#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 5.62 -1.04 6.43 4.22 -1.26 -5.04 114.94 123.87 3lo3 s ASN 0 Ca 0.00 -0.44 -0.05 0.00 -2.14 0.00 0.00 52.86 50.22 3lo3 s ASN 0 Cb 0.00 -0.63 0.27 0.00 1.28 0.00 0.00 41.25 42.17 3lo3 s ASN 0 CO 0.00 -0.77 1.14 0.00 -2.04 0.00 0.00 177.10 175.43 3lo3 n ALA 1 N -1.85 4.41 -1.51 3.54 0.00 -1.26 -5.03 120.51 118.81 3lo3 n ALA 1 Ca 0.08 -4.70 -0.49 0.00 0.00 0.00 0.00 53.44 48.33 3lo3 n ALA 1 Cb 0.59 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 2.12 1.48 -4.38 0.00 -1.04 -1.26 -4.19 114.28 107.01 3lo3 n THR 2 Ca 0.24 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.64 3lo3 n THR 2 Cb 0.37 -0.48 -0.09 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.69 2.86 -0.09 2.41 0.00 0.02 -4.77 121.76 121.50 3lo3 s ALA 3 Ca 0.68 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3lo3 s ALA 3 Cb -0.89 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 21.77 3lo3 s ALA 3 CO 0.56 0.35 0.19 0.71 0.00 0.00 0.00 175.76 177.57 3lo3 s TYR 4 N -2.13 -0.25 -0.23 0.00 2.02 -0.49 -1.23 117.35 115.04 3lo3 s TYR 4 Ca 0.27 0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 57.53 3lo3 s TYR 4 Cb -0.07 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.33 3lo3 s TYR 4 CO 0.15 -0.25 0.23 0.42 -1.57 0.00 0.00 175.55 174.52 3lo3 s ILE 5 N 1.86 5.32 -0.17 2.71 1.01 -0.22 -2.09 121.20 129.61 3lo3 s ILE 5 Ca -0.03 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 3lo3 s ILE 5 Cb -0.12 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3lo3 s ILE 5 CO -0.07 0.32 0.02 -0.63 0.00 0.00 0.00 174.94 174.58 3lo3 s ILE 6 N 1.13 4.42 0.00 2.92 1.01 -0.13 -0.01 121.20 130.53 3lo3 s ILE 6 Ca 0.11 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.65 3lo3 s ILE 6 Cb -0.14 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3lo3 s ILE 6 CO 0.05 0.47 -0.20 0.54 0.00 0.00 0.00 174.94 175.81 3lo3 s VAL 7 N 0.36 1.59 -0.20 2.92 0.11 -0.47 -0.10 120.40 124.62 3lo3 s VAL 7 Ca 0.00 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 3lo3 s VAL 7 Cb -0.13 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3lo3 s VAL 7 CO 0.01 0.37 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.16 3lo3 s GLY 8 N -0.68 1.42 0.23 6.54 0.00 0.84 -1.88 107.32 113.80 3lo3 s GLY 8 Ca 0.08 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.53 3lo3 s GLY 8 CO -0.00 0.43 -0.11 0.48 0.00 0.00 0.00 173.10 173.90 3lo3 s LEU 9 N 1.27 2.51 -0.20 0.66 -0.00 0.49 0.23 118.68 123.65 3lo3 s LEU 9 Ca 0.01 -1.09 -0.04 0.00 -0.00 0.00 0.00 54.13 53.01 3lo3 s LEU 9 Cb -0.15 -0.63 0.08 0.00 -0.00 0.00 0.00 46.19 45.49 3lo3 s LEU 9 CO -0.10 -0.25 0.16 -0.89 -0.00 0.00 0.00 176.35 175.27 3lo3 s THR 10 N -3.02 -0.21 0.48 5.48 2.01 0.20 -1.21 115.64 119.37 3lo3 s THR 10 Ca 0.25 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 3lo3 s THR 10 Cb 0.01 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.78 3lo3 s THR 10 CO 0.08 -0.27 1.08 -2.65 -0.69 0.00 0.00 174.62 172.17 3lo3 n PRO 11 N 5.30 1.39 0.00 4.92 -0.02 -1.26 -1.33 135.00 143.99 3lo3 n PRO 11 Ca -0.06 