#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 2.14 -1.32 6.43 4.22 -1.26 -5.07 114.94 120.08 3lo3 s ASN 0 Ca 0.00 -1.11 -0.12 0.00 -2.14 0.00 0.00 52.86 49.49 3lo3 s ASN 0 Cb 0.00 -0.06 0.13 0.00 1.28 0.00 0.00 41.25 42.60 3lo3 s ASN 0 CO 0.00 -0.36 1.92 0.00 -2.04 0.00 0.00 177.10 176.62 3lo3 n ALA 1 N -0.37 5.14 -1.68 3.54 0.00 -1.26 -4.97 120.51 120.90 3lo3 n ALA 1 Ca -0.07 -4.16 -0.53 0.00 0.00 0.00 0.00 53.44 48.68 3lo3 n ALA 1 Cb 0.62 -3.18 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 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 4.15 0.29 -3.08 0.00 -1.04 -1.26 -4.00 114.28 109.34 3lo3 n THR 2 Ca 0.43 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 62.17 3lo3 n THR 2 Cb 0.38 -1.33 0.01 0.00 -1.82 0.00 0.00 70.33 67.57 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 2.87 3.81 -0.04 2.41 0.00 -0.06 -4.68 121.76 126.06 3lo3 s ALA 3 Ca 0.93 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 3lo3 s ALA 3 Cb -0.92 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3lo3 s ALA 3 CO 0.56 -0.30 0.12 0.71 0.00 0.00 0.00 175.76 176.85 3lo3 s TYR 4 N -2.48 -0.13 -0.13 0.00 2.02 -1.26 -1.14 117.35 114.23 3lo3 s TYR 4 Ca 0.47 0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.51 3lo3 s TYR 4 Cb -0.10 0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.49 3lo3 s TYR 4 CO 0.37 -0.07 -0.19 0.42 -1.57 0.00 0.00 175.55 174.51 3lo3 s ILE 5 N 0.16 2.45 -0.21 2.71 1.01 0.14 -0.79 121.20 126.68 3lo3 s ILE 5 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 3lo3 s ILE 5 Cb -0.02 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3lo3 s ILE 5 CO -0.00 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.78 3lo3 s ILE 6 N 0.56 3.22 -0.07 2.92 1.01 0.31 -0.81 121.20 128.33 3lo3 s ILE 6 Ca -0.11 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3lo3 s ILE 6 Cb -0.16 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3lo3 s ILE 6 CO 0.04 0.45 -0.17 0.54 0.00 0.00 0.00 174.94 175.79 3lo3 s VAL 7 N 1.32 2.77 -0.19 2.92 0.11 -0.61 -0.68 120.40 126.04 3lo3 s VAL 7 Ca 0.04 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.22 3lo3 s VAL 7 Cb -0.14 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 3lo3 s VAL 7 CO -0.03 0.57 0.03 -0.83 -3.33 0.00 0.00 175.10 171.50 3lo3 s GLY 8 N -0.28 1.81 0.08 6.54 0.00 -0.85 -1.89 107.32 112.73 3lo3 s GLY 8 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3lo3 s GLY 8 CO 0.03 0.11 -0.06 0.48 0.00 0.00 0.00 173.10 173.66 3lo3 s LEU 9 N 0.61 2.45 -0.30 0.66 0.05 -0.27 -1.54 118.68 120.34 3lo3 s LEU 9 Ca 0.01 -0.91 -0.02 0.00 0.05 0.00 0.00 54.13 53.26 3lo3 s LEU 9 Cb -0.14 -0.03 0.12 0.00 -2.05 0.00 0.00 46.19 44.10 3lo3 s LEU 9 CO 0.02 -0.44 0.20 -0.89 -0.55 0.00 0.00 176.35 174.69 3lo3 s THR 10 N -3.21 -0.15 -0.15 5.48 2.01 -0.65 -0.74 115.64 118.22 3lo3 s THR 10 Ca 0.06 -0.83 -0.39 0.00 0.31 0.00 0.00 61.69 60.84 3lo3 s THR 10 Cb 0.03 -0.98 -0.16 0.00 0.01 0.00 0.00 72.50 71.39 3lo3 s THR 10 CO -0.05 -0.68 1.57 -2.65 -0.69 0.00 0.00 174.62 172.12 3lo3 n PRO 11 N 5.03 1.04 -0.08 4.92 -0.02 -1.26 -2.46 135.00 142.17 3lo3 n PRO 