#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 5.51 -1.01 6.43 4.22 -1.26 -5.05 114.94 123.78 3lo3 s ASN 0 Ca 0.00 -0.51 -0.11 0.00 -2.14 0.00 0.00 52.86 50.10 3lo3 s ASN 0 Cb 0.00 -0.59 0.25 0.00 1.28 0.00 0.00 41.25 42.19 3lo3 s ASN 0 CO 0.00 -0.77 1.00 0.00 -2.04 0.00 0.00 177.10 175.29 3lo3 s ALA 1 N -2.39 4.46 0.39 3.54 0.00 -1.26 -5.03 121.76 121.46 3lo3 s ALA 1 Ca 0.54 -3.62 -0.26 0.00 0.00 0.00 0.00 51.96 48.62 3lo3 s ALA 1 Cb -0.08 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 3lo3 s ALA 1 CO 0.32 -2.26 1.13 2.41 0.00 0.00 0.00 175.76 177.36 3lo3 n THR 2 N 3.27 2.37 -4.38 0.00 -1.04 -1.25 -3.86 114.28 109.39 3lo3 n THR 2 Ca 0.21 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.47 3lo3 n THR 2 Cb 0.42 -1.32 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 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 -1.20 3.05 0.01 2.41 0.00 0.49 -4.80 121.76 121.72 3lo3 s ALA 3 Ca 0.61 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3lo3 s ALA 3 Cb -0.56 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3lo3 s ALA 3 CO 0.58 0.18 -0.02 0.71 0.00 0.00 0.00 175.76 177.21 3lo3 s TYR 4 N -2.48 0.16 -0.10 0.00 2.02 -0.50 -0.61 117.35 115.85 3lo3 s TYR 4 Ca 0.32 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3lo3 s TYR 4 Cb -0.03 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.41 3lo3 s TYR 4 CO 0.18 -0.08 -0.16 0.42 -1.57 0.00 0.00 175.55 174.34 3lo3 s ILE 5 N -0.68 2.86 -0.15 2.71 1.01 0.43 -1.48 121.20 125.89 3lo3 s ILE 5 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3lo3 s ILE 5 Cb -0.05 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3lo3 s ILE 5 CO -0.00 0.55 -0.15 -0.63 0.00 0.00 0.00 174.94 174.71 3lo3 s ILE 6 N -0.01 2.68 -0.10 2.92 1.01 -0.47 -0.31 121.20 126.93 3lo3 s ILE 6 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3lo3 s ILE 6 Cb -0.14 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3lo3 s ILE 6 CO 0.04 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.70 3lo3 s VAL 7 N 0.80 3.35 -0.11 2.92 1.01 0.69 -1.56 120.40 127.49 3lo3 s VAL 7 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3lo3 s VAL 7 Cb -0.15 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3lo3 s VAL 7 CO 0.00 0.55 -0.05 -0.83 0.00 0.00 0.00 175.10 174.77 3lo3 s GLY 8 N -0.14 1.72 0.01 4.51 0.00 -0.97 -1.70 107.32 110.75 3lo3 s GLY 8 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 3lo3 s GLY 8 CO 0.03 -0.37 0.16 0.48 0.00 0.00 0.00 173.10 173.40 3lo3 s LEU 9 N -0.25 1.47 -0.18 0.66 -0.00 -0.61 -1.13 118.68 118.64 3lo3 s LEU 9 Ca 0.04 -0.20 0.01 0.00 -0.00 0.00 0.00 54.13 53.98 3lo3 s LEU 9 Cb -0.13 0.77 0.03 0.00 -0.00 0.00 0.00 46.19 46.86 3lo3 s LEU 9 CO 0.02 -0.40 -0.13 0.42 -0.00 0.00 0.00 176.35 176.26 3lo3 s THR 10 N -1.52 1.67 0.22 5.48 -4.23 0.61 -1.67 115.64 116.19 3lo3 s THR 10 Ca -0.14 -0.84 -0.32 0.00 -1.18 0.00 0.00 61.69 59.21 3lo3 s THR 10 Cb -0.07 -1.63 -0.13 0.00 1.34 0.00 0.00 72.50 72.01 3lo3 s THR 10 CO 0.01 0.34 1.60 -2.65 -0.54 0.00 0.00 174.62 173.38 3lo3 n PRO 11 N 4.71 2.46 0.00 3.99 -0.02 -1.26 -1.91 135.00 142.96 3lo3 n PRO 11 Ca -0.16 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3lo3 n PRO 11 Cb 0.48 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 3.04 0.00 -3.21 -0.52 5.02 0.26 -4.90 118.16 117.85 3lo3 n LYS 12 Ca 0.14 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.99 3lo3 n LYS 12 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.28 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 0.11 6.20 0.42 4.39 -1.08 -1.15 -4.95 116.67 120.61 3lo3 s ASP 13 Ca 0.00 -1.15 0.18 0.00 -0.52 0.00 0.00 52.55 51.06 3lo3 s ASP 13 Cb 0.00 -2.26 1.09 0.00 -1.46 0.00 0.00 42.92 40.29 3lo3 s ASP 13 CO 0.00 -0.87 1.84 0.00 0.52 0.00 0.00 175.17 176.66 3lo3 h ALA 14 N 8.96 2.23 0.21 3.66 0.00 -1.92 0.11 119.26 132.51 3lo3 h ALA 14 Ca -0.28 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 3lo3 h ALA 14 Cb 1.10 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.91 3lo3 h ALA 14 CO 0.97 -0.53 -1.34 1.05 0.00 0.00 0.00 179.25 179.39 3lo3 h GLU 15 N 0.40 0.54 -0.33 0.00 4.11 -1.97 -1.61 114.58 115.72 3lo3 h GLU 15 Ca 0.50 -0.86 0.07 0.00 0.07 0.00 0.00 59.36 59.14 3lo3 h GLU 15 Cb 1.25 0.31 -0.08 0.00 0.50 0.00 0.00 28.75 30.74 3lo3 h GLU 15 CO -0.20 1.41 -0.19 0.87 0.07 0.00 0.00 179.01 180.97 3lo3 h LYS 16 N 0.11 -0.14 -0.74 1.06 1.79 -1.66 -0.89 116.57 116.09 3lo3 h LYS 16 Ca -0.23 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.33 3lo3 h LYS 16 Cb 2.05 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 32.68 3lo3 h LYS 16 CO 0.25 -0.10 0.49 1.25 -1.08 0.00 0.00 179.45 180.26 3lo3 h LEU 17 N -0.15 0.65 -0.10 2.94 6.46 -0.79 0.11 115.31 124.43 3lo3 h LEU 17 Ca 0.17 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3lo3 h LEU 17 Cb 0.41 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3lo3 h LEU 17 CO -0.42 0.41 0.00 -0.61 -0.62 0.00 0.00 178.44 177.20 3lo3 h GLN 18 N 0.74 0.17 -0.11 1.25 4.15 -0.70 0.30 115.11 120.91 3lo3 h GLN 18 Ca 0.33 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.70 3lo3 h GLN 18 Cb 0.33 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3lo3 h GLN 18 CO -0.11 0.42 0.05 1.96 -1.93 0.00 0.00 178.83 179.22 3lo3 h GLN 19 N -0.10 0.11 0.18 1.69 4.20 0.15 0.61 115.11 121.94 3lo3 h GLN 19 Ca 0.03 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.74 3lo3 h GLN 19 Cb 0.35 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3lo3 h GLN 19 CO 0.00 0.07 -0.23 -0.92 -0.67 0.00 0.00 178.83 177.09 3lo3 h TYR 20 N 0.12 -0.61 -0.85 2.96 3.20 -0.79 -1.37 116.97 119.63 3lo3 h TYR 20 Ca 0.04 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.12 3lo3 h TYR 20 Cb 0.01 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3lo3 h TYR 20 CO -0.09 -0.34 0.57 0.78 -1.64 0.00 0.00 178.16 177.45 3lo3 h GLY 21 N -0.46 0.61 2.00 1.82 0.00 -0.09 -1.92 103.07 105.04 3lo3 h GLY 21 Ca 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3lo3 h GLY 21 CO -0.09 0.01 -0.41 0.00 0.00 0.00 0.00 176.54 176.05 3lo3 h ALA 22 N 1.62 1.18 -0.00 3.60 0.00 0.28 -3.26 119.26 122.68 3lo3 h ALA 22 Ca 0.43 