#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 4.64 -1.13 6.43 4.22 -1.26 -5.03 114.94 122.81 3lo3 s ASN 0 Ca 0.00 -0.14 -0.09 0.00 -2.14 0.00 0.00 52.86 50.49 3lo3 s ASN 0 Cb 0.00 -0.41 0.27 0.00 1.28 0.00 0.00 41.25 42.39 3lo3 s ASN 0 CO 0.00 -1.64 1.16 0.00 -2.04 0.00 0.00 177.10 174.58 3lo3 n ALA 1 N -2.73 4.23 -1.62 3.54 0.00 -1.26 -5.03 120.51 117.64 3lo3 n ALA 1 Ca 0.12 -4.63 -0.46 0.00 0.00 0.00 0.00 53.44 48.47 3lo3 n ALA 1 Cb 0.60 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 2.84 1.29 -4.44 0.00 -1.04 -1.26 -4.19 114.28 107.49 3lo3 n THR 2 Ca 0.25 -0.32 -0.25 0.00 -2.04 0.00 0.00 64.05 61.70 3lo3 n THR 2 Cb 0.39 -1.16 -0.10 0.00 -1.82 0.00 0.00 70.33 67.64 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 -0.45 2.76 -0.00 2.41 0.00 0.14 -4.79 121.76 121.83 3lo3 s ALA 3 Ca 0.66 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3lo3 s ALA 3 Cb -0.72 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3lo3 s ALA 3 CO 0.54 0.32 -0.02 0.71 0.00 0.00 0.00 175.76 177.31 3lo3 s TYR 4 N -2.29 0.16 -0.17 0.00 2.02 0.20 -0.43 117.35 116.84 3lo3 s TYR 4 Ca 0.28 -0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.92 3lo3 s TYR 4 Cb -0.06 -0.12 -0.02 0.00 -0.40 0.00 0.00 41.96 41.36 3lo3 s TYR 4 CO 0.14 -0.01 -0.04 0.42 -1.57 0.00 0.00 175.55 174.50 3lo3 s ILE 5 N 0.01 3.76 -0.15 2.71 1.01 -0.56 -0.38 121.20 127.61 3lo3 s ILE 5 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3lo3 s ILE 5 Cb -0.01 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3lo3 s ILE 5 CO -0.00 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.74 3lo3 s ILE 6 N 0.62 3.88 -0.05 2.92 1.01 -0.48 -0.02 121.20 129.08 3lo3 s ILE 6 Ca -0.03 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.32 3lo3 s ILE 6 Cb -0.14 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3lo3 s ILE 6 CO 0.02 0.50 -0.25 0.54 0.00 0.00 0.00 174.94 175.76 3lo3 s VAL 7 N 0.30 2.01 -0.18 2.92 0.11 0.62 -1.35 120.40 124.83 3lo3 s VAL 7 Ca -0.04 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 3lo3 s VAL 7 Cb -0.14 -1.70 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 3lo3 s VAL 7 CO 0.03 0.56 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.46 3lo3 s GLY 8 N -0.25 1.61 0.06 6.54 0.00 -0.71 -0.77 107.32 113.80 3lo3 s GLY 8 Ca -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.72 3lo3 s GLY 8 CO 0.03 0.13 -0.07 0.48 0.00 0.00 0.00 173.10 173.67 3lo3 s LEU 9 N 0.89 2.35 -0.17 0.66 0.05 -0.45 -0.80 118.68 121.21 3lo3 s LEU 9 Ca -0.01 -0.73 -0.04 0.00 0.05 0.00 0.00 54.13 53.40 3lo3 s LEU 9 Cb -0.15 -0.09 0.06 0.00 -2.05 0.00 0.00 46.19 43.96 3lo3 s LEU 9 CO 0.01 -0.32 0.06 -0.89 -0.55 0.00 0.00 176.35 174.66 3lo3 s THR 10 N -2.29 0.17 0.30 5.48 2.01 0.79 -2.21 115.64 119.89 3lo3 s THR 10 Ca -0.02 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 3lo3 s THR 10 Cb -0.04 -0.74 -0.11 0.00 0.01 0.00 0.00 72.50 71.62 3lo3 s THR 10 CO -0.02 -0.21 1.59 -2.84 -0.69 0.00 0.00 174.62 172.45 3lo3 s PRO 11 N 2.02 4.12 0.00 4.92 0.02 -1.26 -1.23 135.00 143.58 3lo3 s PRO 11 Ca 0.01 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3lo3 