#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwv n SER 2 N 0.00 -2.95 -4.69 1.61 7.64 -1.26 -4.97 113.62 109.00 1wwv n SER 2 Ca 0.00 -0.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.77 1wwv n SER 2 Cb 0.00 -3.82 -0.08 0.00 -1.01 0.00 0.00 64.21 59.30 1wwv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwv s SER 3 N -3.81 4.96 0.00 6.43 0.15 -1.26 -5.13 113.70 115.05 1wwv s SER 3 Ca 0.36 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wwv s SER 3 Cb -0.18 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1wwv s SER 3 CO 0.83 0.14 0.00 0.61 1.20 0.00 0.00 173.24 176.02 1wwv n GLY 4 N 0.26 4.62 3.74 9.45 0.00 -1.26 -5.12 105.19 116.87 1wwv n GLY 4 Ca -0.10 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.50 2.40 0.07 1.61 7.64 -1.26 -4.94 113.62 117.63 1wwv n SER 5 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1wwv n SER 5 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 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 -1.46 0.21 0.00 6.43 7.64 -1.26 -4.88 113.62 120.30 1wwv n SER 6 Ca 0.13 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1wwv n SER 6 Cb 0.46 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 2.22 -0.87 3.06 0.23 0.00 -1.26 -4.76 105.19 103.81 1wwv n GLY 7 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.49 2.25 0.67 1.61 -2.45 -1.26 -5.12 119.30 114.51 1wwv s MET 8 Ca 0.00 -0.57 -0.17 0.00 -1.25 0.00 0.00 55.69 53.70 1wwv s MET 8 Cb 0.00 -1.92 -0.02 0.00 1.25 0.00 0.00 34.83 34.15 1wwv s MET 8 CO 0.00 -0.07 0.99 -0.85 1.05 0.00 0.00 175.02 176.14 1wwv n GLU 9 N 4.22 0.69 -2.18 4.11 0.28 -1.26 -4.95 120.64 121.56 1wwv n GLU 9 Ca -0.19 0.29 -0.35 0.00 -0.16 0.00 0.00 57.16 56.75 1wwv n GLU 9 Cb 0.51 -2.22 0.01 0.00 1.43 0.00 0.00 31.44 31.17 1wwv n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wwv s PRO 10 N -3.12 3.27 0.22 3.44 0.04 -1.26 -4.94 135.00 132.64 1wwv s PRO 10 Ca 0.75 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1wwv s PRO 10 Cb -0.37 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.35 1wwv s PRO 10 CO 0.48 -0.91 1.53 0.28 0.04 0.00 0.00 177.00 178.42 1wwv h VAL 11 N 1.01 1.37 0.00 -0.36 2.07 -1.91 -2.81 116.25 115.62 1wwv h VAL 11 Ca -0.49 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1wwv h VAL 11 Cb 1.26 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1wwv h VAL 11 CO 0.56 0.59 0.09 -1.84 0.02 0.00 0.00 177.57 176.99 1wwv n GLU 12 N -3.89 0.07 -0.04 1.57 0.28 -1.26 -0.87 120.64 116.50 1wwv n GLU 12 Ca -0.03 0.54 -0.01 0.00 -0.16 0.00 0.00 57.16 57.49 1wwv n GLU 12 Cb 0.63 -1.82 -0.09 0.00 1.43 0.00 0.00 31.44 31.59 1wwv n GLU 12 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wwv n THR 13 N -1.87 0.48 -1.17 3.84 -2.24 -1.09 -2.26 114.28 109.97 1wwv n THR 13 Ca -0.01 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 61.00 1wwv n THR 13 Cb 0.11 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.23 -3.27 -2.77 4.78 7.02 -0.05 -4.75 117.44 116.17 1wwv n TRP 14 Ca -0.12 0.29 -0.28 0.00 -1.02 0.00 0.00 57.50 56.36 1wwv n TRP 14 Cb 0.66 -1.65 -0.01 0.00 -2.42 0.00 0.00 31.31 27.89 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 -1.99 4.89 -2.00 -0.99 -4.23 -1.26 -1.75 115.64 108.31 1wwv s THR 15 Ca 0.53 0.28 0.10 0.00 -1.18 0.00 0.00 61.69 61.42 1wwv s THR 15 Cb -0.37 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 69.93 1wwv s THR 15 CO 0.70 -0.71 1.04 -0.81 -0.54 0.00 0.00 174.62 174.30 1wwv n PRO 16 N -1.88 0.48 -0.01 3.99 -0.04 -1.26 -2.21 135.00 134.08 1wwv n PRO 16 Ca 0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1wwv n PRO 16 Cb 0.55 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.03 -0.78 0.14 0.55 0.00 -1.26 -4.21 105.19 99.60 1wwv n GLY 17 Ca 0.08 -0.44 -0.21 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 -1.99 0.75 -0.33 1.61 5.02 -0.94 -4.19 118.16 118.10 1wwv n LYS 18 Ca -0.02 0.26 0.20 0.00 -2.02 0.00 0.00 58.31 56.73 1wwv n LYS 18 Cb 0.43 -1.71 0.42 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.07 0.31 -0.75 -0.18 2.07 -1.78 0.77 116.25 116.76 1wwv h VAL 19 Ca -0.42 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.13 1wwv h VAL 19 Cb 2.03 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1wwv h VAL 19 CO 0.09 0.06 0.50 0.00 0.02 0.00 0.00 177.57 178.23 1wwv h ALA 20 N 1.83 2.05 0.01 1.67 0.00 -1.81 0.58 119.26 123.58 1wwv h ALA 20 Ca 0.68 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.39 1wwv h ALA 20 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1wwv h ALA 20 CO -0.62 -0.24 -0.88 1.15 0.00 0.00 0.00 179.25 178.66 1wwv h THR 21 N 0.47 1.52 0.00 0.00 2.02 0.34 -1.86 112.91 115.39 1wwv h THR 21 Ca 0.37 -2.69 -0.14 0.00 0.77 0.00 0.00 66.41 64.72 1wwv h THR 21 Cb 0.77 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 1wwv h THR 21 CO -0.12 0.78 -0.77 -0.25 0.37 0.00 0.00 175.52 175.53 1wwv h TRP 22 N 0.09 0.00 0.25 3.16 7.01 -0.57 -3.04 115.95 122.84 1wwv h TRP 22 Ca -0.04 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.62 1wwv h TRP 22 Cb 1.52 0.00 0.03 0.00 -2.10 0.00 0.00 29.16 28.61 1wwv h TRP 22 CO 0.02 0.62 -1.53 -0.07 -2.79 0.00 0.00 178.44 174.69 1wwv h LEU 23 N 0.00 0.82 -1.06 0.65 3.38 0.06 -3.05 115.31 116.11 1wwv h LEU 23 Ca -0.04 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.93 1wwv h LEU 23 Cb 1.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wwv h LEU 23 CO 0.08 1.73 -0.26 0.08 0.09 0.00 0.00 178.44 180.16 1wwv h ARG 24 N 0.14 0.35 -0.03 1.13 -0.00 -1.44 -2.88 114.38 111.66 1wwv h ARG 24 Ca -0.27 -0.13 -0.16 0.00 -0.00 0.00 0.00 59.98 59.42 1wwv h ARG 24 Cb 2.