#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo3 s ASN 0 N 0.00 5.16 -1.22 6.43 4.22 -1.26 -5.05 114.94 123.23 3lo3 s ASN 0 Ca 0.00 -0.41 -0.09 0.00 -2.14 0.00 0.00 52.86 50.22 3lo3 s ASN 0 Cb 0.00 -1.18 0.20 0.00 1.28 0.00 0.00 41.25 41.55 3lo3 s ASN 0 CO 0.00 -0.05 1.66 0.00 -2.04 0.00 0.00 177.10 176.67 3lo3 n ALA 1 N -1.09 4.94 -1.44 3.54 0.00 -1.26 -5.03 120.51 120.16 3lo3 n ALA 1 Ca -0.07 -4.41 -0.37 0.00 0.00 0.00 0.00 53.44 48.59 3lo3 n ALA 1 Cb 0.58 -2.85 0.06 0.00 0.00 0.00 0.00 19.45 17.25 3lo3 n ALA 1 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3lo3 n THR 2 N 3.20 2.83 -4.49 0.00 -2.24 -1.25 -4.32 114.28 108.01 3lo3 n THR 2 Ca 0.36 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 3lo3 n THR 2 Cb 0.37 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lo3 s ALA 3 N -1.72 2.65 -0.01 6.98 0.00 -0.27 -4.84 121.76 124.53 3lo3 s ALA 3 Ca 0.72 -2.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 3lo3 s ALA 3 Cb -0.39 0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.89 3lo3 s ALA 3 CO 0.51 -0.04 0.04 0.71 0.00 0.00 0.00 175.76 176.97 3lo3 s TYR 4 N -2.86 -0.03 -0.12 0.00 2.02 -0.66 -0.30 117.35 115.40 3lo3 s TYR 4 Ca 0.32 0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 57.12 3lo3 s TYR 4 Cb 0.04 -0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.55 3lo3 s TYR 4 CO 0.14 -0.03 -0.09 0.42 -1.57 0.00 0.00 175.55 174.42 3lo3 s ILE 5 N 0.21 3.46 -0.14 2.71 1.01 -0.19 -0.90 121.20 127.36 3lo3 s ILE 5 Ca -0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3lo3 s ILE 5 Cb -0.02 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3lo3 s ILE 5 CO -0.01 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.71 3lo3 s ILE 6 N -0.02 2.98 -0.07 2.92 1.01 -0.20 -0.58 121.20 127.25 3lo3 s ILE 6 Ca -0.01 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3lo3 s ILE 6 Cb -0.14 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3lo3 s ILE 6 CO 0.03 0.52 -0.22 0.54 0.00 0.00 0.00 174.94 175.81 3lo3 s VAL 7 N 0.53 2.36 -0.16 2.92 0.11 0.08 -0.77 120.40 125.48 3lo3 s VAL 7 Ca -0.09 -0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 3lo3 s VAL 7 Cb -0.16 -1.89 -0.01 0.00 -1.53 0.00 0.00 36.38 32.80 3lo3 s VAL 7 CO 0.04 0.57 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.42 3lo3 s GLY 8 N -0.19 1.52 0.05 6.54 0.00 -0.68 -0.85 107.32 113.71 3lo3 s GLY 8 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3lo3 s GLY 8 CO 0.03 0.01 -0.06 0.48 0.00 0.00 0.00 173.10 173.56 3lo3 s LEU 9 N 0.74 2.32 -0.14 0.66 -0.00 -0.01 -1.01 118.68 121.24 3lo3 s LEU 9 Ca -0.06 -0.66 -0.01 0.00 -0.00 0.00 0.00 54.13 53.40 3lo3 s LEU 9 Cb -0.15 -0.07 0.04 0.00 -0.00 0.00 0.00 46.19 46.01 3lo3 s LEU 9 CO 0.01 -0.30 -0.03 -0.89 -0.00 0.00 0.00 176.35 175.14 3lo3 s THR 10 N -2.02 0.88 0.19 5.48 2.01 -0.63 -1.00 115.64 120.55 3lo3 s THR 10 Ca -0.06 -0.43 -0.33 0.00 0.31 0.00 0.00 61.69 61.19 3lo3 s THR 10 Cb -0.06 -1.07 -0.14 0.00 0.01 0.00 0.00 72.50 71.24 3lo3 s THR 10 CO -0.02 0.15 1.47 -2.65 -0.69 0.00 0.00 174.62 172.88 3lo3 n PRO 11 N 4.96 2.00 0.00 4.92 -0.02 -1.26 -2.98 135.00 142.62 3lo3 n PRO 11 Ca -0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3lo3 