#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 -0.09 -1.34 1.61 1.04 -1.26 -4.96 113.70 108.70 1wwv s SER 2 Ca 0.00 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 1wwv s SER 2 Cb 0.00 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.90 1wwv s SER 2 CO 0.00 -1.28 0.31 -1.54 0.98 0.00 0.00 173.24 171.71 1wwv n SER 3 N -0.96 -0.71 0.00 7.02 3.41 -1.26 -4.77 113.62 116.35 1wwv n SER 3 Ca -0.06 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1wwv n SER 3 Cb 0.60 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1wwv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwv n GLY 4 N -1.33 1.91 2.74 5.00 0.00 -1.26 -5.13 105.19 107.12 1wwv n GLY 4 Ca -0.02 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.43 0.31 1.61 0.01 -1.26 -5.03 113.70 112.77 1wwv s SER 5 Ca 0.00 -1.17 -0.23 0.00 1.31 0.00 0.00 55.95 55.86 1wwv s SER 5 Cb 0.00 -0.72 -0.10 0.00 0.21 0.00 0.00 66.02 65.41 1wwv s SER 5 CO 0.00 -0.35 0.87 -0.94 0.41 0.00 0.00 173.24 173.23 1wwv s SER 6 N 1.75 7.15 0.39 2.44 1.04 -1.26 -4.91 113.70 120.29 1wwv s SER 6 Ca 0.03 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1wwv s SER 6 Cb -0.17 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1wwv s SER 6 CO -0.16 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wwv n GLY 7 N 0.33 0.55 3.43 7.32 0.00 -1.26 -4.73 105.19 110.83 1wwv n GLY 7 Ca 0.02 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 2.32 0.23 1.61 -2.45 -1.26 -5.12 119.30 114.63 1wwv s MET 8 Ca 0.00 -0.81 -0.25 0.00 -1.25 0.00 0.00 55.69 53.38 1wwv s MET 8 Cb 0.00 -2.25 -0.09 0.00 1.25 0.00 0.00 34.83 33.74 1wwv s MET 8 CO 0.00 0.59 0.84 -1.21 1.05 0.00 0.00 175.02 176.29 1wwv s GLU 9 N -0.82 4.56 0.05 4.11 8.01 -1.26 -5.01 118.70 128.34 1wwv s GLU 9 Ca 0.12 1.20 -0.31 0.00 0.01 0.00 0.00 54.97 55.99 1wwv s GLU 9 Cb -0.10 -3.08 -0.07 0.00 -4.31 0.00 0.00 34.13 26.57 1wwv s GLU 9 CO 0.01 0.46 1.41 -1.25 0.01 0.00 0.00 175.26 175.89 1wwv s PRO 10 N -1.54 4.30 0.45 0.39 0.04 -1.26 -4.86 135.00 132.51 1wwv s PRO 10 Ca 0.42 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.66 1wwv s PRO 10 Cb -0.21 -3.44 1.13 0.00 0.04 0.00 0.00 34.50 32.02 1wwv s PRO 10 CO 0.26 -0.52 1.94 0.28 0.04 0.00 0.00 177.00 179.00 1wwv h VAL 11 N 4.63 0.79 0.00 -0.36 2.07 -1.89 0.15 116.25 121.64 1wwv h VAL 11 Ca -0.40 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1wwv h VAL 11 Cb 1.19 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1wwv h VAL 11 CO 0.89 0.06 0.17 1.05 0.02 0.00 0.00 177.57 179.75 1wwv h GLU 12 N 0.32 0.00 0.00 1.57 4.11 -1.91 0.13 114.58 118.80 1wwv h GLU 12 Ca 0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.65 1wwv h GLU 12 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1wwv h GLU 12 CO -0.09 0.00 -1.67 0.25 0.07 0.00 0.00 179.01 177.58 1wwv n THR 13 N -2.27 0.42 -1.21 -1.06 -2.24 0.49 -1.65 114.28 106.76 1wwv n THR 13 Ca -0.01 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.00 1wwv n