#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 5.87 -1.12 -3.46 4.22 -1.26 -5.04 114.94 114.15 3lo3 s ASN 0 Ca 0.00 -0.12 -0.13 0.00 -2.14 0.00 0.00 52.86 50.47 3lo3 s ASN 0 Cb 0.00 -1.58 0.19 0.00 1.28 0.00 0.00 41.25 41.14 3lo3 s ASN 0 CO 0.00 -0.07 1.26 0.00 -2.04 0.00 0.00 177.10 176.25 3lo3 s ALA 1 N -2.07 4.08 0.14 3.54 0.00 -1.26 -4.99 121.76 121.19 3lo3 s ALA 1 Ca 0.34 -3.38 -0.33 0.00 0.00 0.00 0.00 51.96 48.59 3lo3 s ALA 1 Cb -0.08 -3.94 -0.13 0.00 0.00 0.00 0.00 23.12 18.97 3lo3 s ALA 1 CO 0.27 -2.64 1.70 2.41 0.00 0.00 0.00 175.76 177.50 3lo3 n THR 2 N 4.27 0.13 -4.17 0.00 -1.04 -1.26 -4.21 114.28 108.00 3lo3 n THR 2 Ca 0.30 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 62.02 3lo3 n THR 2 Cb 0.43 -1.80 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lo3 s ALA 3 N 1.66 3.30 0.01 2.41 0.00 -0.94 -4.78 121.76 123.41 3lo3 s ALA 3 Ca 0.80 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3lo3 s ALA 3 Cb -0.60 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 3lo3 s ALA 3 CO 0.38 0.48 -0.05 0.71 0.00 0.00 0.00 175.76 177.27 3lo3 s TYR 4 N -1.76 0.45 -0.25 0.00 2.02 0.15 -1.23 117.35 116.72 3lo3 s TYR 4 Ca 0.29 -0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.77 3lo3 s TYR 4 Cb -0.09 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3lo3 s TYR 4 CO 0.20 -0.03 -0.00 0.42 -1.57 0.00 0.00 175.55 174.57 3lo3 s ILE 5 N -0.38 3.49 -0.18 2.71 1.01 -0.61 -0.53 121.20 126.71 3lo3 s ILE 5 Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 3lo3 s ILE 5 Cb -0.04 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3lo3 s ILE 5 CO -0.00 0.24 0.44 -0.63 0.00 0.00 0.00 174.94 175.00 3lo3 s ILE 6 N 1.45 5.18 -0.16 2.92 1.01 0.92 -1.82 121.20 130.70 3lo3 s ILE 6 Ca 0.03 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 3lo3 s ILE 6 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3lo3 s ILE 6 CO -0.01 0.25 0.06 -0.69 0.00 0.00 0.00 174.94 174.55 3lo3 s VAL 7 N 1.22 4.80 -0.16 2.92 1.01 0.50 -1.03 120.40 129.66 3lo3 s VAL 7 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 3lo3 s VAL 7 Cb -0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3lo3 s VAL 7 CO 0.09 0.50 -0.06 -0.83 0.00 0.00 0.00 175.10 174.80 3lo3 s GLY 8 N 0.01 1.66 0.03 4.51 0.00 0.40 -1.98 107.32 111.94 3lo3 s GLY 8 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3lo3 s GLY 8 CO 0.01 -0.04 -0.04 0.48 0.00 0.00 0.00 173.10 173.50 3lo3 s LEU 9 N 0.49 2.26 -0.15 0.66 0.05 -0.72 0.50 118.68 121.77 3lo3 s LEU 9 Ca -0.05 -0.55 -0.02 0.00 0.05 0.00 0.00 54.13 53.56 3lo3 s LEU 9 Cb -0.15 0.03 0.05 0.00 -2.05 0.00 0.00 46.19 44.07 3lo3 s LEU 9 CO 0.03 -0.29 0.01 -0.89 -0.55 0.00 0.00 176.35 174.66 3lo3 s THR 10 N -1.60 0.57 0.33 5.48 2.01 0.22 -1.49 115.64 121.16 3lo3 s THR 10 Ca -0.13 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 3lo3 s THR 10 Cb -0.09 -0.93 -0.13 0.00 0.01 0.00 0.00 72.50 71.37 3lo3 s THR 10 CO -0.01 -0.02 1.27 -2.65 -0.69 0.00 0.00 174.62 172.51 3lo3 n PRO 11 N 5.05 2.04 0.00 4.92 -0.02 -1.26 -1.53 135.00 144.20 3lo3 n PRO 11 Ca -0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3lo3 n PRO 11 