n PRO 11 Cb 0.48 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3lo3 n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3lo3 n LYS 12 N 2.66 0.00 -3.27 -0.52 5.02 0.19 -4.92 118.16 117.32 3lo3 n LYS 12 Ca 0.14 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.97 3lo3 n LYS 12 Cb 0.29 -0.01 -0.04 0.00 -0.02 0.00 0.00 35.03 35.26 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3lo3 s ASP 13 N 0.18 6.43 0.29 4.39 3.68 -1.17 -4.96 116.67 125.51 3lo3 s ASP 13 Ca 0.00 -2.10 -0.00 0.00 2.13 0.00 0.00 52.55 52.58 3lo3 s ASP 13 Cb 0.00 -2.23 0.67 0.00 -1.45 0.00 0.00 42.92 39.90 3lo3 s ASP 13 CO 0.00 -0.80 1.50 0.00 0.13 0.00 0.00 175.17 176.00 3lo3 n ALA 14 N 4.99 0.43 0.17 3.66 0.00 -1.26 -0.92 120.51 127.58 3lo3 n ALA 14 Ca -0.01 1.03 -0.12 0.00 0.00 0.00 0.00 53.44 54.35 3lo3 n ALA 14 Cb 0.43 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 3lo3 n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3lo3 h GLU 15 N 0.00 -0.46 -1.00 0.00 4.11 -1.96 -1.75 114.58 113.52 3lo3 h GLU 15 Ca 0.55 0.03 0.23 0.00 0.07 0.00 0.00 59.36 60.24 3lo3 h GLU 15 Cb 1.09 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 3lo3 h GLU 15 CO -0.92 -0.14 0.60 0.87 0.07 0.00 0.00 179.01 179.49 3lo3 h LYS 16 N -0.93 0.61 0.02 1.06 6.56 -1.72 -1.66 116.57 120.52 3lo3 h LYS 16 Ca -0.05 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3lo3 h LYS 16 Cb 0.53 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3lo3 h LYS 16 CO 0.08 0.41 -0.01 1.25 -2.06 0.00 0.00 179.45 179.12 3lo3 h LEU 17 N 0.63 -0.02 -0.52 2.94 5.85 -0.93 -1.47 115.31 121.79 3lo3 h LEU 17 Ca 0.62 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 59.22 3lo3 h LEU 17 Cb 1.12 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 3lo3 h LEU 17 CO -0.45 0.22 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.07 3lo3 h GLN 18 N -0.26 -0.06 -0.04 1.25 4.15 -0.61 0.59 115.11 120.12 3lo3 h GLN 18 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3lo3 h GLN 18 Cb 0.25 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3lo3 h GLN 18 CO 0.00 -0.04 -0.16 1.96 -1.93 0.00 0.00 178.83 178.67 3lo3 h GLN 19 N -0.06 0.07 0.27 1.69 4.20 -1.10 -1.83 115.11 118.35 3lo3 h GLN 19 Ca 0.25 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3lo3 h GLN 19 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3lo3 h GLN 19 CO -0.57 0.23 -0.13 -0.92 -0.67 0.00 0.00 178.83 176.77 3lo3 h TYR 20 N 0.06 -0.34 0.19 2.96 3.20 -0.03 -3.27 116.97 119.75 3lo3 h TYR 20 Ca 0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3lo3 h TYR 20 Cb 0.32 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3lo3 h TYR 20 CO 0.00 -0.08 -0.35 0.78 -1.64 0.00 0.00 178.16 176.87 3lo3 h GLY 21 N -0.55 -1.14 0.71 1.82 0.00 -0.19 -1.85 103.07 101.87 3lo3 h GLY 21 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3lo3 h GLY 21 CO 0.06 -0.34 0.20 0.00 0.00 0.00 0.00 176.54 176.47 3lo3 n ALA 22 N -2.71 0.48 0.01 3.60 0.00 -0.76 -1.43 120.51 119.70 3lo3 n ALA 22 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3lo3 n ALA 22 Cb 0.29 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.32 3lo3 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lo3 n