#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi3 n SER 2 N 0.00 0.00 -4.24 1.61 2.88 -1.26 -4.68 113.62 107.92 1wi3 n SER 2 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1wi3 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1wi3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi3 s SER 3 N 0.00 6.08 0.00 -3.46 1.04 -1.26 -4.64 113.70 111.46 1wi3 s SER 3 Ca 0.00 -2.48 0.00 0.00 0.48 0.00 0.00 55.95 53.95 1wi3 s SER 3 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1wi3 s SER 3 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1wi3 n GLY 4 N 4.17 -0.35 0.70 7.32 0.00 -1.26 -5.06 105.19 110.71 1wi3 n GLY 4 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wi3 n SER 5 N -0.79 1.22 -0.86 1.61 3.41 -1.26 -4.96 113.62 111.98 1wi3 n SER 5 Ca 0.00 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1wi3 n SER 5 Cb 0.32 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1wi3 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wi3 n SER 6 N -3.74 -4.76 0.00 4.04 7.64 -1.26 -5.09 113.62 110.46 1wi3 n SER 6 Ca -0.09 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1wi3 n SER 6 Cb 0.31 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1wi3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi3 n GLY 7 N -3.43 3.11 2.82 0.23 0.00 -1.26 -5.03 105.19 101.63 1wi3 n GLY 7 Ca -0.05 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 2.29 -2.90 1.61 -0.04 -1.26 -4.91 135.00 129.79 1wi3 n PRO 8 Ca 0.00 -2.10 -0.23 0.00 -0.04 0.00 0.00 63.50 61.12 1wi3 n PRO 8 Cb 0.00 -2.98 0.01 0.00 -0.04 0.00 0.00 33.50 30.50 1wi3 n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wi3 s ARG 9 N 3.85 3.05 -0.09 0.54 0.52 -1.26 -5.05 118.95 120.52 1wi3 s ARG 9 Ca 0.53 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 55.25 1wi3 s ARG 9 Cb 0.14 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 1wi3 s ARG 9 CO 0.00 -0.33 0.24 1.03 0.02 0.00 0.00 175.30 176.26 1wi3 h SER 10 N 0.32 -0.09 -4.17 0.23 0.87 -2.05 -3.50 113.55 105.15 1wi3 h SER 10 Ca -0.46 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1wi3 h SER 10 Cb 1.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1wi3 h SER 10 CO 0.58 0.44 -0.65 -1.14 -0.53 0.00 0.00 176.83 175.53 1wi3 n ARG 11 N -4.84 -3.56 -3.00 2.24 3.00 -1.26 -4.95 116.66 104.30 1wi3 n ARG 11 Ca -0.03 2.57 -0.21 0.00 -0.00 0.00 0.00 57.85 60.19 1wi3 n ARG 11 Cb 0.10 -2.82 -0.02 0.00 0.00 0.00 0.00 32.46 29.72 1wi3 n ARG 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wi3 n THR 12 N 0.27 1.25 0.00 5.15 5.66 -1.26 -5.03 114.28 120.32 1wi3 n THR 12 Ca 0.00 -4.80 0.00 0.00 -3.05 0.00 0.00 64.05 56.20 1wi3 n THR 12 Cb 0.00 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 1wi3 n THR 12 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1wi3 n LYS 13 N 0.01 0.00 -1.68 1.09 5.02 -1.26 -4.72 118.16 116.62 1wi3 n LYS 13 Ca 0.26 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1wi3 n LYS 13 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 1wi3 n LYS 13 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wi3 s ILE 14 N 0.00 3.07 0.28 -0.18 1.09 -1.26 -4.83 