#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 -8.17 -4.91 1.61 7.64 -1.26 -4.98 113.62 103.55 1wi3 n SER 2 Ca 0.00 1.14 -0.27 0.00 1.01 0.00 0.00 58.87 60.75 1wi3 n SER 2 Cb 0.00 -4.18 -0.02 0.00 -1.01 0.00 0.00 64.21 59.01 1wi3 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi3 s SER 3 N -1.48 6.36 -0.22 6.43 0.15 -1.26 -5.10 113.70 118.58 1wi3 s SER 3 Ca 0.00 0.81 -0.13 0.00 0.70 0.00 0.00 55.95 57.33 1wi3 s SER 3 Cb 0.00 -2.19 0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1wi3 s SER 3 CO 0.00 -0.40 0.55 -0.83 1.20 0.00 0.00 173.24 173.76 1wi3 s GLY 4 N -3.71 -0.47 0.34 9.45 0.00 -1.26 -5.04 107.32 106.63 1wi3 s GLY 4 Ca 0.46 1.93 0.00 0.00 0.00 0.00 0.00 44.72 47.10 1wi3 s GLY 4 CO 0.37 1.96 0.00 -1.26 0.00 0.00 0.00 173.10 174.18 1wi3 n SER 5 N 4.12 -2.67 -4.58 1.64 2.88 -1.26 -5.11 113.62 108.64 1wi3 n SER 5 Ca -0.21 0.64 -0.49 0.00 -1.33 0.00 0.00 58.87 57.48 1wi3 n SER 5 Cb 0.57 2.60 -0.04 0.00 -0.75 0.00 0.00 64.21 66.59 1wi3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi3 n SER 6 N -3.24 1.46 0.00 -3.46 7.64 -1.26 -4.86 113.62 109.90 1wi3 n SER 6 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1wi3 n SER 6 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1wi3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi3 n GLY 7 N 2.15 -1.74 0.14 0.23 0.00 -1.26 -5.08 105.19 99.63 1wi3 n GLY 7 Ca 0.16 0.77 -0.08 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 -0.23 -2.22 1.61 0.13 -2.07 -3.49 132.00 125.73 1wi3 h PRO 8 Ca 0.00 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1wi3 h PRO 8 Cb 0.00 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 31.02 1wi3 h PRO 8 CO 0.00 0.08 0.43 1.03 -0.23 0.00 0.00 178.00 179.30 1wi3 s ARG 9 N -2.82 0.87 -0.29 0.86 0.52 -1.26 -5.18 118.95 111.65 1wi3 s ARG 9 Ca -0.09 -0.18 -0.28 0.00 -0.52 0.00 0.00 55.73 54.66 1wi3 s ARG 9 Cb 0.00 0.41 0.19 0.00 0.52 0.00 0.00 34.95 36.07 1wi3 s ARG 9 CO 0.31 -0.35 1.38 -1.12 0.02 0.00 0.00 175.30 175.54 1wi3 s SER 10 N -2.11 -0.04 -0.81 0.23 0.01 -1.26 -5.10 113.70 104.62 1wi3 s SER 10 Ca 0.01 0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1wi3 s SER 10 Cb -0.01 0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.40 1wi3 s SER 10 CO -0.05 -0.03 0.95 -0.13 0.41 0.00 0.00 173.24 174.38 1wi3 s ARG 11 N -0.83 3.44 -0.69 12.44 0.52 -1.26 -4.63 118.95 127.93 1wi3 s ARG 11 Ca 0.09 -1.74 -0.09 0.00 -0.52 0.00 0.00 55.73 53.47 1wi3 s ARG 11 Cb -0.02 -4.61 0.01 0.00 0.52 0.00 0.00 34.95 30.85 1wi3 s ARG 11 CO -0.09 -1.63 0.58 0.25 0.02 0.00 0.00 175.30 174.43 1wi3 n THR 12 N 5.22 -3.17 -3.87 0.02 -2.24 -1.26 -4.93 114.28 104.05 1wi3 n THR 12 Ca 0.12 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 1wi3 n THR 12 Cb 0.47 -2.84 -0.15 0.00 -2.10 0.00 0.00 70.33 65.71 1wi3 n THR 12 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wi3 s LYS 13 N -4.20 1.10 -0.12 -0.78 1.02 -1.26 -5.09 119.74 110.41 1wi3 s LYS 13 Ca 0.09 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.70 1wi3 s LYS 13 Cb -0.01 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1wi3 s LYS 13 CO 0.84 -0.94 -0.23 