#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnu n SER 3 N 0.00 0.97 -0.31 7.72 2.88 -1.26 -4.84 113.62 118.78 1wnu n SER 3 Ca 0.00 0.72 -0.02 0.00 -1.33 0.00 0.00 58.87 58.25 1wnu n SER 3 Cb 0.00 -1.45 0.15 0.00 -0.75 0.00 0.00 64.21 62.16 1wnu n SER 3 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1wnu h ILE 4 N 0.01 1.24 -0.24 2.46 -0.00 -1.99 -2.01 117.51 116.97 1wnu h ILE 4 Ca -0.48 -0.49 -0.18 0.00 -0.00 0.00 0.00 64.86 63.70 1wnu h ILE 4 Cb 1.34 -0.03 -0.00 0.00 -0.00 0.00 0.00 36.82 38.13 1wnu h ILE 4 CO 0.49 0.24 -0.57 -0.33 -0.00 0.00 0.00 178.15 177.98 1wnu h GLU 5 N 1.21 0.75 -0.22 2.19 5.08 -1.90 0.12 114.58 121.81 1wnu h GLU 5 Ca 0.32 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1wnu h GLU 5 Cb -0.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1wnu h GLU 5 CO -0.06 1.11 0.05 0.28 -1.00 0.00 0.00 179.01 179.39 1wnu h VAL 6 N 0.57 1.12 0.14 3.13 2.07 -1.80 0.86 116.25 122.34 1wnu h VAL 6 Ca 0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1wnu h VAL 6 Cb 1.16 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1wnu h VAL 6 CO 0.12 0.14 -0.07 0.03 0.02 0.00 0.00 177.57 177.81 1wnu h ARG 7 N 0.31 -0.18 -0.88 1.57 3.08 -0.95 -2.46 114.38 114.88 1wnu h ARG 7 Ca 0.08 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1wnu h ARG 7 Cb 0.14 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1wnu h ARG 7 CO -0.00 0.21 0.58 1.15 -1.07 0.00 0.00 179.97 180.84 1wnu h THR 8 N -0.63 1.18 -0.75 2.04 2.02 -0.41 -0.97 112.91 115.39 1wnu h THR 8 Ca -0.02 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1wnu h THR 8 Cb 0.48 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1wnu h THR 8 CO 0.03 0.21 0.30 -0.74 0.37 0.00 0.00 175.52 175.69 1wnu h HIS 9 N 1.14 1.14 -0.52 3.16 -0.00 -0.85 -2.27 115.15 116.96 1wnu h HIS 9 Ca 0.34 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.57 1wnu h HIS 9 Cb -0.04 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.00 1wnu h HIS 9 CO -0.00 0.87 0.10 0.77 -0.00 0.00 0.00 177.93 179.67 1wnu h SER 10 N 1.08 0.75 -0.66 3.26 0.02 -0.82 -2.15 113.55 115.02 1wnu h SER 10 Ca 0.25 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1wnu h SER 10 Cb 0.21 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1wnu h SER 10 CO -0.02 0.75 0.44 0.00 -1.14 0.00 0.00 176.83 176.86 1wnu h ALA 11 N 1.35 1.78 -0.49 3.77 0.00 -0.62 -2.27 119.26 122.78 1wnu h ALA 11 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1wnu h ALA 11 Cb 0.31 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 1wnu h ALA 11 CO 0.00 0.11 -0.18 -0.07 0.00 0.00 0.00 179.25 179.11 1wnu h LEU 12 N 0.65 -0.62 -1.16 0.00 3.38 -1.16 0.87 115.31 117.27 1wnu h LEU 12 Ca 0.29 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 1wnu h LEU 12 Cb 0.30 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1wnu h LEU 12 CO -0.09 -0.21 0.35 0.45 0.09 0.00 0.00 178.44 179.03 1wnu h HIS 13 N -0.06 0.92 -0.07 1.13 3.86 -1.51 0.17 115.15 119.59 1wnu h HIS 13 Ca 0.24 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 1wnu h HIS 13 Cb 0.42 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1wnu h HIS 13 CO -0.46 0.65 -0.15 0.28 0.86 0.00 0.00 177.93 179.11 1wnu h VAL 14 N 0.94 1.41 -0.77 2.45 2.07 -0.81 -2.64 116.25 118.90 1wnu h VAL 14 Ca 0.24 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1wnu h VAL 14 Cb 0.05 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1wnu h VAL 14 CO -0.04 0.41 0.46 0.58 0.02 0.00 0.00 177.57 179.00 1wnu h VAL 15 N -0.26 1.22 -0.60 2.57 2.07 0.89 -2.23 116.25 119.91 1wnu h VAL 15 Ca 0.00 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1wnu h VAL 15 Cb 0.74 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1wnu h VAL 15 CO 0.03 0.23 0.32 0.50 0.02 0.00 0.00 177.57 178.67 1wnu h LYS 16 N 1.05 0.58 -0.66 1.57 1.63 -0.67 -0.17 116.57 119.91 1wnu h LYS 16 Ca 0.28 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1wnu h LYS 16 Cb -0.03 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.43 1wnu h LYS 16 CO -0.05 0.39 0.42 0.78 -3.45 0.00 0.00 179.45 177.54 1wnu h GLY 17 N 0.60 0.93 1.12 5.01 0.00 -1.07 -0.97 103.07 108.70 1wnu h GLY 17 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1wnu h GLY 17 CO -0.18 0.30 0.28 0.00 0.00 0.00 0.00 176.54 176.94 1wnu h ALA 18 N 1.26 1.09 -0.59 3.60 0.00 -0.81 -1.17 119.26 122.64 1wnu h ALA 18 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wnu h ALA 18 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1wnu h ALA 18 CO -0.08 0.64 0.29 0.28 0.00 0.00 0.00 179.25 180.38 1wnu h VAL 19 N 1.08 1.21 -0.13 0.00 2.07 -0.32 -1.29 116.25 118.86 1wnu h VAL 19 Ca 0.25 -0.59 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 1wnu h VAL 19 Cb 0.23 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wnu h VAL 19 CO -0.02 0.24 -0.57 0.58 0.02 0.00 0.00 177.57 177.83 1wnu h VAL 20 N 0.81 1.35 -0.62 2.57 2.07 -0.95 0.84 116.25 122.31 1wnu h VAL 20 Ca 0.20 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 1wnu h VAL 20 Cb 0.12 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1wnu h VAL 20 CO -0.03 0.56 0.19 0.11 0.02 0.00 0.00 177.57 178.43 1wnu h LYS 