#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 4.11 1.07 2.45 -0.00 -1.26 -4.93 118.68 120.13 1wn5 s LEU 3 Ca 0.00 0.05 -0.12 0.00 -0.00 0.00 0.00 54.13 54.05 1wn5 s LEU 3 Cb 0.00 -2.90 0.23 0.00 -0.00 0.00 0.00 46.19 43.52 1wn5 s LEU 3 CO 0.00 -0.27 1.06 -0.94 -0.00 0.00 0.00 176.35 176.20 1wn5 s SER 4 N -4.07 1.85 0.30 1.48 1.04 -1.26 -4.73 113.70 108.30 1wn5 s SER 4 Ca 0.39 1.38 0.03 0.00 0.48 0.00 0.00 55.95 58.24 1wn5 s SER 4 Cb -0.09 -2.10 0.48 0.00 0.10 0.00 0.00 66.02 64.41 1wn5 s SER 4 CO 0.31 -3.64 1.77 1.56 0.98 0.00 0.00 173.24 174.22 1wn5 h GLN 5 N -2.24 0.48 -0.50 4.02 1.08 -1.99 0.38 115.11 116.35 1wn5 h GLN 5 Ca -0.58 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 56.40 1wn5 h GLN 5 Cb 1.33 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.70 1wn5 h GLN 5 CO 0.54 0.64 0.03 0.93 -0.95 0.00 0.00 178.83 180.01 1wn5 h GLU 6 N 0.44 0.86 -0.26 1.46 5.08 -1.99 0.11 114.58 120.28 1wn5 h GLU 6 Ca 0.08 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1wn5 h GLU 6 Cb 0.56 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wn5 h GLU 6 CO 0.04 0.89 -0.36 0.93 -1.00 0.00 0.00 179.01 179.51 1wn5 h GLU 7 N 0.73 0.57 0.00 2.33 5.08 -1.85 -2.45 114.58 118.99 1wn5 h GLU 7 Ca 0.14 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1wn5 h GLU 7 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wn5 h GLU 7 CO 0.02 0.84 -0.36 1.03 -1.00 0.00 0.00 179.01 179.55 1wn5 h SER 8 N 0.48 0.00 0.09 1.42 0.87 -0.58 -2.38 113.55 113.45 1wn5 h SER 8 Ca 0.05 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1wn5 h SER 8 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1wn5 h SER 8 CO 0.07 0.36 -0.25 0.74 -0.53 0.00 0.00 176.83 177.22 1wn5 h THR 9 N 0.00 1.24 -0.79 2.23 2.02 -0.49 -2.67 112.91 114.44 1wn5 h THR 9 Ca -0.00 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1wn5 h THR 9 Cb 0.66 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1wn5 h THR 9 CO 0.05 0.35 0.46 -0.07 0.37 0.00 0.00 175.52 176.68 1wn5 h LEU 10 N 0.25 0.97 -0.50 2.58 3.38 -1.28 -0.26 115.31 120.45 1wn5 h LEU 10 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1wn5 h LEU 10 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1wn5 h LEU 10 CO 0.04 0.76 0.27 0.40 0.09 0.00 0.00 178.44 180.00 1wn5 h ILE 11 N 1.09 1.18 -0.60 1.22 2.04 -1.50 -0.46 117.51 120.48 1wn5 h ILE 11 Ca 0.28 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1wn5 h ILE 11 Cb -0.01 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1wn5 h ILE 11 CO -0.05 0.19 0.18 -0.33 0.00 0.00 0.00 178.15 178.14 1wn5 h GLU 12 N 0.66 0.93 -0.28 2.37 5.08 -1.28 -0.82 114.58 121.24 1wn5 h GLU 12 Ca 0.18 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1wn5 h GLU 12 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1wn5 h GLU 12 CO -0.03 0.83 -0.01 0.00 -1.00 0.00 0.00 179.01 178.80 1wn5 h ARG 13 N 0.85 0.50 -0.58 2.33 2.47 -0.79 -0.90 114.38 118.26 1wn5 h ARG 13 Ca 0.19 -0.17 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 1wn5 h ARG 13 Cb 0.30 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1wn5 h ARG 13 CO -0.00 0.67 0.10 0.00 0.56 0.00 0.00 179.97 181.29 1wn5 h ALA 14 N 0.81 0.77 -0.57 0.04 0.00 -1.03 -1.08 119.26 118.20 1wn5 h ALA 14 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wn5 h ALA 14 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1wn5 h ALA 14 CO 0.02 0.51 0.28 1.15 0.00 0.00 0.00 179.25 181.21 1wn5 h THR 15 N 0.85 1.20 -0.75 0.00 2.02 -1.07 -1.92 112.91 113.24 1wn5 h THR 15 Ca 0.18 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1wn5 h THR 15 Cb 0.42 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1wn5 h THR 15 CO 0.01 0.23 0.35 0.00 0.37 0.00 0.00 175.52 176.48 1wn5 h ALA 16 N 1.12 0.96 0.43 6.16 0.00 -0.92 -1.75 119.26 125.26 1wn5 h ALA 16 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wn5 h ALA 16 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wn5 h ALA 16 CO -0.03 0.54 -0.21 1.15 0.00 0.00 0.00 