#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn0 h LEU 6 N 0.00 -1.81 -1.75 0.00 3.38 -1.99 -0.64 115.31 112.50 1wn0 h LEU 6 Ca 0.00 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1wn0 h LEU 6 Cb 0.00 0.75 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wn0 h LEU 6 CO 0.00 -0.39 0.18 -0.09 0.09 0.00 0.00 178.44 178.23 1wn0 h ARG 7 N -0.36 0.34 0.07 1.13 2.43 -2.00 -1.80 114.38 114.18 1wn0 h ARG 7 Ca 0.09 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 1wn0 h ARG 7 Cb 0.59 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1wn0 h ARG 7 CO -0.62 0.22 -1.09 1.05 -1.51 0.00 0.00 179.97 178.03 1wn0 h GLU 8 N 0.35 0.24 -0.77 0.20 4.11 -1.84 -2.27 114.58 114.59 1wn0 h GLU 8 Ca 0.10 -0.35 0.09 0.00 0.07 0.00 0.00 59.36 59.27 1wn0 h GLU 8 Cb -0.02 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1wn0 h GLU 8 CO -0.02 1.12 0.43 1.96 0.07 0.00 0.00 179.01 182.56 1wn0 h GLN 9 N 0.10 0.71 -0.17 1.06 4.20 -0.61 -2.27 115.11 118.13 1wn0 h GLN 9 Ca -0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wn0 h GLN 9 Cb 1.78 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 1wn0 h GLN 9 CO 0.17 0.47 0.01 1.25 -0.67 0.00 0.00 178.83 180.07 1wn0 h LEU 10 N 0.73 0.28 -0.79 1.46 5.85 -1.32 -0.67 115.31 120.85 1wn0 h LEU 10 Ca 0.37 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1wn0 h LEU 10 Cb 0.34 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1wn0 h LEU 10 CO -0.24 0.49 0.46 0.78 -0.34 0.00 0.00 178.44 179.59 1wn0 h ASN 11 N 0.05 0.68 0.18 1.25 -0.26 -1.19 -0.66 115.58 115.64 1wn0 h ASN 11 Ca 0.05 0.03 -0.31 0.00 -0.56 0.00 0.00 56.30 55.51 1wn0 h ASN 11 Cb 0.34 -0.10 0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1wn0 h ASN 11 CO 0.01 0.42 -1.33 0.00 -1.06 0.00 0.00 177.43 175.46 1wn0 h ALA 12 N 1.41 -0.09 0.13 -0.83 0.00 -1.36 0.12 119.26 118.65 1wn0 h ALA 12 Ca 0.36 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wn0 h ALA 12 Cb 0.26 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wn0 h ALA 12 CO -0.21 0.67 -0.08 1.25 0.00 0.00 0.00 179.25 180.89 1wn0 h LEU 13 N 0.19 -0.19 -0.39 0.00 6.46 -0.87 -0.87 115.31 119.65 1wn0 h LEU 13 Ca -0.22 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.61 1wn0 h LEU 13 Cb 2.02 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.95 1wn0 h LEU 13 CO 0.25 -0.13 0.09 -0.07 -0.62 0.00 0.00 178.44 177.96 1wn0 h LEU 14 N -0.20 0.03 -0.93 2.25 3.38 -1.12 -0.93 115.31 117.79 1wn0 h LEU 14 Ca -0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1wn0 h LEU 14 Cb 0.16 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1wn0 h LEU 14 CO 0.02 0.05 0.48 -1.28 0.09 0.00 0.00 178.44 177.80 1wn0 h SER 15 N 0.22 1.11 -0.68 -0.43 0.87 -0.49 -1.93 113.55 112.22 1wn0 h SER 15 Ca 0.18 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1wn0 h SER 15 Cb 0.21 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1wn0 h SER 15 CO -0.23 0.89 0.30 -1.28 -0.53 0.00 0.00 176.83 175.98 1wn0 h SER 16 N 1.24 0.92 -0.75 6.23 0.87 -0.92 -1.81 113.55 119.32 1wn0 h SER 16 Ca 0.31 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1wn0 h SER 16 Cb 0.04 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1wn0 h SER 16 CO -0.05 0.82 0.39 0.24 -0.53 0.00 0.00 176.83 177.70 1wn0 h MET 17 N 0.96 1.07 -0.04 2.24 2.07 -0.44 -2.67 114.93 118.11 1wn0 h MET 17 Ca 0.23 -0.14 -0.03 0.00 -2.07 0.00 0.00 59.70 57.70 1wn0 h MET 17 Cb 0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1wn0 h MET 17 CO -0.02 0.81 -0.07 0.74 1.07 0.00 0.00 176.91 179.43 1wn0 h PHE 18 N 1.05 0.15 -0.97 -0.22 -1.00 -1.31 -2.20 116.94 112.45 1wn0 h PHE 18 Ca 0.26 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 61.09 1wn0 h PHE 18 Cb 0.07 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.53 1wn0 h PHE 18 CO 0.00 0.65 0.62 0.00 -1.61 0.00 0.00 178.31 177.98 1wn0 h ALA 19 N 0.47 1.52 -0.06 2.45 0.00 -1.37 0.11 119.26 122.38 1wn0 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wn0 h ALA 19 Cb 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wn0 h ALA 19 CO 0.02 0.28 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1wn0 n SER 20 N -4.56 0.95 -1.06 0.00 7.64 -1.01 -4.93 113.62 110.66 1wn0 n SER 20 Ca 0.17 -1.45 -0.12 0.00 1.01 0.00 0.00 58.87 58.48 1wn0 n SER 20 Cb 0.29 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1wn0 n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wn0 n GLY 21 N 1.05 0.86 0.15 0.23 0.00 0.38 -4.88 105.19 102.97 1wn0 n GLY 21 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1wn0 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wn0 h LEU 22 N 0.00 0.13 -8.41 0.99 3.38 -1.62 -3.35 115.31 106.42 1wn0 h LEU 22 Ca -0.26 -0.08 -0.41 0.00 0.09 0.00 0.00 57.88 57.23 