#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi3 s SER 2 N 0.00 6.53 0.11 1.61 0.01 -1.26 -5.01 113.70 115.70 1wi3 s SER 2 Ca 0.00 2.87 -0.17 0.00 1.31 0.00 0.00 55.95 59.96 1wi3 s SER 2 Cb 0.00 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.61 1wi3 s SER 2 CO 0.00 -0.74 0.42 -0.44 0.41 0.00 0.00 173.24 172.89 1wi3 s SER 3 N -0.16 -0.26 0.00 2.44 0.01 -1.26 -5.12 113.70 109.34 1wi3 s SER 3 Ca 0.53 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1wi3 s SER 3 Cb -0.44 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1wi3 s SER 3 CO 0.56 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wi3 n GLY 4 N -0.10 -1.01 2.56 3.44 0.00 -1.26 -5.13 105.19 103.69 1wi3 n GLY 4 Ca -0.17 0.72 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1wi3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi3 s SER 5 N 0.00 3.37 0.05 1.61 0.15 -1.26 -4.86 113.70 112.76 1wi3 s SER 5 Ca 0.00 -1.95 0.03 0.00 0.70 0.00 0.00 55.95 54.72 1wi3 s SER 5 Cb 0.00 -0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 63.73 1wi3 s SER 5 CO 0.00 -0.35 -0.09 -0.44 1.20 0.00 0.00 173.24 173.56 1wi3 s SER 6 N 1.29 1.05 0.11 5.45 0.01 -1.26 -5.10 113.70 115.25 1wi3 s SER 6 Ca 0.15 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1wi3 s SER 6 Cb -0.21 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1wi3 s SER 6 CO -0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wi3 n GLY 7 N 1.34 -2.17 0.65 3.44 0.00 -1.26 -4.97 105.19 102.22 1wi3 n GLY 7 Ca -0.22 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 1wi3 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi3 n PRO 8 N -2.87 -0.80 -4.74 1.61 -0.04 -1.26 -5.07 135.00 121.83 1wi3 n PRO 8 Ca -0.01 -0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 62.78 1wi3 n PRO 8 Cb 0.15 -0.26 -0.12 0.00 -0.04 0.00 0.00 33.50 33.23 1wi3 n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wi3 s ARG 9 N -3.48 2.66 0.06 0.54 3.03 -1.26 -5.11 118.95 115.40 1wi3 s ARG 9 Ca 0.13 -0.61 0.03 0.00 2.03 0.00 0.00 55.73 57.31 1wi3 s ARG 9 Cb -0.01 -2.50 -0.03 0.00 -1.03 0.00 0.00 34.95 31.38 1wi3 s ARG 9 CO 0.09 0.64 -0.10 0.45 -1.13 0.00 0.00 175.30 175.25 1wi3 s SER 10 N -0.75 1.22 0.23 -2.89 0.15 -1.26 -5.12 113.70 105.27 1wi3 s SER 10 Ca 0.12 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.82 1wi3 s SER 10 Cb -0.11 0.01 -0.10 0.00 -1.71 0.00 0.00 66.02 64.11 1wi3 s SER 10 CO 0.01 -0.19 1.43 -0.60 1.20 0.00 0.00 173.24 175.09 1wi3 s ARG 11 N -1.97 4.28 0.62 5.44 3.00 -1.26 -4.97 118.95 124.10 1wi3 s ARG 11 Ca -0.04 2.26 -0.18 0.00 -1.00 0.00 0.00 55.73 56.78 1wi3 s ARG 11 Cb -0.08 -3.13 -0.02 0.00 0.00 0.00 0.00 34.95 31.72 1wi3 s ARG 11 CO 0.01 -0.41 1.20 -0.08 0.00 0.00 0.00 175.30 176.02 1wi3 s THR 12 N 0.16 2.60 -0.30 4.11 -1.32 -1.26 -5.03 115.64 114.60 1wi3 s THR 12 Ca 0.60 0.36 -0.16 0.00 -1.21 0.00 0.00 61.69 61.27 1wi3 s THR 12 Cb -0.41 -3.09 0.18 0.00 -1.51 0.00 0.00 72.50 67.67 1wi3 s THR 12 CO 0.41 -0.10 1.12 -0.75 -2.21 0.00 0.00 174.62 173.09 1wi3 s LYS 13 N -3.46 0.16 -0.10 7.08 2.47 -1.26 -5.14 119.74 119.48 1wi3 s LYS 13 Ca 0.77 0.36 0.01 0.00 -1.56 0.00 0.00 55.97 55.54 1wi3 s LYS 13 Cb -0.30 0.21 0.02 0.00 -1.46 0.00 0.00 37.83 36.30 1wi3 