179.25 180.70 1wn5 h THR 17 N 1.05 0.57 -0.57 0.00 2.02 -0.83 -2.06 112.91 113.09 1wn5 h THR 17 Ca 0.26 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1wn5 h THR 17 Cb 0.14 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1wn5 h THR 17 CO -0.03 0.04 0.13 -0.29 0.37 0.00 0.00 175.52 175.73 1wn5 h ILE 18 N -0.70 1.24 0.00 3.11 6.09 -1.34 -2.55 117.51 123.35 1wn5 h ILE 18 Ca -0.06 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.56 1wn5 h ILE 18 Cb 0.51 0.66 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1wn5 h ILE 18 CO 0.10 0.32 0.00 0.59 -3.07 0.00 0.00 178.15 176.09 1wn5 n ASN 19 N -4.26 0.00 -0.47 2.19 3.02 -0.66 -3.18 115.26 111.90 1wn5 n ASN 19 Ca 0.04 -0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.71 1wn5 n ASN 19 Cb 0.24 -0.32 0.30 0.00 -0.61 0.00 0.00 39.78 39.39 1wn5 n ASN 19 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wn5 n SER 20 N -1.32 1.65 -4.49 6.41 7.64 -0.78 -4.92 113.62 117.81 1wn5 n SER 20 Ca 0.12 -1.35 -0.26 0.00 1.01 0.00 0.00 58.87 58.39 1wn5 n SER 20 Cb 0.23 0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.28 2.69 0.49 0.44 -4.36 -1.19 -5.09 121.20 111.90 1wn5 s ILE 21 Ca 0.28 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.39 1wn5 s ILE 21 Cb 0.20 -2.35 -0.07 0.00 1.25 0.00 0.00 42.46 41.48 1wn5 s ILE 21 CO 0.45 -0.22 1.25 -2.65 0.24 0.00 0.00 174.94 174.00 1wn5 n PRO 22 N -0.16 1.67 -1.71 0.37 -0.02 -1.26 -4.89 135.00 129.01 1wn5 n PRO 22 Ca -0.09 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 1wn5 n PRO 22 Cb 0.57 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1wn5 n PRO 22 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1wn5 n ILE 23 N -0.74 0.02 -3.79 4.25 0.13 -1.26 -4.98 119.36 112.99 1wn5 n ILE 23 Ca 0.09 -0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.61 1wn5 n ILE 23 Cb 0.43 -1.92 -0.09 0.00 -0.84 0.00 0.00 39.64 37.22 1wn5 n ILE 23 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1wn5 s SER 24 N 1.21 -0.13 0.06 9.51 0.15 -1.26 -5.02 113.70 118.22 1wn5 s SER 24 Ca 0.76 -0.00 0.24 0.00 0.70 0.00 0.00 55.95 57.65 1wn5 s SER 24 Cb -0.53 0.29 0.38 0.00 -1.71 0.00 0.00 66.02 64.44 1wn5 s SER 24 CO 0.33 -0.44 1.33 -0.62 1.20 0.00 0.00 173.24 175.04 1wn5 n GLU 25 N 1.28 0.17 -0.03 5.44 1.02 -1.26 -3.78 120.64 123.47 1wn5 n GLU 25 Ca -0.22 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.83 1wn5 n GLU 25 Cb 0.56 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 1wn5 n GLU 25 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wn5 n ASP 26 N -1.83 1.13 -3.78 1.62 10.43 -1.26 -4.65 116.55 118.21 1wn5 n ASP 26 Ca 0.04 0.26 -0.29 0.00 2.57 0.00 0.00 54.79 57.37 1wn5 n ASP 26 Cb 0.39 -0.13 -0.13 0.00 1.84 0.00 0.00 41.12 43.09 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 2.41 -0.26 1.24 1.51 -1.25 -1.16 117.35 117.27 1wn5 s TYR 27 Ca -0.12 -2.70 0.03 0.00 -1.01 0.00 0.00 57.07 53.26 1wn5 s TYR 27 Cb 0.07 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1wn5 s TYR 27 CO 0.80 -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 -3.98 2.29 3.41 -1.25 -4.08 113.62 114.16 1wn5 n SER 28 Ca 0.09 -0.93 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 1wn5 n SER 28 Cb 0.34 0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.54 0.35 0.17 -3.33 1.01 -1.26 -0.90 120.40 115.91 1wn5 s VAL 29 Ca 0.02 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1wn5 s VAL 29 Cb 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1wn5 s VAL 29 CO 0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 175.10 174.78 1wn5 s ALA 30 N -0.65 2.46 0.08 5.51 0.00 -0.33 -1.58 121.76 127.25 1wn5 s ALA 30 Ca -0.04 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.35 1wn5 s ALA 30 Cb -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1wn5 s ALA 30 CO -0.00 0.45 -0.07 0.45 0.00 0.00 0.00 175.76 176.59 1wn5 s SER 31 N -2.50 1.01 -0.07 0.00 0.15 -0.03 0.15 113.70 112.41 1wn5 s SER 31 Ca 0.19 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.95 