#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 5.84 -1.40 -3.46 3.04 -1.26 -5.01 114.94 112.69 3lo3 s ASN 0 Ca 0.00 0.30 -0.09 0.00 0.04 0.00 0.00 52.86 53.11 3lo3 s ASN 0 Cb 0.00 -1.81 0.07 0.00 -1.54 0.00 0.00 41.25 37.98 3lo3 s ASN 0 CO 0.00 0.38 2.35 0.00 -3.04 0.00 0.00 177.10 176.78 3lo3 n ALA 1 N 2.18 6.37 -1.63 1.71 0.00 -1.26 -4.98 120.51 122.90 3lo3 n ALA 1 Ca -0.19 -3.99 -0.44 0.00 0.00 0.00 0.00 53.44 48.82 3lo3 n ALA 1 Cb 0.54 -3.10 -0.02 0.00 0.00 0.00 0.00 19.45 16.88 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 3.16 1.79 -4.41 0.00 -1.04 -1.26 -4.36 114.28 108.15 3lo3 n THR 2 Ca 0.58 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.05 61.91 3lo3 n THR 2 Cb 0.30 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.50 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 -0.88 2.44 0.02 2.41 0.00 -0.93 -4.86 121.76 119.96 3lo3 s ALA 3 Ca 0.60 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3lo3 s ALA 3 Cb -0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3lo3 s ALA 3 CO 0.59 0.26 -0.05 0.71 0.00 0.00 0.00 175.76 177.26 3lo3 s TYR 4 N -2.38 0.44 -0.13 0.00 2.02 -0.49 -0.73 117.35 116.07 3lo3 s TYR 4 Ca 0.24 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3lo3 s TYR 4 Cb -0.05 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.24 3lo3 s TYR 4 CO 0.11 -0.07 -0.20 0.42 -1.57 0.00 0.00 175.55 174.24 3lo3 s ILE 5 N -0.83 2.27 0.02 2.71 1.01 -0.61 -0.81 121.20 124.97 3lo3 s ILE 5 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3lo3 s ILE 5 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3lo3 s ILE 5 CO -0.00 0.54 0.01 0.27 0.00 0.00 0.00 174.94 175.77 3lo3 s ILE 6 N 0.68 4.22 -0.06 2.92 -5.25 -0.69 -0.38 121.20 122.65 3lo3 s ILE 6 Ca -0.09 -0.65 0.04 0.00 -0.99 0.00 0.00 60.65 58.96 3lo3 s ILE 6 Cb -0.16 -2.92 -0.00 0.00 2.95 0.00 0.00 42.46 42.33 3lo3 s ILE 6 CO 0.01 0.32 -0.18 -0.69 -1.79 0.00 0.00 174.94 172.61 3lo3 s VAL 7 N -1.15 1.55 -0.08 8.37 1.01 0.15 -2.14 120.40 128.10 3lo3 s VAL 7 Ca 0.21 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3lo3 s VAL 7 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3lo3 s VAL 7 CO 0.13 0.44 -0.03 -0.83 0.00 0.00 0.00 175.10 174.81 3lo3 s GLY 8 N 0.18 1.78 -0.04 4.51 0.00 -0.70 -1.64 107.32 111.41 3lo3 s GLY 8 Ca -0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 3lo3 s GLY 8 CO 0.04 -0.57 0.44 0.48 0.00 0.00 0.00 173.10 173.49 3lo3 s LEU 9 N -0.75 0.33 -0.20 0.66 0.05 -0.64 -0.76 118.68 117.37 3lo3 s LEU 9 Ca 0.12 0.37 0.00 0.00 0.05 0.00 0.00 54.13 54.66 3lo3 s LEU 9 Cb -0.11 1.69 0.05 0.00 -2.05 0.00 0.00 46.19 45.76 3lo3 s LEU 9 CO 0.02 -0.47 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.40 3lo3 s THR 10 N -1.12 1.34 0.07 5.48 2.01 -0.29 -1.34 115.64 121.80 3lo3 s THR 10 Ca -0.11 -0.90 -0.34 0.00 0.31 0.00 0.00 61.69 60.64 3lo3 s THR 10 Cb -0.03 -1.54 -0.14 0.00 0.01 0.00 0.00 72.50 70.80 3lo3 s THR 10 CO 0.06 0.05 1.64 -2.65 -0.69 0.00 0.00 174.62 173.03 3lo3 n PRO 11 N 4.77 2.02 -0.06 4.92 -0.02 -1.26 -2.51 135.00 142.86 3lo3 n PRO 11 Ca -0.13 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3lo3 