s LYS 13 CO 0.36 -0.10 -0.10 0.42 0.16 0.00 0.00 175.35 176.09 1wi3 s ILE 14 N 2.50 1.12 0.31 5.43 1.09 -1.26 -5.01 121.20 125.37 1wi3 s ILE 14 Ca -0.02 -0.39 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 1wi3 s ILE 14 Cb -0.06 -1.08 0.40 0.00 -1.06 0.00 0.00 42.46 40.66 1wi3 s ILE 14 CO -0.14 0.37 1.52 -1.20 -0.10 0.00 0.00 174.94 175.38 1wi3 n SER 15 N 4.53 -0.07 0.00 3.58 7.64 -1.26 -4.82 113.62 123.22 1wi3 n SER 15 Ca -0.17 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1wi3 n SER 15 Cb 0.51 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1wi3 n SER 15 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wi3 n LEU 16 N -5.42 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.79 1wi3 n LEU 16 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1wi3 n LEU 16 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.74 1wi3 n LEU 16 CO -0.07 0.00 0.13 -0.62 -1.11 0.00 0.00 177.39 175.73 1wi3 n GLU 17 N 0.00 0.00 -0.14 1.96 1.02 -1.26 0.77 120.64 123.00 1wi3 n GLU 17 Ca 0.00 0.26 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 1wi3 n GLU 17 Cb 0.00 -0.67 0.09 0.00 -0.02 0.00 0.00 31.44 30.84 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi3 n ALA 18 N -1.42 0.16 -0.56 0.62 0.00 -1.26 0.10 120.51 118.15 1wi3 n ALA 18 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1wi3 n ALA 18 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wi3 n ALA 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi3 n LEU 19 N -4.47 0.16 -0.33 0.00 -0.00 0.17 -1.43 117.00 111.10 1wi3 n LEU 19 Ca 0.08 0.67 0.35 0.00 -0.00 0.00 0.00 56.01 57.11 1wi3 n LEU 19 Cb 0.26 -0.22 0.58 0.00 -0.00 0.00 0.00 43.42 44.04 1wi3 n LEU 19 CO -0.04 -0.22 1.32 1.23 -0.00 0.00 0.00 177.39 179.68 1wi3 h GLY 20 N 0.00 0.00 0.37 -3.96 0.00 0.48 1.68 103.07 101.64 1wi3 h GLY 20 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wi3 h GLY 20 CO 0.00 0.00 -0.18 -2.22 0.00 0.00 0.00 176.54 174.14 1wi3 h ILE 21 N 0.00 0.00 0.00 2.60 2.04 0.95 0.57 117.51 123.67 1wi3 h ILE 21 Ca 0.59 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1wi3 h ILE 21 Cb 2.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1wi3 h ILE 21 CO -0.01 0.00 0.00 0.17 0.00 0.00 0.00 178.15 178.31 1wi3 h LEU 22 N -0.71 0.00 -0.31 1.44 -0.00 0.72 -2.54 115.31 113.91 1wi3 h LEU 22 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.63 1wi3 h LEU 22 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1wi3 h LEU 22 CO 0.08 0.00 -0.79 -0.61 -0.00 0.00 0.00 178.44 177.13 1wi3 h GLN 23 N 0.00 0.46 -0.21 0.17 -0.00 0.23 -2.36 115.11 113.40 1wi3 h GLN 23 Ca 0.00 -0.40 -0.11 0.00 -0.00 0.00 0.00 58.65 58.14 1wi3 h GLN 23 Cb 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.06 1wi3 h GLN 23 CO 0.00 1.04 -0.35 1.03 0.00 0.00 0.00 178.83 180.56 1wi3 h SER 24 N 0.30 0.47 0.83 -0.69 0.87 -0.44 -2.55 113.55 112.33 1wi3 h SER 24 Ca -0.05 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 1wi3 h SER 24 Cb 1.38 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1wi3 h SER 24 CO 0.14 0.78 -0.50 0.15 -0.53 0.00 0.00 176.83 176.88 1wi3 h PHE 25 N 0.38 0.00 -0.22 2.24 3.04 -1.46 -2.25 116.94 118.68 1wi3 h PHE 25 Ca 0.04 