#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 -3.60 1.61 2.88 -1.26 -5.19 113.62 108.06 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 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1wi3 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi3 s SER 3 N 0.00 -0.05 0.00 -3.46 0.15 -1.26 -5.11 113.70 103.97 1wi3 s SER 3 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wi3 s SER 3 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1wi3 s SER 3 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wi3 n GLY 4 N -0.32 0.74 5.00 9.45 0.00 -1.26 -5.02 105.19 113.78 1wi3 n GLY 4 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -4.26 1.61 2.88 -1.26 -4.90 113.62 107.69 1wi3 n SER 5 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1wi3 n SER 5 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1wi3 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wi3 n SER 6 N 2.85 -2.85 -3.81 -3.46 2.88 -1.26 -5.03 113.62 102.93 1wi3 n SER 6 Ca 0.00 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1wi3 n SER 6 Cb 0.00 -0.97 -0.07 0.00 -0.75 0.00 0.00 64.21 62.43 1wi3 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi3 s GLY 7 N -1.69 1.19 -1.10 0.46 0.00 -1.26 -5.05 107.32 99.87 1wi3 s GLY 7 Ca 0.52 -1.38 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 1wi3 s GLY 7 CO 0.69 -1.02 2.06 -1.55 0.00 0.00 0.00 173.10 173.28 1wi3 n PRO 8 N -0.41 2.14 -3.77 2.90 -0.04 -1.26 -4.82 135.00 129.74 1wi3 n PRO 8 Ca 0.01 -2.22 -0.13 0.00 -0.04 0.00 0.00 63.50 61.12 1wi3 n PRO 8 Cb 0.63 -3.11 -0.09 0.00 -0.04 0.00 0.00 33.50 30.90 1wi3 n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wi3 s ARG 9 N 4.20 0.64 -0.28 0.54 3.52 -1.26 -5.12 118.95 121.19 1wi3 s ARG 9 Ca 0.53 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.67 1wi3 s ARG 9 Cb 0.14 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1wi3 s ARG 9 CO 0.02 -0.17 1.48 0.45 -0.81 0.00 0.00 175.30 176.28 1wi3 s SER 10 N -1.25 6.45 0.31 -2.12 0.15 -1.26 -4.98 113.70 111.00 1wi3 s SER 10 Ca -0.13 1.33 0.03 0.00 0.70 0.00 0.00 55.95 57.88 1wi3 s SER 10 Cb -0.05 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 1wi3 s SER 10 CO 0.04 -1.24 0.09 -0.60 1.20 0.00 0.00 173.24 172.72 1wi3 s ARG 11 N 4.58 1.60 0.61 5.44 3.52 -1.26 -5.01 118.95 128.42 1wi3 s ARG 11 Ca 0.65 -1.89 0.40 0.00 -0.13 0.00 0.00 55.73 54.76 1wi3 s ARG 11 Cb -0.20 -0.58 2.07 0.00 -1.56 0.00 0.00 34.95 34.68 1wi3 s ARG 11 CO 0.28 -0.27 2.22 0.00 -0.81 0.00 0.00 175.30 176.71 1wi3 h THR 12 N 2.18 0.00 -3.46 4.11 1.03 -2.05 -3.42 112.91 111.31 1wi3 h THR 12 Ca -0.39 -0.12 -0.53 0.00 -0.01 0.00 0.00 66.41 65.36 1wi3 h THR 12 Cb 1.25 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 69.39 1wi3 h THR 12 CO 0.64 0.00 0.41 -0.75 -0.01 0.00 0.00 175.52 175.81 1wi3 s LYS 13 N -3.97 4.60 0.02 0.00 2.20 -1.26 -4.98 119.74 116.34 1wi3 s LYS 13 Ca -0.03 1.