1wn0 h LEU 22 Cb 0.91 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.41 1wn0 h LEU 22 CO 0.35 0.72 -0.78 0.68 0.09 0.00 0.00 178.44 179.51 1wn0 s VAL 23 N -3.66 1.10 0.00 1.22 -7.23 -1.18 -3.21 120.40 107.44 1wn0 s VAL 23 Ca -0.03 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1wn0 s VAL 23 Cb 0.12 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1wn0 s VAL 23 CO 0.78 -0.24 0.00 -0.90 -0.31 0.00 0.00 175.10 174.43 1wn0 n ASP 24 N 1.25 1.11 0.11 4.85 3.85 -0.68 -4.43 116.55 122.60 1wn0 n ASP 24 Ca -0.21 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 53.85 1wn0 n ASP 24 Cb 0.54 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.53 1wn0 n ASP 24 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1wn0 h GLU 25 N 0.00 0.15 -0.80 0.11 4.57 -1.98 -1.24 114.58 115.39 1wn0 h GLU 25 Ca 0.00 -0.08 0.16 0.00 -1.18 0.00 0.00 59.36 58.26 1wn0 h GLU 25 Cb 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 1wn0 h GLU 25 CO 0.00 0.61 0.32 0.37 -1.18 0.00 0.00 179.01 179.13 1wn0 h GLN 26 N 0.13 0.42 -0.61 1.92 5.75 -1.92 0.70 115.11 121.48 1wn0 h GLN 26 Ca 0.00 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1wn0 h GLN 26 Cb 0.91 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1wn0 h GLN 26 CO 0.07 0.28 0.00 0.35 -2.65 0.00 0.00 178.83 176.88 1wn0 h PHE 27 N 0.43 1.18 -0.61 3.99 3.04 -1.34 -0.99 116.94 122.63 1wn0 h PHE 27 Ca 0.45 -0.20 -0.07 0.00 3.98 0.00 0.00 57.97 62.13 1wn0 h PHE 27 Cb 0.74 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1wn0 h PHE 27 CO -0.17 1.03 0.10 0.37 -2.02 0.00 0.00 178.31 177.62 1wn0 h GLN 28 N 0.99 0.99 -0.42 1.11 5.75 -1.27 -1.23 115.11 121.03 1wn0 h GLN 28 Ca 0.17 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1wn0 h GLN 28 Cb 0.56 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1wn0 h GLN 28 CO 0.03 0.92 0.01 1.96 -2.65 0.00 0.00 178.83 179.10 1wn0 h GLN 29 N 0.94 0.67 -0.56 1.69 4.20 -0.52 -1.94 115.11 119.59 1wn0 h GLN 29 Ca 0.19 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1wn0 h GLN 29 Cb 0.41 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1wn0 h GLN 29 CO 0.01 0.68 0.08 -0.07 -0.67 0.00 0.00 178.83 178.86 1wn0 h LEU 30 N 0.64 0.91 -1.60 1.46 3.38 -0.33 -0.59 115.31 119.18 1wn0 h LEU 30 Ca 0.13 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.92 1wn0 h LEU 30 Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1wn0 h LEU 30 CO 0.01 0.95 0.40 1.56 0.09 0.00 0.00 178.44 181.45 1wn0 h GLN 31 N 0.84 0.46 -0.03 1.13 4.20 -0.99 -0.17 115.11 120.54 1wn0 h GLN 31 Ca 0.17 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 1wn0 h GLN 31 Cb 0.43 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wn0 h GLN 31 CO 0.01 0.30 -0.74 0.52 -0.67 0.00 0.00 178.83 178.25 1wn0 h MET 32 N 0.47 0.55 -0.91 1.46 2.86 -0.70 -2.16 114.93 116.50 1wn0 h MET 32 Ca 0.27 -0.56 0.16 0.00 -2.06 0.00 0.00 59.70 57.51 1wn0 h MET 32 Cb 0.45 0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.16 1wn0 h MET 32 CO -0.08 1.18 0.50 1.25 1.06 0.00 0.00 176.91 180.82 1wn0 h LEU 33 N 0.13 0.63 0.28 1.22 6.46 -0.94 -0.98 115.31 122.12 1wn0 h LEU 33 Ca -0.09 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1wn0 h LEU 33 Cb 1.42 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 1wn0 h LEU 33 CO 0.15 0.25 -0.39 -0.61 -0.62 0.00 0.00 178.44 177.22 1wn0 h GLN 34 N 0.68 -0.70 0.00 1.25 5.75 -0.39 -1.21 115.11 120.50 1wn0 h GLN 34 Ca 0.50 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 59.02 1wn0 h GLN 34 Cb 0.73 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.43 1wn0 h GLN 34 CO -0.37 -0.47 -0.16 0.93 -2.65 0.00 0.00 178.83 176.11 1wn0 h GLU 35 N -0.73 0.00 0.00 1.69 5.08 -1.31 -3.11 114.58 116.20 1wn0 h GLU 35 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wn0 h GLU 35 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1wn0 h GLU 35 CO -0.13 0.16 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.49 1wn0 h ASP 36 N 0.00 0.00 -0.32 1.42 3.32 -0.69 -3.40 116.42 116.75 1wn0 h ASP 36 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wn0 h ASP 36 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1wn0 h ASP 36 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1wn0 n GLY 37 N 1.11 1.95 2.53 2.75 0.00 -0.50 -4.95 105.19 108.08 1wn0 n GLY 37 Ca 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1wn0 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn0 n GLY 38 N 0.79 -0.50 2.70 -0.02 0.00 -1.26 -4.91 105.19 101.99 1wn0 n GLY 38 Ca 0.13 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1wn0 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wn0 s THR 39 N -2.47 0.74 0.44 2.61 2.01 -1.26 -5.12 115.64 112.58 1wn0 s THR 39 Ca 0.03 