#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 5.26 -0.29 1.61 0.15 -1.26 -4.85 113.70 114.32 1wi3 s SER 2 Ca 0.00 -0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.35 1wi3 s SER 2 Cb 0.00 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.90 1wi3 s SER 2 CO 0.00 -2.50 0.97 -0.55 1.20 0.00 0.00 173.24 172.37 1wi3 s SER 3 N 7.94 -0.52 0.00 5.45 0.15 -1.26 -5.14 113.70 120.33 1wi3 s SER 3 Ca 0.67 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1wi3 s SER 3 Cb -0.10 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wi3 s SER 3 CO 0.12 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1wi3 n GLY 4 N 3.17 0.50 2.08 9.45 0.00 -1.26 -5.13 105.19 114.01 1wi3 n GLY 4 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi3 n SER 5 N 0.00 -8.16 -4.87 1.61 2.88 -1.26 -4.99 113.62 98.83 1wi3 n SER 5 Ca 0.00 1.51 -0.30 0.00 -1.33 0.00 0.00 58.87 58.74 1wi3 n SER 5 Cb 0.00 -4.43 -0.03 0.00 -0.75 0.00 0.00 64.21 59.00 1wi3 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi3 s SER 6 N -0.49 6.53 -0.70 -3.46 0.15 -1.26 -4.91 113.70 109.56 1wi3 s SER 6 Ca 0.00 1.14 -0.33 0.00 0.70 0.00 0.00 55.95 57.46 1wi3 s SER 6 Cb 0.00 -2.33 -0.17 0.00 -1.71 0.00 0.00 66.02 61.82 1wi3 s SER 6 CO 0.00 -0.39 2.46 0.61 1.20 0.00 0.00 173.24 177.11 1wi3 n GLY 7 N -1.27 -0.13 0.13 9.45 0.00 -1.26 -4.78 105.19 107.33 1wi3 n GLY 7 Ca 0.02 1.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.90 1wi3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi3 h PRO 8 N 12.93 0.35 0.00 1.61 0.13 -2.02 -3.45 132.00 141.54 1wi3 h PRO 8 Ca -0.13 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wi3 h PRO 8 Cb 1.32 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1wi3 h PRO 8 CO 1.23 1.01 -0.02 -2.13 -0.23 0.00 0.00 178.00 177.86 1wi3 n ARG 9 N -4.34 0.00 -3.31 0.86 0.63 -1.26 -5.10 116.66 104.14 1wi3 n ARG 9 Ca -0.09 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.69 1wi3 n ARG 9 Cb 0.58 -0.05 0.01 0.00 0.45 0.00 0.00 32.46 33.46 1wi3 n ARG 9 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1wi3 n SER 10 N -3.32 -6.16 0.04 6.15 3.41 -1.26 -4.88 113.62 107.60 1wi3 n SER 10 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1wi3 n SER 10 Cb 0.01 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 1wi3 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wi3 n ARG 11 N 0.74 0.00 -1.51 4.33 3.00 -1.26 -5.12 116.66 116.84 1wi3 n ARG 11 Ca -0.03 0.00 -0.52 0.00 -0.00 0.00 0.00 57.85 57.29 1wi3 n ARG 11 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.98 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 -2.64 0.79 -2.34 5.15 5.66 -1.26 -4.91 114.28 114.73 1wi3 n THR 12 Ca 0.00 -0.20 -0.32 0.00 -3.05 0.00 0.00 64.05 60.48 1wi3 n THR 12 Cb 0.00 -0.37 -0.03 0.00 -1.55 0.00 0.00 70.33 68.38 1wi3 n THR 12 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wi3 s LYS 13 N -0.35 3.86 0.04 1.09 2.20 -1.26 -4.98 119.74 120.35 1wi3 s LYS 13 Ca 0.78 0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.07 1wi3 s LYS 13 Cb -1.01 -2.12 -0.07 0.00 -1.51 0.00 0.00 37.83 33.11 1wi3 s LYS 13 CO 0.54 -0.35 1.60 0.42 -0.36 0.00 0.00 175.35 