121.20 119.37 1wi3 s ILE 14 Ca 0.00 0.08 -0.04 0.00 -1.10 0.00 0.00 60.65 59.59 1wi3 s ILE 14 Cb 0.00 -3.07 0.42 0.00 -1.06 0.00 0.00 42.46 38.75 1wi3 s ILE 14 CO 0.00 -0.03 1.49 -1.20 -0.10 0.00 0.00 174.94 175.10 1wi3 n SER 15 N 9.43 -0.25 0.00 3.58 7.64 -1.26 -4.83 113.62 127.93 1wi3 n SER 15 Ca 0.24 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.75 1wi3 n SER 15 Cb 0.43 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -5.50 0.00 0.00 -3.43 7.94 -1.26 -4.89 117.00 109.86 1wi3 n LEU 16 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1wi3 n LEU 16 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1wi3 n LEU 16 CO -0.10 0.00 0.12 -0.62 -1.11 0.00 0.00 177.39 175.69 1wi3 n GLU 17 N 0.00 0.00 -0.12 1.96 4.71 -1.26 -0.34 120.64 125.59 1wi3 n GLU 17 Ca 0.00 0.25 -0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1wi3 n GLU 17 Cb 0.00 -0.66 0.01 0.00 -1.01 0.00 0.00 31.44 29.78 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wi3 n ALA 18 N -1.54 -0.05 -0.05 0.62 0.00 -1.26 0.19 120.51 118.42 1wi3 n ALA 18 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1wi3 n ALA 18 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1wi3 n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wi3 h LEU 19 N 0.00 -0.52 -0.71 0.00 7.12 -1.02 0.30 115.31 120.48 1wi3 h LEU 19 Ca 0.11 0.07 0.16 0.00 0.13 0.00 0.00 57.88 58.35 1wi3 h LEU 19 Cb 0.19 0.22 -0.12 0.00 -0.53 0.00 0.00 40.66 40.41 1wi3 h LEU 19 CO -0.31 -0.10 0.04 1.23 -0.13 0.00 0.00 178.44 179.17 1wi3 h GLY 20 N -0.09 0.83 0.02 3.75 0.00 0.34 1.24 103.07 109.16 1wi3 h GLY 20 Ca 0.02 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1wi3 h GLY 20 CO -0.18 -0.25 -0.48 -2.22 0.00 0.00 0.00 176.54 173.41 1wi3 h ILE 21 N 0.14 0.07 0.00 2.60 2.04 0.66 1.59 117.51 124.61 1wi3 h ILE 21 Ca 0.39 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.22 1wi3 h ILE 21 Cb 0.67 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1wi3 h ILE 21 CO -0.60 0.00 -0.14 0.17 0.00 0.00 0.00 178.15 177.58 1wi3 h LEU 22 N -0.60 0.00 -0.05 1.44 8.10 1.00 -2.41 115.31 122.78 1wi3 h LEU 22 Ca 0.04 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.00 1wi3 h LEU 22 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1wi3 h LEU 22 CO -0.37 0.14 -0.07 -0.61 -4.11 0.00 0.00 178.44 173.42 1wi3 h GLN 23 N 0.00 0.14 -0.85 0.17 -0.00 0.50 -2.34 115.11 112.72 1wi3 h GLN 23 Ca -0.00 -0.08 0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1wi3 h GLN 23 Cb 0.42 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.85 1wi3 h GLN 23 CO 0.02 0.63 0.54 1.03 0.00 0.00 0.00 178.83 181.05 1wi3 h SER 24 N -0.35 0.89 -0.80 -0.69 0.87 0.24 -1.25 113.55 112.47 1wi3 h SER 24 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1wi3 h SER 24 Cb 0.61 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1wi3 h SER 24 CO 0.02 0.59 0.47 0.15 -0.53 0.00 0.00 176.83 177.53 1wi3 h PHE 25 N 1.03 1.08 -0.46 2.24 3.04 -1.42 -0.16 116.94 122.29 1wi3 h PHE 25 Ca 0.35 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 1wi3 h PHE 25 Cb 0.06 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1wi3 