n PRO 11 Cb 0.46 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.21 0.25 -3.64 -0.52 5.02 0.19 -4.94 118.16 118.73 3lo3 n LYS 12 Ca 0.19 0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 56.30 3lo3 n LYS 12 Cb 0.27 -0.93 -0.16 0.00 -0.02 0.00 0.00 35.03 34.20 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 -6.01 3.24 0.27 4.39 -1.08 -0.64 -5.01 116.67 111.84 3lo3 s ASP 13 Ca -0.16 -1.11 -0.00 0.00 -0.52 0.00 0.00 52.55 50.76 3lo3 s ASP 13 Cb 0.06 -0.49 0.53 0.00 -1.46 0.00 0.00 42.92 41.55 3lo3 s ASP 13 CO 0.21 -0.38 1.81 0.00 0.52 0.00 0.00 175.17 177.32 3lo3 h ALA 14 N 8.31 1.39 -0.06 3.66 0.00 -1.94 0.33 119.26 130.95 3lo3 h ALA 14 Ca -0.17 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3lo3 h ALA 14 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3lo3 h ALA 14 CO 0.39 0.10 0.01 0.93 0.00 0.00 0.00 179.25 180.68 3lo3 h GLU 15 N 0.84 0.09 0.00 0.00 4.39 -1.96 -0.14 114.58 117.80 3lo3 h GLU 15 Ca 0.47 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.98 3lo3 h GLU 15 Cb 0.53 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3lo3 h GLU 15 CO -0.29 0.30 -0.81 0.87 -1.16 0.00 0.00 179.01 177.92 3lo3 h LYS 16 N -0.13 0.00 0.11 2.33 6.56 -1.85 -2.52 116.57 121.07 3lo3 h LYS 16 Ca 0.02 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.62 3lo3 h LYS 16 Cb 0.25 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 3lo3 h LYS 16 CO 0.00 0.81 -0.19 1.25 -2.06 0.00 0.00 179.45 179.26 3lo3 h LEU 17 N 0.00 -0.53 -0.72 2.94 6.46 -0.21 -0.48 115.31 122.77 3lo3 h LEU 17 Ca -0.01 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.72 3lo3 h LEU 17 Cb 1.51 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 3lo3 h LEU 17 CO 0.10 -0.27 -0.05 0.06 -0.62 0.00 0.00 178.44 177.66 3lo3 h GLN 18 N -0.37 0.93 -0.10 1.25 -0.00 -1.03 0.09 115.11 115.88 3lo3 h GLN 18 Ca 0.02 -0.30 0.04 0.00 -0.00 0.00 0.00 58.65 58.42 3lo3 h GLN 18 Cb 0.39 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.48 27.73 3lo3 h GLN 18 CO -0.10 0.96 -0.28 1.96 -0.00 0.00 0.00 178.83 181.37 3lo3 h GLN 19 N 0.85 -0.35 -0.08 0.06 4.20 -1.28 -0.06 115.11 118.45 3lo3 h GLN 19 Ca 0.15 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3lo3 h GLN 19 Cb 0.57 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 3lo3 h GLN 19 CO 0.03 -0.23 -0.29 -0.92 -0.67 0.00 0.00 178.83 176.75 3lo3 h TYR 20 N -0.36 -0.79 -0.08 2.96 3.20 -0.44 -2.73 116.97 118.73 3lo3 h TYR 20 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3lo3 h TYR 20 Cb 0.50 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3lo3 h TYR 20 CO -0.36 -0.38 -0.00 0.78 -1.64 0.00 0.00 178.16 176.56 3lo3 h GLY 21 N -0.39 0.12 0.85 1.82 0.00 -0.53 -2.81 103.07 102.13 3lo3 h GLY 21 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3lo3 h GLY 21 CO -0.30 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.29 3lo3 n ALA 22 N -2.52 2.53 -1.00 3.60 0.00 -0.08 -3.56 120.51 119.49 3lo3 n ALA 22 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3lo3 n ALA 22 Cb 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3lo3 n ALA 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3lo3 