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.43 1wn0 s THR 39 Cb -0.02 -1.56 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 1wn0 s THR 39 CO 0.04 -0.70 1.31 -2.65 -0.69 0.00 0.00 174.62 171.93 1wn0 n PRO 40 N 4.84 1.99 -0.11 4.92 -0.02 -1.26 -3.83 135.00 141.53 1wn0 n PRO 40 Ca -0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1wn0 n PRO 40 Cb 0.42 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1wn0 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wn0 n GLY 41 N 0.75 0.56 0.14 -1.23 0.00 -1.26 -4.96 105.19 99.18 1wn0 n GLY 41 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1wn0 n GLY 41 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wn0 h PHE 42 N 0.00 0.50 -0.22 1.61 3.57 -1.97 -1.55 116.94 118.87 1wn0 h PHE 42 Ca 0.00 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.31 1wn0 h PHE 42 Cb 0.00 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1wn0 h PHE 42 CO 0.00 0.97 0.04 0.28 -2.23 0.00 0.00 178.31 177.37 1wn0 h VAL 43 N -0.12 0.90 -0.91 1.41 2.07 -1.90 -0.47 116.25 117.24 1wn0 h VAL 43 Ca -0.02 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1wn0 h VAL 43 Cb 1.01 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1wn0 h VAL 43 CO 0.07 0.02 0.60 0.00 0.02 0.00 0.00 177.57 178.29 1wn0 h ALA 44 N 1.16 1.15 -0.48 1.67 0.00 -1.97 0.66 119.26 121.45 1wn0 h ALA 44 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wn0 h ALA 44 Cb 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1wn0 h ALA 44 CO -0.13 0.55 0.30 1.49 0.00 0.00 0.00 179.25 181.46 1wn0 h GLU 45 N 1.23 0.64 -0.28 0.00 4.57 -0.76 0.88 114.58 120.86 1wn0 h GLU 45 Ca 0.33 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 1wn0 h GLU 45 Cb -0.14 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1wn0 h GLU 45 CO -0.07 0.45 -0.13 0.28 -1.18 0.00 0.00 179.01 178.36 1wn0 h VAL 46 N 0.64 1.29 -0.30 0.32 2.07 -0.61 -1.19 116.25 118.48 1wn0 h VAL 46 Ca 0.17 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1wn0 h VAL 46 Cb -0.04 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1wn0 h VAL 46 CO -0.03 0.39 -0.15 0.58 0.02 0.00 0.00 177.57 178.37 1wn0 h VAL 47 N 0.33 1.24 -0.17 2.57 2.07 -0.84 -1.07 116.25 120.39 1wn0 h VAL 47 Ca 0.06 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.30 1wn0 h VAL 47 Cb 0.64 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1wn0 h VAL 47 CO 0.04 0.35 -0.69 0.74 0.02 0.00 0.00 177.57 178.03 1wn0 h THR 48 N 0.48 1.31 -0.82 2.57 2.02 -0.61 -2.14 112.91 115.71 1wn0 h THR 48 Ca 0.08 -1.94 0.02 0.00 0.77 0.00 0.00 66.41 65.34 1wn0 h THR 48 Cb 0.54 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1wn0 h THR 48 CO 0.03 0.61 0.54 -0.07 0.37 0.00 0.00 175.52 177.00 1wn0 h LEU 49 N 0.49 0.92 -0.07 2.58 4.07 -0.92 -0.38 115.31 122.00 1wn0 h LEU 49 Ca -0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1wn0 h LEU 49 Cb 1.29 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 1wn0 h LEU 49 CO 0.14 0.65 0.04 0.15 -1.08 0.00 0.00 178.44 178.34 1wn0 h PHE 50 N 1.08 0.09 -0.85 1.13 3.57 -1.10 0.42 116.94 121.29 1wn0 h PHE 50 Ca 0.31 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.86 1wn0 h PHE 50 Cb -0.08 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1wn0 h PHE 50 CO -0.02 0.11 0.53 0.00 -2.23 0.00 0.00 178.31 176.70 1wn0 h ASP 52 N 0.98 0.90 -0.01 0.00 3.45 -0.85 -2.61 116.42 118.28 1wn0 h ASP 52 Ca 0.36 -0.69 -0.00 0.00 0.43 0.00 0.00 57.03 57.12 1wn0 h ASP 52 Cb 0.13 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1wn0 h ASP 52 CO -0.16 1.50 -0.00 0.44 -1.57 0.00 0.00 179.24 179.45 1wn0 h ASP 53 N 0.42 0.02 -0.56 6.45 3.32 -0.77 -1.95 116.42 123.34 1wn0 h ASP 53 Ca -0.11 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 1wn0 h ASP 53 Cb 1.63 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 1wn0 h ASP 53 CO 0.19 0.38 -0.03 0.00 -1.72 0.00 0.00 179.24 178.06 1wn0 h ALA 54 N 0.64 0.86 -0.16 3.45 0.00 -0.52 0.21 119.26 123.74 1wn0 h ALA 54 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wn0 h ALA 54 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wn0 h ALA 54 CO 0.00 0.66 0.10 0.22 0.00 0.00 0.00 179.25 180.23 1wn0 h ASP 55 N 0.93 0.19 0.14 0.00 3.58 -1.47 -1.44 116.42 118.36 1wn0 h ASP 55 Ca 0.16 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 1wn0 h ASP 55 Cb 0.58 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1wn0 h ASP 55 CO 0.03 0.17 -0.40 -0.09 -2.88 0.00 0.00 179.24 176.07 1wn0 h ARG 56 N 0.20 0.34 -0.12 0.28 2.43 -1.10 -2.67 114.38 113.75 1wn0 h ARG 56 Ca 0.06 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1wn0 h ARG 56 Cb 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1wn0 h ARG 56 CO -0.01 0.69 -0.23 0.82 -1.51 0.00 