#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 0.11 -4.76 1.61 2.88 -1.26 -5.07 113.62 107.13 1wi3 n SER 2 Ca 0.00 0.35 -0.38 0.00 -1.33 0.00 0.00 58.87 57.51 1wi3 n SER 2 Cb 0.00 0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 1wi3 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wi3 s SER 3 N -5.21 6.85 0.49 -3.46 0.01 -1.26 -5.07 113.70 106.05 1wi3 s SER 3 Ca 0.00 1.01 -0.06 0.00 1.31 0.00 0.00 55.95 58.21 1wi3 s SER 3 Cb 0.00 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1wi3 s SER 3 CO 0.00 0.09 0.80 -0.83 0.41 0.00 0.00 173.24 173.72 1wi3 s GLY 4 N -0.01 1.54 -0.08 3.44 0.00 -1.26 -5.03 107.32 105.92 1wi3 s GLY 4 Ca 0.28 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 1wi3 s GLY 4 CO 0.14 -0.28 0.25 0.23 0.00 0.00 0.00 173.10 173.45 1wi3 h SER 5 N 0.25 -0.17 0.00 1.64 0.87 -2.07 -3.48 113.55 110.60 1wi3 h SER 5 Ca -0.47 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1wi3 h SER 5 Cb 1.20 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1wi3 h SER 5 CO 0.62 0.32 0.00 -0.24 -0.53 0.00 0.00 176.83 177.00 1wi3 n SER 6 N -4.91 -2.78 0.00 6.23 2.88 -1.26 -5.18 113.62 108.60 1wi3 n SER 6 Ca -0.03 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1wi3 n SER 6 Cb 0.09 2.67 0.00 0.00 -0.75 0.00 0.00 64.21 66.22 1wi3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi3 n GLY 7 N -0.46 -1.53 3.75 0.46 0.00 -1.26 -5.14 105.19 101.01 1wi3 n GLY 7 Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1wi3 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 8 N -1.37 4.61 -0.25 1.61 0.04 -1.26 -5.03 135.00 133.36 1wi3 s PRO 8 Ca 0.00 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1wi3 s PRO 8 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1wi3 s PRO 8 CO 0.00 0.12 0.12 0.50 0.04 0.00 0.00 177.00 177.78 1wi3 s ARG 9 N -0.73 3.88 0.38 4.56 3.52 -1.26 -5.09 118.95 124.21 1wi3 s ARG 9 Ca 0.48 -0.36 0.08 0.00 -0.13 0.00 0.00 55.73 55.79 1wi3 s ARG 9 Cb -0.30 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1wi3 s ARG 9 CO 0.37 -0.06 0.23 -1.54 -0.81 0.00 0.00 175.30 173.49 1wi3 s SER 10 N 1.35 4.78 0.09 -2.12 1.04 -1.26 -5.15 113.70 112.43 1wi3 s SER 10 Ca 0.06 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1wi3 s SER 10 Cb -0.15 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 1wi3 s SER 10 CO 0.06 -0.47 0.04 -0.13 0.98 0.00 0.00 173.24 173.72 1wi3 s ARG 11 N -3.96 0.78 0.40 4.02 3.00 -1.26 -5.11 118.95 116.81 1wi3 s ARG 11 Ca 0.42 -1.27 0.00 0.00 0.00 0.00 0.00 55.73 54.88 1wi3 s ARG 11 Cb -0.01 0.24 0.00 0.00 0.00 0.00 0.00 34.95 35.18 1wi3 s ARG 11 CO 0.25 -0.20 0.00 -2.37 0.00 0.00 0.00 175.30 172.98 1wi3 n THR 12 N 0.00 -0.32 -3.46 0.02 5.66 -1.26 -4.88 114.28 110.04 1wi3 n THR 12 Ca -0.11 0.51 -0.25 0.00 -3.05 0.00 0.00 64.05 61.15 1wi3 n THR 12 Cb 0.62 -0.86 -0.12 0.00 -1.55 0.00 0.00 70.33 68.42 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 -3.83 0.38 0.00 1.09 2.20 -1.26 -5.11 119.74 113.22 1wi3 s LYS 13 Ca 0.00 -0.74 -0.34 0.00 -0.36 0.00 0.00 55.97 54.54 1wi3 s LYS 13 Cb 0.00 -1.04 -0.12 0.00 -1.51 0.00 0.00 37.83 35.16 1wi3 s LYS 13 CO 0.00 -1.10 1.80 -0.89 -0.36 0.00 0.00 175.35 174.80 1wi3 n ILE 14 N 4.76 0.42 -0.33 5.43 5.41 -1.26 -4.81 119.36 128.98 1wi3 n ILE 14 Ca 0.03 -0.08 0.14 0.00 1.00 0.00 0.00 62.75 63.83 1wi3 n ILE 14 Cb 0.42 -1.83 0.27 0.00 -0.71 0.00 0.00 39.64 37.79 1wi3 n ILE 14 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1wi3 n SER 15 N 5.76 -0.13 0.00 4.38 7.64 -1.26 -4.82 113.62 125.19 1wi3 n SER 15 Ca 0.21 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.70 1wi3 n SER 15 Cb 0.30 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -5.03 117.00 109.80 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 0.71 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1wi3 n LEU 16 CO -0.07 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.73 1wi3 n GLU 17 N 0.00 0.00 -0.18 1.96 1.02 -1.26 0.14 120.64 122.31 1wi3 n GLU 17 Ca 0.00 0.28 -0.03 0.00 -0.02 0.00 0.00 57.16 57.39 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 -1.38 -0.21 0.03 0.62 0.00 -1.26 0.18 120.51 118.49 1wi3 n ALA 18 Ca 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1wi3 n ALA 18 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.38 -0.89 0.00 5.85 -1.25 0.59 115.31 119.23 1wi3 h LEU 19 Ca 0.10 0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.08 1wi3 h LEU 19 Cb 0.21 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 1wi3 h LEU 19 CO -0.43 -0.14 0.35 1.23 -0.34 0.00 0.00 178.44 179.11 1wi3 h GLY 20 N -0.20 1.48 0.21 3.75 0.00 0.78 1.36 103.07 110.45 1wi3 h GLY 20 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1wi3 h GLY 20 CO -0.06 -0.30 -0.43 -2.22 0.00 0.00 0.00 176.54 173.53 1wi3 h ILE 21 N 0.34 0.00 -0.53 2.60 2.04 0.26 0.33 117.51 122.55 1wi3 h ILE 21 Ca 0.56 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.38 1wi3 h ILE 21 Cb 1.08 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1wi3 h ILE 21 CO -0.56 0.00 0.16 0.17 0.00 0.00 0.00 178.15 177.92 1wi3 h LEU 22 N -0.70 0.72 -0.91 1.44 8.10 0.50 -2.15 115.31 122.32 1wi3 h LEU 22 Ca -0.02 -0.11 0.12 0.00 0.11 0.00 0.00 57.88 57.98 1wi3 h LEU 22 Cb 0.66 -0.19 -0.08 0.00 -0.44 0.00 0.00 40.66 40.61 1wi3 h LEU 22 CO -0.17 0.69 0.54 -0.61 -4.11 0.00 0.00 178.44 174.77 1wi3 h GLN 23 N 0.76 0.81 -0.88 0.17 -0.00 0.27 1.00 115.11 117.24 1wi3 h GLN 23 Ca 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.76 1wi3 h GLN 23 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.48 1wi3 h GLN 23 CO -0.01 0.53 0.49 1.03 0.00 0.00 0.00 178.83 180.87 1wi3 h SER 24 N 0.83 1.09 0.56 -0.69 0.87 0.30 -1.28 113.55 115.23 1wi3 h SER 24 Ca 0.46 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.86 1wi3 h SER 24 Cb 0.51 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1wi3 h SER 24 CO -0.29 0.86 -0.34 0.15 -0.53 0.00 0.00 176.83 176.69 1wi3 h PHE 25 N 1.22 0.00 -0.33 2.24 3.04 -0.78 -1.58 116.94 120.76 1wi3 h PHE 25 Ca 0.31 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.13 1wi3 h PHE 25 Cb 0.01 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1wi3 