h PHE 25 CO -0.03 0.73 0.22 0.82 -2.02 0.00 0.00 178.31 178.04 1wi3 h ILE 26 N 1.12 1.18 0.00 1.41 2.04 -0.69 0.98 117.51 123.56 1wi3 h ILE 26 Ca 0.29 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1wi3 h ILE 26 Cb -0.01 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1wi3 h ILE 26 CO -0.05 0.20 0.00 1.57 0.00 0.00 0.00 178.15 179.87 1wi3 n HIS 27 N -4.64 0.03 -0.09 1.37 -0.00 -0.72 0.19 115.22 111.36 1wi3 n HIS 27 Ca 0.01 0.01 -0.11 0.00 0.46 0.00 0.00 57.72 58.09 1wi3 n HIS 27 Cb 0.11 -0.52 -0.04 0.00 -0.12 0.00 0.00 29.99 29.42 1wi3 n HIS 27 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1wi3 n ASP 28 N -1.52 1.87 -0.08 0.26 9.92 -0.13 -4.68 116.55 122.19 1wi3 n ASP 28 Ca 0.04 0.49 -0.15 0.00 -0.53 0.00 0.00 54.79 54.65 1wi3 n ASP 28 Cb 0.22 -0.84 -0.12 0.00 -0.64 0.00 0.00 41.12 39.74 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1wi3 h VAL 29 N -1.00 1.50 0.00 2.53 -1.51 0.91 -3.51 116.25 115.17 1wi3 h VAL 29 Ca -0.12 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.13 1wi3 h VAL 29 Cb 0.87 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1wi3 h VAL 29 CO -0.07 0.51 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 1wi3 n GLY 30 N 1.58 0.49 2.60 5.19 0.00 0.49 -4.91 105.19 110.63 1wi3 n GLY 30 Ca -0.14 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 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 2.88 -2.73 0.99 4.77 -1.26 -4.33 117.00 117.33 1wi3 n LEU 31 Ca 0.00 -5.30 -0.08 0.00 -0.03 0.00 0.00 56.01 50.61 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 2.29 0.35 -1.22 -1.33 0.00 0.00 177.39 177.48 1wi3 n TYR 32 N -0.04 -2.64 -1.54 -1.77 4.01 -1.26 -5.02 117.16 108.90 1wi3 n TYR 32 Ca 0.28 -1.79 -0.29 0.00 -0.16 0.00 0.00 57.90 55.94 1wi3 n TYR 32 Cb 0.53 1.54 0.13 0.00 -0.31 0.00 0.00 39.34 41.24 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 0.37 1.16 0.32 -0.72 0.04 -1.26 -5.09 135.00 129.82 1wi3 s PRO 33 Ca 0.25 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.65 1wi3 s PRO 33 Cb 0.27 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.90 1wi3 s PRO 33 CO -0.13 -2.18 -0.04 -0.51 0.04 0.00 0.00 177.00 174.18 1wi3 s ASP 34 N -4.03 3.09 0.60 6.66 1.11 -1.26 -4.94 116.67 117.89 1wi3 s ASP 34 Ca 0.64 -1.25 0.30 0.00 0.18 0.00 0.00 52.55 52.42 1wi3 s ASP 34 Cb -0.15 -0.23 1.21 0.00 1.07 0.00 0.00 42.92 44.82 1wi3 s ASP 34 CO 0.53 -0.37 1.54 1.56 1.18 0.00 0.00 175.17 179.62 1wi3 h GLN 35 N 2.12 0.00 0.02 8.23 1.08 -1.98 0.69 115.11 125.27 1wi3 h GLN 35 Ca -0.41 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1wi3 h GLN 35 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1wi3 h GLN 35 CO 0.70 0.00 -0.01 1.49 -0.95 0.00 0.00 178.83 180.06 1wi3 h GLU 36 N 0.00 -0.03 -0.66 1.46 4.81 -1.98 -2.07 114.58 116.12 1wi3 h GLU 36 Ca 0.44 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.71 1wi3 h GLU 36 Cb 2.40 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.74 1wi3 h GLU 36 CO -0.00 0.72 0.40 0.00 -0.73 0.00 0.00 179.01 179.39 1wi3 h ALA 37 N -0.05 0.86 -0.88 2.92 0.00 -0.16 -0.45 119.26 121.50 1wi3 h ALA 37 