#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 5.82 -1.31 -3.46 4.22 -1.26 -5.03 114.94 113.92 3lo3 s ASN 0 Ca 0.00 0.26 -0.12 0.00 -2.14 0.00 0.00 52.86 50.85 3lo3 s ASN 0 Cb 0.00 -1.50 0.13 0.00 1.28 0.00 0.00 41.25 41.16 3lo3 s ASN 0 CO 0.00 -0.70 1.85 0.00 -2.04 0.00 0.00 177.10 176.21 3lo3 n ALA 1 N -2.07 4.89 -1.60 3.54 0.00 -1.26 -5.00 120.51 119.01 3lo3 n ALA 1 Ca 0.02 -4.15 -0.45 0.00 0.00 0.00 0.00 53.44 48.86 3lo3 n ALA 1 Cb 0.58 -3.20 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 3lo3 n ALA 1 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3lo3 n THR 2 N 4.36 1.75 -4.35 0.00 -1.04 -1.26 -4.11 114.28 109.63 3lo3 n THR 2 Ca 0.43 -0.44 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3lo3 n THR 2 Cb 0.39 -1.01 -0.12 0.00 -1.82 0.00 0.00 70.33 67.77 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 -0.85 2.15 0.01 2.41 0.00 -0.74 -4.85 121.76 119.89 3lo3 s ALA 3 Ca 0.62 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3lo3 s ALA 3 Cb -0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3lo3 s ALA 3 CO 0.58 0.42 -0.10 0.71 0.00 0.00 0.00 175.76 177.37 3lo3 s TYR 4 N -1.33 0.91 -0.15 0.00 2.02 -0.05 -0.96 117.35 117.80 3lo3 s TYR 4 Ca 0.13 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3lo3 s TYR 4 Cb -0.09 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 3lo3 s TYR 4 CO 0.06 -0.01 -0.03 0.42 -1.57 0.00 0.00 175.55 174.42 3lo3 s ILE 5 N -0.51 3.93 -0.23 2.71 1.01 -0.00 -0.96 121.20 127.14 3lo3 s ILE 5 Ca 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 3lo3 s ILE 5 Cb -0.05 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3lo3 s ILE 5 CO 0.00 0.50 0.01 -0.63 0.00 0.00 0.00 174.94 174.82 3lo3 s ILE 6 N 0.24 3.79 -0.00 2.92 1.01 -0.26 -0.36 121.20 128.54 3lo3 s ILE 6 Ca -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3lo3 s ILE 6 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3lo3 s ILE 6 CO 0.03 0.38 0.08 0.68 0.00 0.00 0.00 174.94 176.11 3lo3 s VAL 7 N 1.54 4.73 -0.11 2.92 -7.23 0.14 -0.91 120.40 121.48 3lo3 s VAL 7 Ca 0.06 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 3lo3 s VAL 7 Cb -0.15 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.64 3lo3 s VAL 7 CO -0.00 0.34 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.14 3lo3 s GLY 8 N -1.76 1.06 0.11 2.32 0.00 0.13 -1.58 107.32 107.60 3lo3 s GLY 8 Ca 0.23 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 3lo3 s GLY 8 CO 0.14 0.20 0.12 0.48 0.00 0.00 0.00 173.10 174.04 3lo3 s LEU 9 N 0.96 1.67 -0.13 0.66 -0.00 0.14 -0.30 118.68 121.67 3lo3 s LEU 9 Ca -0.07 -0.98 -0.04 0.00 -0.00 0.00 0.00 54.13 53.04 3lo3 s LEU 9 Cb -0.15 0.62 0.07 0.00 -0.00 0.00 0.00 46.19 46.73 3lo3 s LEU 9 CO -0.01 -0.74 0.21 -0.89 -0.00 0.00 0.00 176.35 174.92 3lo3 s THR 10 N -3.97 -0.34 0.18 5.48 2.01 -0.43 -0.74 115.64 117.83 3lo3 s THR 10 Ca 0.15 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 3lo3 s THR 10 Cb 0.06 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 72.03 3lo3 s THR 10 CO -0.04 0.05 1.47 -2.84 -0.69 0.00 0.00 174.62 172.57 3lo3 s PRO 11 N 2.35 4.27 0.00 4.92 0.02 -1.26 -1.33 