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.66 0.00 -2.98 -0.52 5.02 0.52 -4.84 118.16 116.02 3lo3 n LYS 12 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3lo3 n LYS 12 Cb 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.32 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 1.00 6.23 0.54 4.39 -1.08 -1.18 -4.92 116.67 121.65 3lo3 s ASP 13 Ca 0.00 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.41 3lo3 s ASP 13 Cb 0.00 -2.37 1.43 0.00 -1.46 0.00 0.00 42.92 40.52 3lo3 s ASP 13 CO 0.00 -1.17 2.01 0.00 0.52 0.00 0.00 175.17 176.53 3lo3 h ALA 14 N 9.27 2.37 0.31 3.66 0.00 -1.91 0.22 119.26 133.18 3lo3 h ALA 14 Ca -0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3lo3 h ALA 14 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3lo3 h ALA 14 CO 1.08 -0.58 -0.15 1.49 0.00 0.00 0.00 179.25 181.09 3lo3 h GLU 15 N 0.00 -0.41 -0.35 0.00 4.81 -1.95 -1.72 114.58 114.96 3lo3 h GLU 15 Ca 0.22 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3lo3 h GLU 15 Cb 0.91 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3lo3 h GLU 15 CO -0.00 -0.08 0.24 0.87 -0.73 0.00 0.00 179.01 179.31 3lo3 h LYS 16 N -0.90 0.37 -0.21 1.92 1.79 -1.71 -1.24 116.57 116.59 3lo3 h LYS 16 Ca -0.04 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 3lo3 h LYS 16 Cb 0.52 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 3lo3 h LYS 16 CO 0.07 0.25 -0.46 1.25 -1.08 0.00 0.00 179.45 179.47 3lo3 h LEU 17 N 0.39 0.59 -0.49 2.94 6.46 -0.56 -1.82 115.31 122.81 3lo3 h LEU 17 Ca 0.14 -0.28 -0.17 0.00 -0.12 0.00 0.00 57.88 57.45 3lo3 h LEU 17 Cb 0.09 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3lo3 h LEU 17 CO -0.03 0.97 -0.74 -0.61 -0.62 0.00 0.00 178.44 177.41 3lo3 h GLN 18 N 0.44 0.14 -0.12 1.25 -0.00 -0.35 -0.25 115.11 116.21 3lo3 h GLN 18 Ca 0.03 -0.12 -0.20 0.00 -0.00 0.00 0.00 58.65 58.35 3lo3 h GLN 18 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.49 3lo3 h GLN 18 CO 0.09 0.81 -0.75 1.96 0.00 0.00 0.00 178.83 180.94 3lo3 h GLN 19 N 0.09 0.61 -0.59 1.69 4.20 -1.16 -2.70 115.11 117.25 3lo3 h GLN 19 Ca -0.02 -0.50 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 3lo3 h GLN 19 Cb 1.30 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 3lo3 h GLN 19 CO 0.11 1.12 0.19 -0.92 -0.67 0.00 0.00 178.83 178.65 3lo3 h TYR 20 N 0.42 0.94 0.22 2.96 3.20 -1.12 -3.22 116.97 120.38 3lo3 h TYR 20 Ca -0.04 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3lo3 h TYR 20 Cb 1.35 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 3lo3 h TYR 20 CO 0.07 0.78 -0.25 0.78 -1.64 0.00 0.00 178.16 177.90 3lo3 h GLY 21 N 0.83 -0.99 0.93 1.82 0.00 -0.90 -2.67 103.07 102.09 3lo3 h GLY 21 Ca 0.19 0.45 0.09 0.00 0.00 0.00 0.00 47.33 48.07 3lo3 h GLY 21 CO -0.01 -0.32 0.45 0.00 0.00 0.00 0.00 176.54 176.66 3lo3 h ALA 22 N -1.32 1.95 0.00 3.60 0.00 -1.55 0.08 119.26 122.02 3lo3 h ALA 22 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3lo3 h ALA 22 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3lo3 h ALA 22 CO -0.04 -0.61 -1.27 0.54 0.00 0.00 0.00 179.25 177.87 3lo3 n ARG 23 N -3.49 0.62 0.13 0.00 1.74 -1.06 -4.47 116.66 