#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn5 s LEU 3 N 0.00 4.38 0.97 2.45 1.43 -1.26 -4.78 118.68 121.87 1wn5 s LEU 3 Ca 0.00 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1wn5 s LEU 3 Cb 0.00 -2.69 0.17 0.00 0.03 0.00 0.00 46.19 43.70 1wn5 s LEU 3 CO 0.00 0.25 1.14 -0.94 0.23 0.00 0.00 176.35 177.03 1wn5 s SER 4 N -1.62 2.95 0.17 2.29 1.04 -1.26 -4.77 113.70 112.50 1wn5 s SER 4 Ca 0.28 0.93 -0.15 0.00 0.48 0.00 0.00 55.95 57.49 1wn5 s SER 4 Cb -0.14 -1.46 0.06 0.00 0.10 0.00 0.00 66.02 64.59 1wn5 s SER 4 CO 0.15 -2.90 1.82 -0.61 0.98 0.00 0.00 173.24 172.69 1wn5 h GLN 5 N -1.74 0.60 -0.47 4.02 5.75 -1.99 -1.00 115.11 120.28 1wn5 h GLN 5 Ca -0.51 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 57.88 1wn5 h GLN 5 Cb 1.32 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1wn5 h GLN 5 CO 0.56 0.40 -0.03 0.93 -2.65 0.00 0.00 178.83 178.04 1wn5 h GLU 6 N 0.62 0.80 -0.47 1.69 5.08 -1.99 -1.27 114.58 119.03 1wn5 h GLU 6 Ca 0.18 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1wn5 h GLU 6 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1wn5 h GLU 6 CO -0.06 0.82 0.10 0.93 -1.00 0.00 0.00 179.01 179.81 1wn5 h GLU 7 N 0.74 0.77 -0.03 2.33 5.08 -1.80 -1.82 114.58 119.85 1wn5 h GLU 7 Ca 0.14 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1wn5 h GLU 7 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wn5 h GLU 7 CO 0.02 0.76 -0.30 0.66 -1.00 0.00 0.00 179.01 179.16 1wn5 h SER 8 N 0.65 0.05 0.11 1.42 4.64 -0.96 -2.07 113.55 117.39 1wn5 h SER 8 Ca 0.15 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1wn5 h SER 8 Cb 0.35 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1wn5 h SER 8 CO 0.00 0.35 -0.27 0.74 -0.87 0.00 0.00 176.83 176.78 1wn5 h THR 9 N 0.05 1.25 -0.79 2.95 2.02 -0.60 -2.28 112.91 115.51 1wn5 h THR 9 Ca 0.01 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1wn5 h THR 9 Cb 0.55 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1wn5 h THR 9 CO 0.04 0.36 0.38 -0.07 0.37 0.00 0.00 175.52 176.60 1wn5 h LEU 10 N 0.24 1.03 -0.34 2.58 3.38 -0.62 -0.42 115.31 121.16 1wn5 h LEU 10 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wn5 h LEU 10 Cb 0.61 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1wn5 h LEU 10 CO 0.04 0.87 0.20 0.40 0.09 0.00 0.00 178.44 180.04 1wn5 h ILE 11 N 1.11 1.13 -0.33 1.22 2.04 -1.35 -1.42 117.51 119.91 1wn5 h ILE 11 Ca 0.27 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1wn5 h ILE 11 Cb 0.12 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1wn5 h ILE 11 CO -0.03 0.13 0.20 -0.33 0.00 0.00 0.00 178.15 178.11 1wn5 h GLU 12 N 0.43 0.40 -0.42 2.37 5.08 -0.98 -0.84 114.58 120.63 1wn5 h GLU 12 Ca 0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1wn5 h GLU 12 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1wn5 h GLU 12 CO -0.02 0.26 0.17 0.00 -1.00 0.00 0.00 179.01 178.43 1wn5 h ARG 13 N 0.41 0.62 -0.38 2.33 2.47 -0.89 0.21 114.38 119.16 1wn5 h ARG 13 Ca 0.13 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.62 1wn5 h ARG 13 Cb -0.02 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1wn5 h ARG 13 CO -0.05 0.57 -0.23 0.00 0.56 0.00 0.00 179.97 180.82 1wn5 h ALA 14 N 1.02 0.88 -0.59 0.04 0.00 -1.18 -1.01 119.26 118.42 1wn5 h ALA 14 Ca 0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1wn5 h ALA 14 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wn5 h ALA 14 CO -0.01 0.63 0.05 1.15 0.00 0.00 0.00 179.25 181.06 1wn5 h THR 15 N 0.66 1.26 -0.59 0.00 2.02 -0.94 -1.89 112.91 113.43 1wn5 h THR 15 Ca 0.09 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 1wn5 h THR 15 Cb 0.74 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1wn5 h THR 15 CO 0.06 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.48 1wn5 h ALA 16 N 0.99 0.78 0.01 6.16 0.00 -0.72 -2.22 119.26 124.27 1wn5 h ALA 16 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wn5 h ALA 16 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wn5 h ALA 16 CO 0.02 0.49 -0.01 1.15 0.00 0.00 0.00 179.25 180.91 1wn5 h THR 17 N 0.86 1.01 0.00 0.00 2.02 -0.89 -2.04 112.91 113.87 1wn5 h THR 17 Ca 0.19 