THR 13 Cb 0.20 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.19 -3.20 -2.55 4.78 7.02 0.03 -4.73 117.44 116.59 1wwv n TRP 14 Ca -0.11 0.36 -0.30 0.00 -1.02 0.00 0.00 57.50 56.43 1wwv n TRP 14 Cb 0.62 -1.66 -0.02 0.00 -2.42 0.00 0.00 31.31 27.84 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 4.78 -2.00 -0.99 -4.23 -1.26 -1.61 115.64 108.34 1wwv s THR 15 Ca 0.54 0.62 0.10 0.00 -1.18 0.00 0.00 61.69 61.78 1wwv s THR 15 Cb -0.43 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.91 1wwv s THR 15 CO 0.69 -0.75 1.06 -0.81 -0.54 0.00 0.00 174.62 174.26 1wwv n PRO 16 N -1.88 0.49 -0.00 3.99 -0.04 -1.26 -2.13 135.00 134.16 1wwv n PRO 16 Ca 0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1wwv n PRO 16 Cb 0.54 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.61 0.13 0.55 0.00 -1.26 -4.11 105.19 99.86 1wwv n GLY 17 Ca 0.08 -0.43 -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 -1.67 0.67 -0.40 1.61 5.02 -0.91 -4.21 118.16 118.27 1wwv n LYS 18 Ca 0.00 0.36 0.33 0.00 -2.02 0.00 0.00 58.31 56.99 1wwv n LYS 18 Cb 0.33 -1.69 0.61 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.40 0.13 -0.95 -0.18 2.07 -1.79 0.60 116.25 115.74 1wwv h VAL 19 Ca -0.44 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.27 1wwv h VAL 19 Cb 1.73 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 1wwv h VAL 19 CO -0.08 0.02 0.50 0.00 0.02 0.00 0.00 177.57 178.04 1wwv h ALA 20 N 1.72 1.59 -0.00 1.67 0.00 -1.81 0.35 119.26 122.77 1wwv h ALA 20 Ca 0.81 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.85 1wwv h ALA 20 Cb 2.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1wwv h ALA 20 CO -0.52 -0.27 -0.01 1.15 0.00 0.00 0.00 179.25 179.61 1wwv h THR 21 N 0.53 1.46 0.00 0.00 2.02 -0.03 -0.38 112.91 116.50 1wwv h THR 21 Ca 0.59 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1wwv h THR 21 Cb 1.09 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1wwv h THR 21 CO -0.48 0.36 -0.01 -0.25 0.37 0.00 0.00 175.52 175.51 1wwv h TRP 22 N -0.56 0.00 0.19 3.16 7.01 -1.18 0.10 115.95 124.67 1wwv h TRP 22 Ca 0.00 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.66 1wwv h TRP 22 Cb 0.59 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1wwv h TRP 22 CO 0.13 0.01 -1.65 -0.07 -2.79 0.00 0.00 178.44 174.07 1wwv h LEU 23 N 0.00 0.62 -0.60 0.65 3.38 -0.30 -3.15 115.31 115.91 1wwv h LEU 23 Ca -0.00 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.94 1wwv h LEU 23 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1wwv h LEU 23 CO 0.00 1.75 -0.02 -0.09 0.09 0.00 0.00 178.44 180.17 1wwv h ARG 24 N 0.04 1.07 -0.48 1.13 1.12 -0.45 -3.03 114.38 113.78 1wwv h ARG 24 Ca -0.32 -0.35 -0.10 0.00 -1.11 0.00 0.00 59.98 58.10 1wwv h ARG 24 Cb 2.05 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.90 1wwv h ARG 24 CO 0.18 1.05 -0.09 0.78 -3.11 0.00 0.00 179.97 178.78 1wwv h GLY 25 N 0.97 0.93 -0.72 2.80 0.00 -1.14 -3.26 103.07 102.66 1wwv h GLY 25 Ca 0.17 -0.71 