135.00 143.97 3lo3 s PRO 11 Ca 0.03 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3lo3 s PRO 11 Cb -0.13 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3lo3 s PRO 11 CO -0.08 -0.49 0.00 1.63 -0.33 0.00 0.00 177.00 177.73 3lo3 n LYS 12 N 3.43 0.00 -2.46 5.54 5.02 -0.05 -4.89 118.16 124.75 3lo3 n LYS 12 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 3lo3 n LYS 12 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.39 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 -0.61 6.40 0.12 4.39 -1.08 -1.10 -4.94 116.67 119.86 3lo3 s ASP 13 Ca 0.00 0.52 -0.20 0.00 -0.52 0.00 0.00 52.55 52.35 3lo3 s ASP 13 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3lo3 s ASP 13 CO 0.00 -1.44 1.72 0.00 0.52 0.00 0.00 175.17 175.97 3lo3 h ALA 14 N 10.18 0.13 -0.06 3.66 0.00 -1.90 -0.16 119.26 131.12 3lo3 h ALA 14 Ca -0.26 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3lo3 h ALA 14 Cb 1.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3lo3 h ALA 14 CO 1.13 -0.45 -0.05 1.49 0.00 0.00 0.00 179.25 181.37 3lo3 h GLU 15 N 0.04 -0.05 -0.34 0.00 4.81 -1.96 -2.21 114.58 114.87 3lo3 h GLU 15 Ca 0.08 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3lo3 h GLU 15 Cb 0.10 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3lo3 h GLU 15 CO -0.14 -0.03 0.13 0.87 -0.73 0.00 0.00 179.01 179.10 3lo3 h LYS 16 N -0.05 0.47 0.00 1.92 6.56 -1.85 -1.76 116.57 121.86 3lo3 h LYS 16 Ca 0.04 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.50 3lo3 h LYS 16 Cb 0.11 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3lo3 h LYS 16 CO -0.10 0.40 -0.34 1.25 -2.06 0.00 0.00 179.45 178.61 3lo3 h LEU 17 N 0.47 0.00 0.03 2.94 5.85 -0.45 -1.50 115.31 122.65 3lo3 h LEU 17 Ca 0.12 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 3lo3 h LEU 17 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3lo3 h LEU 17 CO -0.01 0.34 -1.34 -0.61 -0.34 0.00 0.00 178.44 176.47 3lo3 h GLN 18 N 0.00 0.06 -0.56 1.25 4.15 -0.79 -1.64 115.11 117.59 3lo3 h GLN 18 Ca -0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 3lo3 h GLN 18 Cb 0.62 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 3lo3 h GLN 18 CO 0.04 0.88 0.33 1.96 -1.93 0.00 0.00 178.83 180.12 3lo3 h GLN 19 N 0.02 0.76 0.16 1.69 4.20 -1.07 -1.80 115.11 119.06 3lo3 h GLN 19 Ca -0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3lo3 h GLN 19 Cb 1.90 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.53 3lo3 h GLN 19 CO 0.12 0.55 -0.08 -0.92 -0.67 0.00 0.00 178.83 177.84 3lo3 h TYR 20 N 0.75 -0.20 -0.68 2.96 3.20 -1.25 -2.94 116.97 118.81 3lo3 h TYR 20 Ca 0.20 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3lo3 h TYR 20 Cb -0.01 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3lo3 h TYR 20 CO -0.02 0.01 0.45 0.78 -1.64 0.00 0.00 178.16 177.74 3lo3 h GLY 21 N -0.37 0.93 0.96 1.82 0.00 -1.28 -2.60 103.07 102.53 3lo3 h GLY 21 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3lo3 h GLY 21 CO 0.04 0.29 0.21 0.00 0.00 0.00 0.00 176.54 177.07 3lo3 h ALA 22 N 1.60 0.60 0.00 3.60 0.00 -1.27 -3.27 119.26 120.52 3lo3 h ALA 22 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3lo3 