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wi3 h ALA 37 Cb 0.76 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1wi3 h ALA 37 CO 0.00 0.13 0.49 0.82 0.00 0.00 0.00 179.25 180.69 1wi3 h ILE 38 N 0.77 1.26 -0.53 0.00 2.04 -0.73 -0.15 117.51 120.17 1wi3 h ILE 38 Ca 0.27 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1wi3 h ILE 38 Cb 0.06 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1wi3 h ILE 38 CO -0.12 0.29 0.30 -0.74 0.00 0.00 0.00 178.15 177.87 1wi3 h HIS 39 N 1.24 0.70 -0.06 1.37 2.76 -0.46 0.42 115.15 121.12 1wi3 h HIS 39 Ca 0.31 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.32 1wi3 h HIS 39 Cb 0.03 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1wi3 h HIS 39 CO 0.01 0.48 -0.67 1.15 -1.30 0.00 0.00 177.93 177.60 1wi3 h THR 40 N 0.73 1.40 -0.06 6.26 2.02 0.03 -1.78 112.91 121.51 1wi3 h THR 40 Ca 0.19 -2.11 -0.21 0.00 0.77 0.00 0.00 66.41 65.05 1wi3 h THR 40 Cb 0.00 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1wi3 h THR 40 CO -0.03 0.62 -0.84 -0.07 0.37 0.00 0.00 175.52 175.57 1wi3 h LEU 41 N 0.19 0.61 -0.88 2.58 3.38 0.12 0.58 115.31 121.90 1wi3 h LEU 41 Ca -0.02 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1wi3 h LEU 41 Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1wi3 h LEU 41 CO 0.11 1.22 0.00 -1.28 0.09 0.00 0.00 178.44 178.57 1wi3 h SER 42 N 0.31 0.00 0.00 -0.43 0.87 -0.11 -2.33 113.55 111.87 1wi3 h SER 42 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wi3 h SER 42 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1wi3 h SER 42 CO 0.15 0.00 -0.19 0.00 -0.53 0.00 0.00 176.83 176.26 1wi3 n ALA 43 N -1.99 0.16 -0.33 6.23 0.00 -0.68 -0.67 120.51 123.24 1wi3 n ALA 43 Ca 0.02 -0.32 0.25 0.00 0.00 0.00 0.00 53.44 53.39 1wi3 n ALA 43 Cb 0.34 0.01 0.48 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.22 0.04 0.00 0.00 4.15 0.04 0.81 115.11 119.93 1wi3 h GLN 44 Ca 0.00 -0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.10 1wi3 h GLN 44 Cb 0.19 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1wi3 h GLN 44 CO 0.00 0.03 -1.91 1.28 -1.93 0.00 0.00 178.83 176.30 1wi3 n LEU 45 N -5.31 0.67 0.00 -2.39 4.77 -0.88 -4.97 117.00 108.89 1wi3 n LEU 45 Ca 0.32 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1wi3 n LEU 45 Cb 1.08 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.40 1wi3 n LEU 45 CO -0.00 0.43 0.00 -0.67 -1.33 0.00 0.00 177.39 175.81 1wi3 n ASP 46 N -2.97 -1.95 -4.98 -1.43 2.03 0.28 -5.03 116.55 102.50 1wi3 n ASP 46 Ca -0.22 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.89 1wi3 n ASP 46 Cb 1.08 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.00 4.11 0.74 -2.67 1.43 0.15 -4.89 118.68 117.56 1wi3 s LEU 47 Ca 0.00 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1wi3 s LEU 47 Cb 0.00 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1wi3 s LEU 47 CO 0.00 -0.28 1.08 -2.16 0.23 0.00 0.00 176.35 175.22 1wi3 s PRO 48 N -4.11 2.56 0.02 1.29 0.04 -1.26 -3.95 135.00 129.59 1wi3 s PRO 48 Ca 0.40 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1wi3 s PRO 48 Cb -0.09 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 1wi3 