#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 -1.37 -4.50 1.61 3.41 -1.26 -4.92 113.62 106.59 1wwv n SER 2 Ca 0.00 -1.19 -0.33 0.00 -0.26 0.00 0.00 58.87 57.09 1wwv n SER 2 Cb 0.00 -1.94 -0.12 0.00 -0.26 0.00 0.00 64.21 61.88 1wwv n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wwv s SER 3 N -3.61 4.15 0.00 4.04 0.01 -1.26 -5.02 113.70 112.02 1wwv s SER 3 Ca 0.56 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wwv s SER 3 Cb -0.32 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.02 1wwv s SER 3 CO 0.99 0.33 0.00 0.61 0.41 0.00 0.00 173.24 175.58 1wwv n GLY 4 N 2.09 2.39 3.16 3.44 0.00 -1.26 -5.18 105.19 109.83 1wwv n GLY 4 Ca -0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1wwv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwv s SER 5 N 0.00 1.24 0.00 1.61 0.15 -1.26 -5.09 113.70 110.36 1wwv s SER 5 Ca 0.00 -0.89 -0.13 0.00 0.70 0.00 0.00 55.95 55.62 1wwv s SER 5 Cb 0.00 0.05 -0.07 0.00 -1.71 0.00 0.00 66.02 64.29 1wwv s SER 5 CO 0.00 -0.36 0.84 0.77 1.20 0.00 0.00 173.24 175.69 1wwv h SER 6 N 3.32 -0.41 0.00 5.45 4.64 -2.06 -3.46 113.55 121.02 1wwv h SER 6 Ca -0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1wwv h SER 6 Cb 1.18 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1wwv h SER 6 CO 0.58 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1wwv n GLY 7 N -0.21 0.52 3.18 -0.77 0.00 -1.26 -5.13 105.19 101.52 1wwv n GLY 7 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1wwv n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wwv s MET 8 N 2.40 0.49 0.73 1.61 0.00 -1.26 -5.15 119.30 118.11 1wwv s MET 8 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 55.69 55.56 1wwv s MET 8 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 34.83 35.09 1wwv s MET 8 CO 0.00 -0.11 1.20 -1.83 0.00 0.00 0.00 175.02 174.28 1wwv s GLU 9 N -0.71 2.18 0.48 3.16 -1.05 -1.26 -4.98 118.70 116.53 1wwv s GLU 9 Ca -0.08 1.72 -0.22 0.00 -0.15 0.00 0.00 54.97 56.24 1wwv s GLU 9 Cb -0.04 -1.84 -0.07 0.00 -0.44 0.00 0.00 34.13 31.73 1wwv s GLU 9 CO 0.02 -1.79 1.15 -1.25 0.95 0.00 0.00 175.26 174.34 1wwv s PRO 10 N -3.95 3.64 0.21 -4.83 0.04 -1.26 -4.92 135.00 123.93 1wwv s PRO 10 Ca 0.73 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 1wwv s PRO 10 Cb -0.28 -2.28 0.16 0.00 0.04 0.00 0.00 34.50 32.14 1wwv s PRO 10 CO 0.45 -0.64 1.71 0.28 0.04 0.00 0.00 177.00 178.85 1wwv h VAL 11 N 1.66 1.26 0.00 -0.36 2.07 -1.92 -2.05 116.25 116.92 1wwv h VAL 11 Ca -0.50 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1wwv h VAL 11 Cb 1.25 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1wwv h VAL 11 CO 0.59 0.38 0.21 -1.84 0.02 0.00 0.00 177.57 176.93 1wwv n GLU 12 N -4.22 0.10 -0.02 1.57 0.28 -1.26 -0.21 120.64 116.88 1wwv n GLU 12 Ca 0.04 0.59 0.02 0.00 -0.16 0.00 0.00 57.16 57.66 1wwv n GLU 12 Cb 0.29 -2.05 -0.09 0.00 1.43 0.00 0.00 31.44 31.01 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 -2.11 0.24 -1.26 3.84 -2.24 -0.83 -2.54 114.28 109.38 1wwv n THR 13 Ca -0.01 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1wwv n THR 13 Cb 0.23 -0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.07 -1.53 -2.87 4.78 7.02 0.70 -4.84 117.44 118.62 1wwv n TRP 14 Ca -0.07 0.34 -0.29 0.00 -1.02 0.00 0.00 57.50 56.47 1wwv n TRP 14 Cb 0.49 -1.84 -0.02 0.00 -2.42 0.00 0.00 31.31 27.52 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 -1.91 4.89 -2.00 -0.99 -4.23 -1.26 -2.33 115.64 107.80 1wwv s THR 15 Ca 0.62 0.31 0.11 0.00 -1.18 0.00 0.00 61.69 61.54 1wwv s THR 15 Cb -0.37 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.98 1wwv s THR 15 CO 0.61 -0.62 1.07 -0.81 -0.54 0.00 0.00 174.62 174.33 1wwv n PRO 16 N -1.65 0.49 -0.00 3.99 -0.04 -1.26 -2.15 135.00 134.38 1wwv n PRO 16 Ca 0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1wwv n PRO 16 Cb 0.54 -1.34 -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 -0.64 0.13 0.55 0.00 -1.26 -4.05 105.19 99.91 1wwv n GLY 17 Ca 0.08 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.74 0.70 -0.31 1.61 5.02 -0.91 -4.30 118.16 118.23 1wwv n LYS 18 Ca -0.00 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1wwv n LYS 18 Cb 0.34 -1.67 0.27 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.18 0.15 -1.21 -0.18 2.07 -1.79 0.40 116.25 115.50 1wwv h VAL 19 Ca -0.45 -0.03 0.44 0.00 0.82 0.00 0.00 66.70 67.48 1wwv h VAL 19 Cb 1.86 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 31.56 1wwv h VAL 19 CO -0.02 0.01 0.75 0.00 0.02 0.00 0.00 177.57 178.34 1wwv n ALA 20 N -2.96 1.21 0.16 1.67 0.00 -1.26 -0.20 120.51 119.13 1wwv n ALA 20 Ca 0.21 0.87 -0.07 0.00 0.00 0.00 0.00 53.44 54.45 1wwv n ALA 20 Cb 0.70 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1wwv n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wwv h THR 21 N 0.00 0.00 -0.95 0.00 2.02 -0.46 -2.48 112.91 111.04 1wwv h THR 21 Ca 0.83 -0.59 0.22 0.00 0.77 0.00 0.00 66.41 67.65 1wwv h THR 21 Cb 2.55 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.89 1wwv h THR 21 CO -0.53 0.00 0.62 -0.25 0.37 0.00 0.00 175.52 175.74 1wwv h TRP 22 N -1.07 0.58 -0.45 3.16 7.01 -0.89 0.14 115.95 124.42 1wwv h TRP 22 Ca -0.05 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.85 1wwv h TRP 22 Cb 0.37 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1wwv h TRP 22 CO 0.01 0.13 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.51 1wwv h LEU 23 N 0.41 0.96 -0.67 0.65 3.38 -0.64 -2.04 115.31 117.37 1wwv h LEU 23 Ca 0.51 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1wwv h LEU 23 Cb 1.