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 1wi3 s LYS 13 Cb 0.11 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1wi3 s LYS 13 CO 0.42 0.03 1.58 0.42 -0.36 0.00 0.00 175.35 177.45 1wi3 s ILE 14 N 0.49 3.37 0.30 5.43 1.09 -1.26 -4.86 121.20 125.76 1wi3 s ILE 14 Ca 0.51 0.72 0.03 0.00 -1.10 0.00 0.00 60.65 60.80 1wi3 s ILE 14 Cb -0.24 -3.46 0.40 0.00 -1.06 0.00 0.00 42.46 38.10 1wi3 s ILE 14 CO 0.30 -0.02 1.49 -1.20 -0.10 0.00 0.00 174.94 175.41 1wi3 n SER 15 N 5.94 -0.09 0.00 3.58 7.64 -1.26 -4.82 113.62 124.61 1wi3 n SER 15 Ca 0.15 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.65 1wi3 n SER 15 Cb 0.42 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -5.41 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.81 1wi3 n LEU 16 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1wi3 n LEU 16 Cb 0.76 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.71 1wi3 n LEU 16 CO -0.07 0.00 0.12 -0.62 -1.11 0.00 0.00 177.39 175.71 1wi3 n GLU 17 N 0.00 0.00 -0.17 1.96 4.71 -1.26 0.12 120.64 126.00 1wi3 n GLU 17 Ca 0.00 0.25 0.01 0.00 -0.01 0.00 0.00 57.16 57.41 1wi3 n GLU 17 Cb 0.00 -0.63 0.04 0.00 -1.01 0.00 0.00 31.44 29.84 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 -1.39 0.03 -0.15 0.62 0.00 -1.26 0.72 120.51 119.09 1wi3 n ALA 18 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1wi3 n ALA 18 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1wi3 n ALA 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi3 n LEU 19 N -4.70 0.00 -0.31 0.00 -0.00 0.12 -1.62 117.00 110.48 1wi3 n LEU 19 Ca 0.06 0.93 0.09 0.00 -0.00 0.00 0.00 56.01 57.09 1wi3 n LEU 19 Cb 0.20 -0.43 0.21 0.00 -0.00 0.00 0.00 43.42 43.41 1wi3 n LEU 19 CO -0.06 -0.43 0.78 1.23 -0.00 0.00 0.00 177.39 178.92 1wi3 h GLY 20 N 0.00 0.99 -0.38 -3.96 0.00 0.44 1.71 103.07 101.87 1wi3 h GLY 20 Ca 0.00 0.17 0.18 0.00 0.00 0.00 0.00 47.33 47.68 1wi3 h GLY 20 CO 0.00 -0.41 0.03 -2.22 0.00 0.00 0.00 176.54 173.94 1wi3 h ILE 21 N 0.04 0.33 0.24 2.60 2.04 0.03 1.31 117.51 124.10 1wi3 h ILE 21 Ca 0.51 -0.04 -0.34 0.00 1.00 0.00 0.00 64.86 65.99 1wi3 h ILE 21 Cb 0.94 0.21 0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1wi3 h ILE 21 CO -0.85 0.02 -1.55 0.17 0.00 0.00 0.00 178.15 175.94 1wi3 h LEU 22 N 0.11 0.79 -1.68 1.44 8.10 0.15 -3.17 115.31 121.05 1wi3 h LEU 22 Ca 0.43 -0.91 0.14 0.00 0.11 0.00 0.00 57.88 57.65 1wi3 h LEU 22 Cb 0.77 -0.26 -0.04 0.00 -0.44 0.00 0.00 40.66 40.69 1wi3 h LEU 22 CO -0.67 1.73 0.46 -0.61 -4.11 0.00 0.00 178.44 175.24 1wi3 h GLN 23 N 0.14 0.32 0.13 0.17 -0.00 0.43 -0.03 115.11 116.27 1wi3 h GLN 23 Ca -0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.34 1wi3 h GLN 23 Cb 2.16 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 29.56 1wi3 h GLN 23 CO 0.25 0.21 -0.06 1.03 0.00 0.00 0.00 178.83 180.26 1wi3 h SER 24 N 0.33 -0.14 -0.45 -0.69 0.87 0.15 -2.70 113.55 110.92 1wi3 h SER 24 Ca 0.33 -0.37 0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1wi3 h SER 24 Cb 0.84 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1wi3 h SER 24 CO -0.09 0.33 0.32 0.15 -0.53 0.00 0.00 176.83 177.01 1wi3 h PHE 25 N -0.66 0.05 -0.19 2.24 3.04 -1.26 0.30 116.94 120.46 1wi3 h PHE 25 Ca -0.02 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1wi3 h PHE 25 Cb 0.50 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1wi3 h PHE 25 CO 0.07 