#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 4.58 1.02 1.53 1.43 -1.26 -4.92 118.68 121.06 1wn5 s LEU 3 Ca 0.00 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 1wn5 s LEU 3 Cb 0.00 -3.48 0.22 0.00 0.03 0.00 0.00 46.19 42.95 1wn5 s LEU 3 CO 0.00 0.16 1.23 -0.94 0.23 0.00 0.00 176.35 177.03 1wn5 s SER 4 N -1.23 2.54 0.11 2.29 1.04 -1.26 -4.81 113.70 112.38 1wn5 s SER 4 Ca 0.39 0.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.10 1wn5 s SER 4 Cb -0.23 -0.65 -0.06 0.00 0.10 0.00 0.00 66.02 65.18 1wn5 s SER 4 CO 0.28 -3.11 1.70 1.56 0.98 0.00 0.00 173.24 174.65 1wn5 h GLN 5 N -1.89 0.34 -0.00 4.02 7.50 -2.00 -2.12 115.11 120.97 1wn5 h GLN 5 Ca -0.45 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 58.60 1wn5 h GLN 5 Cb 1.27 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 1wn5 h GLN 5 CO 0.40 0.33 -0.24 1.05 -1.50 0.00 0.00 178.83 178.87 1wn5 h GLU 6 N 0.27 0.01 -0.20 1.46 9.09 -1.99 -1.44 114.58 121.78 1wn5 h GLU 6 Ca 0.09 -0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.28 1wn5 h GLU 6 Cb 0.09 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 1wn5 h GLU 6 CO -0.01 0.25 -0.70 0.93 0.05 0.00 0.00 179.01 179.52 1wn5 h GLU 7 N 0.01 0.82 -0.11 1.06 5.08 -1.85 -1.93 114.58 117.65 1wn5 h GLU 7 Ca -0.00 -0.62 -0.12 0.00 -1.00 0.00 0.00 59.36 57.62 1wn5 h GLU 7 Cb 0.43 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1wn5 h GLU 7 CO 0.03 1.23 -0.48 0.77 -1.00 0.00 0.00 179.01 179.56 1wn5 h SER 8 N 0.59 0.30 -0.62 1.42 0.02 -1.14 -2.72 113.55 111.39 1wn5 h SER 8 Ca -0.03 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1wn5 h SER 8 Cb 1.32 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1wn5 h SER 8 CO 0.15 0.74 0.08 0.74 -1.14 0.00 0.00 176.83 177.40 1wn5 h THR 9 N 0.22 1.26 -0.72 -2.27 2.02 -1.15 -1.68 112.91 110.59 1wn5 h THR 9 Ca 0.01 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1wn5 h THR 9 Cb 0.94 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1wn5 h THR 9 CO 0.08 0.38 0.40 -0.07 0.37 0.00 0.00 175.52 176.68 1wn5 h LEU 10 N 0.96 0.90 -0.64 2.58 3.38 -1.18 0.16 115.31 121.46 1wn5 h LEU 10 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wn5 h LEU 10 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1wn5 h LEU 10 CO 0.02 0.74 0.38 0.40 0.09 0.00 0.00 178.44 180.06 1wn5 h ILE 11 N 1.00 1.19 -0.49 1.22 2.04 -1.17 -0.50 117.51 120.79 1wn5 h ILE 11 Ca 0.25 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1wn5 h ILE 11 Cb 0.03 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1wn5 h ILE 11 CO -0.04 0.20 0.15 -0.33 0.00 0.00 0.00 178.15 178.13 1wn5 h GLU 12 N 0.87 0.76 -0.42 2.37 4.39 -0.73 0.01 114.58 121.83 1wn5 h GLU 12 Ca 0.23 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1wn5 h GLU 12 Cb -0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1wn5 h GLU 12 CO -0.04 0.72 0.04 0.00 -1.16 0.00 0.00 179.01 178.57 1wn5 h ARG 13 N 0.66 0.71 -0.46 2.33 2.47 -0.73 0.30 114.38 119.66 1wn5 h ARG 13 Ca 0.16 -0.21 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 1wn5 h ARG 13 Cb 0.28 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1wn5 h ARG 13 CO -0.00 0.77 -0.11 0.00 0.56 0.00 0.00 179.97 181.18 1wn5 h ALA 14 N 0.92 0.63 -0.44 0.04 0.00 -1.02 -1.35 119.26 118.04 1wn5 h ALA 14 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1wn5 h ALA 14 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wn5 h ALA 14 CO 0.01 0.53 0.20 1.15 0.00 0.00 0.00 179.25 181.15 1wn5 h THR 15 N 0.73 1.19 -0.42 0.00 2.02 -0.85 -2.08 112.91 113.50 1wn5 h THR 15 Ca 0.12 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1wn5 h THR 15 Cb 0.66 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1wn5 h THR 15 CO 0.05 0.21 0.09 0.00 0.37 0.00 0.00 175.52 176.23 1wn5 h ALA 16 N 1.04 1.37 0.39 6.16 0.00 -0.83 -1.73 119.26 125.67 1wn5 h ALA 16 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wn5 h ALA 16 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wn5 h ALA 16 CO -0.02 0.45 -0.19 1.15 0.00 0.00 0.00 179.25 180.64 1wn5 h THR 17 N 0.61 0.59 -0.30 0.00 2.02 -0.78 -2.13 112.91 112.93 1wn5 h THR 17 Ca 0.14 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1wn5 h THR 17 Cb 0.25 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1wn5 h THR 17 CO -0.00 0.07 -0.14 -0.29 0.37 0.00 0.00 175.52 175.53 1wn5 h ILE 18 N -0.75 1.24 0.00 3.11 6.09 -1.34 -2.53 117.51 123.33 1wn5 h ILE 18 Ca -0.05 -1.