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3lo3 h ALA 22 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3lo3 h ALA 22 CO -0.12 0.51 -0.40 0.54 0.00 0.00 0.00 179.25 179.78 3lo3 n ARG 23 N -3.85 2.86 0.02 0.00 1.74 -0.74 -4.70 116.66 111.99 3lo3 n ARG 23 Ca -0.01 -0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 56.68 3lo3 n ARG 23 Cb 0.47 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.51 1.19 -0.72 1.55 2.07 -1.55 -3.29 116.25 116.01 3lo3 h VAL 24 Ca 0.00 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3lo3 h VAL 24 Cb 0.31 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.57 3lo3 h VAL 24 CO 0.00 0.15 -0.49 0.00 0.02 0.00 0.00 177.57 177.25 3lo3 h ALA 25 N 0.72 -0.52 -1.01 1.67 0.00 -1.84 0.34 119.26 118.61 3lo3 h ALA 25 Ca -0.00 0.08 0.34 0.00 0.00 0.00 0.00 54.91 55.32 3lo3 h ALA 25 Cb 0.26 1.26 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 3lo3 h ALA 25 CO 0.00 -0.85 0.57 0.66 0.00 0.00 0.00 179.25 179.64 3lo3 h SER 26 N -0.08 0.48 0.10 0.00 4.64 -1.90 0.51 113.55 117.30 3lo3 h SER 26 Ca 0.12 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3lo3 h SER 26 Cb 0.38 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3lo3 h SER 26 CO -0.72 -0.18 0.00 0.35 -0.87 0.00 0.00 176.83 175.41 3lo3 n THR 27 N -5.07 0.14 -0.03 2.95 -2.24 0.12 -2.72 114.28 107.42 3lo3 n THR 27 Ca 0.33 0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 62.10 3lo3 n THR 27 Cb 1.04 -0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 3lo3 n THR 27 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3lo3 n LEU 28 N -1.09 0.44 -0.20 3.22 4.32 0.18 -4.54 117.00 119.34 3lo3 n LEU 28 Ca 0.13 0.20 -0.08 0.00 -0.02 0.00 0.00 56.01 56.24 3lo3 n LEU 28 Cb 0.09 0.24 0.05 0.00 -1.62 0.00 0.00 43.42 42.18 3lo3 n LEU 28 CO 0.12 0.31 0.84 0.00 -1.22 0.00 0.00 177.39 177.44 3lo3 h ALA 29 N 1.25 0.89 -0.98 -1.18 0.00 -1.59 -1.84 119.26 115.82 3lo3 h ALA 29 Ca -0.31 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.37 3lo3 h ALA 29 Cb 1.84 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 3lo3 h ALA 29 CO 0.04 0.66 0.63 -0.22 0.00 0.00 0.00 179.25 180.36 3lo3 h LYS 30 N 0.95 1.10 -0.30 0.00 3.64 -1.80 -2.34 116.57 117.82 3lo3 h LYS 30 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3lo3 h LYS 30 Cb 0.53 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3lo3 h LYS 30 CO 0.03 0.73 0.00 0.66 -2.27 0.00 0.00 179.45 178.59 3lo3 n TYR 31 N -4.50 0.38 -2.17 1.91 4.01 -0.98 -4.95 117.16 110.88 3lo3 n TYR 31 Ca 0.15 -0.19 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 3lo3 n TYR 31 Cb 0.19 0.00 -0.03 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 0.89 -5.09 -4.34 7.72 7.64 -0.87 -4.65 113.62 114.93 3lo3 n SER 32 Ca 0.17 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 3lo3 n SER 32 Cb 0.46 -4.34 0.20 0.00 -1.01 0.00 0.00 64.21 59.51 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 -2.17 1.58 -0.17 0.23 0.00 -0.75 -4.46 107.32 101.58 3lo3 s GLY 33 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 3lo3 s GLY 33 CO 0.00 0.05 0.83 -0.54 0.00 