s PRO 48 CO 0.31 -1.33 1.39 0.87 0.04 0.00 0.00 177.00 178.27 1wi3 h LYS 49 N -0.88 -0.18 -0.47 4.56 1.57 -1.93 -1.67 116.57 117.57 1wi3 h LYS 49 Ca -0.45 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1wi3 h LYS 49 Cb 1.24 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 1wi3 h LYS 49 CO 0.58 0.12 -0.20 1.12 -0.57 0.00 0.00 179.45 180.51 1wi3 h HIS 50 N -0.48 -0.49 -0.01 -1.35 2.07 -1.97 1.56 115.15 114.49 1wi3 h HIS 50 Ca -0.02 0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.58 1wi3 h HIS 50 Cb 0.38 0.29 -0.05 0.00 2.57 0.00 0.00 27.41 30.60 1wi3 h HIS 50 CO 0.02 -0.28 -0.26 1.15 -3.07 0.00 0.00 177.93 175.49 1wi3 h THR 51 N -0.09 0.40 0.14 6.12 2.02 -1.93 1.48 112.91 121.05 1wi3 h THR 51 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1wi3 h THR 51 Cb 0.44 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1wi3 h THR 51 CO -0.54 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 175.68 1wi3 h ILE 52 N -0.40 0.85 0.46 3.11 2.04 -0.23 -0.51 117.51 122.83 1wi3 h ILE 52 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1wi3 h ILE 52 Cb 0.49 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1wi3 h ILE 52 CO -0.24 0.00 -0.51 0.40 0.00 0.00 0.00 178.15 177.80 1wi3 h ILE 53 N -0.20 0.00 -0.67 -0.67 2.04 0.26 -0.99 117.51 117.29 1wi3 h ILE 53 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1wi3 h ILE 53 Cb 0.16 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.14 1wi3 h ILE 53 CO 0.02 0.00 -0.52 0.11 0.00 0.00 0.00 178.15 177.76 1wi3 h LYS 54 N -0.98 -0.15 -0.77 2.37 6.56 0.22 0.24 116.57 124.06 1wi3 h LYS 54 Ca -0.06 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.67 1wi3 h LYS 54 Cb 0.86 0.03 -0.14 0.00 -0.57 0.00 0.00 32.23 32.42 1wi3 h LYS 54 CO -0.09 -0.10 -0.33 0.35 -2.06 0.00 0.00 179.45 177.22 1wi3 h PHE 55 N -0.16 -0.91 -0.26 -1.35 3.57 -0.80 0.12 116.94 117.16 1wi3 h PHE 55 Ca 0.11 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1wi3 h PHE 55 Cb 0.44 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1wi3 h PHE 55 CO -0.89 -0.39 -0.04 0.74 -2.23 0.00 0.00 178.31 175.50 1wi3 h PHE 56 N -0.08 -0.10 -1.59 0.41 0.04 0.61 -0.21 116.94 116.02 1wi3 h PHE 56 Ca 0.30 0.02 0.47 0.00 2.80 0.00 0.00 57.97 61.56 1wi3 h PHE 56 Cb 0.58 0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.73 1wi3 h PHE 56 CO -0.72 -0.09 1.12 1.96 -0.60 0.00 0.00 178.31 179.98 1wi3 h GLN 57 N 0.02 0.03 0.16 1.51 4.20 0.21 1.36 115.11 122.59 1wi3 h GLN 57 Ca 0.12 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.61 1wi3 h GLN 57 Cb 0.18 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.98 1wi3 h GLN 57 CO -0.25 0.02 -1.02 -0.97 -0.67 0.00 0.00 178.83 175.95 1wi3 h ASN 58 N 0.03 0.52 -0.29 1.46 -0.73 -0.71 -3.34 115.58 112.51 1wi3 h ASN 58 Ca 0.80 -0.93 0.06 0.00 1.87 0.00 0.00 56.30 58.10 1wi3 h ASN 58 Cb 3.04 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 41.38 1wi3 h ASN 58 CO -0.10 1.48 -0.37 1.56 -0.37 0.00 0.00 177.43 179.63 1wi3 h GLN 59 N -0.28 -0.34 -0.15 6.67 1.08 0.24 -2.08 115.11 120.25 1wi3 h GLN 59 Ca -0.19 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1wi3 