s PRO 11 Cb -0.16 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3lo3 s PRO 11 CO -0.08 -0.63 0.00 1.63 -0.33 0.00 0.00 177.00 177.58 3lo3 n LYS 12 N 2.09 0.00 -2.20 5.54 5.02 0.45 -4.89 118.16 124.17 3lo3 n LYS 12 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 3lo3 n LYS 12 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.36 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3lo3 s ASP 13 N 0.61 6.45 0.15 4.39 -1.08 -1.21 -4.93 116.67 121.04 3lo3 s ASP 13 Ca 0.00 1.49 -0.18 0.00 -0.52 0.00 0.00 52.55 53.34 3lo3 s ASP 13 Cb 0.00 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.96 3lo3 s ASP 13 CO 0.00 -1.22 1.71 0.00 0.52 0.00 0.00 175.17 176.18 3lo3 h ALA 14 N 10.38 0.26 -0.03 3.66 0.00 -1.92 -1.28 119.26 130.33 3lo3 h ALA 14 Ca -0.32 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3lo3 h ALA 14 Cb 1.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3lo3 h ALA 14 CO 1.01 -0.41 -0.75 1.05 0.00 0.00 0.00 179.25 180.15 3lo3 h GLU 15 N 0.08 0.22 0.00 0.00 4.11 -1.97 -1.52 114.58 115.50 3lo3 h GLU 15 Ca 0.14 -0.20 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 3lo3 h GLU 15 Cb 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3lo3 h GLU 15 CO -0.24 0.87 -0.44 0.87 0.07 0.00 0.00 179.01 180.14 3lo3 h LYS 16 N 0.14 0.00 -0.21 1.06 1.79 -1.85 -0.10 116.57 117.41 3lo3 h LYS 16 Ca -0.03 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 3lo3 h LYS 16 Cb 1.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 3lo3 h LYS 16 CO 0.12 0.44 -0.52 1.25 -1.08 0.00 0.00 179.45 179.66 3lo3 h LEU 17 N 0.00 0.66 -0.18 2.94 6.46 -0.79 -2.58 115.31 121.81 3lo3 h LEU 17 Ca -0.00 -0.34 -0.15 0.00 -0.12 0.00 0.00 57.88 57.27 3lo3 h LEU 17 Cb 0.78 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 3lo3 h LEU 17 CO 0.06 1.06 -0.47 -0.61 -0.62 0.00 0.00 178.44 177.86 3lo3 h GLN 18 N 0.47 0.64 0.06 1.25 4.15 -0.77 -0.91 115.11 119.99 3lo3 h GLN 18 Ca 0.02 -0.44 0.02 0.00 0.77 0.00 0.00 58.65 59.01 3lo3 h GLN 18 Cb 1.06 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3lo3 h GLN 18 CO 0.10 1.06 -0.14 1.96 -1.93 0.00 0.00 178.83 179.88 3lo3 h GLN 19 N 0.31 -0.26 -0.20 1.69 4.20 -0.94 -1.18 115.11 118.74 3lo3 h GLN 19 Ca -0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3lo3 h GLN 19 Cb 1.08 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.87 3lo3 h GLN 19 CO 0.10 -0.17 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.03 3lo3 h TYR 20 N -0.27 -0.35 -0.76 2.96 3.20 -1.49 -2.46 116.97 117.80 3lo3 h TYR 20 Ca 0.03 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.10 3lo3 h TYR 20 Cb 0.30 0.18 -0.12 0.00 1.54 0.00 0.00 36.73 38.63 3lo3 h TYR 20 CO -0.17 -0.21 0.13 0.78 -1.64 0.00 0.00 178.16 177.05 3lo3 h GLY 21 N -0.14 1.02 1.91 1.82 0.00 -0.60 -1.63 103.07 105.45 3lo3 h GLY 21 Ca 0.12 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 3lo3 h GLY 21 CO -0.28 -0.26 -0.40 0.00 0.00 0.00 0.00 176.54 175.60 3lo3 h ALA 22 N 1.67 1.25 0.00 3.60 0.00 -0.75 -3.18 119.26 121.84 3lo3 h ALA 22 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3lo3 h ALA 22 