1wn5 s SER 31 Cb -0.08 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1wn5 s SER 31 CO 0.09 -0.38 0.17 0.00 1.20 0.00 0.00 173.24 174.32 1wn5 s ALA 32 N -2.83 -0.39 0.09 5.45 0.00 -0.72 -2.30 121.76 121.07 1wn5 s ALA 32 Ca 0.04 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1wn5 s ALA 32 Cb -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1wn5 s ALA 32 CO -0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 1wn5 s ALA 33 N 0.64 1.34 -0.16 0.00 0.00 -0.18 -1.66 121.76 121.75 1wn5 s ALA 33 Ca -0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1wn5 s ALA 33 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1wn5 s ALA 33 CO -0.03 0.17 -0.00 -1.17 0.00 0.00 0.00 175.76 174.73 1wn5 s LEU 34 N -1.97 3.47 0.42 0.00 2.96 0.42 -1.39 118.68 122.58 1wn5 s LEU 34 Ca 0.02 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1wn5 s LEU 34 Cb -0.08 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1wn5 s LEU 34 CO 0.03 0.20 0.67 -0.94 -1.32 0.00 0.00 176.35 174.98 1wn5 s SER 35 N 0.21 6.17 0.60 3.68 1.04 -0.06 -0.06 113.70 125.27 1wn5 s SER 35 Ca 0.00 0.60 0.31 0.00 0.48 0.00 0.00 55.95 57.34 1wn5 s SER 35 Cb -0.13 -2.00 1.86 0.00 0.10 0.00 0.00 66.02 65.85 1wn5 s SER 35 CO 0.02 -0.50 2.26 0.77 0.98 0.00 0.00 173.24 176.76 1wn5 h SER 36 N 0.46 0.00 -0.03 7.02 4.64 -1.35 -1.01 113.55 123.28 1wn5 h SER 36 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wn5 h SER 36 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wn5 h SER 36 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1wn5 n ASP 37 N -3.79 1.20 0.00 4.97 3.85 -1.26 -4.93 116.55 116.58 1wn5 n ASP 37 Ca -0.03 -1.43 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 1wn5 n ASP 37 Cb 0.09 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 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 1.12 0.47 3.87 6.12 0.00 -0.38 -5.09 105.19 111.30 1wn5 n GLY 38 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.98 3.81 -0.07 1.61 0.52 -1.26 -4.82 118.95 117.76 1wn5 s ARG 39 Ca 0.00 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 1wn5 s ARG 39 Cb 0.00 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1wn5 s ARG 39 CO 0.00 -0.05 -0.20 0.42 0.02 0.00 0.00 175.30 175.50 1wn5 s ILE 40 N -2.37 2.54 -0.02 1.52 1.01 -1.26 -0.88 121.20 121.74 1wn5 s ILE 40 Ca 0.52 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.34 1wn5 s ILE 40 Cb -0.10 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1wn5 s ILE 40 CO 0.30 0.57 -0.21 -0.36 0.00 0.00 0.00 174.94 175.24 1wn5 s PHE 41 N -0.28 1.93 0.43 3.97 0.40 -0.49 -4.97 117.98 118.97 1wn5 s PHE 41 Ca 0.01 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1wn5 s PHE 41 Cb -0.13 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1wn5 s PHE 41 CO 0.03 -0.06 0.04 0.95 0.70 0.00 0.00 175.22 176.88 1wn5 s THR 42 N -0.43 1.26 0.00 0.64 -4.23 -1.26 -1.01 115.64 110.61 1wn5 s THR 42 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1wn5 s THR 42 Cb -0.09 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1wn5 s THR 42 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1wn5 n GLY 43 N -1.01 1.12 3.41 3.99 0.00 -0.97 -4.61 105.19 107.12 1wn5 n GLY 43 Ca -0.10 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1wn5 n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wn5 s VAL 44 N -2.00 2.12 0.86 1.61 -7.23 -1.26 -0.85 120.40 113.65 1wn5 s VAL 44 Ca 0.00 -2.30 -0.12 0.00 -1.81 0.00 0.00 61.98 57.75 1wn5 s VAL 44 Cb 0.00 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.88 1wn5 s VAL 44 CO 0.00 -0.49 1.12 0.54 -0.31 0.00 0.00 175.10 175.97 1wn5 s ASN 45 N -3.39 3.91 -0.33 4.85 4.22 -0.61 -4.51 114.94 119.09 1wn5 s ASN 45 Ca 0.26 1.10 -0.01 0.00 -2.14 0.00 0.00 52.86 52.07 1wn5 s ASN 45 Cb -0.03 -1.74 0.11 0.00 1.28 0.00 0.00 41.25 40.87 1wn5 s ASN 45 CO 0.11 -2.31 0.12 -0.69 -2.04 0.00 0.00 177.10 172.29 1wn5 s VAL 46 N -3.23 0.79 0.19 3.54 1.01 -0.28 -4.39 120.40 