#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 5.30 -1.25 6.43 4.22 -1.26 -5.03 114.94 123.35 3lo3 s ASN 0 Ca 0.00 -0.42 -0.12 0.00 -2.14 0.00 0.00 52.86 50.18 3lo3 s ASN 0 Cb 0.00 -1.13 0.16 0.00 1.28 0.00 0.00 41.25 41.56 3lo3 s ASN 0 CO 0.00 -0.19 1.64 0.00 -2.04 0.00 0.00 177.10 176.51 3lo3 n ALA 1 N -1.25 4.48 -1.66 3.54 0.00 -1.26 -4.99 120.51 119.37 3lo3 n ALA 1 Ca -0.05 -4.25 -0.43 0.00 0.00 0.00 0.00 53.44 48.71 3lo3 n ALA 1 Cb 0.59 -3.06 -0.01 0.00 0.00 0.00 0.00 19.45 16.97 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 4.19 2.03 -4.47 0.00 -1.04 -1.24 -4.11 114.28 109.63 3lo3 n THR 2 Ca 0.39 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.64 3lo3 n THR 2 Cb 0.40 -1.38 -0.10 0.00 -1.82 0.00 0.00 70.33 67.43 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 -1.09 3.12 -0.07 2.41 0.00 -0.19 -4.84 121.76 121.11 3lo3 s ALA 3 Ca 0.57 -2.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 3lo3 s ALA 3 Cb -0.61 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.41 3lo3 s ALA 3 CO 0.61 0.02 0.24 0.71 0.00 0.00 0.00 175.76 177.35 3lo3 s TYR 4 N -2.60 -0.21 -0.12 0.00 2.02 -0.40 -1.71 117.35 114.32 3lo3 s TYR 4 Ca 0.34 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 3lo3 s TYR 4 Cb 0.03 0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.65 3lo3 s TYR 4 CO 0.18 -0.20 -0.14 0.42 -1.57 0.00 0.00 175.55 174.24 3lo3 s ILE 5 N -0.34 2.95 -0.15 2.71 1.01 -0.42 -1.19 121.20 125.77 3lo3 s ILE 5 Ca -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3lo3 s ILE 5 Cb -0.03 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3lo3 s ILE 5 CO 0.01 0.53 -0.07 0.27 0.00 0.00 0.00 174.94 175.68 3lo3 s ILE 6 N 0.30 3.55 -0.11 2.92 -4.36 -0.43 -0.74 121.20 122.33 3lo3 s ILE 6 Ca -0.11 -0.48 -0.01 0.00 -0.26 0.00 0.00 60.65 59.79 3lo3 s ILE 6 Cb -0.16 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 3lo3 s ILE 6 CO 0.06 0.50 -0.06 0.54 0.24 0.00 0.00 174.94 176.22 3lo3 s VAL 7 N 0.45 3.78 -0.14 8.37 0.11 -0.63 -0.86 120.40 131.48 3lo3 s VAL 7 Ca -0.06 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.51 3lo3 s VAL 7 Cb -0.15 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 3lo3 s VAL 7 CO 0.04 0.55 0.05 -0.83 -3.33 0.00 0.00 175.10 171.57 3lo3 s GLY 8 N -0.26 1.91 0.04 6.54 0.00 0.31 -2.14 107.32 113.72 3lo3 s GLY 8 Ca 0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 3lo3 s GLY 8 CO 0.02 -0.21 0.11 0.48 0.00 0.00 0.00 173.10 173.51 3lo3 s LEU 9 N -0.22 1.74 -0.18 0.66 -0.00 0.13 -0.19 118.68 120.62 3lo3 s LEU 9 Ca 0.07 -0.50 -0.01 0.00 -0.00 0.00 0.00 54.13 53.69 3lo3 s LEU 9 Cb -0.12 0.65 0.05 0.00 -0.00 0.00 0.00 46.19 46.77 3lo3 s LEU 9 CO 0.02 -0.51 -0.01 -0.89 -0.00 0.00 0.00 176.35 174.96 3lo3 s THR 10 N -2.55 0.85 0.36 5.48 2.01 0.22 -0.67 115.64 121.33 3lo3 s THR 10 Ca -0.05 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 3lo3 s THR 10 Cb -0.01 -1.19 -0.12 0.00 0.01 0.00 0.00 72.50 71.19 3lo3 s THR 10 CO -0.04 -0.05 1.04 -2.65 -0.69 0.00 0.00 174.62 172.23 3lo3 n PRO 11 N 4.94 1.46 0.01 4.92 -0.02 -1.26 -1.48 135.00 143.56 3lo3 n PRO 11 Ca -0.10 