0.00 179.97 179.74 1wn0 h ILE 57 N 0.29 1.38 -0.85 1.20 2.04 -0.60 -1.84 117.51 119.12 1wn0 h ILE 57 Ca 0.03 -1.50 0.20 0.00 1.00 0.00 0.00 64.86 64.58 1wn0 h ILE 57 Cb 0.84 2.07 -0.12 0.00 -0.74 0.00 0.00 36.82 38.87 1wn0 h ILE 57 CO 0.07 0.44 0.32 0.40 0.00 0.00 0.00 178.15 179.37 1wn0 h ILE 58 N -0.06 0.48 -0.37 -0.67 2.04 -1.32 0.17 117.51 117.78 1wn0 h ILE 58 Ca 0.00 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 1wn0 h ILE 58 Cb 0.82 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1wn0 h ILE 58 CO 0.05 0.07 -0.33 0.28 0.00 0.00 0.00 178.15 178.22 1wn0 h SER 59 N 0.36 0.88 -0.45 1.72 0.02 -1.21 -0.48 113.55 114.38 1wn0 h SER 59 Ca 0.51 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1wn0 h SER 59 Cb 0.94 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1wn0 h SER 59 CO -0.53 1.12 0.18 -0.33 -1.14 0.00 0.00 176.83 176.14 1wn0 h GLU 60 N 0.70 0.68 -0.91 3.45 5.08 -0.45 -2.82 114.58 120.31 1wn0 h GLU 60 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wn0 h GLU 60 Cb 0.89 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1wn0 h GLU 60 CO 0.08 0.61 0.58 -0.07 -1.00 0.00 0.00 179.01 179.21 1wn0 h LEU 61 N 0.59 1.06 -0.50 1.33 3.38 -0.39 -2.35 115.31 118.42 1wn0 h LEU 61 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1wn0 h LEU 61 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1wn0 h LEU 61 CO -0.01 0.78 0.22 0.00 0.09 0.00 0.00 178.44 179.53 1wn0 h ALA 62 N 1.32 0.65 -0.54 1.53 0.00 -0.97 -1.17 119.26 120.09 1wn0 h ALA 62 Ca 0.33 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1wn0 h ALA 62 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1wn0 h ALA 62 CO -0.07 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.35 1wn0 h ALA 63 N 1.07 0.86 -0.27 0.00 0.00 -1.38 -2.94 119.26 116.60 1wn0 h ALA 63 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1wn0 h ALA 63 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wn0 h ALA 63 CO -0.02 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.89 1wn0 h LEU 64 N 0.88 0.40 0.00 0.00 4.07 -1.24 -2.96 115.31 116.45 1wn0 h LEU 64 Ca 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1wn0 h LEU 64 Cb 0.61 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1wn0 h LEU 64 CO 0.04 0.51 0.00 0.18 -1.08 0.00 0.00 178.44 178.09 1wn0 n LEU 65 N -4.71 0.00 -0.44 1.67 4.77 -0.46 -1.86 117.00 115.98 1wn0 n LEU 65 Ca -0.03 0.32 0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1wn0 n LEU 65 Cb 0.17 -0.32 0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1wn0 n LEU 65 CO 0.36 -0.19 0.56 -0.67 -1.33 0.00 0.00 177.39 176.12 1wn0 n ASP 66 N -1.32 2.50 -4.87 -1.43 2.03 -1.12 -5.00 116.55 107.33 1wn0 n ASP 66 Ca 0.05 -1.89 -0.31 0.00 0.52 0.00 0.00 54.79 53.17 1wn0 n ASP 66 Cb 0.11 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1wn0 n ASP 66 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1wn0 s GLN 67 N -0.94 3.64 0.19 -0.67 -1.52 -0.77 -4.96 119.66 114.62 1wn0 s GLN 67 Ca 0.15 0.72 -0.14 0.00 -1.95 0.00 0.00 55.36 54.14 1wn0 s GLN 67 Cb 0.08 -2.12 0.20 0.00 -0.22 0.00 0.00 33.01 30.95 1wn0 s GLN 67 CO 0.11 -0.49 1.65 -1.35 -0.25 0.00 0.00 175.29 174.96 1wn0 h PRO 68 N -0.10 0.02 -5.05 2.91 0.11 -1.95 -3.37 132.00 124.57 1wn0 h PRO 68 Ca -0.45 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.99 1wn0 h PRO 68 Cb 1.19 -0.01 -0.35 0.00 0.11 0.00 0.00 31.00 31.95 1wn0 h PRO 68 CO 0.62 0.02 -0.85 0.42 -0.21 0.00 0.00 178.00 177.99 1wn0 s ILE 69 N -6.21 2.11 0.07 4.15 1.01 -1.26 -5.10 121.20 115.96 1wn0 s ILE 69 Ca -0.14 -0.96 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 1wn0 s ILE 69 Cb 0.17 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 1wn0 s ILE 69 CO 0.73 0.51 0.81 -0.69 0.00 0.00 0.00 174.94 176.30 1wn0 s VAL 70 N 1.29 4.64 -0.93 2.92 1.01 -1.26 -5.01 120.40 123.05 1wn0 s VAL 70 Ca 0.04 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.61 1wn0 s VAL 70 Cb -0.13 -4.17 0.18 0.00 0.00 0.00 0.00 36.38 32.26 1wn0 s VAL 70 CO -0.12 0.37 1.01 -0.62 0.00 0.00 0.00 175.10 175.74 1wn0 s ASP 71 N -0.16 6.77 0.54 3.32 -1.08 -1.26 -4.90 116.67 119.90 1wn0 s ASP 71 Ca 0.40 -2.49 0.22 0.00 -0.52 0.00 0.00 52.55 50.16 1wn0 s ASP 71 Cb -0.21 -2.31 1.48 0.00 -1.46 0.00 0.00 42.92 40.41 1wn0 s ASP 71 CO 0.25 -0.79 2.17 -0.26 0.52 0.00 0.00 175.17 177.06 1wn0 h PHE 72 N 8.12 0.00 -0.33 -5.34 0.04 -1.95 -2.51 116.94 114.97 1wn0 h PHE 72 Ca 0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 1wn0 h PHE 72 Cb 1.