0.07 0.00 0.00 0.00 0.00 47.33 46.86 1wwv h GLY 25 CO 0.03 0.65 -0.41 1.04 0.00 0.00 0.00 176.54 177.85 1wwv n LEU 26 N -4.16 -0.74 -3.59 3.11 4.77 -1.15 -4.76 117.00 110.49 1wwv n LEU 26 Ca 0.02 1.27 -0.05 0.00 -0.03 0.00 0.00 56.01 57.22 1wwv n LEU 26 Cb 0.37 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1wwv n LEU 26 CO 0.43 -1.04 0.97 -1.81 -1.33 0.00 0.00 177.39 174.61 1wwv s ASP 27 N -5.35 -0.16 0.19 -1.43 1.01 -1.23 -5.04 116.67 104.66 1wwv s ASP 27 Ca -0.09 0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.11 1wwv s ASP 27 Cb 0.08 0.17 0.11 0.00 1.01 0.00 0.00 42.92 44.29 1wwv s ASP 27 CO 0.45 -0.26 1.72 -2.24 0.21 0.00 0.00 175.17 175.05 1wwv h ASP 28 N 2.03 1.03 0.00 0.27 2.03 -1.86 -0.26 116.42 119.67 1wwv h ASP 28 Ca -0.11 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 1wwv h ASP 28 Cb 1.17 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1wwv h ASP 28 CO 0.24 0.98 0.40 0.28 -1.03 0.00 0.00 179.24 180.11 1wwv h SER 29 N 1.04 0.00 0.00 4.15 0.02 -1.96 0.12 113.55 116.91 1wwv h SER 29 Ca 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1wwv h SER 29 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1wwv h SER 29 CO -0.00 0.00 -1.43 0.18 -1.14 0.00 0.00 176.83 174.44 1wwv n LEU 30 N -2.45 0.00 0.10 5.07 4.77 -0.84 -4.52 117.00 119.13 1wwv n LEU 30 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1wwv n LEU 30 Cb 0.43 0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.97 1wwv n LEU 30 CO 0.08 0.12 0.70 0.00 -1.33 0.00 0.00 177.39 176.97 1wwv n GLN 31 N -2.12 0.08 -0.00 3.23 10.64 0.39 -1.06 117.38 128.54 1wwv n GLN 31 Ca -0.08 0.55 -0.18 0.00 -1.83 0.00 0.00 57.00 55.45 1wwv n GLN 31 Cb 0.58 -1.84 -0.09 0.00 -0.86 0.00 0.00 30.24 28.04 1wwv n GLN 31 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1wwv h ASP 32 N 0.00 0.86 -3.96 2.61 3.32 -1.75 -3.45 116.42 114.04 1wwv h ASP 32 Ca 0.00 -0.67 -0.54 0.00 0.02 0.00 0.00 57.03 55.84 1wwv h ASP 32 Cb 0.17 -0.26 0.11 0.00 0.22 0.00 0.00 39.33 39.58 1wwv h ASP 32 CO 0.00 1.40 0.77 -0.31 -1.72 0.00 0.00 179.24 179.38 1wwv s TYR 33 N -3.58 2.54 -1.17 4.55 2.02 -0.22 -4.85 117.35 116.64 1wwv s TYR 33 Ca -0.11 1.18 -0.23 0.00 -0.37 0.00 0.00 57.07 57.54 1wwv s TYR 33 Cb 0.07 -4.02 -0.09 0.00 -0.40 0.00 0.00 41.96 37.53 1wwv s TYR 33 CO 0.89 -3.03 1.94 -1.25 -1.57 0.00 0.00 175.55 172.53 1wwv s PRO 34 N -2.18 2.49 0.03 -1.71 0.04 -1.26 -4.75 135.00 127.66 1wwv s PRO 34 Ca 0.55 -1.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.23 1wwv s PRO 34 Cb -0.46 -5.23 -0.16 0.00 0.04 0.00 0.00 34.50 28.69 1wwv s PRO 34 CO 0.62 -3.96 1.41 0.74 0.04 0.00 0.00 177.00 175.85 1wwv h PHE 35 N 9.80 0.19 0.00 0.56 0.04 -1.90 -2.28 116.94 123.35 1wwv h PHE 35 Ca 0.21 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1wwv h PHE 35 Cb 0.94 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1wwv h PHE 35 CO 1.21 0.49 0.24 1.49 -0.60 0.00 0.00 178.31 181.14 1wwv h GLU 36 N -0.16 0.00 0.00 