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3lo3 n PRO 11 Cb 0.47 -2.00 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.42 0.01 -4.04 -0.52 5.02 0.10 -4.79 118.16 114.37 3lo3 n LYS 12 Ca 0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 3lo3 n LYS 12 Cb 0.36 -0.14 -0.15 0.00 -0.02 0.00 0.00 35.03 35.07 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 -5.05 4.05 0.44 4.39 -1.08 -0.69 -5.01 116.67 113.72 3lo3 s ASP 13 Ca -0.01 -1.21 0.11 0.00 -0.52 0.00 0.00 52.55 50.92 3lo3 s ASP 13 Cb 0.00 -1.43 0.99 0.00 -1.46 0.00 0.00 42.92 41.02 3lo3 s ASP 13 CO 0.01 -0.17 2.07 0.00 0.52 0.00 0.00 175.17 177.59 3lo3 h ALA 14 N 7.85 1.84 0.03 3.66 0.00 -1.93 -0.34 119.26 130.38 3lo3 h ALA 14 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3lo3 h ALA 14 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3lo3 h ALA 14 CO 0.47 0.12 -0.01 0.93 0.00 0.00 0.00 179.25 180.76 3lo3 h GLU 15 N 0.39 -0.04 -0.21 0.00 5.08 -1.95 -2.29 114.58 115.56 3lo3 h GLU 15 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3lo3 h GLU 15 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3lo3 h GLU 15 CO -0.03 0.47 -0.09 0.87 -1.00 0.00 0.00 179.01 179.24 3lo3 h LYS 16 N -0.57 0.33 0.01 2.33 1.79 -1.83 -1.84 116.57 116.77 3lo3 h LYS 16 Ca -0.00 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3lo3 h LYS 16 Cb 0.53 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3lo3 h LYS 16 CO 0.01 0.43 -0.00 1.25 -1.08 0.00 0.00 179.45 180.05 3lo3 h LEU 17 N 0.31 -0.01 -1.30 2.94 6.46 -0.98 0.17 115.31 122.90 3lo3 h LEU 17 Ca 0.07 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 3lo3 h LEU 17 Cb 0.35 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 3lo3 h LEU 17 CO 0.02 0.06 -0.34 -0.61 -0.62 0.00 0.00 178.44 176.95 3lo3 h GLN 18 N -0.07 0.00 0.57 1.25 4.15 -1.30 -0.52 115.11 119.19 3lo3 h GLN 18 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3lo3 h GLN 18 Cb 0.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.77 3lo3 h GLN 18 CO 0.00 0.34 -0.28 0.37 -1.93 0.00 0.00 178.83 177.34 3lo3 h GLN 19 N 0.00 -0.74 0.04 1.69 4.15 -0.49 -0.77 115.11 119.00 3lo3 h GLN 19 Ca -0.00 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.49 3lo3 h GLN 19 Cb 0.65 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.46 3lo3 h GLN 19 CO 0.04 -0.43 -0.43 -0.92 -1.93 0.00 0.00 178.83 175.16 3lo3 h TYR 20 N -1.00 -1.22 -0.94 3.99 3.20 -0.59 -3.07 116.97 117.34 3lo3 h TYR 20 Ca -0.08 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.91 3lo3 h TYR 20 Cb 0.65 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 3lo3 h TYR 20 CO 0.00 -0.51 0.59 0.78 -1.64 0.00 0.00 178.16 177.37 3lo3 h GLY 21 N -0.61 1.47 2.00 1.82 0.00 -1.02 -0.17 103.07 106.55 3lo3 h GLY 21 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3lo3 h GLY 21 CO -0.29 0.23 -0.00 0.00 0.00 0.00 0.00 176.54 176.47 3lo3 h ALA 22 N 1.47 1.01 0.00 3.60 0.00 -1.04 -3.10 119.26 121.20 3lo3 h ALA 22 Ca 0.43 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3lo3 h ALA 22 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3lo3 h ALA 22 CO -0.21 0.01 -1.85 0.54 0.00 0.00 0.00 179.25 177.73 