#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 2.03 -0.54 1.61 0.15 -1.26 -5.07 113.70 110.61 1wwv s SER 2 Ca 0.00 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.01 1wwv s SER 2 Cb 0.00 -0.44 -0.15 0.00 -1.71 0.00 0.00 66.02 63.72 1wwv s SER 2 CO 0.00 -0.25 1.81 -1.54 1.20 0.00 0.00 173.24 174.46 1wwv n SER 3 N 5.15 0.42 0.00 5.45 3.41 -1.26 -4.35 113.62 122.43 1wwv n SER 3 Ca -0.07 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1wwv n SER 3 Cb 0.49 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 5.36 0.39 3.13 5.00 0.00 -1.26 -4.90 105.19 112.91 1wwv n GLY 4 Ca 0.45 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.00 0.88 0.20 1.61 0.15 -1.26 -5.06 113.70 106.22 1wwv s SER 5 Ca 0.00 -0.98 0.11 0.00 0.70 0.00 0.00 55.95 55.78 1wwv s SER 5 Cb 0.00 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1wwv s SER 5 CO 0.00 -0.50 -0.24 -0.44 1.20 0.00 0.00 173.24 173.26 1wwv s SER 6 N -2.93 3.46 0.66 5.45 0.01 -1.26 -4.99 113.70 114.10 1wwv s SER 6 Ca 0.09 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1wwv s SER 6 Cb 0.06 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1wwv s SER 6 CO -0.06 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wwv n GLY 7 N 0.23 0.63 3.49 3.44 0.00 -1.26 -4.34 105.19 107.39 1wwv n GLY 7 Ca -0.12 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.39 0.17 1.61 -2.45 -1.26 -5.04 119.30 112.72 1wwv s MET 8 Ca 0.00 0.98 -0.32 0.00 -1.25 0.00 0.00 55.69 55.11 1wwv s MET 8 Cb 0.00 0.58 -0.17 0.00 1.25 0.00 0.00 34.83 36.49 1wwv s MET 8 CO 0.00 -0.13 0.88 -1.91 1.05 0.00 0.00 175.02 174.91 1wwv n GLU 9 N 5.11 0.53 -2.26 4.11 4.07 -1.26 -4.86 120.64 126.08 1wwv n GLU 9 Ca -0.10 0.19 -0.36 0.00 -0.06 0.00 0.00 57.16 56.82 1wwv n GLU 9 Cb 0.51 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.41 1wwv n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1wwv s PRO 10 N -0.70 3.63 0.10 5.31 0.04 -1.26 -4.89 135.00 137.23 1wwv s PRO 10 Ca 0.71 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 1wwv s PRO 10 Cb -0.94 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 1wwv s PRO 10 CO 0.56 -0.64 1.40 0.28 0.04 0.00 0.00 177.00 178.63 1wwv h VAL 11 N 1.66 1.30 0.00 -0.36 2.07 -1.87 -2.83 116.25 116.23 1wwv h VAL 11 Ca -0.50 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1wwv h VAL 11 Cb 1.25 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1wwv h VAL 11 CO 0.59 0.49 0.45 1.05 0.02 0.00 0.00 177.57 180.17 1wwv h GLU 12 N 0.45 0.00 0.00 1.57 4.11 -1.90 0.50 114.58 119.30 1wwv h GLU 12 Ca 0.03 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.14 1wwv h GLU 12 Cb 0.93 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 1wwv h GLU 12 CO 0.08 0.00 -2.26 0.25 0.07 0.00 0.00 179.01 177.15 1wwv n THR 13 N -2.65 1.27 -0.98 -1.06 -2.24 -1.09 0.37 114.28 107.89 1wwv n THR 13 Ca -0.01 -0.81 -0.36 0.00 -2.27 0.00 0.00 64.05 60.59 1wwv n THR 13 Cb 0.48 -0.48 