ARG 23 N -1.05 1.65 0.07 0.00 1.74 -0.72 -4.81 116.66 113.52 3lo3 n ARG 23 Ca 0.00 -0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3lo3 n ARG 23 Cb 0.20 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 3lo3 n ARG 23 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3lo3 h VAL 24 N 0.00 1.33 -0.84 1.55 3.04 -0.91 -3.28 116.25 117.14 3lo3 h VAL 24 Ca 0.00 -2.42 0.20 0.00 -1.01 0.00 0.00 66.70 63.47 3lo3 h VAL 24 Cb 0.03 2.52 -0.12 0.00 -2.01 0.00 0.00 31.29 31.71 3lo3 h VAL 24 CO 0.00 0.74 0.30 0.00 -1.01 0.00 0.00 177.57 177.59 3lo3 h ALA 25 N 0.48 1.24 -1.01 3.17 0.00 -1.88 0.42 119.26 121.69 3lo3 h ALA 25 Ca -0.13 0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.18 3lo3 h ALA 25 Cb 1.75 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.64 3lo3 h ALA 25 CO 0.20 -0.35 0.63 0.77 0.00 0.00 0.00 179.25 180.51 3lo3 h SER 26 N 0.33 0.57 -0.13 0.00 0.02 -1.89 -2.64 113.55 109.82 3lo3 h SER 26 Ca 0.51 0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 61.36 3lo3 h SER 26 Cb 0.93 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 3lo3 h SER 26 CO -0.54 0.14 -0.66 0.71 -1.14 0.00 0.00 176.83 175.35 3lo3 h THR 27 N 0.53 1.32 -0.02 -2.27 1.35 -0.28 -3.33 112.91 110.20 3lo3 h THR 27 Ca 0.59 -1.91 0.03 0.00 -0.55 0.00 0.00 66.41 64.57 3lo3 h THR 27 Cb 1.26 2.09 -0.05 0.00 -1.73 0.00 0.00 68.15 69.72 3lo3 h THR 27 CO -0.34 0.59 -0.29 -0.07 -0.25 0.00 0.00 175.52 175.16 3lo3 h LEU 28 N 0.34 -0.86 -0.99 3.87 3.38 -1.26 -3.19 115.31 116.60 3lo3 h LEU 28 Ca -0.05 0.12 0.35 0.00 0.09 0.00 0.00 57.88 58.39 3lo3 h LEU 28 Cb 1.29 0.35 -0.17 0.00 0.09 0.00 0.00 40.66 42.23 3lo3 h LEU 28 CO 0.14 -0.35 0.38 0.00 0.09 0.00 0.00 178.44 178.69 3lo3 h ALA 29 N 0.37 1.79 0.42 1.53 0.00 -1.66 -0.47 119.26 121.23 3lo3 h ALA 29 Ca 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3lo3 h ALA 29 Cb 0.52 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3lo3 h ALA 29 CO -0.26 -0.75 -0.27 -0.22 0.00 0.00 0.00 179.25 177.74 3lo3 h LYS 30 N 0.07 -0.65 -0.75 0.00 1.63 -1.77 -2.12 116.57 112.99 3lo3 h LYS 30 Ca 0.74 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.58 3lo3 h LYS 30 Cb 1.79 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 3lo3 h LYS 30 CO -0.78 -0.43 0.00 0.66 -3.45 0.00 0.00 179.45 175.45 3lo3 n TYR 31 N -5.41 0.28 -3.70 1.91 4.01 -0.24 -4.86 117.16 109.16 3lo3 n TYR 31 Ca -0.11 -0.10 -0.22 0.00 -0.16 0.00 0.00 57.90 57.31 3lo3 n TYR 31 Cb 0.31 -0.13 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3lo3 n TYR 31 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3lo3 n SER 32 N 0.04 -1.74 -4.86 7.72 7.64 -0.80 -4.71 113.62 116.92 3lo3 n SER 32 Ca 0.04 -0.79 -0.34 0.00 1.01 0.00 0.00 58.87 58.79 3lo3 n SER 32 Cb 0.33 -4.15 -0.06 0.00 -1.01 0.00 0.00 64.21 59.32 3lo3 n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3lo3 s GLY 33 N -4.23 2.37 0.04 0.23 0.00 -0.86 -4.20 107.32 100.68 3lo3 s GLY 33 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3lo3 s GLY 33 CO 0.81 0.00 -0.05 -0.54 0.00 0.00 0.00 173.10 173.32 3lo3 s GLU 34 N -2.29 0.46 -0.51 2.90 2.02 -0.21 -4.34 118.70 116.72 3lo3 s GLU 34 Ca 0.41 -0.79 -0.25 0.00 0.02 0.00 0.00 54.97 54.35 3lo3 