110.12 3lo3 n ARG 23 Ca 0.05 0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 3lo3 n ARG 23 Cb 0.59 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3lo3 h VAL 24 N 0.00 0.84 -0.92 1.55 2.07 -0.64 -3.27 116.25 115.87 3lo3 h VAL 24 Ca -0.09 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.31 3lo3 h VAL 24 Cb 1.31 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 3lo3 h VAL 24 CO 0.02 0.07 0.59 0.00 0.02 0.00 0.00 177.57 178.28 3lo3 h ALA 25 N 0.32 1.97 -0.41 1.67 0.00 -1.78 0.53 119.26 121.55 3lo3 h ALA 25 Ca -0.03 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3lo3 h ALA 25 Cb 0.33 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3lo3 h ALA 25 CO 0.05 -0.26 0.14 1.03 0.00 0.00 0.00 179.25 180.21 3lo3 h SER 26 N 0.58 0.15 0.44 0.00 0.87 -1.86 -2.44 113.55 111.29 3lo3 h SER 26 Ca 0.49 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 3lo3 h SER 26 Cb 0.97 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3lo3 h SER 26 CO -0.23 0.12 0.00 0.71 -0.53 0.00 0.00 176.83 176.90 3lo3 h THR 27 N 0.30 0.00 0.00 2.23 1.35 -1.03 -2.46 112.91 113.30 3lo3 h THR 27 Ca 0.19 -0.19 -0.15 0.00 -0.55 0.00 0.00 66.41 65.72 3lo3 h THR 27 Cb 0.18 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 3lo3 h THR 27 CO -0.20 0.00 -0.73 -0.07 -0.25 0.00 0.00 175.52 174.27 3lo3 h LEU 28 N 0.00 0.00 -0.44 3.87 3.38 -1.45 -3.39 115.31 117.28 3lo3 h LEU 28 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3lo3 h LEU 28 Cb 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3lo3 h LEU 28 CO 0.00 0.67 0.04 0.00 0.09 0.00 0.00 178.44 179.24 3lo3 h ALA 29 N 1.33 0.45 0.00 1.53 0.00 -1.46 -1.11 119.26 119.99 3lo3 h ALA 29 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3lo3 h ALA 29 Cb 1.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3lo3 h ALA 29 CO 0.09 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.33 3lo3 n LYS 30 N -5.17 0.13 -0.09 0.00 2.85 -1.26 -2.23 118.16 112.40 3lo3 n LYS 30 Ca 0.04 0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.37 3lo3 n LYS 30 Cb 0.23 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.19 3lo3 n LYS 30 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3lo3 n TYR 31 N -1.43 0.23 -1.91 5.58 4.02 -0.88 -4.98 117.16 117.79 3lo3 n TYR 31 Ca 0.09 -0.33 -0.19 0.00 -0.01 0.00 0.00 57.90 57.47 3lo3 n TYR 31 Cb 0.29 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 3lo3 n TYR 31 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3lo3 n SER 32 N 0.34 -5.10 -4.45 7.72 7.64 -0.48 -4.55 113.62 114.74 3lo3 n SER 32 Ca 0.07 0.28 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 3lo3 n SER 32 Cb 0.32 -4.43 0.14 0.00 -1.01 0.00 0.00 64.21 59.24 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 -2.35 1.72 -0.23 0.23 0.00 -0.83 -4.45 107.32 101.40 3lo3 s GLY 33 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 3lo3 s GLY 33 CO 0.00 -0.39 1.20 1.85 0.00 0.00 0.00 173.10 175.75 3lo3 s GLU 34 N -5.71 0.31 -0.44 2.90 2.12 0.19 -4.72 118.70 113.34 3lo3 s GLU 34 Ca 0.69 0.10 -0.23 0.00 0.36 0.00 0.00 54.97 55.89 3lo3 s GLU 34 Cb -0.07 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.49 