0.02 -0.00 0.82 -2.02 0.00 0.00 178.31 177.20 1wi3 h ILE 26 N 0.05 1.26 0.00 1.41 2.04 -0.94 0.88 117.51 122.21 1wi3 h ILE 26 Ca 0.21 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1wi3 h ILE 26 Cb 0.78 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1wi3 h ILE 26 CO -0.01 0.27 0.00 1.57 0.00 0.00 0.00 178.15 179.98 1wi3 n HIS 27 N -4.69 0.10 -0.09 1.37 -0.00 -0.21 0.19 115.22 111.88 1wi3 n HIS 27 Ca -0.05 0.04 -0.14 0.00 0.46 0.00 0.00 57.72 58.03 1wi3 n HIS 27 Cb 0.23 -0.56 -0.06 0.00 -0.12 0.00 0.00 29.99 29.48 1wi3 n HIS 27 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1wi3 n ASP 28 N -1.59 1.86 -0.05 0.26 2.03 -0.08 -4.62 116.55 114.36 1wi3 n ASP 28 Ca 0.04 0.49 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 1wi3 n ASP 28 Cb 0.22 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 39.62 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wi3 h VAL 29 N -1.00 1.75 0.00 5.18 -1.51 0.79 -3.51 116.25 117.95 1wi3 h VAL 29 Ca -0.20 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1wi3 h VAL 29 Cb 0.98 3.32 0.00 0.00 -2.13 0.00 0.00 31.29 33.46 1wi3 h VAL 29 CO -0.12 0.61 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1wi3 n GLY 30 N 1.55 0.50 2.64 5.19 0.00 0.50 -4.85 105.19 110.72 1wi3 n GLY 30 Ca -0.10 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 1.99 -2.89 0.99 4.77 -1.26 -4.32 117.00 116.27 1wi3 n LEU 31 Ca 0.00 -3.86 -0.13 0.00 -0.03 0.00 0.00 56.01 52.00 1wi3 n LEU 31 Cb 0.00 0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1wi3 n LEU 31 CO 0.00 1.60 0.11 -1.22 -1.33 0.00 0.00 177.39 176.55 1wi3 n TYR 32 N -0.20 -1.97 -1.53 -1.77 4.01 -1.26 -5.05 117.16 109.39 1wi3 n TYR 32 Ca 0.14 -2.61 -0.29 0.00 -0.16 0.00 0.00 57.90 54.97 1wi3 n TYR 32 Cb 0.80 0.92 0.18 0.00 -0.31 0.00 0.00 39.34 40.92 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 -0.45 0.33 0.17 -0.72 0.04 -1.26 -5.09 135.00 128.02 1wi3 s PRO 33 Ca 0.30 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.38 1wi3 s PRO 33 Cb 0.28 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 33.00 1wi3 s PRO 33 CO -0.10 -2.69 -0.14 -0.51 0.04 0.00 0.00 177.00 173.60 1wi3 s ASP 34 N -4.26 2.34 0.57 6.66 1.01 -1.26 -4.97 116.67 116.77 1wi3 s ASP 34 Ca 0.69 -0.96 0.42 0.00 0.71 0.00 0.00 52.55 53.41 1wi3 s ASP 34 Cb -0.10 -0.10 1.48 0.00 1.01 0.00 0.00 42.92 45.21 1wi3 s ASP 34 CO 0.54 -0.18 1.52 1.56 0.21 0.00 0.00 175.17 178.82 1wi3 h GLN 35 N 2.87 0.00 0.00 8.23 4.20 -1.98 1.32 115.11 129.75 1wi3 h GLN 35 Ca -0.39 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 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 0.59 0.00 -0.00 1.49 -0.67 0.00 0.00 178.83 180.23 1wi3 h GLU 36 N 0.00 -0.01 -0.80 1.46 4.81 -1.98 -1.03 114.58 117.03 1wi3 h GLU 36 Ca 0.77 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 60.02 1wi3 h GLU 36 Cb 3.38 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.72 1wi3 h GLU 36 CO -0.01 0.73 0.53 0.00 -0.73 0.00 0.00 179.01 179.52 1wi3 h ALA 37 N 0.23 1.03 -0.33 2.92 0.00 0.12 -0.76 119.26 122.46 1wi3 h ALA 37 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wi3 h ALA 37 