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.73 -4.04 -3.21 4.78 7.02 0.18 -4.74 117.44 114.68 1wwv n TRP 14 Ca -0.28 0.15 -0.27 0.00 -1.02 0.00 0.00 57.50 56.08 1wwv n TRP 14 Cb 1.08 -1.44 -0.02 0.00 -2.42 0.00 0.00 31.31 28.52 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 -2.02 5.02 -2.00 -0.99 -4.23 -1.26 -2.49 115.64 107.67 1wwv s THR 15 Ca 0.40 -0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.94 1wwv s THR 15 Cb -0.11 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.22 1wwv s THR 15 CO 0.78 -0.50 1.05 -0.81 -0.54 0.00 0.00 174.62 174.59 1wwv n PRO 16 N -1.47 0.49 -0.01 3.99 -0.04 -1.26 -2.21 135.00 134.49 1wwv n PRO 16 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1wwv n PRO 16 Cb 0.55 -1.33 -0.13 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 -0.74 0.11 0.55 0.00 -1.26 -4.10 105.19 99.73 1wwv n GLY 17 Ca 0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1wwv n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwv n LYS 18 N -1.99 0.69 -0.41 1.61 5.02 -0.94 -4.18 118.16 117.96 1wwv n LYS 18 Ca -0.02 0.23 0.33 0.00 -2.02 0.00 0.00 58.31 56.82 1wwv n LYS 18 Cb 0.42 -1.69 0.62 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.03 0.27 -0.85 -0.18 2.07 -1.77 0.76 116.25 116.58 1wwv h VAL 19 Ca -0.41 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1wwv h VAL 19 Cb 2.03 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1wwv h VAL 19 CO 0.06 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.23 1wwv h ALA 20 N 1.57 1.59 -0.45 1.67 0.00 -1.83 0.11 119.26 121.93 1wwv h ALA 20 Ca 0.73 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.48 1wwv h ALA 20 Cb 2.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1wwv h ALA 20 CO -0.33 0.27 -0.28 1.15 0.00 0.00 0.00 179.25 180.06 1wwv h THR 21 N 0.92 1.27 0.00 0.00 2.02 0.29 0.69 112.91 118.10 1wwv h THR 21 Ca 0.37 -1.45 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 1wwv h THR 21 Cb 0.25 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1wwv h THR 21 CO -0.14 0.50 -0.56 -0.25 0.37 0.00 0.00 175.52 175.44 1wwv h TRP 22 N 0.83 0.00 0.02 3.16 7.01 -1.20 -2.51 115.95 123.26 1wwv h TRP 22 Ca 0.09 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 1wwv h TRP 22 Cb 0.87 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1wwv h TRP 22 CO 0.06 0.56 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.04 1wwv h LEU 23 N 0.00 0.09 -2.45 0.65 3.38 -0.66 -2.72 115.31 113.60 1wwv h LEU 23 Ca -0.01 -0.96 -0.01 0.00 0.09 0.00 0.00 57.88 57.00 1wwv h LEU 23 Cb 1.