#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 6.28 0.09 1.61 0.15 -1.26 -4.96 113.70 115.61 1wwv s SER 2 Ca 0.00 -1.93 -0.30 0.00 0.70 0.00 0.00 55.95 54.42 1wwv s SER 2 Cb 0.00 -2.21 -0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1wwv s SER 2 CO 0.00 -0.82 1.48 0.28 1.20 0.00 0.00 173.24 175.38 1wwv h SER 3 N 8.72 -1.35 0.00 5.45 0.02 -2.08 -3.49 113.55 120.83 1wwv h SER 3 Ca -0.24 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1wwv h SER 3 Cb 1.09 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1wwv h SER 3 CO 1.00 -0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1wwv n GLY 4 N -1.43 -0.52 3.90 -3.77 0.00 -1.26 -5.12 105.19 97.00 1wwv n GLY 4 Ca -0.08 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1wwv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwv s SER 5 N -4.00 6.32 0.03 1.61 0.01 -1.26 -4.99 113.70 111.42 1wwv s SER 5 Ca 0.00 0.99 -0.36 0.00 1.31 0.00 0.00 55.95 57.89 1wwv s SER 5 Cb 0.00 -2.27 -0.15 0.00 0.21 0.00 0.00 66.02 63.81 1wwv s SER 5 CO 0.00 -0.54 1.57 -1.54 0.41 0.00 0.00 173.24 173.14 1wwv n SER 6 N -2.04 2.56 0.00 2.44 3.41 -1.26 -4.73 113.62 114.00 1wwv n SER 6 Ca 0.01 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1wwv n SER 6 Cb 0.55 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1wwv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwv n GLY 7 N 3.40 0.64 3.32 5.00 0.00 -1.26 -5.04 105.19 111.24 1wwv n GLY 7 Ca 0.20 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.78 3.37 0.23 1.61 -2.45 -1.26 -5.01 119.30 115.01 1wwv s MET 8 Ca 0.00 -0.65 -0.32 0.00 -1.25 0.00 0.00 55.69 53.48 1wwv s MET 8 Cb 0.00 -2.89 -0.13 0.00 1.25 0.00 0.00 34.83 33.06 1wwv s MET 8 CO 0.00 -0.09 1.55 -1.91 1.05 0.00 0.00 175.02 175.63 1wwv n GLU 9 N 4.44 2.36 -1.59 4.11 2.13 -1.26 -4.96 120.64 125.88 1wwv n GLU 9 Ca -0.18 0.84 -0.32 0.00 0.66 0.00 0.00 57.16 58.16 1wwv n GLU 9 Cb 0.51 -2.60 0.06 0.00 0.27 0.00 0.00 31.44 29.69 1wwv n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wwv s PRO 10 N 0.17 2.62 0.15 5.31 0.04 -1.26 -4.97 135.00 137.06 1wwv s PRO 10 Ca 0.71 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1wwv s PRO 10 Cb -0.59 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1wwv s PRO 10 CO 0.43 -1.38 1.36 0.28 0.04 0.00 0.00 177.00 177.73 1wwv h VAL 11 N -0.36 1.41 0.00 -0.36 2.07 -1.90 -3.01 116.25 114.10 1wwv h VAL 11 Ca -0.46 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1wwv h VAL 11 Cb 1.24 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1wwv h VAL 11 CO 0.53 0.71 0.02 -1.84 0.02 0.00 0.00 177.57 177.00 1wwv n GLU 12 N -3.76 0.04 -0.01 1.57 0.28 -1.26 -0.68 120.64 116.81 1wwv n GLU 12 Ca -0.05 0.53 0.07 0.00 -0.16 0.00 0.00 57.16 57.54 1wwv n GLU 12 Cb 0.79 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.91 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 -1.70 0.00 -0.71 3.84 -2.24 -1.15 -2.87 114.28 109.46 1wwv n THR 13 Ca -0.00 