n ARG 23 N -0.92 -0.00 -0.31 0.00 1.85 -1.08 -4.86 116.66 111.34 3lo3 n ARG 23 Ca 0.18 -0.07 -0.05 0.00 -1.00 0.00 0.00 57.85 56.91 3lo3 n ARG 23 Cb 0.08 -0.50 0.07 0.00 -1.05 0.00 0.00 32.46 31.07 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3lo3 h VAL 24 N 1.28 1.26 -0.78 8.89 2.07 -1.57 -3.25 116.25 124.15 3lo3 h VAL 24 Ca 0.00 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.93 3lo3 h VAL 24 Cb 0.57 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3lo3 h VAL 24 CO 0.00 0.30 0.42 0.00 0.02 0.00 0.00 177.57 178.31 3lo3 h ALA 25 N 1.23 1.10 -0.02 1.67 0.00 -1.89 -0.32 119.26 121.03 3lo3 h ALA 25 Ca 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3lo3 h ALA 25 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3lo3 h ALA 25 CO -0.04 0.02 -0.13 0.66 0.00 0.00 0.00 179.25 179.76 3lo3 h SER 26 N 0.70 0.02 1.19 0.00 4.64 -1.94 -1.62 113.55 116.54 3lo3 h SER 26 Ca 0.38 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 3lo3 h SER 26 Cb 0.38 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3lo3 h SER 26 CO -0.26 0.16 -0.16 0.71 -0.87 0.00 0.00 176.83 176.41 3lo3 h THR 27 N 0.03 0.35 0.01 2.95 1.35 -1.18 -2.84 112.91 113.58 3lo3 h THR 27 Ca 0.00 -1.05 -0.22 0.00 -0.55 0.00 0.00 66.41 64.59 3lo3 h THR 27 Cb 0.25 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3lo3 h THR 27 CO 0.02 0.15 -1.05 -0.07 -0.25 0.00 0.00 175.52 174.32 3lo3 h LEU 28 N 0.00 0.04 -0.42 3.87 4.07 -1.11 -3.34 115.31 118.42 3lo3 h LEU 28 Ca -0.00 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.99 3lo3 h LEU 28 Cb 0.79 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.43 3lo3 h LEU 28 CO 0.02 1.04 -0.36 0.00 -1.08 0.00 0.00 178.44 178.05 3lo3 h ALA 29 N 0.96 -0.26 -1.03 1.53 0.00 -1.29 -1.22 119.26 117.96 3lo3 h ALA 29 Ca -0.03 0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.23 3lo3 h ALA 29 Cb 1.80 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 20.28 3lo3 h ALA 29 CO 0.14 -0.77 0.66 0.87 0.00 0.00 0.00 179.25 180.14 3lo3 h LYS 30 N -0.27 0.41 -0.17 0.00 1.79 -1.70 -0.92 116.57 115.70 3lo3 h LYS 30 Ca 0.17 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3lo3 h LYS 30 Cb 0.56 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3lo3 h LYS 30 CO -0.56 0.27 0.00 0.66 -1.08 0.00 0.00 179.45 178.74 3lo3 n TYR 31 N -4.63 0.57 -2.26 -1.35 4.01 -0.84 -4.96 117.16 107.69 3lo3 n TYR 31 Ca 0.25 -0.89 -0.18 0.00 -0.16 0.00 0.00 57.90 56.91 3lo3 n TYR 31 Cb 0.84 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.79 -5.20 -4.68 7.72 7.64 -0.35 -4.62 113.62 113.34 3lo3 n SER 32 Ca 0.19 0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.89 3lo3 n SER 32 Cb 0.77 -4.40 0.16 0.00 -1.01 0.00 0.00 64.21 59.73 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 -2.13 1.59 -0.28 0.23 0.00 -0.54 -4.50 107.32 101.69 3lo3 s GLY 33 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 44.72 44.33 3lo3 s GLY 33 CO 0.00 0.40 0.93 1.85 0.00 0.00 0.00 173.10 176.28 3lo3 s GLU 34 N -4.89 0.59 -0.17 2.90 2.12 -0.66 -4.75 118.70 113.83 3lo3 s GLU 34 Ca 0.65 0.75 -0.25 0.00 0.36 0.00 0.00 54.97 56.47 3lo3 s GLU 