h ALA 22 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3lo3 h ALA 22 CO -0.07 0.18 -0.17 0.00 0.00 0.00 0.00 179.25 179.19 3lo3 h ARG 23 N 0.60 0.00 -0.01 0.00 3.08 -1.29 -3.40 114.38 113.36 3lo3 h ARG 23 Ca 0.16 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3lo3 h ARG 23 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3lo3 h ARG 23 CO -0.02 0.00 -0.56 -0.24 -1.07 0.00 0.00 179.97 178.09 3lo3 h VAL 24 N 0.00 1.43 -1.06 2.04 3.04 -1.55 -3.34 116.25 116.81 3lo3 h VAL 24 Ca 0.00 -2.04 0.29 0.00 -1.01 0.00 0.00 66.70 63.94 3lo3 h VAL 24 Cb 0.90 2.57 -0.11 0.00 -2.01 0.00 0.00 31.29 32.64 3lo3 h VAL 24 CO 0.00 0.59 0.66 0.00 -1.01 0.00 0.00 177.57 177.81 3lo3 h ALA 25 N 0.33 2.15 -0.25 3.17 0.00 -1.77 0.71 119.26 123.60 3lo3 h ALA 25 Ca -0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3lo3 h ALA 25 Cb 1.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3lo3 h ALA 25 CO 0.11 -0.63 0.14 0.66 0.00 0.00 0.00 179.25 179.54 3lo3 h SER 26 N 0.39 0.31 -0.07 0.00 4.64 -1.87 -2.39 113.55 114.56 3lo3 h SER 26 Ca 0.65 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.93 3lo3 h SER 26 Cb 1.59 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3lo3 h SER 26 CO -0.40 0.29 0.20 0.71 -0.87 0.00 0.00 176.83 176.76 3lo3 h THR 27 N 0.30 0.17 0.12 2.95 1.35 0.29 -2.75 112.91 115.34 3lo3 h THR 27 Ca 0.09 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.67 3lo3 h THR 27 Cb 0.04 0.82 0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3lo3 h THR 27 CO -0.02 0.00 -1.21 -0.07 -0.25 0.00 0.00 175.52 173.98 3lo3 h LEU 28 N 0.00 0.54 -1.32 3.87 3.38 -1.35 -3.37 115.31 117.07 3lo3 h LEU 28 Ca 0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3lo3 h LEU 28 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3lo3 h LEU 28 CO -0.00 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.92 3lo3 h ALA 29 N 0.54 1.00 0.00 1.53 0.00 -1.54 0.83 119.26 121.61 3lo3 h ALA 29 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3lo3 h ALA 29 Cb 1.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3lo3 h ALA 29 CO 0.21 0.00 -0.39 -0.22 0.00 0.00 0.00 179.25 178.85 3lo3 h LYS 30 N 0.00 0.00 -0.38 0.00 3.64 -1.75 -3.05 116.57 115.03 3lo3 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lo3 h LYS 30 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3lo3 h LYS 30 CO 0.00 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 3lo3 n TYR 31 N -3.31 0.75 -2.64 1.91 4.01 -0.32 -4.95 117.16 112.61 3lo3 n TYR 31 Ca 0.01 -0.62 -0.20 0.00 -0.16 0.00 0.00 57.90 56.93 3lo3 n TYR 31 Cb 0.61 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.35 -5.73 -4.79 7.72 7.64 -0.70 -4.51 113.62 113.60 3lo3 n SER 32 Ca 0.17 -0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 3lo3 n SER 32 Cb 0.63 -4.67 0.02 0.00 -1.01 0.00 0.00 64.21 59.17 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 -2.38 2.29 -0.20 0.23 0.00 0.14 -4.47 107.32 102.92 3lo3 s GLY 33 Ca 0.13 0.56 -0.19 0.00 0.00 0.00 0.00 44.72 45.21 3lo3 s GLY 33 CO 0.16 0.89 0.54 1.85 0.00 0.00 0.00 173.10 176.54 3lo3 s GLU 34 N -3.82 0.64 -0.42 2.90 