0.42 -0.92 0.00 0.00 175.35 174.53 1wi3 s ILE 14 N 1.30 2.03 0.31 2.17 1.01 -1.26 -5.00 121.20 121.75 1wi3 s ILE 14 Ca 0.09 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1wi3 s ILE 14 Cb -0.18 -1.78 0.35 0.00 0.01 0.00 0.00 42.46 40.86 1wi3 s ILE 14 CO -0.17 0.55 1.61 0.28 0.00 0.00 0.00 174.94 177.21 1wi3 h SER 15 N 7.05 -0.10 0.00 3.58 0.02 -2.00 -3.46 113.55 118.64 1wi3 h SER 15 Ca -0.27 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1wi3 h SER 15 Cb 1.21 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1wi3 h SER 15 CO 0.51 -0.27 0.00 -0.11 -1.14 0.00 0.00 176.83 175.82 1wi3 n LEU 16 N -5.32 0.00 0.00 5.07 7.94 -1.26 -5.03 117.00 118.40 1wi3 n LEU 16 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1wi3 n LEU 16 Cb 0.82 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1wi3 n LEU 16 CO 0.01 0.00 0.15 -0.62 -1.11 0.00 0.00 177.39 175.82 1wi3 n GLU 17 N 0.00 0.00 -0.15 1.96 1.02 -1.26 0.20 120.64 122.41 1wi3 n GLU 17 Ca 0.00 0.30 0.03 0.00 -0.02 0.00 0.00 57.16 57.47 1wi3 n GLU 17 Cb 0.00 -0.72 0.06 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.37 0.11 -0.47 0.62 0.00 -1.26 0.17 120.51 118.31 1wi3 n ALA 18 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1wi3 n ALA 18 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -4.67 0.29 -0.47 0.00 7.94 0.12 -1.80 117.00 118.40 1wi3 n LEU 19 Ca 0.07 0.66 0.41 0.00 -1.11 0.00 0.00 56.01 56.04 1wi3 n LEU 19 Cb 0.22 -0.26 0.65 0.00 0.53 0.00 0.00 43.42 44.55 1wi3 n LEU 19 CO -0.05 -0.26 1.38 1.23 -1.11 0.00 0.00 177.39 178.58 1wi3 h GLY 20 N 0.00 0.00 0.28 -3.96 0.00 0.60 1.60 103.07 101.58 1wi3 h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1wi3 h GLY 20 CO 0.00 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.19 1wi3 h ILE 21 N 0.00 0.00 0.00 2.60 2.04 0.19 0.54 117.51 122.88 1wi3 h ILE 21 Ca 0.72 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.44 1wi3 h ILE 21 Cb 3.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1wi3 h ILE 21 CO -0.01 0.00 0.00 0.17 0.00 0.00 0.00 178.15 178.31 1wi3 h LEU 22 N -0.51 0.00 -0.38 1.44 -0.00 0.29 -2.24 115.31 113.91 1wi3 h LEU 22 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.65 1wi3 h LEU 22 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1wi3 h LEU 22 CO 0.06 0.00 -0.75 -0.61 -0.00 0.00 0.00 178.44 177.14 1wi3 h GLN 23 N 0.00 0.40 -0.09 0.17 -0.00 0.22 -2.25 115.11 113.56 1wi3 h GLN 23 Ca 0.00 -0.34 -0.12 0.00 -0.00 0.00 0.00 58.65 58.20 1wi3 h GLN 23 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1wi3 h GLN 23 CO 0.00 0.98 -0.46 1.03 0.00 0.00 0.00 178.83 180.38 1wi3 h SER 24 N 0.27 0.22 1.00 -0.69 0.87 -0.26 -2.68 113.55 112.28 1wi3 h SER 24 Ca -0.04 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.30 1wi3 h SER 24 Cb 1.33 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1wi3 h SER 24 CO 0.13 0.66 -0.58 0.15 -0.53 0.00 0.00 176.83 176.66 1wi3 h PHE 25 N 0.17 0.00 -0.48 2.24 3.04 -1.42 -2.30 116.94 118.18 1wi3 h PHE 25 Ca 0.01 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.84 1wi3 h PHE 25 Cb 0.89 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1wi3 