21 N 0.31 0.97 0.10 1.57 1.79 -0.91 0.80 116.57 121.21 1wnu h LYS 21 Ca 0.00 -0.21 -0.18 0.00 -2.18 0.00 0.00 60.65 58.08 1wnu h LYS 21 Cb 1.09 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 1wnu h LYS 21 CO 0.10 0.86 -0.85 0.28 -1.08 0.00 0.00 179.45 178.76 1wnu h VAL 22 N 0.89 1.40 0.00 0.50 2.07 -1.18 -3.38 116.25 116.55 1wnu h VAL 22 Ca 0.20 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1wnu h VAL 22 Cb 0.30 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1wnu h VAL 22 CO -0.01 0.67 -0.80 0.18 0.02 0.00 0.00 177.57 177.64 1wnu n LEU 23 N -4.18 0.70 0.00 2.57 4.77 0.28 -5.08 117.00 116.06 1wnu n LEU 23 Ca -0.17 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wnu n LEU 23 Cb 0.77 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1wnu n LEU 23 CO 0.42 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1wnu n GLY 24 N 1.32 0.38 0.22 -0.72 0.00 0.28 -4.58 105.19 102.09 1wnu n GLY 24 Ca 0.02 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.15 1wnu n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wnu h SER 25 N 0.00 0.00 1.03 1.61 4.64 -1.94 -2.75 113.55 116.13 1wnu h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wnu h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wnu h SER 25 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 1wnu h GLU 26 N 0.00 0.00 -0.40 4.77 4.39 -1.94 -2.45 114.58 118.95 1wnu h GLU 26 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wnu h GLU 26 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1wnu h GLU 26 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1wnu n ALA 27 N -1.83 3.34 0.68 3.43 0.00 -1.04 -4.57 120.51 120.53 1wnu n ALA 27 Ca 0.03 -2.13 0.13 0.00 0.00 0.00 0.00 53.44 51.47 1wnu n ALA 27 Cb 0.31 -0.88 0.45 0.00 0.00 0.00 0.00 19.45 19.33 1wnu n ALA 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wnu n LYS 28 N -0.01 0.20 -3.63 0.00 2.85 -0.92 -4.69 118.16 111.96 1wnu n LYS 28 Ca 0.24 0.19 -0.37 0.00 -1.05 0.00 0.00 58.31 57.32 1wnu n LYS 28 Cb 1.01 -1.74 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 1wnu n LYS 28 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1wnu s TRP 29 N -3.09 3.28 0.03 5.58 0.52 -1.26 -4.99 118.94 119.01 1wnu s TRP 29 Ca 0.11 0.19 -0.24 0.00 0.02 0.00 0.00 56.10 56.18 1wnu s TRP 29 Cb 0.13 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1wnu s TRP 29 CO 0.56 -0.02 0.73 0.99 0.02 0.00 0.00 176.95 179.24 1wnu s THR 30 N 1.33 4.77 -0.21 2.01 2.01 -1.26 -0.48 115.64 123.80 1wnu s THR 30 Ca 0.07 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 63.58 1wnu s THR 30 Cb -0.14 -4.08 -0.20 0.00 0.01 0.00 0.00 72.50 68.09 1wnu s THR 30 CO 0.07 0.37 -0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1wnu n TYR 31 N 2.80 0.53 -3.66 4.92 4.19 0.71 -1.12 117.16 125.52 1wnu n TYR 31 Ca -0.03 0.13 -0.05 0.00 3.31 0.00 0.00 57.90 61.27 1wnu n TYR 31 Cb 0.50 -1.07 -0.01 0.00 0.49 0.00 0.00 39.34 39.25 1wnu n TYR 31 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1wnu s SER 32 N -6.86 -0.22 -0.01 2.98 1.04 -1.10 -4.83 113.70 104.70 1wnu s SER 32 Ca -0.31 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1wnu s SER 32 Cb 0.09 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wnu s SER 32 CO 0.64 -0.75 0.06 -0.89 0.98 0.00 0.00 173.24 173.28 1wnu s THR 33 N -3.14 0.04 -0.01 2.02 2.01 -1.26 -1.58 115.64 113.71 1wnu s THR 33 Ca 0.10 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1wnu s THR 33 Cb -0.01 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1wnu s THR 33 CO -0.02 -0.18 0.03 -0.31 -0.69 0.00 0.00 174.62 173.45 1wnu s TYR 34 N -0.56 -0.03 -0.03 4.92 1.51 -0.72 -5.00 117.35 117.44 1wnu s TYR 34 Ca -0.06 0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1wnu s TYR 34 Cb -0.04 -0.02 0.03 0.00 -0.11 0.00 0.00 41.96 41.82 1wnu s TYR 34 CO 0.00 -0.03 0.02 0.08 -1.11 0.00 0.00 175.55 174.51 1wnu s VAL 35 N 0.18 0.06 -0.23 0.71 1.01 -1.26 -0.65 120.40 120.21 1wnu s VAL 35 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1wnu s VAL 35 Cb -0.02 -0.21 0.08 0.00 0.00 0.00 0.00 36.38 36.23 1wnu s VAL 35 CO -0.01 0.14 0.12 -0.75 0.00 0.00 0.00 175.10 174.61 1wnu s LYS 36 N 1.33 0.13 7.92 2.72 2.47 -0.51 -5.03 119.74 128.77 1wnu s LYS 36 Ca -0.06 -0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1wnu s LYS 36 Cb -0.13 -1.46 0.00 0.00 -1.46 0.00 0.00 37.83 34.78 1wnu s LYS 36 CO -0.03 -0.84 0.00 0.41 0.16 0.00 0.00 175.35 175.05 1wnu n GLY 37 N 5.27 3.53 0.88 5.54 0.00 -1.26 -1.65 105.19 117.50 1wnu n GLY 37 Ca -0.06 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1wnu n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wnu n ASN 38 N 8.62 2.67 -4.85 1.61 6.94 -1.26 -3.90 115.26 125.10 1wnu n ASN 38 Ca 0.00 -1.87 -0.34 0.00 -0.02 0.00 0.00 54.58 52.35 1wnu n ASN 38 Cb 0.00 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 1wnu n ASN 38 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1wnu s LYS 39 N -1.71 3.30 0.00 -3.83 -0.14 -0.66 -1.01 119.74 115.69 1wnu s LYS 39 Ca 0.35 -0.32 -0.01 0.00 -1.36 0.00 0.00 55.97 54.63 1wnu s LYS 39 Cb 0.20 -3.04 -0.00 0.00 -1.68 0.00 0.00 37.83 33.31 1wnu s LYS 