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1wn5 h ILE 18 Cb 0.52 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1wn5 h ILE 18 CO 0.09 0.35 0.00 0.59 -3.07 0.00 0.00 178.15 176.11 1wn5 n ASN 19 N -4.19 0.00 -0.27 2.19 3.02 -0.66 -3.24 115.26 112.11 1wn5 n ASN 19 Ca 0.01 -0.28 0.12 0.00 -0.03 0.00 0.00 54.58 54.40 1wn5 n ASN 19 Cb 0.34 -0.23 0.15 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.23 1.33 -4.61 6.41 7.64 -0.80 -4.94 113.62 117.42 1wn5 n SER 20 Ca 0.15 -1.06 -0.24 0.00 1.01 0.00 0.00 58.87 58.73 1wn5 n SER 20 Cb 0.20 0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.63 3.29 0.50 0.44 -4.36 -1.20 -5.10 121.20 112.14 1wn5 s ILE 21 Ca 0.18 -1.88 -0.23 0.00 -0.26 0.00 0.00 60.65 58.46 1wn5 s ILE 21 Cb 0.18 -2.72 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 1wn5 s ILE 21 CO 0.61 -0.30 1.32 -2.65 0.24 0.00 0.00 174.94 174.16 1wn5 n PRO 22 N -0.58 1.79 -1.77 0.37 -0.02 -1.26 -4.89 135.00 128.63 1wn5 n PRO 22 Ca -0.08 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1wn5 n PRO 22 Cb 0.58 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1wn5 n PRO 22 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wn5 s ILE 23 N -1.27 2.05 -0.01 4.25 -1.09 -1.26 -4.98 121.20 118.90 1wn5 s ILE 23 Ca 0.67 0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.98 1wn5 s ILE 23 Cb -0.45 -3.03 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1wn5 s ILE 23 CO 0.53 0.01 0.33 -0.55 -1.23 0.00 0.00 174.94 174.02 1wn5 s SER 24 N 0.61 -0.20 0.04 3.58 0.15 -1.26 -5.03 113.70 111.59 1wn5 s SER 24 Ca 0.65 0.07 0.25 0.00 0.70 0.00 0.00 55.95 57.62 1wn5 s SER 24 Cb -0.48 0.33 0.43 0.00 -1.71 0.00 0.00 66.02 64.59 1wn5 s SER 24 CO 0.45 -0.48 1.36 -0.62 1.20 0.00 0.00 173.24 175.15 1wn5 n GLU 25 N 1.14 0.12 -0.04 5.44 1.02 -1.26 -3.95 120.64 123.10 1wn5 n GLU 25 Ca -0.21 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 56.82 1wn5 n GLU 25 Cb 0.57 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.73 1.26 -3.84 1.62 10.43 -1.26 -4.67 116.55 118.36 1wn5 n ASP 26 Ca 0.05 0.21 -0.30 0.00 2.57 0.00 0.00 54.79 57.32 1wn5 n ASP 26 Cb 0.38 -0.18 -0.14 0.00 1.84 0.00 0.00 41.12 43.02 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 -2.56 2.61 -0.08 1.24 4.12 -1.26 -1.18 117.35 120.25 1wn5 s TYR 27 Ca -0.15 -2.79 0.01 0.00 0.02 0.00 0.00 57.07 54.16 1wn5 s TYR 27 Cb 0.07 -2.37 0.00 0.00 -1.52 0.00 0.00 41.96 38.15 1wn5 s TYR 27 CO 0.78 -0.77 0.36 -1.13 0.02 0.00 0.00 175.55 174.81 1wn5 n SER 28 N 3.39 0.71 -3.93 2.29 3.41 -1.25 -4.08 113.62 114.16 1wn5 n SER 28 Ca 0.06 -0.86 -0.13 0.00 -0.26 0.00 0.00 58.87 57.69 1wn5 n SER 28 Cb 0.34 0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.41 0.17 0.22 -3.33 1.01 -1.26 -0.70 120.40 116.10 1wn5 s VAL 29 Ca 0.01 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.79 1wn5 s VAL 29 Cb 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1wn5 s VAL 29 CO 0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 175.10 174.81 1wn5 s ALA 30 N -0.41 2.65 0.04 5.51 0.00 -0.42 -1.64 121.76 127.49 1wn5 s ALA 30 Ca -0.03 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 1wn5 s ALA 30 Cb -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1wn5 s ALA 30 CO -0.00 0.38 0.01 0.45 0.00 0.00 0.00 175.76 176.59 1wn5 s SER 31 N -2.99 0.33 -0.06 0.00 0.15 -0.14 -0.31 113.70 110.67 1wn5 s SER 31 Ca 0.24 -0.73 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 