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3lo3 n PRO 11 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -0.24 0.00 -2.81 -0.52 5.02 0.00 -4.79 118.16 114.82 3lo3 n LYS 12 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3lo3 n LYS 12 Cb 0.42 0.00 -0.04 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 0.91 6.53 0.41 4.39 -1.08 -1.17 -4.92 116.67 121.73 3lo3 s ASP 13 Ca 0.00 0.21 0.13 0.00 -0.52 0.00 0.00 52.55 52.37 3lo3 s ASP 13 Cb 0.00 -2.46 0.85 0.00 -1.46 0.00 0.00 42.92 39.86 3lo3 s ASP 13 CO 0.00 -1.03 1.91 0.00 0.52 0.00 0.00 175.17 176.57 3lo3 h ALA 14 N 8.99 1.54 0.22 3.66 0.00 -1.92 -0.28 119.26 131.48 3lo3 h ALA 14 Ca -0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3lo3 h ALA 14 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3lo3 h ALA 14 CO 1.02 0.34 -0.11 1.49 0.00 0.00 0.00 179.25 182.00 3lo3 h GLU 15 N 0.03 -0.28 -0.67 0.00 4.81 -1.95 -1.87 114.58 114.65 3lo3 h GLU 15 Ca 0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3lo3 h GLU 15 Cb 0.47 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3lo3 h GLU 15 CO 0.03 0.08 0.32 0.87 -0.73 0.00 0.00 179.01 179.58 3lo3 h LYS 16 N -0.72 0.54 -0.77 1.92 1.79 -1.87 -1.84 116.57 115.62 3lo3 h LYS 16 Ca -0.03 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.52 3lo3 h LYS 16 Cb 0.49 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 3lo3 h LYS 16 CO 0.05 0.36 0.51 1.25 -1.08 0.00 0.00 179.45 180.54 3lo3 h LEU 17 N 0.56 0.57 -0.12 2.94 6.46 -0.98 -0.78 115.31 123.95 3lo3 h LEU 17 Ca 0.33 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.07 3lo3 h LEU 17 Cb 0.34 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3lo3 h LEU 17 CO -0.26 0.32 -0.07 -0.61 -0.62 0.00 0.00 178.44 177.20 3lo3 h GLN 18 N 0.62 0.26 -0.10 1.25 4.15 -0.54 -2.19 115.11 118.57 3lo3 h GLN 18 Ca 0.37 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.70 3lo3 h GLN 18 Cb 0.58 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3lo3 h GLN 18 CO -0.14 0.62 -0.11 1.96 -1.93 0.00 0.00 178.83 179.23 3lo3 h GLN 19 N -0.11 -0.14 0.49 1.69 4.20 -0.59 -1.69 115.11 118.95 3lo3 h GLN 19 Ca 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3lo3 h GLN 19 Cb 0.56 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3lo3 h GLN 19 CO 0.02 -0.09 -0.49 -0.92 -0.67 0.00 0.00 178.83 176.68 3lo3 h TYR 20 N -0.15 -1.35 -1.01 2.96 3.20 -1.25 -2.59 116.97 116.78 3lo3 h TYR 20 Ca 0.07 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.19 3lo3 h TYR 20 Cb 0.25 0.53 -0.10 0.00 1.54 0.00 0.00 36.73 38.95 3lo3 h TYR 20 CO -0.22 -0.66 0.63 0.78 -1.64 0.00 0.00 178.16 177.06 3lo3 h GLY 21 N -0.98 1.46 2.00 1.82 0.00 -1.27 0.63 103.07 106.74 3lo3 h GLY 21 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3lo3 h GLY 21 CO -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.34 3lo3 h ALA 22 N 1.65 1.00 0.00 3.60 0.00 -0.90 -3.18 119.26 121.42 3lo3 h ALA 22 Ca 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 3lo3 h ALA 22 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3lo3 h ALA 22 CO -0.35 0.00 -1.63 0.54 0.00 0.00 0.00 179.25 