3lo3 s GLU 34 CO 0.51 -0.09 0.77 0.08 -0.54 0.00 0.00 175.26 175.99 3lo3 s VAL 35 N -0.92 4.68 -0.90 3.70 1.01 -1.26 -0.30 120.40 126.40 3lo3 s VAL 35 Ca 0.04 0.46 0.25 0.00 0.00 0.00 0.00 61.98 62.73 3lo3 s VAL 35 Cb -0.01 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3lo3 s VAL 35 CO -0.04 -0.67 1.40 0.00 0.00 0.00 0.00 175.10 175.79 3lo3 n LEU 36 N 6.63 0.53 -3.52 3.92 -0.00 -0.91 -4.90 117.00 118.74 3lo3 n LEU 36 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 3lo3 n LEU 36 Cb 0.48 -0.24 -0.04 0.00 -0.00 0.00 0.00 43.42 43.62 3lo3 n LEU 36 CO 0.58 0.08 0.45 0.54 -0.00 0.00 0.00 177.39 179.04 3lo3 s VAL 37 N -3.05 -0.70 0.14 1.47 0.11 -1.24 -5.01 120.40 112.12 3lo3 s VAL 37 Ca 0.10 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 3lo3 s VAL 37 Cb 0.17 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 3lo3 s VAL 37 CO 0.70 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 172.00 3lo3 s LYS 38 N 2.61 2.72 0.00 1.54 1.02 -1.26 -1.40 119.74 124.96 3lo3 s LYS 38 Ca -0.04 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.06 3lo3 s LYS 38 Cb -0.09 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3lo3 s LYS 38 CO -0.18 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3lo3 n GLY 39 N -0.00 3.27 3.80 -3.33 0.00 -1.11 -5.02 105.19 102.81 3lo3 n GLY 39 Ca -0.09 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3lo3 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lo3 s SER 40 N 0.00 4.38 -0.12 1.61 1.04 -1.26 -1.74 113.70 117.61 3lo3 s SER 40 Ca 0.00 1.28 0.01 0.00 0.48 0.00 0.00 55.95 57.72 3lo3 s SER 40 Cb 0.00 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.11 3lo3 s SER 40 CO 0.00 -2.03 -0.16 -0.69 0.98 0.00 0.00 173.24 171.33 3lo3 s VAL 41 N -3.16 2.73 -0.22 5.02 1.01 -0.76 -4.84 120.40 120.18 3lo3 s VAL 41 Ca 0.61 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3lo3 s VAL 41 Cb -0.14 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3lo3 s VAL 41 CO 0.54 0.53 0.22 -0.70 0.00 0.00 0.00 175.10 175.69 3lo3 s GLU 42 N 0.38 4.12 0.09 2.72 2.12 -1.26 -4.96 118.70 121.91 3lo3 s GLU 42 Ca -0.13 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.76 3lo3 s GLU 42 Cb -0.16 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.64 3lo3 s GLU 42 CO 0.06 0.08 1.28 -0.65 -0.54 0.00 0.00 175.26 175.50 3lo3 s GLN 43 N 0.97 4.39 -0.19 4.30 -1.52 -1.26 -4.90 119.66 121.45 3lo3 s GLN 43 Ca 0.11 1.91 0.10 0.00 -1.95 0.00 0.00 55.36 55.53 3lo3 s GLN 43 Cb -0.13 -3.29 -0.18 0.00 -0.22 0.00 0.00 33.01 29.18 3lo3 s GLN 43 CO 0.04 -0.32 -0.03 1.28 -0.25 0.00 0.00 175.29 176.01 3lo3 n LEU 44 N 3.81 1.09 -3.65 2.90 4.77 -1.26 -5.04 117.00 119.61 3lo3 n LEU 44 Ca 0.10 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 3lo3 n LEU 44 Cb 0.44 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3lo3 n LEU 44 CO 0.57 0.58 0.26 -2.28 -1.33 0.00 0.00 177.39 175.19 3lo3 s HIS 45 N -2.42 -0.56 0.00 -1.77 5.04 -1.26 -5.14 115.29 109.19 3lo3 s HIS 45 Ca -0.16 1.21 0.00 0.00 -1.54 0.00 0.00 55.06 54.57 3lo3 s HIS 45 Cb 0.06 0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.92 3lo3 s HIS 45 