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 1wwv n THR 13 Cb 0.03 0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.97 -1.41 -3.97 4.78 7.02 0.14 -4.89 117.44 117.14 1wwv n TRP 14 Ca -0.02 0.16 -0.22 0.00 -1.02 0.00 0.00 57.50 56.40 1wwv n TRP 14 Cb 0.35 -1.65 -0.02 0.00 -2.42 0.00 0.00 31.31 27.57 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 -2.30 5.24 -2.00 -0.99 -4.23 -1.26 -3.14 115.64 106.95 1wwv s THR 15 Ca 0.57 -0.96 0.11 0.00 -1.18 0.00 0.00 61.69 60.23 1wwv s THR 15 Cb -0.16 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.17 1wwv s THR 15 CO 0.66 -0.29 1.08 -0.81 -0.54 0.00 0.00 174.62 174.72 1wwv n PRO 16 N -1.26 0.48 -0.01 3.99 -0.04 -1.26 -2.20 135.00 134.70 1wwv n PRO 16 Ca -0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1wwv n PRO 16 Cb 0.57 -1.35 -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 0.10 0.55 0.00 -1.26 -4.13 105.19 99.64 1wwv n GLY 17 Ca 0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.98 0.67 -0.33 1.61 5.02 -0.94 -4.22 118.16 118.00 1wwv n LYS 18 Ca -0.02 0.19 0.25 0.00 -2.02 0.00 0.00 58.31 56.70 1wwv n LYS 18 Cb 0.43 -1.67 0.54 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 0.01 0.49 -0.46 -0.18 2.07 -1.76 0.52 116.25 116.94 1wwv h VAL 19 Ca -0.42 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.09 1wwv h VAL 19 Cb 2.07 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1wwv h VAL 19 CO 0.05 0.06 0.32 0.00 0.02 0.00 0.00 177.57 178.02 1wwv h ALA 20 N 1.61 2.23 0.07 1.67 0.00 -1.81 0.24 119.26 123.26 1wwv h ALA 20 Ca 0.61 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.26 1wwv h ALA 20 Cb 1.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1wwv h ALA 20 CO -0.28 -0.35 -1.09 1.15 0.00 0.00 0.00 179.25 178.68 1wwv h THR 21 N 0.15 1.52 0.00 0.00 2.02 -0.21 -1.58 112.91 114.81 1wwv h THR 21 Ca 0.21 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 64.44 1wwv h THR 21 Cb 0.65 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1wwv h THR 21 CO -0.03 0.86 -0.05 -0.25 0.37 0.00 0.00 175.52 176.42 1wwv h TRP 22 N 0.09 0.00 0.11 3.16 7.01 -0.95 -2.80 115.95 122.58 1wwv h TRP 22 Ca -0.09 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.58 1wwv h TRP 22 Cb 1.79 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.83 1wwv h TRP 22 CO 0.05 0.05 -1.80 -0.07 -2.79 0.00 0.00 178.44 173.88 1wwv h LEU 23 N 0.00 0.38 -1.13 0.65 3.38 -0.62 -3.20 115.31 114.76 1wwv h LEU 23 Ca -0.00 -0.88 -0.09 0.00 0.09 0.00 0.00 57.88 57.00 1wwv h LEU 23 Cb 1.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wwv h LEU 23 CO 0.01 1.77 -0.36 0.08 0.09 0.00 0.00 178.44 180.03 1wwv h ARG 24 N -0.12 0.14 -0.03 1.13 -0.00 -1.38 -2.99 114.38 111.13 1wwv h ARG 24 Ca -0.39 -0.06 -0.21 0.00 -0.00 0.00 0.00 59.98 59.32 1wwv h ARG 24 Cb 1.91 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.87 1wwv h ARG 24 CO 0.05 0.48 -0.87 0.78 -0.00 0.00 0.00 179.97 180.42 1wwv h GLY 25 N 1.12 0.47 -0.93 0.08 0.00 -1.65 -3.29 103.07 98.87 1wwv h GLY 25 Ca 0.01 -0.76 0.23 0.00 0.00 0.00 0.00 47.33 46.82 1wwv h GLY 25 CO 0.05 0.67 -0.06 1.04 0.00 0.00 0.00 176.54 178.24 1wwv n LEU 26 N -3.78 -0.18 -3.61 3.11 4.77 -1.13 -4.75 117.00 111.43 1wwv n LEU 26 Ca -0.06 1.58 -0.02 0.00 -0.03 0.00 0.00 56.01 57.49 1wwv n LEU 26 Cb 0.79 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1wwv n LEU 26 CO 0.50 -1.58 1.02 -1.81 -1.33 0.00 0.00 177.39 174.19 1wwv s ASP 27 N -5.08 -0.10 0.08 -1.43 1.01 -1.24 -5.04 116.67 104.86 1wwv s ASP 27 Ca -0.13 -0.08 -0.09 0.00 0.71 0.00 0.00 52.55 52.97 1wwv s ASP 27 Cb 0.27 0.17 -0.25 0.00 1.01 0.00 0.00 42.92 44.11 1wwv s ASP 27 CO 0.72 -0.29 1.15 0.44 0.21 0.00 0.00 175.17 177.40 1wwv h ASP 28 N 2.00 0.63 0.00 0.27 5.19 -1.85 -2.90 116.42 119.75 1wwv h ASP 28 Ca -0.20 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.60 1wwv h ASP 28 Cb 1.19 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1wwv h ASP 28 CO 0.26 1.44 0.25 0.28 -3.12 0.00 0.00 179.24 178.35 1wwv h SER 29 N 0.17 0.00 0.00 6.45 0.02 -1.96 0.35 113.55 118.58 1wwv h SER 29 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1wwv h SER 29 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1wwv h SER 29 CO 0.22 0.00 -1.35 0.18 -1.14 0.00 0.00 176.83 174.73 1wwv n LEU 30 N -2.28 0.07 0.20 5.07 4.77 -1.21 -4.48 117.00 119.14 1wwv n LEU 30 Ca -0.01 -0.07 0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1wwv n LEU 30 Cb 0.28 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.88 1wwv n LEU 30 CO 0.08 0.02 0.87 1.56 -1.33 0.00 0.00 177.39 178.60 1wwv h GLN 31 N 0.00 0.00 0.13 3.23 1.08 -0.08 -1.22 115.11 118.25 1wwv h GLN 31 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wwv h GLN 31 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wwv h GLN 31 CO 0.00 0.00 -0.06 0.22 -0.95 0.00 0.00 178.83 178.04 1wwv h ASP 32 N 0.00 -0.14 -1.95 1.46 1.82 -1.78 -3.45 116.42 112.38 1wwv h ASP 32 Ca 0.00 -0.39 -0.65 0.00 -0.39 0.00 0.00 57.03 55.60 1wwv h ASP 32 Cb 0.48 0.04 0.07 0.00 0.68 0.00 0.00 39.33 40.59 1wwv h ASP 32 CO 0.00 0.37 0.44 -1.22 -1.61 0.00 0.00 179.24 177.21 1wwv n TYR 33 N -4.93 1.58 -2.06 0.28 4.01 -0.46 -4.80 117.16 110.78 1wwv n TYR 33 Ca -0.08 0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 57.97 1wwv n TYR 33 Cb 0.27 -2.35 -0.06 0.00 -0.31 0.00 0.00 39.34 36.89 1wwv n TYR 33 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wwv s PRO 34 N 0.11 2.51 0.11 -0.72 0.04 -1.26 -4.75 135.00 131.04 1wwv s PRO 34 Ca 0.78 -0.89 -0.15 0.00 0.04 0.00 0.00 61.00 60.78 1wwv s PRO 34 Cb -0.85 -5.19 -0.06 0.00 0.04 0.00 0.00 34.50 28.44 1wwv s PRO 34 CO 0.48 -3.79 1.48 0.74 0.04 0.00 0.00 177.00 175.95 1wwv h PHE 35 N 10.22 0.83 0.00 0.56 0.04 -1.91 -2.60 116.94 124.07 1wwv h PHE 35 Ca 0.18 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1wwv h PHE 35 Cb 0.96 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1wwv h PHE 35 CO 1.21 0.92 0.18 1.49 -0.60 0.00 0.00 178.31 