#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 6.71 0.28 1.61 0.01 -1.26 -4.96 113.70 116.10 1wwv s SER 2 Ca 0.00 1.33 0.01 0.00 1.31 0.00 0.00 55.95 58.61 1wwv s SER 2 Cb 0.00 -2.40 0.68 0.00 0.21 0.00 0.00 66.02 64.51 1wwv s SER 2 CO 0.00 -0.32 1.67 0.77 0.41 0.00 0.00 173.24 175.77 1wwv h SER 3 N 1.80 0.09 -0.64 2.44 4.64 -2.12 -3.45 113.55 116.31 1wwv h SER 3 Ca -0.48 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1wwv h SER 3 Cb 1.18 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1wwv h SER 3 CO 0.64 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1wwv n GLY 4 N -1.36 1.80 3.16 -0.77 0.00 -1.26 -5.19 105.19 101.58 1wwv n GLY 4 Ca 0.20 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.46 0.08 0.02 1.61 0.15 -1.26 -5.08 113.70 108.76 1wwv s SER 5 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1wwv s SER 5 Cb 0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1wwv s SER 5 CO 0.00 -0.55 0.00 -1.20 1.20 0.00 0.00 173.24 172.69 1wwv n SER 6 N 0.67 0.16 0.00 5.45 7.64 -1.26 -5.14 113.62 121.15 1wwv n SER 6 Ca -0.19 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wwv n SER 6 Cb 0.59 -0.04 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 2.95 -1.45 2.67 0.23 0.00 -1.26 -5.10 105.19 103.24 1wwv n GLY 7 Ca 0.00 0.60 -0.27 0.00 0.00 0.00 0.00 46.02 46.35 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wwv s MET 8 N 0.00 0.35 0.41 1.61 -2.45 -1.26 -5.14 119.30 112.83 1wwv s MET 8 Ca 0.00 -0.29 -0.12 0.00 -1.25 0.00 0.00 55.69 54.03 1wwv s MET 8 Cb 0.00 -1.92 -0.07 0.00 1.25 0.00 0.00 34.83 34.09 1wwv s MET 8 CO 0.00 -0.69 0.80 -1.83 1.05 0.00 0.00 175.02 174.35 1wwv s GLU 9 N 2.00 3.83 0.48 4.11 -1.05 -1.26 -5.05 118.70 121.76 1wwv s GLU 9 Ca 0.01 0.56 -0.22 0.00 -0.15 0.00 0.00 54.97 55.17 1wwv s GLU 9 Cb -0.17 -2.36 -0.07 0.00 -0.44 0.00 0.00 34.13 31.10 1wwv s GLU 9 CO -0.11 -0.05 1.15 -1.25 0.95 0.00 0.00 175.26 175.95 1wwv s PRO 10 N -3.80 3.66 0.25 -4.83 0.04 -1.26 -4.89 135.00 124.16 1wwv s PRO 10 Ca 0.53 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.31 1wwv s PRO 10 Cb -0.10 -2.30 0.29 0.00 0.04 0.00 0.00 34.50 32.43 1wwv s PRO 10 CO 0.30 -0.62 1.63 0.28 0.04 0.00 0.00 177.00 178.62 1wwv h VAL 11 N 1.70 1.31 0.00 -0.36 2.07 -1.92 -2.67 116.25 116.37 1wwv h VAL 11 Ca -0.49 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1wwv h VAL 11 Cb 1.25 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1wwv h VAL 11 CO 0.59 0.49 0.19 -1.84 0.02 0.00 0.00 177.57 177.02 1wwv n GLU 12 N -4.02 0.10 -0.02 1.57 0.28 -1.26 -0.35 120.64 116.94 1wwv n GLU 12 Ca -0.02 0.58 0.02 0.00 -0.16 0.00 0.00 57.16 57.58 1wwv n GLU 12 Cb 0.51 -2.02 -0.09 0.00 1.43 0.00 0.00 31.44 31.26 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 -2.08 0.29 -1.11 3.84 -2.24 -1.03 -2.56 114.28 109.39 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 0.22 -0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.10 -3.48 -3.10 4.78 7.02 0.53 -4.79 117.44 116.30 1wwv n TRP 14 Ca -0.08 0.20 -0.27 0.00 -1.02 0.00 0.00 57.50 56.33 1wwv n TRP 14 Cb 0.52 -1.62 -0.02 0.00 -2.42 0.00 0.00 31.31 27.77 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 -2.01 4.99 -2.00 -0.99 -4.23 -1.26 -2.31 115.64 107.83 1wwv s THR 15 Ca 0.51 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1wwv s THR 15 Cb -0.31 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.03 1wwv s THR 15 CO 0.72 -0.56 1.08 -0.81 -0.54 0.00 0.00 174.62 174.52 1wwv n PRO 16 N -1.58 0.49 -0.00 3.99 -0.04 -1.26 -2.16 135.00 134.44 1wwv n PRO 16 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1wwv n PRO 16 Cb 0.55 -1.34 -0.12 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 -0.02 -0.69 0.14 0.55 0.00 -1.26 -4.02 105.19 99.88 1wwv n GLY 17 Ca 0.08 -0.44 -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 -1.77 0.73 -0.33 1.61 5.02 -0.92 -4.26 118.16 118.24 1wwv n LYS 18 Ca -0.00 0.24 0.18 0.00 -2.02 0.00 0.00 58.31 56.71 1wwv n LYS 18 Cb 0.36 -1.66 0.39 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.02 0.43 -1.19 -0.18 2.07 -1.78 0.41 116.25 116.03 1wwv h VAL 19 Ca -0.47 -0.15 0.34 0.00 0.82 0.00 0.00 66.70 67.24 1wwv h VAL 19 Cb 1.98 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1wwv h VAL 19 CO 0.03 0.08 0.83 0.00 0.02 0.00 0.00 177.57 178.53 1wwv h ALA 20 N 1.77 2.88 0.25 1.67 0.00 -1.80 0.54 119.26 124.57 1wwv h ALA 20 Ca 0.65 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.22 1wwv h ALA 20 Cb 1.33 0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1wwv h ALA 20 CO -0.54 -1.27 -1.52 1.15 0.00 0.00 0.00 179.25 177.07 1wwv h THR 21 N 0.11 1.23 0.00 0.00 2.02 -0.43 -2.54 112.91 113.30 1wwv h THR 21 Ca 0.61 -2.66 -0.07 0.00 0.77 0.00 0.00 66.41 65.05 1wwv h THR 21 Cb 2.15 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 71.55 1wwv h THR 21 CO -0.12 0.82 -0.34 -0.25 0.37 0.00 0.00 175.52 176.00 1wwv h TRP 22 N 0.13 0.00 0.00 3.16 7.01 -0.40 -1.92 115.95 123.92 1wwv h TRP 22 Ca -0.27 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.73 1wwv h TRP 22 Cb 2.15 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 29.21 1wwv h TRP 22 CO 0.13 0.34 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.03 1wwv h LEU 23 N 0.00 0.00 -2.29 0.65 3.38 -0.19 -2.55 115.31 114.31 1wwv h LEU 23 Ca -0.00 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1wwv h LEU 23 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wwv h LEU 23 CO 0.04 0.90 -0.03 0.08 0.09 0.00 0.00 178.44 179.52 1wwv h ARG 24 N -1.00 0.00 0.09 1.13 -0.00 -1.49 -2.49 114.38 110.62 1wwv h ARG 24 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.68 1wwv h ARG 24 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.75 1wwv h ARG 24 CO -0.00 0.03 -1.55 0.78 -0.00 0.00 0.00 179.97 179.23 1wwv h GLY 25 