3lo3 n ARG 23 N -3.11 0.67 -0.23 0.00 1.74 -0.14 -4.70 116.66 110.89 3lo3 n ARG 23 Ca -0.01 -0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 56.88 3lo3 n ARG 23 Cb 0.18 -1.42 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.14 -0.84 1.55 2.07 -1.30 -3.25 116.25 115.62 3lo3 h VAL 24 Ca -0.08 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.25 3lo3 h VAL 24 Cb 1.01 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 3lo3 h VAL 24 CO 0.00 0.16 0.48 0.00 0.02 0.00 0.00 177.57 178.23 3lo3 h ALA 25 N 1.25 1.20 0.00 1.67 0.00 -1.84 -1.01 119.26 120.54 3lo3 h ALA 25 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3lo3 h ALA 25 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3lo3 h ALA 25 CO -0.07 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.93 3lo3 h SER 26 N 0.79 0.00 1.01 0.00 4.64 -1.90 -1.96 113.55 116.12 3lo3 h SER 26 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3lo3 h SER 26 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3lo3 h SER 26 CO -0.26 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.05 3lo3 n THR 27 N -2.95 0.20 -0.05 2.95 -2.24 -0.39 -3.58 114.28 108.23 3lo3 n THR 27 Ca 0.02 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 3lo3 n THR 27 Cb 0.37 -0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 67.90 3lo3 n THR 27 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3lo3 h LEU 28 N 0.00 0.03 -0.56 3.22 3.38 -1.36 -3.40 115.31 116.63 3lo3 h LEU 28 Ca 0.00 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.14 3lo3 h LEU 28 Cb 0.50 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3lo3 h LEU 28 CO 0.00 0.92 -0.30 0.00 0.09 0.00 0.00 178.44 179.15 3lo3 n ALA 29 N -2.56 -0.29 0.28 1.53 0.00 -1.24 0.71 120.51 118.94 3lo3 n ALA 29 Ca -0.10 0.49 0.18 0.00 0.00 0.00 0.00 53.44 54.01 3lo3 n ALA 29 Cb 0.45 -0.12 0.95 0.00 0.00 0.00 0.00 19.45 20.74 3lo3 n ALA 29 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3lo3 h LYS 30 N 0.00 0.00 -0.51 0.00 3.64 -1.80 0.17 116.57 118.07 3lo3 h LYS 30 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3lo3 h LYS 30 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3lo3 h LYS 30 CO -0.53 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.31 3lo3 n TYR 31 N -3.54 0.68 -3.79 1.91 4.01 0.22 -4.94 117.16 111.72 3lo3 n TYR 31 Ca -0.01 -0.44 -0.29 0.00 -0.16 0.00 0.00 57.90 56.99 3lo3 n TYR 31 Cb 0.20 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.17 -3.85 -4.83 7.72 7.64 0.60 -4.62 113.62 117.44 3lo3 n SER 32 Ca 0.18 -0.69 -0.32 0.00 1.01 0.00 0.00 58.87 59.05 3lo3 n SER 32 Cb 0.53 -3.14 -0.03 0.00 -1.01 0.00 0.00 64.21 60.56 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 -3.04 2.08 -0.22 0.23 0.00 -1.12 -4.44 107.32 100.82 3lo3 s GLY 33 Ca 0.58 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 45.36 3lo3 s GLY 33 CO 0.72 0.51 0.57 1.85 0.00 0.00 0.00 173.10 176.75 3lo3 s GLU 34 N -4.05 0.62 -0.33 2.90 2.12 -1.03 -4.56 118.70 114.37 3lo3 s GLU 34 Ca 0.60 0.91 -0.26 0.00 0.36 0.00 0.00 54.97 56.58 3lo3 s GLU 34 Cb -0.11 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.49 3lo3 s GLU 34 CO 