h PHE 25 CO 0.01 0.58 -0.18 0.82 -2.02 0.00 0.00 178.31 177.53 1wi3 h ILE 26 N 0.00 1.27 0.00 1.41 2.04 -1.08 0.83 117.51 121.98 1wi3 h ILE 26 Ca -0.01 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1wi3 h ILE 26 Cb 1.23 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1wi3 h ILE 26 CO 0.08 0.46 0.00 -0.74 0.00 0.00 0.00 178.15 177.95 1wi3 h HIS 27 N 0.82 0.00 0.02 1.37 2.76 -1.45 1.34 115.15 120.02 1wi3 h HIS 27 Ca 0.11 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.05 1wi3 h HIS 27 Cb 0.75 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 1wi3 h HIS 27 CO 0.05 0.00 -1.28 0.22 -1.30 0.00 0.00 177.93 175.62 1wi3 h ASP 28 N 0.00 0.08 0.01 3.26 3.58 -0.82 -3.41 116.42 119.12 1wi3 h ASP 28 Ca 0.00 -0.62 -0.15 0.00 0.42 0.00 0.00 57.03 56.68 1wi3 h ASP 28 Cb 0.70 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1wi3 h ASP 28 CO 0.00 1.52 -0.83 -0.37 -2.88 0.00 0.00 179.24 176.68 1wi3 h VAL 29 N -0.82 1.23 0.00 2.25 -1.51 0.63 -3.51 116.25 114.52 1wi3 h VAL 29 Ca -0.33 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 62.88 1wi3 h VAL 29 Cb 1.41 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.23 1wi3 h VAL 29 CO -0.14 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.25 1wi3 n GLY 30 N 1.51 0.38 2.58 5.19 0.00 0.46 -4.87 105.19 110.44 1wi3 n GLY 30 Ca -0.24 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 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 2.96 -2.73 0.99 4.77 -1.26 -4.34 117.00 117.39 1wi3 n LEU 31 Ca 0.00 -4.95 -0.09 0.00 -0.03 0.00 0.00 56.01 50.95 1wi3 n LEU 31 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1wi3 n LEU 31 CO 0.00 2.13 0.30 -1.22 -1.33 0.00 0.00 177.39 177.27 1wi3 n TYR 32 N -0.14 -3.00 -1.52 -1.77 4.01 -1.26 -5.03 117.16 108.45 1wi3 n TYR 32 Ca 0.27 -2.03 -0.30 0.00 -0.16 0.00 0.00 57.90 55.68 1wi3 n TYR 32 Cb 0.62 1.62 0.19 0.00 -0.31 0.00 0.00 39.34 41.47 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 0.38 0.05 0.25 -0.72 0.04 -1.26 -5.10 135.00 128.65 1wi3 s PRO 33 Ca 0.25 -0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.22 1wi3 s PRO 33 Cb 0.27 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 33.01 1wi3 s PRO 33 CO -0.10 -2.86 -0.05 0.16 0.04 0.00 0.00 177.00 174.19 1wi3 s ASP 34 N -4.32 2.40 0.62 6.66 1.47 -1.26 -4.98 116.67 117.27 1wi3 s ASP 34 Ca 0.70 -1.18 0.25 0.00 1.18 0.00 0.00 52.55 53.50 1wi3 s ASP 34 Cb -0.08 -0.10 1.17 0.00 -0.34 0.00 0.00 42.92 43.56 1wi3 s ASP 34 CO 0.54 -0.39 1.62 1.56 0.68 0.00 0.00 175.17 179.19 1wi3 h GLN 35 N 2.38 0.00 0.03 2.11 4.20 -1.98 0.37 115.11 122.22 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 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1wi3 h GLN 35 CO 0.66 0.00 -0.01 1.49 -0.67 0.00 0.00 178.83 180.30 1wi3 h GLU 36 N 0.00 -0.03 -0.60 1.46 4.81 -1.98 -2.11 114.58 116.13 1wi3 h GLU 36 Ca 0.23 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1wi3 h GLU 36 Cb 1.68 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.03 1wi3 h GLU 36 CO -0.00 0.66 0.35 0.00 -0.73 0.00 0.00 179.01 179.29 1wi3 h ALA 37 N -0.16 0.78 -0.57 2.92 0.00 -0.79 -0.94 119.26 120.51 1wi3 h ALA 37 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wi3 h ALA 37 Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1wi3 h ALA 37 CO 0.01 0.06 0.37 0.82 0.00 0.00 0.00 179.25 180.50 1wi3 h ILE 38 N 0.67 1.15 -0.91 0.00 2.04 -0.86 -0.90 117.51 118.71 1wi3 h ILE 38 Ca 0.25 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1wi3 h ILE 38 Cb 0.08 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1wi3 h ILE 38 CO -0.13 0.15 0.55 0.45 0.00 0.00 0.00 178.15 179.17 1wi3 h HIS 39 N 0.77 1.00 -0.34 1.37 3.86 -0.57 0.57 115.15 121.80 1wi3 h HIS 39 Ca 0.21 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 1wi3 h HIS 39 Cb -0.08 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 1wi3 h HIS 39 CO -0.03 0.42 -0.14 1.15 0.86 0.00 0.00 177.93 180.18 1wi3 h THR 40 N 0.91 1.25 -0.08 2.45 2.02 -0.28 0.10 112.91 119.27 1wi3 h THR 40 Ca 0.44 -1.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.33 1wi3 h THR 40 Cb 0.38 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1wi3 h THR 40 CO -0.25 0.37 -0.68 -0.07 0.37 0.00 0.00 175.52 175.27 1wi3 h LEU 41 N 0.54 0.42 -0.26 2.58 3.38 0.43 0.74 115.31 123.14 1wi3 h LEU 41 Ca 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wi3 h LEU 41 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wi3 h LEU 41 CO 0.04 0.97 0.00 -1.28 0.09 0.00 0.00 178.44 178.26 1wi3 h SER 42 N 0.25 0.00 0.00 -0.43 0.87 0.50 -2.78 113.55 111.95 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 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1wi3 h SER 42 CO 0.11 0.00 -0.34 0.00 -0.53 0.00 0.00 176.83 176.07 1wi3 n ALA 43 N -1.93 0.30 -0.33 6.23 0.00 0.31 -0.65 120.51 124.44 1wi3 n ALA 43 Ca 0.04 -0.40 0.26 0.00 0.00 0.00 0.00 53.44 53.34 1wi3 n ALA 43 Cb 0.43 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.41 0.13 0.00 0.00 4.15 0.34 0.76 115.11 120.09 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 0.34 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1wi3 h GLN 44 CO 0.00 0.09 -1.91 1.28 -1.93 0.00 0.00 178.83 176.36 1wi3 n LEU 45 N -5.20 0.40 0.00 -2.39 4.77 -1.05 -4.97 117.00 108.56 1wi3 n LEU 45 Ca 0.33 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1wi3 n LEU 45 Cb 1.09 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.41 1wi3 n LEU 45 CO 0.04 0.28 0.00 -0.67 -1.33 0.00 0.00 177.39 175.71 1wi3 n ASP 46 N -2.75 -2.93 -4.95 -1.43 -0.08 0.27 -5.03 116.55 99.65 1wi3 n ASP 46 Ca -0.18 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.87 1wi3 n ASP 46 Cb 0.94 -0.49 0.01 0.00 2.34 0.00 0.00 41.12 43.92 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 3.69 0.73 -2.67 1.43 0.18 -4.88 118.68 117.16 1wi3 s LEU 47 Ca 0.00 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1wi3 s LEU 47 Cb 0.00 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.03 1wi3 s LEU 47 CO 0.00 -0.64 1.07 -2.16 0.23 0.00 0.00 176.35 174.85 1wi3 s PRO 48 N -4.53 2.68 0.03 1.29 0.04 -1.26 -4.00 135.00 129.25 1wi3 s PRO 48 Ca 0.47 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 1wi3 s PRO 48 Cb -0.10 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1wi3 