1wn5 s SER 31 Cb -0.07 0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1wn5 s SER 31 CO 0.12 -0.49 0.16 0.00 1.20 0.00 0.00 173.24 174.23 1wn5 s ALA 32 N -2.86 -0.40 0.05 5.45 0.00 -0.84 -2.00 121.76 121.16 1wn5 s ALA 32 Ca -0.03 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1wn5 s ALA 32 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1wn5 s ALA 32 CO -0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 175.76 175.52 1wn5 s ALA 33 N 0.09 0.80 -0.14 0.00 0.00 0.09 -1.87 121.76 120.73 1wn5 s ALA 33 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 1wn5 s ALA 33 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1wn5 s ALA 33 CO 0.00 0.05 0.06 -1.17 0.00 0.00 0.00 175.76 174.70 1wn5 s LEU 34 N -1.61 3.84 0.18 0.00 2.96 -0.30 -1.01 118.68 122.74 1wn5 s LEU 34 Ca -0.07 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1wn5 s LEU 34 Cb -0.10 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1wn5 s LEU 34 CO 0.01 0.28 0.27 -0.94 -1.32 0.00 0.00 176.35 174.65 1wn5 s SER 35 N -0.29 6.13 0.37 3.68 1.04 -0.15 -0.83 113.70 123.66 1wn5 s SER 35 Ca 0.08 0.06 0.28 0.00 0.48 0.00 0.00 55.95 56.85 1wn5 s SER 35 Cb -0.12 -1.78 1.20 0.00 0.10 0.00 0.00 66.02 65.43 1wn5 s SER 35 CO 0.02 0.02 1.82 0.77 0.98 0.00 0.00 173.24 176.85 1wn5 h SER 36 N 1.90 0.00 -0.64 7.02 4.64 -1.06 -2.78 113.55 122.63 1wn5 h SER 36 Ca -0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.66 1wn5 h SER 36 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 1wn5 h SER 36 CO 0.65 0.00 0.21 -0.90 -0.87 0.00 0.00 176.83 175.93 1wn5 n ASP 37 N -2.53 4.58 -1.27 4.97 3.85 -1.26 -4.94 116.55 119.95 1wn5 n ASP 37 Ca 0.01 -3.03 -0.05 0.00 -0.71 0.00 0.00 54.79 51.01 1wn5 n ASP 37 Cb 0.22 -0.71 0.02 0.00 -1.35 0.00 0.00 41.12 39.29 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 -0.01 0.55 3.13 6.12 0.00 -1.05 -5.08 105.19 108.84 1wn5 n GLY 38 Ca 0.35 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.08 0.73 -0.08 1.61 0.52 -1.25 -4.99 118.95 110.41 1wn5 s ARG 39 Ca 0.10 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 1wn5 s ARG 39 Cb -0.05 0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.51 1wn5 s ARG 39 CO 0.16 -0.10 -0.12 0.42 0.02 0.00 0.00 175.30 175.68 1wn5 s ILE 40 N -3.84 1.16 -0.05 1.52 1.01 -1.26 -0.98 121.20 118.77 1wn5 s ILE 40 Ca 0.11 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1wn5 s ILE 40 Cb 0.07 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1wn5 s ILE 40 CO -0.07 0.37 -0.14 -0.36 0.00 0.00 0.00 174.94 174.74 1wn5 s PHE 41 N 0.84 2.70 0.49 3.97 0.40 -0.18 -4.93 117.98 121.26 1wn5 s PHE 41 Ca -0.11 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1wn5 s PHE 41 Cb -0.15 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1wn5 s PHE 41 CO 0.02 0.19 0.05 0.95 0.70 0.00 0.00 175.22 177.13 1wn5 s THR 42 N -0.74 1.44 0.00 0.64 -4.23 -1.26 -0.73 115.64 110.76 1wn5 s THR 42 Ca 0.12 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1wn5 s THR 42 Cb -0.11 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1wn5 s THR 42 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1wn5 n GLY 43 N -1.25 0.91 3.24 3.99 0.00 -0.85 -4.49 105.19 106.74 1wn5 n GLY 43 Ca -0.14 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 1wn5 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wn5 s VAL 44 N -2.00 1.41 0.89 1.61 1.01 -1.26 -0.97 120.40 121.10 1wn5 s VAL 44 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 1wn5 s VAL 44 Cb 0.00 -1.44 0.13 0.00 0.00 0.00 0.00 36.38 35.07 1wn5 s VAL 44 CO 0.00 -0.26 1.09 0.54 0.00 0.00 0.00 175.10 176.47 1wn5 s ASN 45 N -2.14 3.51 -0.36 3.32 4.22 -0.65 -4.53 114.94 118.32 1wn5 s ASN 45 Ca 0.06 1.50 0.00 0.00 -2.14 0.00 0.00 52.86 52.28 1wn5 s ASN 45 Cb -0.08 -2.18 0.11 0.00 1.28 0.00 0.00 41.25 40.39 1wn5 s ASN 45 CO 0.03 -2.61 0.15 -0.69 -2.04 0.00 0.00 177.10 171.94 1wn5 s VAL 46 N -2.93 1.06 0.15 3.54 1.01 -0.33 -4.39 120.40 118.52 1wn5 s VAL 46 Ca 0.63 -1.84 -0.31 0.00 0.00 0.00 0.00 61.98 60.47 1wn5 s VAL 46 Cb -0.18 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 1wn5 s VAL 46 CO 0.57 -0.77 1.33 -0.47 0.00 0.00 0.00 175.10 175.77 1wn5 s TYR 47 N 1.14 3.27 -0.28 5.22 6.14 -0.32 -3.33 117.35 129.19 1wn5 s TYR 47 Ca 0.13 1.12 -0.22 0.00 0.64 0.00 0.00 57.07 58.73 1wn5 s TYR 47 Cb -0.20 -3.62 0.10 0.00 0.42 0.00 0.00 41.96 38.66 1wn5 s TYR 47 CO -0.14 -2.04 0.87 -1.58 0.64 0.00 0.00 175.55 173.30 1wn5 s HIS 48 N 0.61 -0.69 0.63 4.97 2.46 -1.26 -4.82 115.29 117.19 1wn5 s HIS 48 Ca 0.60 1.56 0.33 0.00 0.47 0.00 0.00 55.06 58.02 1wn5 s HIS 48 Cb -0.36 0.38 1.85 0.00 -0.13 0.00 0.00 32.58 34.32 1wn5 s HIS 48 CO 0.34 -0.33 2.11 0.27 -2.47 0.00 0.00 174.74 174.66 1wn5 h PHE 49 N 5.22 0.00 -0.04 3.88 -0.00 -1.96 0.17 116.94 124.20 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 0.26 0.00 0.00 0.25 -0.00 0.00 0.00 178.31 178.82 1wn5 n THR 50 N -3.35 0.05 0.00 0.88 -2.24 -1.26 -4.85 114.28 103.51 1wn5 n THR 50 Ca -0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wn5 n THR 50 Cb 0.29 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.95 0.87 3.61 3.38 0.00 0.53 -5.06 105.19 109.47 1wn5 n GLY 51 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.22 3.76 -0.02 0.00 -0.72 -4.86 105.19 103.13 1wn5 n GLY 52 Ca 0.00 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 3.39 0.79 1.61 0.04 -1.21 -4.61 135.00 132.96 1wn5 s PRO 53 Ca 0.64 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.78 1wn5 s PRO 53 Cb -0.55 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 31.65 1wn5 s PRO 53 CO 0.56 -0.99 1.12 0.00 0.04 0.00 0.00 177.00 177.73 1wn5 h ALA 55 N -1.00 1.75 -0.65 0.00 0.00 -1.82 -1.58 119.26 115.96 1wn5 h ALA 55 Ca -0.47 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1wn5 h ALA 55 Cb 1.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1wn5 h ALA 55 CO 0.62 0.00 0.29 0.93 0.00 0.00 0.00 179.25 181.09 1wn5 h GLU 56 N 0.77 0.93 -0.14 0.00 3.07 -1.91 -1.26 114.58 116.03 1wn5 h GLU 56 Ca 0.46 -0.13 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1wn5 h GLU 56 Cb 0.66 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1wn5 h GLU 56 CO -0.22 0.73 -0.60 -0.07 -1.40 0.00 0.00 179.01 177.45 1wn5 h LEU 57 N 0.92 0.53 -0.81 1.33 3.38 -1.65 -1.29 115.31 117.72 1wn5 h LEU 57 Ca 0.22 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1wn5 h LEU 57 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1wn5 h LEU 57 CO -0.03 1.01 0.30 0.58 0.09 0.00 0.00 178.44 180.39 1wn5 h VAL 58 N 0.35 1.26 -0.49 1.22 2.07 -1.13 -1.68 116.25 117.84 1wn5 h VAL 58 Ca -0.00 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1wn5 h VAL 58 Cb 1.14 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1wn5 h VAL 58 CO 0.11 0.34 0.23 0.58 0.02 0.00 0.00 177.57 178.85 1wn5 h VAL 59 N 1.15 1.19 -0.72 2.57 2.07 -0.93 -0.61 116.25 120.98 1wn5 h VAL 59 Ca 0.26 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1wn5 h VAL 59 Cb 0.24 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1wn5 h VAL 59 CO -0.02 0.22 0.47 -0.07 0.02 0.00 0.00 177.57 178.19 1wn5 h LEU 60 N 0.65 0.80 -0.46 2.57 4.07 -0.70 0.58 115.31 122.82 1wn5 h LEU 60 Ca 0.17 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.95 1wn5 h LEU 60 Cb 0.13 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1wn5 h LEU 60 CO -0.02 0.57 -0.77 1.23 -1.08 0.00 0.00 178.44 178.38 1wn5 h GLY 61 N 0.94 0.00 1.00 0.83 0.00 -0.94 -1.32 103.07 103.58 1wn5 h GLY 61 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 1wn5 h GLY 61 CO -0.06 0.00 -0.43 -0.84 0.00 0.00 0.00 176.54 175.21 1wn5 h THR 62 N 0.00 1.31 -0.50 4.70 2.02 -0.32 -0.94 112.91 119.18 1wn5 h THR 62 Ca -0.01 -1.