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3lo3 h ALA 22 CO -0.58 0.54 -0.67 0.00 0.00 0.00 0.00 179.25 178.54 3lo3 h ARG 23 N 0.09 0.00 0.11 0.00 2.47 -1.15 -3.39 114.38 112.50 3lo3 h ARG 23 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3lo3 h ARG 23 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 3lo3 h ARG 23 CO 0.06 0.00 -0.05 -0.39 0.56 0.00 0.00 179.97 180.14 3lo3 h VAL 24 N 0.00 1.08 -0.42 2.04 -1.51 -1.49 -3.29 116.25 112.66 3lo3 h VAL 24 Ca 0.00 -0.83 0.04 0.00 -1.23 0.00 0.00 66.70 64.68 3lo3 h VAL 24 Cb 0.95 1.59 -0.05 0.00 -2.13 0.00 0.00 31.29 31.65 3lo3 h VAL 24 CO 0.00 0.20 -0.25 0.00 -1.23 0.00 0.00 177.57 176.29 3lo3 n ALA 25 N -2.37 -0.27 0.33 5.19 0.00 -1.26 0.88 120.51 123.01 3lo3 n ALA 25 Ca -0.09 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.86 3lo3 n ALA 25 Cb 0.23 -0.03 0.55 0.00 0.00 0.00 0.00 19.45 20.20 3lo3 n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3lo3 h SER 26 N 0.00 0.00 0.91 0.00 4.64 -1.85 -1.73 113.55 115.52 3lo3 h SER 26 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3lo3 h SER 26 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3lo3 h SER 26 CO -0.39 0.00 -0.27 0.71 -0.87 0.00 0.00 176.83 176.01 3lo3 h THR 27 N 0.00 0.64 0.00 2.95 1.35 0.42 -3.19 112.91 115.09 3lo3 h THR 27 Ca 0.00 -1.24 -0.22 0.00 -0.55 0.00 0.00 66.41 64.41 3lo3 h THR 27 Cb 0.54 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3lo3 h THR 27 CO 0.00 0.26 -0.92 -0.07 -0.25 0.00 0.00 175.52 174.54 3lo3 h LEU 28 N 0.00 0.42 -0.45 3.87 3.38 -0.94 -3.38 115.31 118.21 3lo3 h LEU 28 Ca -0.00 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.67 3lo3 h LEU 28 Cb 0.79 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3lo3 h LEU 28 CO 0.03 1.14 -0.31 0.00 0.09 0.00 0.00 178.44 179.40 3lo3 h ALA 29 N 0.83 -0.37 -0.97 1.53 0.00 -1.53 -0.31 119.26 118.44 3lo3 h ALA 29 Ca -0.07 0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.18 3lo3 h ALA 29 Cb 1.56 1.13 -0.14 0.00 0.00 0.00 0.00 17.79 20.33 3lo3 h ALA 29 CO 0.15 -0.57 0.49 1.57 0.00 0.00 0.00 179.25 180.89 3lo3 h LYS 30 N -0.06 0.32 -0.62 0.00 -0.00 -1.76 0.12 116.57 114.58 3lo3 h LYS 30 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.70 3lo3 h LYS 30 Cb 0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.40 3lo3 h LYS 30 CO -0.45 0.21 0.00 0.66 -0.00 0.00 0.00 179.45 179.87 3lo3 n TYR 31 N -5.07 1.09 -3.18 0.07 4.01 -0.18 -4.91 117.16 108.98 3lo3 n TYR 31 Ca 0.28 -0.43 -0.21 0.00 -0.16 0.00 0.00 57.90 57.39 3lo3 n TYR 31 Cb 0.87 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.69 -3.68 -4.84 7.72 7.64 0.42 -4.72 113.62 116.86 3lo3 n SER 32 Ca 0.18 -0.27 -0.33 0.00 1.01 0.00 0.00 58.87 59.47 3lo3 n SER 32 Cb 0.68 -3.06 -0.06 0.00 -1.01 0.00 0.00 64.21 60.76 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 -2.59 2.35 0.03 0.23 0.00 -0.93 -4.42 107.32 101.99 3lo3 s GLY 33 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3lo3 s GLY 33 CO 0.39 0.32 -0.04 -0.54 0.00 0.00 0.00 173.10 173.23 3lo3 s GLU 34 N -2.99 0.42 -0.45 2.90 2.02 -0.70 -4.59 118.70 115.30 3lo3 s GLU 34 Ca 0.55 