39 CO 0.30 0.70 0.02 0.20 -0.76 0.00 0.00 175.35 175.81 1wnu s GLY 40 N -1.55 0.07 -0.14 -3.33 0.00 0.39 -1.42 107.32 101.34 1wnu s GLY 40 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1wnu s GLY 40 CO 0.12 -0.19 -0.06 0.14 0.00 0.00 0.00 173.10 173.10 1wnu s VAL 41 N -0.58 1.04 -0.26 1.40 1.01 0.17 -1.42 120.40 121.76 1wnu s VAL 41 Ca -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1wnu s VAL 41 Cb -0.04 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1wnu s VAL 41 CO -0.00 0.26 0.00 -0.22 0.00 0.00 0.00 175.10 175.14 1wnu s LEU 42 N 1.69 3.40 -0.24 3.92 2.96 -0.74 -1.76 118.68 127.91 1wnu s LEU 42 Ca 0.03 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 1wnu s LEU 42 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1wnu s LEU 42 CO -0.08 -0.13 0.04 -0.63 -1.32 0.00 0.00 176.35 174.23 1wnu s ILE 43 N 1.43 4.05 0.22 6.68 1.01 -0.62 -0.53 121.20 133.44 1wnu s ILE 43 Ca 0.02 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.52 1wnu s ILE 43 Cb -0.16 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1wnu s ILE 43 CO -0.01 0.37 -0.16 0.54 0.00 0.00 0.00 174.94 175.67 1wnu s VAL 44 N 1.52 2.75 -0.06 2.92 0.11 0.57 -0.21 120.40 127.99 1wnu s VAL 44 Ca 0.06 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.81 1wnu s VAL 44 Cb -0.15 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1wnu s VAL 44 CO 0.02 -0.21 1.08 -0.75 -3.33 0.00 0.00 175.10 171.91 1wnu s LYS 45 N -3.03 4.42 0.28 1.54 2.20 0.37 0.62 119.74 126.15 1wnu s LYS 45 Ca 0.25 1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 57.26 1wnu s LYS 45 Cb -0.07 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1wnu s LYS 45 CO 0.14 -0.32 0.52 0.12 -0.36 0.00 0.00 175.35 175.45 1wnu s PHE 46 N 1.87 0.44 -0.38 4.03 5.99 -0.07 -4.23 117.98 125.63 1wnu s PHE 46 Ca 0.52 -0.81 0.05 0.00 0.00 0.00 0.00 56.93 56.69 1wnu s PHE 46 Cb -0.21 0.23 -0.02 0.00 0.00 0.00 0.00 43.02 43.02 1wnu s PHE 46 CO 0.21 -1.09 0.37 -0.40 -0.00 0.00 0.00 175.22 174.31 1wnu n ASP 47 N -0.67 0.66 -3.91 6.13 5.68 -1.26 -3.97 116.55 119.20 1wnu n ASP 47 Ca -0.02 -0.83 -0.10 0.00 -0.50 0.00 0.00 54.79 53.34 1wnu n ASP 47 Cb 0.61 0.64 -0.06 0.00 -1.14 0.00 0.00 41.12 41.18 1wnu n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wnu s ARG 48 N -1.08 1.56 -0.43 0.11 1.70 -1.26 -5.06 118.95 114.48 1wnu s ARG 48 Ca 0.03 -1.37 -0.22 0.00 -0.47 0.00 0.00 55.73 53.70 1wnu s ARG 48 Cb 0.04 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1wnu s ARG 48 CO 0.15 -0.63 0.72 0.21 -1.08 0.00 0.00 175.30 174.66 1wnu s LYS 49 N -3.88 3.41 0.65 3.89 2.47 -1.26 -4.96 119.74 120.05 1wnu s LYS 49 Ca 0.26 -0.16 -0.17 0.00 -1.56 0.00 0.00 55.97 54.34 1wnu s LYS 49 Cb 0.00 -3.92 -0.06 0.00 -1.46 0.00 0.00 37.83 32.39 1wnu s LYS 49 CO 0.11 -1.03 0.54 -2.30 0.16 0.00 0.00 175.35 172.83 1wnu n PRO 50 N 6.48 0.43 -1.84 4.03 -0.02 -1.26 -4.96 135.00 137.87 1wnu n PRO 50 Ca 0.01 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1wnu n PRO 50 Cb 0.48 -1.78 0.04 0.00 -0.02 0.00 0.00 33.50 32.22 1wnu n PRO 50 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1wnu s SER 51 N -1.31 5.49 0.48 2.55 1.04 -1.26 -4.87 113.70 115.81 1wnu s SER 51 Ca 0.68 1.21 0.15 0.00 0.48 0.00 0.00 55.95 58.46 1wnu s SER 51 Cb -0.40 -2.04 1.14 0.00 0.10 0.00 0.00 66.02 64.82 1wnu s SER 51 CO 0.56 -1.32 2.08 0.44 0.98 0.00 0.00 173.24 175.97 1wnu h ASP 52 N -0.64 0.18 0.10 7.02 3.45 -2.00 -1.34 116.42 123.19 1wnu h ASP 52 Ca -0.45 -0.00 -0.19 0.00 0.43 0.00 0.00 57.03 56.81 1wnu h ASP 52 Cb 1.24 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1wnu h ASP 52 CO 0.63 0.12 -0.73 -0.33 -1.57 0.00 0.00 179.24 177.36 1wnu h GLU 53 N 0.21 0.55 -0.29 3.56 4.39 -1.99 -2.37 114.58 118.63 1wnu h GLU 53 Ca 0.12 -0.44 -0.13 0.00 0.34 0.00 0.00 59.36 59.25 1wnu h GLU 53 Cb 0.22 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1wnu h GLU 53 CO -0.02 1.06 -0.36 0.93 -1.16 0.00 0.00 179.01 179.46 1wnu h GLU 54 N 0.38 0.64 -0.56 2.33 5.08 -1.73 -1.52 114.58 119.20 1wnu h GLU 54 Ca -0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1wnu h GLU 54 Cb 1.32 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1wnu h GLU 54 CO 0.13 0.90 0.31 0.82 -1.00 0.00 0.00 179.01 180.18 1wnu h ILE 55 N 0.54 1.18 -1.00 3.13 1.08 -1.20 -0.39 117.51 120.86 1wnu h ILE 55 Ca 0.05 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1wnu h ILE 55 Cb 0.86 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1wnu h ILE 55 CO 0.07 0.20 0.66 0.03 -0.69 0.00 0.00 178.15 178.42 1wnu h ARG 56 N 0.75 1.27 -0.35 2.37 3.08 -1.08 -1.26 114.38 119.17 1wnu h ARG 56 Ca 0.20 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1wnu h ARG 56 Cb 0.04 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1wnu h ARG 56 CO -0.03 0.84 -0.16 0.93 -1.07 0.00 0.00 179.97 180.47 1wnu h GLU 57 N 1.31 0.72 -0.48 0.04 4.39 -0.68 0.48 114.58 120.36 1wnu h GLU 57 Ca 0.38 -0.31 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1wnu h GLU 57 Cb -0.08 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1wnu h GLU 57 CO -0.10 0.92 0.17 0.82 -1.16 0.00 0.00 179.01 179.66 1wnu h ILE 58 N 0.50 0.85 0.76 