1.51 4.81 -1.91 0.42 114.58 119.25 1wwv h GLU 36 Ca 0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 1wwv h GLU 36 Cb 0.43 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1wwv h GLU 36 CO 0.01 0.00 -1.92 -3.47 -0.73 0.00 0.00 179.01 172.90 1wwv n ASP 37 N -2.45 0.31 0.23 1.04 2.03 -1.01 -4.19 116.55 112.52 1wwv n ASP 37 Ca -0.02 0.14 0.12 0.00 0.52 0.00 0.00 54.79 55.55 1wwv n ASP 37 Cb 0.28 0.98 0.72 0.00 -0.72 0.00 0.00 41.12 42.37 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1wwv h TRP 38 N 0.00 0.00 -6.49 -0.67 4.06 0.41 -3.45 115.95 109.82 1wwv h TRP 38 Ca -0.25 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.18 1wwv h TRP 38 Cb 1.65 0.00 -0.32 0.00 -1.00 0.00 0.00 29.16 29.49 1wwv h TRP 38 CO 0.00 0.00 -0.75 1.04 -3.56 0.00 0.00 178.44 175.17 1wwv n GLN 39 N -4.32 -0.81 -3.17 0.49 1.13 -1.20 -4.84 117.38 104.66 1wwv n GLN 39 Ca -0.01 0.11 -0.40 0.00 -1.94 0.00 0.00 57.00 54.76 1wwv n GLN 39 Cb 0.18 -3.97 -0.07 0.00 0.11 0.00 0.00 30.24 26.49 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 -6.21 4.09 0.68 1.08 2.96 -1.26 -4.86 118.68 115.17 1wwv s LEU 40 Ca 0.69 0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 1wwv s LEU 40 Cb -0.40 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.52 1wwv s LEU 40 CO 0.84 -0.29 1.11 -2.16 -1.32 0.00 0.00 176.35 174.53 1wwv s PRO 41 N 2.18 2.68 0.19 0.98 0.04 -1.26 -4.15 135.00 135.66 1wwv s PRO 41 Ca 0.25 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1wwv s PRO 41 Cb -0.16 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1wwv s PRO 41 CO 0.09 -1.34 1.86 0.78 0.04 0.00 0.00 177.00 178.43 1wwv h GLY 42 N -0.23 0.92 -0.26 0.56 0.00 -1.46 -0.13 103.07 102.47 1wwv h GLY 42 Ca -0.46 -0.34 0.28 0.00 0.00 0.00 0.00 47.33 46.81 1wwv h GLY 42 CO 0.53 0.33 0.65 0.07 0.00 0.00 0.00 176.54 178.12 1wwv h LYS 43 N 0.88 0.42 0.00 4.80 2.10 -1.36 0.24 116.57 123.66 1wwv h LYS 43 Ca 0.24 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 58.63 1wwv h LYS 43 Cb -0.09 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.10 1wwv h LYS 43 CO -0.06 0.28 -1.46 -0.91 -2.00 0.00 0.00 179.45 175.31 1wwv h ASN 44 N 0.43 0.00 -0.94 7.07 4.21 -1.71 -3.32 115.58 121.33 1wwv h ASN 44 Ca 0.65 0.00 0.12 0.00 1.21 0.00 0.00 56.30 58.27 1wwv h ASN 44 Cb 1.51 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.63 1wwv h ASN 44 CO -0.41 0.84 0.60 0.25 -1.29 0.00 0.00 177.43 177.43 1wwv h LEU 45 N 0.00 0.82 0.00 1.61 5.85 0.13 0.38 115.31 124.11 1wwv h LEU 45 Ca -0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1wwv h LEU 45 Cb 1.82 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1wwv h LEU 45 CO 0.07 0.45 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.41 1wwv h LEU 46 N 0.89 0.00 -0.45 2.25 3.38 -1.53 -3.15 115.31 116.69 1wwv h LEU 46 Ca 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1wwv h LEU 46 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wwv h LEU 46 CO -0.22 0.02 -0.63 