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1wwv h LEU 23 CO -0.21 1.14 -0.10 -0.09 0.09 0.00 0.00 178.44 179.27 1wwv h ARG 24 N 0.78 0.93 -0.30 1.13 1.12 -0.30 -3.02 114.38 114.72 1wwv h ARG 24 Ca 0.10 -0.32 -0.12 0.00 -1.11 0.00 0.00 59.98 58.53 1wwv h ARG 24 Cb 0.77 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1wwv h ARG 24 CO 0.06 0.98 -0.30 0.78 -3.11 0.00 0.00 179.97 178.38 1wwv h GLY 25 N 0.96 0.68 -0.75 2.80 0.00 -1.07 -3.27 103.07 102.42 1wwv h GLY 25 Ca 0.14 -0.61 0.08 0.00 0.00 0.00 0.00 47.33 46.94 1wwv h GLY 25 CO 0.04 0.55 -0.39 1.04 0.00 0.00 0.00 176.54 177.78 1wwv n LEU 26 N -4.08 -0.69 -3.64 3.11 4.77 -0.77 -4.74 117.00 110.95 1wwv n LEU 26 Ca -0.01 1.32 -0.07 0.00 -0.03 0.00 0.00 56.01 57.23 1wwv n LEU 26 Cb 0.46 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1wwv n LEU 26 CO 0.44 -1.12 0.64 -1.81 -1.33 0.00 0.00 177.39 174.21 1wwv s ASP 27 N -5.34 -0.30 -0.05 -1.43 1.01 -1.23 -5.07 116.67 104.26 1wwv s ASP 27 Ca -0.09 -0.24 -0.25 0.00 0.71 0.00 0.00 52.55 52.67 1wwv s ASP 27 Cb 0.11 0.50 -0.22 0.00 1.01 0.00 0.00 42.92 44.32 1wwv s ASP 27 CO 0.49 -0.87 1.10 -0.78 0.21 0.00 0.00 175.17 175.31 1wwv h ASP 28 N 2.00 0.14 -0.56 0.27 1.82 -1.85 -0.54 116.42 117.70 1wwv h ASP 28 Ca -0.24 -0.69 0.16 0.00 -0.39 0.00 0.00 57.03 55.87 1wwv h ASP 28 Cb 1.25 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 1wwv h ASP 28 CO 0.29 0.80 0.72 0.28 -1.61 0.00 0.00 179.24 179.72 1wwv h SER 29 N -0.52 0.00 0.00 2.28 0.02 -1.97 0.23 113.55 113.59 1wwv h SER 29 Ca -0.01 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.57 1wwv h SER 29 Cb 0.80 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.28 1wwv h SER 29 CO 0.02 0.00 -2.40 0.18 -1.14 0.00 0.00 176.83 173.50 1wwv n LEU 30 N -3.41 1.09 0.16 5.07 4.77 -1.19 -4.31 117.00 119.18 1wwv n LEU 30 Ca 0.11 -0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1wwv n LEU 30 Cb 0.92 -0.02 0.46 0.00 -2.33 0.00 0.00 43.42 42.45 1wwv n LEU 30 CO 0.23 0.65 1.13 0.06 -1.33 0.00 0.00 177.39 178.13 1wwv h GLN 31 N 0.00 0.00 -0.14 3.23 -0.00 0.12 0.57 115.11 118.88 1wwv h GLN 31 Ca -0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.00 1wwv h GLN 31 Cb 2.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.58 1wwv h GLN 31 CO -0.01 0.00 -0.30 0.38 -0.00 0.00 0.00 178.83 178.90 1wwv h ASP 32 N 0.00 0.51 -1.98 0.06 2.03 -1.72 -3.46 116.42 111.86 1wwv h ASP 32 Ca 0.15 -0.56 -0.63 0.00 -0.73 0.00 0.00 57.03 55.27 1wwv h ASP 32 Cb 1.69 -0.15 0.11 0.00 -0.83 0.00 0.00 39.33 40.16 1wwv h ASP 32 CO -0.00 0.97 -0.15 -1.22 -1.03 0.00 0.00 179.24 177.82 1wwv n TYR 33 N -4.39 0.50 -2.07 4.15 4.02 0.20 -4.76 117.16 114.81 1wwv n TYR 33 Ca -0.07 0.78 -0.28 0.00 -0.01 0.00 0.00 57.90 58.32 1wwv n TYR 33 Cb 0.47 -2.13 -0.06 0.00 -0.02 0.00 0.00 39.34 37.61 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 -1.38 2.49 0.34 -0.72 0.04 -1.26 -4.70 135.00 129.81 1wwv s PRO 34 Ca 0.61 -1.18 0.17 0.00 0.04 0.00 0.00 61.00 60.63 1wwv s PRO 34 Cb -0.76 -5.25 0.55 0.00 0.04 0.00 0.00 34.50 29.08 1wwv s PRO 34 CO 0.58 -4.00 1.67 0.74 0.04 0.00 0.00 177.00 176.04 1wwv h PHE 35 N 9.70 0.00 0.00 0.56 0.04 -1.90 -2.78 116.94 122.56 1wwv h PHE 35 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1wwv h PHE 35 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1wwv h