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1wn0 h PHE 72 CO 1.08 0.03 -0.14 -0.44 -0.60 0.00 0.00 178.31 178.25 1wn0 h ASP 73 N 0.00 0.69 -0.30 2.17 3.32 -1.91 -0.09 116.42 120.30 1wn0 h ASP 73 Ca -0.00 -0.40 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 1wn0 h ASP 73 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1wn0 h ASP 73 CO 0.00 0.93 -0.11 0.50 -1.72 0.00 0.00 179.24 178.85 1wn0 h LYS 74 N 0.44 0.71 0.14 3.56 3.64 -1.88 -1.63 116.57 121.56 1wn0 h LYS 74 Ca 0.08 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1wn0 h LYS 74 Cb 0.66 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1wn0 h LYS 74 CO 0.04 0.80 -0.07 0.28 -2.27 0.00 0.00 179.45 178.24 1wn0 h VAL 75 N 0.65 0.95 -0.73 2.00 2.07 -1.38 -1.82 116.25 117.99 1wn0 h VAL 75 Ca 0.11 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1wn0 h VAL 75 Cb 0.56 1.15 -0.12 0.00 -1.52 0.00 0.00 31.29 31.37 1wn0 h VAL 75 CO 0.04 0.08 0.11 -0.78 0.02 0.00 0.00 177.57 177.03 1wn0 h ASP 76 N -0.34 -0.13 -0.15 0.57 3.58 -1.01 0.23 116.42 119.17 1wn0 h ASP 76 Ca -0.02 0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 1wn0 h ASP 76 Cb 0.27 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1wn0 h ASP 76 CO 0.03 -0.09 -0.27 0.00 -2.88 0.00 0.00 179.24 176.03 1wn0 h ALA 77 N 1.64 0.97 -0.20 -0.78 0.00 -1.02 -0.49 119.26 119.37 1wn0 h ALA 77 Ca 0.41 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1wn0 h ALA 77 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wn0 h ALA 77 CO -0.56 0.60 -0.38 1.88 0.00 0.00 0.00 179.25 180.79 1wn0 h TYR 78 N 0.53 0.52 -0.34 0.00 0.05 -0.43 -2.07 116.97 115.25 1wn0 h TYR 78 Ca 0.07 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 1wn0 h TYR 78 Cb 0.74 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1wn0 h TYR 78 CO 0.03 0.76 -0.20 0.28 -1.05 0.00 0.00 178.16 177.99 1wn0 h VAL 79 N 0.37 1.29 -0.62 -2.88 2.07 -0.56 -1.35 116.25 114.57 1wn0 h VAL 79 Ca 0.04 -1.33 0.08 0.00 0.82 0.00 0.00 66.70 66.31 1wn0 h VAL 79 Cb 0.84 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1wn0 h VAL 79 CO 0.07 0.43 0.28 -0.74 0.02 0.00 0.00 177.57 177.63 1wn0 h HIS 80 N 0.50 0.50 -0.81 1.57 -0.00 -1.03 -0.08 115.15 115.80 1wn0 h HIS 80 Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1wn0 h HIS 80 Cb 0.75 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 1wn0 h HIS 80 CO 0.06 0.18 0.43 1.96 -0.00 0.00 0.00 177.93 180.56 1wn0 h GLN 81 N 0.51 1.15 -0.20 5.26 4.20 -1.19 -0.34 115.11 124.49 1wn0 h GLN 81 Ca 0.30 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1wn0 h GLN 81 Cb 0.30 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1wn0 h GLN 81 CO -0.25 0.86 -0.38 1.25 -0.67 0.00 0.00 178.83 179.64 1wn0 h LEU 82 N 1.14 0.48 -0.42 1.46 5.85 -1.05 -1.08 115.31 121.69 1wn0 h LEU 82 Ca 0.28 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1wn0 h LEU 82 Cb 0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1wn0 h LEU 82 CO -0.04 0.81 0.25 0.50 -0.34 0.00 0.00 178.44 179.62 1wn0 h LYS 83 N 0.38 0.50 -0.43 1.25 3.64 -0.19 -0.53 116.57 121.19 1wn0 h LYS 83 Ca 0.04 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1wn0 h LYS 83 Cb 0.84 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1wn0 h LYS 83 CO 0.07 0.33 -0.14 0.78 -2.27 0.00 0.00 179.45 178.22 1wn0 h GLY 84 N 0.51 0.92 0.62 5.01 0.00 -0.96 -0.21 103.07 108.96 1wn0 h GLY 84 Ca 0.16 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.77 1wn0 h GLY 84 CO -0.07 0.71 0.19 0.23 0.00 0.00 0.00 176.54 177.60 1wn0 h SER 85 N 0.67 0.22 0.18 0.19 0.87 -1.03 -1.49 113.55 113.17 1wn0 h SER 85 Ca 0.10 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.46 1wn0 h SER 85 Cb 0.68 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1wn0 h SER 85 CO 0.05 0.16 -1.00 0.77 -0.53 0.00 0.00 176.83 176.28 1wn0 h SER 86 N 0.38 0.72 0.46 6.23 4.64 -0.87 -2.54 113.55 122.57 1wn0 h SER 86 Ca 0.22 -0.58 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 1wn0 h SER 86 Cb 0.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1wn0 h SER 86 CO -0.20 1.38 -0.22 0.00 -0.87 0.00 0.00 176.83 176.92 1wn0 h ALA 87 N 0.57 1.28 0.00 5.18 0.00 -0.91 -1.08 119.26 124.30 1wn0 h ALA 87 Ca -0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1wn0 h ALA 87 Cb 1.