2.12 -0.65 -4.58 118.70 114.89 3lo3 s GLU 34 Ca 0.67 0.72 -0.26 0.00 0.36 0.00 0.00 54.97 56.46 3lo3 s GLU 34 Cb -0.19 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.53 3lo3 s GLU 34 CO 0.34 -0.08 0.93 0.08 -0.54 0.00 0.00 175.26 175.99 3lo3 s VAL 35 N 0.22 4.51 -0.07 3.70 1.01 -1.26 -0.54 120.40 127.97 3lo3 s VAL 35 Ca -0.01 0.95 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 3lo3 s VAL 35 Cb -0.04 -4.40 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 3lo3 s VAL 35 CO 0.01 -0.71 0.97 0.25 0.00 0.00 0.00 175.10 175.61 3lo3 h LEU 36 N 10.38 0.16 -7.15 3.92 5.85 -1.14 -3.48 115.31 123.87 3lo3 h LEU 36 Ca -0.24 -0.83 -0.06 0.00 0.84 0.00 0.00 57.88 57.60 3lo3 h LEU 36 Cb 1.08 -0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.89 3lo3 h LEU 36 CO 1.01 0.97 0.08 0.54 -0.34 0.00 0.00 178.44 180.70 3lo3 s VAL 37 N -2.92 0.02 0.06 1.05 0.11 -1.21 -5.01 120.40 112.50 3lo3 s VAL 37 Ca -0.17 -0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 3lo3 s VAL 37 Cb -0.00 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3lo3 s VAL 37 CO 0.73 -0.10 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.77 3lo3 s LYS 38 N -2.37 0.63 0.00 1.54 -2.85 -1.26 -0.96 119.74 114.46 3lo3 s LYS 38 Ca -0.06 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 3lo3 s LYS 38 Cb -0.01 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 3lo3 s LYS 38 CO -0.01 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.77 3lo3 n GLY 39 N 0.23 3.40 3.73 0.59 0.00 -1.00 -5.00 105.19 107.14 3lo3 n GLY 39 Ca -0.15 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lo3 s SER 40 N 0.00 4.32 -0.05 1.61 0.01 -1.26 -1.27 113.70 117.06 3lo3 s SER 40 Ca 0.00 2.28 -0.18 0.00 1.31 0.00 0.00 55.95 59.37 3lo3 s SER 40 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3lo3 s SER 40 CO 0.00 -2.17 0.48 -0.69 0.41 0.00 0.00 173.24 171.27 3lo3 s VAL 41 N -2.08 5.05 -0.20 3.43 1.01 -0.60 -4.82 120.40 122.20 3lo3 s VAL 41 Ca 0.73 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 3lo3 s VAL 41 Cb -0.27 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3lo3 s VAL 41 CO 0.45 0.44 -0.11 -0.70 0.00 0.00 0.00 175.10 175.19 3lo3 s GLU 42 N -0.20 3.23 -0.08 2.72 2.12 -1.26 -4.99 118.70 120.24 3lo3 s GLU 42 Ca 0.26 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 3lo3 s GLU 42 Cb -0.16 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 3lo3 s GLU 42 CO 0.13 -0.18 1.31 -1.14 -0.54 0.00 0.00 175.26 174.84 3lo3 s GLN 43 N 1.36 4.28 -0.02 4.30 2.00 -1.26 -4.89 119.66 125.42 3lo3 s GLN 43 Ca 0.05 1.79 0.18 0.00 -2.00 0.00 0.00 55.36 55.38 3lo3 s GLN 43 Cb -0.14 -3.68 -0.28 0.00 0.80 0.00 0.00 33.01 29.72 3lo3 s GLN 43 CO -0.06 -0.61 0.44 1.28 -0.50 0.00 0.00 175.29 175.84 3lo3 n LEU 44 N 5.92 0.09 -3.63 3.68 4.77 -1.26 -5.01 117.00 121.56 3lo3 n LEU 44 Ca 0.13 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3lo3 n LEU 44 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3lo3 n LEU 44 CO 0.57 0.02 1.02 -2.28 -1.33 0.00 0.00 177.39 175.39 3lo3 s HIS 45 N -3.22 -0.17 0.00 -1.77 5.04 -1.26 -5.15 115.29 108.75 3lo3 s HIS 45 Ca -0.05 