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1wwv h LEU 23 CO 0.07 1.05 -0.03 0.08 0.09 0.00 0.00 178.44 179.70 1wwv h ARG 24 N -0.85 0.00 0.15 1.13 -0.00 -0.91 -2.35 114.38 111.55 1wwv h ARG 24 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.64 1wwv h ARG 24 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 1wwv h ARG 24 CO 0.03 0.03 -1.57 0.78 -0.00 0.00 0.00 179.97 179.23 1wwv h GLY 25 N 0.31 0.36 -0.84 0.08 0.00 -1.51 -3.37 103.07 98.09 1wwv h GLY 25 Ca -0.00 -0.92 0.10 0.00 0.00 0.00 0.00 47.33 46.51 1wwv h GLY 25 CO 0.00 0.80 -0.42 1.04 0.00 0.00 0.00 176.54 177.97 1wwv n LEU 26 N -3.51 -0.73 -3.72 3.11 4.77 -0.88 -4.73 117.00 111.31 1wwv n LEU 26 Ca -0.18 1.49 -0.09 0.00 -0.03 0.00 0.00 56.01 57.19 1wwv n LEU 26 Cb 1.06 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1wwv n LEU 26 CO 0.52 -1.27 0.38 -0.62 -1.33 0.00 0.00 177.39 175.06 1wwv s ASP 27 N -5.37 -0.33 0.27 -1.43 2.15 -1.25 -5.04 116.67 105.67 1wwv s ASP 27 Ca -0.11 -0.43 0.17 0.00 0.43 0.00 0.00 52.55 52.61 1wwv s ASP 27 Cb 0.13 0.64 0.08 0.00 -0.30 0.00 0.00 42.92 43.47 1wwv s ASP 27 CO 0.56 -1.15 1.36 0.44 -0.17 0.00 0.00 175.17 176.21 1wwv h ASP 28 N 2.07 0.00 0.73 -0.34 3.32 -1.85 -2.52 116.42 117.84 1wwv h ASP 28 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1wwv h ASP 28 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1wwv h ASP 28 CO 0.32 0.39 0.00 -0.24 -1.72 0.00 0.00 179.24 177.99 1wwv n SER 29 N -3.12 0.07 -0.05 6.45 2.88 -1.26 -3.32 113.62 115.27 1wwv n SER 29 Ca 0.01 0.51 -0.06 0.00 -1.33 0.00 0.00 58.87 58.00 1wwv n SER 29 Cb 0.70 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 1wwv n SER 29 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wwv n LEU 30 N -1.58 1.34 0.07 2.46 4.77 -1.21 -4.52 117.00 118.33 1wwv n LEU 30 Ca 0.05 -0.03 0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1wwv n LEU 30 Cb 0.25 -0.06 0.55 0.00 -2.33 0.00 0.00 43.42 41.83 1wwv n LEU 30 CO 0.19 0.44 1.17 0.06 -1.33 0.00 0.00 177.39 177.93 1wwv h GLN 31 N 0.00 0.00 -0.74 3.23 3.07 -1.44 0.51 115.11 119.74 1wwv h GLN 31 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.43 1wwv h GLN 31 Cb 1.51 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.03 1wwv h GLN 31 CO -0.01 0.00 0.29 0.22 0.09 0.00 0.00 178.83 179.42 1wwv h ASP 32 N 0.00 1.03 -3.56 0.06 3.58 -1.80 -3.44 116.42 112.30 1wwv h ASP 32 Ca 0.23 -0.18 -0.53 0.00 0.42 0.00 0.00 57.03 56.97 1wwv h ASP 32 Cb 1.76 -0.27 0.09 0.00 1.72 0.00 0.00 39.33 42.63 1wwv h ASP 32 CO -0.00 0.93 0.86 -0.31 -2.88 0.00 0.00 179.24 177.84 1wwv s TYR 33 N -5.54 2.66 -1.19 0.28 2.02 0.18 -4.85 117.35 110.91 1wwv s TYR 33 Ca -0.12 0.90 -0.23 0.00 -0.37 0.00 0.00 57.07 57.25 1wwv s TYR 33 Cb 0.15 -4.08 -0.09 0.00 -0.40 0.00 0.00 41.96 37.54 1wwv s TYR 33 CO 0.83 -3.47 1.93 -0.35 -1.57 0.00 0.00 175.55 172.93 1wwv n PRO 34 N 1.51 1.60 -0.06 -1.71 -0.04 -1.26 -4.74 135.00 130.31 1wwv n PRO 34 Ca 0.06 -2.47 -0.12 0.00 -0.04 0.00 0.00 63.50 60.92 1wwv n PRO 34 Cb 0.38 -3.73 -0.06 0.00 -0.04 0.00 0.00 33.50 30.04 1wwv n PRO 34 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wwv h PHE 35 N 9.68 0.39 -0.61 0.54 0.04 -1.88 -2.79 116.94 122.31 1wwv h PHE 35 Ca 0.22 -0.09 0.18 0.00 2.80 0.00 0.00 57.97 61.08 1wwv h PHE 35 Cb 0.94 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1wwv h PHE 35 CO 1.21 