CO 0.62 -0.39 0.00 0.41 -2.34 0.00 0.00 174.74 173.04 3lo3 n GLY 46 N 2.05 0.40 3.56 1.59 0.00 -1.26 -4.84 105.19 106.69 3lo3 n GLY 46 Ca -0.16 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 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 2.29 -0.03 1.61 1.02 -1.26 -5.03 119.74 118.33 3lo3 s LYS 47 Ca 0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3lo3 s LYS 47 Cb 0.00 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3lo3 s LYS 47 CO 0.00 0.55 0.04 0.12 -0.92 0.00 0.00 175.35 175.15 3lo3 s PHE 48 N -1.06 0.04 -1.12 3.18 5.36 -1.26 -5.04 117.98 118.08 3lo3 s PHE 48 Ca 0.18 0.19 0.28 0.00 -0.96 0.00 0.00 56.93 56.62 3lo3 s PHE 48 Cb -0.11 -0.34 1.26 0.00 -0.34 0.00 0.00 43.02 43.49 3lo3 s PHE 48 CO 0.09 -0.13 1.92 0.39 -1.46 0.00 0.00 175.22 176.03 3lo3 n GLU 49 N 4.67 0.11 -4.03 10.12 4.71 -1.26 -4.87 120.64 130.09 3lo3 n GLU 49 Ca -0.17 0.02 -0.26 0.00 -0.01 0.00 0.00 57.16 56.74 3lo3 n GLU 49 Cb 0.50 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.40 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3lo3 s HIS 50 N -2.88 2.02 -0.03 -0.32 3.76 -1.26 -4.96 115.29 111.61 3lo3 s HIS 50 Ca 0.17 -0.76 0.20 0.00 -0.15 0.00 0.00 55.06 54.52 3lo3 s HIS 50 Cb 0.18 -1.91 -0.30 0.00 1.11 0.00 0.00 32.58 31.66 3lo3 s HIS 50 CO 0.49 -0.18 0.42 1.63 -0.85 0.00 0.00 174.74 176.25 3lo3 n LYS 51 N -1.54 0.60 -3.72 1.40 5.02 -0.55 -4.95 118.16 114.42 3lo3 n LYS 51 Ca -0.03 -0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 55.98 3lo3 n LYS 51 Cb 0.64 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo3 s ALA 52 N -3.34 -0.71 0.07 7.82 0.00 -1.07 -1.83 121.76 122.71 3lo3 s ALA 52 Ca -0.07 -0.15 0.09 0.00 0.00 0.00 0.00 51.96 51.82 3lo3 s ALA 52 Cb 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3lo3 s ALA 52 CO 0.81 -0.55 -0.23 -0.65 0.00 0.00 0.00 175.76 175.15 3lo3 s GLN 53 N -3.44 1.39 -0.02 0.00 -0.21 -0.71 -1.75 119.66 114.91 3lo3 s GLN 53 Ca 0.01 -1.10 0.06 0.00 0.02 0.00 0.00 55.36 54.35 3lo3 s GLN 53 Cb 0.02 -1.62 -0.01 0.00 1.00 0.00 0.00 33.01 32.39 3lo3 s GLN 53 CO -0.09 0.40 -0.22 0.08 -2.12 0.00 0.00 175.29 173.34 3lo3 s VAL 54 N -0.94 1.72 -0.19 1.09 1.01 -0.84 -2.75 120.40 119.50 3lo3 s VAL 54 Ca 0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3lo3 s VAL 54 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3lo3 s VAL 54 CO 0.03 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.90 3lo3 s ILE 55 N -0.40 3.11 -0.12 2.22 1.01 -0.50 -0.37 121.20 126.15 3lo3 s ILE 55 Ca 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 3lo3 s ILE 55 Cb -0.09 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3lo3 s ILE 55 CO 0.00 0.46 0.09 -0.76 0.00 0.00 0.00 174.94 174.73 3lo3 s LEU 56 N 1.18 4.07 -0.13 2.97 1.02 -0.75 -2.15 118.68 124.88 3lo3 s LEU 56 Ca 0.02 0.31 -0.01 0.00 0.02 0.00 0.00 54.13 54.47 3lo3 s LEU 56 Cb -0.14 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 3lo3 s LEU 56 CO -0.03 0.35 -0.10 -0.70 0.02 0.00 0.00 176.35 175.89 3lo3 s GLU 57 N -0.71 3.44 0.22 1.70 2.12 0.59 -1.58 118.70 124.48 3lo3 s GLU 57 Ca 0.12 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.89 