0.32 -0.12 0.94 0.08 -0.54 0.00 0.00 175.26 175.94 3lo3 s VAL 35 N 0.89 4.62 -0.05 3.70 1.01 -1.26 -0.23 120.40 129.09 3lo3 s VAL 35 Ca -0.05 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 3lo3 s VAL 35 Cb -0.05 -4.30 -0.28 0.00 0.00 0.00 0.00 36.38 31.74 3lo3 s VAL 35 CO -0.08 -0.42 0.67 0.25 0.00 0.00 0.00 175.10 175.52 3lo3 h LEU 36 N 9.88 0.44 -7.36 3.92 5.85 0.76 -3.48 115.31 125.32 3lo3 h LEU 36 Ca -0.22 -0.71 -0.11 0.00 0.84 0.00 0.00 57.88 57.67 3lo3 h LEU 36 Cb 1.08 -0.14 -0.22 0.00 0.37 0.00 0.00 40.66 41.75 3lo3 h LEU 36 CO 0.97 1.61 -0.19 -0.69 -0.34 0.00 0.00 178.44 179.80 3lo3 s VAL 37 N -2.59 0.03 -0.12 1.05 1.01 -1.12 -4.94 120.40 113.71 3lo3 s VAL 37 Ca -0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3lo3 s VAL 37 Cb 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3lo3 s VAL 37 CO 0.83 -0.12 0.28 -1.59 0.00 0.00 0.00 175.10 174.50 3lo3 s LYS 38 N -0.64 0.25 -0.25 2.72 -2.85 -1.26 -0.15 119.74 117.56 3lo3 s LYS 38 Ca -0.07 0.57 -0.33 0.00 -1.00 0.00 0.00 55.97 55.13 3lo3 s LYS 38 Cb -0.04 -0.08 0.16 0.00 -2.06 0.00 0.00 37.83 35.81 3lo3 s LYS 38 CO 0.03 -0.15 1.28 0.20 0.10 0.00 0.00 175.35 176.81 3lo3 s GLY 39 N 1.20 -0.11 0.60 0.59 0.00 -0.75 -5.02 107.32 103.84 3lo3 s GLY 39 Ca -0.09 2.23 -0.17 0.00 0.00 0.00 0.00 44.72 46.69 3lo3 s GLY 39 CO -0.09 0.85 1.11 -0.56 0.00 0.00 0.00 173.10 174.41 3lo3 s SER 40 N -1.54 5.48 -0.20 1.64 0.01 -1.26 -1.67 113.70 116.16 3lo3 s SER 40 Ca 0.08 2.04 -0.14 0.00 1.31 0.00 0.00 55.95 59.24 3lo3 s SER 40 Cb -0.01 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3lo3 s SER 40 CO -0.05 -1.38 0.31 -0.69 0.41 0.00 0.00 173.24 171.85 3lo3 s VAL 41 N -2.13 5.27 -0.21 3.43 1.01 -0.68 -4.90 120.40 122.19 3lo3 s VAL 41 Ca 0.69 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 3lo3 s VAL 41 Cb -0.21 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3lo3 s VAL 41 CO 0.34 0.31 0.04 -0.70 0.00 0.00 0.00 175.10 175.10 3lo3 s GLU 42 N 1.04 3.75 0.05 2.72 2.12 -1.26 -4.98 118.70 122.14 3lo3 s GLU 42 Ca 0.16 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 3lo3 s GLU 42 Cb -0.14 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 3lo3 s GLU 42 CO 0.06 0.04 1.14 -0.65 -0.54 0.00 0.00 175.26 175.31 3lo3 s GLN 43 N 0.98 4.47 -0.18 4.30 -1.52 -1.26 -4.95 119.66 121.51 3lo3 s GLN 43 Ca 0.03 1.68 0.17 0.00 -1.95 0.00 0.00 55.36 55.29 3lo3 s GLN 43 Cb -0.14 -3.37 -0.24 0.00 -0.22 0.00 0.00 33.01 29.04 3lo3 s GLN 43 CO 0.02 -0.18 0.09 1.28 -0.25 0.00 0.00 175.29 176.25 3lo3 n LEU 44 N 3.81 0.00 -3.58 2.90 4.77 -1.26 -5.01 117.00 118.64 3lo3 n LEU 44 Ca 0.08 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3lo3 n LEU 44 Cb 0.47 0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.94 3lo3 n LEU 44 CO 0.55 0.44 0.52 -2.28 -1.33 0.00 0.00 177.39 175.29 3lo3 s HIS 45 N -2.51 -0.63 0.08 -1.77 5.04 -1.26 -5.16 115.29 109.08 3lo3 s HIS 45 Ca -0.09 1.30 0.00 0.00 -1.54 0.00 0.00 55.06 54.73 3lo3 s HIS 45 Cb 0.06 0.37 0.00 0.00 0.04 0.00 0.00 32.58 33.05 3lo3 s HIS 45 CO 0.78 -0.46 0.00 0.41 -2.34 0.00 0.00 174.74 173.13 3lo3 n GLY 46 N 1.57 -2.10 3.50 1.59 