PHE 35 CO 1.21 0.44 0.00 0.39 -0.60 0.00 0.00 178.31 179.75 1wwv n GLU 36 N -3.53 0.13 -0.54 1.51 1.02 -1.26 -2.46 120.64 115.51 1wwv n GLU 36 Ca -0.00 0.31 0.04 0.00 -0.02 0.00 0.00 57.16 57.48 1wwv n GLU 36 Cb 0.56 -1.72 0.20 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.97 2.51 -0.11 1.62 8.00 -1.05 -4.62 116.55 120.93 1wwv n ASP 37 Ca 0.03 -3.53 -0.21 0.00 0.71 0.00 0.00 54.79 51.79 1wwv n ASP 37 Cb 0.25 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 1wwv n ASP 37 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1wwv n TRP 38 N -1.08 0.20 -3.98 1.24 7.02 -1.03 -5.00 117.44 114.82 1wwv n TRP 38 Ca 0.24 0.05 -0.31 0.00 -1.02 0.00 0.00 57.50 56.46 1wwv n TRP 38 Cb 0.84 -1.03 0.01 0.00 -2.42 0.00 0.00 31.31 28.72 1wwv n TRP 38 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1wwv n GLN 39 N -3.54 -4.93 -3.30 -0.99 6.02 -1.26 -4.92 117.38 104.46 1wwv n GLN 39 Ca -0.45 0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 1wwv n GLN 39 Cb 0.96 -5.36 -0.08 0.00 1.02 0.00 0.00 30.24 26.78 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 -7.25 4.37 0.46 1.08 2.96 -1.26 -4.90 118.68 114.14 1wwv s LEU 40 Ca 0.63 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 54.23 1wwv s LEU 40 Cb -0.32 -2.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 1wwv s LEU 40 CO 0.85 -0.42 1.17 -2.16 -1.32 0.00 0.00 176.35 174.47 1wwv s PRO 41 N 2.25 3.78 0.16 0.98 0.04 -1.26 -4.11 135.00 136.83 1wwv s PRO 41 Ca 0.16 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.81 1wwv s PRO 41 Cb -0.16 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 32.04 1wwv s PRO 41 CO 0.12 -0.54 1.67 0.78 0.04 0.00 0.00 177.00 179.07 1wwv h GLY 42 N 2.09 0.25 -1.07 0.56 0.00 -1.62 0.34 103.07 103.62 1wwv h GLY 42 Ca -0.49 0.14 0.42 0.00 0.00 0.00 0.00 47.33 47.40 1wwv h GLY 42 CO 0.60 -0.15 0.62 0.58 0.00 0.00 0.00 176.54 178.19 1wwv n LYS 43 N -5.31 -0.05 0.00 4.80 2.85 -1.05 0.91 118.16 120.32 1wwv n LYS 43 Ca 0.02 1.30 -0.16 0.00 -1.05 0.00 0.00 58.31 58.42 1wwv n LYS 43 Cb 0.22 -2.40 -0.14 0.00 -0.65 0.00 0.00 35.03 32.06 1wwv n LYS 43 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wwv h ASN 44 N 0.00 0.25 -1.08 -5.58 2.35 -1.52 -3.31 115.58 106.68 1wwv h ASN 44 Ca 0.83 -0.53 0.34 0.00 -0.55 0.00 0.00 56.30 56.40 1wwv h ASN 44 Cb 2.34 -0.08 -0.14 0.00 0.05 0.00 0.00 38.32 40.49 1wwv h ASN 44 CO -0.66 1.47 0.65 0.25 -1.65 0.00 0.00 177.43 177.48 1wwv h LEU 45 N 0.04 0.44 0.00 1.61 5.85 0.26 1.51 115.31 125.02 1wwv h LEU 45 Ca -0.34 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1wwv h LEU 45 Cb 2.02 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 43.17 1wwv h LEU 45 CO 0.10 -0.12 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.38 1wwv h LEU 46 N 0.27 0.00 -3.54 2.25 3.38 -1.57 -3.27 115.31 112.82 1wwv h LEU 46 Ca 0.74 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.61 1wwv h LEU 46 Cb 1.88 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.57 