#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 6.19 -0.36 1.61 1.04 -1.26 -4.96 113.70 115.96 1wi3 s SER 2 Ca 0.00 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 1wi3 s SER 2 Cb 0.00 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1wi3 s SER 2 CO 0.00 -1.49 0.10 -0.94 0.98 0.00 0.00 173.24 171.89 1wi3 s SER 3 N 4.75 5.04 0.00 7.02 1.04 -1.26 -5.07 113.70 125.22 1wi3 s SER 3 Ca 0.70 -1.77 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1wi3 s SER 3 Cb -0.19 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1wi3 s SER 3 CO 0.32 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wi3 n GLY 4 N 4.55 0.81 3.20 7.32 0.00 -1.26 -5.00 105.19 114.81 1wi3 n GLY 4 Ca -0.05 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.02 5.05 -0.30 1.61 0.15 -1.26 -5.03 113.70 112.91 1wi3 s SER 5 Ca 0.00 -1.28 -0.19 0.00 0.70 0.00 0.00 55.95 55.19 1wi3 s SER 5 Cb 0.00 -1.77 0.19 0.00 -1.71 0.00 0.00 66.02 62.73 1wi3 s SER 5 CO 0.00 -0.30 1.24 -0.55 1.20 0.00 0.00 173.24 174.83 1wi3 s SER 6 N 1.34 -0.16 0.00 5.45 0.15 -1.26 -5.15 113.70 114.08 1wi3 s SER 6 Ca -0.03 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1wi3 s SER 6 Cb -0.20 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1wi3 s SER 6 CO -0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1wi3 n GLY 7 N 4.64 -0.49 3.55 9.45 0.00 -1.26 -5.07 105.19 116.01 1wi3 n GLY 7 Ca -0.07 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.93 -0.62 1.61 0.04 -1.26 -4.94 135.00 132.77 1wi3 s PRO 8 Ca 0.00 0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.03 1wi3 s PRO 8 Cb 0.00 -4.37 0.16 0.00 0.04 0.00 0.00 34.50 30.33 1wi3 s PRO 8 CO 0.00 -2.47 0.50 0.50 0.04 0.00 0.00 177.00 175.57 1wi3 s ARG 9 N 6.34 2.85 -0.42 4.56 6.06 -1.26 -4.98 118.95 132.09 1wi3 s ARG 9 Ca 0.51 -2.15 0.02 0.00 -2.50 0.00 0.00 55.73 51.61 1wi3 s ARG 9 Cb -0.10 -4.04 0.14 0.00 0.06 0.00 0.00 34.95 31.01 1wi3 s ARG 9 CO 0.15 -1.23 0.23 -1.54 -2.50 0.00 0.00 175.30 170.42 1wi3 s SER 10 N 2.09 3.54 -0.28 -2.12 1.04 -1.26 -5.05 113.70 111.67 1wi3 s SER 10 Ca 0.12 -2.55 -0.02 0.00 0.48 0.00 0.00 55.95 53.98 1wi3 s SER 10 Cb -0.20 -0.93 0.12 0.00 0.10 0.00 0.00 66.02 65.10 1wi3 s SER 10 CO -0.03 -0.28 0.24 -0.60 0.98 0.00 0.00 173.24 173.55 1wi3 s ARG 11 N 0.48 0.26 0.30 4.02 6.06 -1.26 -5.13 118.95 123.68 1wi3 s ARG 11 Ca 0.18 -0.20 -0.29 0.00 -2.50 0.00 0.00 55.73 52.91 1wi3 s ARG 11 Cb -0.24 -0.89 -0.10 0.00 0.06 0.00 0.00 34.95 33.77 1wi3 s ARG 11 CO 0.01 -0.97 1.43 0.95 -2.50 0.00 0.00 175.30 174.21 1wi3 s THR 12 N 2.28 2.50 -0.17 4.11 -4.23 -1.26 -5.01 115.64 113.86 1wi3 s THR 12 Ca 0.09 0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1wi3 s THR 12 Cb -0.15 -3.29 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1wi3 s THR 12 CO -0.31 0.09 0.32 -0.75 -0.54 0.00 0.00 174.62 173.43 1wi3 s LYS 13 N -1.11 0.23 0.21 3.99 2.20 -1.26 -5.07 119.74 118.93 1wi3 s LYS 13 Ca 0.55 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1wi3 s LYS 13 Cb -0.43 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1wi3 s LYS 13 CO 0.50 -0.37 0.00 -0.89 -0.36 