11 Ca -0.01 0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.78 3lo3 n PRO 11 Cb 0.43 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.16 0.48 -3.95 -0.52 5.02 0.38 -4.91 118.16 118.82 3lo3 n LYS 12 Ca 0.24 0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 3lo3 n LYS 12 Cb 0.14 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.50 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 -5.75 3.43 0.26 4.39 -1.08 -0.82 -5.02 116.67 112.07 3lo3 s ASP 13 Ca -0.22 -0.94 -0.02 0.00 -0.52 0.00 0.00 52.55 50.84 3lo3 s ASP 13 Cb 0.03 -1.13 0.50 0.00 -1.46 0.00 0.00 42.92 40.87 3lo3 s ASP 13 CO 0.33 -0.19 1.76 0.00 0.52 0.00 0.00 175.17 177.59 3lo3 h ALA 14 N 8.00 1.22 0.00 3.66 0.00 -1.92 0.56 119.26 130.78 3lo3 h ALA 14 Ca -0.23 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 3lo3 h ALA 14 Cb 1.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3lo3 h ALA 14 CO 0.43 -0.10 -0.93 1.05 0.00 0.00 0.00 179.25 179.70 3lo3 h GLU 15 N 0.60 0.00 0.46 0.00 9.09 -1.96 -0.64 114.58 122.12 3lo3 h GLU 15 Ca 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.83 3lo3 h GLU 15 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3lo3 h GLU 15 CO -0.36 0.87 -0.22 0.87 0.05 0.00 0.00 179.01 180.22 3lo3 h LYS 16 N 0.00 -0.60 -0.73 1.06 6.56 -1.80 -2.61 116.57 118.44 3lo3 h LYS 16 Ca -0.02 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 59.73 3lo3 h LYS 16 Cb 1.70 0.14 -0.13 0.00 -0.57 0.00 0.00 32.23 33.37 3lo3 h LYS 16 CO 0.11 -0.30 -0.38 -0.07 -2.06 0.00 0.00 179.45 176.74 3lo3 h LEU 17 N -1.03 -1.36 -0.45 2.94 3.38 -0.86 0.25 115.31 118.18 3lo3 h LEU 17 Ca -0.06 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3lo3 h LEU 17 Cb 0.57 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 3lo3 h LEU 17 CO 0.10 -0.30 -0.25 -0.61 0.09 0.00 0.00 178.44 177.47 3lo3 h GLN 18 N -0.12 -0.15 0.40 1.13 4.15 -1.21 0.42 115.11 119.73 3lo3 h GLN 18 Ca 0.25 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 3lo3 h GLN 18 Cb 0.56 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3lo3 h GLN 18 CO -0.79 -0.10 -0.31 1.96 -1.93 0.00 0.00 178.83 177.66 3lo3 h GLN 19 N -0.16 -0.68 -0.71 1.69 4.20 -0.23 -0.81 115.11 118.42 3lo3 h GLN 19 Ca 0.21 0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.07 3lo3 h GLN 19 Cb 0.49 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.35 3lo3 h GLN 19 CO -0.54 -0.45 0.33 -0.92 -0.67 0.00 0.00 178.83 176.58 3lo3 h TYR 20 N -0.70 0.59 -0.29 2.96 3.20 -0.62 -2.92 116.97 119.20 3lo3 h TYR 20 Ca -0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3lo3 h TYR 20 Cb 0.61 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 3lo3 h TYR 20 CO -0.14 0.19 -0.06 0.78 -1.64 0.00 0.00 178.16 177.29 3lo3 h GLY 21 N 0.55 0.22 2.00 1.82 0.00 0.11 -2.03 103.07 105.75 3lo3 h GLY 21 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3lo3 h GLY 21 CO -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.14 3lo3 h ALA 22 N 1.28 1.00 0.00 3.60 0.00 -1.00 -3.04 119.26 121.09 3lo3 h ALA 22 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3lo3 h ALA 22 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3lo3 