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 1wn5 h THR 17 Cb 0.35 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1wn5 h THR 17 CO 0.00 0.02 -0.28 -0.29 0.37 0.00 0.00 175.52 175.34 1wn5 h ILE 18 N -0.04 0.85 -0.12 3.11 6.09 -1.32 -1.88 117.51 124.20 1wn5 h ILE 18 Ca -0.00 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.37 1wn5 h ILE 18 Cb 0.04 1.67 0.00 0.00 0.47 0.00 0.00 36.82 39.00 1wn5 h ILE 18 CO 0.00 0.27 0.00 0.59 -3.07 0.00 0.00 178.15 175.95 1wn5 n ASN 19 N -3.69 1.18 -0.53 2.19 4.13 -0.84 -3.68 115.26 114.01 1wn5 n ASN 19 Ca -0.01 -1.63 0.05 0.00 1.68 0.00 0.00 54.58 54.67 1wn5 n ASN 19 Cb 0.39 -0.08 0.11 0.00 -1.54 0.00 0.00 39.78 38.67 1wn5 n ASN 19 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wn5 n SER 20 N 0.00 2.55 -4.27 6.41 7.64 -0.71 -4.99 113.62 120.25 1wn5 n SER 20 Ca 0.15 -1.83 -0.20 0.00 1.01 0.00 0.00 58.87 58.01 1wn5 n SER 20 Cb 0.25 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 1wn5 n SER 20 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1wn5 s ILE 21 N -0.96 1.51 0.54 0.44 -4.36 -1.23 -5.07 121.20 112.07 1wn5 s ILE 21 Ca 0.18 -1.70 -0.22 0.00 -0.26 0.00 0.00 60.65 58.65 1wn5 s ILE 21 Cb 0.10 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 1wn5 s ILE 21 CO 0.14 -0.31 1.34 -2.65 0.24 0.00 0.00 174.94 173.70 1wn5 n PRO 22 N 0.63 1.68 -1.72 0.37 -0.02 -1.26 -4.89 135.00 129.80 1wn5 n PRO 22 Ca -0.16 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1wn5 n PRO 22 Cb 0.56 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1wn5 n PRO 22 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wn5 n ILE 23 N -1.02 0.39 -3.79 4.25 5.41 -1.26 -4.97 119.36 118.37 1wn5 n ILE 23 Ca 0.10 -0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1wn5 n ILE 23 Cb 0.44 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 37.38 1wn5 n ILE 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1wn5 s SER 24 N 0.88 -0.11 0.13 4.38 0.15 -1.26 -5.03 113.70 112.84 1wn5 s SER 24 Ca 0.71 -0.08 0.24 0.00 0.70 0.00 0.00 55.95 57.52 1wn5 s SER 24 Cb -0.53 0.30 0.29 0.00 -1.71 0.00 0.00 66.02 64.38 1wn5 s SER 24 CO 0.39 -0.49 1.28 -0.33 1.20 0.00 0.00 173.24 175.29 1wn5 h GLU 25 N 3.73 0.00 0.04 5.44 5.08 -2.00 -3.34 114.58 123.53 1wn5 h GLU 25 Ca -0.31 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.73 1wn5 h GLU 25 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1wn5 h GLU 25 CO 0.42 0.00 -1.90 -0.25 -1.00 0.00 0.00 179.01 176.28 1wn5 n ASP 26 N -2.18 1.31 -3.82 1.42 10.43 -1.26 -4.65 116.55 117.79 1wn5 n ASP 26 Ca 0.03 0.28 -0.30 0.00 2.57 0.00 0.00 54.79 57.37 1wn5 n ASP 26 Cb 0.45 -0.28 -0.13 0.00 1.84 0.00 0.00 41.12 42.99 1wn5 n ASP 26 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wn5 s TYR 27 N -2.57 2.57 -0.24 1.24 1.51 -1.26 -1.47 117.35 117.14 1wn5 s TYR 27 Ca -0.13 -2.80 0.02 0.00 -1.01 0.00 0.00 57.07 53.15 1wn5 s TYR 27 Cb 0.07 -2.33 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1wn5 s TYR 27 CO 0.79 -0.75 0.43 -1.13 -1.11 0.00 0.00 175.55 173.78 1wn5 n SER 28 N 3.27 0.86 -3.89 2.29 3.41 -1.25 -4.07 113.62 114.24 1wn5 n SER 28 Ca 0.08 -0.93 -0.14 0.00 -0.26 0.00 0.00 58.87 57.62 1wn5 n SER 28 Cb 0.34 0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 1wn5 n SER 28 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wn5 s VAL 29 N -0.51 0.15 0.19 -3.33 1.01 -1.26 -1.14 120.40 115.51 1wn5 s VAL 29 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1wn5 s VAL 29 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 1wn5 s VAL 29 CO 0.05 0.05 -0.10 0.00 0.00 0.00 0.00 175.10 175.11 1wn5 s ALA 30 N 0.08 2.94 0.03 5.51 0.00 -0.42 -1.72 121.76 128.17 1wn5 s ALA 30 Ca -0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1wn5 s ALA 30 Cb -0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1wn5 s ALA 30 CO -0.00 0.44 0.00 0.45 0.00 0.00 0.00 175.76 176.65 1wn5 s SER 31 N -2.93 0.28 -0.05 0.00 0.15 0.80 -0.41 113.70 111.54 1wn5 s SER 31 Ca 0.25 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 1wn5 s SER 31 Cb -0.08 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1wn5 s SER 31 CO 0.15 -0.43 