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.47 1wn5 h THR 62 Cb 1.36 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1wn5 h THR 62 CO 0.10 0.52 0.08 0.00 0.37 0.00 0.00 175.52 176.59 1wn5 h ALA 63 N 0.63 0.66 -0.82 6.16 0.00 -0.88 -2.74 119.26 122.28 1wn5 h ALA 63 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1wn5 h ALA 63 Cb 1.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1wn5 h ALA 63 CO 0.10 0.39 0.43 0.00 0.00 0.00 0.00 179.25 180.16 1wn5 h ALA 64 N 0.97 1.20 0.00 0.00 0.00 -1.16 -0.99 119.26 119.28 1wn5 h ALA 64 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wn5 h ALA 64 Cb 0.39 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wn5 h ALA 64 CO 0.01 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.81 1wn5 h ALA 65 N 1.31 1.19 -0.69 0.00 0.00 -0.89 -1.73 119.26 118.46 1wn5 h ALA 65 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wn5 h ALA 65 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wn5 h ALA 65 CO -0.04 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1wn5 n ALA 66 N -2.22 2.47 -3.84 0.00 0.00 -0.69 -4.95 120.51 111.29 1wn5 n ALA 66 Ca -0.02 -1.35 -0.28 0.00 0.00 0.00 0.00 53.44 51.80 1wn5 n ALA 66 Cb 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 1.47 -1.46 0.23 0.00 0.00 -0.65 -4.88 120.51 115.21 1wn5 n ALA 67 Ca 0.24 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1wn5 n ALA 67 Cb 0.65 -3.97 0.57 0.00 0.00 0.00 0.00 19.45 16.71 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 0.95 1.24 0.00 0.00 0.00 -1.45 -3.48 119.26 116.52 1wn5 h ALA 68 Ca -0.59 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1wn5 h ALA 68 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wn5 h ALA 68 CO 0.64 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1wn5 n GLY 69 N -0.42 2.08 3.40 0.00 0.00 -1.26 -4.54 105.19 104.44 1wn5 n GLY 69 Ca -0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 4.18 -0.21 1.61 0.01 -1.26 -5.05 114.94 110.23 1wn5 s ASN 70 Ca 0.00 -0.29 -0.11 0.00 -0.71 0.00 0.00 52.86 51.76 1wn5 s ASN 70 Cb 0.00 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 1wn5 s ASN 70 CO 0.00 0.16 0.15 -0.76 -1.51 0.00 0.00 177.10 175.15 1wn5 s LEU 71 N 0.37 4.19 -0.09 0.60 1.43 -1.26 -0.53 118.68 123.39 1wn5 s LEU 71 Ca -0.09 0.23 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 1wn5 s LEU 71 Cb -0.16 -2.12 -0.30 0.00 0.03 0.00 0.00 46.19 43.64 1wn5 s LEU 71 CO 0.05 0.14 0.33 0.35 0.23 0.00 0.00 176.35 177.45 1wn5 n THR 72 N 3.73 0.47 -3.68 5.49 -2.24 -0.01 -4.08 114.28 113.96 1wn5 n THR 72 Ca -0.15 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 60.87 1wn5 n THR 72 Cb 0.52 -0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.67 0.11 0.04 0.00 2.07 -0.32 -1.15 121.20 121.27 1wn5 s ILE 74 Ca -0.08 -0.90 -0.16 0.00 -1.41 0.00 0.00 60.65 58.11 1wn5 s ILE 74 Cb -0.03 -0.91 0.03 0.00 0.13 0.00 0.00 42.46 41.67 1wn5 s ILE 74 CO 0.04 -0.49 0.35 0.54 -1.91 0.00 0.00 174.94 173.47 1wn5 s VAL 75 N -2.58 0.07 -0.03 4.00 0.11 -0.78 -1.50 120.40 119.68 1wn5 s VAL 75 Ca -0.05 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1wn5 s VAL 75 Cb -0.01 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1wn5 s VAL 75 CO -0.04 -0.32 -0.19 0.00 -3.33 0.00 0.00 175.10 171.23 1wn5 s ALA 76 N -2.45 1.62 -0.10 1.54 0.00 -1.26 -1.99 121.76 119.11 1wn5 s ALA 76 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1wn5 s ALA 76 Cb -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1wn5 s ALA 76 CO -0.02 0.33 -0.14 0.42 0.00 0.00 0.00 175.76 176.35 1wn5 s ILE 77 N -0.16 1.40 0.54 0.00 -1.09 0.58 -1.28 121.20 121.18 1wn5 s ILE 77 Ca 0.00 -0.58 -0.15 0.00 -2.23 0.00 0.00 60.65 57.69 1wn5 s ILE 77 Cb -0.10 -1.29 -0.07 0.00 -1.58 0.00 0.00 42.46 39.42 1wn5 s ILE 77 CO 0.01 0.42 0.99 -0.83 -1.23 0.00 0.00 174.94 174.31 1wn5 s GLY 78 N 1.01 1.95 1.00 6.18 0.00 -0.26 -1.30 107.32 115.91 1wn5 s GLY 78 Ca -0.07 0.