177.82 3lo3 n ARG 23 N -2.77 0.67 0.00 0.00 1.74 0.17 -4.75 116.66 111.73 3lo3 n ARG 23 Ca 0.01 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3lo3 n ARG 23 Cb 0.26 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.03 -0.94 1.55 2.07 -1.42 -2.89 116.25 115.65 3lo3 h VAL 24 Ca -0.06 -0.06 0.29 0.00 0.82 0.00 0.00 66.70 67.69 3lo3 h VAL 24 Cb 0.78 0.92 -0.16 0.00 -1.52 0.00 0.00 31.29 31.32 3lo3 h VAL 24 CO 0.00 0.03 0.30 0.00 0.02 0.00 0.00 177.57 177.92 3lo3 h ALA 25 N 1.02 1.52 -0.68 1.67 0.00 -1.86 0.12 119.26 121.05 3lo3 h ALA 25 Ca 0.03 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3lo3 h ALA 25 Cb -0.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3lo3 h ALA 25 CO -0.01 -0.59 0.26 0.66 0.00 0.00 0.00 179.25 179.58 3lo3 h SER 26 N 0.16 0.93 1.04 0.00 4.64 -1.85 -2.06 113.55 116.41 3lo3 h SER 26 Ca 0.64 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3lo3 h SER 26 Cb 1.42 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3lo3 h SER 26 CO -0.72 0.84 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 3lo3 n THR 27 N -4.29 0.65 0.14 2.95 -2.24 0.40 -2.63 114.28 109.26 3lo3 n THR 27 Ca 0.06 -0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3lo3 n THR 27 Cb 0.18 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.00 0.19 3.22 4.07 -1.17 -3.39 115.31 118.23 3lo3 h LEU 28 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 3lo3 h LEU 28 Cb 0.52 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 3lo3 h LEU 28 CO 0.00 0.53 -0.45 0.00 -1.08 0.00 0.00 178.44 177.44 3lo3 h ALA 29 N 1.47 -0.85 0.00 1.53 0.00 -1.53 -2.54 119.26 117.34 3lo3 h ALA 29 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3lo3 h ALA 29 Cb 1.40 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.92 3lo3 h ALA 29 CO 0.07 -1.04 0.00 0.36 0.00 0.00 0.00 179.25 178.64 3lo3 n LYS 30 N -5.49 0.13 -0.10 0.00 2.85 -1.26 -0.81 118.16 113.48 3lo3 n LYS 30 Ca -0.08 0.17 0.08 0.00 -1.05 0.00 0.00 58.31 57.43 3lo3 n LYS 30 Cb 0.40 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.41 3lo3 n LYS 30 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3lo3 n TYR 31 N -1.39 0.26 -3.86 5.58 4.01 -1.03 -4.97 117.16 115.75 3lo3 n TYR 31 Ca 0.06 -0.18 -0.25 0.00 -0.16 0.00 0.00 57.90 57.36 3lo3 n TYR 31 Cb 0.16 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.97 -1.64 -4.69 7.72 7.64 0.01 -4.64 113.62 118.99 3lo3 n SER 32 Ca 0.13 -0.89 -0.31 0.00 1.01 0.00 0.00 58.87 58.80 3lo3 n SER 32 Cb 0.45 -3.59 -0.08 0.00 -1.01 0.00 0.00 64.21 59.98 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 -4.11 1.91 0.05 0.23 0.00 -0.98 -4.15 107.32 100.26 3lo3 s GLY 33 Ca 0.17 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 3lo3 s GLY 33 CO 0.85 -0.95 0.02 -1.83 0.00 0.00 0.00 173.10 171.18 3lo3 s GLU 34 N -1.94 0.63 -0.45 2.90 -1.05 -0.12 -4.62 118.70 114.04 3lo3 s GLU 34 Ca 0.23 -1.10 -0.25 0.00 -0.15 0.00 0.00 54.97 53.70 3lo3 s GLU 34 Cb -0.12 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 3lo3 s GLU 34 CO 0.15 -0.13 0.88 0.08 0.95 0.00 0.00 175.26 177.18 3lo3 s VAL 35 N -3.65 