N 0.71 0.21 -0.87 0.08 0.00 -1.43 -3.36 103.07 98.41 1wwv h GLY 25 Ca -0.00 -0.53 0.29 0.00 0.00 0.00 0.00 47.33 47.09 1wwv h GLY 25 CO 0.00 0.46 0.22 1.04 0.00 0.00 0.00 176.54 178.26 1wwv n LEU 26 N -3.37 0.08 -3.59 3.11 4.77 -0.94 -4.67 117.00 112.39 1wwv n LEU 26 Ca -0.16 1.46 -0.05 0.00 -0.03 0.00 0.00 56.01 57.23 1wwv n LEU 26 Cb 1.04 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1wwv n LEU 26 CO 0.48 -1.55 0.98 -1.81 -1.33 0.00 0.00 177.39 174.17 1wwv s ASP 27 N -4.82 -0.16 0.09 -1.43 1.01 -1.26 -5.05 116.67 105.05 1wwv s ASP 27 Ca -0.10 0.05 -0.19 0.00 0.71 0.00 0.00 52.55 53.03 1wwv s ASP 27 Cb 0.27 0.16 -0.08 0.00 1.01 0.00 0.00 42.92 44.29 1wwv s ASP 27 CO 0.68 -0.24 1.57 -2.24 0.21 0.00 0.00 175.17 175.15 1wwv h ASP 28 N 2.07 0.39 0.00 0.27 2.03 -1.83 -1.93 116.42 117.42 1wwv h ASP 28 Ca -0.11 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1wwv h ASP 28 Cb 1.17 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1wwv h ASP 28 CO 0.24 0.53 0.34 0.28 -1.03 0.00 0.00 179.24 179.61 1wwv h SER 29 N 0.22 0.00 0.00 4.15 0.02 -1.96 0.52 113.55 116.50 1wwv h SER 29 Ca 0.08 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 1wwv h SER 29 Cb 0.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1wwv h SER 29 CO 0.00 0.00 -2.17 0.18 -1.14 0.00 0.00 176.83 173.70 1wwv n LEU 30 N -2.54 0.00 0.16 5.07 4.77 -0.89 -4.26 117.00 119.31 1wwv n LEU 30 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1wwv n LEU 30 Cb 0.38 0.25 0.43 0.00 -2.33 0.00 0.00 43.42 42.14 1wwv n LEU 30 CO 0.10 0.25 0.80 0.00 -1.33 0.00 0.00 177.39 177.21 1wwv n GLN 31 N -2.49 0.10 0.08 3.23 6.02 0.18 -1.52 117.38 122.99 1wwv n GLN 31 Ca -0.18 0.59 -0.13 0.00 -0.01 0.00 0.00 57.00 57.27 1wwv n GLN 31 Cb 0.85 -2.04 -0.08 0.00 1.02 0.00 0.00 30.24 29.99 1wwv n GLN 31 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1wwv h ASP 32 N 0.00 -0.20 -2.47 1.08 3.58 -1.74 -3.45 116.42 113.23 1wwv h ASP 32 Ca 0.00 -0.30 -0.61 0.00 0.42 0.00 0.00 57.03 56.54 1wwv h ASP 32 Cb 0.39 0.05 0.09 0.00 1.72 0.00 0.00 39.33 41.58 1wwv h ASP 32 CO 0.00 0.24 0.36 -1.22 -2.88 0.00 0.00 179.24 175.73 1wwv n TYR 33 N -5.00 1.66 -2.07 0.28 4.01 -0.57 -4.80 117.16 110.67 1wwv n TYR 33 Ca -0.09 0.60 -0.28 0.00 -0.16 0.00 0.00 57.90 57.97 1wwv n TYR 33 Cb 0.25 -2.34 -0.06 0.00 -0.31 0.00 0.00 39.34 36.88 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 -0.91 2.51 0.32 -0.72 0.04 -1.26 -4.71 135.00 130.27 1wwv s PRO 34 Ca 0.65 -1.02 0.26 0.00 0.04 0.00 0.00 61.00 60.93 1wwv s PRO 34 Cb -0.71 -5.21 0.94 0.00 0.04 0.00 0.00 34.50 29.55 1wwv s PRO 34 CO 0.55 -3.88 1.77 0.74 0.04 0.00 0.00 177.00 176.22 1wwv h PHE 35 N 9.98 0.00 0.00 0.56 0.04 -1.90 -2.75 116.94 122.87 1wwv h PHE 35 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1wwv h PHE 35 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1wwv h PHE 35 CO 1.21 0.00 0.00 