0.13 0.00 1.20 0.00 0.00 173.24 174.29 1wn5 s ALA 32 N -2.37 -0.28 0.09 5.45 0.00 -0.82 -1.17 121.76 122.66 1wn5 s ALA 32 Ca -0.07 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1wn5 s ALA 32 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wn5 s ALA 32 CO -0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 175.76 175.50 1wn5 s ALA 33 N 0.38 1.26 -0.14 0.00 0.00 -0.13 -1.67 121.76 121.46 1wn5 s ALA 33 Ca -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 1wn5 s ALA 33 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1wn5 s ALA 33 CO -0.02 0.10 -0.00 -1.17 0.00 0.00 0.00 175.76 174.67 1wn5 s LEU 34 N -2.12 3.47 0.29 0.00 2.96 -0.09 -1.40 118.68 121.78 1wn5 s LEU 34 Ca 0.03 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1wn5 s LEU 34 Cb -0.07 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1wn5 s LEU 34 CO 0.02 0.23 0.50 -0.55 -1.32 0.00 0.00 176.35 175.23 1wn5 s SER 35 N 0.01 6.36 0.61 3.68 0.15 -0.08 -0.54 113.70 123.88 1wn5 s SER 35 Ca 0.02 0.49 0.39 0.00 0.70 0.00 0.00 55.95 57.55 1wn5 s SER 35 Cb -0.13 -2.05 1.90 0.00 -1.71 0.00 0.00 66.02 64.04 1wn5 s SER 35 CO 0.02 -0.19 2.18 0.77 1.20 0.00 0.00 173.24 177.22 1wn5 h SER 36 N 1.36 0.00 -0.14 5.45 4.64 -1.56 -1.26 113.55 122.04 1wn5 h SER 36 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wn5 h SER 36 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wn5 h SER 36 CO 0.64 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1wn5 n ASP 37 N -3.07 0.95 0.00 4.97 3.85 -1.26 -4.90 116.55 117.09 1wn5 n ASP 37 Ca -0.01 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1wn5 n ASP 37 Cb 0.19 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1wn5 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wn5 n GLY 38 N 0.89 1.76 3.82 6.12 0.00 -0.48 -5.05 105.19 112.25 1wn5 n GLY 38 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1wn5 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wn5 s ARG 39 N -0.60 4.15 -0.09 1.61 0.52 -1.26 -4.79 118.95 118.50 1wn5 s ARG 39 Ca 0.00 1.12 0.02 0.00 -0.52 0.00 0.00 55.73 56.36 1wn5 s ARG 39 Cb 0.00 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 1wn5 s ARG 39 CO 0.00 -0.10 -0.16 0.42 0.02 0.00 0.00 175.30 175.48 1wn5 s ILE 40 N -2.22 2.86 -0.02 1.52 1.01 -1.26 -0.90 121.20 122.19 1wn5 s ILE 40 Ca 0.62 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1wn5 s ILE 40 Cb -0.10 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1wn5 s ILE 40 CO 0.16 0.56 -0.24 -0.36 0.00 0.00 0.00 174.94 175.05 1wn5 s PHE 41 N -0.10 2.19 0.45 3.97 0.40 -0.50 -4.96 117.98 119.44 1wn5 s PHE 41 Ca -0.03 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1wn5 s PHE 41 Cb -0.14 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1wn5 s PHE 41 CO 0.04 -0.05 0.12 0.95 0.70 0.00 0.00 175.22 176.97 1wn5 s THR 42 N -0.53 1.84 -0.18 0.64 -4.23 -1.26 -0.96 115.64 110.96 1wn5 s THR 42 Ca 0.08 -1.83 -0.35 0.00 -1.18 0.00 0.00 61.69 58.41 1wn5 s THR 42 Cb -0.10 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1wn5 s THR 42 CO -0.01 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.48 1wn5 s GLY 43 N -3.89 -0.30 0.05 3.99 0.00 -0.32 -4.46 107.32 102.39 1wn5 s GLY 43 Ca 0.29 1.53 0.05 0.00 0.00 0.00 0.00 44.72 46.60 1wn5 s GLY 43 CO 0.16 0.50 -0.15 0.14 0.00 0.00 0.00 173.10 173.75 1wn5 s VAL 44 N -2.37 1.19 0.95 1.40 1.01 -1.26 -0.14 120.40 121.17 1wn5 s VAL 44 Ca 0.10 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1wn5 s VAL 44 Cb -0.00 -1.08 0.16 0.00 0.00 0.00 0.00 36.38 35.45 1wn5 s VAL 44 CO -0.04 -0.02 1.09 0.54 0.00 0.00 0.00 175.10 176.66 1wn5 s ASN 45 N -1.28 2.96 -0.34 3.32 4.22 -0.70 -4.54 114.94 118.59 1wn5 s ASN 45 Ca 0.02 1.52 -0.01 0.00 -2.14 0.00 0.00 52.86 52.25 1wn5 s ASN 45 Cb -0.08 -2.18 0.11 0.00 1.28 0.00 0.00 41.25 40.37 1wn5 s ASN 45 CO 0.02 -2.96 0.14 -0.69 -2.04 0.00 0.00 177.10 171.57 1wn5 s VAL 46 N -2.85 0.76 0.15 3.54 1.01 -0.05 -4.45 120.40 118.51 1wn5 s VAL 46 Ca 0.65 -1.57 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 1wn5 s VAL 46 Cb -0.19 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 1wn5 s VAL 46 CO 