0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.83 3lo3 s HIS 45 Cb 0.12 0.46 0.00 0.00 0.04 0.00 0.00 32.58 33.20 3lo3 s HIS 45 CO 0.76 -0.12 0.00 0.41 -2.34 0.00 0.00 174.74 173.45 3lo3 n GLY 46 N 1.15 -0.46 3.27 1.59 0.00 -1.26 -4.89 105.19 104.60 3lo3 n GLY 46 Ca -0.07 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 1.12 -0.29 1.61 1.02 -1.26 -5.08 119.74 116.86 3lo3 s LYS 47 Ca 0.00 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 3lo3 s LYS 47 Cb 0.00 -0.70 0.12 0.00 -0.52 0.00 0.00 37.83 36.73 3lo3 s LYS 47 CO 0.00 0.08 0.64 0.12 -0.92 0.00 0.00 175.35 175.27 3lo3 s PHE 48 N -3.28 -1.25 -2.00 3.18 5.36 -1.26 -5.06 117.98 113.67 3lo3 s PHE 48 Ca 0.19 2.23 0.22 0.00 -0.96 0.00 0.00 56.93 58.61 3lo3 s PHE 48 Cb 0.02 0.74 1.34 0.00 -0.34 0.00 0.00 43.02 44.78 3lo3 s PHE 48 CO 0.02 -0.63 1.83 -0.85 -1.46 0.00 0.00 175.22 174.13 3lo3 n GLU 49 N 5.22 0.95 -4.38 10.12 0.00 -1.26 -4.86 120.64 126.43 3lo3 n GLU 49 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.75 3lo3 n GLU 49 Cb 0.51 -1.37 -0.12 0.00 0.00 0.00 0.00 31.44 30.46 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3lo3 s HIS 50 N -2.00 2.38 0.04 -1.84 3.76 -1.26 -4.96 115.29 111.41 3lo3 s HIS 50 Ca 0.34 -0.33 -0.16 0.00 -0.15 0.00 0.00 55.06 54.75 3lo3 s HIS 50 Cb 0.15 -1.23 -0.31 0.00 1.11 0.00 0.00 32.58 32.30 3lo3 s HIS 50 CO 0.26 0.43 1.05 0.87 -0.85 0.00 0.00 174.74 176.50 3lo3 h LYS 51 N 3.49 0.57 -4.57 1.40 1.79 -1.27 -3.46 116.57 114.52 3lo3 h LYS 51 Ca -0.49 -0.83 -0.23 0.00 -2.18 0.00 0.00 60.65 56.92 3lo3 h LYS 51 Cb 1.19 0.29 -0.15 0.00 -1.58 0.00 0.00 32.23 31.98 3lo3 h LYS 51 CO 0.45 1.38 -0.63 0.00 -1.08 0.00 0.00 179.45 179.58 3lo3 s ALA 52 N -2.82 1.12 0.01 3.86 0.00 -0.36 -1.55 121.76 122.01 3lo3 s ALA 52 Ca -0.10 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.25 3lo3 s ALA 52 Cb 0.05 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 3lo3 s ALA 52 CO 0.93 -0.53 -0.06 -0.65 0.00 0.00 0.00 175.76 175.45 3lo3 s GLN 53 N -4.10 0.47 0.00 0.00 -0.21 -0.40 -0.69 119.66 114.74 3lo3 s GLN 53 Ca 0.33 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.41 3lo3 s GLN 53 Cb 0.07 -0.40 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 3lo3 s GLN 53 CO 0.08 0.10 -0.16 0.08 -2.12 0.00 0.00 175.29 173.28 3lo3 s VAL 54 N -0.47 1.23 -0.16 1.09 1.01 -0.62 -2.36 120.40 120.12 3lo3 s VAL 54 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3lo3 s VAL 54 Cb -0.04 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3lo3 s VAL 54 CO -0.00 0.26 -0.14 -0.51 0.00 0.00 0.00 175.10 174.70 3lo3 s ILE 55 N -0.50 1.68 -0.01 2.22 1.10 -0.14 0.28 121.20 125.83 3lo3 s ILE 55 Ca 0.05 -0.77 -0.14 0.00 -0.51 0.00 0.00 60.65 59.28 3lo3 s ILE 55 Cb -0.07 -1.60 -0.06 0.00 0.15 0.00 0.00 42.46 40.89 3lo3 s ILE 55 CO 0.00 0.41 0.40 -0.76 -2.11 0.00 0.00 174.94 172.88 3lo3 s LEU 56 N 1.43 4.47 -0.11 8.50 2.01 0.51 -0.49 118.68 135.00 3lo3 s LEU 56 Ca 0.04 0.94 0.03 0.00 0.01 0.00 0.00 54.13 55.14 3lo3 s LEU 56 Cb -0.14 -2.57 -0.00 0.00 0.01 0.00 0.00 46.19 43.50 3lo3 s LEU 56 CO -0.11 0.32 -0.21 -0.70 1.01 0.00 0.00 176.35 176.67 3lo3 