0.93 -0.60 0.00 0.00 178.31 179.85 1wwv h GLU 36 N 0.00 0.00 -0.26 1.51 5.08 -1.89 -3.19 114.58 115.83 1wwv h GLU 36 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wwv h GLU 36 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wwv h GLU 36 CO 0.00 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 1wwv n ASP 37 N -3.02 3.39 -0.03 1.42 -0.08 -1.05 -4.59 116.55 112.58 1wwv n ASP 37 Ca 0.04 -2.64 -0.19 0.00 -1.51 0.00 0.00 54.79 50.49 1wwv n ASP 37 Cb 0.52 -0.41 -0.13 0.00 2.34 0.00 0.00 41.12 43.44 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1wwv h TRP 38 N 1.68 0.23 -4.86 -0.67 4.06 -1.51 -3.48 115.95 111.40 1wwv h TRP 38 Ca 0.00 -0.17 -0.41 0.00 2.06 0.00 0.00 58.89 60.37 1wwv h TRP 38 Cb 1.14 -0.01 0.08 0.00 -1.00 0.00 0.00 29.16 29.37 1wwv h TRP 38 CO 0.35 1.36 -0.63 1.04 -3.56 0.00 0.00 178.44 177.00 1wwv n GLN 39 N -4.26 -5.71 -3.22 0.49 6.02 -1.26 -4.95 117.38 104.49 1wwv n GLN 39 Ca -0.21 0.89 -0.41 0.00 -0.01 0.00 0.00 57.00 57.25 1wwv n GLN 39 Cb 0.73 -5.80 -0.08 0.00 1.02 0.00 0.00 30.24 26.11 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 -6.86 4.27 0.73 1.08 2.96 -1.26 -4.89 118.68 114.71 1wwv s LEU 40 Ca 0.38 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 1wwv s LEU 40 Cb -0.17 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 43.92 1wwv s LEU 40 CO 0.47 -0.46 1.10 -2.16 -1.32 0.00 0.00 176.35 173.98 1wwv s PRO 41 N 2.43 2.47 0.08 0.98 0.04 -1.26 -4.18 135.00 135.56 1wwv s PRO 41 Ca 0.20 1.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1wwv s PRO 41 Cb -0.15 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1wwv s PRO 41 CO 0.13 -1.49 1.68 0.78 0.04 0.00 0.00 177.00 178.14 1wwv h GLY 42 N -0.67 -0.47 -0.96 0.56 0.00 -1.61 -1.11 103.07 98.79 1wwv h GLY 42 Ca -0.45 0.18 0.37 0.00 0.00 0.00 0.00 47.33 47.43 1wwv h GLY 42 CO 0.52 -0.17 0.40 0.58 0.00 0.00 0.00 176.54 177.87 1wwv n LYS 43 N -5.29 -0.06 0.07 4.80 2.85 -1.06 0.19 118.16 119.67 1wwv n LYS 43 Ca -0.10 1.36 -0.11 0.00 -1.05 0.00 0.00 58.31 58.41 1wwv n LYS 43 Cb 0.20 -2.37 -0.13 0.00 -0.65 0.00 0.00 35.03 32.08 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 0.19 -0.87 -5.58 4.21 -1.79 -3.21 115.58 108.53 1wwv h ASN 44 Ca 0.76 -0.21 0.18 0.00 1.21 0.00 0.00 56.30 58.24 1wwv h ASN 44 Cb 1.93 -0.06 -0.11 0.00 -1.12 0.00 0.00 38.32 38.96 1wwv h ASN 44 CO -0.78 1.17 0.42 0.25 -1.29 0.00 0.00 177.43 177.19 1wwv h LEU 45 N 0.03 0.44 0.00 1.61 5.85 0.35 0.99 115.31 124.58 1wwv h LEU 45 Ca -0.09 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wwv h LEU 45 Cb 1.88 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1wwv h LEU 45 CO 0.16 0.13 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.14 1wwv h LEU 46 N 0.53 0.00 -2.37 2.25 3.38 -1.52 -3.16 115.31 114.42 1wwv h LEU 46 Ca 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1wwv h LEU 46 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1wwv