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wn0 h ALA 87 CO 0.18 0.28 -0.28 0.66 0.00 0.00 0.00 179.25 180.09 1wn0 h SER 88 N 0.00 0.00 -0.02 0.00 4.64 -0.82 -2.99 113.55 114.36 1wn0 h SER 88 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wn0 h SER 88 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1wn0 h SER 88 CO 0.03 0.28 0.00 1.33 -0.87 0.00 0.00 176.83 177.59 1wn0 n VAL 89 N -3.95 0.05 -1.92 0.95 0.24 -1.01 -4.93 118.33 107.76 1wn0 n VAL 89 Ca -0.02 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1wn0 n VAL 89 Cb 0.35 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1wn0 n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wn0 n GLY 90 N 0.48 0.55 3.46 7.63 0.00 -0.58 -3.91 105.19 112.83 1wn0 n GLY 90 Ca 0.05 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1wn0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wn0 n ALA 91 N -1.17 3.84 -0.14 4.61 0.00 -0.51 -1.69 120.51 125.45 1wn0 n ALA 91 Ca 0.00 -3.91 -0.07 0.00 0.00 0.00 0.00 53.44 49.47 1wn0 n ALA 91 Cb 0.46 -3.53 0.02 0.00 0.00 0.00 0.00 19.45 16.41 1wn0 n ALA 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wn0 h GLN 92 N 7.32 0.48 -0.10 0.00 4.15 -1.78 -1.45 115.11 123.73 1wn0 h GLN 92 Ca 0.45 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.68 1wn0 h GLN 92 Cb 0.84 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1wn0 h GLN 92 CO 1.49 0.32 -0.60 0.87 -1.93 0.00 0.00 178.83 178.97 1wn0 h LYS 93 N 0.50 0.34 -0.58 1.69 1.57 -1.76 -2.30 116.57 116.02 1wn0 h LYS 93 Ca 0.17 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1wn0 h LYS 93 Cb 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1wn0 h LYS 93 CO -0.09 0.84 -0.05 0.28 -0.57 0.00 0.00 179.45 179.86 1wn0 h VAL 94 N 0.25 1.27 -0.51 0.50 2.07 -1.79 -2.10 116.25 115.95 1wn0 h VAL 94 Ca -0.01 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1wn0 h VAL 94 Cb 1.12 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1wn0 h VAL 94 CO 0.10 0.44 0.20 0.50 0.02 0.00 0.00 177.57 178.83 1wn0 h LYS 95 N 0.96 0.76 -0.27 1.57 3.64 -1.11 -1.63 116.57 120.48 1wn0 h LYS 95 Ca 0.16 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1wn0 h LYS 95 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1wn0 h LYS 95 CO 0.04 0.67 0.06 0.74 -2.27 0.00 0.00 179.45 178.69 1wn0 h PHE 96 N 0.68 0.46 -0.10 1.91 0.05 -1.36 -2.20 116.94 116.38 1wn0 h PHE 96 Ca 0.17 -0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.87 1wn0 h PHE 96 Cb 0.19 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1wn0 h PHE 96 CO 0.00 0.52 -0.09 1.15 -0.18 0.00 0.00 178.31 179.72 1wn0 h THR 97 N 0.27 1.13 0.00 -1.55 2.02 -1.19 -2.30 112.91 111.29 1wn0 h THR 97 Ca 0.08 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1wn0 h THR 97 Cb 0.30 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1wn0 h THR 97 CO 0.00 0.17 -0.12 0.00 0.37 0.00 0.00 175.52 175.95 1wn0 h MET 99 N 0.00 0.77 -0.62 0.00 2.07 -1.21 0.16 114.93 116.10 1wn0 h MET 99 Ca -0.00 -0.45 -0.02 0.00 -2.07 0.00 0.00 59.70 57.15 1wn0 h MET 99 Cb 0.22 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.96 1wn0 h MET 99 CO 0.02 1.08 0.30 1.96 1.07 0.00 0.00 176.91 181.33 1wn0 h GLN 100 N 0.52 0.89 -0.44 1.72 7.50 -1.37 -2.89 115.11 121.04 1wn0 h GLN 100 Ca 0.03 -0.13 0.05 0.00 0.50 0.00 0.00 58.65 59.10 1wn0 h GLN 100 Cb 0.99 -0.16 -0.05 0.00 0.05 0.00 0.00 27.48 28.32 1wn0 h GLN 100 CO 0.09 0.72 0.17 0.35 -1.50 0.00 0.00 178.83 178.66 1wn0 h PHE 101 N 0.85 0.30 -0.81 2.96 -0.00 -0.57 -1.99 116.94 117.68 1wn0 h PHE 101 Ca 0.21 0.02 0.08 0.00 -0.00 0.00 0.00 57.97 58.28 1wn0 h PHE 101 Cb 0.12 -0.07 -0.07 0.00 -0.00 0.00 0.00 35.95 35.94 1wn0 h PHE 101 CO 0.00 0.12 0.48 -0.09 -0.00 0.00 0.00 178.31 178.82 1wn0 h ARG 102 N 0.35 0.81 -0.01 1.11 2.43 -0.53 -2.22 114.38 116.32 1wn0 h ARG 102 Ca 0.20 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 1wn0 h ARG 102 Cb 0.18 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1wn0 h ARG 102 CO -0.19 0.54 -0.70 1.96 -1.51 0.00 0.00 179.97 180.06 1wn0 h GLN 103 N 0.84 0.06 0.00 0.20 1.08 -1.20 -1.76 115.11 114.32 1wn0 h GLN 103 Ca 0.38 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.38 1wn0 h GLN 103 Cb 0.27 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1wn0 h GLN 103 CO -0.21 0.74 -0.70 -0.07 -0.95 0.00 0.00 178.83 177.63 1wn0 h LEU 104 N 0.04 0.00 -0.18 1.46 3.38 -0.97 -2.04 115.31 117.00 1wn0 h LEU 104 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1wn0 h LEU 104 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1wn0 h LEU 104 CO 0.10 0.70 -0.29 0.00 0.09 0.00 0.00 178.44 179.04 1wn0 h GLN 106 N 0.18 1.12 0.00 0.00 4.20 -1.23 -0.86 115.11 118.52 1wn0 h GLN 106 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1wn0 h GLN 106 Cb 0.87 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1wn0 h GLN 106 CO 0.07 0.74 0.00 -3.47 -0.67 0.00 0.00 178.83 175.50 1wn0 n ASP 107 N -4.45 0.00 -2.99 1.46 -0.08 -0.78 -4.92 116.55 104.79 1wn0 n ASP 107 Ca 0.13 -0.31 -0.19 0.00 -1.51 0.00 0.00 54.79 52.91 1wn0 n ASP 107 Cb 0.11 -0.23 0.06 0.00 2.34 0.00 0.00 41.12 43.41 1wn0 n ASP 107 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wn0 n LYS 108 N -1.23 -6.43 -3.54 -0.67 5.02 -0.33 -4.94 118.16 106.05 1wn0 n LYS 108 Ca 0.16 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1wn0 n LYS 108 Cb 0.21 -5.23 -0.07 0.00 -0.02 0.00 