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1wi3 h PHE 25 Cb 0.79 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1wi3 h PHE 25 CO 0.03 0.50 -0.13 0.82 -2.02 0.00 0.00 178.31 177.50 1wi3 h ILE 26 N 0.00 1.31 0.00 1.41 2.04 -1.04 1.02 117.51 122.25 1wi3 h ILE 26 Ca -0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1wi3 h ILE 26 Cb 1.04 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1wi3 h ILE 26 CO 0.06 0.38 0.00 1.57 0.00 0.00 0.00 178.15 180.16 1wi3 n HIS 27 N -4.49 0.63 -0.09 1.37 -0.00 -0.99 0.19 115.22 111.83 1wi3 n HIS 27 Ca -0.05 0.22 -0.13 0.00 0.46 0.00 0.00 57.72 58.23 1wi3 n HIS 27 Cb 0.36 -0.86 -0.06 0.00 -0.12 0.00 0.00 29.99 29.31 1wi3 n HIS 27 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1wi3 n ASP 28 N -2.05 1.85 -0.02 0.26 2.03 -0.85 -4.58 116.55 113.19 1wi3 n ASP 28 Ca 0.04 0.50 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 1wi3 n ASP 28 Cb 0.28 -0.88 -0.12 0.00 -0.72 0.00 0.00 41.12 39.68 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wi3 h VAL 29 N -1.00 1.57 0.00 5.18 -1.51 0.11 -3.51 116.25 117.09 1wi3 h VAL 29 Ca -0.18 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 1wi3 h VAL 29 Cb 0.93 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1wi3 h VAL 29 CO -0.11 0.56 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 1wi3 n GLY 30 N 1.17 0.36 2.58 5.19 0.00 0.50 -4.87 105.19 110.12 1wi3 n GLY 30 Ca -0.10 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1wi3 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wi3 n LEU 31 N 0.00 2.93 -2.73 0.99 4.77 -1.26 -4.32 117.00 117.38 1wi3 n LEU 31 Ca 0.00 -5.10 -0.08 0.00 -0.03 0.00 0.00 56.01 50.80 1wi3 n LEU 31 Cb 0.00 0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1wi3 n LEU 31 CO 0.00 2.20 0.35 -1.22 -1.33 0.00 0.00 177.39 177.39 1wi3 n TYR 32 N -0.10 -2.67 -1.53 -1.77 4.01 -1.26 -5.05 117.16 108.79 1wi3 n TYR 32 Ca 0.27 -1.83 -0.29 0.00 -0.16 0.00 0.00 57.90 55.89 1wi3 n TYR 32 Cb 0.59 1.55 0.17 0.00 -0.31 0.00 0.00 39.34 41.34 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wi3 s PRO 33 N 0.36 0.55 0.27 -0.72 0.04 -1.26 -5.09 135.00 129.15 1wi3 s PRO 33 Ca 0.25 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.43 1wi3 s PRO 33 Cb 0.27 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 1wi3 s PRO 33 CO -0.12 -2.55 -0.10 -0.51 0.04 0.00 0.00 177.00 173.76 1wi3 s ASP 34 N -4.18 2.93 0.61 6.66 1.01 -1.26 -4.96 116.67 117.48 1wi3 s ASP 34 Ca 0.67 -1.14 0.26 0.00 0.71 0.00 0.00 52.55 53.05 1wi3 s ASP 34 Cb -0.11 -0.20 1.16 0.00 1.01 0.00 0.00 42.92 44.78 1wi3 s ASP 34 CO 0.54 -0.25 1.59 -0.61 0.21 0.00 0.00 175.17 176.66 1wi3 h GLN 35 N 2.31 0.00 0.00 8.23 4.15 -1.98 0.55 115.11 128.37 1wi3 h GLN 35 Ca -0.40 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1wi3 h GLN 35 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wi3 h GLN 35 CO 0.66 0.00 -0.00 1.49 -1.93 0.00 0.00 178.83 179.04 1wi3 h GLU 36 N 0.00 -0.01 -0.40 1.69 4.81 -1.99 -2.19 114.58 116.49 1wi3 h GLU 36 Ca 0.28 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1wi3 h GLU 36 Cb 1.87 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.23 1wi3 h GLU 36 CO -0.00 0.86 0.25 0.00 -0.73 0.00 0.00 179.01 179.38 1wi3 h