3.13 2.04 -0.61 0.17 117.51 124.34 1wnu h ILE 58 Ca 0.08 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1wnu h ILE 58 Cb 0.70 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1wnu h ILE 58 CO 0.05 0.06 -0.36 -0.08 0.00 0.00 0.00 178.15 177.82 1wnu h GLU 59 N 0.35 -0.98 -0.04 2.37 4.81 -1.05 -0.17 114.58 119.88 1wnu h GLU 59 Ca 0.23 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1wnu h GLU 59 Cb 0.23 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1wnu h GLU 59 CO -0.23 -0.65 -0.41 -0.09 -0.73 0.00 0.00 179.01 176.90 1wnu h ARG 60 N -1.04 -0.47 -0.91 1.92 2.43 -0.52 -0.06 114.38 115.73 1wnu h ARG 60 Ca -0.10 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.32 1wnu h ARG 60 Cb 0.78 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.31 1wnu h ARG 60 CO 0.17 -0.31 0.43 1.25 -1.51 0.00 0.00 179.97 180.00 1wnu h LEU 61 N -0.49 0.39 -0.65 3.80 5.85 -0.69 0.16 115.31 123.69 1wnu h LEU 61 Ca 0.01 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1wnu h LEU 61 Cb 0.54 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1wnu h LEU 61 CO -0.29 0.02 -0.00 0.00 -0.34 0.00 0.00 178.44 177.82 1wnu h ALA 62 N 1.71 0.86 0.00 1.25 0.00 -0.09 -2.08 119.26 120.91 1wnu h ALA 62 Ca 0.57 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1wnu h ALA 62 Cb 1.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1wnu h ALA 62 CO -0.52 0.67 -0.64 -0.91 0.00 0.00 0.00 179.25 177.85 1wnu h ASN 63 N 0.96 0.00 0.20 0.00 2.35 0.88 -2.91 115.58 117.06 1wnu h ASN 63 Ca 0.17 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1wnu h ASN 63 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1wnu h ASN 63 CO 0.03 0.64 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.60 1wnu h GLU 64 N 0.00 0.36 0.00 0.81 4.39 -0.56 -2.10 114.58 117.48 1wnu h GLU 64 Ca -0.01 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 1wnu h GLU 64 Cb 1.25 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1wnu h GLU 64 CO 0.08 0.79 -0.30 -0.22 -1.16 0.00 0.00 179.01 178.21 1wnu h LYS 65 N 0.28 0.00 -0.16 2.33 1.63 -1.29 -1.86 116.57 117.51 1wnu h LYS 65 Ca 0.01 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 1wnu h LYS 65 Cb 1.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1wnu h LYS 65 CO 0.09 0.30 -0.14 0.28 -3.45 0.00 0.00 179.45 176.53 1wnu h VAL 66 N 0.00 1.34 0.00 2.00 2.07 -1.21 -3.17 116.25 117.27 1wnu h VAL 66 Ca -0.00 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1wnu h VAL 66 Cb 0.70 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1wnu h VAL 66 CO 0.04 0.38 -0.27 0.11 0.02 0.00 0.00 177.57 177.85 1wnu h LYS 67 N 0.01 0.00 0.00 1.57 1.57 -1.14 -2.19 116.57 116.40 1wnu h LYS 67 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wnu h LYS 67 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1wnu h LYS 67 CO 0.03 0.27 0.00 -1.91 -0.57 0.00 0.00 179.45 177.27 1wnu n GLU 68 N -3.63 0.15 -3.96 3.15 2.13 -0.72 -4.89 120.64 112.87 1wnu n GLU 68 Ca -0.01 0.38 -0.30 0.00 0.66 0.00 0.00 57.16 57.89 1wnu n GLU 68 Cb 0.40 -1.79 -0.01 0.00 0.27 0.00 0.00 31.44 30.30 1wnu n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wnu n ASN 69 N -2.08 -1.65 -4.79 4.31 4.05 -0.87 -4.92 115.26 109.32 1wnu n ASN 69 Ca 0.02 -1.09 -0.35 0.00 0.45 0.00 0.00 54.58 53.61 1wnu n ASN 69 Cb 0.22 -2.74 -0.04 0.00 1.23 0.00 0.00 39.78 38.45 1wnu n ASN 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wnu s ALA 70 N -3.87 2.99 0.31 5.20 0.00 -1.26 -4.58 121.76 120.56 1wnu s ALA 70 Ca 0.16 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 1wnu s ALA 70 Cb -0.07 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1wnu s ALA 70 CO 0.91 -0.27 0.95 -1.25 0.00 0.00 0.00 175.76 176.10 1wnu s PRO 71 N -2.81 4.62 -0.90 0.00 0.04 -1.26 0.65 135.00 135.34 1wnu s PRO 71 Ca 0.62 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1wnu s PRO 71 Cb -0.20 -2.89 0.23 0.00 0.04 0.00 0.00 34.50 31.69 1wnu s PRO 71 CO 0.25 0.31 0.84 0.42 0.04 0.00 0.00 177.00 178.85 1wnu s ILE 72 N -1.53 5.53 0.45 0.56 1.01 -0.73 -4.62 121.20 121.88 1wnu s ILE 72 Ca 0.49 -2.84 -0.23 0.00 0.00 0.00 0.00 60.65 58.07 1wnu s ILE 72 Cb -0.20 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.79 1wnu s ILE 72 CO 0.26 -1.06 1.14 -0.54 0.00 0.00 0.00 174.94 174.73 1wnu s LYS 73 N -0.32 3.81 -0.41 2.79 1.02 -0.43 -4.83 119.74 121.38 1wnu s LYS 73 Ca 0.22 1.71 0.02 0.00 0.02 0.00 0.00 55.97 57.94 1wnu s LYS 73 Cb -0.11 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.92 1wnu s LYS 73 CO -0.08 -0.49 0.19 0.42 -0.92 0.00 0.00 175.35 174.46 1wnu s ILE 74 N -1.58 1.49 0.30 2.17 1.01 -1.26 -0.36 121.20 122.97 1wnu s ILE 74 Ca 0.63 -2.33 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 1wnu s ILE 74 Cb -0.27 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1wnu s ILE 74 CO 0.33 -0.80 0.79 -0.31 0.00 0.00 0.00 174.94 174.94 1wnu s TYR 75 N 0.65 3.51 -0.30 3.97 1.51 -0.62 -4.90 117.35 121.16 1wnu s TYR 75 Ca 0.15 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 1wnu s TYR 75 Cb -0.22 -2.66 0.09 0.00 -0.11 0.00 0.00 41.96 39.06 1wnu s TYR 75 CO -0.07 0.17 0.07 -2.00 -1.11 0.00 0.00 175.55 172.62 1wnu s GLU 76 N -2.51 0.96 0.29 -0.62 2.12 -1.26 -0.79 118.70 116.89 1wnu s GLU 76 Ca 0.51 -1.22 0.04 0.00 0.36 0.00 0.00 54.97 54.65 1wnu s GLU 76 Cb -0.14 -2.