34 Cb -0.19 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 3lo3 s GLU 34 CO 0.58 -0.08 0.84 0.08 -0.54 0.00 0.00 175.26 176.14 3lo3 s VAL 35 N 0.47 4.87 -0.06 3.70 1.01 -1.26 -0.22 120.40 128.91 3lo3 s VAL 35 Ca 0.00 1.64 0.16 0.00 0.00 0.00 0.00 61.98 63.79 3lo3 s VAL 35 Cb -0.05 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.94 3lo3 s VAL 35 CO -0.06 0.02 0.28 0.00 0.00 0.00 0.00 175.10 175.34 3lo3 n LEU 36 N 5.26 0.00 -3.70 3.92 -0.00 -0.51 -4.99 117.00 116.98 3lo3 n LEU 36 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.92 3lo3 n LEU 36 Cb 0.49 0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 3lo3 n LEU 36 CO 0.48 0.11 0.17 -0.69 -0.00 0.00 0.00 177.39 177.47 3lo3 s VAL 37 N -2.95 0.00 0.09 1.47 1.01 -1.23 -5.01 120.40 113.78 3lo3 s VAL 37 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3lo3 s VAL 37 Cb 0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3lo3 s VAL 37 CO 0.69 -0.01 -0.08 -1.59 0.00 0.00 0.00 175.10 174.11 3lo3 s LYS 38 N 0.13 0.80 0.00 2.72 -2.85 -1.26 -0.30 119.74 118.98 3lo3 s LYS 38 Ca -0.01 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 53.74 3lo3 s LYS 38 Cb -0.03 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.44 3lo3 s LYS 38 CO 0.01 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.89 3lo3 n GLY 39 N 0.28 2.16 3.76 0.59 0.00 -0.62 -5.00 105.19 106.37 3lo3 n GLY 39 Ca -0.14 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 5.96 0.07 1.61 0.01 -1.26 -1.41 113.70 118.67 3lo3 s SER 40 Ca 0.00 2.48 -0.20 0.00 1.31 0.00 0.00 55.95 59.55 3lo3 s SER 40 Cb 0.00 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 3lo3 s SER 40 CO 0.00 -1.08 0.58 -0.69 0.41 0.00 0.00 173.24 172.46 3lo3 s VAL 41 N -1.43 4.75 -0.20 3.43 1.01 -0.96 -4.86 120.40 122.14 3lo3 s VAL 41 Ca 0.64 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 3lo3 s VAL 41 Cb -0.33 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 3lo3 s VAL 41 CO 0.41 0.54 -0.09 -0.70 0.00 0.00 0.00 175.10 175.25 3lo3 s GLU 42 N -0.99 3.27 -0.19 2.72 2.12 -1.26 -4.97 118.70 119.40 3lo3 s GLU 42 Ca 0.29 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 3lo3 s GLU 42 Cb -0.19 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 3lo3 s GLU 42 CO 0.19 -0.18 1.53 -1.14 -0.54 0.00 0.00 175.26 175.13 3lo3 s GLN 43 N 1.36 3.94 -0.12 4.30 2.00 -1.26 -4.86 119.66 125.01 3lo3 s GLN 43 Ca 0.05 1.70 -0.03 0.00 -2.00 0.00 0.00 55.36 55.07 3lo3 s GLN 43 Cb -0.14 -3.97 -0.25 0.00 0.80 0.00 0.00 33.01 29.45 3lo3 s GLN 43 CO -0.05 -1.11 0.35 1.28 -0.50 0.00 0.00 175.29 175.25 3lo3 n LEU 44 N 7.86 2.43 -3.72 3.68 4.77 -1.26 -4.99 117.00 125.77 3lo3 n LEU 44 Ca 0.17 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 3lo3 n LEU 44 Cb 0.45 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.50 3lo3 n LEU 44 CO 0.63 0.80 0.09 -2.28 -1.33 0.00 0.00 177.39 175.31 3lo3 s HIS 45 N -2.56 -0.48 0.00 -1.77 5.04 -1.26 -5.15 115.29 109.11 3lo3 s HIS 45 Ca -0.21 1.15 0.00 0.00 -1.54 0.00 0.00 55.06 54.46 3lo3 s HIS 45 Cb 0.07 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.86 3lo3 s HIS 45 CO 0.76 -0.24 0.00 0.41 -2.34 0.00 0.00 174.74 173.33 3lo3 n GLY 46 N 3.03 -0.95 3.65 1.59 0.00 -1.26 -4.91 105.19 106.35 3lo3 n GLY 46 Ca -0.14 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 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 2.38 -0.30 1.61 -0.14 -1.26 -5.03 119.74 116.99 3lo3 s LYS 47 Ca 0.00 -1.09 -0.16 0.00 -1.36 0.00 0.00 55.97 53.36 3lo3 s LYS 47 Cb 0.00 -2.36 0.17 0.00 -1.68 0.00 0.00 37.83 33.96 3lo3 s LYS 47 CO 0.00 0.46 1.05 0.12 -0.76 0.00 0.00 175.35 176.22 3lo3 s PHE 48 N -1.67 -0.55 -0.22 3.18 5.36 -1.26 -5.09 117.98 117.74 3lo3 s PHE 48 Ca 0.27 0.96 0.14 0.00 -0.96 0.00 0.00 56.93 57.33 3lo3 s PHE 48 Cb -0.10 0.33 0.46 0.00 -0.34 0.00 0.00 43.02 43.38 3lo3 s PHE 48 CO 0.18 -0.27 1.36 -0.85 -1.46 0.00 0.00 175.22 174.18 3lo3 n GLU 49 N 4.87 2.04 -3.97 10.12 -0.00 -1.26 -4.94 120.64 127.50 3lo3 n GLU 49 Ca -0.09 -2.97 -0.21 0.00 -0.00 0.00 0.00 57.16 53.89 3lo3 n GLU 49 Cb 0.53 -1.74 -0.03 0.00 -0.00 0.00 0.00 31.44 30.19 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 -3.04 3.13 -0.24 -1.84 3.76 -1.26 -4.95 115.29 110.85 3lo3 s HIS 50 Ca 0.41 -0.14 0.21 0.00 -0.15 0.00 0.00 55.06 55.38 3lo3 s HIS 50 Cb 0.36 -1.57 0.03 0.00 1.11 0.00 0.00 32.58 32.51 3lo3 s HIS 50 CO 0.02 0.39 1.11 0.87 -0.85 0.00 0.00 174.74 176.28 3lo3 h LYS 51 N 1.33 0.00 -3.44 1.40 1.57 -1.58 -3.47 116.57 112.38 3lo3 h LYS 51 Ca -0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3lo3 h LYS 51 Cb 1.24 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 3lo3 h LYS 51 CO 0.60 0.09 -0.01 0.00 -0.57 0.00 0.00 179.45 179.56 3lo3 s ALA 52 N -3.23 -0.56 0.08 3.86 0.00 -0.98 -2.25 121.76 118.66 3lo3 s ALA 52 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3lo3 s ALA 52 Cb 0.09 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 3lo3 s ALA 52 CO 0.77 -0.91 -0.05 -0.65 0.00 0.00 0.00 175.76 174.92 3lo3 s GLN 53 N -3.99 0.72 -0.00 0.00 -0.21 -0.50 -1.62 119.66 114.05 3lo3 s GLN 53 Ca 0.19 -1.22 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 3lo3 s GLN 53 Cb -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.91 3lo3 s GLN 53 CO 0.08 -0.04 0.13 0.08 -2.12 0.00 0.00 175.29 173.42 3lo3 s VAL 54 N -3.42 0.07 -0.11 1.09 1.01 -0.65 -1.59 120.40 116.80 3lo3 s VAL 54 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3lo3 s VAL 54 Cb 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 36.06 3lo3 s VAL 54 CO -0.06 -0.34 -0.05 -0.63 0.00 0.00 0.00 175.10 174.03 3lo3 s ILE 55 N -1.20 0.82 0.05 2.22 1.01 0.59 0.32 121.20 125.01 3lo3 s ILE 55 Ca -0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 3lo3 s ILE 55 Cb -0.07 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3lo3 s ILE 55 CO 0.01 0.30 0.23 -0.76 0.00 0.00 0.00 174.94 174.72 3lo3 s LEU 56 N 1.79 4.35 -0.08 2.97 2.01 0.49 -1.43 118.68 128.79 3lo3 s LEU 56 Ca 0.04 0.34 0.00 0.00 0.01 0.00 0.00 54.13 54.53 3lo3 s LEU 56 Cb -0.13 -2.92 0.02 0.00 0.01 0.00 0.00 46.19 43.18 3lo3 s LEU 56 CO -0.07 0.18 -0.06 -0.70 1.01 0.00 0.00 176.35 176.70 3lo3 s GLU 57 N -2.36 1.21 0.28 1.70 2.12 0.69 -1.57 118.70 120.77 3lo3 s GLU 57 Ca 0.34 -0.18 0.10 0.00 0.36 0.00 0.00 54.97 55.59 3lo3 s GLU 57 Cb -0.13 -1.