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 32.10 1wwv h ARG 24 CO 0.26 0.59 -0.70 0.78 -0.00 0.00 0.00 179.97 180.90 1wwv h GLY 25 N 1.01 0.17 -0.85 0.08 0.00 -1.62 -3.27 103.07 98.60 1wwv h GLY 25 Ca 0.05 -0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.37 1wwv h GLY 25 CO 0.05 0.22 -0.03 1.41 0.00 0.00 0.00 176.54 178.19 1wwv h LEU 26 N 0.11 -0.53 -7.00 3.11 3.38 -1.38 -3.44 115.31 109.55 1wwv h LEU 26 Ca -0.02 0.27 0.22 0.00 0.09 0.00 0.00 57.88 58.44 1wwv h LEU 26 Cb 1.25 0.48 -0.19 0.00 0.09 0.00 0.00 40.66 42.29 1wwv h LEU 26 CO 0.10 -0.31 0.75 -1.81 0.09 0.00 0.00 178.44 177.26 1wwv s ASP 27 N -5.09 -0.18 0.14 -0.43 1.01 -1.23 -5.04 116.67 105.83 1wwv s ASP 27 Ca -0.13 0.03 -0.09 0.00 0.71 0.00 0.00 52.55 53.06 1wwv s ASP 27 Cb 0.27 0.19 -0.06 0.00 1.01 0.00 0.00 42.92 44.33 1wwv s ASP 27 CO 0.77 -0.29 1.40 -2.24 0.21 0.00 0.00 175.17 175.03 1wwv h ASP 28 N 2.04 0.87 -0.21 0.27 2.03 -1.85 -2.01 116.42 117.56 1wwv h ASP 28 Ca -0.12 -0.50 0.06 0.00 -0.73 0.00 0.00 57.03 55.74 1wwv h ASP 28 Cb 1.18 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 1wwv h ASP 28 CO 0.25 1.28 0.44 0.28 -1.03 0.00 0.00 179.24 180.45 1wwv h SER 29 N 0.57 0.00 0.00 4.15 0.02 -1.96 0.44 113.55 116.77 1wwv h SER 29 Ca -0.01 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1wwv h SER 29 Cb 1.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 1wwv h SER 29 CO 0.13 0.00 -2.23 0.18 -1.14 0.00 0.00 176.83 173.77 1wwv n LEU 30 N -3.25 0.22 0.15 5.07 4.77 -1.13 -4.37 117.00 118.46 1wwv n LEU 30 Ca 0.03 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1wwv n LEU 30 Cb 0.55 0.35 0.39 0.00 -2.33 0.00 0.00 43.42 42.38 1wwv n LEU 30 CO 0.19 0.47 1.12 1.56 -1.33 0.00 0.00 177.39 179.41 1wwv h GLN 31 N 0.00 0.00 -0.11 3.23 4.20 -0.14 0.51 115.11 122.81 1wwv h GLN 31 Ca -0.49 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 1wwv h GLN 31 Cb 2.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.86 1wwv h GLN 31 CO 0.02 0.00 -0.05 0.22 -0.67 0.00 0.00 178.83 178.35 1wwv h ASP 32 N 0.00 0.23 -2.21 1.46 3.58 -1.75 -3.45 116.42 114.28 1wwv h ASP 32 Ca 0.16 -0.40 -0.62 0.00 0.42 0.00 0.00 57.03 56.58 1wwv h ASP 32 Cb 1.84 -0.06 0.08 0.00 1.72 0.00 0.00 39.33 42.90 1wwv h ASP 32 CO -0.00 0.58 0.41 -1.22 -2.88 0.00 0.00 179.24 176.13 1wwv n TYR 33 N -4.72 1.64 -2.07 0.28 4.02 0.18 -4.80 117.16 111.69 1wwv n TYR 33 Ca -0.06 0.58 -0.28 0.00 -0.01 0.00 0.00 57.90 58.13 1wwv n TYR 33 Cb 0.27 -2.35 -0.06 0.00 -0.02 0.00 0.00 39.34 37.18 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 -0.34 2.50 0.11 -0.72 0.04 -1.26 -4.75 135.00 130.57 1wwv s PRO 34 Ca 0.72 -1.08 -0.16 0.00 0.04 0.00 0.00 61.00 60.52 1wwv s PRO 34 Cb -0.78 -5.22 -0.05 0.00 0.04 0.00 0.00 34.50 28.49 1wwv s PRO 34 CO 0.51 -3.92 1.52 0.74 0.04 0.00 0.00 177.00 175.89 1wwv h PHE 35 N 9.89 0.69 0.00 0.56 0.04 -1.90 -2.49 116.94 123.73 1wwv h PHE 35 Ca 0.20 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1wwv h PHE 35 Cb 0.95 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1wwv h PHE 35 CO 1.21 0.77 0.26 0.93 -0.60 0.00 0.00 178.31 180.88 1wwv h GLU 36 N 0.41 0.00 0.07 1.51 5.08 -1.92 0.13 114.58 119.87 1wwv h GLU 36 