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 54.52 3lo3 s GLU 34 Cb -0.10 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.20 3lo3 s GLU 34 CO 0.17 -0.04 0.91 0.08 0.02 0.00 0.00 175.26 176.40 3lo3 s VAL 35 N -1.95 4.49 -0.04 2.63 1.01 -1.26 -1.61 120.40 123.67 3lo3 s VAL 35 Ca -0.10 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 3lo3 s VAL 35 Cb -0.06 -4.42 -0.15 0.00 0.00 0.00 0.00 36.38 31.75 3lo3 s VAL 35 CO -0.02 -0.80 0.94 0.25 0.00 0.00 0.00 175.10 175.47 3lo3 h LEU 36 N 10.50 -0.24 -8.14 3.92 5.85 -1.42 -3.48 115.31 122.29 3lo3 h LEU 36 Ca -0.24 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.07 3lo3 h LEU 36 Cb 1.08 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 42.02 3lo3 h LEU 36 CO 1.02 0.26 -0.56 0.68 -0.34 0.00 0.00 178.44 179.50 3lo3 s VAL 37 N -3.71 0.17 -0.10 1.05 -7.23 -1.20 -4.98 120.40 104.39 3lo3 s VAL 37 Ca -0.13 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 3lo3 s VAL 37 Cb 0.01 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.40 3lo3 s VAL 37 CO 0.48 -0.75 0.25 -0.54 -0.31 0.00 0.00 175.10 174.22 3lo3 s LYS 38 N -3.93 0.22 0.00 4.82 1.02 -1.26 -1.79 119.74 118.82 3lo3 s LYS 38 Ca 0.10 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.58 3lo3 s LYS 38 Cb 0.07 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 3lo3 s LYS 38 CO -0.07 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 3lo3 n GLY 39 N 3.94 0.52 3.86 -3.33 0.00 -0.88 -5.03 105.19 104.28 3lo3 n GLY 39 Ca -0.23 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 6.64 -0.15 1.61 0.01 -1.26 -1.21 113.70 119.34 3lo3 s SER 40 Ca 0.00 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.27 3lo3 s SER 40 Cb 0.00 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 3lo3 s SER 40 CO 0.00 -0.26 0.27 -0.69 0.41 0.00 0.00 173.24 172.97 3lo3 s VAL 41 N -2.11 5.31 -0.20 3.43 1.01 0.43 -4.89 120.40 123.39 3lo3 s VAL 41 Ca 0.52 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 3lo3 s VAL 41 Cb -0.10 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3lo3 s VAL 41 CO 0.24 0.42 0.02 -0.70 0.00 0.00 0.00 175.10 175.08 3lo3 s GLU 42 N 0.25 3.71 -0.25 2.72 2.12 -1.26 -4.94 118.70 121.06 3lo3 s GLU 42 Ca 0.16 -0.47 -0.23 0.00 0.36 0.00 0.00 54.97 54.79 3lo3 s GLU 42 Cb -0.13 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 3lo3 s GLU 42 CO 0.04 0.08 0.74 -1.14 -0.54 0.00 0.00 175.26 174.43 3lo3 s GLN 43 N 0.85 4.15 -0.03 4.30 2.00 -1.26 -4.93 119.66 124.74 3lo3 s GLN 43 Ca 0.02 0.76 0.06 0.00 -2.00 0.00 0.00 55.36 54.20 3lo3 s GLN 43 Cb -0.14 -3.65 -0.24 0.00 0.80 0.00 0.00 33.01 29.78 3lo3 s GLN 43 CO 0.02 -0.47 0.71 -0.07 -0.50 0.00 0.00 175.29 174.98 3lo3 h LEU 44 N 9.05 0.14 -7.02 3.68 3.38 -2.02 -3.48 115.31 119.03 3lo3 h LEU 44 Ca -0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 3lo3 h LEU 44 Cb 1.11 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 3lo3 h LEU 44 CO 0.83 1.22 0.12 -2.28 0.09 0.00 0.00 178.44 178.42 3lo3 s HIS 45 N -2.61 -0.74 0.00 1.13 5.04 -1.26 -5.13 115.29 111.72 3lo3 s HIS 45 Ca -0.08 1.72 0.00 0.00 -1.54 0.00 0.00 55.06 55.16 3lo3 s HIS 45 Cb 0.08 0.29 0.00 