0.58 -0.76 1.33 -0.47 0.00 0.00 0.00 175.10 175.77 1wn5 s TYR 47 N 1.37 3.28 -0.28 5.22 6.14 -0.54 -3.18 117.35 129.36 1wn5 s TYR 47 Ca 0.12 1.12 -0.23 0.00 0.64 0.00 0.00 57.07 58.72 1wn5 s TYR 47 Cb -0.19 -3.61 0.09 0.00 0.42 0.00 0.00 41.96 38.67 1wn5 s TYR 47 CO -0.19 -2.00 0.84 -1.58 0.64 0.00 0.00 175.55 173.26 1wn5 s HIS 48 N 0.64 -0.70 0.62 4.97 2.46 -1.26 -4.81 115.29 117.19 1wn5 s HIS 48 Ca 0.60 1.64 0.33 0.00 0.47 0.00 0.00 55.06 58.10 1wn5 s HIS 48 Cb -0.36 0.36 1.89 0.00 -0.13 0.00 0.00 32.58 34.34 1wn5 s HIS 48 CO 0.34 -0.34 2.19 0.27 -2.47 0.00 0.00 174.74 174.73 1wn5 h PHE 49 N 5.10 0.00 -0.03 3.88 -0.00 -1.96 0.12 116.94 124.05 1wn5 h PHE 49 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1wn5 h PHE 49 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1wn5 h PHE 49 CO 0.30 0.00 0.00 0.25 -0.00 0.00 0.00 178.31 178.86 1wn5 n THR 50 N -3.57 0.03 0.00 0.88 -2.24 -1.26 -4.84 114.28 103.28 1wn5 n THR 50 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1wn5 n THR 50 Cb 0.20 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1wn5 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wn5 n GLY 51 N 0.89 0.79 3.65 3.38 0.00 0.32 -5.06 105.19 109.17 1wn5 n GLY 51 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1wn5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn5 n GLY 52 N 0.00 0.18 3.77 -0.02 0.00 -0.58 -4.87 105.19 103.66 1wn5 n GLY 52 Ca 0.00 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1wn5 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wn5 s PRO 53 N -2.01 3.72 0.86 1.61 0.04 -1.19 -4.59 135.00 133.44 1wn5 s PRO 53 Ca 0.61 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.96 1wn5 s PRO 53 Cb -0.56 -2.68 0.11 0.00 0.04 0.00 0.00 34.50 31.41 1wn5 s PRO 53 CO 0.58 -0.79 1.12 0.00 0.04 0.00 0.00 177.00 177.95 1wn5 h ALA 55 N -1.31 1.56 -0.96 0.00 0.00 -1.81 -1.89 119.26 114.84 1wn5 h ALA 55 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1wn5 h ALA 55 Cb 1.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1wn5 h ALA 55 CO 0.61 0.24 0.63 0.93 0.00 0.00 0.00 179.25 181.66 1wn5 h GLU 56 N 0.98 1.19 -0.05 0.00 3.07 -1.91 -1.43 114.58 116.43 1wn5 h GLU 56 Ca 0.45 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.11 1wn5 h GLU 56 Cb 0.40 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1wn5 h GLU 56 CO -0.21 0.79 -0.56 -0.07 -1.40 0.00 0.00 179.01 177.56 1wn5 h LEU 57 N 1.23 0.16 -0.71 1.33 3.38 -1.70 -1.25 115.31 117.75 1wn5 h LEU 57 Ca 0.38 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1wn5 h LEU 57 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wn5 h LEU 57 CO -0.11 0.68 -0.27 0.58 0.09 0.00 0.00 178.44 179.41 1wn5 h VAL 58 N 0.11 1.28 -0.50 1.22 2.07 -1.15 -2.09 116.25 117.18 1wn5 h VAL 58 Ca -0.00 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1wn5 h VAL 58 Cb 1.01 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1wn5 h VAL 58 CO 0.08 0.45 0.21 0.58 0.02 0.00 0.00 177.57 178.92 1wn5 h VAL 59 N 0.61 1.21 -0.76 2.57 2.07 -0.88 -0.34 116.25 120.72 1wn5 h VAL 59 Ca 0.08 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1wn5 h VAL 59 Cb 0.77 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1wn5 h VAL 59 CO 0.06 0.24 0.46 -0.07 0.02 0.00 0.00 177.57 178.29 1wn5 h LEU 60 N 0.67 0.91 -0.55 2.57 3.38 -0.92 0.38 115.31 121.75 1wn5 h LEU 60 Ca 0.17 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1wn5 h LEU 60 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1wn5 h LEU 60 CO -0.02 0.69 -0.71 1.23 0.09 0.00 0.00 178.44 179.73 1wn5 h GLY 61 N 1.07 0.00 1.09 0.83 0.00 -1.02 -1.52 103.07 103.52 1wn5 h GLY 61 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.41 1wn5 h GLY 61 CO -0.05 0.00 -0.66 -0.84 0.00 0.00 0.00 176.54 174.98 1wn5 h THR 62 N 0.00 1.30 -0.42 4.70 2.02 -0.46 -1.95 112.91 118.09 1wn5 h THR 62 Ca -0.01 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 1wn5 h THR 62 Cb 1.28 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 1wn5 h THR 62 CO 0.09 0.59 0.03 0.00 0.37 0.00 0.00 175.52 176.60 1wn5 h ALA 63 N 0.56 0.57 -0.96 6.16 0.00 -0.91 -2.89 119.26 121.79 