0.00 0.00 175.35 174.24 1wi3 n ILE 14 N 5.36-12.93 -0.33 5.43 5.41 -1.26 -4.64 119.36 116.41 1wi3 n ILE 14 Ca -0.06 3.32 0.10 0.00 1.00 0.00 0.00 62.75 67.11 1wi3 n ILE 14 Cb 0.50 -5.36 0.21 0.00 -0.71 0.00 0.00 39.64 34.28 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 1.78 -0.20 0.00 4.38 7.64 -1.26 -4.82 113.62 121.13 1wi3 n SER 15 Ca 0.00 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.47 1wi3 n SER 15 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 -5.43 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.78 1wi3 n LEU 16 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1wi3 n LEU 16 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1wi3 n LEU 16 CO -0.09 0.00 0.13 -0.62 -1.11 0.00 0.00 177.39 175.70 1wi3 n GLU 17 N 0.00 0.00 -0.17 1.96 1.02 -1.26 0.97 120.64 123.16 1wi3 n GLU 17 Ca 0.00 0.26 -0.04 0.00 -0.02 0.00 0.00 57.16 57.36 1wi3 n GLU 17 Cb 0.00 -0.67 -0.04 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 -1.43 -0.25 -0.03 0.62 0.00 -1.26 0.18 120.51 118.33 1wi3 n ALA 18 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1wi3 n ALA 18 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.29 -0.54 0.00 5.85 -1.38 -0.08 115.31 117.87 1wi3 h LEU 19 Ca 0.06 0.16 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1wi3 h LEU 19 Cb 0.16 0.51 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 1wi3 h LEU 19 CO -0.37 -0.34 -0.06 1.23 -0.34 0.00 0.00 178.44 178.56 1wi3 h GLY 20 N -0.40 0.49 -0.39 3.75 0.00 0.88 1.08 103.07 108.48 1wi3 h GLY 20 Ca 0.03 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1wi3 h GLY 20 CO -0.35 -0.18 -0.54 -2.22 0.00 0.00 0.00 176.54 173.25 1wi3 h ILE 21 N 0.06 0.00 -0.63 2.60 2.04 0.19 0.36 117.51 122.13 1wi3 h ILE 21 Ca 0.27 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.07 1wi3 h ILE 21 Cb 0.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1wi3 h ILE 21 CO -0.50 0.00 0.17 0.17 0.00 0.00 0.00 178.15 177.99 1wi3 h LEU 22 N -0.39 0.90 -1.40 1.44 8.10 -0.18 -2.08 115.31 121.70 1wi3 h LEU 22 Ca 0.07 -0.17 0.21 0.00 0.11 0.00 0.00 57.88 58.10 1wi3 h LEU 22 Cb 0.58 -0.24 -0.08 0.00 -0.44 0.00 0.00 40.66 40.49 1wi3 h LEU 22 CO -0.58 0.87 0.61 -0.61 -4.11 0.00 0.00 178.44 174.62 1wi3 h GLN 23 N 0.93 0.46 -0.53 0.17 -0.00 0.39 0.45 115.11 116.99 1wi3 h GLN 23 Ca 0.20 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.74 1wi3 h GLN 23 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 1wi3 h GLN 23 CO -0.00 0.31 -0.01 1.03 0.00 0.00 0.00 178.83 180.15 1wi3 h SER 24 N 0.48 0.88 0.43 -0.69 0.87 0.30 -2.28 113.55 113.54 1wi3 h SER 24 Ca 0.50 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1wi3 h SER 24 Cb 1.15 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1wi3 h SER 24 CO -0.22 0.95 -0.49 0.15 -0.53 0.00 0.00 176.83 176.69 1wi3 h PHE 25 N 0.83 0.08 -0.57 2.24 3.04 -0.15 -1.58 116.94 120.83 1wi3 h PHE 25 Ca 0.15 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.97 1wi3 h PHE 25 Cb 0.51 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1wi3 h PHE 25 CO 0.03 0.54 -0.07 0.82 -2.02 0.00 0.00 178.31 177.61 