Ca 0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.09 1wwv h GLU 36 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1wwv h GLU 36 CO 0.03 0.00 -2.05 -0.25 -1.00 0.00 0.00 179.01 175.73 1wwv n ASP 37 N -2.37 1.73 -0.35 1.42 8.00 -0.96 -4.20 116.55 119.82 1wwv n ASP 37 Ca -0.01 0.18 0.23 0.00 0.71 0.00 0.00 54.79 55.90 1wwv n ASP 37 Cb 0.29 -0.52 0.49 0.00 -0.02 0.00 0.00 41.12 41.36 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1wwv h TRP 38 N 0.04 0.79 -6.98 1.24 4.06 -0.51 -3.44 115.95 111.14 1wwv h TRP 38 Ca -0.43 0.03 -0.59 0.00 2.06 0.00 0.00 58.89 59.96 1wwv h TRP 38 Cb 2.02 -0.22 -0.31 0.00 -1.00 0.00 0.00 29.16 29.65 1wwv h TRP 38 CO 0.05 -0.01 -0.86 1.04 -3.56 0.00 0.00 178.44 175.09 1wwv n GLN 39 N -4.78 -1.75 -3.36 0.49 1.13 -1.21 -4.88 117.38 103.02 1wwv n GLN 39 Ca 0.28 0.23 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 1wwv n GLN 39 Cb 0.93 -4.88 -0.07 0.00 0.11 0.00 0.00 30.24 26.33 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wwv s LEU 40 N -7.22 4.14 0.73 1.08 2.96 -1.26 -4.88 118.68 114.22 1wwv s LEU 40 Ca 0.79 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 55.10 1wwv s LEU 40 Cb -0.45 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 43.73 1wwv s LEU 40 CO 0.97 -0.11 1.10 -2.16 -1.32 0.00 0.00 176.35 174.83 1wwv s PRO 41 N 1.45 2.48 0.19 0.98 0.04 -1.26 -4.13 135.00 134.75 1wwv s PRO 41 Ca 0.20 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 1wwv s PRO 41 Cb -0.15 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1wwv s PRO 41 CO 0.08 -1.48 1.82 0.78 0.04 0.00 0.00 177.00 178.24 1wwv h GLY 42 N -0.66 0.84 -0.24 0.56 0.00 -1.51 -0.80 103.07 101.25 1wwv h GLY 42 Ca -0.45 -0.26 0.31 0.00 0.00 0.00 0.00 47.33 46.93 1wwv h GLY 42 CO 0.52 0.21 0.77 0.07 0.00 0.00 0.00 176.54 178.11 1wwv h LYS 43 N 0.69 0.14 0.13 4.80 2.10 -1.51 0.60 116.57 123.52 1wwv h LYS 43 Ca 0.24 -0.01 -0.35 0.00 -2.00 0.00 0.00 60.65 58.53 1wwv h LYS 43 Cb 0.05 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1wwv h LYS 43 CO -0.11 0.09 -1.85 -0.91 -2.00 0.00 0.00 179.45 174.66 1wwv h ASN 44 N 0.14 0.43 -0.82 7.07 2.35 -1.63 -3.31 115.58 119.82 1wwv h ASN 44 Ca 0.57 -0.82 0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1wwv h ASN 44 Cb 1.95 -0.14 -0.15 0.00 0.05 0.00 0.00 38.32 40.02 1wwv h ASN 44 CO -0.12 1.72 -0.22 0.25 -1.65 0.00 0.00 177.43 177.41 1wwv h LEU 45 N 0.08 -0.83 -1.13 1.61 5.85 0.51 1.25 115.31 122.65 1wwv h LEU 45 Ca -0.37 0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1wwv h LEU 45 Cb 2.05 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 43.60 1wwv h LEU 45 CO 0.12 -0.28 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.70 1wwv h LEU 46 N -0.01 0.00 -2.38 2.25 3.38 -1.66 -2.54 115.31 114.35 1wwv h LEU 46 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1wwv h LEU 46 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wwv h LEU 46 CO -0.84 0.17 