181.52 1wwv h GLU 36 N 0.49 0.00 0.00 1.51 4.81 -1.92 0.18 114.58 119.65 1wwv h GLU 36 Ca 0.07 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.08 1wwv h GLU 36 Cb 0.71 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1wwv h GLU 36 CO 0.05 0.00 -1.83 -0.25 -0.73 0.00 0.00 179.01 176.25 1wwv n ASP 37 N -2.76 0.49 -0.32 1.04 9.92 -1.01 -4.22 116.55 119.68 1wwv n ASP 37 Ca -0.02 0.22 0.05 0.00 -0.53 0.00 0.00 54.79 54.50 1wwv n ASP 37 Cb 0.23 0.63 0.24 0.00 -0.64 0.00 0.00 41.12 41.58 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 1.08 -5.83 1.24 4.06 -0.30 -3.45 115.95 112.75 1wwv h TRP 38 Ca -0.27 0.03 -0.38 0.00 2.06 0.00 0.00 58.89 60.32 1wwv h TRP 38 Cb 1.76 -0.35 -0.14 0.00 -1.00 0.00 0.00 29.16 29.43 1wwv h TRP 38 CO 0.00 0.53 -0.56 1.04 -3.56 0.00 0.00 178.44 175.89 1wwv n GLN 39 N -4.51 -2.74 -2.99 0.49 6.02 -1.19 -4.88 117.38 107.57 1wwv n GLN 39 Ca 0.15 0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 57.05 1wwv n GLN 39 Cb 0.23 -4.97 -0.05 0.00 1.02 0.00 0.00 30.24 26.47 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 -6.46 4.15 0.64 1.08 2.96 -1.26 -4.81 118.68 114.98 1wwv s LEU 40 Ca 0.45 1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 55.21 1wwv s LEU 40 Cb -0.25 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1wwv s LEU 40 CO 0.55 -0.36 1.11 -2.16 -1.32 0.00 0.00 176.35 174.18 1wwv s PRO 41 N 2.13 2.87 0.12 0.98 0.04 -1.26 -4.11 135.00 135.76 1wwv s PRO 41 Ca 0.34 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 1wwv s PRO 41 Cb -0.16 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1wwv s PRO 41 CO 0.11 -1.20 1.63 0.78 0.04 0.00 0.00 177.00 178.36 1wwv h GLY 42 N 0.18 -0.49 -1.05 0.56 0.00 -1.72 -0.51 103.07 100.05 1wwv h GLY 42 Ca -0.47 0.34 0.37 0.00 0.00 0.00 0.00 47.33 47.57 1wwv h GLY 42 CO 0.54 -0.23 1.16 0.07 0.00 0.00 0.00 176.54 178.09 1wwv h LYS 43 N -0.46 0.00 0.04 4.80 2.10 -1.61 1.44 116.57 122.88 1wwv h LYS 43 Ca 0.05 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.38 1wwv h LYS 43 Cb 0.52 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.81 1wwv h LYS 43 CO -0.21 0.00 -1.86 0.09 -2.00 0.00 0.00 179.45 175.47 1wwv n ASN 44 N -3.62 1.30 -0.08 7.07 3.02 -0.31 -3.94 115.26 118.70 1wwv n ASN 44 Ca 0.29 0.31 -0.10 0.00 -0.03 0.00 0.00 54.58 55.05 1wwv n ASN 44 Cb 1.56 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 40.38 1wwv n ASN 44 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wwv h LEU 45 N 0.03 -1.28 -1.10 3.41 5.85 0.32 0.90 115.31 123.42 1wwv h LEU 45 Ca -0.35 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1wwv h LEU 45 Cb 2.03 0.56 0.00 0.00 0.37 0.00 0.00 40.66 43.62 1wwv h LEU 45 CO 0.08 -0.37 0.00 -0.07 -0.34 0.00 0.00 178.44 177.74 1wwv h LEU 46 N -0.36 0.00 0.00 2.25 4.07 -1.71 -1.97 115.31 117.60 1wwv h LEU 46 Ca 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.96 1wwv h LEU 46 Cb 0.58 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1wwv