177.21 1wi3 s ILE 14 N -2.61 3.24 0.30 5.43 1.01 -1.26 -4.87 121.20 122.45 1wi3 s ILE 14 Ca 0.59 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.90 1wi3 s ILE 14 Cb -0.11 -3.41 0.37 0.00 0.01 0.00 0.00 42.46 39.32 1wi3 s ILE 14 CO 0.32 -0.01 1.60 0.28 0.00 0.00 0.00 174.94 177.13 1wi3 h SER 15 N 8.36 -0.30 0.00 3.58 0.02 -2.01 -3.46 113.55 119.74 1wi3 h SER 15 Ca -0.41 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1wi3 h SER 15 Cb 1.19 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1wi3 h SER 15 CO 0.93 -0.29 0.00 -0.11 -1.14 0.00 0.00 176.83 176.22 1wi3 n LEU 16 N -5.39 0.00 0.00 5.07 7.94 -1.26 -5.03 117.00 118.33 1wi3 n LEU 16 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1wi3 n LEU 16 Cb 0.73 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.68 1wi3 n LEU 16 CO -0.01 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.79 1wi3 n GLU 17 N 0.00 0.00 -0.19 1.96 1.02 -1.26 0.14 120.64 122.31 1wi3 n GLU 17 Ca 0.00 0.29 -0.03 0.00 -0.02 0.00 0.00 57.16 57.40 1wi3 n GLU 17 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.35 -0.19 0.02 0.62 0.00 -1.26 0.15 120.51 118.51 1wi3 n ALA 18 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 1wi3 n ALA 18 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.22 -0.85 0.00 5.85 -1.21 -0.57 115.31 118.31 1wi3 h LEU 19 Ca 0.11 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.08 1wi3 h LEU 19 Cb 0.23 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.20 1wi3 h LEU 19 CO -0.45 -0.09 0.16 1.23 -0.34 0.00 0.00 178.44 178.96 1wi3 h GLY 20 N -0.12 1.22 -0.04 3.75 0.00 0.71 1.20 103.07 109.79 1wi3 h GLY 20 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1wi3 h GLY 20 CO -0.03 -0.36 -0.32 -2.22 0.00 0.00 0.00 176.54 173.61 1wi3 h ILE 21 N 0.16 0.00 -0.56 2.60 2.04 0.20 1.40 117.51 123.36 1wi3 h ILE 21 Ca 0.52 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.36 1wi3 h ILE 21 Cb 1.02 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1wi3 h ILE 21 CO -0.68 0.00 0.27 0.17 0.00 0.00 0.00 178.15 177.91 1wi3 h LEU 22 N -0.37 0.70 -0.20 1.44 8.10 0.32 -2.35 115.31 122.95 1wi3 h LEU 22 Ca 0.01 -0.07 0.03 0.00 0.11 0.00 0.00 57.88 57.96 1wi3 h LEU 22 Cb 0.41 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 40.43 1wi3 h LEU 22 CO -0.23 0.60 0.03 -0.61 -4.11 0.00 0.00 178.44 174.11 1wi3 h GLN 23 N 0.78 0.10 -0.82 0.17 -0.00 0.29 -1.12 115.11 114.51 1wi3 h GLN 23 Ca 0.19 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.92 1wi3 h GLN 23 Cb 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 27.48 27.47 1wi3 h GLN 23 CO -0.03 0.06 0.47 1.03 0.00 0.00 0.00 178.83 180.37 1wi3 h SER 24 N 0.10 0.69 -0.21 -0.69 0.87 0.23 0.47 113.55 115.02 1wi3 h SER 24 Ca 0.09 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1wi3 h SER 24 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1wi3 h SER 24 CO -0.13 0.41 0.08 0.15 -0.53 0.00 0.00 176.83 176.81 1wi3 h PHE 25 N 0.81 0.37 -0.40 2.24 3.04 -0.98 -0.67 116.94 121.36 1wi3 h PHE 25 Ca 0.39 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.28 1wi3 h PHE 25 Cb 0.31 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1wi3 