1wi3 h ILE 26 N 0.05 1.27 0.00 1.41 2.04 -0.61 0.89 117.51 122.56 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 0.88 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1wi3 h ILE 26 CO 0.07 0.44 0.00 1.57 0.00 0.00 0.00 178.15 180.22 1wi3 n HIS 27 N -4.16 0.67 -0.10 1.37 -0.00 -0.90 0.14 115.22 112.25 1wi3 n HIS 27 Ca 0.02 0.20 -0.19 0.00 0.46 0.00 0.00 57.72 58.22 1wi3 n HIS 27 Cb 0.38 -0.83 -0.09 0.00 -0.12 0.00 0.00 29.99 29.33 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 -2.05 1.86 -0.04 0.26 8.00 -0.61 -4.57 116.55 119.39 1wi3 n ASP 28 Ca 0.05 0.46 -0.18 0.00 0.71 0.00 0.00 54.79 55.83 1wi3 n ASP 28 Cb 0.38 -0.93 -0.13 0.00 -0.02 0.00 0.00 41.12 40.41 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 1.45 0.00 2.53 -1.51 0.71 -3.50 116.25 114.93 1wi3 h VAL 29 Ca -0.30 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 62.80 1wi3 h VAL 29 Cb 1.16 3.03 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1wi3 h VAL 29 CO -0.18 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 1wi3 n GLY 30 N 1.61 1.17 0.00 5.19 0.00 0.38 -4.98 105.19 108.56 1wi3 n GLY 30 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -3.94 0.99 4.77 -1.25 -4.29 117.00 113.27 1wi3 n LEU 31 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1wi3 n LEU 31 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1wi3 n LEU 31 CO 0.00 0.00 1.93 0.00 -1.33 0.00 0.00 177.39 177.99 1wi3 n TYR 32 N -0.33 0.38 -0.36 -1.77 4.11 -1.26 -4.86 117.16 113.08 1wi3 n TYR 32 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.90 58.16 1wi3 n TYR 32 Cb 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 39.34 37.61 1wi3 n TYR 32 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1wi3 n PRO 33 N 6.88 0.29 -3.87 -3.48 -0.04 -1.26 -5.11 135.00 128.41 1wi3 n PRO 33 Ca 0.58 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1wi3 n PRO 33 Cb 0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.40 1wi3 n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wi3 s ASP 34 N -1.25 0.02 0.59 3.54 1.11 -1.26 -4.97 116.67 114.44 1wi3 s ASP 34 Ca 0.00 -0.16 0.34 0.00 0.18 0.00 0.00 52.55 52.91 1wi3 s ASP 34 Cb 0.00 0.21 1.29 0.00 1.07 0.00 0.00 42.92 45.49 1wi3 s ASP 34 CO 0.00 -0.32 1.52 1.56 1.18 0.00 0.00 175.17 179.11 1wi3 h GLN 35 N 4.54 0.00 0.15 8.23 1.08 -1.99 1.60 115.11 128.72 1wi3 h GLN 35 Ca -0.30 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.65 1wi3 h GLN 35 Cb 1.20 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.64 1wi3 h GLN 35 CO 0.41 0.00 -1.16 1.49 -0.95 0.00 0.00 178.83 178.62 1wi3 h GLU 36 N 0.00 0.33 -0.51 1.46 4.81 -1.99 -2.75 114.58 115.92 1wi3 h GLU 36 Ca 0.57 -0.56 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1wi3 h GLU 36 Cb 2.78 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 32.35 1wi3 h GLU 36 CO -0.01 1.27 0.06 0.00 -0.73 0.00 0.00 179.01 179.60 1wi3 h ALA 37 N 0.05 0.68 -0.83 2.92 0.00 0.16 -1.66 119.26 120.59 1wi3 h ALA 37 Ca -0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1wi3 h ALA 37 Cb 1.79 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1wi3 