0.63 0.66 1.49 -0.60 0.00 0.00 178.31 181.70 1wwv h GLU 36 N 0.03 0.00 0.11 1.51 4.81 -1.91 0.51 114.58 119.64 1wwv h GLU 36 Ca 0.04 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.98 1wwv h GLU 36 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1wwv h GLU 36 CO 0.02 0.00 -1.47 -0.44 -0.73 0.00 0.00 179.01 176.39 1wwv h ASP 37 N 0.00 0.35 -1.06 1.04 5.19 -1.89 -3.31 116.42 116.74 1wwv h ASP 37 Ca 0.29 -0.47 0.28 0.00 -0.62 0.00 0.00 57.03 56.51 1wwv h ASP 37 Cb 1.60 -0.11 -0.08 0.00 0.18 0.00 0.00 39.33 40.91 1wwv h ASP 37 CO -0.00 1.39 0.70 -0.50 -3.12 0.00 0.00 179.24 177.70 1wwv h TRP 38 N 0.06 0.52 -5.73 4.55 4.06 0.22 -3.44 115.95 116.20 1wwv h TRP 38 Ca -0.22 0.02 -0.32 0.00 2.06 0.00 0.00 58.89 60.43 1wwv h TRP 38 Cb 1.99 -0.15 -0.14 0.00 -1.00 0.00 0.00 29.16 29.86 1wwv h TRP 38 CO 0.06 0.05 -0.47 1.04 -3.56 0.00 0.00 178.44 175.55 1wwv n GLN 39 N -4.54 -2.45 -3.01 0.49 1.13 -1.19 -4.87 117.38 102.94 1wwv n GLN 39 Ca 0.25 0.24 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1wwv n GLN 39 Cb 0.94 -4.84 -0.05 0.00 0.11 0.00 0.00 30.24 26.40 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 -6.19 4.13 0.62 1.08 2.96 -1.26 -4.82 118.68 115.19 1wwv s LEU 40 Ca 0.38 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 55.07 1wwv s LEU 40 Cb -0.21 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 1wwv s LEU 40 CO 0.47 -0.37 1.12 -2.16 -1.32 0.00 0.00 176.35 174.08 1wwv s PRO 41 N 2.27 2.99 0.22 0.98 0.04 -1.26 -4.13 135.00 136.10 1wwv s PRO 41 Ca 0.32 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1wwv s PRO 41 Cb -0.16 -1.97 0.31 0.00 0.04 0.00 0.00 34.50 32.72 1wwv s PRO 41 CO 0.10 -1.11 1.75 0.78 0.04 0.00 0.00 177.00 178.56 1wwv h GLY 42 N 0.43 0.94 -0.44 0.56 0.00 -1.65 0.97 103.07 103.89 1wwv h GLY 42 Ca -0.48 -0.15 0.19 0.00 0.00 0.00 0.00 47.33 46.89 1wwv h GLY 42 CO 0.55 -0.00 0.06 0.07 0.00 0.00 0.00 176.54 177.21 1wwv h LYS 43 N 0.47 0.12 0.03 4.80 2.10 -0.22 0.17 116.57 124.04 1wwv h LYS 43 Ca 0.33 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.74 1wwv h LYS 43 Cb 0.40 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 1wwv h LYS 43 CO -0.30 0.08 -1.10 -0.91 -2.00 0.00 0.00 179.45 175.21 1wwv h ASN 44 N 0.12 0.10 -0.75 7.07 4.21 -1.62 -3.25 115.58 121.45 1wwv h ASN 44 Ca 0.46 -0.11 0.17 0.00 1.21 0.00 0.00 56.30 58.03 1wwv h ASN 44 Cb 0.85 -0.03 -0.12 0.00 -1.12 0.00 0.00 38.32 37.90 1wwv h ASN 44 CO -0.69 1.08 0.15 0.25 -1.29 0.00 0.00 177.43 176.94 1wwv h LEU 45 N 0.02 -0.04 -0.44 1.61 5.85 0.18 0.83 115.31 123.32 1wwv h LEU 45 Ca -0.06 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1wwv h LEU 45 Cb 1.83 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1wwv h LEU 45 CO 0.14 -0.07 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.80 1wwv h LEU 46 N 0.24 0.00 -2.09 2.25 -0.00 -1.52 -2.98 115.31 111.20 1wwv h LEU 46 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1wwv h