s GLU 34 Cb -0.13 -0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.10 3lo3 s GLU 34 CO 0.20 -0.02 0.96 0.08 0.02 0.00 0.00 175.26 176.50 3lo3 s VAL 35 N -1.92 4.39 0.03 2.63 1.01 -1.26 -0.18 120.40 125.09 3lo3 s VAL 35 Ca -0.09 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3lo3 s VAL 35 Cb -0.06 -4.50 -0.18 0.00 0.00 0.00 0.00 36.38 31.63 3lo3 s VAL 35 CO -0.02 -0.99 1.43 0.25 0.00 0.00 0.00 175.10 175.77 3lo3 h LEU 36 N 10.86 -0.12 -7.65 3.92 5.85 -0.26 -3.47 115.31 124.43 3lo3 h LEU 36 Ca -0.25 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 3lo3 h LEU 36 Cb 1.07 0.03 -0.19 0.00 0.37 0.00 0.00 40.66 41.94 3lo3 h LEU 36 CO 1.07 0.17 -0.38 -0.69 -0.34 0.00 0.00 178.44 178.26 3lo3 s VAL 37 N -5.05 0.08 0.05 1.05 1.01 -1.13 -4.97 120.40 111.44 3lo3 s VAL 37 Ca -0.15 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3lo3 s VAL 37 Cb 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3lo3 s VAL 37 CO 0.63 -0.37 -0.15 -0.54 0.00 0.00 0.00 175.10 174.68 3lo3 s LYS 38 N -1.70 0.96 -0.27 2.72 1.02 -1.26 -1.45 119.74 119.76 3lo3 s LYS 38 Ca -0.12 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 3lo3 s LYS 38 Cb -0.05 -0.99 0.18 0.00 -0.52 0.00 0.00 37.83 36.45 3lo3 s LYS 38 CO 0.01 0.24 1.33 0.20 -0.92 0.00 0.00 175.35 176.21 3lo3 s GLY 39 N -1.26 -0.00 0.78 -3.33 0.00 -1.02 -5.03 107.32 97.45 3lo3 s GLY 39 Ca 0.02 2.56 -0.11 0.00 0.00 0.00 0.00 44.72 47.19 3lo3 s GLY 39 CO 0.02 0.99 1.09 -0.45 0.00 0.00 0.00 173.10 174.74 3lo3 s SER 40 N -1.25 4.63 -0.17 1.64 0.15 -1.26 -1.62 113.70 115.82 3lo3 s SER 40 Ca 0.09 1.44 -0.07 0.00 0.70 0.00 0.00 55.95 58.10 3lo3 s SER 40 Cb -0.01 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3lo3 s SER 40 CO -0.06 -1.90 0.09 -0.69 1.20 0.00 0.00 173.24 171.88 3lo3 s VAL 41 N -3.09 5.05 -0.15 4.45 1.01 -0.80 -4.80 120.40 122.07 3lo3 s VAL 41 Ca 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3lo3 s VAL 41 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3lo3 s VAL 41 CO 0.55 0.50 -0.02 -0.70 0.00 0.00 0.00 175.10 175.43 3lo3 s GLU 42 N -0.02 3.61 -0.42 2.72 2.12 -1.26 -5.01 118.70 120.44 3lo3 s GLU 42 Ca 0.08 -0.48 -0.23 0.00 0.36 0.00 0.00 54.97 54.69 3lo3 s GLU 42 Cb -0.12 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.36 3lo3 s GLU 42 CO 0.00 0.31 0.79 -1.14 -0.54 0.00 0.00 175.26 174.69 3lo3 s GLN 43 N 0.18 3.54 0.08 4.30 2.00 -1.26 -4.91 119.66 123.59 3lo3 s GLN 43 Ca -0.01 0.06 0.14 0.00 -2.00 0.00 0.00 55.36 53.55 3lo3 s GLN 43 Cb -0.13 -3.89 -0.13 0.00 0.80 0.00 0.00 33.01 29.65 3lo3 s GLN 43 CO 0.02 -1.02 0.96 -0.07 -0.50 0.00 0.00 175.29 174.68 3lo3 h LEU 44 N 10.00 0.00 -7.00 3.68 3.38 -2.05 -3.47 115.31 119.85 3lo3 h LEU 44 Ca -0.25 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.82 3lo3 h LEU 44 Cb 1.09 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 3lo3 h LEU 44 CO 0.94 0.72 0.40 -2.28 0.09 0.00 0.00 178.44 178.31 3lo3 s HIS 45 N -2.82 -0.56 0.00 1.13 5.04 -1.26 -5.17 115.29 111.66 3lo3 s HIS 45 Ca -0.02 1.16 0.00 0.00 -1.54 0.00 0.00 55.06 54.66 3lo3 s HIS 45 Cb 0.08 0.36 0.00 0.00 0.04 0.00 0.00 32.58 33.06 3lo3 s HIS 45 CO 0.80 -0.27 0.00 0.41 -2.34 0.00 0.00 174.74 173.34 3lo3 