118.03 1wn5 s VAL 46 Ca 0.63 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1wn5 s VAL 46 Cb -0.15 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 1wn5 s VAL 46 CO 0.54 -0.73 1.19 -0.47 0.00 0.00 0.00 175.10 175.63 1wn5 s TYR 47 N 1.49 3.43 -0.28 5.22 6.14 -0.31 -3.16 117.35 129.88 1wn5 s TYR 47 Ca 0.11 1.44 -0.24 0.00 0.64 0.00 0.00 57.07 59.02 1wn5 s TYR 47 Cb -0.18 -3.42 0.12 0.00 0.42 0.00 0.00 41.96 38.89 1wn5 s TYR 47 CO -0.22 -1.16 1.00 -1.58 0.64 0.00 0.00 175.55 174.23 1wn5 s HIS 48 N -0.13 -0.52 0.63 4.97 2.46 -1.26 -4.82 115.29 116.63 1wn5 s HIS 48 Ca 0.52 1.23 0.37 0.00 0.47 0.00 0.00 55.06 57.65 1wn5 s HIS 48 Cb -0.33 0.36 2.12 0.00 -0.13 0.00 0.00 32.58 34.61 1wn5 s HIS 48 CO 0.37 -0.25 2.30 0.27 -2.47 0.00 0.00 174.74 174.96 1wn5 h PHE 49 N 4.47 0.00 -0.03 3.88 -0.00 -1.96 0.07 116.94 123.37 1wn5 h PHE 49 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 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 -3.42 0.04 0.00 0.88 -2.24 -1.26 -4.84 114.28 103.44 1wn5 n THR 50 Ca -0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wn5 n THR 50 Cb 0.10 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.90 0.87 3.63 3.38 0.00 -0.08 -5.06 105.19 108.83 1wn5 n GLY 51 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 0.04 3.77 -0.02 0.00 -0.66 -4.86 105.19 103.45 1wn5 n GLY 52 Ca 0.00 0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.85 3.66 0.75 1.61 0.04 -1.19 -4.62 135.00 133.40 1wn5 s PRO 53 Ca 0.59 2.44 -0.11 0.00 0.04 0.00 0.00 61.00 63.96 1wn5 s PRO 53 Cb -0.60 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wn5 s PRO 53 CO 0.59 -0.85 1.09 0.00 0.04 0.00 0.00 177.00 177.88 1wn5 h ALA 55 N -0.90 1.71 -1.00 0.00 0.00 -1.82 -1.28 119.26 115.98 1wn5 h ALA 55 Ca -0.46 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1wn5 h ALA 55 Cb 1.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1wn5 h ALA 55 CO 0.61 -0.05 0.66 0.93 0.00 0.00 0.00 179.25 181.39 1wn5 h GLU 56 N 0.77 1.32 -0.19 0.00 3.07 -1.91 -1.56 114.58 116.07 1wn5 h GLU 56 Ca 0.55 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 59.20 1wn5 h GLU 56 Cb 0.85 -0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1wn5 h GLU 56 CO -0.33 0.88 -0.42 -0.07 -1.40 0.00 0.00 179.01 177.67 1wn5 h LEU 57 N 1.36 0.47 -0.96 1.33 3.38 -1.60 -0.91 115.31 118.38 1wn5 h LEU 57 Ca 0.36 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1wn5 h LEU 57 Cb -0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1wn5 h LEU 57 CO -0.08 0.84 -0.14 0.58 0.09 0.00 0.00 178.44 179.73 1wn5 h VAL 58 N 0.37 1.25 -0.43 1.22 2.07 -1.15 -1.43 116.25 118.14 1wn5 h VAL 58 Ca 0.03 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1wn5 h VAL 58 Cb 0.89 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1wn5 h VAL 58 CO 0.08 0.37 -0.04 0.58 0.02 0.00 0.00 177.57 178.57 1wn5 h VAL 59 N 0.54 1.27 -1.01 2.57 2.07 -0.84 -0.16 116.25 120.70 1wn5 h VAL 59 Ca 0.09 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1wn5 h VAL 59 Cb 0.56 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1wn5 h VAL 59 CO 0.04 0.38 0.67 -0.07 0.02 0.00 0.00 177.57 178.60 1wn5 h LEU 60 N 0.63 1.15 -0.57 2.57 4.07 -0.77 0.11 115.31 122.49 1wn5 h LEU 60 Ca 0.12 -0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.90 1wn5 h LEU 60 Cb 0.55 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1wn5 h LEU 60 CO 0.03 0.83 -0.49 1.23 -1.08 0.00 0.00 178.44 178.97 1wn5 h GLY 61 N 1.36 0.63 1.05 0.83 0.00 -0.98 -1.34 103.07 104.62 1wn5 h GLY 61 Ca 0.37 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1wn5 h GLY 61 CO -0.08 0.61 -0.17 -0.84 0.00 0.00 0.00 176.54 176.06 1wn5 h THR 62 N 0.45 1.27 -0.35 4.70 2.02 -0.43 -1.41 112.91 119.17 1wn5 h THR 62 Ca 0.02 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1wn5 h THR 62 Cb 1.02 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1wn5 h THR 62 CO 0.09 0.45 0.04 0.00 0.37 0.00 0.00 175.52 176.47 1wn5 h ALA 63 N 0.85 