#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 -0.37 -1.22 1.61 1.04 -1.26 -5.08 113.70 108.43 1wi3 s SER 2 Ca 0.00 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 1wi3 s SER 2 Cb 0.00 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.62 1wi3 s SER 2 CO 0.00 -0.70 1.64 -0.44 0.98 0.00 0.00 173.24 174.72 1wi3 s SER 3 N -2.57 6.76 1.17 7.02 0.01 -1.26 -4.98 113.70 119.86 1wi3 s SER 3 Ca 0.05 -2.22 -0.13 0.00 1.31 0.00 0.00 55.95 54.96 1wi3 s SER 3 Cb -0.01 -2.57 0.28 0.00 0.21 0.00 0.00 66.02 63.93 1wi3 s SER 3 CO -0.08 -1.23 0.97 0.61 0.41 0.00 0.00 173.24 173.92 1wi3 n GLY 4 N 5.71 -2.00 3.59 3.44 0.00 -1.26 -5.06 105.19 109.61 1wi3 n GLY 4 Ca 0.44 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.38 -0.79 0.43 1.61 0.15 -1.26 -5.14 113.70 106.32 1wi3 s SER 5 Ca 0.68 1.16 0.00 0.00 0.70 0.00 0.00 55.95 58.50 1wi3 s SER 5 Cb -0.25 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1wi3 s SER 5 CO 0.65 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.72 1wi3 n SER 6 N 4.57 -7.96 0.00 5.45 7.64 -1.26 -5.08 113.62 116.97 1wi3 n SER 6 Ca -0.15 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1wi3 n SER 6 Cb 0.55 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 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 -4.14 -2.11 3.81 0.23 0.00 -1.26 -5.14 105.19 96.58 1wi3 n GLY 7 Ca -0.03 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.86 3.34 -0.20 1.61 0.04 -1.26 -5.07 135.00 131.61 1wi3 s PRO 8 Ca 0.00 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 1wi3 s PRO 8 Cb 0.00 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.60 1wi3 s PRO 8 CO 0.00 -0.79 0.85 1.03 0.04 0.00 0.00 177.00 178.14 1wi3 s ARG 9 N -4.18 0.75 0.00 4.56 0.52 -1.26 -5.10 118.95 114.25 1wi3 s ARG 9 Ca 0.62 0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 56.36 1wi3 s ARG 9 Cb -0.15 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.68 1wi3 s ARG 9 CO 0.38 -0.16 0.02 0.43 0.02 0.00 0.00 175.30 175.99 1wi3 n SER 10 N 1.72 -7.72 -3.66 0.23 7.64 -1.26 -5.07 113.62 105.50 1wi3 n SER 10 Ca -0.14 1.53 -0.06 0.00 1.01 0.00 0.00 58.87 61.20 1wi3 n SER 10 Cb 0.56 -4.53 -0.08 0.00 -1.01 0.00 0.00 64.21 59.15 1wi3 n SER 10 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wi3 s ARG 11 N -0.85 0.40 0.29 1.43 0.52 -1.26 -5.16 118.95 114.32 1wi3 s ARG 11 Ca -0.02 1.15 0.09 0.00 -0.52 0.00 0.00 55.73 56.43 1wi3 s ARG 11 Cb 0.00 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.90 1wi3 s ARG 11 CO 0.05 -0.23 0.04 -0.08 0.02 0.00 0.00 175.30 175.10 1wi3 s THR 12 N 2.66 3.34 0.00 0.02 -1.32 -1.26 -5.00 115.64 114.08 1wi3 s THR 12 Ca -0.03 -1.84 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 1wi3 s THR 12 Cb -0.12 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 1wi3 s THR 12 CO -0.15 -0.31 0.00 1.17 -2.21 0.00 0.00 174.62 173.12 1wi3 n LYS 13 N -0.98 0.00 -2.80 7.08 4.81 -1.26 -5.11 118.16 119.90 1wi3 n LYS 13 Ca -0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.97 1wi3 n LYS 13 Cb 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.61 1wi3 n LYS 13 