n GLY 46 N 3.35 -1.75 3.22 1.59 0.00 -1.26 -4.92 105.19 105.41 3lo3 n GLY 46 Ca -0.17 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 3lo3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lo3 s LYS 47 N 0.00 2.53 -0.09 1.61 -0.14 -1.26 -5.07 119.74 117.32 3lo3 s LYS 47 Ca 0.00 -0.82 -0.04 0.00 -1.36 0.00 0.00 55.97 53.75 3lo3 s LYS 47 Cb 0.00 -2.06 0.05 0.00 -1.68 0.00 0.00 37.83 34.14 3lo3 s LYS 47 CO 0.00 0.27 0.19 0.12 -0.76 0.00 0.00 175.35 175.17 3lo3 s PHE 48 N 0.08 -0.24 -0.16 3.18 5.36 -1.26 -5.07 117.98 119.87 3lo3 s PHE 48 Ca -0.09 0.68 0.26 0.00 -0.96 0.00 0.00 56.93 56.82 3lo3 s PHE 48 Cb -0.15 -0.14 0.74 0.00 -0.34 0.00 0.00 43.02 43.13 3lo3 s PHE 48 CO 0.05 -0.26 1.75 1.05 -1.46 0.00 0.00 175.22 176.35 3lo3 h GLU 49 N 7.99 0.00 -6.63 10.12 4.11 -2.00 -3.46 114.58 124.71 3lo3 h GLU 49 Ca -0.22 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.77 3lo3 h GLU 49 Cb 1.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.41 3lo3 h GLU 49 CO 0.22 0.07 -0.15 -1.01 0.07 0.00 0.00 179.01 178.21 3lo3 s HIS 50 N -3.40 2.58 -0.06 2.06 3.76 -1.26 -4.99 115.29 113.97 3lo3 s HIS 50 Ca 0.04 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 3lo3 s HIS 50 Cb 0.07 -2.51 -0.29 0.00 1.11 0.00 0.00 32.58 30.96 3lo3 s HIS 50 CO 0.63 -0.73 0.61 0.87 -0.85 0.00 0.00 174.74 175.26 3lo3 h LYS 51 N 0.33 0.32 -3.94 1.40 6.56 -1.41 -3.48 116.57 116.36 3lo3 h LYS 51 Ca -0.39 -0.55 -0.10 0.00 -1.06 0.00 0.00 60.65 58.55 3lo3 h LYS 51 Cb 1.29 0.20 -0.14 0.00 -0.57 0.00 0.00 32.23 33.01 3lo3 h LYS 51 CO 0.46 1.23 -0.44 0.00 -2.06 0.00 0.00 179.45 178.64 3lo3 s ALA 52 N -2.58 0.01 0.08 3.86 0.00 -0.76 -1.91 121.76 120.46 3lo3 s ALA 52 Ca -0.16 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.07 3lo3 s ALA 52 Cb 0.06 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3lo3 s ALA 52 CO 0.83 -0.50 -0.24 -0.65 0.00 0.00 0.00 175.76 175.20 3lo3 s GLN 53 N -3.90 1.46 0.04 0.00 -1.52 -0.64 -0.83 119.66 114.26 3lo3 s GLN 53 Ca 0.08 -1.15 0.05 0.00 -1.95 0.00 0.00 55.36 52.40 3lo3 s GLN 53 Cb 0.05 -1.73 -0.02 0.00 -0.22 0.00 0.00 33.01 31.09 3lo3 s GLN 53 CO -0.09 0.43 -0.16 0.08 -0.25 0.00 0.00 175.29 175.31 3lo3 s VAL 54 N -0.94 1.24 -0.24 1.09 1.01 -0.03 -2.43 120.40 120.11 3lo3 s VAL 54 Ca 0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3lo3 s VAL 54 Cb -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3lo3 s VAL 54 CO 0.04 0.08 -0.08 -0.63 0.00 0.00 0.00 175.10 174.51 3lo3 s ILE 55 N -0.79 2.78 -0.16 2.22 1.01 -0.53 -0.74 121.20 125.00 3lo3 s ILE 55 Ca 0.03 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 3lo3 s ILE 55 Cb -0.08 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3lo3 s ILE 55 CO 0.01 0.25 0.27 -0.76 0.00 0.00 0.00 174.94 174.71 3lo3 s LEU 56 N 1.32 4.25 -0.10 2.97 2.01 0.25 0.52 118.68 129.92 3lo3 s LEU 56 Ca 0.01 0.48 0.01 0.00 0.01 0.00 0.00 54.13 54.64 3lo3 s LEU 56 Cb -0.16 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.69 3lo3 s LEU 56 CO -0.05 0.13 -0.13 -0.70 1.01 0.00 0.00 176.35 176.61 3lo3 s GLU 57 N 0.33 3.02 0.27 1.70 2.12 0.74 -1.02 118.70 125.85 3lo3 s GLU 57 Ca 0.15 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 54.86 3lo3 s GLU 57 Cb -0.13 -2.