ALA 37 N 0.06 0.51 -0.30 2.92 0.00 -0.42 -1.36 119.26 120.68 1wi3 h ALA 37 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wi3 h ALA 37 Cb 0.86 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1wi3 h ALA 37 CO 0.00 -0.07 0.12 0.82 0.00 0.00 0.00 179.25 180.12 1wi3 h ILE 38 N 0.51 0.95 -0.77 0.00 2.04 -0.86 -0.90 117.51 118.48 1wi3 h ILE 38 Ca 0.15 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 66.07 1wi3 h ILE 38 Cb -0.02 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 1wi3 h ILE 38 CO -0.06 0.05 0.33 -0.74 0.00 0.00 0.00 178.15 177.73 1wi3 h HIS 39 N 0.26 0.56 -0.49 1.37 2.76 -0.82 0.67 115.15 119.47 1wi3 h HIS 39 Ca 0.13 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1wi3 h HIS 39 Cb 0.08 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1wi3 h HIS 39 CO -0.12 0.09 0.14 1.15 -1.30 0.00 0.00 177.93 177.89 1wi3 h THR 40 N 0.48 1.20 -0.08 6.26 2.02 -0.27 0.19 112.91 122.71 1wi3 h THR 40 Ca 0.42 -0.70 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 1wi3 h THR 40 Cb 0.62 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1wi3 h THR 40 CO -0.39 0.26 -0.66 -0.07 0.37 0.00 0.00 175.52 175.03 1wi3 h LEU 41 N 0.71 0.40 -0.11 2.58 3.38 0.87 0.75 115.31 123.88 1wi3 h LEU 41 Ca 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wi3 h LEU 41 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wi3 h LEU 41 CO -0.01 0.95 0.00 -0.24 0.09 0.00 0.00 178.44 179.23 1wi3 n SER 42 N -3.86 0.75 -0.03 -0.43 2.88 0.20 -2.70 113.62 110.43 1wi3 n SER 42 Ca -0.03 0.59 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 1wi3 n SER 42 Cb 0.66 -0.78 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 1wi3 n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi3 n ALA 43 N -1.77 0.32 -0.33 -1.46 0.00 0.61 -1.05 120.51 116.84 1wi3 n ALA 43 Ca 0.05 -0.45 0.27 0.00 0.00 0.00 0.00 53.44 53.30 1wi3 n ALA 43 Cb 0.39 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.36 1wi3 n ALA 43 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wi3 h GLN 44 N -0.38 0.06 0.00 0.00 4.15 0.35 0.88 115.11 120.18 1wi3 h GLN 44 Ca 0.00 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 1wi3 h GLN 44 Cb 0.37 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1wi3 h GLN 44 CO 0.00 0.04 -1.92 1.28 -1.93 0.00 0.00 178.83 176.30 1wi3 n LEU 45 N -5.27 0.35 -0.05 -2.39 4.77 -1.10 -4.97 117.00 108.34 1wi3 n LEU 45 Ca 0.33 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 1wi3 n LEU 45 Cb 1.11 0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 42.42 1wi3 n LEU 45 CO 0.01 0.25 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.65 1wi3 n ASP 46 N -2.70 -3.03 -4.95 -1.43 2.03 0.31 -5.03 116.55 101.74 1wi3 n ASP 46 Ca -0.17 0.02 -0.23 0.00 0.52 0.00 0.00 54.79 54.92 1wi3 n ASP 46 Cb 0.90 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1wi3 n ASP 46 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wi3 s LEU 47 N -0.14 3.76 0.78 -2.67 1.43 -0.22 -4.88 118.68 116.75 1wi3 s LEU 47 Ca 0.00 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1wi3 s LEU 47 Cb 0.00 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 43.04 1wi3 s LEU 47 CO 0.00 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 