#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 0.00 1.61 2.88 -1.26 -5.19 113.62 111.66 1wi3 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wi3 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wi3 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi3 n SER 3 N 0.00 0.00 -3.43 -3.46 7.64 -1.26 -5.19 113.62 107.92 1wi3 n SER 3 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1wi3 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wi3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi3 s GLY 4 N 0.00 0.08 -0.29 0.23 0.00 -1.26 -5.14 107.32 100.94 1wi3 s GLY 4 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.12 1wi3 s GLY 4 CO 0.00 0.21 1.24 -1.35 0.00 0.00 0.00 173.10 173.20 1wi3 s SER 5 N -3.05 -0.20 0.61 1.64 1.04 -1.26 -5.17 113.70 107.32 1wi3 s SER 5 Ca 0.14 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.79 1wi3 s SER 5 Cb -0.04 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1wi3 s SER 5 CO 0.08 -0.06 1.03 -0.55 0.98 0.00 0.00 173.24 174.72 1wi3 s SER 6 N 0.61 6.10 -0.35 7.02 0.15 -1.26 -5.05 113.70 120.93 1wi3 s SER 6 Ca -0.01 1.53 0.02 0.00 0.70 0.00 0.00 55.95 58.19 1wi3 s SER 6 Cb -0.04 -2.49 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 1wi3 s SER 6 CO -0.12 -0.95 0.73 -0.83 1.20 0.00 0.00 173.24 173.26 1wi3 s GLY 7 N -3.74 -1.27 1.07 9.45 0.00 -1.26 -5.11 107.32 106.45 1wi3 s GLY 7 Ca 0.57 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.00 1wi3 s GLY 7 CO 0.48 3.83 1.21 2.56 0.00 0.00 0.00 173.10 181.18 1wi3 s PRO 8 N 2.31 -0.21 0.61 2.90 0.04 -1.26 -4.91 135.00 134.48 1wi3 s PRO 8 Ca 0.15 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1wi3 s PRO 8 Cb -0.05 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1wi3 s PRO 8 CO -0.16 -3.01 0.00 0.54 0.04 0.00 0.00 177.00 174.41 1wi3 n ARG 9 N -4.23 -3.76 -3.65 4.56 1.74 -1.26 -5.03 116.66 105.03 1wi3 n ARG 9 Ca 0.14 2.99 -0.08 0.00 -0.77 0.00 0.00 57.85 60.13 1wi3 n ARG 9 Cb 0.59 -3.95 -0.07 0.00 -1.02 0.00 0.00 32.46 28.00 1wi3 n ARG 9 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wi3 s SER 10 N -6.24 -0.87 -0.30 0.55 1.04 -1.26 -5.04 113.70 101.58 1wi3 s SER 10 Ca 0.00 1.43 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 1wi3 s SER 10 Cb 0.00 1.32 0.18 0.00 0.10 0.00 0.00 66.02 67.61 1wi3 s SER 10 CO 0.00 -0.23 1.16 -0.60 0.98 0.00 0.00 173.24 174.55 1wi3 s ARG 11 N 1.47 0.10 0.12 4.02 3.00 -1.26 -5.18 118.95 121.23 1wi3 s ARG 11 Ca -0.09 0.19 -0.05 0.00 -1.00 0.00 0.00 55.73 54.78 1wi3 s ARG 11 Cb -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 34.95 34.98 1wi3 s ARG 11 CO -0.17 -0.10 0.15 -0.08 0.00 0.00 0.00 175.30 175.10 1wi3 s THR 12 N 2.86 0.12 -0.39 4.11 -1.32 -1.26 -5.08 115.64 114.68 1wi3 s THR 12 Ca -0.05 -1.56 0.04 0.00 -1.21 0.00 0.00 61.69 58.90 1wi3 s THR 12 Cb -0.08 -1.74 0.16 0.00 -1.51 0.00 0.00 72.50 69.33 1wi3 s THR 12 CO -0.10 -0.53 0.41 -0.54 -2.21 0.00 0.00 174.62 171.65 1wi3 s LYS 13 N -3.96 0.72 -0.25 7.08 -0.14 -1.26 -5.11 119.74 116.82 1wi3 s LYS 13 Ca 0.15 -1.06 -0.08 0.00 -1.36 0.00 0.00 55.97 53.62 1wi3 s LYS 13 Cb 