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wi3 h ALA 37 CO 0.00 0.40 0.13 0.82 0.00 0.00 0.00 179.25 180.60 1wi3 h ILE 38 N 1.06 1.19 -0.56 0.00 2.04 -0.74 -1.67 117.51 118.83 1wi3 h ILE 38 Ca 0.30 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.67 1wi3 h ILE 38 Cb -0.08 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1wi3 h ILE 38 CO -0.08 0.20 0.16 0.45 0.00 0.00 0.00 178.15 178.89 1wi3 h HIS 39 N 0.38 0.28 -0.52 1.37 3.86 -0.47 0.59 115.15 120.64 1wi3 h HIS 39 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1wi3 h HIS 39 Cb 0.20 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1wi3 h HIS 39 CO -0.00 0.04 0.30 1.15 0.86 0.00 0.00 177.93 180.28 1wi3 h THR 40 N 0.32 1.15 -0.12 2.45 2.02 -0.83 0.17 112.91 118.08 1wi3 h THR 40 Ca 0.29 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.92 1wi3 h THR 40 Cb 0.37 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1wi3 h THR 40 CO -0.33 0.16 -0.67 -0.07 0.37 0.00 0.00 175.52 174.99 1wi3 h LEU 41 N 0.71 0.57 -0.34 2.58 3.38 0.17 0.76 115.31 123.14 1wi3 h LEU 41 Ca 0.19 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wi3 h LEU 41 Cb -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1wi3 h LEU 41 CO -0.03 1.08 0.00 -1.28 0.09 0.00 0.00 178.44 178.30 1wi3 h SER 42 N 0.35 0.00 0.00 -0.43 0.87 0.12 -2.63 113.55 111.83 1wi3 h SER 42 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wi3 h SER 42 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1wi3 h SER 42 CO 0.12 0.00 -0.27 0.00 -0.53 0.00 0.00 176.83 176.15 1wi3 n ALA 43 N -1.80 0.24 -0.33 6.23 0.00 0.50 -1.38 120.51 123.98 1wi3 n ALA 43 Ca 0.04 -0.40 0.21 0.00 0.00 0.00 0.00 53.44 53.29 1wi3 n ALA 43 Cb 0.34 0.01 0.41 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.28 0.06 0.00 0.00 4.15 0.38 0.64 115.11 120.06 1wi3 h GLN 44 Ca 0.00 -0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 1wi3 h GLN 44 Cb 0.27 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 1wi3 h GLN 44 CO 0.00 0.04 -1.85 1.28 -1.93 0.00 0.00 178.83 176.37 1wi3 n LEU 45 N -5.34 0.70 0.00 -2.39 4.77 -0.99 -4.97 117.00 108.78 1wi3 n LEU 45 Ca 0.29 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1wi3 n LEU 45 Cb 0.95 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1wi3 n LEU 45 CO -0.01 0.41 0.00 -0.67 -1.33 0.00 0.00 177.39 175.79 1wi3 n ASP 46 N -2.98 -2.30 -4.97 -1.43 -0.08 0.22 -5.03 116.55 99.98 1wi3 n ASP 46 Ca -0.20 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.86 1wi3 n ASP 46 Cb 1.07 -0.45 -0.00 0.00 2.34 0.00 0.00 41.12 44.08 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 3.91 0.72 -2.67 1.43 -0.48 -4.89 118.68 116.71 1wi3 s LEU 47 Ca 0.00 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1wi3 s LEU 47 Cb 0.00 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.24 1wi3 s LEU 47 CO 0.00 -0.46 1.07 -2.16 0.23 0.00 0.00 176.35 175.03 1wi3 s PRO 48 N -4.31 2.73 0.03 1.29 0.04 -1.26 -3.99 135.00 129.53 1wi3 s PRO 48 Ca 0.44 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 1wi3 s PRO 48 Cb -0.10 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 1wi3 s PRO 48 CO 