1wwv h LEU 46 CO -0.52 0.16 0.10 0.00 0.09 0.00 0.00 178.44 178.27 1wwv n GLN 47 N -2.94 3.78 -0.57 1.13 6.02 0.47 -4.98 117.38 120.28 1wwv n GLN 47 Ca 0.00 -3.07 -0.20 0.00 -0.01 0.00 0.00 57.00 53.73 1wwv n GLN 47 Cb 0.61 -2.12 0.17 0.00 1.02 0.00 0.00 30.24 29.93 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 -0.07 0.00 -3.50 1.08 4.77 0.16 -4.97 117.00 114.47 1wwv n LEU 48 Ca 0.32 -0.73 -0.10 0.00 -0.03 0.00 0.00 56.01 55.47 1wwv n LEU 48 Cb 1.19 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1wwv n LEU 48 CO 0.32 -1.91 0.50 0.00 -1.33 0.00 0.00 177.39 174.97 1wwv h PRO 50 N 2.00 0.00 0.10 0.00 0.13 -1.98 -1.40 132.00 130.85 1wwv h PRO 50 Ca -0.29 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.53 1wwv h PRO 50 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wwv h PRO 50 CO 0.34 0.11 -1.64 0.37 -0.23 0.00 0.00 178.00 176.95 1wwv h GLN 51 N 0.00 0.22 -0.02 0.86 4.15 -1.96 -3.36 115.11 115.00 1wwv h GLN 51 Ca -0.00 -0.37 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 1wwv h GLN 51 Cb 0.57 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1wwv h GLN 51 CO 0.01 1.05 -0.27 1.03 -1.93 0.00 0.00 178.83 178.72 1wwv h SER 52 N 0.06 0.27 -1.22 -0.69 0.87 -1.92 -3.24 113.55 107.67 1wwv h SER 52 Ca -0.28 -0.73 0.41 0.00 -1.23 0.00 0.00 61.79 59.96 1wwv h SER 52 Cb 2.02 -0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.76 1wwv h SER 52 CO 0.14 0.96 0.76 -0.07 -0.53 0.00 0.00 176.83 178.09 1wwv h LEU 53 N -0.40 0.30 -0.92 2.23 3.38 -1.43 0.62 115.31 119.09 1wwv h LEU 53 Ca -0.03 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.30 1wwv h LEU 53 Cb 0.98 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1wwv h LEU 53 CO 0.05 -0.19 0.47 -0.33 0.09 0.00 0.00 178.44 178.54 1wwv h GLU 54 N 0.13 0.53 -0.85 1.13 5.08 -1.39 0.27 114.58 119.48 1wwv h GLU 54 Ca 0.80 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 59.29 1wwv h GLU 54 Cb 2.34 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 31.41 1wwv h GLU 54 CO -0.47 0.35 0.56 0.00 -1.00 0.00 0.00 179.01 178.44 1wwv h ALA 55 N 1.67 2.02 -0.32 3.43 0.00 0.07 0.22 119.26 126.35 1wwv h ALA 55 Ca 0.55 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.33 1wwv h ALA 55 Cb 0.97 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1wwv h ALA 55 CO -0.46 -0.27 0.18 1.28 0.00 0.00 0.00 179.25 179.99 1wwv n LEU 56 N -4.52 3.97 -2.20 0.00 4.77 0.90 -4.80 117.00 115.12 1wwv n LEU 56 Ca 0.17 -2.05 -0.16 0.00 -0.03 0.00 0.00 56.01 53.93 1wwv n LEU 56 Cb 0.55 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1wwv n LEU 56 CO 0.31 0.63 -0.02 0.00 -1.33 0.00 0.00 177.39 176.97 1wwv n ALA 57 N -0.02 -0.68 -3.77 -1.18 0.00 0.75 -4.98 120.51 110.64 1wwv n ALA 57 Ca 0.19 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 1wwv n ALA 57 Cb 0.84 -2.86 -0.12 0.00 0.00 0.00 0.00 19.45 17.32 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 -2.98 1.99 -0.23 0.00 