h ALA 22 CO -0.28 0.00 -1.50 0.54 0.00 0.00 0.00 179.25 178.01 3lo3 n ARG 23 N -2.62 0.63 -0.19 0.00 5.12 -0.79 -4.57 116.66 114.25 3lo3 n ARG 23 Ca 0.01 0.13 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 3lo3 n ARG 23 Cb 0.22 -1.75 0.01 0.00 -1.16 0.00 0.00 32.46 29.79 3lo3 n ARG 23 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3lo3 h VAL 24 N 0.00 1.24 -0.82 1.55 -1.51 -1.37 -3.26 116.25 112.07 3lo3 h VAL 24 Ca -0.15 -0.81 0.19 0.00 -1.23 0.00 0.00 66.70 64.71 3lo3 h VAL 24 Cb 1.46 0.76 -0.12 0.00 -2.13 0.00 0.00 31.29 31.26 3lo3 h VAL 24 CO 0.03 0.30 0.28 0.00 -1.23 0.00 0.00 177.57 176.95 3lo3 h ALA 25 N 1.02 1.19 -0.04 5.19 0.00 -1.80 -1.49 119.26 123.34 3lo3 h ALA 25 Ca 0.17 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3lo3 h ALA 25 Cb 0.29 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3lo3 h ALA 25 CO -0.00 -0.34 -0.46 0.66 0.00 0.00 0.00 179.25 179.10 3lo3 h SER 26 N 0.33 0.09 0.47 0.00 4.64 -1.87 -2.44 113.55 114.77 3lo3 h SER 26 Ca 0.49 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 3lo3 h SER 26 Cb 0.89 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3lo3 h SER 26 CO -0.53 0.54 -0.29 0.71 -0.87 0.00 0.00 176.83 176.39 3lo3 h THR 27 N 0.07 0.98 -0.10 2.95 1.35 -1.42 -3.22 112.91 113.51 3lo3 h THR 27 Ca 0.00 -1.10 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 3lo3 h THR 27 Cb 0.85 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3lo3 h THR 27 CO 0.06 0.29 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.37 3lo3 h LEU 28 N 0.00 0.34 -1.31 3.87 3.38 -1.33 -3.37 115.31 116.90 3lo3 h LEU 28 Ca -0.00 -0.55 0.22 0.00 0.09 0.00 0.00 57.88 57.64 3lo3 h LEU 28 Cb 0.61 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3lo3 h LEU 28 CO 0.04 0.83 0.63 0.00 0.09 0.00 0.00 178.44 180.02 3lo3 h ALA 29 N 0.52 2.06 -0.27 1.53 0.00 -1.56 0.60 119.26 122.14 3lo3 h ALA 29 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3lo3 h ALA 29 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3lo3 h ALA 29 CO 0.04 -0.42 -0.23 -0.22 0.00 0.00 0.00 179.25 178.43 3lo3 h LYS 30 N 0.51 0.51 -0.27 0.00 3.64 -1.75 -2.68 116.57 116.53 3lo3 h LYS 30 Ca 0.55 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3lo3 h LYS 30 Cb 1.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3lo3 h LYS 30 CO -0.28 0.71 0.00 0.66 -2.27 0.00 0.00 179.45 178.26 3lo3 n TYR 31 N -4.13 0.34 -1.16 1.91 4.01 0.17 -4.93 117.16 113.37 3lo3 n TYR 31 Ca -0.00 -0.17 -0.05 0.00 -0.16 0.00 0.00 57.90 57.51 3lo3 n TYR 31 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.10 -5.32 -3.42 7.72 7.64 0.12 -4.69 113.62 116.77 3lo3 n SER 32 Ca 0.18 0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 3lo3 n SER 32 Cb 0.52 -3.30 0.28 0.00 -1.01 0.00 0.00 64.21 60.70 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 -2.26 1.49 0.00 0.23 0.00 -1.10 -4.58 107.32 101.10 3lo3 s GLY 33 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3lo3 s GLY 33 CO 0.00 0.01 0.00 -2.21 0.00 0.00 0.00 173.10 170.90 3lo3 n GLU 34 N -5.35 0.00 -2.36 2.90 2.13 -0.58 -4.69 120.64 112.68 3lo3 n