0.06 -0.75 -0.04 0.00 -1.68 0.00 0.00 37.83 35.42 1wi3 s LYS 13 CO -0.03 -1.24 0.10 0.42 -0.76 0.00 0.00 175.35 173.84 1wi3 s ILE 14 N 1.18 4.63 0.30 2.17 1.01 -1.26 -4.97 121.20 124.26 1wi3 s ILE 14 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1wi3 s ILE 14 Cb -0.12 -3.17 0.42 0.00 0.01 0.00 0.00 42.46 39.61 1wi3 s ILE 14 CO -0.05 0.33 1.57 0.28 0.00 0.00 0.00 174.94 177.07 1wi3 h SER 15 N 8.08 -0.57 0.00 3.58 0.02 -2.01 -3.46 113.55 119.19 1wi3 h SER 15 Ca -0.37 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1wi3 h SER 15 Cb 1.18 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1wi3 h SER 15 CO 0.59 -0.35 0.00 -0.11 -1.14 0.00 0.00 176.83 175.82 1wi3 n LEU 16 N -5.52 0.00 0.00 5.07 7.94 -1.26 -5.03 117.00 118.20 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 0.70 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.65 1wi3 n LEU 16 CO -0.08 0.00 0.13 -0.62 -1.11 0.00 0.00 177.39 175.72 1wi3 n GLU 17 N 0.00 0.00 -0.18 1.96 4.71 -1.26 0.11 120.64 125.98 1wi3 n GLU 17 Ca 0.00 0.27 -0.05 0.00 -0.01 0.00 0.00 57.16 57.37 1wi3 n GLU 17 Cb 0.00 -0.67 -0.04 0.00 -1.01 0.00 0.00 31.44 29.72 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 -1.41 -0.28 -0.01 0.62 0.00 -1.26 0.19 120.51 118.37 1wi3 n ALA 18 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1wi3 n ALA 18 Cb 0.00 -0.06 -0.08 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 -1.42 -0.63 0.00 5.85 -1.35 -1.26 115.31 116.49 1wi3 h LEU 19 Ca 0.07 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1wi3 h LEU 19 Cb 0.18 0.55 -0.12 0.00 0.37 0.00 0.00 40.66 41.64 1wi3 h LEU 19 CO -0.41 -0.40 -0.21 1.23 -0.34 0.00 0.00 178.44 178.31 1wi3 h GLY 20 N -0.48 0.31 0.00 3.75 0.00 0.95 0.41 103.07 108.01 1wi3 h GLY 20 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1wi3 h GLY 20 CO -0.36 -0.24 0.00 1.39 0.00 0.00 0.00 176.54 177.33 1wi3 n ILE 21 N -5.45 0.00 -0.37 2.60 5.41 0.13 -0.04 119.36 121.64 1wi3 n ILE 21 Ca 0.07 1.20 0.28 0.00 1.00 0.00 0.00 62.75 65.31 1wi3 n ILE 21 Cb 0.35 -1.85 0.56 0.00 -0.71 0.00 0.00 39.64 37.99 1wi3 n ILE 21 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1wi3 h LEU 22 N 0.00 0.37 -0.80 1.39 8.10 -0.98 1.01 115.31 124.41 1wi3 h LEU 22 Ca 0.00 0.11 0.09 0.00 0.11 0.00 0.00 57.88 58.19 1wi3 h LEU 22 Cb 0.00 0.07 -0.07 0.00 -0.44 0.00 0.00 40.66 40.22 1wi3 h LEU 22 CO 0.00 -0.04 0.45 -0.61 -4.11 0.00 0.00 178.44 174.13 1wi3 h GLN 23 N 0.26 0.75 -0.71 0.17 -0.00 0.23 0.38 115.11 116.19 1wi3 h GLN 23 Ca 0.70 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.29 1wi3 h GLN 23 Cb 1.94 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 29.22 1wi3 h GLN 23 CO -0.37 0.50 0.41 1.03 0.00 0.00 0.00 178.83 180.40 1wi3 h SER 24 N 0.77 0.88 0.30 -0.69 0.87 0.48 -1.48 113.55 114.68 1wi3 h SER 24 Ca 0.38 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1wi3 h SER 24 Cb 0.33 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1wi3 h SER 24 CO -0.24 0.70 -0.27 0.15 -0.53 0.00 0.00 176.83 176.65 1wi3 h PHE 25 N 0.98 0.00 -0.25 2.24 3.04 -0.85 -1.12 116.94 120.98 1wi3 h PHE 