3lo3 s GLU 57 Cb -0.12 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 3lo3 s GLU 57 CO 0.03 0.24 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.80 3lo3 s PHE 58 N 0.30 1.74 -0.56 5.30 0.08 -0.37 -0.64 117.98 123.84 3lo3 s PHE 58 Ca -0.08 -0.60 0.24 0.00 0.12 0.00 0.00 56.93 56.60 3lo3 s PHE 58 Cb -0.15 -0.85 0.93 0.00 -0.57 0.00 0.00 43.02 42.39 3lo3 s PHE 58 CO 0.05 0.33 1.72 -2.30 -0.10 0.00 0.00 175.22 174.92 3lo3 n PRO 59 N -0.41 0.20 -3.56 0.24 -0.02 -1.26 -2.21 135.00 127.97 3lo3 n PRO 59 Ca -0.07 0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 3lo3 n PRO 59 Cb 0.61 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3lo3 s SER 60 N -4.24 -0.37 0.44 2.55 1.04 -1.26 -4.24 113.70 107.63 3lo3 s SER 60 Ca 0.06 0.31 0.20 0.00 0.48 0.00 0.00 55.95 57.00 3lo3 s SER 60 Cb 0.10 0.33 1.16 0.00 0.10 0.00 0.00 66.02 67.71 3lo3 s SER 60 CO 0.43 -0.41 1.87 -0.09 0.98 0.00 0.00 173.24 176.02 3lo3 h ARG 61 N 2.43 0.31 0.01 4.02 2.43 -1.87 -1.32 114.38 120.39 3lo3 h ARG 61 Ca -0.19 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3lo3 h ARG 61 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3lo3 h ARG 61 CO 0.31 0.21 -0.00 0.93 -1.51 0.00 0.00 179.97 179.90 3lo3 h GLU 62 N 0.32 -0.01 -0.26 0.20 4.39 -1.96 0.33 114.58 117.59 3lo3 h GLU 62 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3lo3 h GLU 62 Cb 1.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3lo3 h GLU 62 CO -0.14 0.25 0.17 -0.44 -1.16 0.00 0.00 179.01 177.68 3lo3 h ASP 63 N -0.26 0.28 0.08 1.42 3.32 -1.66 0.29 116.42 119.90 3lo3 h ASP 63 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lo3 h ASP 63 Cb 0.26 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3lo3 h ASP 63 CO 0.00 0.21 -0.27 0.00 -1.72 0.00 0.00 179.24 177.46 3lo3 h ALA 64 N 1.10 -0.80 -0.29 3.45 0.00 -1.16 0.12 119.26 121.67 3lo3 h ALA 64 Ca 0.09 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3lo3 h ALA 64 Cb -0.03 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3lo3 h ALA 64 CO -0.03 -0.86 -0.07 -0.92 0.00 0.00 0.00 179.25 177.37 3lo3 h TYR 65 N -0.40 -0.15 -0.98 0.00 3.20 -0.10 -1.71 116.97 116.83 3lo3 h TYR 65 Ca -0.01 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3lo3 h TYR 65 Cb 0.39 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 3lo3 h TYR 65 CO -0.35 -0.12 0.64 -0.91 -1.64 0.00 0.00 178.16 175.78 3lo3 h ASN 66 N 0.00 1.07 0.34 -2.11 2.35 -0.35 -2.82 115.58 114.06 3lo3 h ASN 66 Ca 0.14 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3lo3 h ASN 66 Cb 0.21 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3lo3 h ASN 66 CO -0.30 0.73 -0.45 -0.25 -1.65 0.00 0.00 177.43 175.52 3lo3 h TRP 67 N 1.24 -1.26 -1.08 1.19 7.01 0.15 0.16 115.95 123.36 3lo3 h TRP 67 Ca 0.39 0.02 0.30 0.00 2.11 0.00 0.00 58.89 61.70 3lo3 h TRP 67 Cb 0.00 0.51 -0.07 0.00 -2.10 0.00 0.00 29.16 27.50 3lo3 h TRP 67 CO -0.00 -0.57 0.74 -0.92 -2.79 0.00 0.00 178.44 174.90 3lo3 h TYR 68 N -0.81 0.29 -0.62 2.65 3.20 -1.32 0.46 116.97 120.83 3lo3 h TYR 68 Ca -0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3lo3 h TYR 68 Cb 0.73 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3lo3 