0.00 0.00 173.10 173.43 3lo3 s GLU 34 N -5.24 0.80 -0.52 2.90 2.02 -0.36 -4.77 118.70 113.53 3lo3 s GLU 34 Ca 0.68 0.48 -0.20 0.00 0.02 0.00 0.00 54.97 55.94 3lo3 s GLU 34 Cb -0.14 0.38 0.06 0.00 0.10 0.00 0.00 34.13 34.53 3lo3 s GLU 34 CO 0.56 -0.19 0.69 0.08 0.02 0.00 0.00 175.26 176.42 3lo3 s VAL 35 N -0.52 4.77 -0.47 2.63 1.01 -1.26 -0.82 120.40 125.73 3lo3 s VAL 35 Ca -0.04 -0.35 0.24 0.00 0.00 0.00 0.00 61.98 61.83 3lo3 s VAL 35 Cb -0.02 -4.35 0.21 0.00 0.00 0.00 0.00 36.38 32.22 3lo3 s VAL 35 CO 0.03 -0.88 1.47 0.17 0.00 0.00 0.00 175.10 175.89 3lo3 h LEU 36 N 9.98 0.00 -7.00 3.92 -0.00 -1.84 -3.47 115.31 116.90 3lo3 h LEU 36 Ca -0.27 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.67 3lo3 h LEU 36 Cb 1.09 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.52 3lo3 h LEU 36 CO 0.99 0.01 0.56 0.54 -0.00 0.00 0.00 178.44 180.55 3lo3 s VAL 37 N -3.22 0.00 0.06 0.15 0.11 -1.24 -5.03 120.40 111.23 3lo3 s VAL 37 Ca 0.06 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3lo3 s VAL 37 Cb 0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3lo3 s VAL 37 CO 0.69 0.00 0.11 -1.59 -3.33 0.00 0.00 175.10 170.98 3lo3 s LYS 38 N -1.13 0.70 0.00 1.54 -2.85 -1.26 -1.58 119.74 115.16 3lo3 s LYS 38 Ca -0.01 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 3lo3 s LYS 38 Cb -0.00 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 3lo3 s LYS 38 CO 0.01 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.68 3lo3 n GLY 39 N 0.27 2.38 3.80 0.59 0.00 -0.77 -5.00 105.19 106.46 3lo3 n GLY 39 Ca -0.16 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lo3 s SER 40 N 0.00 5.57 -0.21 1.61 0.01 -1.26 -0.90 113.70 118.52 3lo3 s SER 40 Ca 0.00 1.78 -0.09 0.00 1.31 0.00 0.00 55.95 58.96 3lo3 s SER 40 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3lo3 s SER 40 CO 0.00 -1.31 0.11 -0.69 0.41 0.00 0.00 173.24 171.75 3lo3 s VAL 41 N -2.61 5.10 -0.27 3.43 1.01 -0.75 -4.83 120.40 121.48 3lo3 s VAL 41 Ca 0.62 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 3lo3 s VAL 41 Cb -0.16 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3lo3 s VAL 41 CO 0.42 0.42 0.24 -0.70 0.00 0.00 0.00 175.10 175.49 3lo3 s GLU 42 N 0.60 3.98 -0.32 2.72 2.12 -1.26 -5.00 118.70 121.54 3lo3 s GLU 42 Ca 0.06 -0.20 -0.26 0.00 0.36 0.00 0.00 54.97 54.92 3lo3 s GLU 42 Cb -0.12 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3lo3 s GLU 42 CO 0.01 -0.19 0.95 -1.14 -0.54 0.00 0.00 175.26 174.35 3lo3 s GLN 43 N 1.79 4.00 -0.06 4.30 2.00 -1.26 -4.89 119.66 125.54 3lo3 s GLN 43 Ca 0.10 0.83 0.16 0.00 -2.00 0.00 0.00 55.36 54.44 3lo3 s GLN 43 Cb -0.16 -3.74 -0.22 0.00 0.80 0.00 0.00 33.01 29.69 3lo3 s GLN 43 CO 0.10 -0.81 0.52 1.28 -0.50 0.00 0.00 175.29 175.88 3lo3 n LEU 44 N 6.58 0.57 -3.59 3.68 4.77 -1.26 -4.98 117.00 122.77 3lo3 n LEU 44 Ca 0.08 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 3lo3 n LEU 44 Cb 0.48 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 3lo3 n LEU 44 CO 0.55 0.35 0.59 -2.28 -1.33 0.00 0.00 177.39 175.27 3lo3 s HIS 45 N -2.69 -0.58 0.00 -1.77 5.04 -1.26 -5.16 115.29 108.88 3lo3 s HIS 45 Ca -0.06 1.21 0.00 0.00 -1.54 0.00 0.00 55.06 54.67 3lo3 s HIS 45 Cb 0.08 0.37 0.00 0.00 0.04 0.00 0.00 32.58 33.07 3lo3 s HIS 45 CO 0.83 -0.40 0.00 0.41 -2.34 0.00 0.00 174.74 173.24 3lo3 n GLY 46 N 1.62 -1.70 3.56 1.59 0.00 -1.26 -4.91 105.19 104.08 3lo3 n GLY 46 Ca -0.14 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 2.63 -0.17 1.61 2.20 -1.26 -5.08 119.74 119.67 3lo3 s LYS 47 Ca 0.00 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 3lo3 s LYS 47 Cb 0.00 -2.51 0.08 0.00 -1.51 0.00 0.00 37.83 33.89 3lo3 s LYS 47 CO 0.00 0.64 0.33 0.12 -0.36 0.00 0.00 175.35 176.08 3lo3 s PHE 48 N -0.83 -0.60 -0.64 4.03 5.36 -1.26 -5.04 117.98 119.00 3lo3 s PHE 48 Ca 0.13 1.11 0.26 0.00 -0.96 0.00 0.00 56.93 57.47 3lo3 s PHE 48 Cb -0.11 0.07 0.83 0.00 -0.34 0.00 0.00 43.02 43.48 3lo3 s PHE 48 CO 0.02 -0.46 1.76 0.93 -1.46 0.00 0.00 175.22 176.02 3lo3 h GLU 49 N 8.24 0.00 -5.96 10.12 5.08 -2.01 -3.46 114.58 126.59 3lo3 h GLU 49 Ca -0.15 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.66 3lo3 h GLU 49 Cb 1.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 3lo3 h GLU 49 CO 0.15 0.00 -0.45 -1.01 -1.00 0.00 0.00 179.01 176.70 3lo3 s HIS 50 N -3.17 2.56 -0.17 4.33 3.76 -1.26 -4.96 115.29 116.39 3lo3 s HIS 50 Ca 0.09 -0.58 0.15 0.00 -0.15 0.00 0.00 55.06 54.57 3lo3 s HIS 50 Cb 0.11 -2.01 -0.24 0.00 1.11 0.00 0.00 32.58 31.55 3lo3 s HIS 50 CO 0.56 0.07 0.17 1.63 -0.85 0.00 0.00 174.74 176.31 3lo3 n LYS 51 N -1.35 0.68 -3.95 1.40 4.76 -0.67 -4.93 118.16 114.10 3lo3 n LYS 51 Ca -0.00 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 3lo3 n LYS 51 Cb 0.64 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 32.18 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 -2.51 0.03 -0.00 7.82 0.00 -1.05 -1.80 121.76 124.24 3lo3 s ALA 52 Ca -0.11 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.06 3lo3 s ALA 52 Cb 0.07 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 3lo3 s ALA 52 CO 0.81 -0.56 -0.22 -0.65 0.00 0.00 0.00 175.76 175.14 3lo3 s GLN 53 N -3.93 1.70 -0.02 0.00 -1.52 -0.08 -1.57 119.66 114.23 3lo3 s GLN 53 Ca 0.13 -0.82 0.07 0.00 -1.95 0.00 0.00 55.36 52.79 3lo3 s GLN 53 Cb 0.05 -1.68 -0.02 0.00 -0.22 0.00 0.00 33.01 31.13 3lo3 s GLN 53 CO -0.05 0.46 -0.24 0.08 -0.25 0.00 0.00 175.29 175.29 3lo3 s VAL 54 N -0.57 2.22 -0.20 1.09 1.01 -0.69 -1.85 120.40 121.41 3lo3 s VAL 54 Ca 0.08 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 3lo3 s VAL 54 Cb -0.08 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3lo3 s VAL 54 CO -0.00 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 3lo3 s ILE 55 N -0.64 2.74 -0.14 2.22 1.01 -0.62 -0.22 121.20 125.55 3lo3 s ILE 55 Ca 0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3lo3 s ILE 55 Cb -0.10 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3lo3 s ILE 55 CO -0.01 0.48 0.08 -0.76 0.00 0.00 0.00 174.94 174.72 3lo3 s LEU 56 N 1.39 3.96 -0.10 2.97 1.43 0.57 -2.32 118.68 126.58 3lo3 s LEU 56 Ca 0.05 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3lo3 s LEU 56 