25 Ca 0.25 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.13 1wi3 h PHE 25 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1wi3 h PHE 25 CO -0.01 0.27 -0.14 0.82 -2.02 0.00 0.00 178.31 177.23 1wi3 h ILE 26 N 0.00 1.30 0.00 1.41 2.04 -0.01 0.71 117.51 122.96 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 0.49 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1wi3 h ILE 26 CO 0.03 0.38 0.00 1.57 0.00 0.00 0.00 178.15 180.14 1wi3 n HIS 27 N -4.46 0.11 -0.10 1.37 -0.00 -0.70 0.16 115.22 111.60 1wi3 n HIS 27 Ca -0.04 0.04 -0.15 0.00 0.46 0.00 0.00 57.72 58.02 1wi3 n HIS 27 Cb 0.36 -0.56 -0.07 0.00 -0.12 0.00 0.00 29.99 29.60 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 -1.59 1.87 -0.04 0.26 8.00 -0.46 -4.61 116.55 119.98 1wi3 n ASP 28 Ca 0.05 0.46 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 1wi3 n ASP 28 Cb 0.25 -0.87 -0.13 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.70 0.00 2.53 -1.51 0.41 -3.51 116.25 114.87 1wi3 h VAL 29 Ca -0.24 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 1wi3 h VAL 29 Cb 1.05 3.21 0.00 0.00 -2.13 0.00 0.00 31.29 33.42 1wi3 h VAL 29 CO -0.14 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.41 1wi3 n GLY 30 N 1.47 0.82 2.72 5.19 0.00 0.43 -4.80 105.19 111.01 1wi3 n GLY 30 Ca -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 0.72 -3.01 0.99 4.77 -1.26 -4.36 117.00 114.85 1wi3 n LEU 31 Ca 0.00 -3.42 -0.17 0.00 -0.03 0.00 0.00 56.01 52.39 1wi3 n LEU 31 Cb 0.00 0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1wi3 n LEU 31 CO 0.00 1.46 -0.10 -1.22 -1.33 0.00 0.00 177.39 176.21 1wi3 n TYR 32 N -0.44 -1.61 -2.50 -1.77 4.01 -1.26 -5.03 117.16 108.55 1wi3 n TYR 32 Ca 0.04 -2.81 -0.40 0.00 -0.16 0.00 0.00 57.90 54.57 1wi3 n TYR 32 Cb 0.82 0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 40.25 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 -0.39 4.66 0.23 -0.72 0.04 -1.26 -5.04 135.00 132.51 1wi3 s PRO 33 Ca 0.34 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1wi3 s PRO 33 Cb 0.19 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1wi3 s PRO 33 CO -0.17 0.24 0.40 -0.51 0.04 0.00 0.00 177.00 177.00 1wi3 s ASP 34 N -0.87 6.35 0.59 6.66 1.11 -1.26 -4.85 116.67 124.39 1wi3 s ASP 34 Ca 0.44 0.30 0.33 0.00 0.18 0.00 0.00 52.55 53.80 1wi3 s ASP 34 Cb -0.31 -1.96 1.26 0.00 1.07 0.00 0.00 42.92 42.97 1wi3 s ASP 34 CO 0.40 -0.08 1.53 1.56 1.18 0.00 0.00 175.17 179.76 1wi3 h GLN 35 N 1.61 0.00 0.05 8.23 4.20 -1.99 1.17 115.11 128.39 1wi3 h GLN 35 Ca -0.49 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.12 1wi3 h GLN 35 Cb 1.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.00 1wi3 h GLN 35 CO 0.65 0.00 -0.42 1.49 -0.67 0.00 0.00 178.83 179.88 1wi3 h GLU 36 N 0.00 0.19 -0.64 1.46 4.81 -1.99 -2.49 114.58 115.92 1wi3 h GLU 36 Ca 0.53 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1wi3 h GLU 36 Cb 2.65 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 32.10 1wi3 h GLU 36 CO -0.01 1.08 0.42 0.00 -0.73 0.00 0.00 179.01 179.77 1wi3 h ALA 37 N 0.12 0.81 -0.67 2.92 0.00 0.88 -0.97 119.26 122.34 1wi3 h ALA 37 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wi3 h ALA 37 Cb 1.