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.59 1wn5 s GLY 78 CO -0.02 0.38 1.04 1.16 0.00 0.00 0.00 173.10 175.66 1wn5 n ASN 79 N -1.89 -1.22 -3.94 1.64 6.94 0.12 -3.54 115.26 113.38 1wn5 n ASN 79 Ca 0.06 -1.21 -0.29 0.00 -0.02 0.00 0.00 54.58 53.12 1wn5 n ASN 79 Cb 0.54 -0.89 0.01 0.00 -2.36 0.00 0.00 39.78 37.08 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 -4.09 -4.76 -2.86 -3.83 1.02 -1.26 -2.18 120.64 102.68 1wn5 n GLU 80 Ca 0.14 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.63 1wn5 n GLU 80 Cb 0.51 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 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 -2.85 -4.56 0.12 1.62 3.02 -1.26 -4.86 115.26 106.48 1wn5 n ASN 81 Ca -0.05 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.51 1wn5 n ASN 81 Cb 0.56 -3.78 0.42 0.00 -0.61 0.00 0.00 39.78 36.37 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 -0.62 0.00 0.00 3.52 3.08 -1.48 -3.49 114.38 115.39 1wn5 h ARG 82 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1wn5 h ARG 82 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1wn5 h ARG 82 CO 0.48 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 1wn5 n GLY 83 N 0.98 -0.18 3.72 0.04 0.00 -1.25 -4.78 105.19 103.73 1wn5 n GLY 83 Ca 0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 2.18 -0.09 -0.61 1.01 -1.26 -1.10 121.20 121.33 1wn5 s ILE 84 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.82 1wn5 s ILE 84 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1wn5 s ILE 84 CO 0.00 0.01 -0.22 -0.76 0.00 0.00 0.00 174.94 173.97 1wn5 s LEU 85 N 0.93 2.01 0.39 2.97 1.43 -0.40 -4.88 118.68 121.12 1wn5 s LEU 85 Ca 0.72 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 1wn5 s LEU 85 Cb -0.48 -1.30 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1wn5 s LEU 85 CO 0.34 0.14 1.19 -0.44 0.23 0.00 0.00 176.35 177.81 1wn5 s SER 86 N 0.36 6.57 0.32 2.29 0.01 -1.26 -4.19 113.70 117.80 1wn5 s SER 86 Ca -0.17 2.39 -0.29 0.00 1.31 0.00 0.00 55.95 59.19 1wn5 s SER 86 Cb -0.17 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.32 1wn5 s SER 86 CO 0.08 -0.65 1.57 -0.81 0.41 0.00 0.00 173.24 173.85 1wn5 n PRO 87 N 0.20 2.72 -1.04 12.44 -0.04 -1.26 -4.97 135.00 143.05 1wn5 n PRO 87 Ca 0.04 0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 64.17 1wn5 n PRO 87 Cb 0.46 -2.74 0.19 0.00 -0.04 0.00 0.00 33.50 31.37 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 -2.07 1.22 0.95 0.00 0.00 -1.98 -1.66 103.07 99.53 1wn5 h GLY 89 Ca -0.56 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 1wn5 h GLY 89 CO 0.56 0.16 0.15 -0.09 0.00 0.00 0.00 176.54 177.32 1wn5 h ARG 90 N 0.81 0.67 -0.86 4.80 2.43 -2.00 -2.19 114.38 118.04 1wn5 h ARG 90 Ca 0.37 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1wn5 h ARG 90 Cb 0.29 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1wn5 h ARG 90 CO -0.22 0.65 0.54 0.00 -1.51 0.00 0.00 179.97 179.43 1wn5 h ARG 92 N 1.18 1.18 -0.32 0.00 3.08 -1.03 0.12 114.38 118.59 1wn5 h ARG 92 Ca 0.31 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 1wn5 h ARG 92 Cb -0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 1wn5 h ARG 92 CO -0.06 0.78 -0.16 0.37 -1.07 0.00 0.00 179.97 179.83 1wn5 h GLN 93 N 1.21 0.66 -0.39 0.04 5.75 -0.74 -0.52 115.11 121.12 1wn5 h GLN 93 Ca 0.37 -0.29 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1wn5 h GLN 93 Cb -0.03 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1wn5 h GLN 93 CO -0.11 0.88 -0.03 0.28 -2.65 0.00 0.00 178.83 177.21 1wn5 h VAL 94 N 0.43 1.27 -0.48 2.39 2.07 -0.86 -1.55 116.25 119.52 1wn5 h VAL 94 Ca 0.07 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1wn5 h VAL 94 Cb 0.69 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1wn5 h VAL 94 CO 0.05 0.36 0.28 -0.07 0.02 0.00 0.00 177.57 178.20 1wn5 h LEU 95 N 0.53 0.58 -0.64 2.57 3.38 -0.73 0.97 115.31 121.98 1wn5 h LEU 95 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wn5 h LEU 95 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1wn5 h LEU 95 CO 0.03 0.49 0.40 