#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 6.02 -0.86 -3.46 2.47 -1.26 -5.02 114.94 112.83 3lo3 s ASN 0 Ca 0.00 0.07 -0.03 0.00 0.42 0.00 0.00 52.86 53.33 3lo3 s ASN 0 Cb 0.00 -1.74 0.25 0.00 -1.45 0.00 0.00 41.25 38.31 3lo3 s ASN 0 CO 0.00 0.08 2.20 0.00 -3.72 0.00 0.00 177.10 175.66 3lo3 n ALA 1 N -0.34 6.44 -1.29 1.71 0.00 -1.26 -5.03 120.51 120.75 3lo3 n ALA 1 Ca -0.07 -3.98 -0.39 0.00 0.00 0.00 0.00 53.44 49.00 3lo3 n ALA 1 Cb 0.54 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 17.82 3lo3 n ALA 1 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3lo3 n THR 2 N 0.20 0.44 -4.45 0.00 5.66 -1.26 -4.43 114.28 110.43 3lo3 n THR 2 Ca 0.52 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.80 3lo3 n THR 2 Cb 0.31 -0.13 -0.10 0.00 -1.55 0.00 0.00 70.33 68.86 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3lo3 s ALA 3 N -1.94 2.45 -0.03 1.79 0.00 0.22 -4.76 121.76 119.48 3lo3 s ALA 3 Ca 0.59 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 3lo3 s ALA 3 Cb -0.49 0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3lo3 s ALA 3 CO 0.64 -0.06 0.12 0.71 0.00 0.00 0.00 175.76 177.17 3lo3 s TYR 4 N -2.96 -0.06 -0.16 0.00 2.02 0.35 -0.36 117.35 116.18 3lo3 s TYR 4 Ca 0.30 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 3lo3 s TYR 4 Cb 0.04 0.00 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 3lo3 s TYR 4 CO 0.13 -0.14 -0.16 0.42 -1.57 0.00 0.00 175.55 174.22 3lo3 s ILE 5 N -0.45 2.55 -0.22 2.71 1.01 0.25 -1.42 121.20 125.63 3lo3 s ILE 5 Ca -0.05 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 3lo3 s ILE 5 Cb -0.03 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3lo3 s ILE 5 CO 0.00 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.93 3lo3 s ILE 6 N 0.86 4.84 -0.10 2.92 1.01 0.56 -0.65 121.20 130.64 3lo3 s ILE 6 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 3lo3 s ILE 6 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3lo3 s ILE 6 CO -0.01 0.39 -0.04 -0.69 0.00 0.00 0.00 174.94 174.59 3lo3 s VAL 7 N 0.90 3.94 -0.16 2.92 1.01 0.17 -1.08 120.40 128.09 3lo3 s VAL 7 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3lo3 s VAL 7 Cb -0.14 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3lo3 s VAL 7 CO 0.03 0.57 -0.21 -0.83 0.00 0.00 0.00 175.10 174.66 3lo3 s GLY 8 N -0.51 1.38 0.26 4.51 0.00 -0.77 -1.21 107.32 110.98 3lo3 s GLY 8 Ca 0.08 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.66 3lo3 s GLY 8 CO 0.02 0.16 0.03 0.48 0.00 0.00 0.00 173.10 173.79 3lo3 s LEU 9 N 1.11 2.11 -0.21 0.66 -0.00 -0.73 -0.49 118.68 121.13 3lo3 s LEU 9 Ca 0.00 -1.29 -0.04 0.00 -0.00 0.00 0.00 54.13 52.81 3lo3 s LEU 9 Cb -0.14 -0.27 0.11 0.00 -0.00 0.00 0.00 46.19 45.89 3lo3 s LEU 9 CO -0.09 -0.57 0.32 -0.89 -0.00 0.00 0.00 176.35 175.12 3lo3 s THR 10 N -3.42 -0.49 0.67 5.48 2.01 0.34 -1.17 115.64 119.06 3lo3 s THR 10 Ca 0.32 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 3lo3 s THR 10 Cb 0.07 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 3lo3 s THR 10 CO 0.12 -0.11 1.22 -2.65 -0.69 0.00 0.00 174.62 172.51 3lo3 n PRO 11 N 5.35 0.91 0.07 4.92 -0.02 -1.26 -1.36 135.00 143.61 3lo3 n PRO 11 Ca -0.05 