h ALA 37 CO 0.14 0.45 0.46 0.82 0.00 0.00 0.00 179.25 181.12 1wi3 h ILE 38 N 0.74 1.24 -0.70 0.00 2.04 0.05 0.20 117.51 121.08 1wi3 h ILE 38 Ca 0.15 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1wi3 h ILE 38 Cb 0.44 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1wi3 h ILE 38 CO 0.02 0.26 0.46 -0.74 0.00 0.00 0.00 178.15 178.15 1wi3 h HIS 39 N 1.15 0.88 -0.60 1.37 2.76 -1.15 0.56 115.15 120.11 1wi3 h HIS 39 Ca 0.29 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1wi3 h HIS 39 Cb 0.01 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 1wi3 h HIS 39 CO 0.00 0.55 0.07 1.15 -1.30 0.00 0.00 177.93 178.40 1wi3 h THR 40 N 0.94 1.26 -0.38 6.26 2.02 -0.59 0.28 112.91 122.70 1wi3 h THR 40 Ca 0.26 -1.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 1wi3 h THR 40 Cb -0.10 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1wi3 h THR 40 CO -0.06 0.38 -0.36 -0.07 0.37 0.00 0.00 175.52 175.77 1wi3 h LEU 41 N 0.92 0.94 -0.88 2.58 3.38 -0.19 1.10 115.31 123.16 1wi3 h LEU 41 Ca 0.18 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wi3 h LEU 41 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wi3 h LEU 41 CO 0.02 1.20 0.00 -1.28 0.09 0.00 0.00 178.44 178.47 1wi3 h SER 42 N 0.73 0.00 0.00 -0.43 0.87 0.45 -2.14 113.55 113.03 1wi3 h SER 42 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1wi3 h SER 42 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1wi3 h SER 42 CO 0.09 0.00 -0.14 0.00 -0.53 0.00 0.00 176.83 176.25 1wi3 n ALA 43 N -1.91 0.12 -0.33 6.23 0.00 0.06 -1.02 120.51 123.66 1wi3 n ALA 43 Ca 0.02 -0.30 0.19 0.00 0.00 0.00 0.00 53.44 53.35 1wi3 n ALA 43 Cb 0.29 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.16 0.03 0.00 0.00 4.15 0.11 0.81 115.11 120.05 1wi3 h GLN 44 Ca 0.00 -0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1wi3 h GLN 44 Cb 0.14 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1wi3 h GLN 44 CO 0.00 0.02 -1.71 1.28 -1.93 0.00 0.00 178.83 176.49 1wi3 n LEU 45 N -5.40 0.81 0.00 -2.39 4.77 -0.81 -4.97 117.00 109.02 1wi3 n LEU 45 Ca 0.27 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1wi3 n LEU 45 Cb 0.91 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1wi3 n LEU 45 CO -0.03 0.36 0.00 -0.67 -1.33 0.00 0.00 177.39 175.71 1wi3 n ASP 46 N -3.00 -2.32 -4.96 -1.43 -0.08 0.28 -5.03 116.55 100.02 1wi3 n ASP 46 Ca -0.17 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.89 1wi3 n ASP 46 Cb 1.02 -0.46 -0.00 0.00 2.34 0.00 0.00 41.12 44.02 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 0.00 3.88 0.71 -2.67 1.43 -0.18 -4.88 118.68 116.96 1wi3 s LEU 47 Ca 0.00 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1wi3 s LEU 47 Cb 0.00 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1wi3 s LEU 47 CO 0.00 -0.47 1.06 -2.16 0.23 0.00 0.00 176.35 175.01 1wi3 s PRO 48 N -4.36 2.83 0.03 1.29 0.04 -1.26 -3.98 135.00 129.59 1wi3 s PRO 48 Ca 0.44 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 1wi3 s PRO 48 Cb -0.10 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.29 1wi3 s PRO 48 CO 0.35 -1.17 1.44 0.87 0.04 0.00 0.00 