h PHE 25 CO -0.06 0.32 0.07 0.82 -2.02 0.00 0.00 178.31 177.44 1wi3 h ILE 26 N 0.38 1.24 0.00 1.41 2.04 0.29 0.82 117.51 123.69 1wi3 h ILE 26 Ca 0.09 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1wi3 h ILE 26 Cb 0.12 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1wi3 h ILE 26 CO -0.01 0.30 0.00 1.57 0.00 0.00 0.00 178.15 180.01 1wi3 n HIS 27 N -4.52 0.22 -0.08 1.37 -0.00 -0.80 0.19 115.22 111.60 1wi3 n HIS 27 Ca -0.01 0.08 -0.09 0.00 0.46 0.00 0.00 57.72 58.17 1wi3 n HIS 27 Cb 0.23 -0.63 -0.03 0.00 -0.12 0.00 0.00 29.99 29.44 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 -1.70 1.84 -0.08 0.26 9.92 -0.33 -4.68 116.55 121.79 1wi3 n ASP 28 Ca 0.04 0.54 -0.17 0.00 -0.53 0.00 0.00 54.79 54.67 1wi3 n ASP 28 Cb 0.25 -0.86 -0.12 0.00 -0.64 0.00 0.00 41.12 39.75 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 1.42 0.00 2.53 -1.51 0.59 -3.51 116.25 114.77 1wi3 h VAL 29 Ca -0.08 -2.28 0.00 0.00 -1.23 0.00 0.00 66.70 63.11 1wi3 h VAL 29 Cb 0.75 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 1wi3 h VAL 29 CO -0.05 0.49 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 1wi3 n GLY 30 N 1.54 0.62 2.67 5.19 0.00 0.50 -4.90 105.19 110.82 1wi3 n GLY 30 Ca -0.19 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 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 3.76 -2.78 0.99 4.77 -1.26 -4.24 117.00 118.24 1wi3 n LEU 31 Ca 0.00 -5.28 -0.10 0.00 -0.03 0.00 0.00 56.01 50.60 1wi3 n LEU 31 Cb 0.00 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1wi3 n LEU 31 CO 0.00 2.25 0.25 -1.22 -1.33 0.00 0.00 177.39 177.34 1wi3 n TYR 32 N -0.22 -2.75 -1.52 -1.77 4.01 -1.26 -5.07 117.16 108.59 1wi3 n TYR 32 Ca 0.30 -2.17 -0.30 0.00 -0.16 0.00 0.00 57.90 55.57 1wi3 n TYR 32 Cb 0.54 1.44 0.21 0.00 -0.31 0.00 0.00 39.34 41.23 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 0.17 -0.27 0.19 -0.72 0.04 -1.26 -5.10 135.00 128.06 1wi3 s PRO 33 Ca 0.26 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.10 1wi3 s PRO 33 Cb 0.28 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 33.04 1wi3 s PRO 33 CO -0.11 -3.05 -0.05 -0.51 0.04 0.00 0.00 177.00 173.32 1wi3 s ASP 34 N -4.40 1.85 0.58 6.66 1.01 -1.26 -4.96 116.67 116.15 1wi3 s ASP 34 Ca 0.72 -1.12 0.40 0.00 0.71 0.00 0.00 52.55 53.26 1wi3 s ASP 34 Cb -0.07 -0.01 1.42 0.00 1.01 0.00 0.00 42.92 45.27 1wi3 s ASP 34 CO 0.54 -0.42 1.51 1.56 0.21 0.00 0.00 175.17 178.58 1wi3 h GLN 35 N 2.61 0.00 0.03 8.23 4.20 -1.98 1.02 115.11 129.22 1wi3 h GLN 35 Ca -0.38 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1wi3 h GLN 35 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1wi3 h GLN 35 CO 0.64 0.00 -0.02 1.49 -0.67 0.00 0.00 178.83 180.27 1wi3 h GLU 36 N 0.00 -0.05 -0.92 1.46 4.81 -1.98 -1.61 114.58 116.30 1wi3 h GLU 36 Ca 0.71 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 60.00 1wi3 h GLU 36 Cb 3.23 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 32.56 1wi3 h GLU 36 CO -0.01 0.63 0.59 0.00 -0.73 0.00 0.00 179.01 179.49 1wi3 h ALA 37 N -0.12 1.24 -0.32 2.92 0.00 0.48 -0.84 119.26 122.63 1wi3 h ALA 37 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wi3 h ALA 37 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wi3 h ALA 37 CO 0.01 0.40 0.10 0.82 0.00 0.00 0.00 179.25 180.58 1wi3 h ILE 38 N 1.11 1.20 -1.00 0.00 2.04 -0.50 -1.50 117.51 118.86 1wi3 h ILE 38 Ca 0.38 -0.66 0.13 0.00 1.00 0.00 0.00 64.86 65.71 1wi3 h ILE 38 Cb 0.09 1.