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3lo3 n PRO 11 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -2.00 0.00 -4.04 -0.52 5.02 -0.75 -4.81 118.16 111.06 3lo3 n LYS 12 Ca 0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 3lo3 n LYS 12 Cb 0.48 -0.29 -0.15 0.00 -0.02 0.00 0.00 35.03 35.05 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 -5.41 4.56 0.27 4.39 -1.08 -1.19 -5.01 116.67 113.19 3lo3 s ASP 13 Ca 0.00 -1.55 -0.03 0.00 -0.52 0.00 0.00 52.55 50.45 3lo3 s ASP 13 Cb 0.00 -1.58 0.37 0.00 -1.46 0.00 0.00 42.92 40.25 3lo3 s ASP 13 CO 0.00 -0.24 1.91 0.00 0.52 0.00 0.00 175.17 177.37 3lo3 h ALA 14 N 7.76 1.37 0.48 3.66 0.00 -1.95 -1.41 119.26 129.18 3lo3 h ALA 14 Ca -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3lo3 h ALA 14 Cb 1.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3lo3 h ALA 14 CO 0.48 0.53 -0.34 1.49 0.00 0.00 0.00 179.25 181.41 3lo3 h GLU 15 N 1.22 -0.76 -0.67 0.00 4.81 -1.96 -1.06 114.58 116.17 3lo3 h GLU 15 Ca 0.39 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 3lo3 h GLU 15 Cb 0.02 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3lo3 h GLU 15 CO -0.12 -0.51 0.25 0.87 -0.73 0.00 0.00 179.01 178.76 3lo3 h LYS 16 N -0.79 1.01 -0.58 1.92 6.56 -1.84 -1.78 116.57 121.06 3lo3 h LYS 16 Ca -0.05 -0.19 0.04 0.00 -1.06 0.00 0.00 60.65 59.38 3lo3 h LYS 16 Cb 0.67 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 32.13 3lo3 h LYS 16 CO 0.02 0.85 0.34 1.25 -2.06 0.00 0.00 179.45 179.86 3lo3 h LEU 17 N 0.95 0.53 -0.38 2.94 6.46 -1.18 0.22 115.31 124.85 3lo3 h LEU 17 Ca 0.22 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3lo3 h LEU 17 Cb 0.24 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 3lo3 h LEU 17 CO -0.01 0.36 0.22 -0.61 -0.62 0.00 0.00 178.44 177.78 3lo3 h GLN 18 N 0.65 0.43 -0.55 1.25 4.15 -0.88 0.18 115.11 120.35 3lo3 h GLN 18 Ca 0.24 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 3lo3 h GLN 18 Cb 0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3lo3 h GLN 18 CO -0.13 0.29 0.14 1.96 -1.93 0.00 0.00 178.83 179.16 3lo3 h GLN 19 N 0.44 0.83 0.08 1.69 4.20 -0.46 -2.35 115.11 119.54 3lo3 h GLN 19 Ca 0.15 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3lo3 h GLN 19 Cb 0.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3lo3 h GLN 19 CO -0.08 0.74 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.87 3lo3 h TYR 20 N 0.80 -0.10 -0.77 2.96 3.20 -0.51 -2.85 116.97 119.71 3lo3 h TYR 20 Ca 0.18 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.27 3lo3 h TYR 20 Cb 0.28 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3lo3 h TYR 20 CO 0.02 0.27 0.63 0.78 -1.64 0.00 0.00 178.16 178.22 3lo3 h GLY 21 N -0.48 0.00 0.72 1.82 0.00 -0.82 -2.06 103.07 102.25 3lo3 h GLY 21 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 3lo3 h GLY 21 CO 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.96 3lo3 h ALA 22 N 1.47 0.04 -0.00 3.60 0.00 -1.20 -3.32 119.26 119.84 3lo3 h ALA 22 Ca 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3lo3 h ALA 22 Cb 1.