0.25 0.09 0.00 0.00 178.44 179.69 1wn5 h LEU 96 N 0.63 0.76 -0.53 1.67 5.85 -0.97 0.25 115.31 122.98 1wn5 h LEU 96 Ca 0.17 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1wn5 h LEU 96 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1wn5 h LEU 96 CO -0.03 0.59 -0.69 0.44 -0.34 0.00 0.00 178.44 178.40 1wn5 h ASP 97 N 0.87 0.26 0.00 1.25 3.32 -0.92 -3.09 116.42 118.11 1wn5 h ASP 97 Ca 0.23 -0.17 -0.30 0.00 0.02 0.00 0.00 57.03 56.81 1wn5 h ASP 97 Cb -0.04 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 1wn5 h ASP 97 CO -0.05 0.87 -2.26 0.18 -1.72 0.00 0.00 179.24 176.27 1wn5 n LEU 98 N -3.80 0.00 -3.20 1.55 4.77 0.31 -4.71 117.00 111.91 1wn5 n LEU 98 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1wn5 n LEU 98 Cb 0.68 0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 42.12 1wn5 n LEU 98 CO 0.45 0.41 -0.25 1.41 -1.33 0.00 0.00 177.39 178.08 1wn5 n HIS 99 N -2.64 0.13 0.19 -1.77 8.25 0.86 -4.98 115.22 115.27 1wn5 n HIS 99 Ca -0.27 -3.67 0.18 0.00 -0.26 0.00 0.00 57.72 53.70 1wn5 n HIS 99 Cb 1.04 -0.38 0.81 0.00 1.12 0.00 0.00 29.99 32.57 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 3.75 0.00 -0.37 -0.41 0.13 -1.52 -0.95 132.00 132.63 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 -1.38 1.10 3.85 1.56 0.00 -1.26 -4.72 105.19 104.33 1wn5 n GLY 101 Ca 0.03 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.51 4.51 0.11 -0.61 2.07 -0.36 -4.86 121.20 120.55 1wn5 s ILE 102 Ca 0.34 1.09 0.10 0.00 -1.41 0.00 0.00 60.65 60.77 1wn5 s ILE 102 Cb 0.19 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 39.02 1wn5 s ILE 102 CO 0.26 -0.79 -0.24 -0.54 -1.91 0.00 0.00 174.94 171.71 1wn5 s LYS 103 N -4.37 1.57 -0.03 3.50 1.02 -0.55 -2.02 119.74 118.86 1wn5 s LYS 103 Ca 0.58 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 55.38 1wn5 s LYS 103 Cb -0.11 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1wn5 s LYS 103 CO 0.38 0.47 -0.24 0.00 -0.92 0.00 0.00 175.35 175.04 1wn5 s ALA 104 N -1.05 2.00 -0.20 5.17 0.00 0.53 -1.18 121.76 127.03 1wn5 s ALA 104 Ca 0.15 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1wn5 s ALA 104 Cb -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1wn5 s ALA 104 CO 0.07 0.44 0.70 0.42 0.00 0.00 0.00 175.76 177.39 1wn5 s ILE 105 N -0.37 4.96 0.25 0.00 1.01 -0.57 -0.85 121.20 125.65 1wn5 s ILE 105 Ca 0.04 1.34 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1wn5 s ILE 105 Cb -0.11 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1wn5 s ILE 105 CO 0.01 0.07 0.14 0.68 0.00 0.00 0.00 174.94 175.84 1wn5 s VAL 106 N 2.08 0.21 -0.10 2.92 -7.23 -0.53 -4.66 120.40 113.10 1wn5 s VAL 106 Ca 0.32 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 1wn5 s VAL 106 Cb -0.16 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1wn5 s VAL 106 CO 0.11 0.00 0.35 -0.54 -0.31 0.00 0.00 175.10 174.71 1wn5 s LYS 107 N -3.97 4.10 0.19 4.82 1.02 -1.26 -0.38 119.74 124.26 1wn5 s LYS 107 Ca 0.38 0.25 -0.03 0.00 0.02 0.00 0.00 55.97 56.59 1wn5 s LYS 107 Cb 0.06 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1wn5 s LYS 107 CO 0.15 0.40 0.25 -0.40 -0.92 0.00 0.00 175.35 174.84 1wn5 n ASP 108 N 2.93 0.07 0.33 2.83 3.85 -0.24 -4.83 116.55 121.48 1wn5 n ASP 108 Ca -0.12 -1.12 0.21 0.00 -0.71 0.00 0.00 54.79 53.05 1wn5 n ASP 108 Cb 0.52 -0.19 1.14 0.00 -1.35 0.00 0.00 41.12 41.24 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 -0.31 0.00 -0.34 -1.12 4.64 -1.99 -0.59 113.55 113.85 1wn5 h SER 109 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1wn5 h SER 109 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1wn5 h SER 109 CO 0.06 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.50 1wn5 n ASP 110 N -3.18 2.68 -0.11 4.97 8.00 -1.26 -4.90 116.55 122.75 1wn5 n ASP 110 Ca -0.03 -1.90 -0.01 0.00 0.71 0.00 0.00 54.79 53.56 1wn5 n ASP 110 Cb 0.09 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.34 0.49 3.70 