h PHE 25 CO 0.01 0.34 -0.28 0.82 -2.02 0.00 0.00 178.31 177.18 1wi3 h ILE 26 N 0.00 1.29 0.00 1.41 2.04 0.06 0.72 117.51 123.03 1wi3 h ILE 26 Ca -0.00 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1wi3 h ILE 26 Cb 0.71 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1wi3 h ILE 26 CO 0.04 0.47 0.00 1.57 0.00 0.00 0.00 178.15 180.23 1wi3 n HIS 27 N -4.23 0.51 -0.10 1.37 -0.00 -0.78 0.18 115.22 112.17 1wi3 n HIS 27 Ca -0.03 0.16 -0.17 0.00 0.46 0.00 0.00 57.72 58.14 1wi3 n HIS 27 Cb 0.47 -0.77 -0.08 0.00 -0.12 0.00 0.00 29.99 29.50 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 -1.93 1.86 0.02 0.26 8.00 -0.62 -4.57 116.55 119.58 1wi3 n ASP 28 Ca 0.05 0.47 -0.19 0.00 0.71 0.00 0.00 54.79 55.83 1wi3 n ASP 28 Cb 0.32 -0.91 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wi3 h VAL 29 N -1.00 1.47 0.00 2.53 -1.51 0.40 -3.51 116.25 114.63 1wi3 h VAL 29 Ca -0.27 -2.48 0.00 0.00 -1.23 0.00 0.00 66.70 62.72 1wi3 h VAL 29 Cb 1.09 3.13 0.00 0.00 -2.13 0.00 0.00 31.29 33.38 1wi3 h VAL 29 CO -0.16 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 1wi3 n GLY 30 N 1.66 0.82 2.68 5.19 0.00 0.48 -4.77 105.19 111.26 1wi3 n GLY 30 Ca -0.16 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.78 -2.97 0.99 4.77 -1.26 -4.35 117.00 114.96 1wi3 n LEU 31 Ca 0.00 -3.61 -0.16 0.00 -0.03 0.00 0.00 56.01 52.21 1wi3 n LEU 31 Cb 0.00 0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1wi3 n LEU 31 CO 0.00 1.59 -0.03 -1.22 -1.33 0.00 0.00 177.39 176.40 1wi3 n TYR 32 N -0.22 -1.74 -2.50 -1.77 4.01 -1.26 -5.08 117.16 108.60 1wi3 n TYR 32 Ca 0.06 -2.73 -0.41 0.00 -0.16 0.00 0.00 57.90 54.66 1wi3 n TYR 32 Cb 0.83 0.60 -0.04 0.00 -0.31 0.00 0.00 39.34 40.41 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 -0.43 4.63 0.23 -0.72 0.04 -1.26 -5.04 135.00 132.45 1wi3 s PRO 33 Ca 0.33 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 1wi3 s PRO 33 Cb 0.22 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1wi3 s PRO 33 CO -0.16 0.16 0.42 -0.51 0.04 0.00 0.00 177.00 176.95 1wi3 s ASP 34 N -0.52 6.37 0.59 6.66 1.11 -1.26 -4.84 116.67 124.77 1wi3 s ASP 34 Ca 0.47 0.38 0.33 0.00 0.18 0.00 0.00 52.55 53.91 1wi3 s ASP 34 Cb -0.31 -2.00 1.26 0.00 1.07 0.00 0.00 42.92 42.95 1wi3 s ASP 34 CO 0.38 -0.09 1.52 1.56 1.18 0.00 0.00 175.17 179.72 1wi3 h GLN 35 N 1.71 0.00 0.08 8.23 4.20 -1.98 1.49 115.11 128.84 1wi3 h GLN 35 Ca -0.49 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.06 1wi3 h GLN 35 Cb 1.20 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.00 1wi3 h GLN 35 CO 0.66 0.00 -0.70 1.49 -0.67 0.00 0.00 178.83 179.61 1wi3 h GLU 36 N 0.00 0.33 -0.58 1.46 4.81 -1.98 -2.12 114.58 116.50 1wi3 h GLU 36 Ca 0.55 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1wi3 h GLU 36 Cb 2.73 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 32.24 1wi3 h GLU 36 CO -0.01 1.18 0.25 0.00 -0.73 0.00 0.00 179.01 179.70 1wi3 h ALA 37 N 0.17 0.75 -0.59 2.92 0.00 0.16 -1.30 119.26 121.37 1wi3 h ALA 37 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1wi3 h