s GLU 57 N -1.03 3.13 0.29 1.70 2.12 0.30 -0.82 118.70 124.39 3lo3 s GLU 57 Ca 0.23 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.82 3lo3 s GLU 57 Cb -0.16 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.76 3lo3 s GLU 57 CO 0.13 0.16 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.84 3lo3 s PHE 58 N 0.42 2.11 -0.74 5.30 0.08 -0.13 -1.64 117.98 123.37 3lo3 s PHE 58 Ca -0.15 -0.56 0.26 0.00 0.12 0.00 0.00 56.93 56.59 3lo3 s PHE 58 Cb -0.17 -1.13 0.89 0.00 -0.57 0.00 0.00 43.02 42.05 3lo3 s PHE 58 CO 0.07 0.45 1.78 -2.30 -0.10 0.00 0.00 175.22 175.12 3lo3 n PRO 59 N -0.62 0.21 -3.52 0.24 -0.02 -1.26 -1.79 135.00 128.23 3lo3 n PRO 59 Ca -0.06 0.22 -0.17 0.00 -2.02 0.00 0.00 63.50 61.47 3lo3 n PRO 59 Cb 0.62 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 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 -4.22 -0.64 0.17 2.55 1.04 -1.26 -4.02 113.70 107.32 3lo3 s SER 60 Ca 0.10 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 3lo3 s SER 60 Cb 0.13 0.52 0.11 0.00 0.10 0.00 0.00 66.02 66.88 3lo3 s SER 60 CO 0.55 -0.60 1.72 -0.09 0.98 0.00 0.00 173.24 175.80 3lo3 h ARG 61 N 2.95 0.17 -0.80 4.02 2.43 -1.81 -1.62 114.38 119.71 3lo3 h ARG 61 Ca -0.26 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3lo3 h ARG 61 Cb 1.14 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 3lo3 h ARG 61 CO 0.38 0.11 0.53 0.93 -1.51 0.00 0.00 179.97 180.41 3lo3 h GLU 62 N 0.18 0.63 -0.13 0.20 4.39 -1.95 -0.26 114.58 117.63 3lo3 h GLU 62 Ca 0.19 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.71 3lo3 h GLU 62 Cb 0.24 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3lo3 h GLU 62 CO -0.27 0.41 -0.55 -0.44 -1.16 0.00 0.00 179.01 177.00 3lo3 h ASP 63 N 0.65 0.45 0.04 1.42 3.32 -1.69 -0.87 116.42 119.73 3lo3 h ASP 63 Ca 0.39 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3lo3 h ASP 63 Cb 0.60 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3lo3 h ASP 63 CO -0.15 0.91 -0.02 0.00 -1.72 0.00 0.00 179.24 178.26 3lo3 h ALA 64 N 1.10 -0.05 -0.43 3.45 0.00 -0.38 -2.03 119.26 120.92 3lo3 h ALA 64 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3lo3 h ALA 64 Cb 1.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3lo3 h ALA 64 CO 0.09 -0.41 0.28 -0.92 0.00 0.00 0.00 179.25 178.30 3lo3 h TYR 65 N -0.30 0.53 -0.30 0.00 3.20 -1.16 -2.30 116.97 116.64 3lo3 h TYR 65 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3lo3 h TYR 65 Cb 0.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3lo3 h TYR 65 CO 0.01 0.33 0.09 -0.91 -1.64 0.00 0.00 178.16 176.03 3lo3 h ASN 66 N 0.57 0.38 -0.08 -2.11 2.35 -1.17 -1.54 115.58 113.98 3lo3 h ASN 66 Ca 0.16 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3lo3 h ASN 66 Cb -0.05 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3lo3 h ASN 66 CO -0.05 0.38 -0.02 -0.25 -1.65 0.00 0.00 177.43 175.84 3lo3 h TRP 67 N 0.42 0.17 -0.50 1.19 7.01 -0.83 0.77 115.95 124.18 3lo3 h TRP 67 Ca 0.10 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.08 3lo3 h TRP 67 Cb 0.14 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 3lo3 h TRP 67 CO 0.00 0.48 0.33 -0.92 -2.79 0.00 0.00 178.44 175.55 3lo3 h TYR 68 N -0.19 0.58 -0.22 2.65 3.20 -1.20 -2.42 116.97 119.38 3lo3 h TYR 68 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3lo3 h TYR 68 Cb 0.43 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3lo3 h TYR 68 CO 0.06 0.36 0.00 0.72 -1.64 0.00 0.00 178.16 177.65 3lo3 n HIS 69 N -4.47 0.27 -1.79 -3.82 8.25 -0.60 -4.47 115.22 108.58 3lo3 n HIS 69 Ca 0.05 -0.14 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 3lo3 n HIS 69 Cb 0.10 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.64 4.92 0.39 0.41 1.04 0.23 -4.87 113.70 114.18 3lo3 s SER 70 Ca 0.35 2.26 0.14 0.00 0.48 0.00 0.00 55.95 59.17 3lo3 s SER 70 Cb 0.20 -2.58 0.81 0.00 0.10 0.00 0.00 66.02 64.54 3lo3 s SER 70 CO 0.29 -1.77 1.87 -0.08 0.98 0.00 0.00 173.24 174.53 3lo3 h GLU 71 N 0.34 0.00 -0.11 4.02 4.81 -1.90 -1.48 114.58 120.26 3lo3 h GLU 71 Ca -0.49 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 3lo3 h GLU 71 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3lo3 h GLU 71 CO 0.53 0.32 -0.62 1.05 -0.73 0.00 0.00 179.01 179.56 3lo3 h GLU 72 N 0.00 0.40 0.04 1.92 9.09 -1.93 -2.85 114.58 121.27 3lo3 h GLU 72 Ca -0.00 -0.29 -0.27 0.00 0.05 0.00 0.00 59.36 58.85 3lo3 h GLU 72 Cb 0.58 0.05 0.02 0.00 -1.65 0.00 0.00 28.75 27.75 3lo3 h GLU 72 CO 0.04 0.90 -1.10 -0.92 0.05 0.00 0.00 179.01 177.98 3lo3 h TYR 73 N 0.30 0.95 0.00 2.06 3.20 -1.76 -3.33 116.97 118.39 3lo3 h TYR 73 Ca -0.01 -0.55 -0.01 0.00 3.14 0.00 0.00 58.73 61.30 3lo3 h TYR 73 Cb 1.16 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 3lo3 h TYR 73 CO 0.04 1.38 -0.07 1.96 -1.64 0.00 0.00 178.16 179.83 3lo3 h GLN 74 N 0.32 0.00 0.00 1.82 1.08 -1.20 0.24 115.11 117.37 3lo3 h GLN 74 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3lo3 h GLN 74 Cb 1.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.19 3lo3 h GLN 74 CO 0.21 0.07 0.00 0.00 -0.95 0.00 0.00 178.83 178.16 3lo3 n ALA 75 N -2.30 1.81 0.88 3.87 0.00 -1.08 -2.38 120.51 121.32 3lo3 n ALA 75 Ca -0.02 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3lo3 n ALA 75 Cb 0.17 -1.39 0.31 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.14 0.46 -0.02 0.00 4.32 0.85 -4.56 117.00 115.92 3lo3 n LEU 76 Ca 0.03 0.17 -0.13 0.00 -0.02 0.00 0.00 56.01 56.07 3lo3 n LEU 76 Cb 0.27 -0.28 -0.10 0.00 -1.62 0.00 0.00 43.42 41.68 3lo3 n LEU 76 CO 0.22 0.05 0.50 0.40 -1.22 0.00 0.00 177.39 177.34 3lo3 h ILE 77 N 0.00 1.38 -0.74 -0.08 2.04 -1.53 -1.11 117.51 117.47 3lo3 h ILE 77 Ca 0.00 -1.50 0.19 0.00 1.00 0.00 0.00 64.86 64.55 3lo3 h ILE 77 Cb 0.57 2.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 3lo3 h ILE 77 CO 0.00 0.37 0.52 0.77 0.00 0.00 0.00 178.15 179.81 3lo3 h SER 78 N -0.73 0.16 0.61 1.72 4.64 -1.80 -0.83 113.55 117.33 3lo3 h SER 78 Ca -0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 3lo3 h SER 78 Cb 0.64 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.67 3lo3 h SER 78 CO 0.01 0.08 -1.54 0.00 -0.87 0.00 0.00 176.83 174.50 3lo3 h THR 79 N 0.17 1.03 -0.19 2.95 1.03 -1.83 -3.04 112.91 113.04 3lo3 h THR 79 Ca 0.36 -2.85 0.04 0.00 -0.01 0.00 0.00 66.41 63.96 3lo3 h THR 