h LEU 46 CO -0.43 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.11 1wwv n GLN 47 N -2.62 2.48 -0.24 1.13 6.02 0.13 -4.99 117.38 119.29 1wwv n GLN 47 Ca 0.04 -2.28 -0.19 0.00 -0.01 0.00 0.00 57.00 54.56 1wwv n GLN 47 Cb 0.48 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.43 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 1.44 0.00 -3.51 1.08 4.77 0.30 -5.01 117.00 116.07 1wwv n LEU 48 Ca 0.19 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.53 1wwv n LEU 48 Cb 0.59 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1wwv n LEU 48 CO 0.15 -2.39 0.56 0.00 -1.33 0.00 0.00 177.39 174.38 1wwv h PRO 50 N 2.00 0.00 0.12 0.00 0.13 -1.97 -2.08 132.00 130.20 1wwv h PRO 50 Ca -0.27 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.51 1wwv h PRO 50 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1wwv h PRO 50 CO 0.33 0.05 -1.93 0.37 -0.23 0.00 0.00 178.00 176.59 1wwv h GLN 51 N 0.00 0.25 -0.19 0.86 -0.00 -1.96 -3.38 115.11 110.70 1wwv h GLN 51 Ca -0.00 -0.43 -0.05 0.00 -0.00 0.00 0.00 58.65 58.17 1wwv h GLN 51 Cb 0.53 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.16 1wwv h GLN 51 CO 0.01 1.15 -0.07 1.03 0.00 0.00 0.00 178.83 180.94 1wwv h SER 52 N 0.07 0.39 -0.96 -0.69 0.87 -1.94 -3.09 113.55 108.19 1wwv h SER 52 Ca -0.40 -0.39 0.30 0.00 -1.23 0.00 0.00 61.79 60.07 1wwv h SER 52 Cb 2.04 -0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 63.74 1wwv h SER 52 CO 0.10 0.69 0.42 -0.07 -0.53 0.00 0.00 176.83 177.44 1wwv h LEU 53 N 0.08 0.25 -1.21 2.23 3.38 -1.56 0.53 115.31 119.01 1wwv h LEU 53 Ca 0.04 0.21 0.32 0.00 0.09 0.00 0.00 57.88 58.55 1wwv h LEU 53 Cb 0.54 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 1wwv h LEU 53 CO 0.02 -0.19 0.67 -0.33 0.09 0.00 0.00 178.44 178.70 1wwv h GLU 54 N 0.23 0.30 -0.68 1.13 5.08 -1.36 0.77 114.58 120.05 1wwv h GLU 54 Ca 0.68 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 59.10 1wwv h GLU 54 Cb 1.52 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 1wwv h GLU 54 CO -0.66 0.20 0.45 0.00 -1.00 0.00 0.00 179.01 178.00 1wwv h ALA 55 N 1.71 1.83 -0.37 3.43 0.00 -0.10 -0.18 119.26 125.59 1wwv h ALA 55 Ca 0.70 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.41 1wwv h ALA 55 Cb 1.79 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1wwv h ALA 55 CO -0.45 0.04 0.24 1.28 0.00 0.00 0.00 179.25 180.35 1wwv n LEU 56 N -4.48 4.33 -2.31 0.00 4.77 0.27 -4.80 117.00 114.77 1wwv n LEU 56 Ca 0.11 -2.25 -0.18 0.00 -0.03 0.00 0.00 56.01 53.65 1wwv n LEU 56 Cb 0.29 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1wwv n LEU 56 CO 0.33 0.69 -0.12 0.00 -1.33 0.00 0.00 177.39 176.97 1wwv n ALA 57 N -0.10 -0.67 -3.89 -1.18 0.00 -0.09 -4.96 120.51 109.62 1wwv n ALA 57 Ca 0.22 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 1wwv n ALA 57 Cb 0.93 -2.67 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.99 