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 1wi3 h ILE 38 CO -0.15 0.22 0.63 -0.74 0.00 0.00 0.00 178.15 178.12 1wi3 h HIS 39 N 0.36 1.13 -0.39 1.37 2.76 -0.28 0.57 115.15 120.68 1wi3 h HIS 39 Ca 0.10 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1wi3 h HIS 39 Cb 0.25 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1wi3 h HIS 39 CO 0.01 0.41 -0.16 1.15 -1.30 0.00 0.00 177.93 178.04 1wi3 h THR 40 N 0.96 1.26 -0.20 6.26 2.02 -0.71 0.01 112.91 122.50 1wi3 h THR 40 Ca 0.51 -1.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.31 1wi3 h THR 40 Cb 0.56 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1wi3 h THR 40 CO -0.29 0.41 -0.53 -0.07 0.37 0.00 0.00 175.52 175.41 1wi3 h LEU 41 N 0.66 0.64 -0.46 2.58 3.38 0.28 0.91 115.31 123.29 1wi3 h LEU 41 Ca 0.10 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wi3 h LEU 41 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wi3 h LEU 41 CO 0.04 1.05 0.00 -1.28 0.09 0.00 0.00 178.44 178.34 1wi3 h SER 42 N 0.45 0.00 0.00 -0.43 0.87 0.34 -2.50 113.55 112.28 1wi3 h SER 42 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wi3 h SER 42 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1wi3 h SER 42 CO 0.10 0.00 -0.29 0.00 -0.53 0.00 0.00 176.83 176.12 1wi3 n ALA 43 N -1.87 0.25 -0.32 6.23 0.00 -0.04 -0.95 120.51 123.80 1wi3 n ALA 43 Ca 0.03 -0.38 0.19 0.00 0.00 0.00 0.00 53.44 53.28 1wi3 n ALA 43 Cb 0.36 0.01 0.38 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.32 0.09 0.00 0.00 4.15 0.71 0.69 115.11 120.43 1wi3 h GLN 44 Ca 0.00 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.18 1wi3 h GLN 44 Cb 0.29 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1wi3 h GLN 44 CO 0.00 0.06 -1.67 1.28 -1.93 0.00 0.00 178.83 176.57 1wi3 n LEU 45 N -5.31 0.72 -0.00 -2.39 4.77 -0.94 -4.96 117.00 108.87 1wi3 n LEU 45 Ca 0.27 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1wi3 n LEU 45 Cb 0.89 0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1wi3 n LEU 45 CO 0.01 0.27 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.67 1wi3 n ASP 46 N -2.90 -2.48 -4.97 -1.43 -0.08 0.24 -5.03 116.55 99.90 1wi3 n ASP 46 Ca -0.15 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.92 1wi3 n ASP 46 Cb 0.95 -0.51 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 1wi3 n ASP 46 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wi3 s LEU 47 N -0.01 3.93 0.68 -2.67 1.43 -0.13 -4.88 118.68 117.03 1wi3 s LEU 47 Ca 0.00 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1wi3 s LEU 47 Cb 0.00 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1wi3 s LEU 47 CO 0.00 -0.44 1.06 -2.16 0.23 0.00 0.00 176.35 175.04 1wi3 s PRO 48 N -4.29 3.01 0.05 1.29 0.04 -1.26 -3.96 135.00 129.88 1wi3 s PRO 48 Ca 0.43 0.