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1wi3 h ALA 37 CO 0.08 0.25 0.42 0.82 0.00 0.00 0.00 179.25 180.82 1wi3 h ILE 38 N 0.87 1.19 -0.91 0.00 2.04 -0.80 0.27 117.51 120.17 1wi3 h ILE 38 Ca 0.23 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1wi3 h ILE 38 Cb -0.08 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.18 1wi3 h ILE 38 CO -0.05 0.19 0.58 -0.74 0.00 0.00 0.00 178.15 178.14 1wi3 h HIS 39 N 0.91 1.08 -0.37 1.37 2.76 -0.87 0.59 115.15 120.62 1wi3 h HIS 39 Ca 0.24 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 1wi3 h HIS 39 Cb -0.05 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 1wi3 h HIS 39 CO -0.02 0.58 -0.22 1.15 -1.30 0.00 0.00 177.93 178.12 1wi3 h THR 40 N 1.08 1.27 -0.27 6.26 2.02 -0.32 -0.60 112.91 122.35 1wi3 h THR 40 Ca 0.39 -1.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 1wi3 h THR 40 Cb 0.11 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1wi3 h THR 40 CO -0.15 0.44 -0.47 -0.07 0.37 0.00 0.00 175.52 175.63 1wi3 h LEU 41 N 0.63 0.79 -0.49 2.58 3.38 0.37 0.96 115.31 123.53 1wi3 h LEU 41 Ca 0.09 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wi3 h LEU 41 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wi3 h LEU 41 CO 0.05 1.13 0.00 -1.28 0.09 0.00 0.00 178.44 178.44 1wi3 h SER 42 N 0.58 0.00 0.00 -0.43 0.87 0.38 -2.39 113.55 112.56 1wi3 h SER 42 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wi3 h SER 42 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1wi3 h SER 42 CO 0.10 0.00 -0.23 0.00 -0.53 0.00 0.00 176.83 176.17 1wi3 n ALA 43 N -1.81 0.20 -0.33 6.23 0.00 -0.26 -1.26 120.51 123.29 1wi3 n ALA 43 Ca 0.03 -0.37 0.18 0.00 0.00 0.00 0.00 53.44 53.29 1wi3 n ALA 43 Cb 0.31 0.01 0.36 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 -0.24 0.06 0.00 0.00 4.15 0.82 0.67 115.11 120.57 1wi3 h GLN 44 Ca 0.00 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 1wi3 h GLN 44 Cb 0.23 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1wi3 h GLN 44 CO 0.00 0.04 -1.70 1.28 -1.93 0.00 0.00 178.83 176.52 1wi3 n LEU 45 N -5.36 0.79 0.00 -2.39 4.77 -0.90 -4.97 117.00 108.94 1wi3 n LEU 45 Ca 0.26 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1wi3 n LEU 45 Cb 0.87 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1wi3 n LEU 45 CO -0.02 0.34 0.00 -0.67 -1.33 0.00 0.00 177.39 175.71 1wi3 n ASP 46 N -2.98 -2.40 -4.96 -1.43 2.03 0.23 -5.03 116.55 102.02 1wi3 n ASP 46 Ca -0.16 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.93 1wi3 n ASP 46 Cb 1.01 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 3.87 0.70 -2.67 1.43 -0.39 -4.88 118.68 116.73 1wi3 s LEU 47 Ca 0.00 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1wi3 s LEU 47 Cb 0.00 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1wi3 s LEU 47 CO 0.00 -0.49 1.06 -2.16 0.23 0.00 0.00 176.35 174.99 1wi3 s PRO 48 N -4.36 2.93 0.04 1.29 0.04 -1.26 -3.97 135.00 129.71 1wi3 s PRO 48 Ca 0.44 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1wi3 