2.62 -0.25 0.00 1.01 -1.11 -4.88 120.40 114.81 1wwv s VAL 58 Ca 0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 61.98 58.26 1wwv s VAL 58 Cb -0.06 -2.76 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 1wwv s VAL 58 CO 0.16 -0.94 -0.25 0.54 0.00 0.00 0.00 175.10 174.60 1wwv n ARG 59 N 2.45 0.59 -1.65 2.72 1.74 -1.26 -2.26 116.66 118.99 1wwv n ARG 59 Ca 0.15 0.17 -0.60 0.00 -0.77 0.00 0.00 57.85 56.80 1wwv n ARG 59 Cb 0.34 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.50 1.38 0.01 0.55 7.64 -1.26 -4.83 113.62 113.60 1wwv n SER 60 Ca -0.46 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.44 1wwv n SER 60 Cb 0.93 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 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 5.13 0.05 -1.05 -3.43 7.12 -1.98 -1.59 115.31 119.57 1wwv h LEU 61 Ca -0.47 -0.12 0.30 0.00 0.13 0.00 0.00 57.88 57.71 1wwv h LEU 61 Cb 1.36 -0.01 -0.14 0.00 -0.53 0.00 0.00 40.66 41.34 1wwv h LEU 61 CO 0.87 0.16 0.60 1.23 -0.13 0.00 0.00 178.44 181.16 1wwv h GLY 62 N -0.06 1.93 0.78 3.75 0.00 -2.00 0.18 103.07 107.64 1wwv h GLY 62 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1wwv h GLY 62 CO -0.00 -0.38 -0.70 0.45 0.00 0.00 0.00 176.54 175.91 1wwv h HIS 63 N 0.41 0.61 -0.96 5.60 3.86 -1.87 -3.01 115.15 119.78 1wwv h HIS 63 Ca 0.70 -0.37 0.07 0.00 -1.16 0.00 0.00 60.37 59.61 1wwv h HIS 63 Cb 1.55 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.90 1wwv h HIS 63 CO -0.01 1.21 0.62 1.96 0.86 0.00 0.00 177.93 182.58 1wwv h GLN 64 N -0.17 1.06 -0.42 2.45 4.20 0.04 -2.00 115.11 120.27 1wwv h GLN 64 Ca -0.10 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1wwv h GLN 64 Cb 1.44 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1wwv h GLN 64 CO 0.14 0.70 -0.03 1.49 -0.67 0.00 0.00 178.83 180.45 1wwv h GLU 65 N 1.09 0.76 -0.86 1.46 4.57 -0.82 0.14 114.58 120.92 1wwv h GLU 65 Ca 0.42 -0.26 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1wwv h GLU 65 Cb 0.22 -0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.65 1wwv h GLU 65 CO -0.17 0.86 0.44 -0.07 -1.18 0.00 0.00 179.01 178.88 1wwv h LEU 66 N 0.59 0.51 0.00 1.64 3.38 -1.23 0.76 115.31 120.97 1wwv h LEU 66 Ca 0.11 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1wwv h LEU 66 Cb 0.54 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wwv h LEU 66 CO 0.03 0.19 -0.03 0.40 0.09 0.00 0.00 178.44 179.12 1wwv h ILE 67 N 0.60 0.00 -0.84 1.22 2.04 -1.36 -3.27 117.51 115.89 1wwv h ILE 67 Ca 0.48 -0.13 0.28 0.00 1.00 0.00 0.00 64.86 66.48 1wwv h ILE 67 Cb 0.71 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.64 1wwv h ILE 67 CO -0.38 0.00 0.18 0.18 0.00 0.00 0.00 178.15 178.13 1wwv n LEU 68 N -2.47 0.05 0.05 1.44 4.77 0.48 0.86 117.00 122.18 1wwv n LEU 68 Ca -0.00 1.41 -0.12 0.00 -0.03 0.00 0.00 56.01 57.27 1wwv n LEU 68 Cb 0.02 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1wwv