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wi3 s ILE 14 N -0.20 4.89 0.32 3.15 1.09 -1.26 -4.92 121.20 124.26 1wi3 s ILE 14 Ca 0.00 1.86 0.07 0.00 -1.10 0.00 0.00 60.65 61.48 1wi3 s ILE 14 Cb 0.00 -4.23 0.39 0.00 -1.06 0.00 0.00 42.46 37.56 1wi3 s ILE 14 CO 0.00 0.12 1.51 -1.20 -0.10 0.00 0.00 174.94 175.27 1wi3 n SER 15 N 4.35 0.01 0.00 3.58 7.64 -1.26 -4.82 113.62 123.12 1wi3 n SER 15 Ca 0.05 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1wi3 n SER 15 Cb 0.50 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -5.36 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.86 1wi3 n LEU 16 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1wi3 n LEU 16 Cb 0.88 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.83 1wi3 n LEU 16 CO -0.05 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.75 1wi3 n GLU 17 N 0.00 0.00 -0.17 1.96 1.02 -1.26 0.52 120.64 122.71 1wi3 n GLU 17 Ca 0.00 0.29 0.03 0.00 -0.02 0.00 0.00 57.16 57.46 1wi3 n GLU 17 Cb 0.00 -0.68 0.06 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.27 0.11 -0.34 0.62 0.00 -1.26 0.93 120.51 119.30 1wi3 n ALA 18 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1wi3 n ALA 18 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -4.76 0.00 -0.43 0.00 -0.00 0.15 -1.10 117.00 110.86 1wi3 n LEU 19 Ca 0.07 0.83 0.36 0.00 -0.00 0.00 0.00 56.01 57.27 1wi3 n LEU 19 Cb 0.23 -0.33 0.64 0.00 -0.00 0.00 0.00 43.42 43.96 1wi3 n LEU 19 CO -0.06 -0.33 1.24 1.23 -0.00 0.00 0.00 177.39 179.47 1wi3 h GLY 20 N 0.00 1.24 0.93 -3.96 0.00 0.48 1.68 103.07 103.45 1wi3 h GLY 20 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1wi3 h GLY 20 CO 0.00 -0.36 -0.18 -2.22 0.00 0.00 0.00 176.54 173.79 1wi3 h ILE 21 N 0.11 0.63 -0.09 2.60 2.04 0.96 0.45 117.51 124.22 1wi3 h ILE 21 Ca 0.79 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 66.45 1wi3 h ILE 21 Cb 2.48 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1wi3 h ILE 21 CO -0.39 0.00 -0.79 0.17 0.00 0.00 0.00 178.15 177.14 1wi3 h LEU 22 N -0.46 0.65 -0.86 1.44 8.10 0.19 -2.90 115.31 121.47 1wi3 h LEU 22 Ca -0.03 -0.44 0.06 0.00 0.11 0.00 0.00 57.88 57.57 1wi3 h LEU 22 Cb 0.38 -0.19 -0.06 0.00 -0.44 0.00 0.00 40.66 40.34 1wi3 h LEU 22 CO 0.04 1.21 0.53 -0.61 -4.11 0.00 0.00 178.44 175.50 1wi3 h GLN 23 N 0.35 0.95 0.02 0.17 4.15 0.24 -1.05 115.11 119.94 1wi3 h GLN 23 Ca -0.05 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1wi3 h GLN 23 Cb 1.39 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1wi3 h GLN 23 CO 0.15 0.63 -0.01 1.03 -1.93 0.00 0.00 178.83 178.69 1wi3 h SER 24 N 0.98 -0.02 -0.90 -0.69 0.87 -0.05 -2.60 113.55 111.12 1wi3 h SER 24 Ca 0.37 -0.18 0.17 0.00 -1.23 0.00 0.00 61.79 60.93 1wi3 h SER 24 Cb 0.16 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 1wi3 h SER 24 CO -0.17 0.16 0.58 0.15 -0.53 0.00 0.00 176.83 177.03 1wi3 h PHE 25 N -0.21 0.74 -0.20 2.24 3.04 -1.21 0.94 116.94 122.28 1wi3 h PHE 25 Ca -0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1wi3 h PHE 25 Cb 0.20 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1wi3 h PHE 25 CO -0.01 0.23 0.11 0.82 -2.02 0.00 