0.00 0.09 0.00 0.00 178.44 177.71 1wwv n GLN 47 N -2.29 0.58 -0.67 1.13 6.02 0.57 -4.98 117.38 117.75 1wwv n GLN 47 Ca 0.05 -0.45 -0.32 0.00 -0.01 0.00 0.00 57.00 56.27 1wwv n GLN 47 Cb 0.44 -1.49 0.17 0.00 1.02 0.00 0.00 30.24 30.38 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wwv n LEU 48 N -0.81 -1.23 -3.90 1.08 4.77 0.10 -5.05 117.00 111.97 1wwv n LEU 48 Ca 0.07 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1wwv n LEU 48 Cb 0.39 -1.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 1wwv n LEU 48 CO 0.34 -3.21 -0.12 0.00 -1.33 0.00 0.00 177.39 173.07 1wwv h PRO 50 N 2.78 0.00 0.00 0.00 0.13 -1.98 -1.71 132.00 131.23 1wwv h PRO 50 Ca -0.34 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.61 1wwv h PRO 50 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1wwv h PRO 50 CO 0.57 0.04 -1.32 1.96 -0.23 0.00 0.00 178.00 179.02 1wwv h GLN 51 N 0.00 0.00 0.00 0.86 4.20 -1.96 -3.39 115.11 114.82 1wwv h GLN 51 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1wwv h GLN 51 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1wwv h GLN 51 CO 0.01 0.38 -0.24 1.03 -0.67 0.00 0.00 178.83 179.33 1wwv h SER 52 N 0.00 0.00 -1.19 1.46 0.87 -1.91 -3.33 113.55 109.45 1wwv h SER 52 Ca -0.15 -0.81 0.40 0.00 -1.23 0.00 0.00 61.79 60.00 1wwv h SER 52 Cb 1.63 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.48 1wwv h SER 52 CO 0.06 1.05 0.78 0.18 -0.53 0.00 0.00 176.83 178.36 1wwv n LEU 53 N -4.59 0.16 -0.20 2.23 4.77 -0.66 0.75 117.00 119.45 1wwv n LEU 53 Ca -0.13 1.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.94 1wwv n LEU 53 Cb 0.48 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1wwv n LEU 53 CO 0.28 -1.20 0.72 -0.33 -1.33 0.00 0.00 177.39 175.53 1wwv h GLU 54 N 0.00 -0.05 -0.84 3.23 5.08 -1.64 0.53 114.58 120.89 1wwv h GLU 54 Ca 0.73 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.34 1wwv h GLU 54 Cb 2.42 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.65 1wwv h GLU 54 CO -0.35 -0.03 0.69 0.00 -1.00 0.00 0.00 179.01 178.32 1wwv h ALA 55 N 1.46 2.72 -0.19 3.43 0.00 0.10 0.96 119.26 127.74 1wwv h ALA 55 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wwv h ALA 55 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wwv h ALA 55 CO -0.64 -1.12 0.00 1.28 0.00 0.00 0.00 179.25 178.77 1wwv n LEU 56 N -4.00 2.40 -0.66 0.00 4.77 0.18 -4.82 117.00 114.87 1wwv n LEU 56 Ca 0.17 -1.21 -0.07 0.00 -0.03 0.00 0.00 56.01 54.88 1wwv n LEU 56 Cb 0.98 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1wwv n LEU 56 CO 0.35 0.37 -0.08 0.00 -1.33 0.00 0.00 177.39 176.70 1wwv n ALA 57 N 0.20 -0.16 -3.72 -1.18 0.00 0.33 -4.98 120.51 111.00 1wwv n ALA 57 Ca 0.09 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1wwv n ALA 57 Cb 0.52 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 1wwv n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwv n VAL 58 N -3.55 2.46 -0.05 0.00 0.31 -0.97 -4.83 118.33 111.70 1wwv n VAL 58 Ca -0.07 -5.05 -0.19 0.00 -0.01 0.00 0.00 64.34 59.02 1wwv n VAL 58 Cb 0.43 -2.27 -0.13 0.00 -0.91 0.00 0.00 33.84 30.96 1wwv n VAL 58 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wwv n ARG 59 N 2.00 0.71 -1.51 5.55 5.12 -1.26 -2.97 116.66 124.30 1wwv n ARG 59 Ca 0.22 0.21 -0.41 0.00 -1.93 0.00 0.00 57.85 55.94 1wwv n ARG 59 Cb 0.36 -1.63 -0.09 0.00 -1.16 0.00 0.00 32.46 29.94 1wwv n ARG 59 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wwv n SER 60 N -3.36 1.29 -0.39 0.55 7.64 -1.26 -4.80 113.62 113.29 1wwv n SER 60 Ca -0.37 -0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.36 1wwv n SER 60 Cb 1.03 -1.21 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 1wwv n SER 60 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wwv n LEU 61 N 12.45 -0.98 -0.31 -3.43 -0.00 -1.26 -0.36 117.00 123.11 1wwv n LEU 61 Ca 0.52 1.69 0.03 0.00 -0.00 0.00 0.00 56.01 58.24 1wwv n LEU 61 Cb 0.25 -0.23 0.08 0.00 -0.00 0.00 0.00 43.42 43.52 1wwv n LEU 61 CO 0.83 -1.36 0.53 0.61 -0.00 0.00 0.00 177.39 177.99 1wwv n GLY 62 N -1.23 -1.52 0.21 -3.96 0.00 -1.26 0.10 105.19 97.53 1wwv n GLY 62 Ca 0.02 0.91 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 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 0.18 0.18 1.61 3.86 -1.07 -2.24 115.15 117.67 1wwv h HIS 63 Ca 0.36 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.61 1wwv h HIS 63 Cb 0.56 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 1wwv h HIS 63 CO -0.68 -0.01 -0.32 1.96 0.86 0.00 0.00 177.93 179.75 1wwv h GLN 64 N 0.25 -0.55 -0.68 2.45 4.20 0.87 -2.44 115.11 119.20 1wwv h GLN 64 Ca 0.28 0.04 0.15 0.00 0.06 0.00 0.00 58.65 59.17 1wwv h GLN 64 Cb 0.38 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.17 1wwv h GLN 64 CO -0.35 -0.37 -0.06 0.93 -0.67 0.00 0.00 178.83 178.31 1wwv h GLU 65 N -0.57 0.07 -0.24 1.46 3.07 -0.90 0.46 114.58 117.91 1wwv h GLU 65 Ca 0.02 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1wwv h GLU 65 Cb 0.58 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.40 1wwv h GLU 65 CO -0.15 0.04 -0.40 -0.07 -1.40 0.00 0.00 179.01 177.03 1wwv h LEU 66 N 0.07 -1.30 0.57 1.33 3.38 -0.95 0.24 115.31 118.65 1wwv h LEU 66 Ca 0.35 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 1wwv h LEU 66 Cb 0.58 0.55 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1wwv h LEU 66 CO -0.63 -0.39 -0.27 0.40 0.09 0.00 0.00 178.44 177.64 1wwv h ILE 67 N -0.41 0.00 -1.01 1.22 2.04 -0.97 -3.17 117.51 115.20 1wwv h ILE 67 Ca 0.11 -0.35 0.40 0.00 1.00 0.00 0.00 64.86 66.02 1wwv h ILE 67 Cb 0.60 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.50 1wwv h ILE 67 CO -0.46 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.18 1wwv h LEU 68 N -1.11 0.36 -0.75 1.44 -0.00 -0.05 0.72 115.31 115.91 1wwv h LEU 68 Ca -0.08 0.24 0.11 0.00 -0.00 0.00 0.00 57.88 58.15 1wwv h LEU 68 Cb 0.58 0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 41.40 1wwv h LEU 68 CO 0.13 -0.37 0.38 1.23 -0.00 0.00 0.00 