LEU 46 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1wwv h LEU 46 CO -0.54 0.31 0.00 0.00 -0.00 0.00 0.00 178.44 178.20 1wwv n GLN 47 N -3.26 2.32 -0.76 1.13 1.13 0.13 -4.97 117.38 113.10 1wwv n GLN 47 Ca 0.02 -2.05 -0.32 0.00 -1.94 0.00 0.00 57.00 52.71 1wwv n GLN 47 Cb 0.58 -1.46 0.15 0.00 0.11 0.00 0.00 30.24 29.62 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 1.18 2.25 -3.96 1.08 4.77 0.24 -5.01 117.00 117.56 1wwv n LEU 48 Ca 0.19 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.50 1wwv n LEU 48 Cb 0.49 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 1wwv n LEU 48 CO 0.14 -2.61 -0.16 0.00 -1.33 0.00 0.00 177.39 173.42 1wwv n PRO 50 N -0.05 0.11 -0.01 0.00 -0.04 -1.26 -1.36 135.00 132.39 1wwv n PRO 50 Ca -0.12 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1wwv n PRO 50 Cb 0.62 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1wwv n PRO 50 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wwv h GLN 51 N 0.00 0.08 0.08 0.54 5.75 -1.96 -3.37 115.11 116.22 1wwv h GLN 51 Ca 0.00 -0.13 -0.30 0.00 -0.15 0.00 0.00 58.65 58.07 1wwv h GLN 51 Cb 0.31 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1wwv h GLN 51 CO 0.00 0.71 -1.58 0.77 -2.65 0.00 0.00 178.83 176.09 1wwv h SER 52 N 0.02 0.25 -0.01 -0.69 0.02 -1.91 -3.31 113.55 107.92 1wwv h SER 52 Ca -0.30 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1wwv h SER 52 Cb 2.01 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.47 1wwv h SER 52 CO 0.09 1.34 0.15 -0.07 -1.14 0.00 0.00 176.83 177.20 1wwv h LEU 53 N 0.04 0.00 -0.69 5.07 3.38 -1.39 0.26 115.31 121.98 1wwv h LEU 53 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wwv h LEU 53 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1wwv h LEU 53 CO 0.13 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.33 1wwv h GLU 54 N 0.00 0.00 0.00 1.13 5.08 -1.64 -2.30 114.58 116.85 1wwv h GLU 54 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1wwv h GLU 54 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1wwv h GLU 54 CO -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 179.01 177.44 1wwv h ALA 55 N 2.26 0.66 -0.34 3.43 0.00 -0.70 -3.21 119.26 121.36 1wwv h ALA 55 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1wwv h ALA 55 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wwv h ALA 55 CO 0.00 0.66 0.03 1.28 0.00 0.00 0.00 179.25 181.22 1wwv n LEU 56 N -3.20 3.77 -0.75 0.00 7.99 -1.02 -4.84 117.00 118.95 1wwv n LEU 56 Ca 0.01 -1.92 -0.08 0.00 -0.01 0.00 0.00 56.01 54.01 1wwv n LEU 56 Cb 0.75 -0.61 -0.02 0.00 -0.11 0.00 0.00 43.42 43.43 1wwv n LEU 56 CO 0.41 0.49 -0.09 0.00 -1.51 0.00 0.00 177.39 176.69 1wwv n ALA 57 N 0.28 -0.18 -3.64 -1.18 0.00 -1.21 -4.93 120.51 109.65 1wwv n ALA 57 Ca 0.17 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1wwv n ALA 57 Cb 0.81 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.40 2.29 -0.08 0.00 0.31 -0.90 -4.87 118.33 111.68 1wwv n