0.00 35.03 29.93 1wn0 n LYS 108 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wn0 s ASN 109 N -3.27 5.89 0.15 4.39 3.84 -0.70 -4.97 114.94 120.27 1wn0 s ASN 109 Ca 0.47 -2.58 -0.19 0.00 0.21 0.00 0.00 52.86 50.76 1wn0 s ASN 109 Cb -0.21 -2.02 0.03 0.00 -0.55 0.00 0.00 41.25 38.51 1wn0 s ASN 109 CO 0.59 -0.52 1.67 -0.09 -2.79 0.00 0.00 177.10 175.96 1wn0 h ARG 110 N 7.63 -0.07 -0.67 0.43 2.43 -1.92 -0.34 114.38 121.86 1wn0 h ARG 110 Ca -0.02 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1wn0 h ARG 110 Cb 1.01 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 1wn0 h ARG 110 CO 0.76 -0.04 0.05 -0.44 -1.51 0.00 0.00 179.97 178.79 1wn0 h ASP 111 N -0.07 -0.21 -0.22 -3.80 3.45 -1.96 0.49 116.42 114.09 1wn0 h ASP 111 Ca 0.14 0.16 -0.07 0.00 0.43 0.00 0.00 57.03 57.69 1wn0 h ASP 111 Cb 0.28 0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1wn0 h ASP 111 CO -0.32 -0.11 -0.09 1.23 -1.57 0.00 0.00 179.24 178.38 1wn0 h GLY 112 N 0.16 0.64 1.44 2.75 0.00 -1.78 -1.37 103.07 104.91 1wn0 h GLY 112 Ca 0.36 -0.45 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1wn0 h GLY 112 CO -0.55 0.41 -1.01 0.00 0.00 0.00 0.00 176.54 175.40 1wn0 h ILE 114 N 0.27 1.25 -0.18 0.00 2.04 -0.55 -0.05 117.51 120.29 1wn0 h ILE 114 Ca -0.10 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1wn0 h ILE 114 Cb 1.65 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1wn0 h ILE 114 CO 0.18 0.28 -0.06 -0.03 0.00 0.00 0.00 178.15 178.52 1wn0 h MET 115 N 1.22 0.36 -0.91 2.37 4.05 -1.01 -2.20 114.93 118.81 1wn0 h MET 115 Ca 0.31 -0.14 0.08 0.00 -0.28 0.00 0.00 59.70 59.67 1wn0 h MET 115 Cb 0.01 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.73 1wn0 h MET 115 CO -0.05 0.63 0.59 0.00 0.23 0.00 0.00 176.91 178.31 1wn0 h ALA 116 N 0.71 1.56 -0.61 0.39 0.00 -0.84 -0.57 119.26 119.91 1wn0 h ALA 116 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1wn0 h ALA 116 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wn0 h ALA 116 CO 0.02 0.28 -0.00 1.25 0.00 0.00 0.00 179.25 180.80 1wn0 h LEU 117 N 0.97 1.05 -0.81 0.00 5.85 -0.97 -0.50 115.31 120.90 1wn0 h LEU 117 Ca 0.41 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1wn0 h LEU 117 Cb 0.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1wn0 h LEU 117 CO -0.17 1.10 0.01 0.00 -0.34 0.00 0.00 178.44 179.04 1wn0 h ALA 118 N 1.01 1.01 -0.49 1.25 0.00 -0.72 -0.75 119.26 120.56 1wn0 h ALA 118 Ca 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1wn0 h ALA 118 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1wn0 h ALA 118 CO 0.03 0.61 0.19 0.28 0.00 0.00 0.00 179.25 180.36 1wn0 h VAL 119 N 0.84 1.22 -0.52 0.00 2.07 -0.75 -2.52 116.25 116.58 1wn0 h VAL 119 Ca 0.16 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1wn0 h VAL 119 Cb 0.48 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1wn0 h VAL 119 CO 0.02 0.25 0.33 0.58 0.02 0.00 0.00 177.57 178.77 1wn0 h VAL 120 N 0.66 1.08 -0.31 2.57 2.07 -0.95 -0.41 116.25 120.95 1wn0 h VAL 120 Ca 0.16 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1wn0 h VAL 120 Cb 0.21 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1wn0 h VAL 120 CO -0.01 0.12 -0.04 -0.09 0.02 0.00 0.00 177.57 177.56 1wn0 h ARG 121 N 0.65 0.59 -0.74 1.57 2.43 -1.11 0.23 114.38 118.00 1wn0 h ARG 121 Ca 0.20 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wn0 h ARG 121 Cb -0.01 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1wn0 h ARG 121 CO -0.08 0.75 0.47 -0.91 -1.51 0.00 0.00 179.97 178.69 1wn0 h ASN 122 N 0.37 0.87 0.45 -3.80 -0.26 -1.29 -1.39 115.58 110.53 1wn0 h ASN 122 Ca 0.08 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 1wn0 h ASN 122 Cb 0.52 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 1wn0 h ASN 122 CO 0.03 0.65 -0.40 -0.33 -1.06 0.00 0.00 177.43 176.32 1wn0 h GLU 123 N 1.00 0.00 0.09 0.81 5.08 -0.55 -2.10 114.58 118.92 1wn0 h GLU 123 Ca 0.27 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.39 1wn0 h GLU 123 Cb -0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.20 1wn0 h GLU 123 CO -0.05 0.40 -1.00 0.35 -1.00 0.00 0.00 179.01 177.70 1wn0 h PHE 124 N 0.00 0.83 -0.35 4.33 3.57 -0.14 -2.78 116.94 122.40 1wn0 h PHE 124 Ca -0.00 -0.52 -0.07 0.00 3.53 0.00 0.00 57.97 60.91 1wn0 h PHE 124 Cb 0.73 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1wn0 h PHE 124 CO 0.00 1.37 -0.08 1.88 -2.23 0.00 0.00 178.31 179.25 1wn0 h TYR 125 N 0.06 0.63 -0.23 0.41 0.05 -1.12 -1.55 116.97 115.23 1wn0 h TYR 125 Ca -0.15 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.49 1wn0 h TYR 125 Cb 1.71 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.27 1wn0 h TYR 125 CO 0.14 0.66 -0.05 0.22 -1.05 0.00 0.00 178.16 178.08 1wn0 h ASP 