4.54 -0.12 1.83 1.01 -1.26 -0.18 120.40 122.57 3lo3 s VAL 35 Ca 0.04 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 3lo3 s VAL 35 Cb 0.06 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.79 3lo3 s VAL 35 CO -0.09 -0.77 0.85 0.25 0.00 0.00 0.00 175.10 175.34 3lo3 h LEU 36 N 10.39 0.02 -7.80 3.92 5.85 -0.99 -3.48 115.31 123.22 3lo3 h LEU 36 Ca -0.24 -0.92 -0.12 0.00 0.84 0.00 0.00 57.88 57.43 3lo3 h LEU 36 Cb 1.08 -0.01 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 3lo3 h LEU 36 CO 1.00 0.94 -0.45 0.54 -0.34 0.00 0.00 178.44 180.13 3lo3 s VAL 37 N -2.53 0.11 -0.26 1.05 0.11 -1.19 -5.00 120.40 112.69 3lo3 s VAL 37 Ca -0.18 -0.94 -0.21 0.00 -2.93 0.00 0.00 61.98 57.72 3lo3 s VAL 37 Cb -0.02 -0.84 0.07 0.00 -1.53 0.00 0.00 36.38 34.05 3lo3 s VAL 37 CO 0.69 -0.52 0.67 -1.59 -3.33 0.00 0.00 175.10 171.02 3lo3 s LYS 38 N -2.43 0.75 -0.17 1.54 -2.85 -1.26 -0.72 119.74 114.60 3lo3 s LYS 38 Ca -0.06 1.03 -0.35 0.00 -1.00 0.00 0.00 55.97 55.59 3lo3 s LYS 38 Cb -0.02 0.29 0.14 0.00 -2.06 0.00 0.00 37.83 36.19 3lo3 s LYS 38 CO -0.03 -0.11 1.33 0.20 0.10 0.00 0.00 175.35 176.83 3lo3 s GLY 39 N 0.81 -0.33 0.85 0.59 0.00 -0.45 -5.01 107.32 103.78 3lo3 s GLY 39 Ca -0.04 1.38 -0.12 0.00 0.00 0.00 0.00 44.72 45.94 3lo3 s GLY 39 CO -0.06 0.41 1.18 -0.56 0.00 0.00 0.00 173.10 174.06 3lo3 s SER 40 N -2.47 3.35 -0.11 1.64 0.01 -1.26 -1.41 113.70 113.45 3lo3 s SER 40 Ca 0.12 2.29 -0.00 0.00 1.31 0.00 0.00 55.95 59.67 3lo3 s SER 40 Cb 0.02 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 3lo3 s SER 40 CO -0.04 -2.83 -0.09 -0.69 0.41 0.00 0.00 173.24 170.00 3lo3 s VAL 41 N -2.36 3.48 -0.23 3.43 1.01 -0.76 -4.82 120.40 120.16 3lo3 s VAL 41 Ca 0.70 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 3lo3 s VAL 41 Cb -0.26 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.69 3lo3 s VAL 41 CO 0.53 0.55 -0.10 -0.70 0.00 0.00 0.00 175.10 175.38 3lo3 s GLU 42 N -0.16 2.82 0.44 2.72 2.12 -1.26 -4.98 118.70 120.40 3lo3 s GLU 42 Ca 0.01 -0.97 -0.26 0.00 0.36 0.00 0.00 54.97 54.11 3lo3 s GLU 42 Cb -0.13 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.31 3lo3 s GLU 42 CO 0.03 -0.36 1.43 -0.65 -0.54 0.00 0.00 175.26 175.16 3lo3 s GLN 43 N 1.29 3.73 -0.00 4.30 -1.52 -1.26 -4.91 119.66 121.29 3lo3 s GLN 43 Ca 0.00 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.84 3lo3 s GLN 43 Cb -0.16 -2.69 -0.00 0.00 -0.22 0.00 0.00 33.01 29.94 3lo3 s GLN 43 CO -0.07 -0.78 -0.00 1.28 -0.25 0.00 0.00 175.29 175.47 3lo3 n LEU 44 N -0.13 2.62 -3.70 2.90 4.77 -1.26 -5.08 117.00 117.12 3lo3 n LEU 44 Ca 0.05 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3lo3 n LEU 44 Cb 0.42 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3lo3 n LEU 44 CO 0.59 0.44 0.13 -2.28 -1.33 0.00 0.00 177.39 174.94 3lo3 s HIS 45 N -2.00 -0.34 0.24 -1.77 5.04 -1.26 -5.14 115.29 110.05 3lo3 s HIS 45 Ca -0.00 0.64 0.00 0.00 -1.54 0.00 0.00 55.06 54.16 3lo3 s HIS 45 Cb 0.00 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.79 3lo3 s HIS 45 CO 0.00 -0.40 0.00 0.41 -2.34 0.00 0.00 174.74 172.42 3lo3 n GLY 46 N 1.56 -1.74 3.61 1.59 0.00 -1.26 -4.85 105.19 104.09 3lo3 n GLY 46 Ca -0.19 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3lo3 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lo3 s LYS 47 N -1.91 2.80 -0.08 1.61 -2.85 -1.26 -4.99 119.74 113.07 3lo3 s LYS 47 Ca 0.00 -0.52 0.05 0.00 -1.00 0.00 0.00 55.97 54.50 3lo3 s LYS 47 Cb 0.00 -2.64 -0.01 0.00 -2.06 0.00 0.00 37.83 33.12 3lo3 s LYS 47 CO 0.00 0.67 -0.23 0.12 0.10 0.00 0.00 175.35 176.01 3lo3 s PHE 48 N -0.84 2.53 -1.10 1.78 5.36 -1.26 -5.03 117.98 119.43 3lo3 s PHE 48 Ca 0.13 -0.81 0.23 0.00 -0.96 0.00 0.00 56.93 55.52 3lo3 s PHE 48 Cb -0.11 -1.66 1.03 0.00 -0.34 0.00 0.00 43.02 41.94 3lo3 s PHE 48 CO 0.02 -0.28 1.75 0.39 -1.46 0.00 0.00 175.22 175.64 3lo3 n GLU 49 N 3.18 0.08 -4.51 10.12 1.02 -1.26 -4.88 120.64 124.38 3lo3 n GLU 49 Ca -0.18 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.81 3lo3 n GLU 49 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.90 2.23 -0.11 -0.32 3.76 -1.26 -4.98 115.29 111.70 3lo3 s HIS 50 Ca 0.14 -0.67 0.16 0.00 -0.15 0.00 0.00 55.06 54.54 3lo3 s HIS 50 Cb 0.15 -1.38 -0.17 0.00 1.11 0.00 0.00 32.58 32.30 3lo3 s HIS 50 CO 0.41 0.38 0.73 1.63 -0.85 0.00 0.00 174.74 177.04 3lo3 n LYS 51 N -0.75 0.63 -3.79 1.40 5.02 -0.35 -4.91 118.16 115.42 3lo3 n LYS 51 Ca -0.05 0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 3lo3 n LYS 51 Cb 0.65 -1.78 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo3 s ALA 52 N -2.85 -0.88 0.01 7.82 0.00 -0.62 -1.82 121.76 123.42 3lo3 s ALA 52 Ca -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3lo3 s ALA 52 Cb 0.09 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3lo3 s ALA 52 CO 0.82 -0.84 -0.00 -0.65 0.00 0.00 0.00 175.76 175.09 3lo3 s GLN 53 N -3.90 0.20 0.05 0.00 -0.21 -0.50 -0.38 119.66 114.93 3lo3 s GLN 53 Ca 0.11 -0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.22 3lo3 s GLN 53 Cb -0.01 0.07 -0.03 0.00 1.00 0.00 0.00 33.01 34.04 3lo3 s GLN 53 CO -0.00 -0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 173.04 3lo3 s VAL 54 N -0.83 1.43 -0.15 1.09 1.01 -0.79 -1.34 120.40 120.83 3lo3 s VAL 54 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3lo3 s VAL 54 Cb -0.06 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3lo3 s VAL 54 CO -0.00 0.06 -0.13 -0.63 0.00 0.00 0.00 175.10 174.40 3lo3 s ILE 55 N -0.90 1.52 -0.13 2.22 1.01 0.10 -1.36 121.20 123.65 3lo3 s ILE 55 Ca 0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3lo3 s ILE 55 Cb -0.09 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3lo3 s ILE 55 CO 0.02 0.43 0.05 -0.76 0.00 0.00 0.00 174.94 174.68 3lo3 s LEU 56 N 1.51 3.80 -0.08 2.97 1.43 0.98 -0.27 118.68 129.01 3lo3 s LEU 56 Ca 0.05 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3lo3 s LEU 56 Cb -0.13 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3lo3 s LEU 56 CO -0.10 0.30 -0.16 -1.83 0.23 0.00 0.00 176.35 174.78 3lo3 s GLU 57 N -0.37 2.88 0.17 1.70 -1.05 0.75 -1.05 118.70 121.73 3lo3 s GLU 57 Ca 0.09 -0.73 0.06 0.00 -0.15 0.00 0.00 54.97 54.23 3lo3 s GLU 57 Cb -0.12 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.09 