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 3lo3 s GLU 57 CO 0.03 0.40 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.07 3lo3 s PHE 58 N -0.12 1.79 -0.61 5.30 0.08 0.59 -1.05 117.98 123.96 3lo3 s PHE 58 Ca -0.01 -0.82 0.25 0.00 0.12 0.00 0.00 56.93 56.46 3lo3 s PHE 58 Cb -0.14 -1.05 0.59 0.00 -0.57 0.00 0.00 43.02 41.85 3lo3 s PHE 58 CO 0.03 0.11 1.66 -1.00 -0.10 0.00 0.00 175.22 175.93 3lo3 h PRO 59 N 2.34 0.00 -3.82 0.24 0.13 -1.84 -0.71 132.00 128.33 3lo3 h PRO 59 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 3lo3 h PRO 59 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 3lo3 h PRO 59 CO 0.67 0.00 -0.26 -1.54 -0.23 0.00 0.00 178.00 176.64 3lo3 s SER 60 N -5.08 -0.02 0.23 1.44 1.04 -1.26 -3.97 113.70 106.08 3lo3 s SER 60 Ca 0.09 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.68 3lo3 s SER 60 Cb 0.10 0.48 0.22 0.00 0.10 0.00 0.00 66.02 66.92 3lo3 s SER 60 CO 0.64 -0.97 1.54 -0.09 0.98 0.00 0.00 173.24 175.33 3lo3 h ARG 61 N 2.44 0.20 -0.15 4.02 2.43 -1.89 -2.71 114.38 118.72 3lo3 h ARG 61 Ca -0.30 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 3lo3 h ARG 61 Cb 1.24 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3lo3 h ARG 61 CO 0.44 0.78 -0.34 1.05 -1.51 0.00 0.00 179.97 180.39 3lo3 h GLU 62 N 0.14 0.30 0.03 0.20 4.11 -1.96 0.25 114.58 117.65 3lo3 h GLU 62 Ca -0.01 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 3lo3 h GLU 62 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3lo3 h GLU 62 CO 0.10 0.61 -0.02 -0.44 0.07 0.00 0.00 179.01 179.33 3lo3 h ASP 63 N 0.26 -0.04 -0.17 3.06 3.32 -1.88 -0.49 116.42 120.48 3lo3 h ASP 63 Ca 0.03 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.72 3lo3 h ASP 63 Cb 0.73 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 3lo3 h ASP 63 CO 0.06 0.40 -0.23 0.00 -1.72 0.00 0.00 179.24 177.74 3lo3 h ALA 64 N 0.47 -0.17 -0.70 3.45 0.00 -1.34 0.56 119.26 121.53 3lo3 h ALA 64 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3lo3 h ALA 64 Cb 0.45 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3lo3 h ALA 64 CO 0.01 -0.68 0.46 -0.92 0.00 0.00 0.00 179.25 178.12 3lo3 h TYR 65 N -0.28 0.87 0.03 0.00 3.20 -0.97 -2.80 116.97 117.02 3lo3 h TYR 65 Ca 0.11 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.76 3lo3 h TYR 65 Cb 0.45 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.43 3lo3 h TYR 65 CO -0.36 0.54 -1.01 -0.91 -1.64 0.00 0.00 178.16 174.79 3lo3 h ASN 66 N 0.94 0.57 -0.77 -2.11 2.35 -0.18 -2.83 115.58 113.55 3lo3 h ASN 66 Ca 0.26 -0.48 0.13 0.00 -0.55 0.00 0.00 56.30 55.65 3lo3 h ASN 66 Cb -0.09 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.05 3lo3 h ASN 66 CO -0.06 1.30 0.51 -0.25 -1.65 0.00 0.00 177.43 177.28 3lo3 h TRP 67 N 0.23 0.61 0.17 1.19 7.01 0.30 0.24 115.95 125.69 3lo3 h TRP 67 Ca -0.10 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 60.70 3lo3 h TRP 67 Cb 1.66 -0.20 0.02 0.00 -2.10 0.00 0.00 29.16 28.55 3lo3 h TRP 67 CO 0.07 0.25 -0.98 -0.92 -2.79 0.00 0.00 178.44 174.07 3lo3 h TYR 68 N 0.54 0.64 -0.00 2.65 3.20 -1.29 -3.12 116.97 119.58 3lo3 h TYR 68 Ca 0.37 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3lo3 h TYR 