s PRO 48 CO 0.38 -1.26 1.43 0.87 0.04 0.00 0.00 177.00 178.46 1wi3 h LYS 49 N -0.83 -0.22 -0.65 4.56 1.57 -1.93 -2.24 116.57 116.83 1wi3 h LYS 49 Ca -0.45 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1wi3 h LYS 49 Cb 1.23 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1wi3 h LYS 49 CO 0.57 0.05 0.04 1.12 -0.57 0.00 0.00 179.45 180.67 1wi3 h HIS 50 N -0.47 0.03 -0.07 -1.35 2.07 -1.97 1.49 115.15 114.87 1wi3 h HIS 50 Ca -0.02 0.05 0.04 0.00 -2.85 0.00 0.00 60.37 57.58 1wi3 h HIS 50 Cb 0.37 0.09 -0.05 0.00 2.57 0.00 0.00 27.41 30.39 1wi3 h HIS 50 CO 0.01 -0.15 -0.24 1.15 -3.07 0.00 0.00 177.93 175.62 1wi3 h THR 51 N 0.15 0.43 -0.27 6.12 2.02 -1.91 1.47 112.91 120.91 1wi3 h THR 51 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1wi3 h THR 51 Cb 0.57 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1wi3 h THR 51 CO -0.53 0.00 0.07 0.40 0.37 0.00 0.00 175.52 175.83 1wi3 h ILE 52 N -0.34 1.21 0.35 3.11 2.04 -0.48 -1.62 117.51 121.77 1wi3 h ILE 52 Ca 0.08 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1wi3 h ILE 52 Cb 0.46 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1wi3 h ILE 52 CO -0.27 0.22 -0.27 0.40 0.00 0.00 0.00 178.15 178.24 1wi3 h ILE 53 N 0.27 0.00 -0.89 -0.67 2.04 0.26 -0.01 117.51 118.50 1wi3 h ILE 53 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1wi3 h ILE 53 Cb 0.27 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.24 1wi3 h ILE 53 CO -0.00 0.00 -0.57 0.11 0.00 0.00 0.00 178.15 177.69 1wi3 h LYS 54 N -0.60 -0.05 -0.67 2.37 6.56 0.20 0.34 116.57 124.73 1wi3 h LYS 54 Ca -0.05 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.67 1wi3 h LYS 54 Cb 0.50 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 32.04 1wi3 h LYS 54 CO 0.01 -0.03 -0.30 0.35 -2.06 0.00 0.00 179.45 177.41 1wi3 h PHE 55 N -0.05 -0.80 -0.11 -1.35 3.57 -1.13 -0.28 116.94 116.78 1wi3 h PHE 55 Ca 0.14 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1wi3 h PHE 55 Cb 0.42 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1wi3 h PHE 55 CO -0.99 -0.37 -0.18 0.74 -2.23 0.00 0.00 178.31 175.28 1wi3 h PHE 56 N -0.11 -0.48 -0.91 0.41 0.04 0.15 -1.72 116.94 114.32 1wi3 h PHE 56 Ca 0.27 0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.21 1wi3 h PHE 56 Cb 0.55 0.23 -0.15 0.00 2.20 0.00 0.00 35.95 38.78 1wi3 h PHE 56 CO -0.65 -0.26 -0.37 1.96 -0.60 0.00 0.00 178.31 178.39 1wi3 h GLN 57 N -0.24 -0.03 -0.88 1.51 4.20 0.11 1.24 115.11 121.01 1wi3 h GLN 57 Ca 0.09 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1wi3 h GLN 57 Cb 0.38 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 1wi3 h GLN 57 CO -0.25 -0.02 0.56 -0.97 -0.67 0.00 0.00 178.83 177.47 1wi3 h ASN 58 N -0.04 0.90 -0.53 1.46 -1.24 -0.88 -0.21 115.58 115.06 1wi3 h ASN 58 Ca 0.33 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.40 1wi3 h ASN 58 Cb 0.59 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.40 1wi3 h ASN 58 CO -0.92 0.60 0.25 -0.61 -1.29 0.00 0.00 177.43 175.45 1wi3 h GLN 59 N 1.05 0.46 0.54 6.67 5.75 0.22 -1.36 115.11 128.44 1wi3 h GLN 59 Ca 0.37 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.81 