3lo3 s GLU 57 CO 0.02 0.40 -0.13 -0.06 0.95 0.00 0.00 175.26 176.45 3lo3 s PHE 58 N -0.17 1.50 -0.90 4.83 0.08 -0.37 -0.94 117.98 122.01 3lo3 s PHE 58 Ca -0.01 -0.65 0.24 0.00 0.12 0.00 0.00 56.93 56.62 3lo3 s PHE 58 Cb -0.13 -0.72 0.96 0.00 -0.57 0.00 0.00 43.02 42.55 3lo3 s PHE 58 CO 0.03 0.22 1.74 -0.35 -0.10 0.00 0.00 175.22 176.77 3lo3 n PRO 59 N -0.24 0.06 -3.56 0.24 -0.04 -1.26 -0.80 135.00 129.40 3lo3 n PRO 59 Ca -0.09 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 3lo3 n PRO 59 Cb 0.60 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3lo3 s SER 60 N -3.38 -0.40 0.22 3.54 1.04 -1.26 -3.99 113.70 109.48 3lo3 s SER 60 Ca 0.10 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 3lo3 s SER 60 Cb 0.14 0.51 0.25 0.00 0.10 0.00 0.00 66.02 67.02 3lo3 s SER 60 CO 0.45 -0.82 1.83 -0.09 0.98 0.00 0.00 173.24 175.59 3lo3 h ARG 61 N 2.47 0.79 -0.15 4.02 2.43 -1.81 -2.52 114.38 119.61 3lo3 h ARG 61 Ca -0.33 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 3lo3 h ARG 61 Cb 1.25 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3lo3 h ARG 61 CO 0.42 0.53 -0.29 1.05 -1.51 0.00 0.00 179.97 180.17 3lo3 h GLU 62 N 0.82 0.29 -0.49 0.20 4.11 -1.96 -1.48 114.58 116.07 3lo3 h GLU 62 Ca 0.32 -0.11 -0.11 0.00 0.07 0.00 0.00 59.36 59.53 3lo3 h GLU 62 Cb 0.13 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3lo3 h GLU 62 CO -0.16 0.56 -0.13 -0.44 0.07 0.00 0.00 179.01 178.91 3lo3 h ASP 63 N 0.26 0.93 0.15 3.06 3.32 -1.81 0.87 116.42 123.19 3lo3 h ASP 63 Ca 0.04 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3lo3 h ASP 63 Cb 0.65 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3lo3 h ASP 63 CO 0.05 1.06 -0.07 0.00 -1.72 0.00 0.00 179.24 178.56 3lo3 h ALA 64 N 1.02 -0.20 -0.42 3.45 0.00 -1.07 -2.08 119.26 119.95 3lo3 h ALA 64 Ca 0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3lo3 h ALA 64 Cb 0.67 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3lo3 h ALA 64 CO 0.05 -0.61 -0.22 -0.92 0.00 0.00 0.00 179.25 177.54 3lo3 h TYR 65 N -0.20 0.97 0.00 0.00 3.20 -1.06 -1.93 116.97 117.96 3lo3 h TYR 65 Ca -0.02 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.53 3lo3 h TYR 65 Cb 0.16 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3lo3 h TYR 65 CO -0.07 0.99 -0.45 -0.91 -1.64 0.00 0.00 178.16 176.08 3lo3 h ASN 66 N 0.74 0.00 0.51 -2.11 2.35 -0.83 -2.61 115.58 113.63 3lo3 h ASN 66 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3lo3 h ASN 66 Cb 0.76 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.13 3lo3 h ASN 66 CO 0.06 0.45 -0.25 -0.25 -1.65 0.00 0.00 177.43 175.79 3lo3 h TRP 67 N 0.00 -0.64 -0.16 1.19 7.01 -0.63 -1.16 115.95 121.57 3lo3 h TRP 67 Ca -0.00 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.03 3lo3 h TRP 67 Cb 0.99 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 3lo3 h TRP 67 CO 0.00 -0.33 0.12 -0.92 -2.79 0.00 0.00 178.44 174.52 3lo3 h TYR 68 N -0.84 0.00 -0.05 2.65 3.20 -1.32 -0.81 116.97 119.79 3lo3 h TYR 68 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3lo3 h TYR 68 