h GLN 59 Cb 1.75 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.24 1wi3 h GLN 59 CO 0.16 -0.22 -0.09 0.54 -0.95 0.00 0.00 178.83 178.26 1wi3 n ARG 60 N -5.42 -0.07 -0.33 1.46 1.74 -0.41 0.82 116.66 114.46 1wi3 n ARG 60 Ca -0.01 1.03 0.24 0.00 -0.77 0.00 0.00 57.85 58.34 1wi3 n ARG 60 Cb 0.34 -1.54 0.48 0.00 -1.02 0.00 0.00 32.46 30.72 1wi3 n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1wi3 h TYR 61 N 0.00 0.82 -1.45 -1.55 3.20 -1.59 -2.89 116.97 113.51 1wi3 h TYR 61 Ca 0.02 0.04 -0.71 0.00 3.14 0.00 0.00 58.73 61.23 1wi3 h TYR 61 Cb 0.06 -0.20 -0.12 0.00 1.54 0.00 0.00 36.73 38.01 1wi3 h TYR 61 CO -0.91 -0.26 1.84 0.72 -1.64 0.00 0.00 178.16 177.91 1wi3 n HIS 62 N -5.13 4.75 -3.68 -3.82 8.25 0.24 -4.87 115.22 110.96 1wi3 n HIS 62 Ca 0.32 -3.08 -0.10 0.00 -0.26 0.00 0.00 57.72 54.60 1wi3 n HIS 62 Cb 1.02 -2.42 -0.09 0.00 1.12 0.00 0.00 29.99 29.62 1wi3 n HIS 62 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wi3 s VAL 63 N 2.91 -0.01 0.51 1.59 1.01 -1.09 -4.85 120.40 120.45 1wi3 s VAL 63 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1wi3 s VAL 63 Cb 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1wi3 s VAL 63 CO 0.04 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.45 1wi3 n LYS 64 N 4.09 -3.21 0.00 2.72 4.76 -1.26 -4.66 118.16 120.60 1wi3 n LYS 64 Ca -0.21 2.54 0.00 0.00 -2.87 0.00 0.00 58.31 57.77 1wi3 n LYS 64 Cb 0.57 -3.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.43 1wi3 n LYS 64 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1wi3 n HIS 65 N -3.01 0.00 -3.60 2.13 8.25 -1.26 -4.68 115.22 113.04 1wi3 n HIS 65 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 1wi3 n HIS 65 Cb 0.47 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 1wi3 n HIS 65 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wi3 s SER 66 N 0.00 5.61 0.26 0.41 0.01 -1.26 -5.07 113.70 113.66 1wi3 s SER 66 Ca 0.00 -1.79 -0.30 0.00 1.31 0.00 0.00 55.95 55.17 1wi3 s SER 66 Cb 0.00 -1.97 -0.11 0.00 0.21 0.00 0.00 66.02 64.15 1wi3 s SER 66 CO 0.00 -0.62 1.55 -0.83 0.41 0.00 0.00 173.24 173.75 1wi3 s GLY 67 N 2.36 2.05 -1.18 3.44 0.00 -1.26 -4.50 107.32 108.23 1wi3 s GLY 67 Ca 0.05 1.46 -0.07 0.00 0.00 0.00 0.00 44.72 46.16 1wi3 s GLY 67 CO -0.00 2.49 2.48 -1.55 0.00 0.00 0.00 173.10 176.52 1wi3 n PRO 68 N 2.58 2.73 -3.15 2.90 -0.04 -1.26 -4.62 135.00 134.14 1wi3 n PRO 68 Ca 0.09 -1.74 -0.15 0.00 -0.04 0.00 0.00 63.50 61.66 1wi3 n PRO 68 Cb 0.38 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.28 1wi3 n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wi3 n SER 69 N 3.90 -6.72 -4.34 3.54 7.64 -1.26 -4.89 113.62 111.49 1wi3 n SER 69 Ca 0.58 0.42 -0.45 0.00 1.01 0.00 0.00 58.87 60.43 1wi3 n SER 69 Cb 0.19 -2.97 -0.05 0.00 -1.01 0.00 0.00 64.21 60.37 1wi3 n SER 69 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi3 s SER 70 N -1.57 6.18 0.00 6.43 0.15 -1.26 -5.32 113.70 118.32 1wi3 s SER 70 Ca 0.18 -1.64 0.31 0.00 0.70 0.00 0.00 55.95 55.50 1wi3 s SER 70 Cb -0.03 -2.22 1.74 0.00 -1.71 0.00 0.00 66.02 63.80 1wi3 s SER 70 CO 0.58 -0.86 2.13 0.61 1.20 0.00 0.00 173.24 176.90