s PRO 48 Cb -0.10 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 1wi3 s PRO 48 CO 0.35 -1.10 1.48 0.87 0.04 0.00 0.00 177.00 178.63 1wi3 h LYS 49 N -0.72 -0.33 -0.68 4.56 1.57 -1.93 -1.78 116.57 117.26 1wi3 h LYS 49 Ca -0.44 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1wi3 h LYS 49 Cb 1.21 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 33.49 1wi3 h LYS 49 CO 0.57 -0.10 0.06 1.12 -0.57 0.00 0.00 179.45 180.54 1wi3 h HIS 50 N -0.53 0.07 0.47 -1.35 2.07 -1.97 0.80 115.15 114.71 1wi3 h HIS 50 Ca -0.04 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 1wi3 h HIS 50 Cb 0.39 0.08 -0.02 0.00 2.57 0.00 0.00 27.41 30.42 1wi3 h HIS 50 CO -0.01 -0.15 -0.48 1.15 -3.07 0.00 0.00 177.93 175.37 1wi3 h THR 51 N 0.17 0.00 -0.41 6.12 2.02 -1.90 1.42 112.91 120.33 1wi3 h THR 51 Ca 0.37 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.62 1wi3 h THR 51 Cb 0.62 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 1wi3 h THR 51 CO -0.54 0.00 0.04 0.40 0.37 0.00 0.00 175.52 175.78 1wi3 h ILE 52 N -0.95 0.73 0.62 3.11 2.04 -0.41 0.57 117.51 123.22 1wi3 h ILE 52 Ca -0.06 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1wi3 h ILE 52 Cb 0.82 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1wi3 h ILE 52 CO -0.06 0.03 -0.47 0.40 0.00 0.00 0.00 178.15 178.04 1wi3 h ILE 53 N 0.15 0.00 -0.07 -0.67 2.04 0.99 -0.98 117.51 118.98 1wi3 h ILE 53 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.07 1wi3 h ILE 53 Cb 0.27 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1wi3 h ILE 53 CO -0.31 0.00 -0.06 0.11 0.00 0.00 0.00 178.15 177.89 1wi3 h LYS 54 N -1.05 -0.03 -0.87 2.37 6.56 0.24 0.63 116.57 124.42 1wi3 h LYS 54 Ca -0.08 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.63 1wi3 h LYS 54 Cb 0.87 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.41 1wi3 h LYS 54 CO 0.02 -0.02 -0.38 0.34 -2.06 0.00 0.00 179.45 177.35 1wi3 n PHE 55 N -3.09 -0.07 -0.08 -1.35 7.35 0.15 0.38 117.46 120.75 1wi3 n PHE 55 Ca -0.00 1.07 -0.08 0.00 -0.76 0.00 0.00 57.45 57.68 1wi3 n PHE 55 Cb 0.03 -0.76 -0.02 0.00 0.35 0.00 0.00 39.48 39.09 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 -0.76 -0.99 -5.13 0.04 0.25 0.36 116.94 110.70 1wi3 h PHE 56 Ca 0.26 0.05 0.37 0.00 2.80 0.00 0.00 57.97 61.45 1wi3 h PHE 56 Cb 0.48 0.38 -0.18 0.00 2.20 0.00 0.00 35.95 38.83 1wi3 h PHE 56 CO -0.79 -0.35 0.44 1.96 -0.60 0.00 0.00 178.31 178.97 1wi3 h GLN 57 N -0.26 0.05 -0.18 1.51 1.08 0.21 1.38 115.11 118.91 1wi3 h GLN 57 Ca 0.15 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1wi3 h GLN 57 Cb 0.50 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1wi3 h GLN 57 CO -0.46 0.03 0.06 -0.97 -0.95 0.00 0.00 178.83 176.54 1wi3 h ASN 58 N 0.05 0.06 -0.56 1.46 -0.73 -0.57 0.23 115.58 115.52 1wi3 h ASN 58 Ca 0.78 0.02 0.07 0.00 1.87 0.00 0.00 56.30 59.04 1wi3 h ASN 58 Cb 1.96 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 40.50 1wi3 h ASN 58 CO -0.77 0.06 0.23 1.56 -0.37 0.00 0.00 177.43 178.14 1wi3 h GLN 59 N 0.14 0.42 0.62 6.67 1.08 0.20 -0.79 115.11 123.45 1wi3 h GLN 59 Ca 0.08 