178.44 179.80 1wwv h GLY 69 N 0.07 1.15 1.63 0.83 0.00 -0.50 0.66 103.07 106.91 1wwv h GLY 69 Ca 0.83 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 47.68 1wwv h GLY 69 CO -0.73 0.04 -1.07 -1.33 0.00 0.00 0.00 176.54 173.46 1wwv h GLY 70 N 0.62 0.34 0.78 4.60 0.00 0.36 -3.27 103.07 106.51 1wwv h GLY 70 Ca 0.38 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1wwv h GLY 70 CO -0.29 0.63 -0.11 -2.08 0.00 0.00 0.00 176.54 174.69 1wwv h VAL 71 N 0.14 0.85 -1.02 4.60 2.07 -0.69 -1.61 116.25 120.58 1wwv h VAL 71 Ca -0.10 -0.44 0.25 0.00 0.82 0.00 0.00 66.70 67.23 1wwv h VAL 71 Cb 1.75 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.52 1wwv h VAL 71 CO 0.18 0.10 0.65 1.05 0.02 0.00 0.00 177.57 179.56 1wwv h GLU 72 N -0.52 0.43 -0.01 1.57 4.11 -1.01 0.38 114.58 119.53 1wwv h GLU 72 Ca -0.03 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.18 1wwv h GLU 72 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wwv h GLU 72 CO 0.05 0.29 -0.82 1.96 0.07 0.00 0.00 179.01 180.55 1wwv h GLN 73 N 0.45 0.22 0.27 1.06 4.20 -1.56 -3.31 115.11 116.44 1wwv h GLN 73 Ca 0.59 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 1wwv h GLN 73 Cb 1.39 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.23 1wwv h GLN 73 CO -0.31 0.93 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.58 1wwv h LEU 74 N 0.13 -0.31 -1.48 1.46 3.38 0.72 -2.63 115.31 116.58 1wwv h LEU 74 Ca -0.04 -0.14 0.27 0.00 0.09 0.00 0.00 57.88 58.06 1wwv h LEU 74 Cb 1.43 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 1wwv h LEU 74 CO 0.13 -0.03 0.97 1.56 0.09 0.00 0.00 178.44 181.15 1wwv h GLN 75 N -0.60 0.00 0.06 1.13 4.20 -1.32 0.17 115.11 118.75 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 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wwv h GLN 75 CO 0.06 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.19 1wwv h ALA 76 N 0.92 -0.20 -0.60 3.87 0.00 -1.58 -3.06 119.26 118.61 1wwv h ALA 76 Ca 0.44 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1wwv h ALA 76 Cb 2.37 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 20.12 1wwv h ALA 76 CO -0.00 -0.19 0.20 1.37 0.00 0.00 0.00 179.25 180.63 1wwv h LEU 77 N -0.36 0.17 0.00 0.00 8.10 -1.13 -3.05 115.31 119.04 1wwv h LEU 77 Ca -0.01 0.09 0.00 0.00 0.11 0.00 0.00 57.88 58.07 1wwv h LEU 77 Cb 0.06 0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1wwv h LEU 77 CO 0.01 0.10 0.00 -0.24 -4.11 0.00 0.00 178.44 174.21 1wwv n SER 78 N -5.03 0.00 -4.26 0.17 2.88 0.49 -4.65 113.62 103.22 1wwv n SER 78 Ca 0.09 1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 58.31 1wwv n SER 78 Cb 0.29 -0.50 -0.17 0.00 -0.75 0.00 0.00 64.21 63.08 1wwv n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wwv s SER 79 N -2.45 3.06 -0.42 -3.46 0.15 -1.15 -4.61 113.70 104.83 1wwv s SER 79 Ca 0.00 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 1wwv s SER 79 Cb 0.00 -0.89 0.11 0.00 -1.71 0.00 0.00 66.02 63.53 1wwv s SER 79 CO 