VAL 58 Ca -0.09 -5.09 -0.20 0.00 -0.01 0.00 0.00 64.34 58.95 1wwv n VAL 58 Cb 0.42 -2.18 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 1wwv n VAL 58 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wwv h ARG 59 N 5.00 0.04 -6.13 5.55 3.08 -1.83 -3.23 114.38 116.87 1wwv h ARG 59 Ca 0.17 -0.07 -0.76 0.00 0.07 0.00 0.00 59.98 59.39 1wwv h ARG 59 Cb 0.72 0.03 0.03 0.00 0.08 0.00 0.00 29.97 30.83 1wwv h ARG 59 CO 0.81 1.04 0.58 0.43 -1.07 0.00 0.00 179.97 181.76 1wwv n SER 60 N -4.37 1.54 0.15 7.04 7.64 -1.26 -4.86 113.62 119.49 1wwv n SER 60 Ca -0.26 1.12 -0.14 0.00 1.01 0.00 0.00 58.87 60.60 1wwv n SER 60 Cb 0.68 -1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 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 5.28 -0.28 -0.90 -3.43 5.85 -2.00 -2.92 115.31 116.91 1wwv h LEU 61 Ca -0.47 -0.08 0.33 0.00 0.84 0.00 0.00 57.88 58.50 1wwv h LEU 61 Cb 1.35 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.29 1wwv h LEU 61 CO 0.85 -0.10 0.32 0.61 -0.34 0.00 0.00 178.44 179.79 1wwv n GLY 62 N -0.90 -0.87 0.24 3.75 0.00 -1.26 0.21 105.19 106.36 1wwv n GLY 62 Ca -0.09 0.79 -0.10 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 0.84 -0.25 1.61 3.86 -1.89 -3.08 115.15 116.24 1wwv h HIS 63 Ca 0.69 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.62 1wwv h HIS 63 Cb 1.71 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.99 1wwv h HIS 63 CO -0.17 1.00 0.06 1.96 0.86 0.00 0.00 177.93 181.64 1wwv h GLN 64 N 0.58 0.40 -0.78 2.45 4.20 0.26 -2.96 115.11 119.26 1wwv h GLN 64 Ca 0.05 -0.10 0.13 0.00 0.06 0.00 0.00 58.65 58.78 1wwv h GLN 64 Cb 0.95 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 1wwv h GLN 64 CO 0.09 0.50 0.38 0.93 -0.67 0.00 0.00 178.83 180.06 1wwv h GLU 65 N 0.23 0.57 -0.20 1.46 4.39 -1.06 0.62 114.58 120.60 1wwv h GLU 65 Ca 0.08 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.79 1wwv h GLU 65 Cb 0.28 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1wwv h GLU 65 CO 0.00 0.37 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.07 1wwv h LEU 66 N 0.58 -0.29 0.07 1.33 3.38 -1.43 -0.38 115.31 118.57 1wwv h LEU 66 Ca 0.41 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1wwv h LEU 66 Cb 0.55 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wwv h LEU 66 CO -0.34 -0.12 -0.03 0.40 0.09 0.00 0.00 178.44 178.44 1wwv h ILE 67 N -0.06 0.00 -0.82 1.22 2.04 -1.23 -3.24 117.51 115.42 1wwv h ILE 67 Ca 0.11 -0.28 0.22 0.00 1.00 0.00 0.00 64.86 65.91 1wwv h ILE 67 Cb 0.22 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.15 1wwv h ILE 67 CO -0.24 0.00 -0.01 0.18 0.00 0.00 0.00 178.15 178.08 1wwv n LEU 68 N -3.03 -0.12 0.10 1.44 4.77 0.21 0.21 117.00 120.57 1wwv n LEU 68 Ca -0.01 1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 57.24 1wwv n LEU 68 Cb 0.04 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1wwv n LEU 68 CO 0.03 -1.41 0.64 1.23 -1.33 0.00 0.00 177.39 176.54 1wwv h GLY 69 N 0.00 -0.63 1.08 -0.72 0.00 -1.18 -1.61 103.07 100.00 1wwv h GLY 69 Ca 0.49 0.41 0.01 0.00 0.00 0.00 0.00 47.33 48.24 1wwv h GLY 69 CO -0.78 -0.25 0.61 -1.33 0.00 0.00 0.00 176.54 174.79 1wwv h GLY 70 N -0.54 1.30 0.67 4.60 0.00 -0.26 -2.80 103.07 106.04 1wwv h GLY 70 Ca 0.04 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.93 1wwv h GLY 70 CO -0.23 0.46 -0.06 -2.08 0.00 0.00 0.00 176.54 174.63 1wwv h VAL 71 N 1.23 0.81 -1.36 4.60 2.07 -0.67 -1.46 116.25 121.46 1wwv h VAL 71 Ca 0.34 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.27 1wwv h VAL 71 Cb -0.11 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1wwv h VAL 71 CO -0.08 0.00 0.93 -0.33 0.02 0.00 0.00 177.57 178.11 1wwv h GLU 72 N -0.04 0.10 0.03 1.57 4.39 -1.02 1.28 114.58 120.89 1wwv h GLU 72 Ca 0.07 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.53 1wwv h GLU 72 Cb 0.15 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1wwv h GLU 72 CO -0.16 0.07 -1.15 1.96 -1.16 0.00 0.00 179.01 178.57 1wwv h GLN 73 N 0.11 0.07 -0.43 2.33 4.20 -1.34 -3.32 115.11 116.71 1wwv h GLN 73 Ca 0.74 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 59.31 1wwv h GLN 73 Cb 2.54 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 30.34 1wwv h GLN 73 CO -0.22 1.00 0.16 -0.07 -0.67 0.00 0.00 178.83 179.03 1wwv h LEU 74 N 0.02 0.61 -1.78 1.46 3.38 0.21 -2.36 115.31 116.85 1wwv h LEU 74 Ca -0.07 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 57.87 1wwv h LEU 74 Cb 1.85 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.40 1wwv h LEU 74 CO 0.14 0.62 0.44 1.56 0.09 0.00 0.00 178.44 181.29 1wwv h GLN 75 N 0.56 0.22 0.04 1.13 4.20 -1.41 0.39 115.11 120.23 1wwv h GLN 75 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wwv h GLN 75 Cb 0.21 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1wwv h GLN 75 CO -0.01 0.14 -0.02 0.00 -0.67 0.00 0.00 178.83 178.27 1wwv h ALA 76 N 1.69 -0.28 -0.64 3.87 0.00 -1.56 -3.11 119.26 119.23 1wwv h ALA 76 Ca 0.31 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1wwv h ALA 76 Cb 0.90 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1wwv h ALA 76 CO -0.06 -0.28 0.17 1.37 0.00 0.00 0.00 179.25 180.45 1wwv h LEU 77 N -0.16 0.08 -0.48 0.00 8.10 -1.34 0.21 115.31 121.73 1wwv h LEU 77 Ca -0.01 0.11 0.09 0.00 0.11 0.00 0.00 57.88 58.19 1wwv h LEU 77 Cb 0.04 0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 40.30 1wwv h LEU 77 CO 0.01 0.04 -0.29 -1.28 -4.11 0.00 0.00 178.44 172.81 1wwv h SER 78 N 0.31 -0.97 0.26 0.17 0.87 -0.37 -2.80 113.55 111.02 1wwv h SER 78 Ca 0.34 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 61.08 1wwv h SER 78 Cb 0.51 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wwv h SER 78 CO -0.40 -0.29 -0.13 0.28 -0.53 0.00 0.00 176.83 175.76 1wwv h SER 79 N -0.18 -0.30 -2.37 6.23 0.02 -1.26 -3.35 113.55 112.34 1wwv h SER 79 Ca 0.21 -0.23 -0.56 0.00 -0.84 0.00 0.00 61.79 60.37 1wwv h SER 79 Cb 0.52 0.08 0.22 0.00 0.14 