1wi3 h GLN 59 Cb 0.09 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.54 1wi3 h GLN 59 CO -0.15 0.31 -0.26 -0.09 -2.65 0.00 0.00 178.83 175.99 1wi3 h ARG 60 N 0.48 -0.70 -0.90 1.69 2.43 0.39 -3.02 114.38 114.76 1wi3 h ARG 60 Ca 0.24 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.59 1wi3 h ARG 60 Cb 0.18 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 29.75 1wi3 h ARG 60 CO -0.19 -0.47 -0.36 0.98 -1.51 0.00 0.00 179.97 178.42 1wi3 n TYR 61 N -4.28 -0.01 -0.24 2.20 9.36 -0.18 0.06 117.16 124.06 1wi3 n TYR 61 Ca -0.09 1.10 -0.12 0.00 3.32 0.00 0.00 57.90 62.11 1wi3 n TYR 61 Cb 0.29 -0.81 -0.09 0.00 -0.63 0.00 0.00 39.34 38.09 1wi3 n TYR 61 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1wi3 h HIS 62 N 0.00 -1.74 -1.97 2.98 3.86 -1.25 -3.36 115.15 113.66 1wi3 h HIS 62 Ca 0.30 0.10 -0.59 0.00 -1.16 0.00 0.00 60.37 59.02 1wi3 h HIS 62 Cb 0.52 0.84 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1wi3 h HIS 62 CO -0.80 -0.45 1.40 0.28 0.86 0.00 0.00 177.93 179.22 1wi3 n VAL 63 N -5.34 0.45 -3.84 2.45 0.31 0.11 -4.93 118.33 107.54 1wi3 n VAL 63 Ca -0.01 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 1wi3 n VAL 63 Cb 0.32 -2.36 -0.11 0.00 -0.91 0.00 0.00 33.84 30.77 1wi3 n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wi3 s LYS 64 N 5.73 0.34 -1.11 5.55 1.02 -1.26 -4.93 119.74 125.09 1wi3 s LYS 64 Ca 0.98 -0.05 -0.06 0.00 0.02 0.00 0.00 55.97 56.86 1wi3 s LYS 64 Cb -0.44 0.15 0.29 0.00 -0.52 0.00 0.00 37.83 37.31 1wi3 s LYS 64 CO 0.40 -0.07 1.43 -2.39 -0.92 0.00 0.00 175.35 173.80 1wi3 n HIS 65 N 2.25 3.08 -3.60 3.18 1.44 -1.26 -4.92 115.22 115.39 1wi3 n HIS 65 Ca -0.17 -2.93 -0.04 0.00 -2.01 0.00 0.00 57.72 52.57 1wi3 n HIS 65 Cb 0.57 -1.44 -0.02 0.00 0.12 0.00 0.00 29.99 29.22 1wi3 n HIS 65 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wi3 s SER 66 N -0.73 -0.13 0.00 4.39 0.15 -1.26 -5.13 113.70 110.99 1wi3 s SER 66 Ca 0.32 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wi3 s SER 66 Cb 0.02 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1wi3 s SER 66 CO 0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wi3 n GLY 67 N 0.05 -0.33 0.07 9.45 0.00 -1.26 -5.00 105.19 108.16 1wi3 n GLY 67 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1wi3 n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi3 h PRO 68 N 0.00 -0.01 -6.58 1.61 0.13 -2.04 -3.44 132.00 121.66 1wi3 h PRO 68 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1wi3 h PRO 68 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1wi3 h PRO 68 CO 0.00 0.71 0.76 -1.12 -0.23 0.00 0.00 178.00 178.12 1wi3 s SER 69 N -5.93 6.75 0.00 1.44 0.01 -1.26 -4.51 113.70 110.20 1wi3 s SER 69 Ca -0.17 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1wi3 s SER 69 Cb -0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wi3 s SER 69 CO 0.66 -0.69 0.00 -0.24 0.41 0.00 0.00 173.24 173.38 1wi3 n SER 70 N 3.78 0.00 0.00 2.44 2.88 -1.26 -4.91 113.62 116.55 1wi3 n SER 70 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wi3 n SER 70 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42