0.00 -1.26 -4.87 105.19 103.62 3lo3 n GLY 46 Ca -0.15 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.15 2.87 -0.15 1.61 1.02 -1.26 -5.00 119.74 117.69 3lo3 s LYS 47 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.38 3lo3 s LYS 47 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3lo3 s LYS 47 CO 0.00 0.53 -0.16 0.12 -0.92 0.00 0.00 175.35 174.92 3lo3 s PHE 48 N -0.47 2.29 0.45 3.18 5.36 -1.26 -5.03 117.98 122.50 3lo3 s PHE 48 Ca 0.06 -1.25 0.21 0.00 -0.96 0.00 0.00 56.93 54.99 3lo3 s PHE 48 Cb -0.12 -1.64 1.27 0.00 -0.34 0.00 0.00 43.02 42.19 3lo3 s PHE 48 CO 0.02 -0.65 2.06 1.05 -1.46 0.00 0.00 175.22 176.23 3lo3 h GLU 49 N 7.84 0.00 -6.83 10.12 4.11 -2.01 -3.45 114.58 124.36 3lo3 h GLU 49 Ca -0.38 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.57 3lo3 h GLU 49 Cb 1.15 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.45 3lo3 h GLU 49 CO 0.54 0.14 -0.02 -1.01 0.07 0.00 0.00 179.01 178.73 3lo3 s HIS 50 N -4.47 1.48 -0.02 2.06 3.76 -1.26 -4.99 115.29 111.84 3lo3 s HIS 50 Ca -0.04 -0.55 0.14 0.00 -0.15 0.00 0.00 55.06 54.46 3lo3 s HIS 50 Cb 0.15 -2.52 -0.21 0.00 1.11 0.00 0.00 32.58 31.11 3lo3 s HIS 50 CO 0.64 -1.37 0.29 1.63 -0.85 0.00 0.00 174.74 175.07 3lo3 n LYS 51 N -2.47 0.46 -3.72 1.40 4.76 0.15 -4.95 118.16 113.80 3lo3 n LYS 51 Ca 0.15 -0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.37 3lo3 n LYS 51 Cb 0.61 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.43 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lo3 s ALA 52 N -2.92 -0.83 0.03 7.82 0.00 -0.19 -1.69 121.76 123.98 3lo3 s ALA 52 Ca -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3lo3 s ALA 52 Cb 0.08 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3lo3 s ALA 52 CO 0.56 -0.72 -0.06 -0.65 0.00 0.00 0.00 175.76 174.89 3lo3 s GLN 53 N -3.85 0.45 0.12 0.00 -0.21 -0.67 0.20 119.66 115.70 3lo3 s GLN 53 Ca 0.07 -0.56 0.08 0.00 0.02 0.00 0.00 55.36 54.97 3lo3 s GLN 53 Cb 0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.72 3lo3 s GLN 53 CO -0.07 0.05 -0.18 0.54 -2.12 0.00 0.00 175.29 173.51 3lo3 s VAL 54 N -1.00 1.60 -0.20 1.09 0.11 -0.91 -1.80 120.40 119.29 3lo3 s VAL 54 Ca -0.07 -1.62 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 3lo3 s VAL 54 Cb -0.07 -1.55 0.03 0.00 -1.53 0.00 0.00 36.38 33.25 3lo3 s VAL 54 CO 0.00 -0.20 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.77 3lo3 s ILE 55 N -1.53 2.13 -0.09 7.04 1.01 0.79 -1.60 121.20 128.96 3lo3 s ILE 55 Ca 0.08 -1.08 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 3lo3 s ILE 55 Cb -0.08 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3lo3 s ILE 55 CO 0.04 0.41 0.16 -0.76 0.00 0.00 0.00 174.94 174.79 3lo3 s LEU 56 N 1.25 4.39 -0.11 2.97 1.02 0.08 0.13 118.68 128.41 3lo3 s LEU 56 Ca 0.02 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.63 3lo3 s LEU 56 Cb -0.15 -2.24 0.02 0.00 0.02 0.00 0.00 46.19 43.84 3lo3 s LEU 56 CO -0.11 0.37 -0.12 -0.70 0.02 0.00 0.00 176.35 175.80 3lo3 s GLU 57 N -1.29 1.95 0.30 1.70 2.12 0.69 -1.30 118.70 122.86 3lo3 s GLU 57 Ca 0.19 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.17 3lo3 s GLU 57 Cb -0.12 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.44 3lo3 s GLU 57 CO 0.08 -0.15 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.45 3lo3 s PHE 58 N 1.25 2.25 0.02 5.30 0.08 -0.69 -2.47 117.98 123.71 3lo3 s PHE 58 Ca -0.02 -0.45 0.26 0.00 0.12 0.00 0.00 56.93 56.84 3lo3 s PHE 58 Cb -0.14 -1.13 0.91 0.00 -0.57 0.00 0.00 43.02 42.10 3lo3 s PHE 58 CO -0.05 0.60 1.82 -1.35 -0.10 0.00 0.00 175.22 176.14 3lo3 h PRO 59 N 2.21 0.00 -3.94 0.24 0.11 -1.82 -0.48 132.00 128.32 3lo3 h PRO 59 Ca -0.41 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3lo3 h PRO 59 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 3lo3 h PRO 59 CO 0.65 0.14 -0.44 -1.54 -0.21 0.00 0.00 178.00 176.60 3lo3 s SER 60 N -6.05 0.19 0.32 -2.05 1.04 -1.26 -3.73 113.70 102.15 3lo3 s SER 60 Ca 0.02 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.68 3lo3 s SER 60 Cb 0.09 0.33 0.58 0.00 0.10 0.00 0.00 66.02 67.12 3lo3 s SER 60 CO 0.62 -0.73 1.92 -0.09 0.98 0.00 0.00 173.24 175.94 3lo3 h ARG 61 N 2.80 0.93 -0.13 4.02 2.43 -1.77 -2.92 114.38 119.75 3lo3 h ARG 61 Ca -0.34 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.60 3lo3 h ARG 61 Cb 1.19 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3lo3 h ARG 61 CO 0.57 0.62 -0.64 1.05 -1.51 0.00 0.00 179.97 180.06 3lo3 h GLU 62 N 0.96 0.48 -0.41 0.20 4.11 -1.95 -0.68 114.58 117.29 3lo3 h GLU 62 Ca 0.38 -0.34 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 3lo3 h GLU 62 Cb 0.23 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3lo3 h GLU 62 CO -0.14 0.96 0.17 -0.44 0.07 0.00 0.00 179.01 179.63 3lo3 h ASP 63 N 0.35 0.52 -0.03 3.06 3.32 -1.88 0.65 116.42 122.41 3lo3 h ASP 63 Ca -0.01 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3lo3 h ASP 63 Cb 1.20 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3lo3 h ASP 63 CO 0.11 0.47 -0.09 0.00 -1.72 0.00 0.00 179.24 178.01 3lo3 h ALA 64 N 1.61 0.05 -0.13 3.45 0.00 -1.14 -1.87 119.26 121.23 3lo3 h ALA 64 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3lo3 h ALA 64 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3lo3 h ALA 64 CO -0.02 -0.07 -0.21 -0.92 0.00 0.00 0.00 179.25 178.03 3lo3 h TYR 65 N -0.44 0.24 0.05 0.00 3.20 -1.00 -2.47 116.97 116.55 3lo3 h TYR 65 Ca -0.00 -0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.58 3lo3 h TYR 65 Cb 0.70 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.91 3lo3 h TYR 65 CO 0.13 0.43 -1.05 -0.91 -1.64 0.00 0.00 178.16 175.12 3lo3 h ASN 66 N 0.21 0.58 -0.14 -2.11 2.35 -0.87 -2.77 115.58 112.83 3lo3 h ASN 66 Ca 0.04 -0.51 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 3lo3 h ASN 66 Cb 0.50 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 3lo3 h ASN 66 CO 0.03 1.32 -0.39 -0.25 -1.65 0.00 0.00 177.43 176.50 3lo3 h TRP 67 N 0.21 -1.16 -0.15 1.19 7.01 -0.99 0.74 115.95 122.80 3lo3 h TRP 67 Ca -0.11 0.05 0.04 0.00 2.11 0.00 0.00 58.89 60.98 3lo3 h TRP 67 Cb 1.71 0.53 -0.01 0.00 -2.10 0.00 0.00 29.16 29.29 3lo3 h TRP 67 CO 0.07 -0.38 0.18 -0.92 -2.79 0.00 0.00 178.44 174.61 3lo3 h TYR 68 N -0.38 0.00 -0.14 2.65 3.20 -1.46 -1.22 116.97 119.61 3lo3 h TYR 68 