0.00 178.31 177.44 1wi3 h ILE 26 N 0.59 1.09 0.00 1.41 2.04 -0.85 1.49 117.51 123.28 1wi3 h ILE 26 Ca 0.47 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1wi3 h ILE 26 Cb 0.91 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1wi3 h ILE 26 CO -0.22 0.09 0.00 1.57 0.00 0.00 0.00 178.15 179.59 1wi3 n HIS 27 N -4.91 0.00 -0.08 1.37 -0.00 -0.01 0.19 115.22 111.78 1wi3 n HIS 27 Ca -0.04 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.07 1wi3 n HIS 27 Cb 0.06 -0.48 -0.03 0.00 -0.12 0.00 0.00 29.99 29.42 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 -1.48 1.87 -0.08 0.26 -0.08 0.12 -4.70 116.55 112.46 1wi3 n ASP 28 Ca 0.05 0.50 -0.16 0.00 -1.51 0.00 0.00 54.79 53.66 1wi3 n ASP 28 Cb 0.20 -0.82 -0.13 0.00 2.34 0.00 0.00 41.12 42.71 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1wi3 h VAL 29 N -1.00 1.59 0.00 5.18 -1.51 0.20 -3.51 116.25 117.20 1wi3 h VAL 29 Ca -0.04 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.12 1wi3 h VAL 29 Cb 0.77 3.12 0.00 0.00 -2.13 0.00 0.00 31.29 33.06 1wi3 h VAL 29 CO -0.02 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 1wi3 n GLY 30 N 1.57 0.49 2.63 5.19 0.00 0.51 -4.93 105.19 110.66 1wi3 n GLY 30 Ca -0.15 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 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 3.20 -2.72 0.99 4.77 -1.26 -4.19 117.00 117.79 1wi3 n LEU 31 Ca 0.00 -5.25 -0.08 0.00 -0.03 0.00 0.00 56.01 50.65 1wi3 n LEU 31 Cb 0.00 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1wi3 n LEU 31 CO 0.00 2.25 0.38 0.00 -1.33 0.00 0.00 177.39 178.69 1wi3 n TYR 32 N -0.11 -2.47 -1.53 -1.77 0.18 -1.26 -4.99 117.16 105.21 1wi3 n TYR 32 Ca 0.28 -1.72 -0.29 0.00 1.88 0.00 0.00 57.90 58.05 1wi3 n TYR 32 Cb 0.54 1.51 0.18 0.00 -0.38 0.00 0.00 39.34 41.19 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1wi3 s PRO 33 N 0.34 0.39 0.36 -3.48 0.04 -1.26 -5.09 135.00 126.29 1wi3 s PRO 33 Ca 0.25 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.36 1wi3 s PRO 33 Cb 0.27 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.96 1wi3 s PRO 33 CO -0.13 -2.65 -0.01 -0.51 0.04 0.00 0.00 177.00 173.74 1wi3 s ASP 34 N -4.23 3.40 0.62 6.66 1.01 -1.26 -4.94 116.67 117.92 1wi3 s ASP 34 Ca 0.68 -1.31 0.25 0.00 0.71 0.00 0.00 52.55 52.88 1wi3 s ASP 34 Cb -0.10 -0.30 1.17 0.00 1.01 0.00 0.00 42.92 44.70 1wi3 s ASP 34 CO 0.54 -0.42 1.62 1.56 0.21 0.00 0.00 175.17 178.68 1wi3 h GLN 35 N 1.96 0.00 0.00 8.23 1.08 -1.98 0.39 115.11 124.79 1wi3 h GLN 35 Ca -0.42 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1wi3 h GLN 35 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1wi3 h GLN 35 CO 0.75 0.00 -0.00 1.49 -0.95 0.00 0.00 178.83 180.12 1wi3 h GLU 36 N 0.00 -0.00 -0.99 1.46 4.81 -1.99 -2.31 114.58 115.56 1wi3 h GLU 36 Ca 0.23 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 1wi3 h GLU 36 Cb 1.70 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.02 1wi3 h GLU 36 CO -0.00 0.79 0.64 0.00 -0.73 0.00 0.00 179.01 179.71 1wi3 h ALA 37 N -0.19 1.34 -0.42 2.92 0.00 -0.78 -0.89 119.26 121.23 1wi3 h ALA 37 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wi3 