1.01 -0.99 -4.89 120.40 114.30 1wwv s VAL 58 Ca 0.20 -3.38 -0.01 0.00 0.00 0.00 0.00 61.98 58.79 1wwv s VAL 58 Cb -0.09 -2.35 -0.14 0.00 0.00 0.00 0.00 36.38 33.81 1wwv s VAL 58 CO 0.24 -0.98 -0.22 0.54 0.00 0.00 0.00 175.10 174.68 1wwv n ARG 59 N 2.73 0.56 -1.60 2.72 1.74 -1.26 -1.83 116.66 119.72 1wwv n ARG 59 Ca 0.16 0.15 -0.51 0.00 -0.77 0.00 0.00 57.85 56.88 1wwv n ARG 59 Cb 0.37 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.34 1.79 0.42 0.55 7.64 -1.26 -4.90 113.62 114.53 1wwv n SER 60 Ca -0.42 1.12 -0.17 0.00 1.01 0.00 0.00 58.87 60.40 1wwv n SER 60 Cb 0.91 -1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 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 4.67 -0.93 -0.74 -3.43 7.12 -1.99 -2.63 115.31 117.39 1wwv h LEU 61 Ca -0.47 0.02 0.11 0.00 0.13 0.00 0.00 57.88 57.67 1wwv h LEU 61 Cb 1.33 0.24 -0.12 0.00 -0.53 0.00 0.00 40.66 41.58 1wwv h LEU 61 CO 0.79 -0.58 -0.31 0.61 -0.13 0.00 0.00 178.44 178.82 1wwv n GLY 62 N -1.10 -1.58 0.07 3.75 0.00 -1.26 0.67 105.19 105.74 1wwv n GLY 62 Ca -0.14 0.84 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 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 0.09 -0.41 1.61 3.86 -1.94 -2.67 115.15 115.68 1wwv h HIS 63 Ca 0.24 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.52 1wwv h HIS 63 Cb 0.42 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 1wwv h HIS 63 CO -0.67 0.05 0.07 1.96 0.86 0.00 0.00 177.93 180.21 1wwv h GLN 64 N 0.10 0.19 -0.62 2.45 4.20 0.63 -1.95 115.11 120.11 1wwv h GLN 64 Ca 0.04 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.85 1wwv h GLN 64 Cb 0.00 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 1wwv h GLN 64 CO -0.02 0.12 0.14 1.49 -0.67 0.00 0.00 178.83 179.89 1wwv h GLU 65 N 0.19 0.26 -0.16 1.46 4.81 -0.34 0.38 114.58 121.18 1wwv h GLU 65 Ca 0.20 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1wwv h GLU 65 Cb 0.25 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1wwv h GLU 65 CO -0.28 0.17 -0.26 -0.07 -0.73 0.00 0.00 179.01 177.84 1wwv h LEU 66 N 0.27 -0.83 0.39 1.64 3.38 -1.03 0.33 115.31 119.46 1wwv h LEU 66 Ca 0.33 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 1wwv h LEU 66 Cb 0.50 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1wwv h LEU 66 CO -0.42 -0.31 -0.18 0.40 0.09 0.00 0.00 178.44 178.02 1wwv h ILE 67 N -0.32 0.00 -0.95 1.22 2.04 -1.14 -2.90 117.51 115.46 1wwv h ILE 67 Ca 0.11 -0.28 0.29 0.00 1.00 0.00 0.00 64.86 65.97 1wwv h ILE 67 Cb 0.48 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.40 1wwv h ILE 67 CO -0.34 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 177.96 1wwv h LEU 68 N -0.80 -0.12 -0.07 1.44 3.38 -0.26 0.25 115.31 119.13 1wwv h LEU 68 Ca -0.05 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wwv h LEU 68 Cb 0.40 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1wwv h LEU 68 CO 0.09 -0.29 -0.05 1.23 0.09 0.00 0.00 178.44 179.51 1wwv h GLY 69 N 0.09 0.02 1.06 0.83 0.00 -0.38 -1.72 103.07 102.97 1wwv h GLY 69 Ca 0.63 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.95 1wwv h GLY 69 CO -0.78 -0.06 0.15 -1.33 0.00 0.00 0.00 176.54 174.52 1wwv h GLY 70 N -0.06 1.21 0.82 4.60 0.00 -0.39 -2.98 103.07 106.27 1wwv h GLY 70 Ca 0.05 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.64 1wwv h GLY 70 CO -0.11 0.72 0.42 -2.08 0.00 0.00 0.00 176.54 175.48 1wwv h VAL 71 N 1.05 1.06 -0.90 4.60 2.07 -0.75 -2.20 116.25 121.18 1wwv h VAL 71 Ca 0.22 -0.27 0.24 0.00 0.82 0.00 0.00 66.70 67.70 1wwv h VAL 71 Cb 0.39 0.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 1wwv h VAL 71 CO 0.01 0.15 0.36 -0.33 0.02 0.00 0.00 177.57 177.77 1wwv h GLU 72 N 0.80 0.31 -0.31 1.57 5.08 -1.15 0.46 114.58 121.34 1wwv h GLU 72 Ca 0.28 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1wwv h GLU 72 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wwv h GLU 72 CO -0.13 0.21 -0.30 1.96 -1.00 0.00 0.00 179.01 179.75 1wwv h GLN 73 N 0.32 0.65 0.43 2.33 7.50 -1.48 -3.23 115.11 121.63 1wwv h GLN 73 Ca 0.58 -0.28 -0.02 0.00 0.50 0.00 0.00 58.65 59.43 1wwv h GLN 73 Cb 1.16 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1wwv h GLN 73 CO -0.58 0.87 -0.21 -0.07 -1.50 0.00 0.00 178.83 177.34 1wwv h LEU 74 N 0.55 -0.49 -1.74 1.46 3.38 0.05 -2.50 115.31 116.02 1wwv h LEU 74 Ca 0.07 -0.05 0.41 0.00 0.09 0.00 0.00 57.88 58.39 1wwv h LEU 74 Cb 0.79 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1wwv h LEU 74 CO 0.06 -0.25 1.15 1.56 0.09 0.00 0.00 178.44 181.06 1wwv h GLN 75 N -0.72 0.00 0.01 1.13 4.20 -1.16 0.14 115.11 118.70 1wwv h GLN 75 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wwv h GLN 75 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1wwv h GLN 75 CO 0.10 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1wwv h ALA 76 N 1.01 -0.17 -0.75 3.87 0.00 -1.51 -2.95 119.26 118.77 1wwv h ALA 76 Ca 0.66 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.74 1wwv h ALA 76 Cb 2.96 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 20.64 1wwv h ALA 76 CO -0.01 -0.16 0.13 1.37 0.00 0.00 0.00 179.25 180.58 1wwv h LEU 77 N -0.06 -0.10 -0.10 0.00 8.10 -1.08 -0.95 115.31 121.11 1wwv h LEU 77 Ca -0.00 0.17 0.04 0.00 0.11 0.00 0.00 57.88 58.20 1wwv h LEU 77 Cb 0.01 0.25 -0.05 0.00 -0.44 0.00 0.00 40.66 40.43 1wwv h LEU 77 CO 0.00 -0.10 -0.20 -1.28 -4.11 0.00 0.00 178.44 172.76 1wwv h SER 78 N 0.21 -0.61 -2.83 0.17 0.87 -0.93 -3.35 113.55 107.08 1wwv h SER 78 Ca 0.42 0.10 -0.62 0.00 -1.23 0.00 0.00 61.79 60.46 1wwv h SER 78 Cb 0.75 0.27 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 1wwv h SER 78 CO -0.57 -0.25 0.53 -0.94 -0.53 0.00 0.00 176.83 175.07 1wwv s SER 79 N -5.00 6.22 0.09 6.23 1.04 -0.36 -4.79 113.70 117.13 1wwv s SER 79 Ca -0.15 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.51 1wwv s SER 79 Cb 0.10 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1wwv s SER 79 CO 0.67 -1.36 -0.09 -0.13 0.98 0.00 0.00 