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3lo3 h TYR 68 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3lo3 h TYR 68 CO -0.58 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 176.66 3lo3 n HIS 69 N -3.73 0.17 -1.51 -3.82 8.25 -0.91 -4.55 115.22 109.12 3lo3 n HIS 69 Ca 0.01 -0.10 -0.31 0.00 -0.26 0.00 0.00 57.72 57.06 3lo3 n HIS 69 Cb 0.29 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.47 5.13 0.13 0.41 1.04 0.21 -4.88 113.70 114.26 3lo3 s SER 70 Ca 0.26 1.62 -0.11 0.00 0.48 0.00 0.00 55.95 58.20 3lo3 s SER 70 Cb 0.17 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 3lo3 s SER 70 CO 0.25 -1.61 1.43 -0.33 0.98 0.00 0.00 173.24 173.96 3lo3 h GLU 71 N -0.83 0.90 -0.14 4.02 5.08 -1.89 0.20 114.58 121.92 3lo3 h GLU 71 Ca -0.44 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 57.34 3lo3 h GLU 71 Cb 1.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3lo3 h GLU 71 CO 0.56 1.18 -0.09 1.05 -1.00 0.00 0.00 179.01 180.71 3lo3 h GLU 72 N 0.70 0.20 0.16 2.33 9.09 -1.93 -1.78 114.58 123.35 3lo3 h GLU 72 Ca 0.03 -0.04 -0.35 0.00 0.05 0.00 0.00 59.36 59.04 3lo3 h GLU 72 Cb 1.11 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3lo3 h GLU 72 CO 0.11 0.31 -1.84 -0.92 0.05 0.00 0.00 179.01 176.72 3lo3 h TYR 73 N 0.20 0.61 -0.15 2.06 3.20 -1.78 -3.34 116.97 117.77 3lo3 h TYR 73 Ca 0.04 -0.44 0.04 0.00 3.14 0.00 0.00 58.73 61.51 3lo3 h TYR 73 Cb 0.29 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3lo3 h TYR 73 CO 0.00 1.72 0.14 1.96 -1.64 0.00 0.00 178.16 180.35 3lo3 h GLN 74 N 0.07 0.00 0.00 1.82 1.08 -0.77 0.00 115.11 117.31 3lo3 h GLN 74 Ca -0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 3lo3 h GLN 74 Cb 2.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 3lo3 h GLN 74 CO 0.13 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.01 3lo3 h ALA 75 N 1.86 1.00 -0.00 3.87 0.00 -1.44 -2.92 119.26 121.62 3lo3 h ALA 75 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3lo3 h ALA 75 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3lo3 h ALA 75 CO -0.00 0.00 -0.35 1.28 0.00 0.00 0.00 179.25 180.18 3lo3 n LEU 76 N -3.01 0.66 -0.07 0.00 4.77 -0.01 -4.48 117.00 114.86 3lo3 n LEU 76 Ca 0.00 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 3lo3 n LEU 76 Cb 0.27 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3lo3 n LEU 76 CO 0.26 0.14 0.57 0.40 -1.33 0.00 0.00 177.39 177.43 3lo3 h ILE 77 N 0.48 1.32 -0.58 -0.08 2.04 -1.56 0.70 117.51 119.83 3lo3 h ILE 77 Ca 0.00 -1.41 0.12 0.00 1.00 0.00 0.00 64.86 64.57 3lo3 h ILE 77 Cb 0.49 1.74 -0.10 0.00 -0.74 0.00 0.00 36.82 38.21 3lo3 h ILE 77 CO 0.00 0.44 -0.02 0.28 0.00 0.00 0.00 178.15 178.85 3lo3 h SER 78 N 0.23 -0.29 -0.09 1.72 0.02 -1.79 -0.88 113.55 112.47 3lo3 h SER 78 Ca 0.03 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3lo3 h SER 78 Cb 0.80 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3lo3 h SER 78 CO 0.06 -0.11 0.00 0.74 -1.14 0.00 0.00 176.83 176.38 3lo3 h THR 79 N 0.10 1.24 -0.96 -2.27 2.02 -1.81 -3.05 112.91 108.17 3lo3 h THR 79 Ca 0.30 -0.77 0.19 0.00 0.77 0.00 0.00 66.41 66.90 3lo3 h THR 79 Cb 0.48 1.58 -0.11 0.00 -1.74 0.00 0.00 68.15 68.36 3lo3 h THR 79 CO -0.51 0.22 0.56 -0.09 0.37 0.00 0.00 175.52 176.07 3lo3 h ARG 80 N -0.11 0.68 0.00 6.66 2.43 -0.10 -0.08 114.38 123.86 3lo3 h ARG 80 Ca 0.03 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3lo3 h ARG 80 Cb 0.34 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3lo3 h ARG 80 CO 0.00 0.45 -0.82 -0.44 -1.51 0.00 0.00 179.97 177.65 3lo3 h ASP 81 N 0.70 0.01 0.20 -3.80 3.45 -1.15 -2.55 116.42 113.27 3lo3 h ASP 81 Ca 0.56 -0.01 -0.20 0.00 0.43 0.00 0.00 57.03 57.82 3lo3 h ASP 81 Cb 0.88 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.65 3lo3 h ASP 81 CO -0.40 0.82 -0.76 -0.07 -1.57 0.00 0.00 179.24 177.27 3lo3 h LEU 82 N 0.00 0.57 -0.22 1.55 3.38 -1.19 -3.41 115.31 115.99 3lo3 h LEU 82 Ca -0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3lo3 h LEU 82 Cb 1.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3lo3 h LEU 82 CO 0.11 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.38 3lo3 n GLY 83 N 0.62 -1.40 3.69 0.83 0.00 -0.14 -3.48 105.19 105.32 3lo3 n GLY 83 Ca -0.05 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.87 5.11 0.04 1.61 1.11 -0.55 0.02 116.67 120.15 3lo3 s ASP 85 Ca 0.09 -0.07 -0.27 0.00 0.18 0.00 0.00 52.55 52.48 3lo3 s ASP 85 Cb 0.12 -1.30 0.09 0.00 1.07 0.00 0.00 42.92 42.90 3lo3 s ASP 85 CO 0.46 0.24 0.87 -0.94 1.18 0.00 0.00 175.17 176.97 3lo3 s SER 86 N -1.87 -0.36 -0.08 0.27 1.04 -1.26 -0.61 113.70 110.84 3lo3 s SER 86 Ca 0.22 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.61 3lo3 s SER 86 Cb -0.12 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3lo3 s SER 86 CO 0.14 -0.71 -0.17 0.00 0.98 0.00 0.00 173.24 173.47 3lo3 s GLN 87 N -3.23 2.21 -0.20 4.02 -2.07 0.73 -4.95 119.66 116.18 3lo3 s GLN 87 Ca 0.06 -0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 52.96 3lo3 s GLN 87 Cb -0.01 -1.75 -0.01 0.00 -1.09 0.00 0.00 33.01 30.14 3lo3 s GLN 87 CO -0.07 0.10 -0.05 -0.06 -1.32 0.00 0.00 175.29 173.89 3lo3 s PHE 88 N 0.50 2.95 -0.01 9.60 2.99 -1.26 -0.53 117.98 132.22 3lo3 s PHE 88 Ca -0.15 -0.79 0.07 0.00 0.00 0.00 0.00 56.93 56.06 3lo3 s PHE 88 Cb -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 43.02 40.77 3lo3 s PHE 88 CO 0.06 -0.43 -0.23 -0.65 -0.00 0.00 0.00 175.22 173.97 3lo3 s GLN 89 N 1.19 2.11 -0.16 0.44 1.11 -0.04 -4.98 119.66 119.33 3lo3 s GLN 89 Ca 0.02 -0.93 -0.03 0.00 0.01 0.00 0.00 55.36 54.43 3lo3 s GLN 89 Cb -0.14 -2.10 -0.02 0.00 -1.01 0.00 0.00 33.01 29.74 3lo3 s GLN 89 CO -0.01 0.56 -0.06 -1.17 0.01 0.00 0.00 175.29 174.62 3lo3 s LEU 90 N -0.83 3.08 -0.02 2.90 2.96 -1.26 -1.32 118.68 124.19 3lo3 s LEU 90 Ca 0.11 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3lo3 s LEU 90 Cb -0.10 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 3lo3 s LEU 90 CO 0.00 0.14 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.43 3lo3 s ILE 91 N 0.53 0.96 0.00 6.68 1.01 -0.33 -5.02 121.20 125.02 3lo3 s ILE 91 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3lo3 s ILE 91 Cb -0.15 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3lo3 s ILE 91 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.86