h LEU 46 CO -0.50 0.00 -1.34 0.00 -1.08 0.00 0.00 178.44 175.51 1wwv n GLN 47 N -2.39 0.62 -1.07 1.13 1.13 0.17 -4.96 117.38 112.01 1wwv n GLN 47 Ca 0.01 0.19 -0.36 0.00 -1.94 0.00 0.00 57.00 54.89 1wwv n GLN 47 Cb 0.18 -1.80 0.04 0.00 0.11 0.00 0.00 30.24 28.77 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wwv n LEU 48 N -2.83 -4.23 -4.17 1.08 4.77 0.26 -5.01 117.00 106.88 1wwv n LEU 48 Ca -0.08 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1wwv n LEU 48 Cb 0.77 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1wwv n LEU 48 CO 0.42 -5.22 -0.36 0.00 -1.33 0.00 0.00 177.39 170.90 1wwv h PRO 50 N 2.93 0.00 0.00 0.00 0.13 -1.98 -0.81 132.00 132.28 1wwv h PRO 50 Ca -0.35 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.50 1wwv h PRO 50 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1wwv h PRO 50 CO 0.64 0.26 -1.59 1.96 -0.23 0.00 0.00 178.00 179.04 1wwv h GLN 51 N 0.00 0.00 0.19 0.86 4.20 -1.96 -3.37 115.11 115.03 1wwv h GLN 51 Ca -0.00 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 1wwv h GLN 51 Cb 0.69 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.50 1wwv h GLN 51 CO 0.03 0.59 -1.36 0.77 -0.67 0.00 0.00 178.83 178.19 1wwv h SER 52 N 0.00 0.81 -1.24 1.46 0.02 -1.92 -3.27 113.55 109.40 1wwv h SER 52 Ca -0.24 -0.81 0.36 0.00 -0.84 0.00 0.00 61.79 60.26 1wwv h SER 52 Cb 1.97 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 64.17 1wwv h SER 52 CO 0.09 1.62 0.84 -0.07 -1.14 0.00 0.00 176.83 178.18 1wwv h LEU 53 N 0.19 0.21 -1.15 5.07 3.38 -1.30 0.44 115.31 122.15 1wwv h LEU 53 Ca -0.21 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.00 1wwv h LEU 53 Cb 2.04 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.73 1wwv h LEU 53 CO 0.25 -0.01 0.61 -0.33 0.09 0.00 0.00 178.44 179.05 1wwv h GLU 54 N 0.15 0.69 -0.53 1.13 5.08 -1.44 0.19 114.58 119.86 1wwv h GLU 54 Ca 0.67 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 59.07 1wwv h GLU 54 Cb 2.22 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 1wwv h GLU 54 CO -0.20 0.46 0.36 0.00 -1.00 0.00 0.00 179.01 178.62 1wwv h ALA 55 N 1.62 2.02 -0.37 3.43 0.00 -0.32 0.17 119.26 125.80 1wwv h ALA 55 Ca 0.53 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.26 1wwv h ALA 55 Cb 0.89 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1wwv h ALA 55 CO -0.30 -0.13 0.21 1.28 0.00 0.00 0.00 179.25 180.31 1wwv n LEU 56 N -4.47 4.19 -1.43 0.00 4.77 0.63 -4.80 117.00 115.89 1wwv n LEU 56 Ca 0.08 -2.17 -0.15 0.00 -0.03 0.00 0.00 56.01 53.74 1wwv n LEU 56 Cb 0.34 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1wwv n LEU 56 CO 0.34 0.66 -0.17 0.00 -1.33 0.00 0.00 177.39 176.89 1wwv n ALA 57 N -0.08 -0.34 -3.84 -1.18 0.00 0.04 -4.96 120.51 110.15 1wwv n ALA 57 Ca 0.22 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1wwv n ALA 57 Cb 0.91 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.65 3.20 -0.20 0.00 1.01 -0.96 -4.86 120.40 115.95 1wwv s VAL 58 Ca 