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3lo3 h ALA 22 CO -0.00 0.32 -0.09 0.54 0.00 0.00 0.00 179.25 180.02 3lo3 n ARG 23 N -4.24 0.38 -0.04 0.00 3.00 -0.81 -4.42 116.66 110.53 3lo3 n ARG 23 Ca -0.11 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.85 57.50 3lo3 n ARG 23 Cb 0.68 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.55 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3lo3 h VAL 24 N 0.20 1.42 -0.43 1.55 2.07 -1.58 -3.33 116.25 116.16 3lo3 h VAL 24 Ca 0.00 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 65.97 3lo3 h VAL 24 Cb 0.38 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 3lo3 h VAL 24 CO 0.00 0.46 0.07 0.00 0.02 0.00 0.00 177.57 178.12 3lo3 h ALA 25 N 0.45 0.46 -0.79 1.67 0.00 -1.80 -0.89 119.26 118.37 3lo3 h ALA 25 Ca -0.01 0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.22 3lo3 h ALA 25 Cb 0.87 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3lo3 h ALA 25 CO 0.05 -0.33 0.70 0.66 0.00 0.00 0.00 179.25 180.33 3lo3 h SER 26 N 0.20 0.00 0.93 0.00 4.64 -1.86 0.66 113.55 118.12 3lo3 h SER 26 Ca 0.21 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 3lo3 h SER 26 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3lo3 h SER 26 CO -0.29 0.00 -1.08 0.71 -0.87 0.00 0.00 176.83 175.29 3lo3 h THR 27 N 0.00 1.62 -0.75 2.95 1.35 -1.32 -3.32 112.91 113.44 3lo3 h THR 27 Ca 0.37 -3.34 -0.02 0.00 -0.55 0.00 0.00 66.41 62.88 3lo3 h THR 27 Cb 1.76 2.81 -0.04 0.00 -1.73 0.00 0.00 68.15 70.96 3lo3 h THR 27 CO -0.00 0.93 0.40 -0.07 -0.25 0.00 0.00 175.52 176.53 3lo3 h LEU 28 N 0.00 0.93 -0.41 3.87 3.38 -0.81 -3.27 115.31 119.01 3lo3 h LEU 28 Ca -0.04 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3lo3 h LEU 28 Cb 1.81 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 3lo3 h LEU 28 CO 0.13 0.75 -0.45 0.00 0.09 0.00 0.00 178.44 178.96 3lo3 h ALA 29 N 1.40 -0.49 -0.71 1.53 0.00 -1.66 0.12 119.26 119.45 3lo3 h ALA 29 Ca 0.26 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.40 3lo3 h ALA 29 Cb 0.03 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3lo3 h ALA 29 CO -0.04 -0.90 0.49 -0.22 0.00 0.00 0.00 179.25 178.58 3lo3 h LYS 30 N -0.34 0.19 -0.03 0.00 3.64 -1.78 0.24 116.57 118.50 3lo3 h LYS 30 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3lo3 h LYS 30 Cb 0.59 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3lo3 h LYS 30 CO -0.58 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.39 3lo3 n TYR 31 N -4.41 0.01 -2.80 1.91 4.01 -0.61 -4.97 117.16 110.30 3lo3 n TYR 31 Ca 0.14 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 3lo3 n TYR 31 Cb 0.65 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.70 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 0.81 -4.22 -4.88 7.72 7.64 0.30 -4.63 113.62 116.35 3lo3 n SER 32 Ca 0.09 -0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 3lo3 n SER 32 Cb 0.36 -3.02 -0.03 0.00 -1.01 0.00 0.00 64.21 60.51 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 -2.93 1.89 0.02 0.23 0.00 -0.43 -4.33 107.32 101.78 3lo3 s GLY 33 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3lo3 s GLY 33 CO 0.26 -0.15 0.05 -0.54 0.00 0.00 0.00 173.10 172.72 3lo3 s GLU 34 N -3.83 0.45 -0.34 2.90 2.02 -0.26 -4.55 118.70 115.08 3lo3 s GLU 34 Ca 0.49 -0.64 -0.27 0.00 0.02 