CO -0.03 0.24 0.61 -0.33 0.02 0.00 0.00 177.57 178.08 1wwv h GLU 72 N 1.31 0.67 -0.26 1.57 5.08 -0.97 0.58 114.58 122.55 1wwv h GLU 72 Ca 0.38 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1wwv h GLU 72 Cb -0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1wwv h GLU 72 CO -0.10 0.44 -0.43 1.96 -1.00 0.00 0.00 179.01 179.88 1wwv h GLN 73 N 0.69 0.76 0.55 2.33 1.08 -1.45 -3.30 115.11 115.77 1wwv h GLN 73 Ca 0.60 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1wwv h GLN 73 Cb 1.04 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1wwv h GLN 73 CO -0.41 1.09 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.22 1wwv h LEU 74 N 0.50 -0.62 -1.72 1.46 3.38 -0.76 -2.33 115.31 115.22 1wwv h LEU 74 Ca 0.02 0.02 0.53 0.00 0.09 0.00 0.00 57.88 58.54 1wwv h LEU 74 Cb 1.03 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 1wwv h LEU 74 CO 0.10 -0.44 1.19 0.00 0.09 0.00 0.00 178.44 179.37 1wwv n GLN 75 N -5.41 -0.02 0.00 1.13 6.02 -0.11 -0.44 117.38 118.55 1wwv n GLN 75 Ca -0.12 1.15 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 1wwv n GLN 75 Cb 0.31 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.08 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwv n ALA 76 N -2.75 -0.13 -0.28 -1.58 0.00 -0.89 -2.31 120.51 112.57 1wwv n ALA 76 Ca 0.43 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1wwv n ALA 76 Cb 1.82 0.00 0.18 0.00 0.00 0.00 0.00 19.45 21.45 1wwv n ALA 76 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1wwv h LEU 77 N 0.00 -0.41 0.39 0.00 8.10 -1.04 -1.88 115.31 120.47 1wwv h LEU 77 Ca 0.00 0.22 -0.01 0.00 0.11 0.00 0.00 57.88 58.19 1wwv h LEU 77 Cb 0.00 0.39 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 1wwv h LEU 77 CO 0.00 -0.22 -0.33 -1.28 -4.11 0.00 0.00 178.44 172.50 1wwv h SER 78 N 0.08 -0.88 -2.98 0.17 0.87 -0.90 -3.36 113.55 106.55 1wwv h SER 78 Ca 0.45 0.06 -0.72 0.00 -1.23 0.00 0.00 61.79 60.36 1wwv h SER 78 Cb 0.82 0.28 -0.21 0.00 -0.44 0.00 0.00 62.40 62.85 1wwv h SER 78 CO -0.74 -0.46 0.02 -0.44 -0.53 0.00 0.00 176.83 174.68 1wwv s SER 79 N -3.55 6.19 0.77 6.23 0.01 -0.71 -4.76 113.70 117.89 1wwv s SER 79 Ca -0.12 -1.48 -0.11 0.00 1.31 0.00 0.00 55.95 55.55 1wwv s SER 79 Cb 0.02 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 64.04 1wwv s SER 79 CO 0.39 -1.02 1.08 -0.13 0.41 0.00 0.00 173.24 173.97 1wwv s ARG 80 N 2.39 2.26 -0.01 12.44 0.52 -1.23 -4.60 118.95 130.72 1wwv s ARG 80 Ca 0.09 1.02 0.06 0.00 -0.52 0.00 0.00 55.73 56.38 1wwv s ARG 80 Cb -0.25 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 1wwv s ARG 80 CO 0.06 -1.60 -0.18 -0.51 0.02 0.00 0.00 175.30 173.09 1wwv s LEU 81 N -5.87 2.05 -0.18 2.53 1.43 -1.26 -5.06 118.68 112.32 1wwv s LEU 81 Ca 0.61 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 1wwv s LEU 81 Cb -0.16 -0.92 -0.16 0.00 0.03 0.00 0.00 46.19 44.98 1wwv s LEU 81 CO 0.56 0.21 0.21 1.56 0.23 0.00 0.00 176.35 179.11 1wwv h GLN 82 N 5.61 0.00 -4.50 1.70 7.50 -2.05 -3.45 115.11 119.92 1wwv h GLN 82 Ca -0.38 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.16 1wwv h GLN 82 Cb 1.15 0.00 -0.37 0.00 0.05 0.00 0.00 27.48 28.31 1wwv h GLN 82 CO 0.48 0.77 -0.80 0.95 -1.50 0.00 0.00 178.83 178.73 1wwv s THR 83 N -2.28 1.62 1.06 -0.54 -4.23 -1.26 -5.12 115.64 104.88 1wwv s THR 83 Ca -0.24 -1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 59.00 1wwv s THR 83 Cb 0.04 -1.78 0.14 0.00 1.34 0.00 0.00 72.50 72.23 1wwv s THR 83 CO 0.51 0.04 0.53 -0.62 -0.54 0.00 0.00 174.62 174.55 1wwv n GLU 84 N 4.66 -1.28 -1.68 3.99 1.02 -1.26 -4.80 120.64 121.30 1wwv n GLU 84 Ca -0.13 -0.34 -0.47 0.00 -0.02 0.00 0.00 57.16 56.19 1wwv n GLU 84 Cb 0.45 -1.96 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 1wwv n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wwv n ASN 85 N -2.77 3.56 -4.82 1.62 4.13 -1.26 -4.95 115.26 110.77 1wwv n ASN 85 Ca 0.05 0.95 -0.31 0.00 1.68 0.00 0.00 54.58 56.95 1wwv n ASN 85 Cb 0.56 -1.40 0.06 0.00 -1.54 0.00 0.00 39.78 37.47 1wwv n ASN 85 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1wwv s SER 86 N 4.24 5.18 0.00 6.41 0.01 -1.26 -5.02 113.70 123.26 1wwv s SER 86 Ca 0.93 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1wwv s SER 86 Cb -0.65 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1wwv s SER 86 CO 0.50 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 173.21 1wwv n GLY 87 N -2.15 3.59 3.43 3.44 0.00 -1.26 -5.14 105.19 107.10 1wwv n GLY 87 Ca 0.07 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1wwv n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwv n PRO 88 N -1.83 -3.12 -4.35 1.61 -0.04 -1.26 -5.08 135.00 120.94 1wwv n PRO 88 Ca 0.00 -1.71 -0.25 0.00 -0.04 0.00 0.00 63.50 61.49 1wwv n PRO 88 Cb 0.00 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.76 1wwv n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wwv s SER 89 N -4.39 4.06 0.10 3.54 1.04 -1.26 -5.05 113.70 111.75 1wwv s SER 89 Ca 0.70 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1wwv s SER 89 Cb -0.07 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.46 1wwv s SER 89 CO 0.53 0.07 0.00 -0.24 0.98 0.00 0.00 173.24 174.58 1wwv n SER 90 N -0.30 0.11 0.00 7.02 2.88 -1.26 -5.36 113.62 116.71 1wwv n SER 90 Ca -0.09 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wwv n SER 90 Cb 0.57 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42