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.98 3lo3 s GLU 57 CO 0.25 -0.16 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.60 3lo3 s PHE 58 N 1.30 2.21 0.54 5.30 0.08 0.09 -1.66 117.98 125.83 3lo3 s PHE 58 Ca -0.04 -0.43 0.32 0.00 0.12 0.00 0.00 56.93 56.89 3lo3 s PHE 58 Cb -0.14 -1.06 1.80 0.00 -0.57 0.00 0.00 43.02 43.05 3lo3 s PHE 58 CO -0.03 0.60 2.21 -1.35 -0.10 0.00 0.00 175.22 176.56 3lo3 h PRO 59 N 2.25 0.00 -1.74 0.24 0.11 -1.82 -2.47 132.00 128.58 3lo3 h PRO 59 Ca -0.40 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.78 3lo3 h PRO 59 Cb 1.25 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.15 3lo3 h PRO 59 CO 0.63 0.04 0.50 -1.54 -0.21 0.00 0.00 178.00 177.42 3lo3 s SER 60 N -5.98 -0.39 0.41 -2.05 1.04 -1.26 -4.23 113.70 101.23 3lo3 s SER 60 Ca -0.04 0.35 0.19 0.00 0.48 0.00 0.00 55.95 56.93 3lo3 s SER 60 Cb 0.14 0.34 1.12 0.00 0.10 0.00 0.00 66.02 67.72 3lo3 s SER 60 CO 0.54 -0.42 1.79 -0.09 0.98 0.00 0.00 173.24 176.04 3lo3 h ARG 61 N 2.49 0.37 -0.15 4.02 2.43 -1.85 0.24 114.38 121.93 3lo3 h ARG 61 Ca -0.20 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3lo3 h ARG 61 Cb 1.18 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3lo3 h ARG 61 CO 0.32 0.24 -0.11 1.49 -1.51 0.00 0.00 179.97 180.41 3lo3 h GLU 62 N 0.38 -0.11 -0.37 0.20 4.81 -1.95 -1.29 114.58 116.25 3lo3 h GLU 62 Ca 0.57 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.68 3lo3 h GLU 62 Cb 1.47 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 3lo3 h GLU 62 CO -0.26 -0.07 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.24 3lo3 h ASP 63 N -0.11 0.79 0.04 1.04 3.32 -1.30 0.19 116.42 120.39 3lo3 h ASP 63 Ca 0.09 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3lo3 h ASP 63 Cb 0.25 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3lo3 h ASP 63 CO -0.22 1.02 -0.02 0.00 -1.72 0.00 0.00 179.24 178.30 3lo3 h ALA 64 N 1.03 -0.05 -0.32 3.45 0.00 -1.29 0.33 119.26 122.40 3lo3 h ALA 64 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3lo3 h ALA 64 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3lo3 h ALA 64 CO 0.07 -0.53 -0.04 -0.92 0.00 0.00 0.00 179.25 177.83 3lo3 h TYR 65 N -0.06 0.66 -0.03 0.00 3.20 -1.09 -1.15 116.97 118.51 3lo3 h TYR 65 Ca -0.01 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 3lo3 h TYR 65 Cb 0.04 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3lo3 h TYR 65 CO -0.08 0.75 -0.44 -0.91 -1.64 0.00 0.00 178.16 175.84 3lo3 h ASN 66 N 0.39 0.06 0.22 -2.11 2.35 -0.88 -2.06 115.58 113.54 3lo3 h ASN 66 Ca 0.09 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3lo3 h ASN 66 Cb 0.51 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3lo3 h ASN 66 CO 0.02 0.50 -0.10 -0.25 -1.65 0.00 0.00 177.43 175.95 3lo3 h TRP 67 N 0.05 -0.27 -0.95 1.19 7.01 -0.03 -1.83 115.95 121.11 3lo3 h TRP 67 Ca 0.00 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.09 3lo3 h TRP 67 Cb 0.80 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.88 3lo3 h TRP 67 CO 0.00 -0.05 0.61 -0.92 -2.79 0.00 0.00 178.44 175.29 3lo3 h TYR 68 N -0.44 1.07 -0.42 2.65 3.20 -0.92 -1.65 116.97 120.46 3lo3 h TYR 68 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3lo3 h TYR 68 Cb 0.34 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3lo3 h TYR 68 CO -0.02 0.48 0.00 0.72 -1.64 0.00 0.00 178.16 177.70 3lo3 n HIS 69 N -4.55 0.56 -0.75 -3.82 8.25 -0.80 -4.49 115.22 109.63 3lo3 n HIS 69 Ca 0.17 -0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.04 3lo3 n HIS 69 Cb 0.30 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.05 2.63 0.07 0.41 1.04 -0.62 -4.89 113.70 111.29 3lo3 s SER 70 Ca 0.30 1.95 -0.17 0.00 0.48 0.00 0.00 55.95 58.51 3lo3 s SER 70 Cb 0.16 -2.48 -0.14 0.00 0.10 0.00 0.00 66.02 63.66 3lo3 s SER 70 CO 0.21 -3.25 1.32 -0.33 0.98 0.00 0.00 173.24 172.17 3lo3 h GLU 71 N -1.97 0.58 -0.39 4.02 5.08 -1.90 -2.68 114.58 117.32 3lo3 h GLU 71 Ca -0.48 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 57.52 3lo3 h GLU 71 Cb 1.28 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3lo3 h GLU 71 CO 0.45 1.00 0.19 0.93 -1.00 0.00 0.00 179.01 180.58 3lo3 h GLU 72 N 0.24 0.38 -0.01 2.33 3.07 -1.93 -2.28 114.58 116.37 3lo3 h GLU 72 Ca 0.00 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.67 3lo3 h GLU 72 Cb 1.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 3lo3 h GLU 72 CO 0.09 0.25 -0.75 -0.92 -1.40 0.00 0.00 179.01 176.28 3lo3 h TYR 73 N 0.39 0.16 -0.23 4.33 3.20 -1.83 -3.28 116.97 119.71 3lo3 h TYR 73 Ca 0.17 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3lo3 h TYR 73 Cb 0.08 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3lo3 h TYR 73 CO -0.11 0.81 -0.13 1.96 -1.64 0.00 0.00 178.16 179.06 3lo3 h GLN 74 N 0.07 0.37 0.00 1.82 1.08 -1.08 0.23 115.11 117.61 3lo3 h GLN 74 Ca -0.02 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3lo3 h GLN 74 Cb 1.32 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3lo3 h GLN 74 CO 0.11 0.51 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 3lo3 n ALA 75 N -2.48 2.11 -0.03 3.87 0.00 -0.90 -2.66 120.51 120.42 3lo3 n ALA 75 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.39 3lo3 n ALA 75 Cb 0.30 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.98 0.00 -0.31 0.00 4.77 0.07 -4.53 117.00 116.02 3lo3 n LEU 76 Ca 0.12 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 3lo3 n LEU 76 Cb 0.05 0.12 0.21 0.00 -2.33 0.00 0.00 43.42 41.47 3lo3 n LEU 76 CO 0.09 0.12 1.15 0.40 -1.33 0.00 0.00 177.39 177.81 3lo3 h ILE 77 N 0.00 0.84 0.00 -0.08 2.04 -1.50 0.11 117.51 118.91 3lo3 h ILE 77 Ca -0.13 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3lo3 h ILE 77 Cb 1.20 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3lo3 h ILE 77 CO 0.01 0.14 -0.49 0.28 0.00 0.00 0.00 178.15 178.09 3lo3 h SER 78 N 0.77 -1.51 -0.39 1.72 0.02 -1.80 0.77 113.55 113.13 3lo3 h SER 78 Ca 0.45 0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 61.42 3lo3 h SER 78 Cb 0.51 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3lo3 h SER 78 CO -0.30 -0.48 -0.34 0.71 -1.14 0.00 0.00 176.83 175.28 3lo3 h THR 79 N -0.62 1.27 -0.68 -2.27 1.35 -1.75 -2.90 112.91 107.32 3lo3 h THR 79 Ca 0.01 -1.51 0.15 0.00 -0.55 0.00 0.00 66.41 64.51 3lo3 h THR 