h ALA 37 Cb 0.79 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wi3 h ALA 37 CO 0.00 0.50 0.14 0.82 0.00 0.00 0.00 179.25 180.70 1wi3 h ILE 38 N 1.22 1.22 -1.00 0.00 2.04 -0.67 -1.38 117.51 118.93 1wi3 h ILE 38 Ca 0.41 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.65 1wi3 h ILE 38 Cb 0.07 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1wi3 h ILE 38 CO -0.14 0.26 0.64 -0.74 0.00 0.00 0.00 178.15 178.16 1wi3 h HIS 39 N 0.54 1.16 -0.25 1.37 2.76 -0.66 0.54 115.15 120.61 1wi3 h HIS 39 Ca 0.14 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 1wi3 h HIS 39 Cb 0.26 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1wi3 h HIS 39 CO 0.01 0.52 -0.26 1.15 -1.30 0.00 0.00 177.93 178.05 1wi3 h THR 40 N 1.06 1.27 -0.10 6.26 2.02 -0.68 -0.41 112.91 122.33 1wi3 h THR 40 Ca 0.47 -1.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.18 1wi3 h THR 40 Cb 0.37 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1wi3 h THR 40 CO -0.23 0.41 -0.72 -0.07 0.37 0.00 0.00 175.52 175.27 1wi3 h LEU 41 N 0.43 0.56 -0.44 2.58 3.38 0.23 0.69 115.31 122.74 1wi3 h LEU 41 Ca 0.06 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wi3 h LEU 41 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wi3 h LEU 41 CO 0.05 1.11 0.00 -1.28 0.09 0.00 0.00 178.44 178.41 1wi3 h SER 42 N 0.32 0.00 0.00 -0.43 0.87 0.30 -2.56 113.55 112.05 1wi3 h SER 42 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wi3 h SER 42 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1wi3 h SER 42 CO 0.13 0.00 -0.27 0.00 -0.53 0.00 0.00 176.83 176.15 1wi3 n ALA 43 N -1.85 0.24 -0.33 6.23 0.00 -0.19 -1.23 120.51 123.38 1wi3 n ALA 43 Ca 0.04 -0.39 0.22 0.00 0.00 0.00 0.00 53.44 53.31 1wi3 n ALA 43 Cb 0.35 0.01 0.43 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.29 0.07 0.00 0.00 4.15 0.26 0.64 115.11 119.93 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 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1wi3 h GLN 44 CO 0.00 0.04 -1.87 1.28 -1.93 0.00 0.00 178.83 176.35 1wi3 n LEU 45 N -5.31 0.66 0.00 -2.39 4.77 -0.97 -4.97 117.00 108.79 1wi3 n LEU 45 Ca 0.30 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1wi3 n LEU 45 Cb 0.98 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1wi3 n LEU 45 CO -0.00 0.41 0.00 -0.67 -1.33 0.00 0.00 177.39 175.80 1wi3 n ASP 46 N -2.97 -2.40 -4.96 -1.43 2.03 0.22 -5.03 116.55 102.00 1wi3 n ASP 46 Ca -0.21 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.89 1wi3 n ASP 46 Cb 1.07 -0.45 -0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 3.92 0.75 -2.67 1.43 -0.37 -4.89 118.68 116.85 1wi3 s LEU 47 Ca 0.00 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1wi3 s LEU 47 Cb 0.00 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.24 1wi3 s LEU 47 CO 0.00 -0.45 1.08 -2.16 0.23 0.00 0.00 176.35 175.05 1wi3 s PRO 48 N -4.31 2.49 0.02 1.29 0.04 -1.26 -3.97 135.00 129.30 1wi3 s PRO 48 Ca 0.44 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1wi3 s PRO 48 Cb -0.10 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.32 1wi3 s PRO 48 CO 0.34 -1.37 