174.94 1wi3 s PRO 48 N -4.48 2.23 -0.00 1.29 0.04 -1.26 -3.99 135.00 128.82 1wi3 s PRO 48 Ca 0.46 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 1wi3 s PRO 48 Cb -0.10 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.32 1wi3 s PRO 48 CO 0.38 -1.53 1.30 0.87 0.04 0.00 0.00 177.00 178.06 1wi3 h LYS 49 N -1.03 -0.07 -0.90 4.56 1.57 -1.93 -2.13 116.57 116.64 1wi3 h LYS 49 Ca -0.46 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1wi3 h LYS 49 Cb 1.26 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 1wi3 h LYS 49 CO 0.59 0.32 0.44 1.12 -0.57 0.00 0.00 179.45 181.35 1wi3 h HIS 50 N -0.49 0.75 0.83 -1.35 2.07 -1.94 1.26 115.15 116.28 1wi3 h HIS 50 Ca -0.01 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.51 1wi3 h HIS 50 Cb 0.43 -0.19 0.01 0.00 2.57 0.00 0.00 27.41 30.22 1wi3 h HIS 50 CO 0.06 0.05 -0.40 1.15 -3.07 0.00 0.00 177.93 175.72 1wi3 h THR 51 N 0.51 0.15 -0.17 6.12 2.02 -1.91 1.44 112.91 121.06 1wi3 h THR 51 Ca 0.54 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.69 1wi3 h THR 51 Cb 0.95 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1wi3 h THR 51 CO -0.46 0.00 -0.00 0.40 0.37 0.00 0.00 175.52 175.83 1wi3 h ILE 52 N -1.17 0.88 0.65 3.11 2.04 -0.56 -0.26 117.51 122.21 1wi3 h ILE 52 Ca -0.11 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1wi3 h ILE 52 Cb 0.86 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1wi3 h ILE 52 CO 0.19 0.01 -0.41 0.40 0.00 0.00 0.00 178.15 178.33 1wi3 h ILE 53 N 0.05 0.16 -0.83 -0.67 2.04 0.16 0.13 117.51 118.56 1wi3 h ILE 53 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1wi3 h ILE 53 Cb 0.10 0.16 -0.13 0.00 -0.74 0.00 0.00 36.82 36.21 1wi3 h ILE 53 CO -0.14 0.00 -0.43 0.11 0.00 0.00 0.00 178.15 177.69 1wi3 h LYS 54 N -1.01 -0.08 -0.53 2.37 1.79 0.22 0.59 116.57 119.92 1wi3 h LYS 54 Ca -0.08 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.48 1wi3 h LYS 54 Cb 0.82 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.42 1wi3 h LYS 54 CO 0.07 -0.05 0.16 0.35 -1.08 0.00 0.00 179.45 178.90 1wi3 h PHE 55 N -0.08 0.26 -0.47 -1.35 3.57 -0.76 -1.66 116.94 116.45 1wi3 h PHE 55 Ca 0.26 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1wi3 h PHE 55 Cb 0.55 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1wi3 h PHE 55 CO -0.83 0.05 0.24 0.74 -2.23 0.00 0.00 178.31 176.28 1wi3 h PHE 56 N 0.31 0.45 -1.01 0.41 0.04 0.20 -1.53 116.94 115.82 1wi3 h PHE 56 Ca 0.27 0.02 0.22 0.00 2.80 0.00 0.00 57.97 61.28 1wi3 h PHE 56 Cb 0.33 -0.13 -0.11 0.00 2.20 0.00 0.00 35.95 38.24 1wi3 h PHE 56 CO -0.20 0.23 0.61 1.96 -0.60 0.00 0.00 178.31 180.31 1wi3 h GLN 57 N 0.48 0.62 0.21 1.51 1.08 0.66 0.47 115.11 120.14 1wi3 h GLN 57 Ca 0.20 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1wi3 h GLN 57 Cb 0.10 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1wi3 h GLN 57 CO -0.14 0.41 -0.10 -0.97 -0.95 0.00 0.00 178.83 177.08 1wi3 h ASN 58 N 0.64 -0.24 -0.47 1.46 -1.24 -0.96 -1.76 115.58 113.01 1wi3 h ASN 58 Ca 0.61 -0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.56 1wi3 h ASN 58 Cb 1.11 0.06 -0.07 0.00 0.73 0.00 0.00 38.32 40.16 1wi3 h ASN 58 CO -0.42 -0.04 -0.41 1.56 -1.29 0.00 0.00 177.43 176.83 1wi3 h GLN 59 N -0.44 -0.16 0.02 6.67 1.08 -0.54 0.58 115.11 122.32 1wi3 h GLN 59 Ca -0.03 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1wi3 h GLN 59 Cb 0.33 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1wi3 h GLN 59 CO 0.05 -0.11 -0.14 0.00 -0.95 0.00 0.00 178.83 177.68 1wi3 h ARG 60 N -0.17 -0.18 -0.99 1.46 3.08 -1.39 0.51 114.38 116.70 1wi3 h ARG 60 Ca 0.08 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1wi3 h ARG 60 Cb 0.38 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.34 1wi3 h ARG 60 CO -0.54 -0.12 -0.53 0.98 -1.07 0.00 0.00 179.97 178.69 1wi3 n TYR 61 N -3.26 -0.30 -0.03 3.04 9.36 -0.66 -1.02 117.16 124.27 1wi3 n TYR 61 Ca -0.02 1.24 -0.09 0.00 3.32 0.00 0.00 57.90 62.34 1wi3 n TYR 61 Cb 0.11 -0.66 -0.06 0.00 -0.63 0.00 0.00 39.34 38.09 1wi3 n TYR 61 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1wi3 h HIS 62 N 0.00 -1.04 -1.80 2.98 3.86 0.49 -3.40 115.15 116.24 1wi3 h HIS 62 Ca 0.21 0.04 -0.66 0.00 -1.16 0.00 0.00 60.37 58.80 1wi3 h HIS 62 Cb 0.46 0.47 0.05 0.00 1.06 0.00 0.00 27.41 29.45 1wi3 h HIS 62 CO -0.98 -0.33 0.56 0.28 0.86 0.00 0.00 177.93 178.31 1wi3 n VAL 63 N -4.37 0.02 0.03 2.45 0.31 0.14 -4.86 118.33 112.06 1wi3 n VAL 63 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1wi3 n VAL 63 Cb 0.23 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1wi3 n VAL 63 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wi3 n LYS 64 N 2.91 0.00 -4.71 5.55 4.76 -1.26 -4.88 118.16 120.53 1wi3 n LYS 64 Ca 0.19 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.30 1wi3 n LYS 64 Cb 0.21 -0.28 -0.15 0.00 -1.84 0.00 0.00 35.03 32.97 1wi3 n LYS 64 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wi3 s HIS 65 N -1.60 2.78 0.14 2.13 3.76 -1.26 -4.97 115.29 116.27 1wi3 s HIS 65 Ca 0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.07 1wi3 s HIS 65 Cb 0.00 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.84 1wi3 s HIS 65 CO 0.00 -0.34 0.00 0.43 -0.85 0.00 0.00 174.74 173.98 1wi3 n SER 66 N 3.75 0.50 0.00 1.40 7.64 -1.26 -5.13 113.62 120.53 1wi3 n SER 66 Ca -0.19 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wi3 n SER 66 Cb 0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1wi3 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi3 n GLY 67 N 2.68 -2.18 3.55 0.23 0.00 -1.26 -5.08 105.19 103.13 1wi3 n GLY 67 Ca 0.00 0.76 -0.39 0.00 0.00 0.00 0.00 46.02 46.39 1wi3 n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 68 N 0.00 2.95 0.70 1.61 0.04 -1.26 -4.98 135.00 134.06 1wi3 s PRO 68 Ca 0.00 0.00 -0.12 0.00 0.04 0.00 0.00 61.00 60.92 1wi3 s PRO 68 Cb 0.00 -4.46 0.02 0.00 0.04 0.00 0.00 34.50 30.09 1wi3 s PRO 68 CO 0.00 -2.50 1.08 -1.12 0.04 0.00 0.00 177.00 174.50 1wi3 s SER 69 N 5.98 5.11 0.99 6.66 0.01 -1.26 -4.99 113.70 126.20 1wi3 s SER 69 Ca 0.52 1.78 -0.13 0.00 1.31 0.00 0.00 55.95 59.43 1wi3 s SER 69 Cb -0.09 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.71 1wi3 s SER 69 CO 0.13 -1.62 0.55 -1.20 0.41 0.00 0.00 173.24 171.51 1wi3 n SER 70 N -2.97 -1.58 0.00 2.44 7.64 -1.26 -5.21 113.62 112.68 1wi3 n SER 70 Ca 0.09 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wi3 n SER 70 Cb 0.53 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64