177.00 178.54 1wi3 h LYS 49 N -0.77 -0.21 -0.80 4.56 1.57 -1.93 -1.90 116.57 117.10 1wi3 h LYS 49 Ca -0.44 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1wi3 h LYS 49 Cb 1.22 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 1wi3 h LYS 49 CO 0.57 0.05 0.29 1.12 -0.57 0.00 0.00 179.45 180.92 1wi3 h HIS 50 N -0.46 0.48 0.68 -1.35 2.07 -1.97 1.06 115.15 115.66 1wi3 h HIS 50 Ca -0.02 0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 1wi3 h HIS 50 Cb 0.36 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 1wi3 h HIS 50 CO 0.01 -0.02 -0.44 1.15 -3.07 0.00 0.00 177.93 175.56 1wi3 h THR 51 N 0.38 0.11 -0.79 6.12 2.02 -1.89 1.04 112.91 119.90 1wi3 h THR 51 Ca 0.46 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.70 1wi3 h THR 51 Cb 0.79 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1wi3 h THR 51 CO -0.48 0.00 0.48 0.40 0.37 0.00 0.00 175.52 176.29 1wi3 h ILE 52 N -1.06 1.05 0.63 3.11 2.04 -0.44 -0.74 117.51 122.09 1wi3 h ILE 52 Ca -0.09 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1wi3 h ILE 52 Cb 0.87 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1wi3 h ILE 52 CO 0.07 0.16 -0.30 0.40 0.00 0.00 0.00 178.15 178.48 1wi3 h ILE 53 N 0.90 0.00 -0.93 -0.67 2.04 0.15 -0.47 117.51 118.54 1wi3 h ILE 53 Ca 0.34 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.29 1wi3 h ILE 53 Cb 0.13 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.09 1wi3 h ILE 53 CO -0.16 0.00 -0.55 0.11 0.00 0.00 0.00 178.15 177.55 1wi3 h LYS 54 N -0.84 -0.04 -0.38 2.37 6.56 0.13 0.16 116.57 124.53 1wi3 h LYS 54 Ca -0.09 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.57 1wi3 h LYS 54 Cb 0.65 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.23 1wi3 h LYS 54 CO 0.14 -0.03 -0.46 0.35 -2.06 0.00 0.00 179.45 177.39 1wi3 h PHE 55 N -0.05 -1.35 -0.70 -1.35 3.57 -1.07 -0.11 116.94 115.89 1wi3 h PHE 55 Ca 0.18 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.90 1wi3 h PHE 55 Cb 0.46 0.64 -0.12 0.00 2.79 0.00 0.00 35.95 39.72 1wi3 h PHE 55 CO -0.97 -0.46 0.04 0.74 -2.23 0.00 0.00 178.31 175.43 1wi3 h PHE 56 N -0.36 0.02 -0.11 0.41 0.04 0.92 0.94 116.94 118.81 1wi3 h PHE 56 Ca 0.12 0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.97 1wi3 h PHE 56 Cb 0.60 0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1wi3 h PHE 56 CO -0.63 -0.18 0.11 1.96 -0.60 0.00 0.00 178.31 178.97 1wi3 h GLN 57 N 0.14 0.00 -0.92 1.51 4.20 0.95 0.31 115.11 121.30 1wi3 h GLN 57 Ca 0.38 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.86 1wi3 h GLN 57 Cb 0.64 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.28 1wi3 h GLN 57 CO -0.58 0.00 0.29 0.09 -0.67 0.00 0.00 178.83 177.97 1wi3 n ASN 58 N -3.92 3.64 -0.01 1.46 3.02 0.33 -4.11 115.26 115.66 1wi3 n ASN 58 Ca -0.00 -2.89 -0.05 0.00 -0.03 0.00 0.00 54.58 51.60 1wi3 n ASN 58 Cb 0.22 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1wi3 n ASN 58 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1wi3 n GLN 59 N -0.26 0.18 0.24 3.52 0.00 0.11 -4.46 117.38 116.69 1wi3 n GLN 59 Ca 0.32 0.07 0.14 0.00 -0.00 0.00 0.00 57.00 57.53 1wi3 n GLN 59 Cb 