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3lo3 h TYR 68 CO -0.01 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.23 3lo3 n HIS 69 N -4.40 0.04 -1.22 -3.82 8.25 -0.99 -4.57 115.22 108.50 3lo3 n HIS 69 Ca 0.01 -0.02 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 3lo3 n HIS 69 Cb 0.25 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.96 4.37 -0.02 0.41 1.04 -0.31 -4.90 113.70 112.34 3lo3 s SER 70 Ca 0.31 1.86 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 3lo3 s SER 70 Cb 0.20 -2.53 -0.20 0.00 0.10 0.00 0.00 66.02 63.60 3lo3 s SER 70 CO 0.31 -2.12 1.20 -0.33 0.98 0.00 0.00 173.24 173.27 3lo3 h GLU 71 N -1.17 0.15 -0.99 4.02 5.08 -1.89 -2.39 114.58 117.39 3lo3 h GLU 71 Ca -0.44 -0.10 0.18 0.00 -1.00 0.00 0.00 59.36 58.01 3lo3 h GLU 71 Cb 1.23 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 3lo3 h GLU 71 CO 0.50 0.70 -0.29 0.93 -1.00 0.00 0.00 179.01 179.86 3lo3 h GLU 72 N -0.39 -0.00 0.03 2.33 3.07 -1.92 -0.19 114.58 117.50 3lo3 h GLU 72 Ca -0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 3lo3 h GLU 72 Cb 0.70 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3lo3 h GLU 72 CO 0.02 -0.00 -0.97 -0.92 -1.40 0.00 0.00 179.01 175.74 3lo3 h TYR 73 N -0.00 0.42 0.00 4.33 3.20 -1.80 -3.20 116.97 119.91 3lo3 h TYR 73 Ca 0.44 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3lo3 h TYR 73 Cb 0.68 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3lo3 h TYR 73 CO -0.79 1.09 0.00 1.96 -1.64 0.00 0.00 178.16 178.78 3lo3 h GLN 74 N 0.13 0.00 0.00 1.82 1.08 -0.54 -1.93 115.11 115.67 3lo3 h GLN 74 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3lo3 h GLN 74 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 3lo3 h GLN 74 CO 0.16 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.04 3lo3 h ALA 75 N 2.00 1.00 0.00 3.87 0.00 -1.23 -2.84 119.26 122.07 3lo3 h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lo3 h ALA 75 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3lo3 h ALA 75 CO 0.00 0.00 -0.85 1.28 0.00 0.00 0.00 179.25 179.68 3lo3 n LEU 76 N -2.37 0.64 -0.07 0.00 4.77 -0.73 -4.54 117.00 114.70 3lo3 n LEU 76 Ca 0.03 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 3lo3 n LEU 76 Cb 0.31 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 3lo3 n LEU 76 CO 0.24 0.09 0.72 0.40 -1.33 0.00 0.00 177.39 177.50 3lo3 h ILE 77 N 0.00 1.27 -0.75 -0.08 2.04 -1.52 -1.97 117.51 116.50 3lo3 h ILE 77 Ca 0.00 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.58 3lo3 h ILE 77 Cb 0.64 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3lo3 h ILE 77 CO 0.00 0.43 0.48 0.77 0.00 0.00 0.00 178.15 179.83 3lo3 h SER 78 N 0.63 0.79 0.08 1.72 4.64 -1.80 -2.39 113.55 117.21 3lo3 h SER 78 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3lo3 h SER 78 Cb 0.71 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3lo3 h SER 78 CO 0.05 0.54 -0.08 0.35 -0.87 0.00 0.00 176.83 176.83 3lo3 n THR 79 N -4.63 0.00 0.09 2.95 -2.24 -1.05 -3.16 114.28 106.24 3lo3 n THR 79 Ca 0.08 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 3lo3 n THR 79 Cb 0.08 