1wn5 h ALA 63 Ca -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wn5 h ALA 63 Cb 1.29 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1wn5 h ALA 63 CO 0.14 0.32 0.60 0.00 0.00 0.00 0.00 179.25 180.31 1wn5 h ALA 64 N 0.91 1.22 0.00 0.00 0.00 -1.25 -1.34 119.26 118.79 1wn5 h ALA 64 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wn5 h ALA 64 Cb 0.44 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wn5 h ALA 64 CO 0.02 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1wn5 h ALA 65 N 1.33 1.08 -0.59 0.00 0.00 -1.15 -1.35 119.26 118.57 1wn5 h ALA 65 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wn5 h ALA 65 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wn5 h ALA 65 CO -0.07 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1wn5 n ALA 66 N -2.13 2.42 -3.78 0.00 0.00 -0.61 -4.96 120.51 111.46 1wn5 n ALA 66 Ca -0.02 -1.32 -0.25 0.00 0.00 0.00 0.00 53.44 51.85 1wn5 n ALA 66 Cb 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1wn5 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn5 n ALA 67 N 1.18 -1.70 0.15 0.00 0.00 -0.51 -4.89 120.51 114.73 1wn5 n ALA 67 Ca 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1wn5 n ALA 67 Cb 0.60 -3.08 0.29 0.00 0.00 0.00 0.00 19.45 17.27 1wn5 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn5 h ALA 68 N 0.91 1.25 0.00 0.00 0.00 -1.51 -3.49 119.26 116.42 1wn5 h ALA 68 Ca -0.60 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1wn5 h ALA 68 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wn5 h ALA 68 CO 0.60 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.81 1wn5 n GLY 69 N -0.29 0.22 3.70 0.00 0.00 -1.26 -4.58 105.19 102.97 1wn5 n GLY 69 Ca -0.02 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1wn5 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wn5 s ASN 70 N -4.00 7.14 0.10 1.61 2.20 -1.26 -4.95 114.94 115.78 1wn5 s ASN 70 Ca 0.00 1.80 -0.17 0.00 -0.94 0.00 0.00 52.86 53.55 1wn5 s ASN 70 Cb 0.00 -2.56 -0.07 0.00 -2.00 0.00 0.00 41.25 36.62 1wn5 s ASN 70 CO 0.00 -0.48 0.55 -0.76 -2.94 0.00 0.00 177.10 173.47 1wn5 s LEU 71 N 1.70 4.44 -0.05 3.54 1.43 -1.26 -1.66 118.68 126.82 1wn5 s LEU 71 Ca 0.55 1.17 0.14 0.00 -1.03 0.00 0.00 54.13 54.96 1wn5 s LEU 71 Cb -0.24 -3.04 -0.22 0.00 0.03 0.00 0.00 46.19 42.72 1wn5 s LEU 71 CO 0.24 0.20 0.25 0.35 0.23 0.00 0.00 176.35 177.63 1wn5 n THR 72 N 1.33 0.27 -3.62 5.49 -2.24 0.30 -4.09 114.28 111.73 1wn5 n THR 72 Ca -0.08 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 1wn5 n THR 72 Cb 0.51 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1wn5 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wn5 s ILE 74 N -1.61 0.09 0.03 0.00 2.07 -0.33 -0.92 121.20 120.53 1wn5 s ILE 74 Ca -0.10 -0.74 -0.15 0.00 -1.41 0.00 0.00 60.65 58.26 1wn5 s ILE 74 Cb -0.02 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.63 1wn5 s ILE 74 CO 0.05 -0.41 0.32 0.54 -1.91 0.00 0.00 174.94 173.53 1wn5 s VAL 75 N -2.66 0.07 -0.06 4.00 0.11 -0.67 -1.02 120.40 120.17 1wn5 s VAL 75 Ca -0.04 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1wn5 s VAL 75 Cb -0.00 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1wn5 s VAL 75 CO -0.04 -0.33 -0.19 0.00 -3.33 0.00 0.00 175.10 171.22 1wn5 s ALA 76 N -2.16 1.70 -0.11 1.54 0.00 -1.26 -1.94 121.76 119.52 1wn5 s ALA 76 Ca -0.08 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1wn5 s ALA 76 Cb -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1wn5 s ALA 76 CO -0.01 0.28 -0.19 0.42 0.00 0.00 0.00 175.76 176.27 1wn5 s ILE 77 N 0.13 1.75 0.43 0.00 -1.09 0.45 -1.18 121.20 121.68 1wn5 s ILE 77 Ca -0.07 -0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 57.47 1wn5 s ILE 77 Cb -0.13 -1.56 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 1wn5 s ILE 77 CO 0.04 0.49 0.75 -0.83 -1.23 0.00 0.00 174.94 174.16 1wn5 s GLY 78 N 0.78 1.71 0.49 6.18 0.00 -0.06 -1.30 107.32 115.11 1wn5 s GLY 78 Ca -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 44.72 44.15 1wn5 s GLY 78 CO 0.01 -0.22 0.58 1.16 0.00 0.00 0.00 173.10 174.62 1wn5 n ASN 79 N -1.73 -0.47 -1.82 1.64 6.94 -0.30 -3.45 115.26 116.07 1wn5 