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 61.98 58.33 1wwv s VAL 58 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1wwv s VAL 58 CO 0.00 -0.92 -0.24 0.54 0.00 0.00 0.00 175.10 174.49 1wwv n ARG 59 N 2.78 0.45 -1.70 2.72 1.74 -1.26 -1.93 116.66 119.45 1wwv n ARG 59 Ca 0.12 0.17 -0.65 0.00 -0.77 0.00 0.00 57.85 56.72 1wwv n ARG 59 Cb 0.35 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 1wwv n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wwv n SER 60 N -3.67 1.43 0.16 0.55 7.64 -1.26 -4.80 113.62 113.67 1wwv n SER 60 Ca -0.38 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1wwv n SER 60 Cb 0.81 -0.94 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wwv h LEU 61 N 5.90 -0.99 -0.85 -3.43 7.12 -1.99 -1.62 115.31 119.46 1wwv h LEU 61 Ca -0.41 0.09 0.35 0.00 0.13 0.00 0.00 57.88 58.03 1wwv h LEU 61 Cb 1.36 0.34 -0.14 0.00 -0.53 0.00 0.00 40.66 41.69 1wwv h LEU 61 CO 0.99 -0.43 0.47 0.61 -0.13 0.00 0.00 178.44 179.95 1wwv n GLY 62 N -1.37 -0.62 0.08 3.75 0.00 -1.26 0.11 105.19 105.88 1wwv n GLY 62 Ca -0.07 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 1wwv n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1wwv h HIS 63 N 0.00 0.10 -0.64 1.61 3.86 -1.74 -3.00 115.15 115.35 1wwv h HIS 63 Ca 0.69 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.92 1wwv h HIS 63 Cb 1.88 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 30.28 1wwv h HIS 63 CO -0.01 0.68 0.34 1.96 0.86 0.00 0.00 177.93 181.76 1wwv h GLN 64 N -0.51 0.61 -0.48 2.45 4.20 0.17 -2.18 115.11 119.37 1wwv h GLN 64 Ca -0.00 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1wwv h GLN 64 Cb 0.68 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1wwv h GLN 64 CO 0.01 0.40 0.20 1.49 -0.67 0.00 0.00 178.83 180.26 1wwv h GLU 65 N 0.63 0.38 0.31 1.46 4.57 -0.93 0.21 114.58 121.21 1wwv h GLU 65 Ca 0.29 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1wwv h GLU 65 Cb 0.20 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1wwv h GLU 65 CO -0.19 0.25 -0.50 -0.07 -1.18 0.00 0.00 179.01 177.32 1wwv h LEU 66 N 0.39 -1.45 0.46 1.64 3.38 -1.25 0.57 115.31 119.06 1wwv h LEU 66 Ca 0.22 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1wwv h LEU 66 Cb 0.20 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wwv h LEU 66 CO -0.20 -0.60 -0.22 0.40 0.09 0.00 0.00 178.44 177.91 1wwv h ILE 67 N -0.86 0.00 -0.98 1.22 2.04 -1.30 -3.03 117.51 114.60 1wwv h ILE 67 Ca -0.04 -0.03 0.31 0.00 1.00 0.00 0.00 64.86 66.10 1wwv h ILE 67 Cb 0.80 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.73 1wwv h ILE 67 CO -0.17 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.41 1wwv h LEU 68 N -0.66 0.40 -0.88 1.44 3.38 -0.62 -0.74 115.31 117.63 1wwv h LEU 68 Ca -0.06 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.23 1wwv h LEU 68 Cb 0.48 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 1wwv h LEU 68 CO 0.10 -0.15 -0.42 1.23 0.09 0.00 0.00 178.44 179.29 1wwv h GLY 69 N 0.29 -0.19 0.88 0.83 0.00 0.29 -1.36 103.07 103.81 1wwv h GLY 69 Ca 0.70 0.57 -0.16 0.00 0.00 0.00 0.00 47.33 48.43 1wwv h GLY 69 CO -0.63 -0.15 -0.61 -1.33 0.00 0.00 0.00 176.54 173.82 1wwv h GLY 70 N -0.06 0.55 0.27 4.60 0.00 -1.21 -3.17 103.07 104.05 1wwv h GLY 70 Ca 0.27 -0.88 0.13 0.00 0.00 0.00 0.00 47.33 46.85 1wwv h GLY 70 CO -0.89 0.78 0.74 -2.08 0.00 0.00 0.00 176.54 175.09 1wwv h VAL 71 N 0.06 0.12 0.22 4.60 2.07 -0.73 0.62 116.25 123.20 1wwv h VAL 71 Ca -0.06 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.15 1wwv h VAL 71 Cb 1.29 0.35 0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1wwv h VAL 71 CO 0.12 0.00 -1.41 -0.33 0.02 0.00 0.00 177.57 175.98 1wwv h GLU 72 N 0.00 0.46 0.00 1.57 5.08 -1.26 -3.26 114.58 117.17 1wwv h GLU 72 Ca 0.20 -0.78 -0.10 0.00 -1.00 0.00 0.00 59.36 57.68 1wwv h GLU 72 Cb 1.69 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1wwv h GLU 72 CO -0.00 1.37 -0.47 -0.56 -1.00 0.00 0.00 179.01 178.35 1wwv h GLN 73 N 0.02 0.00 0.29 2.33 3.07 0.10 -3.21 115.11 117.70 1wwv h GLN 73 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 1wwv h GLN 73 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.60 1wwv h GLN 73 CO 0.22 0.47 -0.14 -0.07 0.09 0.00 0.00 178.83 179.40 1wwv h LEU 74 N 0.00 -0.33 -1.70 0.06 3.38 -1.20 -2.40 115.31 113.12 1wwv h LEU 74 Ca -0.00 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.14 1wwv h LEU 74 Cb 0.87 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1wwv h LEU 74 CO 0.06 -0.12 0.84 1.56 0.09 0.00 0.00 178.44 180.87 1wwv h GLN 75 N -0.52 0.00 0.00 1.13 4.20 -1.59 0.25 115.11 118.58 1wwv h GLN 75 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wwv h GLN 75 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1wwv h GLN 75 CO 0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1wwv n ALA 76 N -2.44 -0.12 -0.24 3.87 0.00 -0.92 -1.58 120.51 119.08 1wwv n ALA 76 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.81 1wwv n ALA 76 Cb 1.13 0.00 0.50 0.00 0.00 0.00 0.00 19.45 21.08 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 0.42 -0.04 0.00 8.10 -1.23 -1.27 115.31 121.30 1wwv h LEU 77 Ca 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1wwv h LEU 77 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.18 1wwv h LEU 77 CO 0.00 0.17 -0.02 -1.28 -4.11 0.00 0.00 178.44 173.20 1wwv h SER 78 N 0.42 0.09 -3.61 0.17 0.87 -0.64 -3.39 113.55 107.46 1wwv h SER 78 Ca 0.46 -0.43 -0.75 0.00 -1.23 0.00 0.00 61.79 59.85 1wwv h SER 78 Cb 1.13 -0.03 -0.29 0.00 -0.44 0.00 0.00 62.40 62.78 1wwv h SER 78 CO -0.18 0.50 -0.20 -0.44 -0.53 0.00 0.00 176.83 175.98 1wwv s SER 79 N -5.73 6.03 -0.46 6.23 0.01 -0.48 -4.76 113.70 114.55 1wwv s SER 79 Ca -0.15 -2.35 0.03 0.00 1.31 0.00 0.00 55.95 54.79 1wwv s SER 79 Cb 0.03 -2.08 0.48 0.00 0.21 0.00 0.00 66.02 64.66 1wwv s SER 79 CO 0.69 -0.61 1.63 0.54 0.41 0.00 0.00 173.24 175.90 1wwv n ARG 80 N 4.36 2.86 -4.33 12.44 5.12 -1.23 -4.64 116.66 131.24 