0.00 0.04 0.00 0.00 32.58 32.98 3lo3 s HIS 45 CO 0.82 -0.41 0.00 0.41 -2.34 0.00 0.00 174.74 173.22 3lo3 n GLY 46 N 2.36 0.80 3.13 1.59 0.00 -1.26 -4.89 105.19 106.91 3lo3 n GLY 46 Ca -0.15 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.71 -0.24 1.61 -2.85 -1.26 -5.07 119.74 112.64 3lo3 s LYS 47 Ca 0.00 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 53.79 3lo3 s LYS 47 Cb 0.00 -0.30 0.09 0.00 -2.06 0.00 0.00 37.83 35.55 3lo3 s LYS 47 CO 0.00 0.03 0.56 0.12 0.10 0.00 0.00 175.35 176.16 3lo3 s PHE 48 N -2.50 -0.97 -1.40 1.78 5.36 -1.26 -5.05 117.98 113.94 3lo3 s PHE 48 Ca 0.02 1.86 0.29 0.00 -0.96 0.00 0.00 56.93 58.14 3lo3 s PHE 48 Cb -0.02 0.52 1.47 0.00 -0.34 0.00 0.00 43.02 44.64 3lo3 s PHE 48 CO -0.02 -0.51 2.01 -0.85 -1.46 0.00 0.00 175.22 174.40 3lo3 n GLU 49 N 4.79 0.39 -3.85 10.12 0.28 -1.26 -4.86 120.64 126.24 3lo3 n GLU 49 Ca -0.17 0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 56.62 3lo3 n GLU 49 Cb 0.54 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.60 2.68 -0.40 -1.84 3.76 -1.26 -4.97 115.29 110.66 3lo3 s HIS 50 Ca 0.27 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.78 3lo3 s HIS 50 Cb 0.20 -2.01 -0.13 0.00 1.11 0.00 0.00 32.58 31.75 3lo3 s HIS 50 CO 0.45 0.07 0.41 0.36 -0.85 0.00 0.00 174.74 175.18 3lo3 n LYS 51 N -1.37 2.82 -4.12 1.40 2.85 -1.00 -4.93 118.16 113.80 3lo3 n LYS 51 Ca 0.01 -0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 3lo3 n LYS 51 Cb 0.63 -1.06 -0.06 0.00 -0.65 0.00 0.00 35.03 33.89 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3lo3 s ALA 52 N -2.16 0.85 -0.05 0.58 0.00 -0.94 -0.43 121.76 119.61 3lo3 s ALA 52 Ca 0.02 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.35 3lo3 s ALA 52 Cb 0.08 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.45 3lo3 s ALA 52 CO 0.44 -0.75 0.23 -0.65 0.00 0.00 0.00 175.76 175.03 3lo3 s GLN 53 N -3.46 0.43 0.04 0.00 -0.21 -0.35 -1.34 119.66 114.76 3lo3 s GLN 53 Ca 0.32 0.00 0.06 0.00 0.02 0.00 0.00 55.36 55.77 3lo3 s GLN 53 Cb 0.01 0.19 -0.02 0.00 1.00 0.00 0.00 33.01 34.19 3lo3 s GLN 53 CO 0.18 -0.09 -0.17 0.08 -2.12 0.00 0.00 175.29 173.17 3lo3 s VAL 54 N -0.63 1.35 -0.25 1.09 1.01 0.05 -2.06 120.40 120.95 3lo3 s VAL 54 Ca -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3lo3 s VAL 54 Cb -0.04 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.21 3lo3 s VAL 54 CO 0.02 0.12 -0.09 -0.63 0.00 0.00 0.00 175.10 174.52 3lo3 s ILE 55 N -0.78 1.96 0.19 2.22 1.01 -0.74 -0.28 121.20 124.79 3lo3 s ILE 55 Ca 0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.03 3lo3 s ILE 55 Cb -0.08 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.18 3lo3 s ILE 55 CO 0.01 -0.08 0.58 -0.76 0.00 0.00 0.00 174.94 174.70 3lo3 s LEU 56 N 1.19 4.28 -0.06 2.97 1.02 0.96 -1.02 118.68 128.03 3lo3 s LEU 56 Ca -0.07 1.09 0.03 0.00 0.02 0.00 0.00 54.13 55.21 3lo3 s LEU 56 Cb -0.20 -3.46 0.00 0.00 0.02 0.00 0.00 46.19 42.56 3lo3 s LEU 56 CO -0.06 0.03 -0.15 -0.70 0.02 0.00 0.00 176.35 175.49 3lo3 s GLU 57 N -2.23 1.82 0.10 1.70 2.12 -0.63 -1.49 118.70 120.08 3lo3 s GLU 57 Ca 0.42 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.23 