0.00 0.00 0.09 0.00 0.00 178.44 177.86 1wwv n GLN 47 N -3.32 2.91 -1.35 1.13 6.02 0.39 -4.95 117.38 118.21 1wwv n GLN 47 Ca 0.00 -2.14 -0.30 0.00 -0.01 0.00 0.00 57.00 54.55 1wwv n GLN 47 Cb 0.41 -1.67 0.12 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.40 2.40 0.11 1.08 1.43 0.79 -5.00 118.68 118.09 1wwv s LEU 48 Ca 0.39 1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 54.81 1wwv s LEU 48 Cb 0.24 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wwv s LEU 48 CO 0.20 -2.37 0.21 0.00 0.23 0.00 0.00 176.35 174.63 1wwv h PRO 50 N 2.70 0.00 0.02 0.00 0.13 -1.98 -1.93 132.00 130.93 1wwv h PRO 50 Ca -0.33 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.49 1wwv h PRO 50 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1wwv h PRO 50 CO 0.54 0.00 -1.74 1.04 -0.23 0.00 0.00 178.00 177.61 1wwv n GLN 51 N -2.45 0.65 0.11 0.86 3.00 -1.26 -4.10 117.38 114.19 1wwv n GLN 51 Ca 0.02 0.30 -0.23 0.00 -0.01 0.00 0.00 57.00 57.07 1wwv n GLN 51 Cb 0.24 -1.79 -0.15 0.00 0.00 0.00 0.00 30.24 28.55 1wwv n GLN 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1wwv h SER 52 N 0.01 0.77 -0.98 1.08 4.64 -1.91 -3.29 113.55 113.88 1wwv h SER 52 Ca -0.30 -0.90 0.23 0.00 -0.47 0.00 0.00 61.79 60.34 1wwv h SER 52 Cb 2.01 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.77 1wwv h SER 52 CO 0.08 1.61 0.63 -0.07 -0.87 0.00 0.00 176.83 178.22 1wwv h LEU 53 N 0.06 0.49 -1.54 5.97 3.38 -1.53 0.24 115.31 122.38 1wwv h LEU 53 Ca -0.21 0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.98 1wwv h LEU 53 Cb 1.98 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.66 1wwv h LEU 53 CO 0.24 0.16 0.52 -0.33 0.09 0.00 0.00 178.44 179.12 1wwv h GLU 54 N 0.47 0.44 -0.29 1.13 5.08 -1.47 0.12 114.58 120.06 1wwv h GLU 54 Ca 0.54 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1wwv h GLU 54 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1wwv h GLU 54 CO -0.26 0.29 0.07 0.00 -1.00 0.00 0.00 179.01 178.11 1wwv h ALA 55 N 1.63 1.58 -0.22 3.43 0.00 -0.70 -1.53 119.26 123.45 1wwv h ALA 55 Ca 0.39 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1wwv h ALA 55 Cb 0.87 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1wwv h ALA 55 CO -0.14 0.32 0.09 1.28 0.00 0.00 0.00 179.25 180.80 1wwv n LEU 56 N -4.37 3.17 -1.12 0.00 4.77 0.37 -4.79 117.00 115.02 1wwv n LEU 56 Ca 0.01 -1.62 -0.11 0.00 -0.03 0.00 0.00 56.01 54.26 1wwv n LEU 56 Cb 0.17 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1wwv n LEU 56 CO 0.37 0.50 -0.13 0.00 -1.33 0.00 0.00 177.39 176.80 1wwv n ALA 57 N 0.11 -0.28 -3.93 -1.18 0.00 -0.58 -4.98 120.51 109.67 1wwv n ALA 57 Ca 0.12 0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1wwv n ALA 57 Cb 0.67 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.50 2.72 -0.22 0.00 1.01 -0.88 -4.88 120.40 115.65 1wwv s VAL 58 Ca 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 61.98 58.28 1wwv s VAL 58 Cb 