n ASN 79 Ca 0.01 -1.08 -0.20 0.00 -0.02 0.00 0.00 54.58 53.29 1wn5 n ASN 79 Cb 0.55 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 1wn5 n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wn5 n GLU 80 N -2.54 -1.46 -3.11 -3.83 -0.58 -1.26 -2.03 120.64 105.83 1wn5 n GLU 80 Ca 0.07 1.09 -0.22 0.00 -0.42 0.00 0.00 57.16 57.68 1wn5 n GLU 80 Cb 0.27 -5.54 0.02 0.00 -0.57 0.00 0.00 31.44 25.62 1wn5 n GLU 80 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wn5 n ASN 81 N -1.43 -5.31 0.22 1.62 5.15 -1.26 -4.87 115.26 109.38 1wn5 n ASN 81 Ca -0.21 -0.30 0.11 0.00 -0.60 0.00 0.00 54.58 53.57 1wn5 n ASN 81 Cb 0.66 -4.32 0.36 0.00 -0.53 0.00 0.00 39.78 35.95 1wn5 n ASN 81 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1wn5 h ARG 82 N -1.21 0.00 0.00 1.20 3.08 -1.43 -3.50 114.38 112.52 1wn5 h ARG 82 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wn5 h ARG 82 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1wn5 h ARG 82 CO 0.55 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 1wn5 n GLY 83 N 0.57 -0.52 3.72 0.04 0.00 -1.25 -4.85 105.19 102.90 1wn5 n GLY 83 Ca 0.02 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1wn5 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wn5 s ILE 84 N 0.00 3.00 -0.11 -0.61 1.01 -1.26 -0.88 121.20 122.35 1wn5 s ILE 84 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.44 1wn5 s ILE 84 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1wn5 s ILE 84 CO 0.00 0.08 -0.24 -0.76 0.00 0.00 0.00 174.94 174.02 1wn5 s LEU 85 N 0.67 2.09 0.35 2.97 1.43 -0.33 -4.87 118.68 121.00 1wn5 s LEU 85 Ca 0.64 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.90 1wn5 s LEU 85 Cb -0.39 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1wn5 s LEU 85 CO 0.34 0.15 1.25 -0.44 0.23 0.00 0.00 176.35 177.88 1wn5 s SER 86 N 0.42 6.69 0.45 2.29 0.01 -1.26 -4.18 113.70 118.11 1wn5 s SER 86 Ca -0.17 2.56 -0.25 0.00 1.31 0.00 0.00 55.95 59.40 1wn5 s SER 86 Cb -0.18 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.33 1wn5 s SER 86 CO 0.07 -0.58 1.38 -0.81 0.41 0.00 0.00 173.24 173.72 1wn5 n PRO 87 N 0.56 2.13 -1.21 12.44 -0.04 -1.26 -4.97 135.00 142.65 1wn5 n PRO 87 Ca 0.01 0.76 -0.29 0.00 -0.04 0.00 0.00 63.50 63.95 1wn5 n PRO 87 Cb 0.43 -2.56 0.19 0.00 -0.04 0.00 0.00 33.50 31.53 1wn5 n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wn5 h GLY 89 N -2.02 1.47 0.87 0.00 0.00 -1.98 -1.65 103.07 99.74 1wn5 h GLY 89 Ca -0.52 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1wn5 h GLY 89 CO 0.52 0.38 0.05 -0.09 0.00 0.00 0.00 176.54 177.40 1wn5 h ARG 90 N 1.20 0.40 -0.92 4.80 2.43 -2.00 -2.35 114.38 117.93 1wn5 h ARG 90 Ca 0.41 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1wn5 h ARG 90 Cb 0.07 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1wn5 h ARG 90 CO -0.15 0.51 0.61 0.00 -1.51 0.00 0.00 179.97 179.44 1wn5 h ARG 92 N 1.25 0.83 -0.18 0.00 3.08 -1.10 0.20 114.38 118.47 1wn5 h ARG 92 Ca 0.34 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1wn5 h ARG 92 Cb -0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 1wn5 h ARG 92 CO -0.08 0.55 -0.00 0.37 -1.07 0.00 0.00 179.97 179.74 1wn5 h GLN 93 N 0.86 0.32 -0.68 0.04 5.75 -0.85 0.01 115.11 120.55 1wn5 h GLN 93 Ca 0.34 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1wn5 h GLN 93 Cb 0.18 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1wn5 h GLN 93 CO -0.18 0.53 0.33 0.28 -2.65 0.00 0.00 178.83 177.15 1wn5 h VAL 94 N 0.07 1.23 -0.50 2.39 2.07 -0.92 -0.26 116.25 120.32 1wn5 h VAL 94 Ca 0.05 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1wn5 h VAL 94 Cb 0.39 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1wn5 h VAL 94 CO 0.01 0.26 0.16 -0.07 0.02 0.00 0.00 177.57 177.96 1wn5 h LEU 95 N 0.95 0.73 -0.65 2.57 3.38 -0.52 0.30 115.31 122.08 1wn5 h LEU 95 Ca 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wn5 h LEU 95 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1wn5 h LEU 95 CO -0.03 0.74 0.28 0.25 0.09 0.00 0.00 178.44 179.77 1wn5 h LEU 96 N 0.68 0.88 -0.38 1.67 5.85 -0.69 0.30 115.31 123.61 1wn5 h LEU 96 Ca 0.16 