173.24 173.31 1wwv s ARG 80 N 3.99 0.79 0.20 4.02 1.81 -1.26 -4.78 118.95 123.71 1wwv s ARG 80 Ca 0.24 -1.12 -0.09 0.00 -1.72 0.00 0.00 55.73 53.04 1wwv s ARG 80 Cb -0.16 -0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 33.89 1wwv s ARG 80 CO 0.13 0.06 0.33 -0.51 -0.68 0.00 0.00 175.30 174.63 1wwv s LEU 81 N -2.39 0.76 -0.02 2.53 1.43 -1.26 -5.17 118.68 114.56 1wwv s LEU 81 Ca 0.04 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1wwv s LEU 81 Cb -0.03 1.29 0.02 0.00 0.03 0.00 0.00 46.19 47.50 1wwv s LEU 81 CO -0.01 -0.97 0.02 -1.10 0.23 0.00 0.00 176.35 174.52 1wwv s GLN 82 N -4.01 0.02 0.12 1.70 -0.21 -1.26 -5.05 119.66 110.96 1wwv s GLN 82 Ca 0.22 0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.48 1wwv s GLN 82 Cb 0.02 -0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.75 1wwv s GLN 82 CO 0.04 -0.12 1.67 1.15 -2.12 0.00 0.00 175.29 175.92 1wwv h THR 83 N 5.97 0.63 -3.86 -0.19 2.02 -2.02 -3.42 112.91 112.03 1wwv h THR 83 Ca -0.40 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.10 1wwv h THR 83 Cb 1.15 0.63 -0.21 0.00 -1.74 0.00 0.00 68.15 67.97 1wwv h THR 83 CO 0.49 0.00 -0.75 -1.61 0.37 0.00 0.00 175.52 174.02 1wwv s GLU 84 N -6.13 2.44 -0.44 6.66 2.02 -1.26 -5.06 118.70 116.93 1wwv s GLU 84 Ca -0.15 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.82 1wwv s GLU 84 Cb 0.09 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1wwv s GLU 84 CO 0.66 0.60 1.93 1.21 0.02 0.00 0.00 175.26 179.69 1wwv s ASN 85 N -1.09 5.44 0.12 -0.19 2.47 -1.26 -4.88 114.94 115.55 1wwv s ASN 85 Ca 0.14 0.97 -0.25 0.00 0.42 0.00 0.00 52.86 54.13 1wwv s ASN 85 Cb -0.11 -2.52 0.08 0.00 -1.45 0.00 0.00 41.25 37.25 1wwv s ASN 85 CO 0.04 -2.12 1.08 -0.55 -3.72 0.00 0.00 177.10 171.82 1wwv s SER 86 N 7.78 -0.08 0.41 -4.21 0.15 -1.26 -5.19 113.70 111.29 1wwv s SER 86 Ca 0.79 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1wwv s SER 86 Cb -0.19 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wwv s SER 86 CO 0.28 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1wwv n GLY 87 N -0.58 0.61 3.56 9.45 0.00 -1.26 -4.96 105.19 112.02 1wwv n GLY 87 Ca -0.05 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.17 2.56 -0.10 1.61 0.04 -1.26 -4.92 135.00 130.77 1wwv s PRO 88 Ca 0.00 -0.33 -0.41 0.00 0.04 0.00 0.00 61.00 60.30 1wwv s PRO 88 Cb 0.00 -5.07 -0.20 0.00 0.04 0.00 0.00 34.50 29.27 1wwv s PRO 88 CO 0.00 -3.40 1.22 0.45 0.04 0.00 0.00 177.00 175.31 1wwv n SER 89 N 13.97 0.45 -4.68 6.66 2.88 -1.26 -4.73 113.62 126.91 1wwv n SER 89 Ca 0.40 1.16 -0.49 0.00 -1.33 0.00 0.00 58.87 58.61 1wwv n SER 89 Cb 0.47 -0.94 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1wwv n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wwv n SER 90 N 2.20 3.37 0.00 -3.46 7.64 -1.26 -5.31 113.62 116.79 1wwv n SER 90 Ca 0.22 0.96 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1wwv n SER 90 Cb 0.06 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64