GLU 34 Ca 0.15 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.54 3lo3 n GLU 34 Cb 0.60 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.29 3lo3 n GLU 34 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3lo3 s VAL 35 N -0.48 4.07 -0.09 6.31 1.01 -1.26 0.19 120.40 130.16 3lo3 s VAL 35 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3lo3 s VAL 35 Cb 0.00 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 32.07 3lo3 s VAL 35 CO 0.00 -0.40 0.50 0.25 0.00 0.00 0.00 175.10 175.45 3lo3 h LEU 36 N 10.89 0.32 -7.55 3.92 5.85 -0.27 -3.48 115.31 124.99 3lo3 h LEU 36 Ca -0.28 -0.68 -0.10 0.00 0.84 0.00 0.00 57.88 57.67 3lo3 h LEU 36 Cb 1.11 -0.10 -0.18 0.00 0.37 0.00 0.00 40.66 41.86 3lo3 h LEU 36 CO 1.02 1.61 -0.26 -0.69 -0.34 0.00 0.00 178.44 179.78 3lo3 s VAL 37 N -2.57 0.08 -0.30 1.05 1.01 -1.10 -4.96 120.40 113.60 3lo3 s VAL 37 Ca -0.16 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3lo3 s VAL 37 Cb 0.07 -0.86 0.15 0.00 0.00 0.00 0.00 36.38 35.74 3lo3 s VAL 37 CO 0.80 -0.35 0.75 -0.75 0.00 0.00 0.00 175.10 175.54 3lo3 s LYS 38 N -2.26 0.48 0.00 2.72 2.20 -1.26 -0.46 119.74 121.16 3lo3 s LYS 38 Ca -0.07 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 3lo3 s LYS 38 Cb -0.02 0.67 0.00 0.00 -1.51 0.00 0.00 37.83 36.97 3lo3 s LYS 38 CO -0.02 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 3lo3 n GLY 39 N 5.33 0.37 3.79 5.54 0.00 -0.80 -5.04 105.19 114.40 3lo3 n GLY 39 Ca -0.09 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 6.58 -0.08 1.61 0.01 -1.26 -1.38 113.70 119.18 3lo3 s SER 40 Ca 0.00 1.95 -0.15 0.00 1.31 0.00 0.00 55.95 59.05 3lo3 s SER 40 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3lo3 s SER 40 CO 0.00 -0.61 0.40 -0.69 0.41 0.00 0.00 173.24 172.75 3lo3 s VAL 41 N -1.86 5.15 -0.22 3.43 1.01 -0.75 -4.86 120.40 122.29 3lo3 s VAL 41 Ca 0.63 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 3lo3 s VAL 41 Cb -0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3lo3 s VAL 41 CO 0.22 0.46 0.05 -0.70 0.00 0.00 0.00 175.10 175.13 3lo3 s GLU 42 N -0.18 3.71 -0.37 2.72 2.12 -1.26 -4.95 118.70 120.48 3lo3 s GLU 42 Ca 0.23 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 3lo3 s GLU 42 Cb -0.15 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.00 3lo3 s GLU 42 CO 0.10 -0.05 1.35 -1.14 -0.54 0.00 0.00 175.26 174.98 3lo3 s GLN 43 N 1.23 3.72 0.00 4.30 2.00 -1.26 -4.89 119.66 124.76 3lo3 s GLN 43 Ca 0.04 1.03 0.12 0.00 -2.00 0.00 0.00 55.36 54.55 3lo3 s GLN 43 Cb -0.14 -3.96 -0.21 0.00 0.80 0.00 0.00 33.01 29.49 3lo3 s GLN 43 CO 0.03 -1.38 0.82 -0.07 -0.50 0.00 0.00 175.29 174.19 3lo3 h LEU 44 N 11.61 0.00 -7.10 3.68 3.38 -2.04 -3.48 115.31 121.36 3lo3 h LEU 44 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3lo3 h LEU 44 Cb 1.10 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 3lo3 h LEU 44 CO 1.07 0.96 0.02 -2.28 0.09 0.00 0.00 178.44 178.30 3lo3 s HIS 45 N -2.65 -0.66 0.00 1.13 5.04 -1.26 -5.14 115.29 111.74 3lo3 s HIS 45 Ca -0.03 1.56 0.00 0.00 -1.54 0.00 0.00 55.06 55.05 3lo3 s HIS 45 Cb 0.08 0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.95 