3lo3 s GLU 57 Cb -0.14 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 3lo3 s GLU 57 CO 0.20 0.15 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.92 3lo3 s PHE 58 N 0.31 0.98 -0.29 5.30 0.08 0.42 -1.73 117.98 123.05 3lo3 s PHE 58 Ca -0.09 -0.78 0.27 0.00 0.12 0.00 0.00 56.93 56.45 3lo3 s PHE 58 Cb -0.14 -0.54 0.89 0.00 -0.57 0.00 0.00 43.02 42.66 3lo3 s PHE 58 CO 0.03 -0.06 1.79 -1.35 -0.10 0.00 0.00 175.22 175.53 3lo3 h PRO 59 N 3.24 0.00 -2.76 0.24 0.11 -1.85 0.42 132.00 131.41 3lo3 h PRO 59 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 3lo3 h PRO 59 Cb 1.18 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 3lo3 h PRO 59 CO 0.59 0.00 0.09 -1.54 -0.21 0.00 0.00 178.00 176.92 3lo3 s SER 60 N -5.45 -0.48 0.42 -2.05 1.04 -1.26 -4.14 113.70 101.78 3lo3 s SER 60 Ca 0.05 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.74 3lo3 s SER 60 Cb 0.08 0.52 0.89 0.00 0.10 0.00 0.00 66.02 67.61 3lo3 s SER 60 CO 0.57 -0.76 2.06 -0.09 0.98 0.00 0.00 173.24 176.00 3lo3 h ARG 61 N 2.63 0.51 -0.68 4.02 2.43 -1.89 -2.10 114.38 119.30 3lo3 h ARG 61 Ca -0.31 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 3lo3 h ARG 61 Cb 1.23 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3lo3 h ARG 61 CO 0.41 0.34 0.21 0.93 -1.51 0.00 0.00 179.97 180.35 3lo3 h GLU 62 N 0.53 1.05 -0.18 0.20 5.08 -1.96 -1.87 114.58 117.43 3lo3 h GLU 62 Ca 0.15 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3lo3 h GLU 62 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3lo3 h GLU 62 CO -0.03 0.91 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.41 3lo3 h ASP 63 N 0.99 0.34 -0.85 1.42 3.32 -1.78 0.29 116.42 120.14 3lo3 h ASP 63 Ca 0.22 -0.36 0.17 0.00 0.02 0.00 0.00 57.03 57.08 3lo3 h ASP 63 Cb 0.29 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 3lo3 h ASP 63 CO -0.01 0.62 0.56 0.00 -1.72 0.00 0.00 179.24 178.69 3lo3 h ALA 64 N 0.73 2.10 0.12 3.45 0.00 -1.30 0.47 119.26 124.84 3lo3 h ALA 64 Ca 0.05 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 3lo3 h ALA 64 Cb 0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3lo3 h ALA 64 CO 0.02 -0.35 -1.47 -0.92 0.00 0.00 0.00 179.25 176.53 3lo3 h TYR 65 N 0.47 0.48 -0.01 0.00 3.20 -0.98 -3.22 116.97 116.91 3lo3 h TYR 65 Ca 0.43 -0.35 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3lo3 h TYR 65 Cb 0.97 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3lo3 h TYR 65 CO -0.00 1.57 -0.08 -0.91 -1.64 0.00 0.00 178.16 177.11 3lo3 h ASN 66 N -0.24 -0.22 -0.60 -2.11 2.35 -0.12 -1.95 115.58 112.70 3lo3 h ASN 66 Ca -0.31 0.04 0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3lo3 h ASN 66 Cb 1.81 0.10 -0.10 0.00 0.05 0.00 0.00 38.32 40.17 3lo3 h ASN 66 CO 0.08 -0.11 -0.04 -0.25 -1.65 0.00 0.00 177.43 175.45 3lo3 h TRP 67 N -0.13 -0.12 -0.64 1.19 7.01 -1.04 0.25 115.95 122.47 3lo3 h TRP 67 Ca 0.03 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3lo3 h TRP 67 Cb 0.17 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 3lo3 h TRP 67 CO -0.15 -0.19 0.38 -0.92 -2.79 0.00 0.00 178.44 174.78 3lo3 h TYR 68 N 0.08 0.84 -0.58 2.65 3.20 -1.50 -2.84 116.97 118.82 3lo3 h TYR 68 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3lo3 h TYR 68 Cb 0.49 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3lo3 h TYR 68 CO -0.40 0.56 0.00 0.72 -1.64 0.00 0.00 178.16 177.40 3lo3 n HIS 69 N -4.41 1.82 -3.10 -3.82 8.25 0.63 -4.50 115.22 110.09 3lo3 n HIS 69 Ca 0.06 -0.65 -0.32 0.00 -0.26 0.00 0.00 57.72 56.55 3lo3 n HIS 69 Cb 0.07 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.78 6.66 0.52 0.41 1.04 0.17 -4.94 113.70 116.78 3lo3 s SER 70 Ca 0.51 1.16 0.26 0.00 0.48 0.00 0.00 55.95 58.36 3lo3 s SER 70 Cb 0.37 -2.33 1.44 0.00 0.10 0.00 0.00 66.02 65.61 3lo3 s SER 70 CO 0.18 -0.24 2.09 1.05 0.98 0.00 0.00 173.24 177.30 3lo3 h GLU 71 N 1.97 0.00 0.33 4.02 4.11 -1.91 0.12 114.58 123.22 3lo3 h GLU 71 Ca -0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 3lo3 h GLU 71 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3lo3 h GLU 71 CO 0.65 0.11 -0.16 0.93 0.07 0.00 0.00 179.01 180.62 3lo3 h GLU 72 N 0.00 -0.42 -0.41 1.06 3.07 -1.93 -1.01 114.58 114.93 3lo3 h GLU 72 Ca -0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3lo3 h GLU 72 Cb 0.28 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3lo3 h GLU 72 CO 0.01 -0.09 0.06 -0.92 -1.40 0.00 0.00 179.01 176.67 3lo3 h TYR 73 N -0.87 0.64 -0.91 4.33 3.20 -1.75 -2.27 116.97 119.34 3lo3 h TYR 73 Ca -0.04 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 3lo3 h TYR 73 Cb 0.52 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3lo3 h TYR 73 CO 0.03 0.58 0.51 1.96 -1.64 0.00 0.00 178.16 179.60 3lo3 h GLN 74 N 0.61 1.26 0.00 1.82 1.08 -0.76 -0.80 115.11 118.33 3lo3 h GLN 74 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3lo3 h GLN 74 Cb 0.29 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3lo3 h GLN 74 CO 0.00 0.92 0.02 0.00 -0.95 0.00 0.00 178.83 178.82 3lo3 n ALA 75 N -2.41 1.00 0.77 3.87 0.00 -0.39 -1.39 120.51 121.97 3lo3 n ALA 75 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.76 3lo3 n ALA 75 Cb 0.09 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.99 0.77 -0.07 0.00 4.77 -0.31 -4.59 117.00 115.58 3lo3 n LEU 76 Ca -0.01 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.48 3lo3 n LEU 76 Cb 0.04 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3lo3 n LEU 76 CO 0.06 0.19 0.76 0.40 -1.33 0.00 0.00 177.39 177.48 3lo3 h ILE 77 N 0.00 0.56 -0.47 -0.08 1.08 -1.22 0.16 117.51 117.55 3lo3 h ILE 77 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 3lo3 h ILE 77 Cb 0.52 0.56 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 3lo3 h ILE 77 CO 0.00 0.00 0.05 0.28 -0.69 0.00 0.00 178.15 177.79 3lo3 h SER 78 N -0.10 -0.08 -0.48 1.72 0.02 -1.81 0.30 113.55 113.12 3lo3 h SER 78 Ca 0.15 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3lo3 h SER 78 Cb 0.33 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3lo3 h SER 78 CO -0.36 -0.01 0.07 0.74 -1.14 0.00 0.00 176.83 176.13 3lo3 h THR 79 N 0.18 1.25 -0.40 -2.27 2.02 -1.71 -2.74 112.91 109.24 3lo3 h THR 79 Ca 0.23 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3lo3 h THR 79 Cb 0.33 