0.34 -1.22 1.44 0.87 0.04 0.00 0.00 177.00 178.47 1wi3 h LYS 49 N -0.81 -0.11 -0.60 4.56 1.57 -1.93 -1.53 116.57 117.73 1wi3 h LYS 49 Ca -0.45 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1wi3 h LYS 49 Cb 1.22 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.46 1wi3 h LYS 49 CO 0.57 0.17 0.03 1.12 -0.57 0.00 0.00 179.45 180.77 1wi3 h HIS 50 N -0.38 0.01 0.31 -1.35 2.07 -1.97 1.45 115.15 115.29 1wi3 h HIS 50 Ca -0.01 0.04 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1wi3 h HIS 50 Cb 0.33 0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.37 1wi3 h HIS 50 CO 0.02 -0.13 -0.30 1.15 -3.07 0.00 0.00 177.93 175.60 1wi3 h THR 51 N 0.14 0.38 -0.40 6.12 2.02 -1.91 1.45 112.91 120.71 1wi3 h THR 51 Ca 0.31 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.51 1wi3 h THR 51 Cb 0.50 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1wi3 h THR 51 CO -0.49 0.00 0.24 0.40 0.37 0.00 0.00 175.52 176.04 1wi3 h ILE 52 N -0.63 1.05 0.74 3.11 2.04 -0.20 -1.65 117.51 121.97 1wi3 h ILE 52 Ca -0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1wi3 h ILE 52 Cb 0.57 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1wi3 h ILE 52 CO -0.05 0.09 -0.41 0.40 0.00 0.00 0.00 178.15 178.17 1wi3 h ILE 53 N 0.48 0.16 -0.58 -0.67 2.04 0.24 -2.07 117.51 117.11 1wi3 h ILE 53 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1wi3 h ILE 53 Cb -0.01 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.16 1wi3 h ILE 53 CO -0.06 0.00 -0.35 0.11 0.00 0.00 0.00 178.15 177.84 1wi3 h LYS 54 N -1.07 -0.02 -0.70 2.37 6.56 0.22 -0.03 116.57 123.90 1wi3 h LYS 54 Ca -0.10 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.56 1wi3 h LYS 54 Cb 0.85 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.42 1wi3 h LYS 54 CO 0.13 -0.01 -0.50 0.35 -2.06 0.00 0.00 179.45 177.35 1wi3 h PHE 55 N -0.02 -1.58 -0.77 -1.35 3.57 -1.21 0.10 116.94 115.68 1wi3 h PHE 55 Ca 0.09 0.10 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1wi3 h PHE 55 Cb 0.26 0.78 -0.13 0.00 2.79 0.00 0.00 35.95 39.65 1wi3 h PHE 55 CO -0.97 -0.35 -0.39 0.74 -2.23 0.00 0.00 178.31 175.11 1wi3 h PHE 56 N -0.11 -1.11 -1.31 0.41 0.04 -0.35 1.21 116.94 115.72 1wi3 h PHE 56 Ca 0.11 0.09 0.38 0.00 2.80 0.00 0.00 57.97 61.35 1wi3 h PHE 56 Cb 0.40 0.60 -0.07 0.00 2.20 0.00 0.00 35.95 39.08 1wi3 h PHE 56 CO -0.92 -0.40 0.91 1.96 -0.60 0.00 0.00 178.31 179.27 1wi3 h GLN 57 N -0.10 0.08 -0.52 1.51 4.20 0.74 1.31 115.11 122.32 1wi3 h GLN 57 Ca 0.26 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.89 1wi3 h GLN 57 Cb 0.56 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1wi3 h GLN 57 CO -0.82 0.05 0.03 -0.97 -0.67 0.00 0.00 178.83 176.45 1wi3 h ASN 58 N 0.08 0.88 0.14 1.46 -1.24 0.20 -2.06 115.58 115.04 1wi3 h ASN 58 Ca 0.66 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 57.37 1wi3 h ASN 58 Cb 2.42 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 41.23 1wi3 h ASN 58 CO -0.11 0.95 -0.07 1.56 -1.29 0.00 0.00 177.43 178.48 1wi3 h GLN 59 N 0.78 -0.18 -0.13 6.67 1.08 0.20 -3.01 115.11 120.51 1wi3 h GLN 59 Ca 0.15 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 