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1wn5 h LEU 96 Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1wn5 h LEU 96 CO -0.01 0.79 -0.78 0.44 -0.34 0.00 0.00 178.44 178.54 1wn5 h ASP 97 N 0.91 0.37 0.02 1.25 3.32 -0.83 -3.06 116.42 118.40 1wn5 h ASP 97 Ca 0.22 -0.26 -0.31 0.00 0.02 0.00 0.00 57.03 56.69 1wn5 h ASP 97 Cb 0.17 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1wn5 h ASP 97 CO -0.02 1.01 -2.30 0.18 -1.72 0.00 0.00 179.24 176.39 1wn5 n LEU 98 N -3.77 0.03 -3.20 1.55 4.77 0.08 -4.69 117.00 111.77 1wn5 n LEU 98 Ca -0.04 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1wn5 n LEU 98 Cb 0.74 0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 42.18 1wn5 n LEU 98 CO 0.48 0.42 -0.25 1.41 -1.33 0.00 0.00 177.39 178.12 1wn5 n HIS 99 N -2.69 0.11 0.33 -1.77 8.25 0.10 -4.99 115.22 114.57 1wn5 n HIS 99 Ca -0.28 -3.68 0.17 0.00 -0.26 0.00 0.00 57.72 53.67 1wn5 n HIS 99 Cb 1.07 -0.38 0.89 0.00 1.12 0.00 0.00 29.99 32.68 1wn5 n HIS 99 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wn5 h PRO 100 N 3.71 0.00 -0.20 -0.41 0.13 -1.47 -0.58 132.00 133.18 1wn5 h PRO 100 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1wn5 h PRO 100 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wn5 h PRO 100 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1wn5 n GLY 101 N -1.20 1.14 3.79 1.56 0.00 -1.26 -4.73 105.19 104.49 1wn5 n GLY 101 Ca -0.02 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1wn5 n GLY 101 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wn5 s ILE 102 N -1.76 3.60 0.15 -0.61 2.07 -0.22 -4.88 121.20 119.56 1wn5 s ILE 102 Ca 0.34 0.71 0.10 0.00 -1.41 0.00 0.00 60.65 60.40 1wn5 s ILE 102 Cb 0.21 -3.25 -0.04 0.00 0.13 0.00 0.00 42.46 39.50 1wn5 s ILE 102 CO 0.31 -0.49 -0.21 -0.54 -1.91 0.00 0.00 174.94 172.09 1wn5 s LYS 103 N -4.23 1.62 -0.03 3.50 1.02 -0.47 -1.76 119.74 119.39 1wn5 s LYS 103 Ca 0.64 -1.35 0.07 0.00 0.02 0.00 0.00 55.97 55.34 1wn5 s LYS 103 Cb -0.17 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1wn5 s LYS 103 CO 0.42 0.44 -0.24 0.00 -0.92 0.00 0.00 175.35 175.04 1wn5 s ALA 104 N -1.37 2.03 -0.14 5.17 0.00 0.31 -1.18 121.76 126.57 1wn5 s ALA 104 Ca 0.19 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1wn5 s ALA 104 Cb -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1wn5 s ALA 104 CO 0.10 0.46 0.78 0.42 0.00 0.00 0.00 175.76 177.51 1wn5 s ILE 105 N -0.40 4.94 0.29 0.00 1.01 -0.19 -0.86 121.20 125.99 1wn5 s ILE 105 Ca 0.04 1.54 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1wn5 s ILE 105 Cb -0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1wn5 s ILE 105 CO 0.01 0.10 0.14 0.68 0.00 0.00 0.00 174.94 175.87 1wn5 s VAL 106 N 1.75 0.35 -0.07 2.92 -7.23 -0.06 -4.67 120.40 113.39 1wn5 s VAL 106 Ca 0.37 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 1wn5 s VAL 106 Cb -0.17 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 1wn5 s VAL 106 CO 0.14 0.00 0.38 -0.54 -0.31 0.00 0.00 175.10 174.77 1wn5 s LYS 107 N -3.89 4.07 0.79 4.82 1.02 -1.26 -0.33 119.74 124.95 1wn5 s LYS 107 Ca 0.36 0.32 -0.08 0.00 0.02 0.00 0.00 55.97 56.59 1wn5 s LYS 107 Cb 0.06 -3.32 0.17 0.00 -0.52 0.00 0.00 37.83 34.22 1wn5 s LYS 107 CO 0.16 0.47 1.08 -0.40 -0.92 0.00 0.00 175.35 175.74 1wn5 n ASP 108 N 2.66 0.67 -0.17 2.83 3.85 -0.67 -4.83 116.55 120.89 1wn5 n ASP 108 Ca -0.12 -1.75 0.26 0.00 -0.71 0.00 0.00 54.79 52.47 1wn5 n ASP 108 Cb 0.52 -0.77 0.68 0.00 -1.35 0.00 0.00 41.12 40.20 1wn5 n ASP 108 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1wn5 h SER 109 N -1.09 0.07 -0.39 -1.12 4.64 -1.98 0.41 113.55 114.09 1wn5 h SER 109 Ca -0.35 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1wn5 h SER 109 Cb 1.12 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wn5 h SER 109 CO 0.31 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.76 1wn5 n ASP 110 N -4.32 3.01 -0.29 4.97 8.00 -1.26 -4.90 116.55 121.75 1wn5 n ASP 110 Ca 0.18 -2.25 -0.04 0.00 0.71 0.00 0.00 54.79 53.39 1wn5 n ASP 110 Cb 0.89 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1wn5 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wn5 n GLY 