3lo3 s HIS 45 CO 0.82 -0.36 0.00 0.41 -2.34 0.00 0.00 174.74 173.27 3lo3 n GLY 46 N 2.50 -0.40 3.04 1.59 0.00 -1.26 -4.89 105.19 105.77 3lo3 n GLY 46 Ca -0.15 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 3lo3 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lo3 s LYS 47 N 0.00 0.78 -0.11 1.61 2.20 -1.26 -5.07 119.74 117.88 3lo3 s LYS 47 Ca 0.00 -0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3lo3 s LYS 47 Cb 0.00 -0.75 0.05 0.00 -1.51 0.00 0.00 37.83 35.62 3lo3 s LYS 47 CO 0.00 0.20 0.25 0.12 -0.36 0.00 0.00 175.35 175.56 3lo3 s PHE 48 N -0.27 -0.35 -1.54 4.03 5.36 -1.26 -5.06 117.98 118.88 3lo3 s PHE 48 Ca 0.03 0.84 0.18 0.00 -0.96 0.00 0.00 56.93 57.03 3lo3 s PHE 48 Cb -0.04 -0.00 0.62 0.00 -0.34 0.00 0.00 43.02 43.26 3lo3 s PHE 48 CO -0.00 -0.28 1.52 -0.85 -1.46 0.00 0.00 175.22 174.15 3lo3 n GLU 49 N 4.70 3.06 -4.26 10.12 0.28 -1.26 -4.89 120.64 128.40 3lo3 n GLU 49 Ca -0.17 -2.48 -0.27 0.00 -0.16 0.00 0.00 57.16 54.08 3lo3 n GLU 49 Cb 0.52 -1.70 -0.07 0.00 1.43 0.00 0.00 31.44 31.62 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3lo3 s HIS 50 N -1.52 2.34 -0.08 -1.84 3.76 -1.26 -4.96 115.29 111.73 3lo3 s HIS 50 Ca 0.45 -0.69 0.17 0.00 -0.15 0.00 0.00 55.06 54.84 3lo3 s HIS 50 Cb 0.27 -1.88 -0.26 0.00 1.11 0.00 0.00 32.58 31.82 3lo3 s HIS 50 CO 0.26 0.13 0.40 1.63 -0.85 0.00 0.00 174.74 176.30 3lo3 n LYS 51 N -1.29 0.59 -3.76 1.40 4.76 0.08 -4.93 118.16 115.01 3lo3 n LYS 51 Ca -0.04 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.16 3lo3 n LYS 51 Cb 0.65 -1.39 -0.05 0.00 -1.84 0.00 0.00 35.03 32.40 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 -3.12 -0.66 0.08 7.82 0.00 -1.03 -1.81 121.76 123.03 3lo3 s ALA 52 Ca -0.05 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3lo3 s ALA 52 Cb 0.11 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 3lo3 s ALA 52 CO 0.70 -0.69 -0.13 -0.65 0.00 0.00 0.00 175.76 175.00 3lo3 s GLN 53 N -3.87 0.81 0.04 0.00 -1.52 -0.48 -1.12 119.66 113.53 3lo3 s GLN 53 Ca 0.08 -1.00 0.02 0.00 -1.95 0.00 0.00 55.36 52.51 3lo3 s GLN 53 Cb 0.01 -0.71 -0.02 0.00 -0.22 0.00 0.00 33.01 32.07 3lo3 s GLN 53 CO -0.06 0.15 -0.07 0.08 -0.25 0.00 0.00 175.29 175.13 3lo3 s VAL 54 N -1.61 0.50 -0.18 1.09 1.01 -0.79 -1.90 120.40 118.52 3lo3 s VAL 54 Ca -0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 3lo3 s VAL 54 Cb -0.08 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.74 3lo3 s VAL 54 CO 0.02 -0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 174.03 3lo3 s ILE 55 N -1.47 1.15 0.08 2.22 1.09 0.40 -1.58 121.20 123.08 3lo3 s ILE 55 Ca -0.10 -0.75 -0.12 0.00 -1.10 0.00 0.00 60.65 58.59 3lo3 s ILE 55 Cb -0.09 -1.37 -0.06 0.00 -1.06 0.00 0.00 42.46 39.87 3lo3 s ILE 55 CO 0.00 0.06 0.43 -0.76 -0.10 0.00 0.00 174.94 174.57 3lo3 s LEU 56 N 1.60 4.37 -0.09 2.97 2.01 0.01 0.52 118.68 130.07 3lo3 s LEU 56 Ca -0.01 0.89 0.02 0.00 0.01 0.00 0.00 54.13 55.05 3lo3 s LEU 56 Cb -0.16 -2.97 0.01 0.00 0.01 0.00 0.00 46.19 43.08 3lo3 s LEU 56 CO -0.07 0.19 -0.16 -0.70 1.01 0.00 0.00 176.35 176.62 3lo3 s GLU 57 N -1.75 2.17 0.29 1.70 2.12 0.13 -0.68 118.70 122.67 3lo3 s GLU 57 Ca 0.32 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3lo3 s GLU 57 Cb -0.15 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.42 3lo3 s GLU 57 CO 0.17 0.02 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.80 3lo3 s PHE 58 N 0.72 2.00 -0.89 5.30 0.08 -0.29 -1.52 117.98 123.37 3lo3 s PHE 58 Ca -0.13 -0.68 0.25 0.00 0.12 0.00 0.00 56.93 56.50 3lo3 s PHE 58 Cb -0.16 -1.14 0.99 0.00 -0.57 0.00 0.00 43.02 42.14 3lo3 s PHE 58 CO 0.03 0.31 1.78 -2.30 -0.10 0.00 0.00 175.22 174.94 3lo3 n PRO 59 N -0.61 0.08 -3.60 0.24 -0.02 -1.26 -0.89 135.00 128.94 3lo3 n PRO 59 Ca -0.05 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.45 3lo3 n PRO 59 Cb 0.63 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 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 -3.45 -0.54 0.32 2.55 1.04 -1.26 -4.07 113.70 108.29 3lo3 s SER 60 Ca 0.11 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.51 3lo3 s SER 60 Cb 0.15 0.84 0.91 0.00 0.10 0.00 0.00 66.02 68.02 3lo3 s SER 60 CO 0.47 -0.30 1.69 -0.09 0.98 0.00 0.00 173.24 175.99 3lo3 h ARG 61 N 3.82 0.39 0.52 4.02 2.43 -1.81 -1.64 114.38 122.11 3lo3 h ARG 61 Ca -0.26 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 3lo3 h ARG 61 Cb 1.16 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3lo3 h ARG 61 CO 0.19 0.26 -0.25 1.49 -1.51 0.00 0.00 179.97 180.14 3lo3 h GLU 62 N 0.40 -0.67 -0.98 0.20 4.57 -1.94 -0.27 114.58 115.89 3lo3 h GLU 62 Ca 0.65 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.97 3lo3 h GLU 62 Cb 1.36 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 30.03 3lo3 h GLU 62 CO -0.56 -0.40 0.63 -0.44 -1.18 0.00 0.00 179.01 177.06 3lo3 h ASP 63 N -0.83 0.94 -0.41 1.04 3.32 -1.73 0.45 116.42 119.21 3lo3 h ASP 63 Ca -0.07 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3lo3 h ASP 63 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3lo3 h ASP 63 CO 0.12 0.56 -0.05 0.00 -1.72 0.00 0.00 179.24 178.15 3lo3 h ALA 64 N 1.51 0.55 0.24 3.45 0.00 -1.21 -0.35 119.26 123.45 3lo3 h ALA 64 Ca 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3lo3 h ALA 64 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3lo3 h ALA 64 CO -0.21 0.38 -0.11 -0.92 0.00 0.00 0.00 179.25 178.39 3lo3 h TYR 65 N 0.57 -0.30 -0.81 0.00 3.20 -0.24 -2.51 116.97 116.88 3lo3 h TYR 65 Ca 0.11 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.11 3lo3 h TYR 65 Cb 0.55 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 3lo3 h TYR 65 CO 0.04 0.02 0.41 -0.91 -1.64 0.00 0.00 178.16 176.08 3lo3 h ASN 66 N -0.63 0.50 -0.78 -2.11 2.35 -0.14 -0.91 115.58 113.86 3lo3 h ASN 66 Ca -0.03 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3lo3 h ASN 66 Cb 0.45 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 3lo3 h ASN 66 CO 0.05 0.22 0.44 -0.25 -1.65 0.00 0.00 177.43 176.25 3lo3 h TRP 67 N 0.61 0.80 0.00 1.19 7.01 -0.94 -0.17 115.95 124.45 3lo3 h TRP 67 Ca 0.44 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.40 3lo3 h TRP 67 Cb 0.59 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 3lo3 h TRP 67 CO -0.10 0.35 -0.30 -0.92 -2.79 0.00 