h TYR 68 CO -0.29 0.03 0.00 0.72 -1.64 0.00 0.00 178.16 176.97 3lo3 n HIS 69 N -4.39 1.25 -2.58 -3.82 8.25 -0.78 -4.46 115.22 108.69 3lo3 n HIS 69 Ca 0.24 -0.59 -0.38 0.00 -0.26 0.00 0.00 57.72 56.73 3lo3 n HIS 69 Cb 1.04 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.93 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lo3 s SER 70 N -1.00 7.07 0.26 0.41 1.04 0.16 -4.91 113.70 116.72 3lo3 s SER 70 Ca 0.48 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.93 3lo3 s SER 70 Cb 0.29 -2.60 0.35 0.00 0.10 0.00 0.00 66.02 64.17 3lo3 s SER 70 CO 0.25 -0.27 1.89 -0.08 0.98 0.00 0.00 173.24 176.01 3lo3 h GLU 71 N 3.11 1.17 -0.21 4.02 4.22 -1.89 -0.59 114.58 124.41 3lo3 h GLU 71 Ca -0.47 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 58.92 3lo3 h GLU 71 Cb 1.21 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3lo3 h GLU 71 CO 0.64 0.77 -0.23 0.93 -2.18 0.00 0.00 179.01 178.95 3lo3 h GLU 72 N 1.20 -0.13 -0.50 1.92 3.07 -1.92 -2.00 114.58 116.22 3lo3 h GLU 72 Ca 0.40 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3lo3 h GLU 72 Cb 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3lo3 h GLU 72 CO -0.14 -0.09 0.13 -0.92 -1.40 0.00 0.00 179.01 176.59 3lo3 h TYR 73 N -0.13 0.77 -0.99 4.33 3.20 -1.73 -3.14 116.97 119.28 3lo3 h TYR 73 Ca 0.04 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3lo3 h TYR 73 Cb 0.23 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 3lo3 h TYR 73 CO -0.71 0.65 0.65 1.96 -1.64 0.00 0.00 178.16 179.07 3lo3 h GLN 74 N 0.74 1.20 0.00 1.82 1.08 -0.50 -0.27 115.11 119.17 3lo3 h GLN 74 Ca 0.17 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3lo3 h GLN 74 Cb 0.26 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3lo3 h GLN 74 CO -0.00 0.79 0.00 0.00 -0.95 0.00 0.00 178.83 178.67 3lo3 h ALA 75 N 1.43 1.00 0.00 3.87 0.00 -1.33 -1.94 119.26 122.29 3lo3 h ALA 75 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3lo3 h ALA 75 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lo3 h ALA 75 CO -0.13 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.40 3lo3 n LEU 76 N -2.44 0.00 -0.03 0.00 4.77 -0.12 -4.14 117.00 115.04 3lo3 n LEU 76 Ca 0.03 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 3lo3 n LEU 76 Cb 0.31 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 3lo3 n LEU 76 CO 0.24 -0.06 0.47 0.40 -1.33 0.00 0.00 177.39 177.12 3lo3 h ILE 77 N 0.00 1.55 -0.35 -0.08 2.04 -1.29 -1.94 117.51 117.44 3lo3 h ILE 77 Ca 0.00 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.11 3lo3 h ILE 77 Cb 0.42 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 3lo3 h ILE 77 CO 0.00 0.48 -0.20 -1.20 0.00 0.00 0.00 178.15 177.22 3lo3 n SER 78 N -4.63 -0.37 0.03 1.72 7.64 -1.26 -0.39 113.62 116.36 3lo3 n SER 78 Ca -0.09 0.79 -0.11 0.00 1.01 0.00 0.00 58.87 60.47 3lo3 n SER 78 Cb 0.42 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 3lo3 n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lo3 h THR 79 N 0.00 1.34 -0.90 0.44 1.03 -1.81 -3.22 112.91 109.79 3lo3 h THR 79 Ca 0.06 -2.01 0.13 0.00 -0.01 0.00 0.00 66.41 64.57 3lo3 h THR 79 Cb 0.14 1.99 -0.07 0.00 -1.07 0.00 0.00 68.15 69.14 3lo3 h THR 79 CO -0.33 0.62 0.58 -0.09 -0.01 0.00 0.00 175.52 176.29 3lo3 h ARG 80 N 0.36 0.76 0.00 0.00 1.12 0.11 0.12 114.38 116.86 3lo3 h ARG 80 Ca -0.02 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 3lo3 h ARG 80 Cb 1.26 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 31.04 3lo3 h ARG 80 CO 0.12 0.51 -0.07 -0.44 -3.11 0.00 0.00 179.97 176.98 3lo3 h ASP 81 N 0.79 0.00 0.05 -3.80 3.32 -1.31 -2.62 116.42 112.85 3lo3 h ASP 81 Ca 0.44 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.31 3lo3 h ASP 81 Cb 0.59 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.16 3lo3 h ASP 81 CO -0.21 0.07 -0.75 -0.07 -1.72 0.00 0.00 179.24 176.57 3lo3 h LEU 82 N 0.00 0.57 -1.03 1.55 3.38 -0.92 -3.41 115.31 115.45 3lo3 h LEU 82 Ca -0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 3lo3 h LEU 82 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3lo3 h LEU 82 CO 0.01 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.47 3lo3 n GLY 83 N 1.25 -0.94 3.63 0.83 0.00 -0.29 -3.13 105.19 106.54 3lo3 n GLY 83 Ca -0.12 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.94 5.65 0.26 1.61 -0.00 -0.58 -0.35 116.67 119.32 3lo3 s ASP 85 Ca 0.00 0.08 0.02 0.00 -0.00 0.00 0.00 52.55 52.66 3lo3 s ASP 85 Cb 0.07 -1.97 -0.04 0.00 -0.00 0.00 0.00 42.92 40.98 3lo3 s ASP 85 CO 0.23 0.17 0.20 -0.94 -0.00 0.00 0.00 175.17 174.83 3lo3 s SER 86 N 0.41 0.79 -0.09 0.27 1.04 -1.26 0.70 113.70 115.56 3lo3 s SER 86 Ca 0.03 -1.54 -0.04 0.00 0.48 0.00 0.00 55.95 54.89 3lo3 s SER 86 Cb -0.12 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.50 3lo3 s SER 86 CO 0.00 -0.94 0.18 0.00 0.98 0.00 0.00 173.24 173.46 3lo3 s GLN 87 N -3.85 0.08 -0.25 4.02 -2.07 0.18 -4.95 119.66 112.83 3lo3 s GLN 87 Ca 0.40 0.54 -0.06 0.00 -1.82 0.00 0.00 55.36 54.42 3lo3 s GLN 87 Cb 0.05 -0.20 -0.01 0.00 -1.09 0.00 0.00 33.01 31.75 3lo3 s GLN 87 CO 0.19 -0.26 0.02 -0.06 -1.32 0.00 0.00 175.29 173.86 3lo3 s PHE 88 N 1.94 3.04 -0.20 9.60 2.99 -1.26 -0.46 117.98 133.64 3lo3 s PHE 88 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 56.93 56.12 3lo3 s PHE 88 Cb -0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 43.02 40.69 3lo3 s PHE 88 CO -0.06 -0.48 0.01 -0.65 -0.00 0.00 0.00 175.22 174.04 3lo3 s GLN 89 N 1.54 3.68 -0.24 0.44 1.11 -0.20 -4.96 119.66 121.03 3lo3 s GLN 89 Ca 0.05 -0.49 -0.12 0.00 0.01 0.00 0.00 55.36 54.81 3lo3 s GLN 89 Cb -0.15 -3.10 -0.05 0.00 -1.01 0.00 0.00 33.01 28.70 3lo3 s GLN 89 CO 0.00 0.06 0.24 -1.17 0.01 0.00 0.00 175.29 174.44 3lo3 s LEU 90 N 0.89 4.11 -0.03 2.90 2.96 -1.26 -0.06 118.68 128.19 3lo3 s LEU 90 Ca 0.01 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3lo3 s LEU 90 Cb -0.14 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.32 3lo3 s LEU 90 CO 0.02 -0.01 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.35 3lo3 s ILE 91 N 1.29 0.58 0.00 6.68 1.01 0.32 -5.02 121.20 126.06 3lo3 s ILE 91 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3lo3 s ILE 91 Cb -0.14 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3lo3 s ILE 91 CO 0.07 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.82