0.00 0.00 54.97 54.57 3lo3 s GLU 34 Cb -0.10 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.31 3lo3 s GLU 34 CO 0.32 -0.10 1.00 0.08 0.02 0.00 0.00 175.26 176.58 3lo3 s VAL 35 N -1.91 4.55 -0.88 2.63 1.01 -1.26 0.08 120.40 124.61 3lo3 s VAL 35 Ca -0.11 1.46 0.22 0.00 0.00 0.00 0.00 61.98 63.55 3lo3 s VAL 35 Cb -0.06 -4.37 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 3lo3 s VAL 35 CO -0.02 -0.50 0.95 -0.11 0.00 0.00 0.00 175.10 175.42 3lo3 n LEU 36 N 6.82 0.81 -3.64 3.92 0.00 -0.27 -4.95 117.00 119.70 3lo3 n LEU 36 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 56.01 55.73 3lo3 n LEU 36 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 43.42 43.81 3lo3 n LEU 36 CO 0.59 0.19 1.14 0.54 0.00 0.00 0.00 177.39 179.84 3lo3 s VAL 37 N -3.06 0.00 -0.09 1.96 0.11 -1.22 -4.98 120.40 113.11 3lo3 s VAL 37 Ca 0.07 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3lo3 s VAL 37 Cb 0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3lo3 s VAL 37 CO 0.84 0.00 0.28 -0.75 -3.33 0.00 0.00 175.10 172.15 3lo3 s LYS 38 N -0.87 0.39 0.00 1.54 2.20 -1.26 -1.82 119.74 119.92 3lo3 s LYS 38 Ca 0.08 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3lo3 s LYS 38 Cb -0.01 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 3lo3 s LYS 38 CO -0.08 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 3lo3 n GLY 39 N 2.64 2.86 3.93 5.54 0.00 -1.13 -5.04 105.19 113.99 3lo3 n GLY 39 Ca -0.14 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 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 6.00 -0.11 1.61 1.04 -1.26 -1.37 113.70 119.61 3lo3 s SER 40 Ca 0.00 0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.95 3lo3 s SER 40 Cb 0.00 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 3lo3 s SER 40 CO 0.00 -0.68 0.29 -0.69 0.98 0.00 0.00 173.24 173.14 3lo3 s VAL 41 N -2.69 5.27 -0.28 5.02 1.01 -0.93 -4.85 120.40 122.96 3lo3 s VAL 41 Ca 0.48 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.92 3lo3 s VAL 41 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3lo3 s VAL 41 CO 0.42 0.48 0.15 -0.70 0.00 0.00 0.00 175.10 175.45 3lo3 s GLU 42 N -0.21 3.76 -0.20 2.72 2.12 -1.26 -5.02 118.70 120.62 3lo3 s GLU 42 Ca 0.18 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 3lo3 s GLU 42 Cb -0.14 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 3lo3 s GLU 42 CO 0.06 -0.22 1.45 -1.14 -0.54 0.00 0.00 175.26 174.87 3lo3 s GLN 43 N 1.69 4.00 -0.22 4.30 2.00 -1.26 -4.90 119.66 125.28 3lo3 s GLN 43 Ca 0.06 1.65 0.00 0.00 -2.00 0.00 0.00 55.36 55.07 3lo3 s GLN 43 Cb -0.16 -3.92 -0.20 0.00 0.80 0.00 0.00 33.01 29.54 3lo3 s GLN 43 CO 0.08 -1.03 -0.06 1.28 -0.50 0.00 0.00 175.29 175.06 3lo3 n LEU 44 N 7.55 2.78 -3.74 3.68 4.77 -1.26 -4.98 117.00 125.80 3lo3 n LEU 44 Ca 0.16 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 3lo3 n LEU 44 Cb 0.45 -0.91 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 3lo3 n LEU 44 CO 0.62 0.90 -0.01 -2.28 -1.33 0.00 0.00 177.39 175.28 3lo3 s HIS 45 N -2.53 -0.40 0.00 -1.77 5.04 -1.26 -5.13 115.29 109.24 3lo3 s HIS 45 Ca -0.31 0.94 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 3lo3 s HIS 45 Cb 0.08 