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 3lo3 n THR 79 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3lo3 h ARG 80 N 1.83 0.44 -0.46 -0.78 2.43 -0.88 -2.94 114.38 114.02 3lo3 h ARG 80 Ca 0.00 -0.75 -0.14 0.00 -0.81 0.00 0.00 59.98 58.28 3lo3 h ARG 80 Cb 0.47 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3lo3 h ARG 80 CO 0.00 1.36 -0.26 -0.44 -1.51 0.00 0.00 179.97 179.12 3lo3 h ASP 81 N 0.08 1.01 -0.41 -3.80 3.32 -1.47 -2.26 116.42 112.90 3lo3 h ASP 81 Ca -0.31 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.35 3lo3 h ASP 81 Cb 2.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 41.34 3lo3 h ASP 81 CO 0.20 1.20 0.26 -0.07 -1.72 0.00 0.00 179.24 179.11 3lo3 h LEU 82 N 0.83 0.43 -1.02 1.55 3.38 -1.68 -3.39 115.31 115.41 3lo3 h LEU 82 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3lo3 h LEU 82 Cb 0.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3lo3 h LEU 82 CO 0.07 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.52 3lo3 n GLY 83 N -1.21 -1.13 3.48 0.83 0.00 -0.85 -3.06 105.19 103.25 3lo3 n GLY 83 Ca 0.01 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.21 4.33 0.19 1.61 -0.00 -0.45 -0.82 116.67 117.33 3lo3 s ASP 85 Ca 0.02 -0.17 -0.17 0.00 -0.00 0.00 0.00 52.55 52.23 3lo3 s ASP 85 Cb 0.08 -1.29 0.02 0.00 -0.00 0.00 0.00 42.92 41.73 3lo3 s ASP 85 CO 0.32 0.28 0.50 -0.94 -0.00 0.00 0.00 175.17 175.33 3lo3 s SER 86 N -0.30 -0.23 -0.07 0.27 1.04 -1.25 0.60 113.70 113.76 3lo3 s SER 86 Ca 0.03 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.96 3lo3 s SER 86 Cb -0.13 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3lo3 s SER 86 CO 0.03 -1.04 -0.13 0.00 0.98 0.00 0.00 173.24 173.07 3lo3 s GLN 87 N -3.88 1.85 -0.24 4.02 -2.07 0.14 -4.91 119.66 114.56 3lo3 s GLN 87 Ca 0.10 -0.46 -0.04 0.00 -1.82 0.00 0.00 55.36 53.13 3lo3 s GLN 87 Cb -0.01 -1.51 -0.00 0.00 -1.09 0.00 0.00 33.01 30.40 3lo3 s GLN 87 CO -0.02 0.04 -0.01 -0.06 -1.32 0.00 0.00 175.29 173.91 3lo3 s PHE 88 N 0.64 3.02 0.05 9.60 0.08 -1.26 -0.11 117.98 130.01 3lo3 s PHE 88 Ca -0.15 -0.99 0.08 0.00 0.12 0.00 0.00 56.93 56.00 3lo3 s PHE 88 Cb -0.16 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3lo3 s PHE 88 CO 0.04 -0.56 -0.21 -0.65 -0.10 0.00 0.00 175.22 173.73 3lo3 s GLN 89 N 1.47 1.92 -0.16 0.44 1.11 0.86 -4.98 119.66 120.33 3lo3 s GLN 89 Ca 0.04 -1.06 0.01 0.00 0.01 0.00 0.00 55.36 54.37 3lo3 s GLN 89 Cb -0.15 -2.10 0.02 0.00 -1.01 0.00 0.00 33.01 29.77 3lo3 s GLN 89 CO -0.02 0.52 -0.19 -1.17 0.01 0.00 0.00 175.29 174.44 3lo3 s LEU 90 N -1.45 2.01 -0.08 2.90 2.96 -1.26 -0.96 118.68 122.80 3lo3 s LEU 90 Ca 0.14 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3lo3 s LEU 90 Cb -0.10 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.21 3lo3 s LEU 90 CO 0.04 0.01 -0.19 0.27 -1.32 0.00 0.00 176.35 175.17 3lo3 s ILE 91 N 1.17 1.64 0.00 6.68 -0.00 -0.89 -5.03 121.20 124.77 3lo3 s ILE 91 Ca 0.01 -0.79 0.00 0.00 -0.00 0.00 0.00 60.65 59.87 3lo3 s ILE 91 Cb -0.14 -1.43 0.00 0.00 -0.00 0.00 0.00 42.46 40.89 3lo3 s ILE 91 CO -0.09 0.47 0.00 0.61 -0.00 0.00 0.00 174.94 175.93