0.46 -0.76 6.16 0.00 -0.75 -2.86 119.26 122.36 1wn5 h ALA 63 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wn5 h ALA 63 Cb 0.73 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1wn5 h ALA 63 CO 0.06 0.18 0.47 0.00 0.00 0.00 0.00 179.25 179.96 1wn5 h ALA 64 N 0.88 1.39 0.00 0.00 0.00 -1.14 0.07 119.26 120.46 1wn5 h ALA 64 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wn5 h ALA 64 Cb 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wn5 h ALA 64 CO 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 1wn5 h ALA 65 N 1.47 1.02 -0.51 0.00 0.00 -1.04 -1.11 119.26 119.09 1wn5 h ALA 65 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wn5 h ALA 65 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wn5 h ALA 65 CO -0.05 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1wn5 n ALA 66 N -2.10 2.38 -3.82 0.00 0.00 -0.09 -4.95 120.51 111.93 1wn5 n ALA 66 Ca -0.01 -1.12 -0.26 0.00 0.00 0.00 0.00 53.44 52.05 1wn5 n ALA 66 Cb 0.18 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 1.43 -1.65 0.27 0.00 0.00 -0.42 -4.86 120.51 115.28 1wn5 n ALA 67 Ca 0.20 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.81 1wn5 n ALA 67 Cb 0.58 -3.21 0.67 0.00 0.00 0.00 0.00 19.45 17.49 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 0.92 1.01 -0.25 0.00 0.00 -1.52 -3.49 119.26 115.92 1wn5 h ALA 68 Ca -0.60 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1wn5 h ALA 68 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wn5 h ALA 68 CO 0.62 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1wn5 n GLY 69 N 0.01 0.50 3.77 0.00 0.00 -1.26 -4.52 105.19 103.69 1wn5 n GLY 69 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1wn5 n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wn5 s ASN 70 N -4.00 6.66 -0.16 1.61 0.02 -1.26 -4.92 114.94 112.90 1wn5 s ASN 70 Ca 0.00 2.76 -0.06 0.00 -1.02 0.00 0.00 52.86 54.55 1wn5 s ASN 70 Cb 0.00 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.58 1wn5 s ASN 70 CO 0.00 -0.63 0.03 -0.76 0.02 0.00 0.00 177.10 175.76 1wn5 s LEU 71 N -1.61 3.69 -0.11 0.60 1.43 -1.26 -1.11 118.68 120.31 1wn5 s LEU 71 Ca 0.51 0.07 0.20 0.00 -1.03 0.00 0.00 54.13 53.88 1wn5 s LEU 71 Cb -0.42 -1.91 -0.27 0.00 0.03 0.00 0.00 46.19 43.62 1wn5 s LEU 71 CO 0.53 0.22 0.31 0.35 0.23 0.00 0.00 176.35 177.99 1wn5 n THR 72 N 3.19 0.81 -3.69 5.49 -2.24 0.91 -4.08 114.28 114.67 1wn5 n THR 72 Ca -0.17 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.76 1wn5 n THR 72 Cb 0.53 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.14 0.08 0.03 0.00 2.07 -0.48 -0.44 121.20 121.31 1wn5 s ILE 74 Ca -0.12 -0.63 -0.12 0.00 -1.41 0.00 0.00 60.65 58.38 1wn5 s ILE 74 Cb -0.03 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.79 1wn5 s ILE 74 CO 0.06 -0.35 0.25 0.54 -1.91 0.00 0.00 174.94 173.53 1wn5 s VAL 75 N -2.01 0.09 -0.04 4.00 0.11 -0.67 -1.05 120.40 120.83 1wn5 s VAL 75 Ca -0.09 -0.71 0.05 0.00 -2.93 0.00 0.00 61.98 58.31 1wn5 s VAL 75 Cb -0.03 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1wn5 s VAL 75 CO -0.00 -0.39 -0.21 0.00 -3.33 0.00 0.00 175.10 171.17 1wn5 s ALA 76 N -2.19 1.79 -0.11 1.54 0.00 -1.26 -1.76 121.76 119.77 1wn5 s ALA 76 Ca -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1wn5 s ALA 76 Cb -0.02 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1wn5 s ALA 76 CO -0.01 0.35 -0.15 0.42 0.00 0.00 0.00 175.76 176.37 1wn5 s ILE 77 N -0.13 1.53 0.53 0.00 -1.09 0.12 -1.40 121.20 120.76 1wn5 s ILE 77 Ca -0.01 -0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 1wn5 s ILE 77 Cb -0.12 -1.40 -0.07 0.00 -1.58 0.00 0.00 42.46 39.29 1wn5 s ILE 77 CO 0.02 0.45 0.99 -0.83 -1.23 0.00 0.00 174.94 174.34 1wn5 s GLY 78 N 1.03 2.02 1.16 6.18 0.00 -0.26 -1.19 107.32 116.26 1wn5 s GLY 78 Ca -0.05 0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.63 1wn5 s GLY 78 CO -0.03 0.43 1.09 1.16 0.00 0.00 0.00 173.10 175.76 1wn5 n ASN 79 N -1.75 -1.77 -3.96 1.64 6.94 -0.07 -3.42 115.26 112.86 