0.00 178.44 174.67 3lo3 h TYR 68 N 0.77 0.00 -0.60 2.65 3.20 -0.73 -2.90 116.97 119.35 3lo3 h TYR 68 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3lo3 h TYR 68 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3lo3 h TYR 68 CO -0.07 0.30 0.00 0.72 -1.64 0.00 0.00 178.16 177.48 3lo3 n HIS 69 N -3.39 1.50 -2.47 -3.82 8.25 -0.64 -4.52 115.22 110.14 3lo3 n HIS 69 Ca 0.00 -0.64 -0.40 0.00 -0.26 0.00 0.00 57.72 56.42 3lo3 n HIS 69 Cb 0.51 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3lo3 s SER 70 N -0.97 7.15 0.53 0.41 0.01 -0.17 -4.91 113.70 115.75 3lo3 s SER 70 Ca 0.50 2.25 0.26 0.00 1.31 0.00 0.00 55.95 60.27 3lo3 s SER 70 Cb 0.34 -2.62 1.50 0.00 0.21 0.00 0.00 66.02 65.45 3lo3 s SER 70 CO 0.22 -0.23 2.12 1.05 0.41 0.00 0.00 173.24 176.82 3lo3 h GLU 71 N 3.56 0.00 -0.28 12.44 4.11 -1.90 0.28 114.58 132.79 3lo3 h GLU 71 Ca -0.47 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 3lo3 h GLU 71 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3lo3 h GLU 71 CO 0.66 0.08 -0.05 0.93 0.07 0.00 0.00 179.01 180.71 3lo3 h GLU 72 N 0.00 0.53 0.05 1.06 3.07 -1.93 -2.06 114.58 115.30 3lo3 h GLU 72 Ca -0.00 -0.19 -0.25 0.00 -0.50 0.00 0.00 59.36 58.42 3lo3 h GLU 72 Cb 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3lo3 h GLU 72 CO 0.01 0.72 -1.22 -0.92 -1.40 0.00 0.00 179.01 176.20 3lo3 h TYR 73 N 0.29 0.19 -0.42 4.33 3.20 -1.76 -3.27 116.97 119.54 3lo3 h TYR 73 Ca 0.07 -0.14 0.10 0.00 3.14 0.00 0.00 58.73 61.90 3lo3 h TYR 73 Cb 0.52 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3lo3 h TYR 73 CO 0.05 1.13 0.29 1.96 -1.64 0.00 0.00 178.16 179.95 3lo3 h GLN 74 N 0.03 0.13 0.00 1.82 1.08 -0.43 -0.79 115.11 116.95 3lo3 h GLN 74 Ca -0.11 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3lo3 h GLN 74 Cb 1.89 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 3lo3 h GLN 74 CO 0.15 0.09 0.00 0.00 -0.95 0.00 0.00 178.83 178.11 3lo3 n ALA 75 N -2.58 2.59 0.84 3.87 0.00 -0.78 -2.65 120.51 121.81 3lo3 n ALA 75 Ca 0.06 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.42 3lo3 n ALA 75 Cb 0.40 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 1.91 0.04 0.00 4.77 -0.30 -4.73 117.00 117.71 3lo3 n LEU 76 Ca 0.21 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 3lo3 n LEU 76 Cb 0.10 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3lo3 n LEU 76 CO 0.16 0.36 0.53 0.40 -1.33 0.00 0.00 177.39 177.50 3lo3 h ILE 77 N 2.29 1.06 -0.49 -0.08 2.04 -1.58 0.77 117.51 121.52 3lo3 h ILE 77 Ca 0.00 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 64.91 3lo3 h ILE 77 Cb 0.66 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 3lo3 h ILE 77 CO 0.00 0.24 -0.05 -1.28 0.00 0.00 0.00 178.15 177.06 3lo3 h SER 78 N -0.69 -0.31 -0.41 1.72 0.87 -1.85 0.34 113.55 113.21 3lo3 h SER 78 Ca -0.02 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3lo3 h SER 78 Cb 0.52 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3lo3 h SER 78 CO 0.03 -0.11 0.05 0.00 -0.53 0.00 0.00 176.83 176.27 3lo3 h THR 79 N 0.06 1.25 -0.69 2.23 1.03 -1.88 -2.32 112.91 112.60 3lo3 h THR 79 Ca 0.25 -0.91 0.12 0.00 -0.01 