0.44 0.00 -0.23 -5.00 105.19 105.93 1wn5 n GLY 111 Ca 0.18 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.05 4.20 0.34 1.61 -1.52 -1.26 -4.74 119.66 117.25 1wn5 s GLN 112 Ca 0.00 0.04 -0.29 0.00 -1.95 0.00 0.00 55.36 53.16 1wn5 s GLN 112 Cb 0.00 -3.47 -0.11 0.00 -0.22 0.00 0.00 33.01 29.21 1wn5 s GLN 112 CO 0.00 0.15 1.45 -1.25 -0.25 0.00 0.00 175.29 175.39 1wn5 s PRO 113 N 0.76 4.18 -0.16 2.91 0.04 -1.26 -1.08 135.00 140.39 1wn5 s PRO 113 Ca 0.15 2.46 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 1wn5 s PRO 113 Cb -0.13 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1wn5 s PRO 113 CO 0.04 -0.45 0.53 -0.08 0.04 0.00 0.00 177.00 177.08 1wn5 s THR 114 N -0.88 0.01 -0.14 1.26 -1.32 0.49 -4.51 115.64 110.55 1wn5 s THR 114 Ca 0.54 -0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.73 1wn5 s THR 114 Cb -0.45 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 1wn5 s THR 114 CO 0.57 -0.03 0.67 0.00 -2.21 0.00 0.00 174.62 173.62 1wn5 s ALA 115 N -0.14 3.45 0.05 11.08 0.00 -1.26 -1.45 121.76 133.50 1wn5 s ALA 115 Ca -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 51.94 1wn5 s ALA 115 Cb -0.03 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1wn5 s ALA 115 CO 0.03 -0.34 -0.20 0.14 0.00 0.00 0.00 175.76 175.38 1wn5 s VAL 116 N 1.40 1.64 0.45 0.00 -7.23 -0.03 -4.89 120.40 111.74 1wn5 s VAL 116 Ca 0.33 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1wn5 s VAL 116 Cb -0.17 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.25 1wn5 s VAL 116 CO 0.14 0.16 1.45 0.61 -0.31 0.00 0.00 175.10 177.15 1wn5 n GLY 117 N 1.76 1.07 0.36 2.32 0.00 -1.26 -0.35 105.19 109.09 1wn5 n GLY 117 Ca -0.17 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1wn5 n GLY 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wn5 h ILE 118 N 2.36 1.00 -0.06 -0.61 6.09 -1.69 -1.16 117.51 123.44 1wn5 h ILE 118 Ca -0.51 -0.31 0.02 0.00 -1.37 0.00 0.00 64.86 62.69 1wn5 h ILE 118 Cb 1.26 0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 1wn5 h ILE 118 CO 0.61 0.16 0.05 0.03 -3.07 0.00 0.00 178.15 175.93 1wn5 h ARG 119 N 0.90 0.00 0.00 2.19 3.08 -1.86 -0.82 114.38 117.87 1wn5 h ARG 119 Ca 0.39 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 1wn5 h ARG 119 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1wn5 h ARG 119 CO -0.16 0.00 -0.22 0.93 -1.07 0.00 0.00 179.97 179.45 1wn5 h GLU 120 N 0.00 0.00 -0.01 0.04 4.39 -1.56 -2.52 114.58 114.92 1wn5 h GLU 120 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1wn5 h GLU 120 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1wn5 h GLU 120 CO -0.00 0.22 -0.20 1.28 -1.16 0.00 0.00 179.01 179.15 1wn5 n LEU 121 N -3.47 0.76 -3.21 1.33 4.77 -0.32 -4.36 117.00 112.50 1wn5 n LEU 121 Ca -0.00 -0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.61 1wn5 n LEU 121 Cb 0.40 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1wn5 n LEU 121 CO 0.33 0.14 -0.28 -0.11 -1.33 0.00 0.00 177.39 176.15 1wn5 n LEU 122 N -0.82 0.39 -4.65 2.23 7.94 -0.95 -5.07 117.00 116.07 1wn5 n LEU 122 Ca 0.13 -4.73 -0.47 0.00 -1.11 0.00 0.00 56.01 49.82 1wn5 n LEU 122 Cb 0.32 0.55 -0.04 0.00 0.53 0.00 0.00 43.42 44.78 1wn5 n LEU 122 CO 0.25 2.07 1.06 -2.65 -1.11 0.00 0.00 177.39 177.01 1wn5 n PRO 123 N 1.40 1.85 -3.99 1.96 -0.02 -1.24 -2.01 135.00 132.95 1wn5 n PRO 123 Ca 0.22 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 62.05 1wn5 n PRO 123 Cb 0.52 -2.36 -0.02 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 2.83 -1.61 -4.52 2.55 3.41 -1.26 -4.90 113.62 110.12 1wn5 n SER 124 Ca 0.16 -1.11 -0.28 0.00 -0.26 0.00 0.00 58.87 57.38 1wn5 n SER 124 Cb 0.27 -2.62 0.23 0.00 -0.26 0.00 0.00 64.21 61.83 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 -4.07 1.54 0.00 5.00 0.00 -0.85 -5.28 107.32 103.66 1wn5 s GLY 125 Ca 0.17 -0.31 0.31 0.00 0.00 0.00 0.00 44.72 44.89 1wn5 s GLY 125 CO 0.92 0.39 2.15 2.98 0.00 0.00 0.00 173.10 179.54