1wn5 n ASN 79 Ca 0.07 -1.19 -0.28 0.00 -0.02 0.00 0.00 54.58 53.16 1wn5 n ASN 79 Cb 0.54 -0.98 -0.01 0.00 -2.36 0.00 0.00 39.78 36.97 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 -4.62 -3.90 -2.69 -3.83 1.02 -1.26 -1.99 120.64 103.37 1wn5 n GLU 80 Ca 0.15 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.60 1wn5 n GLU 80 Cb 0.57 -4.90 -0.00 0.00 -0.02 0.00 0.00 31.44 27.08 1wn5 n GLU 80 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wn5 n ASN 81 N -2.91 -4.07 0.24 1.62 3.02 -1.26 -4.85 115.26 107.05 1wn5 n ASN 81 Ca -0.18 0.03 0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1wn5 n ASN 81 Cb 0.62 -3.42 0.46 0.00 -0.61 0.00 0.00 39.78 36.82 1wn5 n ASN 81 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1wn5 h ARG 82 N -0.32 0.00 0.00 3.52 3.08 -1.42 -3.49 114.38 115.75 1wn5 h ARG 82 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1wn5 h ARG 82 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wn5 h ARG 82 CO 0.41 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 1wn5 n GLY 83 N 0.52 -0.44 3.75 0.04 0.00 -1.25 -4.78 105.19 103.02 1wn5 n GLY 83 Ca 0.02 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 2.13 -0.08 -0.61 1.01 -1.26 -1.10 121.20 121.29 1wn5 s ILE 84 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1wn5 s ILE 84 Cb 0.00 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1wn5 s ILE 84 CO 0.00 0.02 -0.13 -0.76 0.00 0.00 0.00 174.94 174.07 1wn5 s LEU 85 N -0.47 1.64 0.37 2.97 1.43 -0.49 -4.87 118.68 119.25 1wn5 s LEU 85 Ca 0.63 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 1wn5 s LEU 85 Cb -0.47 -0.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.74 1wn5 s LEU 85 CO 0.47 0.02 1.32 -0.44 0.23 0.00 0.00 176.35 177.96 1wn5 s SER 86 N 0.80 6.53 0.44 2.29 0.01 -1.26 -4.20 113.70 118.31 1wn5 s SER 86 Ca -0.12 2.70 -0.25 0.00 1.31 0.00 0.00 55.95 59.60 1wn5 s SER 86 Cb -0.15 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.35 1wn5 s SER 86 CO 0.02 -0.70 1.39 -2.16 0.41 0.00 0.00 173.24 172.19 1wn5 s PRO 87 N -2.02 3.74 0.99 12.44 0.04 -1.26 -4.98 135.00 143.95 1wn5 s PRO 87 Ca 0.53 2.33 -0.13 0.00 0.04 0.00 0.00 61.00 63.77 1wn5 s PRO 87 Cb -0.40 -2.66 0.18 0.00 0.04 0.00 0.00 34.50 31.67 1wn5 s PRO 87 CO 0.52 -0.74 1.11 0.00 0.04 0.00 0.00 177.00 177.93 1wn5 h GLY 89 N -1.83 1.46 0.88 0.00 0.00 -1.98 -1.00 103.07 100.61 1wn5 h GLY 89 Ca -0.53 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.35 1wn5 h GLY 89 CO 0.58 0.27 0.06 -0.09 0.00 0.00 0.00 176.54 177.35 1wn5 h ARG 90 N 1.05 0.45 -0.92 4.80 2.43 -2.00 -2.16 114.38 118.02 1wn5 h ARG 90 Ca 0.42 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1wn5 h ARG 90 Cb 0.24 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1wn5 h ARG 90 CO -0.20 0.54 0.59 0.00 -1.51 0.00 0.00 179.97 179.40 1wn5 h ARG 92 N 1.26 1.09 -0.23 0.00 3.08 -0.94 0.67 114.38 119.30 1wn5 h ARG 92 Ca 0.34 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1wn5 h ARG 92 Cb -0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 1wn5 h ARG 92 CO -0.07 0.72 0.01 0.37 -1.07 0.00 0.00 179.97 179.93 1wn5 h GLN 93 N 1.12 0.39 -0.52 0.04 5.75 -0.74 -0.66 115.11 120.49 1wn5 h GLN 93 Ca 0.35 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1wn5 h GLN 93 Cb 0.00 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1wn5 h GLN 93 CO -0.12 0.56 0.25 0.28 -2.65 0.00 0.00 178.83 177.16 1wn5 h VAL 94 N 0.17 1.20 -0.41 2.39 2.07 -0.89 -1.15 116.25 119.62 1wn5 h VAL 94 Ca 0.07 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1wn5 h VAL 94 Cb 0.38 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1wn5 h VAL 94 CO 0.01 0.22 0.23 -0.07 0.02 0.00 0.00 177.57 177.98 1wn5 h LEU 95 N 0.70 0.52 -0.45 2.57 3.38 -0.79 0.14 115.31 121.37 1wn5 h LEU 95 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wn5 h LEU 95 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wn5 h LEU 95 CO -0.02 0.46 0.29 0.25 0.09 0.00 0.00 178.44 179.51 1wn5 h