79 Cb 1.18 2.51 -0.04 0.00 -1.07 0.00 0.00 68.15 70.73 3lo3 h THR 79 CO -0.06 0.59 -0.07 -0.09 -0.01 0.00 0.00 175.52 175.88 3lo3 h ARG 80 N 0.00 -0.04 0.00 0.00 2.43 -0.19 -1.08 114.38 115.50 3lo3 h ARG 80 Ca -0.22 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3lo3 h ARG 80 Cb 1.95 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 3lo3 h ARG 80 CO 0.09 -0.02 -0.25 -0.44 -1.51 0.00 0.00 179.97 177.84 3lo3 h ASP 81 N -0.04 0.00 0.10 -3.80 3.45 -1.27 -1.57 116.42 113.29 3lo3 h ASP 81 Ca 0.10 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.39 3lo3 h ASP 81 Cb 0.18 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3lo3 h ASP 81 CO -0.22 0.25 -0.60 -0.07 -1.57 0.00 0.00 179.24 177.03 3lo3 h LEU 82 N 0.00 0.57 0.00 1.55 3.38 -1.36 -3.39 115.31 116.05 3lo3 h LEU 82 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3lo3 h LEU 82 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3lo3 h LEU 82 CO 0.03 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.20 3lo3 n GLY 83 N 0.33 -1.07 3.72 0.83 0.00 -0.44 -2.70 105.19 105.87 3lo3 n GLY 83 Ca -0.03 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.64 5.62 0.29 1.61 -0.00 -0.44 -0.87 116.67 120.24 3lo3 s ASP 85 Ca 0.20 0.21 -0.12 0.00 -0.00 0.00 0.00 52.55 52.84 3lo3 s ASP 85 Cb 0.15 -1.74 0.01 0.00 -0.00 0.00 0.00 42.92 41.33 3lo3 s ASP 85 CO 0.35 0.34 0.54 -0.94 -0.00 0.00 0.00 175.17 175.47 3lo3 s SER 86 N -0.64 0.09 -0.02 0.27 1.04 -1.26 -1.32 113.70 111.86 3lo3 s SER 86 Ca 0.11 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.57 3lo3 s SER 86 Cb -0.12 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 3lo3 s SER 86 CO 0.02 -1.26 -0.19 0.00 0.98 0.00 0.00 173.24 172.80 3lo3 s GLN 87 N -3.61 1.63 -0.11 4.02 -2.07 0.58 -4.96 119.66 115.14 3lo3 s GLN 87 Ca 0.22 -0.66 0.04 0.00 -1.82 0.00 0.00 55.36 53.13 3lo3 s GLN 87 Cb -0.02 -1.52 0.00 0.00 -1.09 0.00 0.00 33.01 30.38 3lo3 s GLN 87 CO 0.11 0.36 -0.23 -0.06 -1.32 0.00 0.00 175.29 174.15 3lo3 s PHE 88 N -0.30 2.55 -0.10 9.60 2.99 -1.26 -0.69 117.98 130.78 3lo3 s PHE 88 Ca 0.04 -1.10 0.03 0.00 0.00 0.00 0.00 56.93 55.90 3lo3 s PHE 88 Cb -0.09 -1.72 0.01 0.00 0.00 0.00 0.00 43.02 41.22 3lo3 s PHE 88 CO 0.00 -0.46 -0.20 -0.65 -0.00 0.00 0.00 175.22 173.92 3lo3 s GLN 89 N 0.45 2.59 -0.05 0.44 1.11 -0.09 -4.96 119.66 119.16 3lo3 s GLN 89 Ca -0.16 -0.72 -0.14 0.00 0.01 0.00 0.00 55.36 54.35 3lo3 s GLN 89 Cb -0.17 -2.03 -0.05 0.00 -1.01 0.00 0.00 33.01 29.74 3lo3 s GLN 89 CO 0.07 0.09 0.38 -1.17 0.01 0.00 0.00 175.29 174.66 3lo3 s LEU 90 N 0.56 4.41 -0.02 2.90 2.96 -1.26 -1.10 118.68 127.13 3lo3 s LEU 90 Ca -0.15 0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3lo3 s LEU 90 Cb -0.17 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3lo3 s LEU 90 CO 0.05 0.26 0.04 -0.63 -1.32 0.00 0.00 176.35 174.75 3lo3 s ILE 91 N -0.66 -0.04 0.00 6.68 1.01 -0.13 -5.01 121.20 123.04 3lo3 s ILE 91 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3lo3 s ILE 91 Cb -0.16 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.23 3lo3 s ILE 91 CO 0.11 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.73