68 Cb 0.69 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3lo3 h TYR 68 CO -0.00 1.38 -0.09 0.72 -1.64 0.00 0.00 178.16 178.52 3lo3 n HIS 69 N -4.03 0.00 -1.19 -3.82 8.25 -1.09 -4.15 115.22 109.19 3lo3 n HIS 69 Ca -0.15 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.86 3lo3 n HIS 69 Cb 0.89 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.65 3lo3 n HIS 69 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3lo3 n SER 70 N -1.26 -0.41 -0.24 0.41 2.88 0.83 -4.66 113.62 111.17 3lo3 n SER 70 Ca 0.11 0.94 0.03 0.00 -1.33 0.00 0.00 58.87 58.62 3lo3 n SER 70 Cb 0.29 -0.76 0.16 0.00 -0.75 0.00 0.00 64.21 63.14 3lo3 n SER 70 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3lo3 h GLU 71 N 1.81 0.48 0.00 -1.46 4.81 -1.89 0.14 114.58 118.47 3lo3 h GLU 71 Ca -0.34 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 3lo3 h GLU 71 Cb 1.17 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3lo3 h GLU 71 CO 0.51 0.32 -0.06 1.05 -0.73 0.00 0.00 179.01 180.10 3lo3 h GLU 72 N 0.50 0.00 0.12 1.92 9.09 -1.93 -1.72 114.58 122.55 3lo3 h GLU 72 Ca 0.37 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.45 3lo3 h GLU 72 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 3lo3 h GLU 72 CO -0.34 0.06 -1.74 -0.92 0.05 0.00 0.00 179.01 176.12 3lo3 h TYR 73 N 0.00 0.45 -0.51 2.06 3.20 -1.71 -3.33 116.97 117.13 3lo3 h TYR 73 Ca -0.00 -0.33 0.11 0.00 3.14 0.00 0.00 58.73 61.65 3lo3 h TYR 73 Cb 0.92 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3lo3 h TYR 73 CO 0.00 1.51 0.35 1.96 -1.64 0.00 0.00 178.16 180.34 3lo3 h GLN 74 N 0.07 0.20 0.00 1.82 1.08 -0.63 -0.45 115.11 117.19 3lo3 h GLN 74 Ca -0.32 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 3lo3 h GLN 74 Cb 2.04 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.42 3lo3 h GLN 74 CO 0.13 0.13 -0.04 0.00 -0.95 0.00 0.00 178.83 178.11 3lo3 h ALA 75 N 1.74 1.05 0.00 3.87 0.00 -1.42 -2.95 119.26 121.56 3lo3 h ALA 75 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3lo3 h ALA 75 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3lo3 h ALA 75 CO -0.04 0.04 -0.55 -0.07 0.00 0.00 0.00 179.25 178.63 3lo3 h LEU 76 N 0.00 0.00 0.24 0.00 3.38 -1.22 -3.42 115.31 114.30 3lo3 h LEU 76 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3lo3 h LEU 76 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3lo3 h LEU 76 CO 0.00 0.07 -0.12 0.40 0.09 0.00 0.00 178.44 178.89 3lo3 h ILE 77 N 0.00 0.82 -0.95 1.22 2.04 -1.53 -0.75 117.51 118.36 3lo3 h ILE 77 Ca 0.00 -0.53 0.29 0.00 1.00 0.00 0.00 64.86 65.62 3lo3 h ILE 77 Cb 0.80 1.12 -0.15 0.00 -0.74 0.00 0.00 36.82 37.85 3lo3 h ILE 77 CO 0.00 0.11 0.39 0.28 0.00 0.00 0.00 178.15 178.94 3lo3 h SER 78 N -0.60 0.22 1.49 1.72 0.02 -1.81 0.21 113.55 114.80 3lo3 h SER 78 Ca -0.03 0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 3lo3 h SER 78 Cb 0.44 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3lo3 h SER 78 CO 0.05 -0.18 -0.52 0.00 -1.14 0.00 0.00 176.83 175.05 3lo3 h THR 79 N 0.23 0.76 -0.22 -2.27 1.03 -1.69 -3.12 112.91 107.63 3lo3 h THR 79 Ca 0.66 -2.09 -0.09 0.00 -0.01 0.00 0.00 66.41 64.87 3lo3 h THR 79 Cb 1.45 2.36 -0.00 0.00 -1.07 0.00 0.00 68.15 70.89 3lo3 h THR 