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3lo3 h THR 79 CO -0.34 0.33 0.02 -0.09 0.37 0.00 0.00 175.52 175.82 3lo3 h ARG 80 N 0.68 0.63 -0.00 6.66 2.43 0.83 -1.10 114.38 124.51 3lo3 h ARG 80 Ca 0.15 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 3lo3 h ARG 80 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3lo3 h ARG 80 CO 0.01 0.64 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.91 3lo3 h ASP 81 N 0.60 0.05 0.06 -3.80 5.19 -0.40 -2.48 116.42 115.65 3lo3 h ASP 81 Ca 0.13 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3lo3 h ASP 81 Cb 0.35 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3lo3 h ASP 81 CO 0.01 0.79 -0.40 -0.07 -3.12 0.00 0.00 179.24 176.46 3lo3 h LEU 82 N 0.03 0.46 -0.01 1.55 4.07 -1.12 -3.41 115.31 116.87 3lo3 h LEU 82 Ca -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3lo3 h LEU 82 Cb 1.35 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3lo3 h LEU 82 CO 0.10 0.82 -0.00 0.61 -1.08 0.00 0.00 178.44 178.88 3lo3 n GLY 83 N -0.09 -1.23 3.73 0.83 0.00 -0.46 -3.36 105.19 104.61 3lo3 n GLY 83 Ca -0.01 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.48 6.44 0.25 1.61 -0.00 -0.37 -0.41 116.67 121.71 3lo3 s ASP 85 Ca 0.31 0.52 -0.06 0.00 -0.00 0.00 0.00 52.55 53.32 3lo3 s ASP 85 Cb 0.21 -2.18 -0.02 0.00 -0.00 0.00 0.00 42.92 40.93 3lo3 s ASP 85 CO 0.45 0.11 0.35 -0.94 -0.00 0.00 0.00 175.17 175.14 3lo3 s SER 86 N 0.40 0.24 -0.04 0.27 1.04 -1.26 -0.15 113.70 114.21 3lo3 s SER 86 Ca 0.17 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 3lo3 s SER 86 Cb -0.13 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3lo3 s SER 86 CO 0.04 -1.06 0.06 0.00 0.98 0.00 0.00 173.24 173.26 3lo3 s GLN 87 N -3.87 -0.05 -0.28 4.02 -2.07 0.02 -4.98 119.66 112.44 3lo3 s GLN 87 Ca 0.30 0.32 -0.01 0.00 -1.82 0.00 0.00 55.36 54.15 3lo3 s GLN 87 Cb 0.02 -0.38 0.04 0.00 -1.09 0.00 0.00 33.01 31.60 3lo3 s GLN 87 CO 0.13 -0.26 -0.03 -0.06 -1.32 0.00 0.00 175.29 173.75 3lo3 s PHE 88 N 1.72 3.19 -0.16 9.60 2.99 -1.26 -1.75 117.98 132.31 3lo3 s PHE 88 Ca -0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 56.93 55.09 3lo3 s PHE 88 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 43.02 40.79 3lo3 s PHE 88 CO -0.03 -0.78 0.02 -0.65 -0.00 0.00 0.00 175.22 173.78 3lo3 s GLN 89 N 1.27 3.73 -0.16 0.44 1.11 -0.46 -4.95 119.66 120.65 3lo3 s GLN 89 Ca -0.03 -0.40 -0.13 0.00 0.01 0.00 0.00 55.36 54.80 3lo3 s GLN 89 Cb -0.19 -3.06 -0.05 0.00 -1.01 0.00 0.00 33.01 28.71 3lo3 s GLN 89 CO -0.03 0.34 0.27 -1.17 0.01 0.00 0.00 175.29 174.71 3lo3 s LEU 90 N 0.15 4.25 -0.13 2.90 2.96 -1.26 -1.38 118.68 126.16 3lo3 s LEU 90 Ca 0.02 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3lo3 s LEU 90 Cb -0.13 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.28 3lo3 s LEU 90 CO 0.01 0.12 0.04 -0.63 -1.32 0.00 0.00 176.35 174.58 3lo3 s ILE 91 N 0.39 0.26 0.00 6.68 1.01 0.49 -5.02 121.20 125.00 3lo3 s ILE 91 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3lo3 s ILE 91 Cb -0.13 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3lo3 s ILE 91 CO 0.03 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.56