1.13 -0.80 0.74 0.00 0.00 0.00 0.00 30.24 31.31 1wi3 n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wi3 h ARG 60 N -0.32 0.00 0.00 3.69 -0.00 -1.71 0.80 114.38 116.85 1wi3 h ARG 60 Ca -0.09 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.34 1wi3 h ARG 60 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.62 1wi3 h ARG 60 CO -0.05 0.00 -0.50 0.10 0.00 0.00 0.00 179.97 179.52 1wi3 h TYR 61 N 0.00 0.00 -0.06 3.04 -0.00 -1.81 -3.26 116.97 114.87 1wi3 h TYR 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1wi3 h TYR 61 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.96 1wi3 h TYR 61 CO 0.00 0.24 0.00 -2.39 -0.00 0.00 0.00 178.16 176.01 1wi3 n HIS 62 N -3.05 0.08 -1.13 0.10 1.44 0.18 -5.05 115.22 107.79 1wi3 n HIS 62 Ca 0.01 -0.18 -0.37 0.00 -2.01 0.00 0.00 57.72 55.16 1wi3 n HIS 62 Cb 0.64 -0.01 0.03 0.00 0.12 0.00 0.00 29.99 30.76 1wi3 n HIS 62 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1wi3 n VAL 63 N 0.17 0.05 -0.15 0.61 3.14 0.22 -4.79 118.33 117.58 1wi3 n VAL 63 Ca 0.04 -0.49 -0.04 0.00 -2.96 0.00 0.00 64.34 60.88 1wi3 n VAL 63 Cb 0.20 -0.03 -0.04 0.00 -1.06 0.00 0.00 33.84 32.91 1wi3 n VAL 63 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1wi3 h LYS 64 N -0.50 -0.01 -6.60 1.45 3.64 -1.93 -3.40 116.57 109.22 1wi3 h LYS 64 Ca -0.43 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.40 1wi3 h LYS 64 Cb 1.37 0.00 0.19 0.00 -0.41 0.00 0.00 32.23 33.39 1wi3 h LYS 64 CO 0.33 -0.01 -0.54 0.72 -2.27 0.00 0.00 179.45 177.68 1wi3 n HIS 65 N -3.85 -1.22 -3.65 1.91 8.25 -1.26 -5.01 115.22 110.39 1wi3 n HIS 65 Ca 0.01 0.32 0.01 0.00 -0.26 0.00 0.00 57.72 57.80 1wi3 n HIS 65 Cb 0.10 -1.86 -0.06 0.00 1.12 0.00 0.00 29.99 29.29 1wi3 n HIS 65 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wi3 s SER 66 N -1.48 -0.09 -0.68 0.41 1.04 -1.26 -4.91 113.70 106.74 1wi3 s SER 66 Ca 0.63 0.16 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1wi3 s SER 66 Cb -0.33 0.88 0.17 0.00 0.10 0.00 0.00 66.02 66.84 1wi3 s SER 66 CO 0.61 -0.02 0.49 0.61 0.98 0.00 0.00 173.24 175.90 1wi3 n GLY 67 N 2.86 3.87 3.55 7.32 0.00 -1.26 -5.05 105.19 116.49 1wi3 n GLY 67 Ca -0.16 -2.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.01 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 -1.37 2.97 -0.12 1.61 0.04 -1.26 -4.75 135.00 132.12 1wi3 s PRO 68 Ca 0.26 -0.12 -0.13 0.00 0.04 0.00 0.00 61.00 61.06 1wi3 s PRO 68 Cb -0.03 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 1wi3 s PRO 68 CO -0.17 -2.55 -0.25 0.45 0.04 0.00 0.00 177.00 174.53 1wi3 n SER 69 N 11.14 1.47 -3.22 6.66 2.88 -1.26 -5.06 113.62 126.22 1wi3 n SER 69 Ca 0.20 0.25 -0.23 0.00 -1.33 0.00 0.00 58.87 57.76 1wi3 n SER 69 Cb 0.50 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1wi3 n SER 69 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi3 n SER 70 N -3.97 -6.65 -0.45 -3.46 3.41 -1.26 -5.34 113.62 95.90 1wi3 n SER 70 Ca -0.10 0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.65 1wi3 n SER 70 Cb 0.37 -3.48 0.05 0.00 -0.26 0.00 0.00 64.21 60.89 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49