79 CO -0.66 0.44 -0.23 -0.09 -0.01 0.00 0.00 175.52 174.96 3lo3 h ARG 80 N 0.00 0.54 0.00 0.00 2.43 0.78 -2.55 114.38 115.58 3lo3 h ARG 80 Ca -0.01 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3lo3 h ARG 80 Cb 1.36 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3lo3 h ARG 80 CO 0.06 0.88 0.00 -0.44 -1.51 0.00 0.00 179.97 178.96 3lo3 h ASP 81 N 0.22 0.00 0.09 -3.80 3.45 -0.98 -2.03 116.42 113.37 3lo3 h ASP 81 Ca 0.03 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.22 3lo3 h ASP 81 Cb 0.79 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.58 3lo3 h ASP 81 CO 0.06 0.00 -1.11 -0.07 -1.57 0.00 0.00 179.24 176.55 3lo3 h LEU 82 N 0.00 0.82 0.00 1.55 4.07 -1.47 -3.40 115.31 116.89 3lo3 h LEU 82 Ca 0.00 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.15 3lo3 h LEU 82 Cb 0.40 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3lo3 h LEU 82 CO 0.00 1.54 0.00 0.61 -1.08 0.00 0.00 178.44 179.51 3lo3 n GLY 83 N 1.32 -0.86 3.72 0.83 0.00 -0.76 -3.11 105.19 106.32 3lo3 n GLY 83 Ca -0.13 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3lo3 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lo3 s ASP 85 N -1.84 7.25 0.33 1.61 -0.00 -1.16 -0.64 116.67 122.22 3lo3 s ASP 85 Ca 0.34 1.50 0.04 0.00 -0.00 0.00 0.00 52.55 54.43 3lo3 s ASP 85 Cb 0.15 -2.51 -0.03 0.00 -0.00 0.00 0.00 42.92 40.53 3lo3 s ASP 85 CO 0.26 -0.14 0.18 -0.94 -0.00 0.00 0.00 175.17 174.54 3lo3 s SER 86 N 0.59 1.75 -0.05 0.27 1.04 -1.26 -1.60 113.70 114.44 3lo3 s SER 86 Ca 0.44 -1.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 3lo3 s SER 86 Cb -0.20 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.41 3lo3 s SER 86 CO 0.24 -0.94 0.08 0.00 0.98 0.00 0.00 173.24 173.60 3lo3 s GLN 87 N -3.71 -0.06 -0.18 4.02 -2.07 -0.18 -4.95 119.66 112.53 3lo3 s GLN 87 Ca 0.35 0.39 -0.05 0.00 -1.82 0.00 0.00 55.36 54.23 3lo3 s GLN 87 Cb 0.04 -0.52 -0.03 0.00 -1.09 0.00 0.00 33.01 31.40 3lo3 s GLN 87 CO 0.19 -0.34 -0.01 -0.06 -1.32 0.00 0.00 175.29 173.76 3lo3 s PHE 88 N 2.19 3.07 -0.16 9.60 0.08 -1.26 -1.68 117.98 129.82 3lo3 s PHE 88 Ca 0.05 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3lo3 s PHE 88 Cb -0.12 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3lo3 s PHE 88 CO -0.04 -0.06 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.21 3lo3 s GLN 89 N 0.57 2.54 -0.04 0.44 1.11 0.05 -4.95 119.66 119.39 3lo3 s GLN 89 Ca -0.01 -0.66 -0.19 0.00 0.01 0.00 0.00 55.36 54.51 3lo3 s GLN 89 Cb -0.14 -2.28 -0.05 0.00 -1.01 0.00 0.00 33.01 29.53 3lo3 s GLN 89 CO 0.02 -0.23 0.54 -1.17 0.01 0.00 0.00 175.29 174.46 3lo3 s LEU 90 N 1.41 4.38 -0.01 2.90 2.96 -1.26 -1.03 118.68 128.03 3lo3 s LEU 90 Ca 0.05 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 3lo3 s LEU 90 Cb -0.13 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3lo3 s LEU 90 CO -0.12 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.39 3lo3 s ILE 91 N -0.02 -0.02 0.00 6.68 1.09 -0.07 -5.02 121.20 123.84 3lo3 s ILE 91 Ca 0.29 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.93 3lo3 s ILE 91 Cb -0.17 -0.05 0.00 0.00 -1.06 0.00 0.00 42.46 41.18 3lo3 s ILE 91 CO 0.15 0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.64