126 N 0.55 0.43 -0.12 3.88 3.58 -1.38 -2.59 116.42 120.78 1wn0 h ASP 126 Ca 0.10 -0.36 -0.17 0.00 0.42 0.00 0.00 57.03 57.02 1wn0 h ASP 126 Cb 0.47 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1wn0 h ASP 126 CO 0.03 0.69 -0.55 0.25 -2.88 0.00 0.00 179.24 176.78 1wn0 h LEU 127 N 0.17 0.79 0.16 2.28 6.46 -1.37 -2.56 115.31 121.23 1wn0 h LEU 127 Ca 0.06 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1wn0 h LEU 127 Cb 0.50 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1wn0 h LEU 127 CO 0.02 1.17 -0.07 -0.09 -0.62 0.00 0.00 178.44 178.85 1wn0 h ARG 128 N 0.54 -0.20 -0.95 1.25 2.43 -1.25 0.44 114.38 116.64 1wn0 h ARG 128 Ca 0.01 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1wn0 h ARG 128 Cb 1.12 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.64 1wn0 h ARG 128 CO 0.11 -0.05 0.61 -0.91 -1.51 0.00 0.00 179.97 178.22 1wn0 h ASN 129 N -0.30 0.87 -0.41 -3.80 2.35 -1.43 -0.30 115.58 112.55 1wn0 h ASN 129 Ca -0.02 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1wn0 h ASN 129 Cb 0.24 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1wn0 h ASN 129 CO 0.04 0.49 0.10 0.11 -1.65 0.00 0.00 177.43 176.51 1wn0 h LYS 130 N 0.94 0.66 -0.29 0.81 1.79 -1.02 -2.46 116.57 117.00 1wn0 h LYS 130 Ca 0.45 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.68 1wn0 h LYS 130 Cb 0.45 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1wn0 h LYS 130 CO -0.22 0.67 -0.20 0.74 -1.08 0.00 0.00 179.45 179.37 1wn0 h PHE 131 N 0.53 0.60 -0.34 -1.35 0.04 0.11 0.18 116.94 116.71 1wn0 h PHE 131 Ca 0.13 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1wn0 h PHE 131 Cb 0.31 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1wn0 h PHE 131 CO 0.02 0.71 0.20 1.96 -0.60 0.00 0.00 178.31 180.59 1wn0 h GLN 132 N 0.48 0.46 0.02 1.51 4.20 -1.04 -0.36 115.11 120.38 1wn0 h GLN 132 Ca 0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1wn0 h GLN 132 Cb 0.62 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1wn0 h GLN 132 CO 0.04 0.36 -0.01 1.15 -0.67 0.00 0.00 178.83 179.70 1wn0 h THR 133 N 0.43 0.99 -0.48 -0.54 2.02 -1.31 0.33 112.91 114.35 1wn0 h THR 133 Ca 0.12 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.34 1wn0 h THR 133 Cb 0.02 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1wn0 h THR 133 CO -0.02 0.01 0.12 -0.03 0.37 0.00 0.00 175.52 175.97 1wn0 h MET 134 N -0.04 0.26 -0.02 6.66 1.85 -0.38 -0.93 114.93 122.32 1wn0 h MET 134 Ca -0.00 -0.02 -0.22 0.00 -0.61 0.00 0.00 59.70 58.86 1wn0 h MET 134 Cb 0.04 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1wn0 h MET 134 CO 0.00 0.17 -0.89 -0.07 -0.40 0.00 0.00 176.91 175.72 1wn0 h LEU 135 N 0.26 0.51 -0.41 3.39 3.38 -0.87 -1.38 115.31 120.19 1wn0 h LEU 135 Ca 0.24 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1wn0 h LEU 135 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1wn0 h LEU 135 CO -0.29 1.18 0.17 1.56 0.09 0.00 0.00 178.44 181.15 1wn0 h GLN 136 N 0.23 0.61 -0.86 1.13 4.20 0.16 -2.11 115.11 118.46 1wn0 h GLN 136 Ca -0.07 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wn0 h GLN 136 Cb 1.52 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 1wn0 h GLN 136 CO 0.15 0.57 0.57 -0.07 -0.67 0.00 0.00 178.83 179.38 1wn0 h LEU 137 N 0.52 0.97 -0.60 1.46 3.38 -1.06 -1.86 115.31 118.13 1wn0 h LEU 137 Ca 0.14 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1wn0 h LEU 137 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1wn0 h LEU 137 CO -0.01 0.69 -0.27 -0.33 0.09 0.00 0.00 178.44 178.61 1wn0 h GLU 138 N 1.14 0.82 0.34 1.13 5.08 -0.97 -1.95 114.58 120.17 1wn0 h GLU 138 Ca 0.32 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1wn0 h GLU 138 Cb -0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1wn0 h GLU 138 CO -0.08 0.99 -0.27 1.96 -1.00 0.00 0.00 179.01 180.62 1wn0 h GLN 139 N 0.70 -0.59 -0.46 2.33 4.20 -1.20 -2.42 115.11 117.66 1wn0 h GLN 139 Ca 0.08 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wn0 h GLN 139 Cb 0.81 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1wn0 h GLN 139 CO 0.07 -0.40 0.29 1.96 -0.67 0.00 0.00 178.83 180.09 1wn0 h GLN 140 N -0.62 0.62 -0.48 1.46 4.20 -1.22 -2.33 115.11 116.75 1wn0 h GLN 140 Ca -0.03 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1wn0 h GLN 140 Cb 0.54 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1wn0 h GLN 140 CO -0.01 0.42 0.10 0.82 -0.67 0.00 0.00 178.83 179.49 1wn0 h ILE 141 N 0.63 1.24 0.00 2.54 2.04 -1.26 -3.52 117.51 119.18 1wn0 h ILE 141 Ca 0.17 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1wn0 h ILE 141 Cb -0.05 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1wn0 h ILE 141 CO -0.03 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.42