0.00 0.00 66.41 65.86 3lo3 h THR 79 Cb 0.38 1.03 -0.13 0.00 -1.07 0.00 0.00 68.15 68.36 3lo3 h THR 79 CO -0.45 0.31 -0.32 -0.09 -0.01 0.00 0.00 175.52 174.96 3lo3 h ARG 80 N 0.54 -0.10 -0.87 0.00 2.43 0.11 0.16 114.38 116.64 3lo3 h ARG 80 Ca 0.12 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3lo3 h ARG 80 Cb 0.40 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3lo3 h ARG 80 CO 0.01 -0.07 0.52 -0.44 -1.51 0.00 0.00 179.97 178.49 3lo3 h ASP 81 N -0.11 1.06 0.60 -3.80 3.45 -0.20 0.22 116.42 117.63 3lo3 h ASP 81 Ca 0.28 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 3lo3 h ASP 81 Cb 0.56 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3lo3 h ASP 81 CO -0.75 0.82 -0.15 -0.07 -1.57 0.00 0.00 179.24 177.52 3lo3 h LEU 82 N 1.20 0.00 -0.17 1.55 3.38 -0.60 -3.39 115.31 117.29 3lo3 h LEU 82 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3lo3 h LEU 82 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3lo3 h LEU 82 CO -0.06 0.15 -0.32 0.61 0.09 0.00 0.00 178.44 178.91 3lo3 n GLY 83 N -0.35 -1.06 3.72 0.83 0.00 0.42 -3.45 105.19 105.30 3lo3 n GLY 83 Ca -0.01 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.79 5.76 0.14 1.61 1.11 -1.03 0.14 116.67 121.63 3lo3 s ASP 85 Ca 0.18 0.21 -0.15 0.00 0.18 0.00 0.00 52.55 52.96 3lo3 s ASP 85 Cb 0.19 -1.88 0.03 0.00 1.07 0.00 0.00 42.92 42.32 3lo3 s ASP 85 CO 0.60 0.29 0.41 -0.94 1.18 0.00 0.00 175.17 176.70 3lo3 s SER 86 N -0.31 -0.20 0.05 0.27 1.04 -1.26 -1.63 113.70 111.67 3lo3 s SER 86 Ca 0.09 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.17 3lo3 s SER 86 Cb -0.12 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3lo3 s SER 86 CO 0.02 -0.90 -0.19 0.00 0.98 0.00 0.00 173.24 173.14 3lo3 s GLN 87 N -3.84 2.00 -0.15 4.02 -2.07 -0.59 -4.97 119.66 114.05 3lo3 s GLN 87 Ca 0.06 -1.02 0.01 0.00 -1.82 0.00 0.00 55.36 52.59 3lo3 s GLN 87 Cb 0.01 -2.15 0.02 0.00 -1.09 0.00 0.00 33.01 29.81 3lo3 s GLN 87 CO -0.09 0.53 -0.18 -0.06 -1.32 0.00 0.00 175.29 174.18 3lo3 s PHE 88 N -0.93 2.45 -0.14 9.60 0.08 -1.26 -2.00 117.98 125.79 3lo3 s PHE 88 Ca 0.14 -1.36 -0.01 0.00 0.12 0.00 0.00 56.93 55.83 3lo3 s PHE 88 Cb -0.10 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3lo3 s PHE 88 CO 0.05 -0.69 -0.12 -0.65 -0.10 0.00 0.00 175.22 173.71 3lo3 s GLN 89 N 1.25 3.41 -0.24 0.44 1.11 0.15 -4.96 119.66 120.81 3lo3 s GLN 89 Ca 0.02 -0.67 -0.10 0.00 0.01 0.00 0.00 55.36 54.62 3lo3 s GLN 89 Cb -0.14 -2.67 -0.05 0.00 -1.01 0.00 0.00 33.01 29.15 3lo3 s GLN 89 CO -0.09 0.20 0.15 -1.17 0.01 0.00 0.00 175.29 174.39 3lo3 s LEU 90 N 0.40 4.01 -0.03 2.90 0.20 -1.26 -0.53 118.68 124.37 3lo3 s LEU 90 Ca -0.10 0.06 0.07 0.00 0.69 0.00 0.00 54.13 54.85 3lo3 s LEU 90 Cb -0.16 -2.08 -0.10 0.00 -0.43 0.00 0.00 46.19 43.42 3lo3 s LEU 90 CO 0.05 0.05 0.12 -0.38 -0.29 0.00 0.00 176.35 175.90 3lo3 n ILE 91 N 4.38 0.14 0.00 6.68 -0.00 0.03 -5.02 119.36 125.58 3lo3 n ILE 91 Ca -0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 3lo3 n ILE 91 Cb 0.52 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 3lo3 n ILE 91 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16