LEU 96 N 0.54 0.53 -0.47 1.67 5.85 -0.90 0.52 115.31 123.05 1wn5 h LEU 96 Ca 0.15 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 1wn5 h LEU 96 Cb 0.05 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1wn5 h LEU 96 CO -0.02 0.40 -0.61 0.44 -0.34 0.00 0.00 178.44 178.30 1wn5 h ASP 97 N 0.61 0.60 0.26 1.25 3.32 -0.98 -2.96 116.42 118.52 1wn5 h ASP 97 Ca 0.17 -0.34 -0.28 0.00 0.02 0.00 0.00 57.03 56.59 1wn5 h ASP 97 Cb -0.05 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1wn5 h ASP 97 CO -0.03 1.07 -1.99 0.18 -1.72 0.00 0.00 179.24 176.74 1wn5 n LEU 98 N -3.92 0.40 -3.18 1.55 4.77 0.48 -4.67 117.00 112.42 1wn5 n LEU 98 Ca -0.04 0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1wn5 n LEU 98 Cb 0.64 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.97 1wn5 n LEU 98 CO 0.48 0.36 -0.26 1.41 -1.33 0.00 0.00 177.39 178.05 1wn5 n HIS 99 N -2.82 -0.23 0.26 -1.77 8.25 0.18 -4.98 115.22 114.12 1wn5 n HIS 99 Ca -0.22 -3.62 0.14 0.00 -0.26 0.00 0.00 57.72 53.76 1wn5 n HIS 99 Cb 1.02 -0.34 0.73 0.00 1.12 0.00 0.00 29.99 32.53 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 3.64 0.00 -0.22 -0.41 0.13 -1.48 0.20 132.00 133.86 1wn5 h PRO 100 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wn5 h PRO 100 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wn5 h PRO 100 CO 0.47 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 1wn5 n GLY 101 N -1.22 0.93 3.83 1.56 0.00 -1.26 -4.79 105.19 104.23 1wn5 n GLY 101 Ca -0.02 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.73 4.24 0.05 -0.61 2.07 0.06 -4.87 121.20 120.42 1wn5 s ILE 102 Ca 0.35 1.04 0.08 0.00 -1.41 0.00 0.00 60.65 60.71 1wn5 s ILE 102 Cb 0.20 -3.59 -0.03 0.00 0.13 0.00 0.00 42.46 39.18 1wn5 s ILE 102 CO 0.30 -0.64 -0.23 -0.54 -1.91 0.00 0.00 174.94 171.91 1wn5 s LYS 103 N -4.15 1.49 0.02 3.50 1.02 -0.76 -1.74 119.74 119.12 1wn5 s LYS 103 Ca 0.60 -1.03 0.06 0.00 0.02 0.00 0.00 55.97 55.62 1wn5 s LYS 103 Cb -0.12 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 1wn5 s LYS 103 CO 0.35 0.42 -0.15 0.00 -0.92 0.00 0.00 175.35 175.05 1wn5 s ALA 104 N -0.84 2.68 -0.21 5.17 0.00 0.34 -1.38 121.76 127.52 1wn5 s ALA 104 Ca 0.09 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1wn5 s ALA 104 Cb -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1wn5 s ALA 104 CO 0.02 0.58 0.53 0.42 0.00 0.00 0.00 175.76 177.32 1wn5 s ILE 105 N -0.90 5.09 0.23 0.00 1.01 -0.21 -0.41 121.20 126.00 1wn5 s ILE 105 Ca 0.15 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1wn5 s ILE 105 Cb -0.11 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1wn5 s ILE 105 CO 0.05 0.15 0.12 0.68 0.00 0.00 0.00 174.94 175.94 1wn5 s VAL 106 N 1.79 0.29 -0.12 2.92 -7.23 0.05 -4.66 120.40 113.44 1wn5 s VAL 106 Ca 0.24 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1wn5 s VAL 106 Cb -0.15 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1wn5 s VAL 106 CO 0.10 0.00 0.36 -0.54 -0.31 0.00 0.00 175.10 174.70 1wn5 s LYS 107 N -4.08 4.18 0.52 4.82 1.02 -1.26 -0.38 119.74 124.56 1wn5 s LYS 107 Ca 0.38 0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.53 1wn5 s LYS 107 Cb 0.07 -3.38 0.12 0.00 -0.52 0.00 0.00 37.83 34.12 1wn5 s LYS 107 CO 0.13 0.32 0.71 -0.40 -0.92 0.00 0.00 175.35 175.20 1wn5 n ASP 108 N 3.20 0.13 -0.04 2.83 3.85 -0.26 -4.79 116.55 121.47 1wn5 n ASP 108 Ca -0.11 -1.30 0.16 0.00 -0.71 0.00 0.00 54.79 52.83 1wn5 n ASP 108 Cb 0.52 -0.54 0.60 0.00 -1.35 0.00 0.00 41.12 40.35 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 -0.89 0.18 -0.02 -1.12 4.64 -1.98 0.54 113.55 114.90 1wn5 h SER 109 Ca -0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1wn5 h SER 109 Cb 0.65 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1wn5 h SER 109 CO 0.17 0.10 0.00 0.47 -0.87 0.00 0.00 176.83 176.70 1wn5 n ASP 110 N -4.43 0.19 -0.24 4.97 8.00 -1.26 -4.86 116.55 118.92 1wn5 n ASP 110 Ca 0.10 -1.38 -0.03 0.00 0.71 0.00 0.00 54.79 54.19 1wn5 n ASP 110 Cb 0.50 