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.87 1wnu s GLU 76 CO 0.19 -0.93 0.03 -0.48 -0.54 0.00 0.00 175.26 173.54 1wnu s LEU 77 N 1.44 2.16 0.92 2.70 0.05 -0.56 -4.97 118.68 120.43 1wnu s LEU 77 Ca 0.08 -1.32 -0.10 0.00 0.05 0.00 0.00 54.13 52.84 1wnu s LEU 77 Cb -0.18 -0.34 0.15 0.00 -2.05 0.00 0.00 46.19 43.77 1wnu s LEU 77 CO -0.19 -0.57 1.15 -2.84 -0.55 0.00 0.00 176.35 173.35 1wnu s PRO 78 N -3.88 0.96 0.31 1.48 0.02 -1.26 -0.30 135.00 132.32 1wnu s PRO 78 Ca 0.34 1.56 0.06 0.00 0.02 0.00 0.00 61.00 62.98 1wnu s PRO 78 Cb 0.07 -1.72 0.50 0.00 0.02 0.00 0.00 34.50 33.38 1wnu s PRO 78 CO 0.13 -2.68 1.75 -0.09 -0.33 0.00 0.00 177.00 175.78 1wnu h ARG 79 N -1.91 0.31 0.00 5.54 2.43 -1.80 -0.95 114.38 118.00 1wnu h ARG 79 Ca -0.43 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.52 1wnu h ARG 79 Cb 1.27 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1wnu h ARG 79 CO 0.41 0.59 -0.45 1.05 -1.51 0.00 0.00 179.97 180.07 1wnu h GLU 80 N 0.27 0.00 0.13 0.20 -0.00 -1.90 0.66 114.58 113.95 1wnu h GLU 80 Ca 0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.08 1wnu h GLU 80 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1wnu h GLU 80 CO 0.05 0.45 -1.59 0.93 -0.00 0.00 0.00 179.01 178.85 1wnu h GLU 81 N 0.00 0.28 -0.20 1.06 4.39 -1.81 -3.19 114.58 115.11 1wnu h GLU 81 Ca -0.00 -0.49 -0.17 0.00 0.34 0.00 0.00 59.36 59.04 1wnu h GLU 81 Cb 0.96 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1wnu h GLU 81 CO 0.06 1.16 -0.57 0.00 -1.16 0.00 0.00 179.01 178.49 1wnu h ALA 82 N 0.40 0.62 -0.30 3.43 0.00 -1.13 -3.19 119.26 119.10 1wnu h ALA 82 Ca -0.27 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.18 1wnu h ALA 82 Cb 2.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1wnu h ALA 82 CO 0.17 0.69 -0.20 1.49 0.00 0.00 0.00 179.25 181.40 1wnu h GLU 83 N 0.48 -0.17 -1.18 0.00 4.57 -0.95 0.38 114.58 117.71 1wnu h GLU 83 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1wnu h GLU 83 Cb 1.14 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1wnu h GLU 83 CO 0.11 -0.11 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 1wnu n LYS 84 N -5.36 0.98 0.01 1.92 4.76 -1.21 -0.73 118.16 118.53 1wnu n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wnu n LYS 84 Cb 0.27 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1wnu n LYS 84 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1wnu n PHE 86 N 0.68 0.00 -2.87 2.13 3.72 0.12 -5.07 117.46 116.17 1wnu n PHE 86 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1wnu n PHE 86 Cb 0.49 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1wnu n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wnu n GLY 87 N -0.26 -1.70 0.32 1.37 0.00 0.09 -4.04 105.19 100.97 1wnu n GLY 87 Ca 0.00 -1.23 0.21 0.00 0.00 0.00 0.00 46.02 45.00 1wnu n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wnu h GLU 88 N 0.00 0.00 -2.84 1.61 5.08 -1.93 -3.42 114.58 113.08 1wnu h GLU 88 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wnu h GLU 88 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1wnu h GLU 88 CO 0.00 0.01 0.40 -0.25 -1.00 0.00 0.00 179.01 178.17 1wnu n ASP 89 N -3.22 0.00 -0.04 1.42 9.92 -1.26 -4.75 116.55 118.62 1wnu n ASP 89 Ca -0.03 -1.36 0.00 0.00 -0.53 0.00 0.00 54.79 52.88 1wnu n ASP 89 Cb 0.10 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1wnu n ASP 89 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wnu n TYR 91 N 2.78 0.00 -4.42 1.24 0.53 -1.26 -4.73 117.16 111.29 1wnu n TYR 91 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.66 1wnu n TYR 91 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.27 1wnu n TYR 91 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1wnu n ASP 92 N -1.20 2.88 -0.27 7.72 10.43 -1.26 -4.72 116.55 130.13 1wnu n ASP 92 Ca 0.00 -2.52 -0.03 0.00 2.57 0.00 0.00 54.79 54.81 1wnu n ASP 92 Cb 0.14 0.21 0.08 0.00 1.84 0.00 0.00 41.12 43.39 1wnu n ASP 92 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1wnu h LEU 93 N 0.00 0.82 -8.64 0.64 3.38 -1.44 -3.38 115.31 106.70 1wnu h LEU 93 Ca -0.29 -0.01 -0.68 0.00 0.09 0.00 0.00 57.88 57.00 1wnu h LEU 93 Cb 0.89 -0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.24 1wnu h LEU 93 CO 0.47 0.58 -0.51 -0.36 0.09 0.00 0.00 178.44 178.71 1wnu s PHE 94 N -6.12 3.21 0.45 1.13 2.99 -1.26 -5.05 117.98 113.33 1wnu s PHE 94 Ca -0.13 -0.39 -0.23 0.00 0.00 0.00 0.00 56.93 56.18 1wnu s PHE 94 Cb 0.16 -2.42 -0.10 0.00 0.00 0.00 0.00 43.02 40.66 1wnu s PHE 94 CO 0.78 -0.41 0.96 -2.30 -0.00 0.00 0.00 175.22 174.25 1wnu n PRO 95 N 5.05 1.21 -2.52 0.24 -0.02 -1.26 -4.96 135.00 132.74 1wnu n PRO 95 Ca -0.13 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1wnu n PRO 95 Cb 0.49 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1wnu n PRO 95 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wnu s VAL 96 N -1.34 4.37 0.47 -1.45 0.11 -1.26 -4.94 120.40 116.36 1wnu s VAL 96 Ca 0.65 1.69 -0.16 0.00 -2.93 0.00 0.00 61.98 61.23 1wnu s VAL 96 Cb -0.53 -4.09 -0.13 0.00 -1.53 0.00 0.00 36.38 30.10 1wnu s VAL 96 CO 0.55 0.02 -0.14 -2.65 -3.33 0.00 0.00 175.10 169.55 1wnu n PRO 97 N 4.93 0.00 -0.00 1.54 -0.02 -1.26 -4.84 135.00 135.34 1wnu n PRO 97 Ca 0.10 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1wnu n PRO 97 Cb 0.47 -0.90 0.76 0.00 -0.02 0.00 0.00 33.50 33.82 1wnu n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wnu n GLU 98 N 1.40 1.06 0.08 -0.52 -0.58 -1.26 -3.09 120.64 117.72 1wnu n GLU 98 Ca 0.07 -0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.85 1wnu n GLU 98 Cb 0.43 -1.42 0.42 0.00 -0.57 0.00 0.00 31.44 30.30 1wnu n GLU 98 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wnu n ASP 99 N -0.82 0.66 -4.45 1.62 8.00 -1.26 -4.61 116.55 115.70 1wnu n ASP 99 Ca 0.20 0.51 -0.44 0.00 0.71 0.00 0.00 54.79 55.77 1wnu n ASP 99 Cb 0.11 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.49 1wnu n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wnu s VAL 100 N -3.09 5.05 -2.36 2.53 1.01 -1.18 -4.92 120.40 117.44 1wnu s VAL 100 Ca 0.11 -0.55 0.26 0.00 0.00 0.00 0.00 61.98 61.81 1wnu s VAL 100 Cb 0.14 -4.15 0.37 0.00 0.00 0.00 0.00 36.38 32.74 1wnu s VAL 100 CO 0.60 -0.59 1.56 0.54 0.00 0.00 0.00 175.10 177.21 1wnu n ARG 101 N 5.71 1.53 -3.98 2.72 5.12 -1.26 -4.83 116.66 121.67 1wnu n ARG 101 Ca -0.08 -1.01 -0.23 0.00 -1.93 0.00 0.00 57.85 54.60 1wnu n ARG 101 Cb 0.46 -1.48 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 1wnu n ARG 101 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1wnu s ILE 102 N -2.17 0.59 0.07 0.55 -1.16 -1.26 -2.31 121.20 115.52 1wnu s ILE 102 Ca 0.31 -0.07 0.05 0.00 -0.51 0.00 0.00 60.65 60.42 1wnu s ILE 102 Cb 0.20 -0.66 -0.04 0.00 0.61 0.00 0.00 42.46 42.57 1wnu s ILE 102 CO 0.40 0.27 -0.02 -0.76 -2.81 0.00 0.00 174.94 172.02 1wnu s LEU 103 N 1.48 3.40 -0.39 8.50 1.02 0.59 -4.87 118.68 128.40 1wnu s LEU 103 Ca -0.02 -0.18 -0.04 0.00 0.02 0.00 0.00 54.13 53.91 1wnu s LEU 103 Cb -0.13 -2.10 0.09 0.00 0.02 0.00 0.00 46.19 44.06 1wnu s LEU 103 CO -0.03 0.20 0.18 -0.75 0.02 0.00 0.00 176.35 175.96 1wnu s LYS 104 N -2.14 2.24 -0.21 1.70 2.20 -1.26 -1.50 119.74 120.77 1wnu s LYS 104 Ca 0.24 -1.62 -0.08 0.00 -0.36 0.00 0.00 55.97 54.15 1wnu s LYS 104 Cb -0.12 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1wnu s LYS 104 CO 0.16 -0.95 0.09 0.54 -0.36 0.00 0.00 175.35 174.83 1wnu s VAL 105 N 1.23 4.82 -0.08 4.02 0.11 0.03 -0.46 120.40 130.07 1wnu s VAL 105 Ca 0.04 -0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.86 1wnu s VAL 105 Cb -0.22 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1wnu s VAL 105 CO -0.02 0.40 0.61 -0.69 -3.33 0.00 0.00 175.10 172.08 1wnu s VAL 106 N 0.82 5.08 -0.03 2.04 1.01 0.91 -1.60 120.40 128.63 1wnu s VAL 106 Ca 0.05 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1wnu s VAL 106 Cb -0.13 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1wnu s VAL 106 CO 0.02 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.64 1wnu s VAL 107 N 0.63 0.80 -0.45 2.92 1.01 0.51 -0.99 120.40 124.84 1wnu s VAL 107 Ca 0.33 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1wnu s VAL 107 Cb -0.17 -0.73 0.13 0.00 0.00 0.00 0.00 36.38 35.61 1wnu s VAL 107 CO 0.15 0.26 0.22 -0.63 0.00 0.00 0.00 175.10 175.10 1wnu s ILE 108 N 0.32 1.81 -0.08 2.22 1.01 -0.22 -1.31 121.20 124.95 1wnu s ILE 108 Ca -0.05 -2.71 -0.16 0.00 0.00 0.00 0.00 60.65 57.72 1wnu s ILE 108 Cb -0.10 -2.28 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1wnu s ILE 108 CO 0.01 -0.83 0.49 -0.62 0.00 0.00 0.00 174.94 173.99 1wnu n GLU 109 N 3.54 0.00 -2.80 2.79 -0.58 -1.26 -0.45 120.64 121.88 1wnu n GLU 109 Ca 0.06 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.62 1wnu n GLU 109 Cb 0.35 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 1wnu n GLU 109 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wnu n ASP 110 N 0.96 -4.68 0.03 1.62 -0.08 -1.26 -4.74 116.55 108.38 1wnu n ASP 110 Ca 0.09 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1wnu n ASP 110 Cb 0.01 -3.89 0.00 0.00 2.34 0.00 0.00 41.12 39.58 1wnu n ASP 110 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1wnu n TRP 111 N -3.88 -0.76 -3.64 -0.67 -0.00 0.40 -5.13 117.44 103.77 1wnu n TRP 111 Ca -0.12 0.10 -0.09 0.00 -0.00 0.00 0.00 57.50 57.39 1wnu n TRP 111 Cb 0.61 0.59 -0.07 0.00 -0.00 0.00 0.00 31.31 32.44 1wnu n TRP 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1wnu s ASN 112 N -4.58 -0.54 -0.07 5.87 3.84 -0.98 -4.19 114.94 114.29 1wnu s ASN 112 Ca 0.00 1.00 0.01 0.00 0.21 0.00 0.00 52.86 54.08 1wnu s ASN 112 Cb 0.00 1.06 0.02 0.00 -0.55 0.00 0.00 41.25 41.78 1wnu s ASN 112 CO 0.00 -0.17 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.38 1wnu s VAL 113 N 0.49 0.82 -0.15 -5.21 1.01 -1.26 -1.05 120.40 115.05 1wnu s VAL 113 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1wnu s VAL 113 Cb -0.05 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1wnu s VAL 113 CO -0.07 0.31 0.37 0.21 0.00 0.00 0.00 175.10 175.92 1wnu s ASN 114 N 1.20 -0.45 -0.36 3.32 3.84 -0.16 -4.52 114.94 117.80 1wnu s ASN 114 Ca -0.06 0.80 -0.28 0.00 0.21 0.00 0.00 52.86 53.54 1wnu