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 33.41 1wwv s VAL 58 CO 0.00 -0.87 -0.24 0.54 0.00 0.00 0.00 175.10 174.53 1wwv n ARG 59 N 2.72 0.50 -1.66 2.72 1.74 -1.26 -2.01 116.66 119.42 1wwv n ARG 59 Ca 0.10 0.17 -0.65 0.00 -0.77 0.00 0.00 57.85 56.70 1wwv n ARG 59 Cb 0.33 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.58 1.33 -0.07 0.55 2.88 -1.26 -4.82 113.62 108.65 1wwv n SER 60 Ca -0.41 1.08 -0.08 0.00 -1.33 0.00 0.00 58.87 58.13 1wwv n SER 60 Cb 0.86 -0.93 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 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 6.12 0.02 -0.75 2.46 7.12 -1.99 -2.04 115.31 126.24 1wwv h LEU 61 Ca -0.39 0.04 0.17 0.00 0.13 0.00 0.00 57.88 57.84 1wwv h LEU 61 Cb 1.37 0.05 -0.12 0.00 -0.53 0.00 0.00 40.66 41.43 1wwv h LEU 61 CO 1.00 0.05 0.10 1.23 -0.13 0.00 0.00 178.44 180.68 1wwv h GLY 62 N 0.16 0.97 1.01 3.75 0.00 -2.00 0.13 103.07 107.08 1wwv h GLY 62 Ca 0.12 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1wwv h GLY 62 CO -0.16 -0.26 0.01 0.45 0.00 0.00 0.00 176.54 176.58 1wwv h HIS 63 N 0.18 0.96 0.61 5.60 3.86 -1.82 -3.03 115.15 121.52 1wwv h HIS 63 Ca 0.43 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1wwv h HIS 63 Cb 0.76 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.98 1wwv h HIS 63 CO -0.33 0.89 -0.29 1.96 0.86 0.00 0.00 177.93 181.02 1wwv h GLN 64 N 0.75 -0.79 -0.84 2.45 4.20 -0.28 -2.90 115.11 117.71 1wwv h GLN 64 Ca 0.14 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.11 1wwv h GLN 64 Cb 0.50 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 28.31 1wwv h GLN 64 CO 0.02 -0.52 0.03 1.49 -0.67 0.00 0.00 178.83 179.18 1wwv h GLU 65 N -0.83 0.08 -0.75 1.46 4.57 -0.86 0.36 114.58 118.63 1wwv h GLU 65 Ca -0.08 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1wwv h GLU 65 Cb 0.63 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.09 1wwv h GLU 65 CO 0.14 0.06 0.19 -0.07 -1.18 0.00 0.00 179.01 178.15 1wwv h LEU 66 N 0.09 0.04 0.05 1.64 3.38 -1.38 0.82 115.31 119.95 1wwv h LEU 66 Ca 0.48 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.59 1wwv h LEU 66 Cb 0.90 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wwv h LEU 66 CO -0.75 -0.03 -0.02 0.40 0.09 0.00 0.00 178.44 178.13 1wwv h ILE 67 N 0.28 0.00 -0.82 1.22 2.04 -0.35 -3.27 117.51 116.60 1wwv h ILE 67 Ca 0.42 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 66.18 1wwv h ILE 67 Cb 0.73 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.65 1wwv h ILE 67 CO -0.51 0.00 -0.05 0.18 0.00 0.00 0.00 178.15 177.77 1wwv n LEU 68 N -3.05 -0.15 0.11 1.44 7.99 0.22 -0.37 117.00 123.18 1wwv n LEU 68 Ca -0.01 1.40 -0.14 0.00 -0.01 0.00 0.00 56.01 57.24 1wwv n LEU 68 Cb 0.03 -0.48 -0.09 0.00 -0.11 0.00 0.00 43.42 42.77 1wwv n LEU 68 CO 0.02 -1.39 0.51 1.23 -1.51 0.00 0.00 177.39 176.25 1wwv h GLY 69 N 0.00 -1.18 0.73 -0.72 0.00 -0.96 0.67 103.07 101.62 1wwv h GLY 69 Ca 0.47 0.63 0.06 0.00 0.00 