1.39 0.87 0.04 0.00 0.00 177.00 178.27 1wi3 h LYS 49 N -0.91 -0.20 -0.44 4.56 1.57 -1.93 -1.77 116.57 117.44 1wi3 h LYS 49 Ca -0.45 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1wi3 h LYS 49 Cb 1.24 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 1wi3 h LYS 49 CO 0.58 0.10 -0.25 1.12 -0.57 0.00 0.00 179.45 180.43 1wi3 h HIS 50 N -0.50 -0.65 -0.35 -1.35 2.07 -1.97 1.54 115.15 113.93 1wi3 h HIS 50 Ca -0.02 0.05 0.07 0.00 -2.85 0.00 0.00 60.37 57.62 1wi3 h HIS 50 Cb 0.39 0.35 -0.07 0.00 2.57 0.00 0.00 27.41 30.65 1wi3 h HIS 50 CO 0.02 -0.32 -0.09 1.15 -3.07 0.00 0.00 177.93 175.62 1wi3 h THR 51 N -0.16 0.65 0.27 6.12 2.02 -1.93 1.43 112.91 121.30 1wi3 h THR 51 Ca 0.20 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1wi3 h THR 51 Cb 0.48 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1wi3 h THR 51 CO -0.54 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 175.62 1wi3 h ILE 52 N 0.00 0.77 0.30 3.11 2.04 -0.14 -1.92 117.51 121.68 1wi3 h ILE 52 Ca 0.17 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1wi3 h ILE 52 Cb 0.26 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1wi3 h ILE 52 CO -0.37 0.07 -0.49 0.40 0.00 0.00 0.00 178.15 177.77 1wi3 h ILE 53 N -0.53 0.05 -0.49 -0.67 2.04 0.27 -0.64 117.51 117.54 1wi3 h ILE 53 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1wi3 h ILE 53 Cb 0.39 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1wi3 h ILE 53 CO 0.06 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 178.03 1wi3 h LYS 54 N -0.85 -0.00 -0.74 2.37 6.56 0.20 0.64 116.57 124.75 1wi3 h LYS 54 Ca -0.03 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.70 1wi3 h LYS 54 Cb 0.79 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.32 1wi3 h LYS 54 CO -0.17 -0.00 -0.27 0.35 -2.06 0.00 0.00 179.45 177.30 1wi3 h PHE 55 N -0.00 -0.69 0.07 -1.35 3.57 -1.07 -0.07 116.94 117.40 1wi3 h PHE 55 Ca 0.08 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1wi3 h PHE 55 Cb 0.21 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1wi3 h PHE 55 CO -0.98 -0.36 -0.22 0.74 -2.23 0.00 0.00 178.31 175.26 1wi3 h PHE 56 N -0.06 -0.59 -0.96 0.41 0.04 0.10 -0.38 116.94 115.51 1wi3 h PHE 56 Ca 0.32 0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.33 1wi3 h PHE 56 Cb 0.57 0.25 -0.18 0.00 2.20 0.00 0.00 35.95 38.79 1wi3 h PHE 56 CO -0.66 -0.31 -0.11 1.96 -0.60 0.00 0.00 178.31 178.59 1wi3 h GLN 57 N -0.39 0.01 -0.07 1.51 4.20 0.20 0.61 115.11 121.19 1wi3 h GLN 57 Ca 0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1wi3 h GLN 57 Cb 0.43 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wi3 h GLN 57 CO -0.15 0.01 0.00 -0.97 -0.67 0.00 0.00 178.83 177.05 1wi3 h ASN 58 N 0.01 0.12 -0.99 1.46 -1.24 -0.78 -3.12 115.58 111.03 1wi3 h ASN 58 Ca 0.51 -0.29 0.15 0.00 0.71 0.00 0.00 56.30 57.38 1wi3 h ASN 58 Cb 0.92 -0.03 -0.16 0.00 0.73 0.00 0.00 38.32 39.78 1wi3 h ASN 58 CO -0.94 0.38 -0.42 1.56 -1.29 0.00 0.00 177.43 176.73 1wi3 h GLN 59 N -0.15 -0.00 -0.49 6.67 1.08 0.19 0.18 115.11 122.58 1wi3 h GLN 59 Ca 0.02 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1wi3 h GLN 