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3lo3 s LEU 56 CO -0.08 0.29 -0.12 -0.70 0.23 0.00 0.00 176.35 175.98 3lo3 s GLU 57 N -0.35 3.10 0.16 1.70 2.12 -0.00 -0.43 118.70 125.00 3lo3 s GLU 57 Ca 0.09 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.83 3lo3 s GLU 57 Cb -0.12 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 3lo3 s GLU 57 CO 0.02 0.38 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.93 3lo3 s PHE 58 N -0.08 1.47 0.38 5.30 0.08 0.22 -1.22 117.98 124.13 3lo3 s PHE 58 Ca -0.02 -0.63 0.38 0.00 0.12 0.00 0.00 56.93 56.79 3lo3 s PHE 58 Cb -0.14 -0.73 1.98 0.00 -0.57 0.00 0.00 43.02 43.57 3lo3 s PHE 58 CO 0.04 0.20 2.17 -1.35 -0.10 0.00 0.00 175.22 176.17 3lo3 h PRO 59 N 2.92 0.00 -2.13 0.24 0.11 -1.82 0.14 132.00 131.45 3lo3 h PRO 59 Ca -0.38 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.82 3lo3 h PRO 59 Cb 1.20 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 3lo3 h PRO 59 CO 0.59 0.00 0.47 -1.54 -0.21 0.00 0.00 178.00 177.31 3lo3 s SER 60 N -5.05 -0.39 0.29 -2.05 1.04 -1.25 -3.81 113.70 102.47 3lo3 s SER 60 Ca -0.03 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.56 3lo3 s SER 60 Cb 0.11 0.39 0.57 0.00 0.10 0.00 0.00 66.02 67.19 3lo3 s SER 60 CO 0.40 -0.57 1.84 -0.09 0.98 0.00 0.00 173.24 175.80 3lo3 h ARG 61 N 2.19 0.95 0.33 4.02 2.43 -1.79 -2.96 114.38 119.56 3lo3 h ARG 61 Ca -0.22 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3lo3 h ARG 61 Cb 1.22 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3lo3 h ARG 61 CO 0.32 0.63 -0.16 0.93 -1.51 0.00 0.00 179.97 180.18 3lo3 h GLU 62 N 0.98 -0.43 -0.78 0.20 4.39 -1.95 -0.81 114.58 116.17 3lo3 h GLU 62 Ca 0.49 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.38 3lo3 h GLU 62 Cb 0.50 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 3lo3 h GLU 62 CO -0.26 -0.22 0.52 -0.44 -1.16 0.00 0.00 179.01 177.45 3lo3 h ASP 63 N -0.55 0.39 -0.01 1.42 3.32 -1.87 0.10 116.42 119.22 3lo3 h ASP 63 Ca -0.05 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3lo3 h ASP 63 Cb 0.41 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3lo3 h ASP 63 CO 0.08 0.19 -0.36 0.00 -1.72 0.00 0.00 179.24 177.43 3lo3 h ALA 64 N 1.64 0.06 -0.11 3.45 0.00 -1.34 -1.62 119.26 121.34 3lo3 h ALA 64 Ca 0.39 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3lo3 h ALA 64 Cb 0.91 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3lo3 h ALA 64 CO -0.13 0.17 -0.14 -0.92 0.00 0.00 0.00 179.25 178.24 3lo3 h TYR 65 N -0.34 0.18 0.16 0.00 3.20 -0.51 -1.65 116.97 118.01 3lo3 h TYR 65 Ca -0.04 -0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.52 3lo3 h TYR 65 Cb 1.09 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.32 3lo3 h TYR 65 CO 0.16 0.32 -1.33 -0.91 -1.64 0.00 0.00 178.16 174.76 3lo3 h ASN 66 N 0.17 0.53 0.16 -2.11 2.35 -0.87 -2.89 115.58 112.92 3lo3 h ASN 66 Ca 0.03 -0.58 0.02 0.00 -0.55 0.00 0.00 56.30 55.22 3lo3 h ASN 66 Cb 0.35 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3lo3 h ASN 66 CO 0.02 1.46 -0.30 -0.25 -1.65 0.00 0.00 177.43 176.71 3lo3 h TRP 67 N 0.09 -0.82 -0.94 1.19 7.01 -0.93 0.20 115.95 121.75 3lo3 h TRP 67 Ca -0.17 0.02 0.12 0.00 2.11 0.00 0.00 58.89 60.97 3lo3 h TRP 67 Cb 2.03 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 29.34 3lo3 h TRP 67 CO 0.08 -0.41 0.56 -0.92 -2.79 0.00 0.00 178.44 174.96 3lo3 h TYR 68 N -0.55 1.02 -0.12 2.65 3.20 -1.33 -1.70 116.97 120.14 3lo3 h TYR 68 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3lo3 h TYR 68 Cb 0.56 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3lo3 h TYR 68 CO -0.26 0.37 0.00 0.72 -1.64 0.00 0.00 178.16 177.35 3lo3 n HIS 69 N -4.70 0.13 -1.03 -3.82 8.25 -1.09 -4.29 115.22 108.67 3lo3 n HIS 69 Ca 0.18 -0.06 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 3lo3 n HIS 69 Cb 0.37 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.83 3.46 0.12 0.41 1.04 0.67 -4.77 113.70 112.79 3lo3 s SER 70 Ca 0.34 2.33 -0.19 0.00 0.48 0.00 0.00 55.95 58.91 3lo3 s SER 70 Cb 0.20 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 3lo3 s SER 70 CO 0.31 -2.75 1.74 -0.08 0.98 0.00 0.00 173.24 173.44 3lo3 h GLU 71 N -1.09 0.32 0.21 4.02 4.81 -1.88 -0.41 114.58 120.55 3lo3 h GLU 71 Ca -0.46 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3lo3 h GLU 71 Cb 1.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3lo3 h GLU 71 CO 0.45 0.26 -0.26 0.93 -0.73 0.00 0.00 179.01 179.67 3lo3 h GLU 72 N 0.29 -0.50 -0.32 1.92 3.07 -1.93 -2.30 114.58 114.82 3lo3 h GLU 72 Ca 0.09 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3lo3 h GLU 72 Cb 0.02 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3lo3 h GLU 72 CO -0.02 -0.33 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.23 3lo3 h TYR 73 N -0.52 0.73 -0.73 4.33 3.20 -1.75 -2.11 116.97 120.12 3lo3 h TYR 73 Ca 0.01 -0.17 0.14 0.00 3.14 0.00 0.00 58.73 61.85 3lo3 h TYR 73 Cb 0.50 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3lo3 h TYR 73 CO -0.19 0.84 0.49 1.96 -1.64 0.00 0.00 178.16 179.62 3lo3 h GLN 74 N 0.41 0.39 0.00 1.82 1.08 -1.03 0.54 115.11 118.32 3lo3 h GLN 74 Ca 0.08 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3lo3 h GLN 74 Cb 0.62 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3lo3 h GLN 74 CO 0.04 0.26 0.00 0.00 -0.95 0.00 0.00 178.83 178.18 3lo3 n ALA 75 N -2.52 1.44 0.90 3.87 0.00 -0.79 -1.63 120.51 121.77 3lo3 n ALA 75 Ca 0.14 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3lo3 n ALA 75 Cb 0.51 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.56 0.60 0.03 0.00 4.77 0.18 -4.53 117.00 116.48 3lo3 n LEU 76 Ca 0.02 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3lo3 n LEU 76 Cb 0.12 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3lo3 n LEU 76 CO 0.10 0.11 0.33 0.40 -1.33 0.00 0.00 177.39 177.00 3lo3 h ILE 77 N 0.00 1.34 -0.22 -0.08 2.04 -1.39 0.44 117.51 119.66 3lo3 h ILE 77 Ca 0.00 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 63.84 3lo3 h ILE 77 Cb 0.56 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 3lo3 h ILE 77 CO 0.00 0.63 -0.17 0.28 0.00 0.00 0.00 178.15 178.89 3lo3 h SER 78 N 0.37 -0.56 0.08 1.72 0.02 -1.80 -1.23 113.55 112.15 