0.00 0.00 62.40 63.35 1wwv h SER 79 CO -0.58 0.17 -1.32 -1.14 -1.14 0.00 0.00 176.83 172.82 1wwv n ARG 80 N -5.04 0.00 -0.10 3.45 3.00 0.67 -4.95 116.66 113.69 1wwv n ARG 80 Ca -0.08 0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.61 1wwv n ARG 80 Cb 0.26 -1.24 -0.08 0.00 0.00 0.00 0.00 32.46 31.40 1wwv n ARG 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1wwv n LEU 81 N 2.08 1.87 -4.15 6.15 4.32 -1.26 -4.83 117.00 121.17 1wwv n LEU 81 Ca 0.03 0.46 -0.34 0.00 -0.02 0.00 0.00 56.01 56.14 1wwv n LEU 81 Cb 0.53 -0.90 -0.14 0.00 -1.62 0.00 0.00 43.42 41.28 1wwv n LEU 81 CO 0.52 0.08 -0.41 -1.58 -1.22 0.00 0.00 177.39 174.78 1wwv s GLN 82 N -2.39 2.54 -0.15 3.23 -0.44 -1.26 -4.21 119.66 116.97 1wwv s GLN 82 Ca -0.27 -1.17 -0.09 0.00 -2.50 0.00 0.00 55.36 51.33 1wwv s GLN 82 Cb 0.06 -3.01 0.05 0.00 -1.64 0.00 0.00 33.01 28.48 1wwv s GLN 82 CO 0.46 -0.51 0.36 -0.08 0.50 0.00 0.00 175.29 176.02 1wwv s THR 83 N 1.24 -0.03 -0.66 -0.34 -1.32 -1.26 -5.09 115.64 108.18 1wwv s THR 83 Ca -0.04 0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.26 1wwv s THR 83 Cb -0.18 -0.54 -0.12 0.00 -1.51 0.00 0.00 72.50 70.15 1wwv s THR 83 CO -0.04 0.04 2.51 1.21 -2.21 0.00 0.00 174.62 176.13 1wwv n GLU 84 N 4.06 0.69 0.38 7.08 2.13 -1.26 -4.82 120.64 128.90 1wwv n GLU 84 Ca -0.22 -0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.44 1wwv n GLU 84 Cb 0.55 -2.79 -0.07 0.00 0.27 0.00 0.00 31.44 29.40 1wwv n GLU 84 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1wwv h ASN 85 N 17.04 -0.84 -5.83 4.31 2.35 -2.00 -3.47 115.58 127.14 1wwv h ASN 85 Ca -0.18 0.03 -0.38 0.00 -0.55 0.00 0.00 56.30 55.22 1wwv h ASN 85 Cb 1.28 0.22 0.13 0.00 0.05 0.00 0.00 38.32 40.00 1wwv h ASN 85 CO 1.24 -0.52 -0.72 -1.20 -1.65 0.00 0.00 177.43 174.57 1wwv n SER 86 N -5.11 -4.53 0.00 5.81 7.64 -1.26 -4.98 113.62 111.19 1wwv n SER 86 Ca -0.12 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1wwv n SER 86 Cb 0.39 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1wwv n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwv n GLY 87 N -1.67 0.59 3.70 0.23 0.00 -1.26 -4.96 105.19 101.82 1wwv n GLY 87 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.33 4.30 -0.19 1.61 0.04 -1.26 -4.94 135.00 134.88 1wwv s PRO 88 Ca 0.00 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1wwv s PRO 88 Cb 0.00 -3.44 -0.21 0.00 0.04 0.00 0.00 34.50 30.89 1wwv s PRO 88 CO 0.00 -0.52 0.22 -1.13 0.04 0.00 0.00 177.00 175.61 1wwv n SER 89 N 4.78 1.93 -4.67 6.66 3.41 -1.26 -4.90 113.62 119.57 1wwv n SER 89 Ca 0.13 0.36 -0.48 0.00 -0.26 0.00 0.00 58.87 58.61 1wwv n SER 89 Cb 0.43 -0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 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 -4.18 3.09 0.00 4.04 3.41 -1.26 -5.25 113.62 113.47 1wwv n SER 90 Ca -0.33 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1wwv n SER 90 Cb 0.79 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49