0.00 0.00 47.33 48.48 1wwv h GLY 69 CO -0.79 -0.30 0.49 -1.33 0.00 0.00 0.00 176.54 174.61 1wwv h GLY 70 N -0.67 1.19 0.79 4.60 0.00 -0.76 -2.30 103.07 105.93 1wwv h GLY 70 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1wwv h GLY 70 CO -0.24 0.24 0.37 -2.08 0.00 0.00 0.00 176.54 174.83 1wwv h VAL 71 N 0.90 1.03 -0.53 4.60 2.07 -0.72 -1.93 116.25 121.67 1wwv h VAL 71 Ca 0.35 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1wwv h VAL 71 Cb 0.15 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 1wwv h VAL 71 CO -0.17 0.13 0.05 -0.33 0.02 0.00 0.00 177.57 177.28 1wwv h GLU 72 N 0.71 0.17 -0.45 1.57 5.08 -0.28 -0.24 114.58 121.13 1wwv h GLU 72 Ca 0.27 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1wwv h GLU 72 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1wwv h GLU 72 CO -0.13 0.11 0.01 1.96 -1.00 0.00 0.00 179.01 179.96 1wwv h GLN 73 N 0.18 0.74 0.70 2.33 1.08 -1.33 -3.15 115.11 115.65 1wwv h GLN 73 Ca 0.27 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1wwv h GLN 73 Cb 0.40 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1wwv h GLN 73 CO -0.40 0.74 -0.34 -0.07 -0.95 0.00 0.00 178.83 177.81 1wwv h LEU 74 N 0.70 -0.80 -1.84 1.46 3.38 -0.33 -2.33 115.31 115.54 1wwv h LEU 74 Ca 0.14 0.02 0.51 0.00 0.09 0.00 0.00 57.88 58.64 1wwv h LEU 74 Cb 0.41 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1wwv h LEU 74 CO 0.02 -0.56 1.19 1.56 0.09 0.00 0.00 178.44 180.74 1wwv h GLN 75 N -0.96 0.02 0.00 1.13 4.20 -1.17 0.32 115.11 118.64 1wwv h GLN 75 Ca -0.10 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1wwv h GLN 75 Cb 0.73 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1wwv h GLN 75 CO 0.16 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 1wwv n ALA 76 N -2.79 -0.16 -0.19 3.87 0.00 -0.90 -2.36 120.51 117.97 1wwv n ALA 76 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.84 1wwv n ALA 76 Cb 1.76 0.00 0.08 0.00 0.00 0.00 0.00 19.45 21.29 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 -0.27 0.06 0.00 8.10 -1.02 -2.15 115.31 120.03 1wwv h LEU 77 Ca 0.00 0.14 0.02 0.00 0.11 0.00 0.00 57.88 58.16 1wwv h LEU 77 Cb 0.00 0.26 -0.05 0.00 -0.44 0.00 0.00 40.66 40.42 1wwv h LEU 77 CO 0.00 -0.10 -0.43 -1.28 -4.11 0.00 0.00 178.44 172.51 1wwv h SER 78 N 0.11 -1.30 -0.28 0.17 0.87 -0.56 -2.02 113.55 110.54 1wwv h SER 78 Ca 0.30 0.15 -0.26 0.00 -1.23 0.00 0.00 61.79 60.75 1wwv h SER 78 Cb 0.47 0.50 -0.09 0.00 -0.44 0.00 0.00 62.40 62.83 1wwv h SER 78 CO -0.50 -0.48 -0.14 -1.20 -0.53 0.00 0.00 176.83 173.99 1wwv n SER 79 N -5.46 5.60 -3.75 6.23 7.64 -0.82 -4.61 113.62 118.44 1wwv n SER 79 Ca -0.07 -2.67 -0.18 0.00 1.01 0.00 0.00 58.87 56.96 1wwv n SER 79 Cb 0.38 -1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 62.07 1wwv n SER 79 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wwv s ARG 80 N 0.14 0.12 -0.70 1.43 3.52 -0.76 -4.92 118.95 117.77 1wwv s ARG 80 Ca 0.58 0.21 -0.26 0.00 -0.13 0.00 0.00 55.73 56.13 1wwv s ARG 80 Cb 0.31 -0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 33.17 1wwv s ARG 80 CO -0.06 -0.23 2.01 -0.51 -0.81 0.00 0.00 175.30 175.71 1wwv s LEU 81 N 1.51 3.23 -1.08 -0.88 1.02 -1.26 -4.87 118.68 116.35 1wwv s LEU 81 Ca -0.03 0.09 -0.25 0.00 0.02 0.00 0.00 54.13 53.96 1wwv s LEU 81 Cb -0.13 -2.54 -0.14 0.00 0.02 0.00 0.00 46.19 43.40 1wwv s LEU 81 CO -0.03 -2.70 2.05 -1.58 0.02 0.00 0.00 176.35 174.12 1wwv s GLN 82 N 7.37 1.88 -0.39 1.70 2.00 -1.26 -4.87 119.66 126.09 1wwv s GLN 82 Ca 0.74 -0.63 -0.42 0.00 -2.00 0.00 0.00 55.36 53.05 1wwv s GLN 82 Cb -0.11 -5.08 -0.19 0.00 0.80 0.00 0.00 33.01 28.44 1wwv s GLN 82 CO 0.13 -4.59 1.40 2.41 -0.50 0.00 0.00 175.29 174.14 1wwv n THR 83 N 8.41 0.00 -0.69 -0.34 -1.04 -1.26 -4.85 114.28 114.51 1wwv n THR 83 Ca 0.43 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.13 1wwv n THR 83 Cb 0.46 -0.39 0.16 0.00 -1.82 0.00 0.00 70.33 68.75 1wwv n THR 83 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1wwv n GLU 84 N 3.32 -0.52 -3.03 -2.82 0.00 -1.26 -3.58 120.64 112.75 1wwv n GLU 84 Ca 0.27 -0.09 -0.15 0.00 0.00 0.00 0.00 57.16 57.19 1wwv n GLU 84 Cb -0.03 -2.25 0.04 0.00 0.00 0.00 0.00 31.44 29.20 1wwv n GLU 84 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wwv n ASN 85 N -3.63 -4.62 -0.07 -1.84 5.15 -1.26 -4.96 115.26 104.03 1wwv n ASN 85 Ca 0.10 -0.28 -0.09 0.00 -0.60 0.00 0.00 54.58 53.71 1wwv n ASN 85 Cb 0.53 -3.30 -0.06 0.00 -0.53 0.00 0.00 39.78 36.42 1wwv n ASN 85 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wwv h SER 86 N -1.42 0.00 -0.43 1.20 0.02 -1.88 -3.51 113.55 107.53 1wwv h SER 86 Ca -0.35 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1wwv h SER 86 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1wwv h SER 86 CO 0.35 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 1wwv n GLY 87 N 1.63 2.59 0.16 -3.77 0.00 -1.26 -4.96 105.19 99.59 1wwv n GLY 87 Ca -0.11 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 44.96 1wwv n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwv h PRO 88 N 0.00 0.00 -6.18 1.61 0.13 -2.01 -3.45 132.00 122.11 1wwv h PRO 88 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1wwv h PRO 88 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1wwv h PRO 88 CO 0.00 0.00 1.09 0.45 -0.23 0.00 0.00 178.00 179.31 1wwv n SER 89 N -2.42 2.87 -0.07 1.44 2.88 -1.26 -4.86 113.62 112.21 1wwv n SER 89 Ca 0.02 0.91 -0.14 0.00 -1.33 0.00 0.00 58.87 58.32 1wwv n SER 89 Cb 0.24 -1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 62.37 1wwv n SER 89 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wwv h SER 90 N 9.15 0.73 0.00 -3.46 4.64 -2.03 -3.52 113.55 119.07 1wwv h SER 90 Ca -0.44 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 1wwv h SER 90 Cb 1.30 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1wwv h SER 90 CO 0.97 1.13 0.00 0.61 -0.87 0.00 0.00 176.83 178.66