s ASN 114 Cb -0.14 0.70 -0.02 0.00 -0.55 0.00 0.00 41.25 41.24 1wnu s ASN 114 CO -0.02 -0.18 1.85 0.00 -2.79 0.00 0.00 177.10 175.96 1wnu s ALA 115 N 1.24 2.73 -0.03 1.71 0.00 -1.26 -0.06 121.76 126.09 1wnu s ALA 115 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1wnu s ALA 115 Cb -0.08 -4.06 0.02 0.00 0.00 0.00 0.00 23.12 19.00 1wnu s ALA 115 CO -0.10 -2.86 0.06 0.00 0.00 0.00 0.00 175.76 172.86 1wnu n ASN 117 N 3.75 2.61 -4.90 0.00 0.23 -1.26 -4.54 115.26 111.15 1wnu n ASN 117 Ca -0.21 -1.79 -0.29 0.00 -0.53 0.00 0.00 54.58 51.75 1wnu n ASN 117 Cb 0.54 -0.02 0.07 0.00 -2.08 0.00 0.00 39.78 38.30 1wnu n ASN 117 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1wnu s LYS 118 N -1.55 2.33 0.06 -3.83 1.02 -1.26 -5.03 119.74 111.47 1wnu s LYS 118 Ca 0.23 0.20 -0.28 0.00 0.02 0.00 0.00 55.97 56.14 1wnu s LYS 118 Cb 0.16 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1wnu s LYS 118 CO 0.24 -1.34 0.89 -1.21 -0.92 0.00 0.00 175.35 173.00 1wnu s GLU 119 N -5.46 4.59 0.25 1.68 2.02 -1.26 -5.06 118.70 115.47 1wnu s GLU 119 Ca 0.60 1.29 0.11 0.00 0.02 0.00 0.00 54.97 57.00 1wnu s GLU 119 Cb -0.11 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1wnu s GLU 119 CO 0.49 0.17 -0.20 -1.01 0.02 0.00 0.00 175.26 174.74 1wnu s HIS 120 N 0.24 2.21 0.61 1.61 3.76 -1.26 -4.79 115.29 117.67 1wnu s HIS 120 Ca 0.45 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.85 1wnu s HIS 120 Cb -0.22 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.45 1wnu s HIS 120 CO 0.27 0.63 1.05 0.95 -0.85 0.00 0.00 174.74 176.79 1wnu s THR 121 N -2.39 3.91 0.10 1.30 -4.23 -1.26 -4.95 115.64 108.11 1wnu s THR 121 Ca 0.27 0.83 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 1wnu s THR 121 Cb -0.05 -3.41 0.25 0.00 1.34 0.00 0.00 72.50 70.63 1wnu s THR 121 CO 0.13 -0.60 1.82 0.50 -0.54 0.00 0.00 174.62 175.93 1wnu h LYS 122 N 0.19 0.00 -3.41 3.99 3.11 -1.97 -3.41 116.57 115.07 1wnu h LYS 122 Ca -0.46 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.28 1wnu h LYS 122 Cb 1.22 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.28 1wnu h LYS 122 CO 0.58 0.20 -0.31 0.95 -2.81 0.00 0.00 179.45 178.05 1wnu s THR 123 N -3.61 0.09 0.34 1.00 -4.23 -1.26 -1.77 115.64 106.19 1wnu s THR 123 Ca 0.01 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 1wnu s THR 123 Cb 0.10 -0.93 0.28 0.00 1.34 0.00 0.00 72.50 73.29 1wnu s THR 123 CO 0.63 -0.43 1.96 0.71 -0.54 0.00 0.00 174.62 176.95 1wnu h THR 124 N 3.31 1.09 -0.21 3.99 1.35 -0.03 -2.36 112.91 120.05 1wnu h THR 124 Ca -0.32 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1wnu h THR 124 Cb 1.20 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1wnu h THR 124 CO 0.47 0.16 0.12 1.23 -0.25 0.00 0.00 175.52 177.25 1wnu h GLY 125 N 0.90 0.30 0.41 5.82 0.00 -1.69 -1.83 103.07 106.98 1wnu h GLY 125 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1wnu h GLY 125 CO -0.10 0.12 0.00 1.18 0.00 0.00 0.00 176.54 177.74 1wnu n GLU 126 N -4.48 0.47 -0.10 4.80 1.02 -0.89 -2.68 120.64 118.78 1wnu n GLU 126 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1wnu n GLU 126 Cb 0.09 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1wnu n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wnu n ILE 127 N -0.70 1.51 0.00 -3.67 5.41 -0.69 -4.90 119.36 116.32 1wnu n ILE 127 Ca 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1wnu n ILE 127 Cb 0.02 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.87 1wnu n ILE 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wnu n GLY 128 N 1.44 0.45 3.66 7.39 0.00 -1.09 -4.84 105.19 112.19 1wnu n GLY 128 Ca -0.31 -1.83 -0.59 0.00 0.00 0.00 0.00 46.02 43.29 1wnu n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wnu n PRO 129 N 0.69 0.68 -4.25 1.61 -0.02 -1.26 -4.82 135.00 127.64 1wnu n PRO 129 Ca 0.00 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 1wnu n PRO 129 Cb 0.00 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1wnu n PRO 129 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wnu s ILE 130 N 2.11 4.54 -0.11 4.25 1.01 -1.26 -2.03 121.20 129.70 1wnu s ILE 130 Ca 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1wnu s ILE 130 Cb -1.18 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1wnu s ILE 130 CO 0.64 0.58 -0.10 -0.75 0.00 0.00 0.00 174.94 175.30 1wnu s LYS 131 N -0.65 1.77 -0.32 2.79 2.36 -0.66 -4.87 119.74 120.16 1wnu s LYS 131 Ca 0.11 -0.37 -0.25 0.00 -2.55 0.00 0.00 55.97 52.91 1wnu s LYS 131 Cb -0.12 -1.69 0.01 0.00 -1.05 0.00 0.00 37.83 34.98 1wnu s LYS 131 CO 0.02 -0.20 0.90 0.42 1.55 0.00 0.00 175.35 178.04 1wnu s ILE 132 N 1.43 4.68 -0.15 5.43 1.01 -1.26 -0.07 121.20 132.26 1wnu s ILE 132 Ca 0.01 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 61.83 1wnu s ILE 132 Cb -0.13 -4.25 -0.24 0.00 0.01 0.00 0.00 42.46 37.85 1wnu s ILE 132 CO -0.06 -0.35 0.42 0.03 0.00 0.00 0.00 174.94 174.98 1wnu h ARG 133 N 8.14 0.11 -3.53 2.79 2.47 -0.77 -3.48 114.38 120.12 1wnu h ARG 133 Ca -0.23 -0.20 -0.14 0.00 -1.26 0.00 0.00 59.98 58.16 1wnu h ARG 133 Cb 1.08 0.07 -0.20 0.00 -1.65 0.00 0.00 29.97 29.28 1wnu h ARG 133 CO 0.94 1.09 -0.47 0.21 0.56 0.00 0.00 179.97 