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.87 0.54 3.88 0.44 0.00 0.19 -5.00 105.19 106.11 1wn5 n GLY 111 Ca 0.16 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.55 3.60 0.33 1.61 -1.52 -1.26 -4.71 119.66 116.16 1wn5 s GLN 112 Ca 0.00 -0.02 -0.29 0.00 -1.95 0.00 0.00 55.36 53.10 1wn5 s GLN 112 Cb 0.00 -3.11 -0.12 0.00 -0.22 0.00 0.00 33.01 29.56 1wn5 s GLN 112 CO 0.00 0.67 1.48 -2.30 -0.25 0.00 0.00 175.29 174.89 1wn5 n PRO 113 N 1.33 2.51 -3.69 2.91 -0.02 -1.26 -1.10 135.00 135.68 1wn5 n PRO 113 Ca -0.13 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1wn5 n PRO 113 Cb 0.53 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.63 -0.00 -0.19 3.45 -1.32 0.49 -4.39 115.64 113.05 1wn5 s THR 114 Ca 0.59 0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.89 1wn5 s THR 114 Cb -0.52 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1wn5 s THR 114 CO 0.57 0.00 0.49 0.00 -2.21 0.00 0.00 174.62 173.47 1wn5 s ALA 115 N 0.42 3.53 0.02 11.08 0.00 -1.26 -0.77 121.76 134.78 1wn5 s ALA 115 Ca -0.01 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.64 1wn5 s ALA 115 Cb -0.04 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1wn5 s ALA 115 CO -0.01 -0.35 -0.24 0.08 0.00 0.00 0.00 175.76 175.24 1wn5 s VAL 116 N 1.43 1.94 0.36 0.00 1.01 0.45 -4.89 120.40 120.69 1wn5 s VAL 116 Ca 0.24 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 1wn5 s VAL 116 Cb -0.15 -1.64 -0.11 0.00 0.00 0.00 0.00 36.38 34.47 1wn5 s VAL 116 CO 0.09 0.40 1.51 -0.83 0.00 0.00 0.00 175.10 176.27 1wn5 s GLY 117 N -0.96 2.77 0.42 4.51 0.00 -1.26 -0.50 107.32 112.29 1wn5 s GLY 117 Ca 0.10 1.57 0.13 0.00 0.00 0.00 0.00 44.72 46.52 1wn5 s GLY 117 CO 0.01 2.32 1.94 1.19 0.00 0.00 0.00 173.10 178.56 1wn5 h ILE 118 N 3.06 0.86 0.00 0.90 6.09 -1.65 -1.09 117.51 125.70 1wn5 h ILE 118 Ca -0.50 -0.16 -0.02 0.00 -1.37 0.00 0.00 64.86 62.81 1wn5 h ILE 118 Cb 1.23 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 1wn5 h ILE 118 CO 0.67 0.09 -0.10 0.03 -3.07 0.00 0.00 178.15 175.77 1wn5 h ARG 119 N 0.48 0.00 0.00 2.19 3.08 -1.87 -1.45 114.38 116.80 1wn5 h ARG 119 Ca 0.33 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.32 1wn5 h ARG 119 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1wn5 h ARG 119 CO -0.11 0.10 -0.29 0.93 -1.07 0.00 0.00 179.97 179.53 1wn5 h GLU 120 N 0.00 0.00 -0.00 0.04 5.08 -1.55 -2.29 114.58 115.85 1wn5 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wn5 h GLU 120 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wn5 h GLU 120 CO 0.01 0.29 -0.26 1.28 -1.00 0.00 0.00 179.01 179.33 1wn5 n LEU 121 N -3.59 0.33 -3.22 1.33 4.77 -0.57 -4.28 117.00 111.78 1wn5 n LEU 121 Ca -0.01 0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1wn5 n LEU 121 Cb 0.42 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1wn5 n LEU 121 CO 0.35 0.08 -0.24 0.18 -1.33 0.00 0.00 177.39 176.42 1wn5 n LEU 122 N -1.40 0.71 -4.76 2.23 4.77 -0.87 -5.07 117.00 112.61 1wn5 n LEU 122 Ca 0.07 -4.80 -0.41 0.00 -0.03 0.00 0.00 56.01 50.84 1wn5 n LEU 122 Cb 0.33 0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.86 1wn5 n LEU 122 CO 0.30 2.07 1.18 -2.16 -1.33 0.00 0.00 177.39 177.45 1wn5 s PRO 123 N -1.38 4.15 -1.58 3.23 0.04 -1.19 -1.53 135.00 136.74 1wn5 s PRO 123 Ca 0.36 2.52 -0.01 0.00 0.04 0.00 0.00 61.00 63.91 1wn5 s PRO 123 Cb 0.17 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1wn5 s PRO 123 CO -0.10 -0.55 0.06 0.43 0.04 0.00 0.00 177.00 176.89 1wn5 n SER 124 N 1.60 -5.41 -4.49 6.66 7.64 -1.26 -4.90 113.62 113.45 1wn5 n SER 124 Ca 0.05 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 1wn5 n SER 124 Cb 0.39 -4.51 0.09 0.00 -1.01 0.00 0.00 64.21 59.17 1wn5 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wn5 n GLY 125 N -1.01 -1.37 0.20 0.23 0.00 -0.58 -5.28 105.19 97.37 1wn5 n GLY 125 Ca -0.21 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.47 1wn5 n GLY 125 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30