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1wi3 s PRO 48 Cb -0.10 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1wi3 s PRO 48 CO 0.34 -1.05 1.52 0.87 0.04 0.00 0.00 177.00 178.73 1wi3 h LYS 49 N -0.54 -0.47 -0.65 4.56 1.57 -1.93 -1.85 116.57 117.25 1wi3 h LYS 49 Ca -0.44 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1wi3 h LYS 49 Cb 1.21 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.51 1wi3 h LYS 49 CO 0.57 -0.24 -0.03 1.12 -0.57 0.00 0.00 179.45 180.30 1wi3 h HIS 50 N -0.61 -0.11 -0.02 -1.35 2.07 -1.97 1.22 115.15 114.38 1wi3 h HIS 50 Ca -0.05 0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.56 1wi3 h HIS 50 Cb 0.44 0.15 -0.05 0.00 2.57 0.00 0.00 27.41 30.52 1wi3 h HIS 50 CO -0.02 -0.21 -0.30 1.15 -3.07 0.00 0.00 177.93 175.47 1wi3 h THR 51 N 0.09 0.33 0.34 6.12 2.02 -1.89 1.31 112.91 121.22 1wi3 h THR 51 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1wi3 h THR 51 Cb 0.56 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1wi3 h THR 51 CO -0.59 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 175.54 1wi3 h ILE 52 N -0.44 0.68 0.05 3.11 2.04 -0.24 -1.24 117.51 121.46 1wi3 h ILE 52 Ca 0.07 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1wi3 h ILE 52 Cb 0.54 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1wi3 h ILE 52 CO -0.27 0.03 -0.34 0.40 0.00 0.00 0.00 178.15 177.97 1wi3 h ILE 53 N -0.55 0.00 -0.41 -0.67 2.04 0.18 -0.43 117.51 117.67 1wi3 h ILE 53 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1wi3 h ILE 53 Cb 0.41 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1wi3 h ILE 53 CO 0.08 0.00 -0.27 0.11 0.00 0.00 0.00 178.15 178.07 1wi3 h LYS 54 N -0.47 -0.03 -0.63 2.37 6.56 0.17 -0.80 116.57 123.74 1wi3 h LYS 54 Ca -0.00 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1wi3 h LYS 54 Cb 0.48 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.07 1wi3 h LYS 54 CO -0.20 -0.02 -0.37 0.34 -2.06 0.00 0.00 179.45 177.13 1wi3 n PHE 55 N -4.01 -0.28 -0.37 -1.35 7.35 -0.47 -0.72 117.46 117.60 1wi3 n PHE 55 Ca 0.00 0.79 -0.07 0.00 -0.76 0.00 0.00 57.45 57.42 1wi3 n PHE 55 Cb 0.13 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 39.37 1wi3 n PHE 55 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1wi3 h PHE 56 N 0.00 -1.54 -1.00 -5.13 0.04 0.25 0.43 116.94 109.99 1wi3 h PHE 56 Ca 0.10 0.11 0.21 0.00 2.80 0.00 0.00 57.97 61.19 1wi3 h PHE 56 Cb 0.26 0.80 -0.19 0.00 2.20 0.00 0.00 35.95 39.02 1wi3 h PHE 56 CO -0.96 -0.39 -0.22 1.96 -0.60 0.00 0.00 178.31 178.10 1wi3 h GLN 57 N -0.04 0.00 -0.56 1.51 1.08 0.36 1.44 115.11 118.90 1wi3 h GLN 57 Ca 0.22 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1wi3 h GLN 57 Cb 0.50 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1wi3 h GLN 57 CO -0.92 0.00 0.26 -0.97 -0.95 0.00 0.00 178.83 176.26 1wi3 h ASN 58 N 0.00 0.74 -0.47 1.46 -0.73 0.19 -0.78 115.58 116.00 1wi3 h ASN 58 Ca 0.50 -0.14 0.08 0.00 1.87 0.00 0.00 56.30 58.61 1wi3 h ASN 58 Cb 0.79 -0.19 -0.10 0.00 0.27 0.00 0.00 38.32 39.09 1wi3 h ASN 58 CO -1.02 0.67 -0.37 -0.61 -0.37 0.00 0.00 177.43 175.74 1wi3 h GLN 59 N 0.76 -0.24 0.81 6.67 -0.00 0.35 0.24 115.11 123.71 1wi3 h GLN 59 Ca 0.19 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.82 