0.00 0.24 0.20 -0.13 1.20 0.00 0.00 173.24 174.75 1wwv s ARG 80 N -0.11 1.97 -0.02 5.44 0.52 -1.25 -4.33 118.95 121.17 1wwv s ARG 80 Ca -0.05 -1.90 -0.00 0.00 -0.52 0.00 0.00 55.73 53.25 1wwv s ARG 80 Cb -0.14 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 1wwv s ARG 80 CO 0.04 -1.06 -0.00 -0.07 0.02 0.00 0.00 175.30 174.23 1wwv h LEU 81 N 7.87 0.00 -7.43 2.53 3.38 -1.93 -3.49 115.31 116.25 1wwv h LEU 81 Ca -0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1wwv h LEU 81 Cb 1.03 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.54 1wwv h LEU 81 CO 0.67 0.09 -0.35 0.00 0.09 0.00 0.00 178.44 178.95 1wwv s GLN 82 N -1.11 0.39 -0.42 1.13 -2.07 -1.26 -5.13 119.66 111.19 1wwv s GLN 82 Ca -0.00 0.36 -0.04 0.00 -1.82 0.00 0.00 55.36 53.86 1wwv s GLN 82 Cb 0.00 0.19 0.11 0.00 -1.09 0.00 0.00 33.01 32.22 1wwv s GLN 82 CO 0.00 -0.06 0.23 0.95 -1.32 0.00 0.00 175.29 175.10 1wwv s THR 83 N 0.02 3.44 0.72 3.63 -4.23 -1.26 -5.09 115.64 112.86 1wwv s THR 83 Ca -0.01 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1wwv s THR 83 Cb -0.02 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1wwv s THR 83 CO 0.01 -0.71 1.09 -1.83 -0.54 0.00 0.00 174.62 172.64 1wwv s GLU 84 N 1.17 2.78 -0.13 3.99 -1.05 -1.26 -5.07 118.70 119.13 1wwv s GLU 84 Ca 0.08 0.57 0.02 0.00 -0.15 0.00 0.00 54.97 55.49 1wwv s GLU 84 Cb -0.23 -2.00 0.02 0.00 -0.44 0.00 0.00 34.13 31.47 1wwv s GLU 84 CO -0.04 -1.12 -0.17 0.54 0.95 0.00 0.00 175.26 175.43 1wwv s ASN 85 N -4.19 2.69 0.04 0.83 2.20 -1.26 -5.04 114.94 110.20 1wwv s ASN 85 Ca 0.58 -0.49 -0.28 0.00 -0.94 0.00 0.00 52.86 51.72 1wwv s ASN 85 Cb -0.12 -1.22 -0.16 0.00 -2.00 0.00 0.00 41.25 37.76 1wwv s ASN 85 CO 0.53 0.02 1.33 -1.28 -2.94 0.00 0.00 177.10 174.75 1wwv h SER 86 N 7.54 -0.87 -2.66 3.54 0.87 -2.05 -3.50 113.55 116.42 1wwv h SER 86 Ca -0.33 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1wwv h SER 86 Cb 1.17 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1wwv h SER 86 CO 0.52 -0.58 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 1wwv n GLY 87 N -1.23 4.37 0.00 5.77 0.00 -1.26 -4.89 105.19 107.95 1wwv n GLY 87 Ca -0.13 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.55 0.49 -1.50 1.61 -0.04 -1.26 -4.57 135.00 128.17 1wwv n PRO 88 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1wwv n PRO 88 Cb 0.00 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.85 1wwv n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wwv n SER 89 N -0.96 0.27 -2.27 3.54 3.41 -1.26 -0.61 113.62 115.74 1wwv n SER 89 Ca 0.11 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1wwv n SER 89 Cb 0.05 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1wwv n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wwv n SER 90 N 10.46 -0.88 0.00 4.04 7.64 -1.26 -5.24 113.62 128.38 1wwv n SER 90 Ca 0.64 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wwv n SER 90 Cb 0.08 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64