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1wi3 h GLN 59 Cb 0.05 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1wi3 h GLN 59 CO -0.08 0.28 -0.30 0.00 -0.95 0.00 0.00 178.83 177.78 1wi3 h ARG 60 N 0.44 -0.80 -0.88 1.46 3.08 -0.62 -0.78 114.38 116.27 1wi3 h ARG 60 Ca 0.27 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.61 1wi3 h ARG 60 Cb 0.27 0.18 -0.14 0.00 0.08 0.00 0.00 29.97 30.36 1wi3 h ARG 60 CO -0.24 -0.50 0.24 -0.92 -1.07 0.00 0.00 179.97 177.47 1wi3 h TYR 61 N -0.93 0.36 0.54 3.04 3.20 -0.21 -1.61 116.97 121.36 1wi3 h TYR 61 Ca -0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1wi3 h TYR 61 Cb 0.67 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.93 1wi3 h TYR 61 CO -0.01 -0.21 -0.26 0.45 -1.64 0.00 0.00 178.16 176.48 1wi3 h HIS 62 N 0.21 -0.68 -1.66 -3.82 3.86 -0.94 -3.42 115.15 108.69 1wi3 h HIS 62 Ca 0.55 -0.02 -0.71 0.00 -1.16 0.00 0.00 60.37 59.04 1wi3 h HIS 62 Cb 1.12 0.22 0.02 0.00 1.06 0.00 0.00 27.41 29.84 1wi3 h HIS 62 CO -0.26 -0.42 0.84 0.28 0.86 0.00 0.00 177.93 179.22 1wi3 n VAL 63 N -4.28 0.27 0.20 2.45 0.31 -0.32 -4.62 118.33 112.36 1wi3 n VAL 63 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1wi3 n VAL 63 Cb 0.29 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1wi3 n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1wi3 n LYS 64 N 4.93 0.00 0.36 5.55 4.81 -1.26 -4.86 118.16 127.68 1wi3 n LYS 64 Ca 0.24 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.51 1wi3 n LYS 64 Cb 0.17 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.13 1wi3 n LYS 64 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wi3 h HIS 65 N 0.00 -1.17 -3.29 5.64 3.86 -1.98 -3.40 115.15 114.82 1wi3 h HIS 65 Ca 0.00 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.64 1wi3 h HIS 65 Cb 0.00 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 1wi3 h HIS 65 CO 0.00 -0.64 0.51 0.45 0.86 0.00 0.00 177.93 179.11 1wi3 s SER 66 N -3.91 7.23 0.00 2.45 0.15 -1.26 -5.02 113.70 113.34 1wi3 s SER 66 Ca -0.16 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1wi3 s SER 66 Cb 0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wi3 s SER 66 CO 0.52 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wi3 n GLY 67 N 3.09 5.56 3.77 9.45 0.00 -1.26 -4.93 105.19 120.87 1wi3 n GLY 67 Ca 0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 1.82 0.07 -0.13 1.61 0.04 -1.26 -4.76 135.00 132.39 1wi3 s PRO 68 Ca 0.00 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 60.84 1wi3 s PRO 68 Cb 0.00 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.82 1wi3 s PRO 68 CO 0.00 -2.84 0.18 0.43 0.04 0.00 0.00 177.00 174.80 1wi3 n SER 69 N -4.14 -2.59 -4.53 6.66 7.64 -1.26 -4.83 113.62 110.57 1wi3 n SER 69 Ca 0.12 1.36 -0.42 0.00 1.01 0.00 0.00 58.87 60.94 1wi3 n SER 69 Cb 0.59 -4.62 0.01 0.00 -1.01 0.00 0.00 64.21 59.18 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 1.88 0.13 0.00 6.43 2.88 -1.26 -5.20 113.62 118.48 1wi3 n SER 70 Ca -0.30 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1wi3 n SER 70 Cb 0.46 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42