1wi3 h GLN 59 Cb 0.14 0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.68 1wi3 h GLN 59 CO -0.02 -0.16 -0.39 0.00 0.00 0.00 0.00 178.83 178.26 1wi3 h ARG 60 N -0.25 -1.05 -1.61 1.69 3.08 -1.01 0.22 114.38 115.45 1wi3 h ARG 60 Ca 0.18 0.07 0.47 0.00 0.07 0.00 0.00 59.98 60.77 1wi3 h ARG 60 Cb 0.56 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1wi3 h ARG 60 CO -0.60 -0.70 1.25 -0.92 -1.07 0.00 0.00 179.97 177.93 1wi3 h TYR 61 N -1.26 0.00 0.00 3.04 5.03 -0.73 0.43 116.97 123.48 1wi3 h TYR 61 Ca -0.11 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1wi3 h TYR 61 Cb 0.83 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.11 1wi3 h TYR 61 CO 0.01 0.00 -0.23 0.45 -1.32 0.00 0.00 178.16 177.06 1wi3 h HIS 62 N 0.00 0.00 -4.24 -3.82 3.86 -0.16 -3.47 115.15 107.32 1wi3 h HIS 62 Ca 0.76 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.46 1wi3 h HIS 62 Cb 3.26 0.00 0.20 0.00 1.06 0.00 0.00 27.41 31.92 1wi3 h HIS 62 CO 0.00 0.00 0.21 0.14 0.86 0.00 0.00 177.93 179.14 1wi3 s VAL 63 N -1.81 2.02 0.06 2.45 -7.23 0.73 -4.95 120.40 111.67 1wi3 s VAL 63 Ca -0.07 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1wi3 s VAL 63 Cb 0.01 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1wi3 s VAL 63 CO 0.10 -0.01 0.00 1.17 -0.31 0.00 0.00 175.10 176.05 1wi3 n LYS 64 N -4.28 0.00 -2.09 4.82 4.81 -1.26 -4.80 118.16 115.36 1wi3 n LYS 64 Ca 0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.13 1wi3 n LYS 64 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.55 1wi3 n LYS 64 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1wi3 s HIS 65 N -1.17 1.96 -0.09 5.64 3.76 -1.26 -4.95 115.29 119.18 1wi3 s HIS 65 Ca 0.00 0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 1wi3 s HIS 65 Cb 0.00 -4.18 0.03 0.00 1.11 0.00 0.00 32.58 29.54 1wi3 s HIS 65 CO 0.00 -2.68 0.29 -1.54 -0.85 0.00 0.00 174.74 169.95 1wi3 s SER 66 N 5.58 -0.27 -0.06 1.40 1.04 -1.26 -5.04 113.70 115.09 1wi3 s SER 66 Ca 0.74 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 57.64 1wi3 s SER 66 Cb -0.20 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1wi3 s SER 66 CO 0.33 -0.15 0.04 0.61 0.98 0.00 0.00 173.24 175.05 1wi3 n GLY 67 N 2.66 -3.44 3.57 7.32 0.00 -1.26 -4.86 105.19 109.18 1wi3 n GLY 67 Ca -0.14 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.75 3.14 -0.21 1.61 0.04 -1.26 -4.68 135.00 132.89 1wi3 s PRO 68 Ca -0.05 -0.99 -0.16 0.00 0.04 0.00 0.00 61.00 59.83 1wi3 s PRO 68 Cb 0.00 -5.27 -0.12 0.00 0.04 0.00 0.00 34.50 29.15 1wi3 s PRO 68 CO 0.20 -2.88 -0.11 0.43 0.04 0.00 0.00 177.00 174.69 1wi3 n SER 69 N 11.35 1.89 -3.12 6.66 7.64 -1.26 -5.05 113.62 131.72 1wi3 n SER 69 Ca 0.40 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.59 1wi3 n SER 69 Cb 0.48 -0.87 0.01 0.00 -1.01 0.00 0.00 64.21 62.82 1wi3 n SER 69 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wi3 n SER 70 N -4.42 -6.81 0.00 6.43 2.88 -1.26 -5.31 113.62 105.12 1wi3 n SER 70 Ca -0.31 0.50 0.05 0.00 -1.33 0.00 0.00 58.87 57.78 1wi3 n SER 70 Cb 0.63 -2.95 0.28 0.00 -0.75 0.00 0.00 64.21 61.41 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42