n LEU 68 CO 0.01 -1.49 0.85 1.23 -1.33 0.00 0.00 177.39 176.66 1wwv h GLY 69 N 0.00 -0.05 1.10 -0.72 0.00 -1.01 -1.99 103.07 100.40 1wwv h GLY 69 Ca 0.59 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 1wwv h GLY 69 CO -0.73 -0.03 0.34 -1.33 0.00 0.00 0.00 176.54 174.79 1wwv h GLY 70 N -0.06 1.24 0.89 4.60 0.00 0.41 -3.04 103.07 107.11 1wwv h GLY 70 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1wwv h GLY 70 CO -0.01 0.61 -0.08 -2.08 0.00 0.00 0.00 176.54 174.97 1wwv h VAL 71 N 1.13 0.81 -1.22 4.60 2.07 -0.92 -2.13 116.25 120.59 1wwv h VAL 71 Ca 0.27 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.15 1wwv h VAL 71 Cb 0.17 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 1wwv h VAL 71 CO -0.03 0.00 0.81 -0.33 0.02 0.00 0.00 177.57 178.04 1wwv h GLU 72 N -0.19 0.19 -0.12 1.57 4.39 -1.24 1.11 114.58 120.30 1wwv h GLU 72 Ca 0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1wwv h GLU 72 Cb 0.18 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1wwv h GLU 72 CO -0.02 0.12 -0.50 1.96 -1.16 0.00 0.00 179.01 179.41 1wwv h GLN 73 N 0.19 0.31 0.33 2.33 1.08 -1.40 -3.26 115.11 114.69 1wwv h GLN 73 Ca 0.70 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.71 1wwv h GLN 73 Cb 2.16 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.61 1wwv h GLN 73 CO -0.30 0.75 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.10 1wwv h LEU 74 N 0.25 -0.38 -1.61 1.46 3.38 0.14 -2.94 115.31 115.61 1wwv h LEU 74 Ca 0.01 -0.15 0.47 0.00 0.09 0.00 0.00 57.88 58.30 1wwv h LEU 74 Cb 0.98 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1wwv h LEU 74 CO 0.08 -0.03 1.17 0.00 0.09 0.00 0.00 178.44 179.75 1wwv n GLN 75 N -5.16 0.00 0.00 1.13 6.02 -0.87 -0.39 117.38 118.11 1wwv n GLN 75 Ca -0.10 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1wwv n GLN 75 Cb 0.27 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwv n ALA 76 N -2.74 -0.18 -0.08 -1.58 0.00 -1.11 -3.22 120.51 111.60 1wwv n ALA 76 Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.74 1wwv n ALA 76 Cb 1.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 21.10 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 -0.31 -0.94 0.00 8.10 -0.98 -2.25 115.31 118.92 1wwv h LEU 77 Ca 0.00 0.10 0.17 0.00 0.11 0.00 0.00 57.88 58.25 1wwv h LEU 77 Cb 0.00 0.20 -0.17 0.00 -0.44 0.00 0.00 40.66 40.26 1wwv h LEU 77 CO 0.00 -0.11 -0.32 -1.28 -4.11 0.00 0.00 178.44 172.62 1wwv h SER 78 N -0.01 -1.16 -0.77 0.17 0.87 -0.88 -3.41 113.55 108.36 1wwv h SER 78 Ca 0.15 0.29 0.18 0.00 -1.23 0.00 0.00 61.79 61.18 1wwv h SER 78 Cb 0.24 0.67 -0.22 0.00 -0.44 0.00 0.00 62.40 62.65 1wwv h SER 78 CO -0.33 -0.30 0.05 -0.94 -0.53 0.00 0.00 176.83 174.78 1wwv s SER 79 N -5.30 -0.75 -0.52 6.23 1.04 -0.87 -4.29 113.70 109.24 1wwv s SER 79 Ca -0.14 0.64 -0.27 0.00 0.48 0.00 0.00 55.95 56.66 1wwv s SER 79 Cb 0.23 1.70 -0.01 0.00 