79 Cb 0.66 1.36 -0.11 0.00 -1.73 0.00 0.00 68.15 68.33 3lo3 h THR 79 CO -0.33 0.51 0.04 -0.09 -0.25 0.00 0.00 175.52 175.40 3lo3 h ARG 80 N 0.73 0.14 0.00 4.72 1.12 -0.30 0.39 114.38 121.19 3lo3 h ARG 80 Ca 0.07 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.82 3lo3 h ARG 80 Cb 0.93 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 3lo3 h ARG 80 CO 0.09 0.09 -0.52 -0.44 -3.11 0.00 0.00 179.97 176.08 3lo3 h ASP 81 N 0.15 0.00 -0.48 -3.80 3.32 -0.79 -2.51 116.42 112.30 3lo3 h ASP 81 Ca 0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3lo3 h ASP 81 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3lo3 h ASP 81 CO -0.56 0.52 0.25 -0.07 -1.72 0.00 0.00 179.24 177.66 3lo3 h LEU 82 N 0.00 0.62 0.00 1.55 3.38 -0.85 -3.39 115.31 116.62 3lo3 h LEU 82 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3lo3 h LEU 82 Cb 1.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3lo3 h LEU 82 CO 0.07 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3lo3 n GLY 83 N -0.96 -0.84 3.37 0.83 0.00 -0.06 -3.92 105.19 103.61 3lo3 n GLY 83 Ca 0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.51 4.32 0.18 1.61 -0.00 -1.04 0.53 116.67 119.76 3lo3 s ASP 85 Ca 0.18 -0.32 -0.03 0.00 -0.00 0.00 0.00 52.55 52.38 3lo3 s ASP 85 Cb 0.12 -1.71 -0.03 0.00 -0.00 0.00 0.00 42.92 41.29 3lo3 s ASP 85 CO 0.26 0.07 0.16 -0.94 -0.00 0.00 0.00 175.17 174.73 3lo3 s SER 86 N 0.92 0.15 -0.08 0.27 1.04 -1.26 -1.13 113.70 113.61 3lo3 s SER 86 Ca -0.01 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.19 3lo3 s SER 86 Cb -0.15 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.38 3lo3 s SER 86 CO 0.01 -0.85 -0.11 0.00 0.98 0.00 0.00 173.24 173.27 3lo3 s GLN 87 N -4.10 1.65 -0.26 4.02 -2.07 0.06 -4.96 119.66 114.01 3lo3 s GLN 87 Ca 0.31 -0.37 -0.05 0.00 -1.82 0.00 0.00 55.36 53.43 3lo3 s GLN 87 Cb 0.06 -1.46 0.00 0.00 -1.09 0.00 0.00 33.01 30.53 3lo3 s GLN 87 CO 0.08 -0.05 0.01 -0.06 -1.32 0.00 0.00 175.29 173.95 3lo3 s PHE 88 N 0.94 3.07 -0.18 9.60 2.99 -1.26 -1.72 117.98 131.42 3lo3 s PHE 88 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 56.93 55.75 3lo3 s PHE 88 Cb -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 43.02 40.68 3lo3 s PHE 88 CO 0.00 -0.58 0.00 -0.65 -0.00 0.00 0.00 175.22 174.00 3lo3 s GLN 89 N 1.47 3.74 -0.33 0.44 1.11 -0.91 -4.97 119.66 120.21 3lo3 s GLN 89 Ca 0.03 -0.47 -0.17 0.00 0.01 0.00 0.00 55.36 54.77 3lo3 s GLN 89 Cb -0.16 -3.06 -0.01 0.00 -1.01 0.00 0.00 33.01 28.77 3lo3 s GLN 89 CO -0.01 0.18 0.46 -1.17 0.01 0.00 0.00 175.29 174.76 3lo3 s LEU 90 N 0.57 4.31 -0.08 2.90 0.20 -1.26 -1.70 118.68 123.62 3lo3 s LEU 90 Ca -0.00 -0.00 0.01 0.00 0.69 0.00 0.00 54.13 54.82 3lo3 s LEU 90 Cb -0.14 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.09 3lo3 s LEU 90 CO 0.02 -0.39 -0.09 -0.63 -0.29 0.00 0.00 176.35 174.97 3lo3 s ILE 91 N 2.25 3.51 0.00 6.68 1.01 0.01 -5.02 121.20 129.65 3lo3 s ILE 91 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3lo3 s ILE 91 Cb -0.16 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.87 3lo3 s ILE 91 CO 0.12 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.25