ALA 37 Cb 1.49 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1wi3 h ALA 37 CO 0.13 0.35 0.27 0.82 0.00 0.00 0.00 179.25 180.82 1wi3 h ILE 38 N 0.80 1.22 -0.68 0.00 2.04 -0.77 -0.42 117.51 119.68 1wi3 h ILE 38 Ca 0.20 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1wi3 h ILE 38 Cb 0.17 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1wi3 h ILE 38 CO -0.02 0.25 0.45 -0.74 0.00 0.00 0.00 178.15 178.09 1wi3 h HIS 39 N 0.81 0.73 -0.08 1.37 2.76 -0.91 0.68 115.15 120.51 1wi3 h HIS 39 Ca 0.20 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.23 1wi3 h HIS 39 Cb 0.15 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1wi3 h HIS 39 CO 0.00 0.40 -0.65 1.15 -1.30 0.00 0.00 177.93 177.53 1wi3 h THR 40 N 0.74 1.38 -0.02 6.26 2.02 -0.40 -1.63 112.91 121.26 1wi3 h THR 40 Ca 0.29 -2.04 -0.20 0.00 0.77 0.00 0.00 66.41 65.23 1wi3 h THR 40 Cb 0.20 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1wi3 h THR 40 CO -0.09 0.61 -0.84 -0.07 0.37 0.00 0.00 175.52 175.50 1wi3 h LEU 41 N 0.24 0.43 -0.31 2.58 3.38 0.59 0.55 115.31 122.76 1wi3 h LEU 41 Ca -0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1wi3 h LEU 41 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wi3 h LEU 41 CO 0.11 1.09 0.00 -0.24 0.09 0.00 0.00 178.44 179.49 1wi3 n SER 42 N -3.75 0.78 -0.02 -0.43 2.88 0.22 -2.44 113.62 110.86 1wi3 n SER 42 Ca -0.05 0.62 -0.02 0.00 -1.33 0.00 0.00 58.87 58.09 1wi3 n SER 42 Cb 0.78 -0.81 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.79 0.30 -0.33 -1.46 0.00 -0.62 -1.37 120.51 115.24 1wi3 n ALA 43 Ca 0.04 -0.40 0.27 0.00 0.00 0.00 0.00 53.44 53.35 1wi3 n ALA 43 Cb 0.35 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.27 0.03 0.00 0.00 4.15 -0.03 0.74 115.11 119.73 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 0.27 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 1wi3 h GLN 44 CO 0.00 0.02 -2.03 1.28 -1.93 0.00 0.00 178.83 176.17 1wi3 n LEU 45 N -5.30 0.44 0.00 -2.39 4.77 -1.02 -4.98 117.00 108.52 1wi3 n LEU 45 Ca 0.34 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1wi3 n LEU 45 Cb 1.13 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 42.54 1wi3 n LEU 45 CO -0.00 0.42 0.00 -0.67 -1.33 0.00 0.00 177.39 175.81 1wi3 n ASP 46 N -2.88 -2.42 -4.95 -1.43 2.03 0.26 -5.03 116.55 102.12 1wi3 n ASP 46 Ca -0.24 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.84 1wi3 n ASP 46 Cb 1.09 -0.44 -0.00 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 3.84 0.68 -2.67 1.43 -0.47 -4.88 118.68 116.61 1wi3 s LEU 47 Ca 0.00 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1wi3 s LEU 47 Cb 0.00 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1wi3 s LEU 47 CO 0.00 -0.50 1.06 -2.16 0.23 0.00 0.00 176.35 174.98 1wi3 s PRO 48 N -4.41 3.00 0.04 1.29 0.04 -1.26 -4.00 135.00 129.70 1wi3 s PRO 48 Ca 0.44 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 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 0.36 -1.05 1.48 0.87 0.04 0.00 0.00 177.00 178.69 1wi3 h LYS 49 N -0.58 -0.27 -0.61 4.56 1.57 -1.93 -1.67 116.57 