59 Cb 0.32 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 1wi3 h GLN 59 CO 0.00 -0.00 -0.54 0.00 -0.95 0.00 0.00 178.83 177.34 1wi3 h ARG 60 N -0.00 -0.30 -0.83 1.46 3.08 -1.14 0.45 114.38 117.10 1wi3 h ARG 60 Ca 0.32 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.56 1wi3 h ARG 60 Cb 0.57 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 1wi3 h ARG 60 CO -0.98 -0.20 0.55 -0.92 -1.07 0.00 0.00 179.97 177.35 1wi3 h TYR 61 N -0.31 0.53 -3.71 3.04 3.20 -0.78 -3.21 116.97 115.72 1wi3 h TYR 61 Ca 0.08 0.02 -0.77 0.00 3.14 0.00 0.00 58.73 61.20 1wi3 h TYR 61 Cb 0.54 -0.16 -0.28 0.00 1.54 0.00 0.00 36.73 38.36 1wi3 h TYR 61 CO -0.78 0.18 0.07 -1.01 -1.64 0.00 0.00 178.16 174.98 1wi3 s HIS 62 N -5.43 3.80 -0.16 -3.82 3.76 0.16 -4.98 115.29 108.61 1wi3 s HIS 62 Ca -0.08 -2.29 -0.10 0.00 -0.15 0.00 0.00 55.06 52.44 1wi3 s HIS 62 Cb 0.22 -3.69 0.05 0.00 1.11 0.00 0.00 32.58 30.27 1wi3 s HIS 62 CO 0.78 -0.94 0.40 0.54 -0.85 0.00 0.00 174.74 174.66 1wi3 s VAL 63 N -0.20 -0.02 -0.49 -0.90 0.11 -1.21 -4.70 120.40 112.99 1wi3 s VAL 63 Ca 0.20 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1wi3 s VAL 63 Cb -0.11 -0.59 0.13 0.00 -1.53 0.00 0.00 36.38 34.28 1wi3 s VAL 63 CO -0.08 0.03 0.25 -0.54 -3.33 0.00 0.00 175.10 171.43 1wi3 s LYS 64 N 1.19 1.75 -0.36 1.54 3.01 -1.26 -4.90 119.74 120.71 1wi3 s LYS 64 Ca -0.08 -2.41 -0.25 0.00 -1.01 0.00 0.00 55.97 52.22 1wi3 s LYS 64 Cb -0.08 -3.02 0.04 0.00 -1.01 0.00 0.00 37.83 33.76 1wi3 s LYS 64 CO -0.10 -1.12 0.49 0.72 0.51 0.00 0.00 175.35 175.85 1wi3 n HIS 65 N 3.28 -2.51 -3.56 3.18 8.25 -1.26 -4.92 115.22 117.66 1wi3 n HIS 65 Ca 0.06 1.05 -0.37 0.00 -0.26 0.00 0.00 57.72 58.20 1wi3 n HIS 65 Cb 0.33 -2.31 -0.07 0.00 1.12 0.00 0.00 29.99 29.06 1wi3 n HIS 65 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wi3 s SER 66 N -1.65 6.47 0.72 0.41 0.01 -1.26 -4.79 113.70 113.62 1wi3 s SER 66 Ca 0.26 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1wi3 s SER 66 Cb -0.04 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1wi3 s SER 66 CO 0.70 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.11 1wi3 n GLY 67 N 3.09 1.32 2.66 3.44 0.00 -1.26 -3.69 105.19 110.75 1wi3 n GLY 67 Ca -0.13 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 5.57 2.52 -3.41 1.61 -0.04 -1.26 -4.82 135.00 135.17 1wi3 n PRO 68 Ca 0.00 -1.95 -0.44 0.00 -0.04 0.00 0.00 63.50 61.07 1wi3 n PRO 68 Cb 0.00 -2.80 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 1wi3 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi3 s SER 69 N 3.40 6.24 -0.20 3.54 0.15 -1.24 -5.00 113.70 120.59 1wi3 s SER 69 Ca 0.53 -2.35 -0.02 0.00 0.70 0.00 0.00 55.95 54.81 1wi3 s SER 69 Cb 0.14 -2.13 0.06 0.00 -1.71 0.00 0.00 66.02 62.38 1wi3 s SER 69 CO -0.02 -0.64 0.03 -0.94 1.20 0.00 0.00 173.24 172.86 1wi3 s SER 70 N 2.44 3.08 0.00 5.45 1.04 -1.26 -4.85 113.70 119.59 1wi3 s SER 70 Ca 0.12 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1wi3 s SER 70 Cb -0.19 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1wi3 s SER 70 CO -0.04 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.49