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.84 3lo3 s HIS 45 CO 0.65 -0.21 0.00 0.41 -2.34 0.00 0.00 174.74 173.25 3lo3 n GLY 46 N 3.36 -0.03 2.96 1.59 0.00 -1.26 -4.90 105.19 106.90 3lo3 n GLY 46 Ca -0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 0.38 -0.06 1.61 3.01 -1.26 -5.07 119.74 118.34 3lo3 s LYS 47 Ca 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 55.97 54.70 3lo3 s LYS 47 Cb 0.00 -0.34 0.04 0.00 -1.01 0.00 0.00 37.83 36.52 3lo3 s LYS 47 CO 0.00 0.09 0.13 0.12 0.51 0.00 0.00 175.35 176.20 3lo3 s PHE 48 N -0.26 -0.14 -0.73 3.18 5.36 -1.26 -5.06 117.98 119.07 3lo3 s PHE 48 Ca 0.00 0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 3lo3 s PHE 48 Cb -0.03 -0.16 0.31 0.00 -0.34 0.00 0.00 43.02 42.81 3lo3 s PHE 48 CO -0.00 -0.18 2.16 0.39 -1.46 0.00 0.00 175.22 176.12 3lo3 n GLU 49 N 4.50 2.64 -3.60 10.12 1.02 -1.26 -4.91 120.64 129.15 3lo3 n GLU 49 Ca -0.21 -3.19 -0.12 0.00 -0.02 0.00 0.00 57.16 53.62 3lo3 n GLU 49 Cb 0.51 -2.22 -0.05 0.00 -0.02 0.00 0.00 31.44 29.66 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3lo3 s HIS 50 N -3.53 -0.31 -0.06 -0.32 3.76 -1.26 -4.92 115.29 108.64 3lo3 s HIS 50 Ca 0.55 0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 55.57 3lo3 s HIS 50 Cb 0.43 0.30 -0.27 0.00 1.11 0.00 0.00 32.58 34.16 3lo3 s HIS 50 CO -0.29 -0.67 0.61 0.87 -0.85 0.00 0.00 174.74 174.40 3lo3 h LYS 51 N 2.57 0.25 -4.92 1.40 1.79 -1.49 -3.47 116.57 112.70 3lo3 h LYS 51 Ca -0.33 -0.42 -0.34 0.00 -2.18 0.00 0.00 60.65 57.38 3lo3 h LYS 51 Cb 1.24 0.16 -0.14 0.00 -1.58 0.00 0.00 32.23 31.90 3lo3 h LYS 51 CO 0.44 1.10 -0.64 0.00 -1.08 0.00 0.00 179.45 179.27 3lo3 s ALA 52 N -2.58 1.65 0.01 3.86 0.00 -0.97 -2.19 121.76 121.53 3lo3 s ALA 52 Ca -0.15 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.09 3lo3 s ALA 52 Cb 0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3lo3 s ALA 52 CO 0.82 -0.36 -0.12 -0.65 0.00 0.00 0.00 175.76 175.45 3lo3 s GLN 53 N -3.95 0.90 0.06 0.00 -0.21 -0.47 -1.77 119.66 114.23 3lo3 s GLN 53 Ca 0.31 -0.53 0.09 0.00 0.02 0.00 0.00 55.36 55.26 3lo3 s GLN 53 Cb 0.07 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 33.17 3lo3 s GLN 53 CO 0.09 0.23 -0.25 0.08 -2.12 0.00 0.00 175.29 173.33 3lo3 s VAL 54 N -0.49 2.02 -0.18 1.09 1.01 -0.35 -2.85 120.40 120.66 3lo3 s VAL 54 Ca 0.03 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.61 3lo3 s VAL 54 Cb -0.06 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3lo3 s VAL 54 CO 0.00 0.26 -0.16 -0.63 0.00 0.00 0.00 175.10 174.57 3lo3 s ILE 55 N -0.86 1.88 -0.16 2.22 1.01 -0.76 0.43 121.20 124.97 3lo3 s ILE 55 Ca 0.11 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3lo3 s ILE 55 Cb -0.10 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3lo3 s ILE 55 CO 0.03 0.42 0.23 -0.76 0.00 0.00 0.00 174.94 174.85 3lo3 s LEU 56 N 1.34 4.27 -0.19 2.97 2.01 0.18 -1.11 118.68 128.15 3lo3 s LEU 56 Ca 0.03 0.44 -0.08 0.00 0.01 0.00 0.00 54.13 54.53 3lo3 s LEU 56 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.77 3lo3 s LEU 56 CO -0.11 0.19 0.07 -0.70 1.01 0.00 0.00 176.35 176.81 3lo3 s GLU 57 N 0.11 3.99 0.17 1.70 2.12 0.11 -0.58 118.70 126.33 3lo3 s GLU 