1wi3 h GLN 59 Cb 0.48 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1wi3 h GLN 59 CO 0.02 -0.09 -0.33 0.00 -0.95 0.00 0.00 178.83 177.48 1wi3 h ARG 60 N -0.23 -0.39 -0.89 1.46 3.08 -1.27 -2.23 114.38 113.91 1wi3 h ARG 60 Ca -0.02 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1wi3 h ARG 60 Cb 0.18 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.19 1wi3 h ARG 60 CO 0.03 -0.26 -0.43 0.98 -1.07 0.00 0.00 179.97 179.22 1wi3 n TYR 61 N -5.41 -0.17 -3.50 3.04 4.19 -0.78 -3.13 117.16 111.40 1wi3 n TYR 61 Ca -0.03 1.10 -0.42 0.00 3.31 0.00 0.00 57.90 61.86 1wi3 n TYR 61 Cb 0.33 -0.71 -0.08 0.00 0.49 0.00 0.00 39.34 39.38 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 -5.66 3.41 -0.04 2.98 3.76 -0.84 -5.03 115.29 113.87 1wi3 s HIS 62 Ca -0.11 -1.81 -0.06 0.00 -0.15 0.00 0.00 55.06 52.92 1wi3 s HIS 62 Cb 0.14 -3.56 0.01 0.00 1.11 0.00 0.00 32.58 30.28 1wi3 s HIS 62 CO 0.59 -0.99 0.16 0.54 -0.85 0.00 0.00 174.74 174.19 1wi3 s VAL 63 N 1.28 0.03 -0.26 -0.90 0.11 -1.18 -4.78 120.40 114.70 1wi3 s VAL 63 Ca 0.06 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1wi3 s VAL 63 Cb -0.26 -0.31 0.09 0.00 -1.53 0.00 0.00 36.38 34.37 1wi3 s VAL 63 CO -0.01 -0.13 0.09 -0.54 -3.33 0.00 0.00 175.10 171.19 1wi3 s LYS 64 N -0.41 0.46 -0.38 1.54 1.02 -1.26 -4.98 119.74 115.73 1wi3 s LYS 64 Ca -0.05 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1wi3 s LYS 64 Cb -0.03 -1.74 0.30 0.00 -0.52 0.00 0.00 37.83 35.85 1wi3 s LYS 64 CO 0.01 -0.88 1.23 0.72 -0.92 0.00 0.00 175.35 175.51 1wi3 n HIS 65 N 5.07 -1.46 -2.57 3.18 8.25 -1.26 -5.13 115.22 121.30 1wi3 n HIS 65 Ca -0.06 -1.23 -0.42 0.00 -0.26 0.00 0.00 57.72 55.75 1wi3 n HIS 65 Cb 0.44 1.33 -0.03 0.00 1.12 0.00 0.00 29.99 32.86 1wi3 n HIS 65 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wi3 s SER 66 N -0.68 7.16 0.00 0.41 0.15 -1.26 -5.01 113.70 114.47 1wi3 s SER 66 Ca 0.23 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1wi3 s SER 66 Cb 0.27 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1wi3 s SER 66 CO -0.14 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1wi3 n GLY 67 N 3.20 0.54 2.42 9.45 0.00 -1.26 -4.82 105.19 114.72 1wi3 n GLY 67 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1wi3 n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi3 n PRO 68 N 0.00 2.58 -2.38 1.61 -0.04 -1.26 -4.56 135.00 130.94 1wi3 n PRO 68 Ca 0.00 -1.61 -0.01 0.00 -0.04 0.00 0.00 63.50 61.84 1wi3 n PRO 68 Cb 0.00 -2.48 -0.01 0.00 -0.04 0.00 0.00 33.50 30.97 1wi3 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi3 n SER 69 N 3.72 -5.04 -4.73 3.54 2.88 -1.26 -4.92 113.62 107.81 1wi3 n SER 69 Ca 0.55 1.06 -0.42 0.00 -1.33 0.00 0.00 58.87 58.73 1wi3 n SER 69 Cb 0.26 -4.23 -0.03 0.00 -0.75 0.00 0.00 64.21 59.45 1wi3 n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi3 s SER 70 N -1.04 6.95 0.00 -3.46 1.04 -1.26 -5.19 113.70 110.74 1wi3 s SER 70 Ca -0.06 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1wi3 s SER 70 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wi3 s SER 70 CO 0.59 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.91