117.63 1wi3 h LYS 49 Ca -0.44 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1wi3 h LYS 49 Cb 1.21 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 1wi3 h LYS 49 CO 0.57 -0.03 -0.04 1.12 -0.57 0.00 0.00 179.45 180.50 1wi3 h HIS 50 N -0.47 -0.12 -0.03 -1.35 2.07 -1.97 1.65 115.15 114.93 1wi3 h HIS 50 Ca -0.03 0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.57 1wi3 h HIS 50 Cb 0.36 0.15 -0.04 0.00 2.57 0.00 0.00 27.41 30.45 1wi3 h HIS 50 CO -0.01 -0.19 -0.19 1.15 -3.07 0.00 0.00 177.93 175.62 1wi3 h THR 51 N 0.08 0.53 -0.24 6.12 2.02 -1.91 1.46 112.91 120.98 1wi3 h THR 51 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 1wi3 h THR 51 Cb 0.50 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1wi3 h THR 51 CO -0.55 0.00 0.10 0.40 0.37 0.00 0.00 175.52 175.84 1wi3 h ILE 52 N -0.30 1.16 0.52 3.11 2.04 -0.13 -1.39 117.51 122.53 1wi3 h ILE 52 Ca 0.07 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1wi3 h ILE 52 Cb 0.39 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1wi3 h ILE 52 CO -0.20 0.16 -0.35 0.40 0.00 0.00 0.00 178.15 178.16 1wi3 h ILE 53 N 0.24 0.00 -0.08 -0.67 2.04 0.29 -1.11 117.51 118.22 1wi3 h ILE 53 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1wi3 h ILE 53 Cb 0.16 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1wi3 h ILE 53 CO -0.01 0.00 -0.05 0.11 0.00 0.00 0.00 178.15 178.20 1wi3 h LYS 54 N -0.83 -0.01 -0.87 2.37 6.56 0.20 0.93 116.57 124.93 1wi3 h LYS 54 Ca -0.07 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.63 1wi3 h LYS 54 Cb 0.67 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.21 1wi3 h LYS 54 CO 0.05 -0.01 -0.41 0.34 -2.06 0.00 0.00 179.45 177.37 1wi3 n PHE 55 N -3.14 -0.14 -0.04 -1.35 7.35 -0.53 -0.03 117.46 119.59 1wi3 n PHE 55 Ca 0.00 1.08 -0.11 0.00 -0.76 0.00 0.00 57.45 57.66 1wi3 n PHE 55 Cb 0.03 -0.72 -0.05 0.00 0.35 0.00 0.00 39.48 39.08 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 -1.16 -0.97 -5.13 0.04 0.29 0.45 116.94 110.46 1wi3 h PHE 56 Ca 0.24 0.05 0.33 0.00 2.80 0.00 0.00 57.97 61.39 1wi3 h PHE 56 Cb 0.46 0.54 -0.17 0.00 2.20 0.00 0.00 35.95 38.98 1wi3 h PHE 56 CO -0.82 -0.45 0.34 1.96 -0.60 0.00 0.00 178.31 178.74 1wi3 h GLN 57 N -0.42 0.09 -0.15 1.51 4.20 0.19 1.01 115.11 121.53 1wi3 h GLN 57 Ca 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1wi3 h GLN 57 Cb 0.60 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1wi3 h GLN 57 CO -0.44 0.06 0.05 -0.97 -0.67 0.00 0.00 178.83 176.86 1wi3 h ASN 58 N 0.10 0.22 -0.88 1.46 -1.24 -0.30 -2.91 115.58 112.03 1wi3 h ASN 58 Ca 0.70 -0.20 0.17 0.00 0.71 0.00 0.00 56.30 57.68 1wi3 h ASN 58 Cb 1.64 -0.06 -0.16 0.00 0.73 0.00 0.00 38.32 40.47 1wi3 h ASN 58 CO -0.77 0.36 -0.26 -0.61 -1.29 0.00 0.00 177.43 174.87 1wi3 h GLN 59 N 0.07 -0.01 0.36 6.67 5.75 0.21 -0.04 115.11 128.11 1wi3 h GLN 59 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1wi3 h GLN 59 Cb 0.22 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1wi3 h GLN 59 CO -0.00 -0.01 -0.41 -0.09 -2.65 0.00 0.00 178.83 175.67 1wi3 h ARG 60 N -0.01 -0.75 -0.97 1.69 2.43 -1.23 -2.94 114.38 112.59 1wi3 h ARG 60 Ca 0.40 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.71 1wi3 h ARG 60 Cb 0.63 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 30.24 1wi3 h ARG 60 CO -0.91 -0.50 -0.57 0.98 -1.51 0.00 0.00 179.97 177.46 1wi3 n TYR 61 N -4.89 -0.42 -3.15 2.20 4.19 -0.15 -3.27 117.16 111.67 1wi3 n TYR 61 Ca -0.09 1.22 -0.45 0.00 3.31 0.00 0.00 57.90 61.88 1wi3 n TYR 61 Cb 0.37 -0.58 -0.04 0.00 0.49 0.00 0.00 39.34 39.57 1wi3 n TYR 61 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 1wi3 s HIS 62 N -5.49 3.09 0.00 2.98 0.09 -0.50 -4.98 115.29 110.47 1wi3 s HIS 62 Ca -0.12 -1.09 -0.03 0.00 -0.00 0.00 0.00 55.06 53.82 1wi3 s HIS 62 Cb 0.11 -3.97 -0.01 0.00 -0.00 0.00 0.00 32.58 28.71 1wi3 s HIS 62 CO 0.60 -1.24 0.05 0.54 -0.00 0.00 0.00 174.74 174.70 1wi3 s VAL 63 N 2.36 0.08 0.76 -0.90 0.11 -1.20 -4.67 120.40 116.93 1wi3 s VAL 63 Ca 0.11 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 58.40 1wi3 s VAL 63 Cb -0.24 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.38 1wi3 s VAL 63 CO 0.04 -0.35 1.12 -0.75 -3.33 0.00 0.00 175.10 171.83 1wi3 s LYS 64 N -1.11 2.19 0.33 1.54 2.20 -1.26 -4.81 119.74 118.82 1wi3 s LYS 64 Ca -0.12 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1wi3 s LYS 64 Cb -0.07 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1wi3 s LYS 64 CO 0.00 -1.72 0.00 0.72 -0.36 0.00 0.00 175.35 173.99 1wi3 n HIS 65 N -3.21 -2.29 -1.20 4.03 8.25 -1.26 -5.03 115.22 114.52 1wi3 n HIS 65 Ca 0.11 1.23 0.15 0.00 -0.26 0.00 0.00 57.72 58.94 1wi3 n HIS 65 Cb 0.52 -2.08 -0.07 0.00 1.12 0.00 0.00 29.99 29.48 1wi3 n HIS 65 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wi3 n SER 66 N -3.53 -6.76 -4.04 0.41 7.64 -1.26 -4.90 113.62 101.18 1wi3 n SER 66 Ca -0.04 1.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 1wi3 n SER 66 Cb 0.41 -4.03 -0.16 0.00 -1.01 0.00 0.00 64.21 59.41 1wi3 n SER 66 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi3 s GLY 67 N -6.77 1.13 -0.08 0.23 0.00 -1.26 -5.02 107.32 95.55 1wi3 s GLY 67 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 1wi3 s GLY 67 CO 0.00 0.39 1.00 -0.56 0.00 0.00 0.00 173.10 173.94 1wi3 h PRO 68 N 7.81 -0.00 -2.97 2.90 0.13 -1.94 -3.47 132.00 134.45 1wi3 h PRO 68 Ca -0.36 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.67 1wi3 h PRO 68 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1wi3 h PRO 68 CO 0.52 0.74 -0.19 -1.12 -0.23 0.00 0.00 178.00 177.72 1wi3 s SER 69 N -5.95 -0.24 0.96 1.44 0.01 -1.26 -5.16 113.70 103.49 1wi3 s SER 69 Ca -0.17 0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 1wi3 s SER 69 Cb -0.01 0.37 0.17 0.00 0.21 0.00 0.00 66.02 66.76 1wi3 s SER 69 CO 0.68 -0.54 1.10 -0.44 0.41 0.00 0.00 173.24 174.45 1wi3 s SER 70 N -1.58 2.67 0.00 2.44 0.01 -1.26 -5.27 113.70 110.71 1wi3 s SER 70 Ca -0.10 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1wi3 s SER 70 Cb -0.03 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1wi3 s SER 70 CO 0.02 -3.21 0.00 0.61 0.41 0.00 0.00 173.24 171.07