182.31 1wnu s LYS 134 N -2.41 0.54 -0.07 0.04 2.20 -1.11 -5.02 119.74 113.91 1wnu s LYS 134 Ca -0.24 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1wnu s LYS 134 Cb 0.04 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1wnu s LYS 134 CO 0.68 -0.14 0.02 0.08 -0.36 0.00 0.00 175.35 175.64 1wnu s VAL 135 N -1.71 0.23 -0.09 4.02 1.01 -1.26 0.50 120.40 123.10 1wnu s VAL 135 Ca -0.12 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1wnu s VAL 135 Cb -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wnu s VAL 135 CO 0.00 0.18 -0.21 -0.60 0.00 0.00 0.00 175.10 174.47 1wnu s ARG 136 N 2.03 2.94 -0.27 2.72 3.52 -0.45 -4.95 118.95 124.48 1wnu s ARG 136 Ca 0.04 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 1wnu s ARG 136 Cb -0.13 -2.34 0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1wnu s ARG 136 CO -0.05 0.28 0.01 0.12 -0.81 0.00 0.00 175.30 174.85 1wnu s PHE 137 N 0.12 3.12 -0.56 5.12 2.19 -1.26 0.47 117.98 127.17 1wnu s PHE 137 Ca -0.11 -1.31 -0.18 0.00 0.33 0.00 0.00 56.93 55.66 1wnu s PHE 137 Cb -0.16 -2.15 0.09 0.00 -1.31 0.00 0.00 43.02 39.49 1wnu s PHE 137 CO 0.06 -0.66 0.65 1.03 1.83 0.00 0.00 175.22 178.13 1wnu s ARG 138 N 1.40 3.05 0.24 10.12 0.52 -0.38 -4.96 118.95 128.94 1wnu s ARG 138 Ca 0.01 -1.27 -0.05 0.00 -0.52 0.00 0.00 55.73 53.90 1wnu s ARG 138 Cb -0.17 -4.23 0.41 0.00 0.52 0.00 0.00 34.95 31.48 1wnu s ARG 138 CO -0.01 -1.42 1.74 -0.22 0.02 0.00 0.00 175.30 175.41 1wnu h LYS 139 N 9.09 0.47 0.02 3.54 3.64 -1.97 0.11 116.57 131.48 1wnu h LYS 139 Ca -0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1wnu h LYS 139 Cb 1.09 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1wnu h LYS 139 CO 1.05 0.31 -0.05 1.03 -2.27 0.00 0.00 179.45 179.52 1wnu h SER 140 N 0.48 -0.15 1.14 4.20 0.87 -1.97 -2.81 113.55 115.31 1wnu h SER 140 Ca 0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1wnu h SER 140 Cb 0.54 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1wnu h SER 140 CO -0.36 -0.06 0.00 0.11 -0.53 0.00 0.00 176.83 175.99 1wnu h LYS 141 N -0.08 0.00 -3.39 2.24 1.57 -1.99 -3.47 116.57 111.46 1wnu h LYS 141 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1wnu h LYS 141 Cb 0.08 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.46 1wnu h LYS 141 CO -0.02 0.00 -0.32 0.41 -0.57 0.00 0.00 179.45 178.95 1wnu n GLY 142 N 0.22 0.18 3.39 3.86 0.00 0.37 -4.93 105.19 108.29 1wnu n GLY 142 Ca 0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1wnu n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wnu s LEU 143 N -3.86 2.33 -0.16 0.99 1.43 -1.10 -0.90 118.68 117.43 1wnu s LEU 143 Ca 0.12 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1wnu s LEU 143 Cb -0.05 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1wnu s LEU 143 CO 0.32 0.22 -0.15 -0.22 0.23 0.00 0.00 176.35 176.75 1wnu s LEU 144 N -1.64 2.49 -0.27 1.79 2.96 0.20 -1.25 118.68 122.96 1wnu s LEU 144 Ca 0.13 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1wnu s LEU 144 Cb -0.10 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1wnu s LEU 144 CO 0.05 0.08 0.23 -1.61 -1.32 0.00 0.00 176.35 173.78 1wnu s GLU 145 N 0.82 3.98 -0.41 1.98 2.02 0.18 -0.32 118.70 126.94 1wnu s GLU 145 Ca -0.05 -0.23 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 1wnu s GLU 145 Cb -0.15 -3.65 0.10 0.00 0.10 0.00 0.00 34.13 30.53 1wnu s GLU 145 CO -0.00 -0.18 0.22 0.42 0.02 0.00 0.00 175.26 175.74 1wnu s ILE 146 N 1.78 3.55 -0.15 -1.63 -1.09 0.31 -1.34 121.20 122.63 1wnu s ILE 146 Ca 0.09 -1.87 -0.20 0.00 -2.23 0.00 0.00 60.65 56.44 1wnu s ILE 146 Cb -0.16 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1wnu s ILE 146 CO 0.10 -0.64 0.55 -1.00 -1.23 0.00 0.00 174.94 172.73 1wnu s HIS 147 N 1.23 3.46 0.05 3.97 3.76 0.18 -1.79 115.29 126.15 1wnu s HIS 147 Ca 0.06 0.93 -0.07 0.00 -0.15 0.00 0.00 55.06 55.82 1wnu s HIS 147 Cb -0.23 -2.67 -0.00 0.00 1.11 0.00 0.00 32.58 30.78 1wnu s HIS 147 CO -0.03 0.02 0.15 -0.59 -0.85 0.00 0.00 174.74 173.44 1wnu s PHE 148 N 1.15 0.15 -0.00 1.40 -0.12 -0.51 -0.00 117.98 120.05 1wnu s PHE 148 Ca 0.28 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1wnu s PHE 148 Cb -0.16 -0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.14 1wnu s PHE 148 CO 0.11 -0.43 -0.03 -1.83 -0.05 0.00 0.00 175.22 173.00 1wnu s GLU 149 N -2.93 0.23 0.85 1.99 -1.05 0.90 -0.46 118.70 118.22 1wnu s GLU 149 Ca -0.02 -0.10 -0.12 0.00 -0.15 0.00 0.00 54.97 54.58 1wnu s GLU 149 Cb 0.01 -0.23 0.10 0.00 -0.44 0.00 0.00 34.13 33.57 1wnu s GLU 149 CO -0.06 0.06 1.11 -0.51 0.95 0.00 0.00 175.26 176.81 1wnu s LEU 150 N -0.06 2.37 -0.63 1.83 1.43 -0.18 -1.66 118.68 121.78 1wnu s LEU 150 Ca 0.01 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 1wnu s LEU 150 Cb -0.01 -3.75 0.27 0.00 0.03 0.00 0.00 46.19 42.73 1wnu s LEU 150 CO -0.00 -2.25 0.78 0.18 0.23 0.00 0.00 176.35 175.29 1wnu n LEU 151 N -3.61 3.87 0.00 1.79 4.32 -0.86 -4.89 117.00 117.62 1wnu n LEU 151 Ca 0.07 -5.49 0.00 0.00 -0.02 0.00 0.00 56.01 50.57 1wnu n LEU 151 Cb 0.57 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1wnu n LEU 151 CO 0.57 2.12 0.00 1.21 -1.22 0.00 0.00 177.39 180.06