1wwv n ARG 80 Ca 0.02 -3.58 -0.21 0.00 -1.93 0.00 0.00 57.85 52.15 1wwv n ARG 80 Cb 0.42 -2.20 -0.11 0.00 -1.16 0.00 0.00 32.46 29.41 1wwv n ARG 80 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wwv s LEU 81 N -3.62 2.46 -1.36 0.55 1.02 -1.26 -4.75 118.68 111.72 1wwv s LEU 81 Ca 0.56 -0.89 -0.11 0.00 0.02 0.00 0.00 54.13 53.71 1wwv s LEU 81 Cb 0.46 -0.77 0.08 0.00 0.02 0.00 0.00 46.19 45.98 1wwv s LEU 81 CO 0.02 -0.07 0.56 0.00 0.02 0.00 0.00 176.35 176.87 1wwv n GLN 82 N 0.18 -3.51 -1.91 1.70 6.02 -1.26 -4.82 117.38 113.77 1wwv n GLN 82 Ca -0.12 0.47 -0.40 0.00 -0.01 0.00 0.00 57.00 56.93 1wwv n GLN 82 Cb 0.58 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.61 1wwv n GLN 82 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wwv s THR 83 N -3.00 3.32 0.29 5.09 -4.23 -1.26 -4.95 115.64 110.91 1wwv s THR 83 Ca 0.46 0.28 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1wwv s THR 83 Cb -0.24 -3.59 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 1wwv s THR 83 CO 0.57 -0.48 0.05 -1.61 -0.54 0.00 0.00 174.62 172.60 1wwv s GLU 84 N 6.58 1.55 -0.06 3.99 0.41 -1.26 -5.17 118.70 124.74 1wwv s GLU 84 Ca 0.80 -1.84 -0.07 0.00 -0.41 0.00 0.00 54.97 53.46 1wwv s GLU 84 Cb -0.19 -0.74 0.02 0.00 -1.78 0.00 0.00 34.13 31.43 1wwv s GLU 84 CO 0.28 -0.17 0.18 0.54 -0.49 0.00 0.00 175.26 175.60 1wwv s ASN 85 N -3.42 -0.16 0.20 -0.19 2.20 -1.26 -5.05 114.94 107.26 1wwv s ASN 85 Ca 0.35 0.28 -0.11 0.00 -0.94 0.00 0.00 52.86 52.44 1wwv s ASN 85 Cb 0.08 0.35 0.19 0.00 -2.00 0.00 0.00 41.25 39.87 1wwv s ASN 85 CO 0.14 -0.11 1.81 0.28 -2.94 0.00 0.00 177.10 176.28 1wwv h SER 86 N 5.61 0.54 0.00 3.54 0.02 -2.05 -3.47 113.55 117.74 1wwv h SER 86 Ca -0.26 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1wwv h SER 86 Cb 1.20 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1wwv h SER 86 CO 0.40 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 1wwv n GLY 87 N -1.27 1.12 3.76 -3.77 0.00 -1.26 -5.15 105.19 98.62 1wwv n GLY 87 Ca 0.07 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1wwv n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwv s PRO 88 N -2.00 4.45 -0.85 1.61 0.04 -1.26 -4.92 135.00 132.07 1wwv s PRO 88 Ca 0.00 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 1wwv s PRO 88 Cb 0.00 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1wwv s PRO 88 CO 0.00 -0.09 1.93 0.45 0.04 0.00 0.00 177.00 179.33 1wwv s SER 89 N -0.39 5.18 -1.45 6.66 0.15 -1.26 -3.49 113.70 119.11 1wwv s SER 89 Ca 0.50 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 1wwv s SER 89 Cb -0.37 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.44 1wwv s SER 89 CO 0.46 -2.66 0.99 -1.20 1.20 0.00 0.00 173.24 172.03 1wwv n SER 90 N 13.69 -4.52 -0.58 5.45 7.64 -1.26 -5.34 113.62 128.70 1wwv n SER 90 Ca 0.36 -0.72 0.07 0.00 1.01 0.00 0.00 58.87 59.59 1wwv n SER 90 Cb 0.48 -4.23 0.06 0.00 -1.01 0.00 0.00 64.21 59.51 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64