0.10 0.00 0.00 66.02 68.04 1wwv s SER 79 CO 0.74 -0.14 1.69 -0.13 0.98 0.00 0.00 173.24 176.38 1wwv s ARG 80 N 2.78 3.05 -0.73 4.02 0.52 -1.09 -4.61 118.95 122.89 1wwv s ARG 80 Ca 0.04 0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1wwv s ARG 80 Cb -0.10 -4.25 0.18 0.00 0.52 0.00 0.00 34.95 31.30 1wwv s ARG 80 CO -0.16 -2.23 0.56 -0.51 0.02 0.00 0.00 175.30 172.99 1wwv s LEU 81 N 7.46 5.19 -1.16 2.53 1.43 -1.26 -5.01 118.68 127.85 1wwv s LEU 81 Ca 0.65 -3.39 -0.23 0.00 -1.03 0.00 0.00 54.13 50.13 1wwv s LEU 81 Cb -0.14 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 1wwv s LEU 81 CO 0.26 -0.23 1.92 0.00 0.23 0.00 0.00 176.35 178.53 1wwv s GLN 82 N -0.84 2.59 0.10 1.70 -2.07 -1.26 -4.93 119.66 114.94 1wwv s GLN 82 Ca 0.22 -1.11 -0.25 0.00 -1.82 0.00 0.00 55.36 52.40 1wwv s GLN 82 Cb -0.13 -5.24 -0.06 0.00 -1.09 0.00 0.00 33.01 26.49 1wwv s GLN 82 CO -0.09 -3.82 0.78 -0.08 -1.32 0.00 0.00 175.29 170.76 1wwv s THR 83 N 10.52 4.58 -1.00 3.63 -1.32 -1.26 -4.96 115.64 125.83 1wwv s THR 83 Ca 0.68 1.68 -0.24 0.00 -1.21 0.00 0.00 61.69 62.59 1wwv s THR 83 Cb -0.01 -4.13 -0.08 0.00 -1.51 0.00 0.00 72.50 66.77 1wwv s THR 83 CO 0.11 0.43 1.98 -0.70 -2.21 0.00 0.00 174.62 174.23 1wwv s GLU 84 N -0.50 2.40 -0.02 7.08 2.56 -1.26 -4.87 118.70 124.10 1wwv s GLU 84 Ca 0.38 -0.55 -0.13 0.00 0.00 0.00 0.00 54.97 54.67 1wwv s GLU 84 Cb -0.22 -5.10 0.02 0.00 2.00 0.00 0.00 34.13 30.83 1wwv s GLU 84 CO 0.25 -3.76 0.27 -0.80 -0.56 0.00 0.00 175.26 170.66 1wwv s ASN 85 N 7.72 -0.16 -0.16 -1.70 -0.87 -1.26 -5.14 114.94 113.38 1wwv s ASN 85 Ca 0.72 0.06 -0.23 0.00 -1.57 0.00 0.00 52.86 51.84 1wwv s ASN 85 Cb -0.05 0.31 -0.02 0.00 -0.02 0.00 0.00 41.25 41.47 1wwv s ASN 85 CO 0.06 -0.41 0.73 -0.44 -2.57 0.00 0.00 177.10 174.47 1wwv s SER 86 N -1.23 6.87 0.00 -1.22 0.01 -1.26 -5.06 113.70 111.80 1wwv s SER 86 Ca -0.13 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1wwv s SER 86 Cb -0.05 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1wwv s SER 86 CO 0.03 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1wwv n GLY 87 N 3.50 -2.24 0.00 3.44 0.00 -1.26 -4.80 105.19 103.82 1wwv n GLY 87 Ca 0.01 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 0.49 -0.28 1.61 -0.04 -1.26 -4.04 135.00 131.48 1wwv n PRO 88 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1wwv n PRO 88 Cb 0.00 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.86 -0.48 0.00 3.54 3.41 -1.26 -2.34 113.62 115.63 1wwv n SER 89 Ca 0.08 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1wwv n SER 89 Cb 0.04 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1wwv n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wwv n SER 90 N -5.07 0.77 0.00 4.04 3.41 -1.26 -5.28 113.62 110.24 1wwv n SER 90 Ca 0.07 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1wwv n SER 90 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49