57 Ca 0.14 -0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.20 3lo3 s GLU 57 Cb -0.12 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3lo3 s GLU 57 CO 0.03 0.25 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.80 3lo3 s PHE 58 N 0.45 1.53 -1.29 5.30 0.08 0.52 -1.10 117.98 123.47 3lo3 s PHE 58 Ca 0.04 -0.62 0.22 0.00 0.12 0.00 0.00 56.93 56.69 3lo3 s PHE 58 Cb -0.12 -0.74 1.06 0.00 -0.57 0.00 0.00 43.02 42.65 3lo3 s PHE 58 CO 0.00 0.24 1.72 -2.30 -0.10 0.00 0.00 175.22 174.78 3lo3 n PRO 59 N -0.16 0.22 -3.61 0.24 -0.02 -1.26 -0.61 135.00 129.79 3lo3 n PRO 59 Ca -0.10 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.43 3lo3 n PRO 59 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 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 -2.71 -0.13 0.35 2.55 1.04 -1.26 -4.25 113.70 109.30 3lo3 s SER 60 Ca 0.18 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.76 3lo3 s SER 60 Cb 0.15 0.12 0.76 0.00 0.10 0.00 0.00 66.02 67.14 3lo3 s SER 60 CO 0.36 -0.16 1.92 -0.09 0.98 0.00 0.00 173.24 176.24 3lo3 h ARG 61 N 2.12 0.73 -0.31 4.02 2.43 -1.88 -1.60 114.38 119.89 3lo3 h ARG 61 Ca -0.10 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3lo3 h ARG 61 Cb 1.17 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3lo3 h ARG 61 CO 0.24 0.48 0.09 1.05 -1.51 0.00 0.00 179.97 180.32 3lo3 h GLU 62 N 0.75 0.48 -0.32 0.20 4.11 -1.97 0.24 114.58 118.07 3lo3 h GLU 62 Ca 0.38 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.64 3lo3 h GLU 62 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3lo3 h GLU 62 CO -0.15 0.53 -0.02 -0.44 0.07 0.00 0.00 179.01 179.00 3lo3 h ASP 63 N 0.34 0.58 -0.87 3.06 3.32 -1.79 0.06 116.42 121.12 3lo3 h ASP 63 Ca 0.10 -0.33 0.13 0.00 0.02 0.00 0.00 57.03 56.95 3lo3 h ASP 63 Cb 0.26 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.56 3lo3 h ASP 63 CO -0.00 0.77 0.48 0.00 -1.72 0.00 0.00 179.24 178.77 3lo3 h ALA 64 N 0.83 1.30 -0.03 3.45 0.00 -1.12 0.11 119.26 123.81 3lo3 h ALA 64 Ca 0.09 0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 3lo3 h ALA 64 Cb 0.49 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3lo3 h ALA 64 CO 0.02 -0.01 -0.98 -0.92 0.00 0.00 0.00 179.25 177.36 3lo3 h TYR 65 N 0.71 1.02 0.00 0.00 3.20 -0.17 -3.18 116.97 118.55 3lo3 h TYR 65 Ca 0.46 -0.53 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3lo3 h TYR 65 Cb 0.58 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3lo3 h TYR 65 CO -0.07 1.37 -0.17 -0.91 -1.64 0.00 0.00 178.16 176.74 3lo3 h ASN 66 N 0.41 0.00 0.13 -2.11 2.35 -0.59 -2.90 115.58 112.87 3lo3 h ASN 66 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3lo3 h ASN 66 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 3lo3 h ASN 66 CO 0.19 0.17 -0.06 -0.25 -1.65 0.00 0.00 177.43 175.83 3lo3 h TRP 67 N 0.00 -0.16 0.00 1.19 7.01 -1.01 0.64 115.95 123.63 3lo3 h TRP 67 Ca -0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3lo3 h TRP 67 Cb 0.77 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 3lo3 h TRP 67 CO 0.00 0.15 -0.01 -0.92 -2.79 0.00 0.00 178.44 174.88 3lo3 h TYR 68 N -0.48 0.00 -0.29 2.65 3.20 -1.49 -1.58 116.97 118.97 3lo3 h TYR 68 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3lo3 h TYR 68 Cb 0.