111 N 0.82 0.53 3.88 0.44 0.00 0.14 -5.00 105.19 106.00 1wn5 n GLY 111 Ca 0.15 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1wn5 n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wn5 s GLN 112 N -1.78 3.50 0.22 1.61 -1.52 -1.26 -4.71 119.66 115.71 1wn5 s GLN 112 Ca 0.00 -0.08 -0.32 0.00 -1.95 0.00 0.00 55.36 53.01 1wn5 s GLN 112 Cb 0.00 -3.18 -0.14 0.00 -0.22 0.00 0.00 33.01 29.48 1wn5 s GLN 112 CO 0.00 0.75 1.42 -2.30 -0.25 0.00 0.00 175.29 174.91 1wn5 n PRO 113 N 1.80 1.96 -3.75 2.91 -0.02 -1.26 -1.66 135.00 134.98 1wn5 n PRO 113 Ca -0.18 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1wn5 n PRO 113 Cb 0.54 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1wn5 n PRO 113 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wn5 s THR 114 N 0.12 -0.01 -0.23 3.45 -1.32 0.55 -4.11 115.64 114.08 1wn5 s THR 114 Ca 0.71 0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 61.02 1wn5 s THR 114 Cb -0.68 -0.44 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 1wn5 s THR 114 CO 0.48 0.02 0.69 0.00 -2.21 0.00 0.00 174.62 173.60 1wn5 s ALA 115 N 0.57 3.60 -0.04 11.08 0.00 -1.26 -0.88 121.76 134.82 1wn5 s ALA 115 Ca -0.03 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1wn5 s ALA 115 Cb -0.05 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1wn5 s ALA 115 CO -0.03 -0.78 -0.21 0.08 0.00 0.00 0.00 175.76 174.82 1wn5 s VAL 116 N 2.45 2.43 0.38 0.00 1.01 -0.04 -4.89 120.40 121.73 1wn5 s VAL 116 Ca 0.30 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1wn5 s VAL 116 Cb -0.16 -1.90 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1wn5 s VAL 116 CO 0.09 0.58 1.50 -0.83 0.00 0.00 0.00 175.10 176.43 1wn5 s GLY 117 N -0.49 2.93 0.41 4.51 0.00 -1.26 -0.53 107.32 112.89 1wn5 s GLY 117 Ca 0.06 1.59 0.10 0.00 0.00 0.00 0.00 44.72 46.47 1wn5 s GLY 117 CO 0.01 2.29 2.00 1.19 0.00 0.00 0.00 173.10 178.59 1wn5 h ILE 118 N 2.97 1.00 0.00 0.90 6.09 -1.64 -0.93 117.51 125.90 1wn5 h ILE 118 Ca -0.51 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 62.77 1wn5 h ILE 118 Cb 1.24 0.41 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 1wn5 h ILE 118 CO 0.64 0.10 -0.12 0.03 -3.07 0.00 0.00 178.15 175.73 1wn5 h ARG 119 N 0.54 0.00 0.00 2.19 3.08 -1.85 -1.06 114.38 117.28 1wn5 h ARG 119 Ca 0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 1wn5 h ARG 119 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1wn5 h ARG 119 CO -0.07 0.12 -0.27 0.93 -1.07 0.00 0.00 179.97 179.61 1wn5 h GLU 120 N 0.00 0.00 -0.00 0.04 4.39 -1.53 -2.91 114.58 114.57 1wn5 h GLU 120 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wn5 h GLU 120 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1wn5 h GLU 120 CO 0.02 0.27 -0.21 1.28 -1.16 0.00 0.00 179.01 179.21 1wn5 n LEU 121 N -3.31 0.28 -3.30 1.33 4.77 -0.42 -4.24 117.00 112.11 1wn5 n LEU 121 Ca 0.01 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.95 1wn5 n LEU 121 Cb 0.52 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1wn5 n LEU 121 CO 0.35 0.06 -0.22 0.18 -1.33 0.00 0.00 177.39 176.44 1wn5 n LEU 122 N -1.40 0.91 -4.68 2.23 4.77 -1.10 -5.07 117.00 112.66 1wn5 n LEU 122 Ca 0.08 -4.82 -0.42 0.00 -0.03 0.00 0.00 56.01 50.82 1wn5 n LEU 122 Cb 0.33 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1wn5 n LEU 122 CO 0.29 2.02 0.84 -2.65 -1.33 0.00 0.00 177.39 176.56 1wn5 n PRO 123 N 1.53 1.92 -4.18 3.23 -0.02 -1.24 -1.84 135.00 134.41 1wn5 n PRO 123 Ca 0.24 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 1wn5 n PRO 123 Cb 0.49 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1wn5 n PRO 123 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wn5 n SER 124 N 0.58 0.18 -4.75 2.55 3.41 -1.26 -4.83 113.62 109.51 1wn5 n SER 124 Ca 0.06 -1.19 -0.36 0.00 -0.26 0.00 0.00 58.87 57.12 1wn5 n SER 124 Cb 0.37 -2.07 0.05 0.00 -0.26 0.00 0.00 64.21 62.30 1wn5 n SER 124 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wn5 s GLY 125 N -4.32 2.67 0.00 5.00 0.00 -0.77 -5.27 107.32 104.63 1wn5 s GLY 125 Ca 0.04 1.00 0.21 0.00 0.00 0.00 0.00 44.72 45.96 1wn5 s GLY 125 CO 0.96 1.40 1.63 2.98 0.00 0.00 0.00 173.10 180.07