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3lo3 h TYR 68 CO 0.03 0.01 0.00 0.72 -1.64 0.00 0.00 178.16 177.27 3lo3 n HIS 69 N -4.50 0.38 -1.15 -3.82 8.25 -1.12 -4.41 115.22 108.85 3lo3 n HIS 69 Ca -0.03 -0.24 -0.34 0.00 -0.26 0.00 0.00 57.72 56.85 3lo3 n HIS 69 Cb 0.09 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 31.31 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3lo3 n SER 70 N 1.13 0.32 0.36 0.41 3.41 0.21 -4.78 113.62 114.69 3lo3 n SER 70 Ca 0.15 0.58 -0.18 0.00 -0.26 0.00 0.00 58.87 59.16 3lo3 n SER 70 Cb 0.51 -1.42 -0.09 0.00 -0.26 0.00 0.00 64.21 62.95 3lo3 n SER 70 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3lo3 h GLU 71 N -0.75 -0.85 -0.53 4.33 4.81 -1.88 -2.08 114.58 117.63 3lo3 h GLU 71 Ca -0.46 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 58.98 3lo3 h GLU 71 Cb 1.31 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 3lo3 h GLU 71 CO 0.45 -0.56 0.42 1.49 -0.73 0.00 0.00 179.01 180.07 3lo3 h GLU 72 N -0.88 0.00 0.11 1.92 4.81 -1.93 -2.81 114.58 115.79 3lo3 h GLU 72 Ca -0.09 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.79 3lo3 h GLU 72 Cb 0.68 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3lo3 h GLU 72 CO 0.15 0.00 -1.94 -0.92 -0.73 0.00 0.00 179.01 175.57 3lo3 h TYR 73 N 0.00 0.43 -0.11 0.92 3.20 -1.73 -3.33 116.97 116.35 3lo3 h TYR 73 Ca 0.25 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.84 3lo3 h TYR 73 Cb 1.10 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 3lo3 h TYR 73 CO 0.00 1.67 0.09 1.96 -1.64 0.00 0.00 178.16 180.24 3lo3 h GLN 74 N 0.06 0.00 0.00 1.82 1.08 -1.12 -0.87 115.11 116.08 3lo3 h GLN 74 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3lo3 h GLN 74 Cb 2.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.47 3lo3 h GLN 74 CO 0.09 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.97 3lo3 n ALA 75 N -2.47 1.64 0.01 3.87 0.00 -1.16 -2.28 120.51 120.11 3lo3 n ALA 75 Ca -0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.48 3lo3 n ALA 75 Cb 0.21 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 3lo3 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lo3 n LEU 76 N -1.47 0.17 0.06 0.00 7.99 -0.33 -4.63 117.00 118.79 3lo3 n LEU 76 Ca 0.04 0.07 -0.11 0.00 -0.01 0.00 0.00 56.01 55.99 3lo3 n LEU 76 Cb 0.15 0.02 -0.05 0.00 -0.11 0.00 0.00 43.42 43.44 3lo3 n LEU 76 CO 0.12 0.00 0.76 0.40 -1.51 0.00 0.00 177.39 177.17 3lo3 h ILE 77 N 0.00 0.63 -0.77 -0.08 2.04 -1.53 0.73 117.51 118.53 3lo3 h ILE 77 Ca -0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.00 3lo3 h ILE 77 Cb 1.10 0.63 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 3lo3 h ILE 77 CO 0.00 0.00 0.16 0.77 0.00 0.00 0.00 178.15 179.09 3lo3 h SER 78 N -0.26 -0.04 0.95 1.72 4.64 -1.82 0.17 113.55 118.91 3lo3 h SER 78 Ca 0.05 0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 3lo3 h SER 78 Cb 0.32 0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 3lo3 h SER 78 CO -0.14 -0.08 -1.07 0.00 -0.87 0.00 0.00 176.83 174.66 3lo3 h THR 79 N 0.23 1.62 -0.31 2.95 1.03 -1.73 -3.04 112.91 113.66 3lo3 h THR 79 Ca 0.44 -3.35 0.07 0.00 -0.01 0.00 0.00 66.41 63.56 3lo3 h THR 79 Cb 0.79 2.80 -0.07 0.00 -1.07 0.00 0.00 68.15 70.60 3lo3 h THR 79 CO -0.56 0.92 -0.16 -0.09 -0.01 0.00 0.00 175.52 175.62 3lo3 h ARG 80 N 0.00 -0.11 0.00 0.00 2.43 0.17 -1.59 114.38 115.28 3lo3 h ARG 80 Ca -0.04 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3lo3 h ARG 80 Cb 1.79 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 3lo3 h ARG 80 CO 0.12 -0.07 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.80 3lo3 h ASP 81 N -0.11 0.00 -0.54 -3.80 3.32 -1.15 -2.07 116.42 112.06 3lo3 h ASP 81 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3lo3 h ASP 81 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3lo3 h ASP 81 CO -0.39 0.27 0.14 -0.07 -1.72 0.00 0.00 179.24 177.47 3lo3 h LEU 82 N 0.00 0.82 -1.99 1.55 3.38 -1.23 -3.40 115.31 114.44 3lo3 h LEU 82 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3lo3 h LEU 82 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3lo3 h LEU 82 CO 0.04 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.01 3lo3 n GLY 83 N -0.63 1.66 3.28 0.83 0.00 -0.68 -4.08 105.19 105.58 3lo3 n GLY 83 Ca 0.02 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.70 3.60 0.18 1.61 -0.00 -0.46 -1.82 116.67 119.08 3lo3 s ASP 85 Ca 0.29 -0.45 -0.03 0.00 -0.00 0.00 0.00 52.55 52.36 3lo3 s ASP 85 Cb 0.19 -1.53 -0.03 0.00 -0.00 0.00 0.00 42.92 41.54 3lo3 s ASP 85 CO 0.14 0.13 0.16 -0.94 -0.00 0.00 0.00 175.17 174.66 3lo3 s SER 86 N 0.52 0.16 -0.06 0.27 1.04 -1.26 -0.51 113.70 113.87 3lo3 s SER 86 Ca -0.11 -1.25 0.06 0.00 0.48 0.00 0.00 55.95 55.13 3lo3 s SER 86 Cb -0.16 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 3lo3 s SER 86 CO 0.04 -0.85 -0.24 0.00 0.98 0.00 0.00 173.24 173.18 3lo3 s GLN 87 N -4.10 2.43 -0.18 4.02 -2.07 0.36 -4.98 119.66 115.13 3lo3 s GLN 87 Ca 0.31 -0.86 -0.00 0.00 -1.82 0.00 0.00 55.36 52.99 3lo3 s GLN 87 Cb 0.06 -2.06 0.01 0.00 -1.09 0.00 0.00 33.01 29.92 3lo3 s GLN 87 CO 0.08 0.36 -0.15 -0.06 -1.32 0.00 0.00 175.29 174.20 3lo3 s PHE 88 N -0.13 2.81 0.19 9.60 0.08 -1.26 -1.85 117.98 127.41 3lo3 s PHE 88 Ca -0.04 -1.25 0.11 0.00 0.12 0.00 0.00 56.93 55.88 3lo3 s PHE 88 Cb -0.13 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 3lo3 s PHE 88 CO 0.03 -0.61 -0.24 1.14 -0.10 0.00 0.00 175.22 175.44 3lo3 s GLN 89 N 1.12 1.50 0.00 0.44 0.00 -0.25 -4.95 119.66 117.52 3lo3 s GLN 89 Ca 0.00 -1.51 0.07 0.00 -0.00 0.00 0.00 55.36 53.93 3lo3 s GLN 89 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 33.01 31.02 3lo3 s GLN 89 CO -0.05 0.40 -0.21 -1.17 0.00 0.00 0.00 175.29 174.25 3lo3 s LEU 90 N -2.62 2.41 -0.12 2.60 2.96 -1.26 -0.32 118.68 122.32 3lo3 s LEU 90 Ca 0.20 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 3lo3 s LEU 90 Cb -0.08 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.21 3lo3 s LEU 90 CO 0.09 0.29 0.30 -0.63 -1.32 0.00 0.00 176.35 175.08 3lo3 s ILE 91 N -0.78 -0.01 0.00 6.68 1.09 -0.51 -5.01 121.20 122.66 3lo3 s ILE 91 Ca 0.12 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 3lo3 s ILE 91 Cb -0.10 -0.43 0.00 0.00 -1.06 0.00 0.00 42.46 40.87 3lo3 s ILE 91 CO 0.02 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.48