3lo3 h SER 78 Ca -0.04 0.11 -0.20 0.00 -0.84 0.00 0.00 61.79 60.82 3lo3 h SER 78 Cb 1.33 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.15 3lo3 h SER 78 CO 0.14 -0.22 -0.76 0.00 -1.14 0.00 0.00 176.83 174.85 3lo3 h THR 79 N -0.18 1.33 -0.55 -2.27 1.03 -1.80 -3.01 112.91 107.47 3lo3 h THR 79 Ca 0.13 -2.08 0.11 0.00 -0.01 0.00 0.00 66.41 64.56 3lo3 h THR 79 Cb 0.37 2.07 -0.10 0.00 -1.07 0.00 0.00 68.15 69.41 3lo3 h THR 79 CO -0.32 0.64 -0.07 -0.09 -0.01 0.00 0.00 175.52 175.66 3lo3 h ARG 80 N 0.39 0.05 -0.20 0.00 2.43 -0.57 -1.20 114.38 115.29 3lo3 h ARG 80 Ca -0.04 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3lo3 h ARG 80 Cb 1.37 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3lo3 h ARG 80 CO 0.14 0.03 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.76 3lo3 h ASP 81 N 0.05 0.52 -0.71 -3.80 3.32 -1.21 -1.66 116.42 112.94 3lo3 h ASP 81 Ca 0.28 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3lo3 h ASP 81 Cb 0.43 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3lo3 h ASP 81 CO -0.52 0.89 0.47 -0.07 -1.72 0.00 0.00 179.24 178.29 3lo3 h LEU 82 N 0.40 0.80 -0.11 1.55 3.38 -1.31 -3.40 115.31 116.62 3lo3 h LEU 82 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3lo3 h LEU 82 Cb 0.92 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3lo3 h LEU 82 CO 0.08 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.79 3lo3 n GLY 83 N -1.43 -0.89 3.61 0.83 0.00 -0.49 -3.19 105.19 103.63 3lo3 n GLY 83 Ca 0.08 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.94 6.11 0.30 1.61 -0.00 -0.80 0.89 116.67 122.85 3lo3 s ASP 85 Ca 0.44 0.11 0.03 0.00 -0.00 0.00 0.00 52.55 53.13 3lo3 s ASP 85 Cb 0.21 -2.15 -0.04 0.00 -0.00 0.00 0.00 42.92 40.94 3lo3 s ASP 85 CO 0.34 -0.08 0.14 -0.94 -0.00 0.00 0.00 175.17 174.64 3lo3 s SER 86 N 1.62 1.57 -0.04 0.27 1.04 -1.26 -0.28 113.70 116.62 3lo3 s SER 86 Ca 0.10 -1.53 -0.01 0.00 0.48 0.00 0.00 55.95 54.99 3lo3 s SER 86 Cb -0.16 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.34 3lo3 s SER 86 CO 0.10 -0.85 0.07 0.00 0.98 0.00 0.00 173.24 173.54 3lo3 s GLN 87 N -3.85 0.00 -0.14 4.02 -2.07 -0.28 -4.98 119.66 112.36 3lo3 s GLN 87 Ca 0.35 0.26 -0.03 0.00 -1.82 0.00 0.00 55.36 54.12 3lo3 s GLN 87 Cb 0.05 -0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 31.71 3lo3 s GLN 87 CO 0.17 -0.18 -0.03 -0.06 -1.32 0.00 0.00 175.29 173.87 3lo3 s PHE 88 N 1.18 3.05 -0.02 9.60 2.99 -1.26 -2.28 117.98 131.24 3lo3 s PHE 88 Ca -0.08 -0.16 0.08 0.00 0.00 0.00 0.00 56.93 56.76 3lo3 s PHE 88 Cb -0.12 -1.91 -0.02 0.00 0.00 0.00 0.00 43.02 40.96 3lo3 s PHE 88 CO -0.04 0.10 -0.25 -0.65 -0.00 0.00 0.00 175.22 174.38 3lo3 s GLN 89 N 0.04 2.01 -0.15 0.44 1.11 -0.60 -4.95 119.66 117.55 3lo3 s GLN 89 Ca 0.01 -0.89 -0.04 0.00 0.01 0.00 0.00 55.36 54.44 3lo3 s GLN 89 Cb -0.13 -1.95 -0.03 0.00 -1.01 0.00 0.00 33.01 29.89 3lo3 s GLN 89 CO 0.02 0.53 -0.01 -1.17 0.01 0.00 0.00 175.29 174.68 3lo3 s LEU 90 N -0.60 3.41 -0.18 2.90 0.20 -1.26 -1.36 118.68 121.78 3lo3 s LEU 90 Ca 0.10 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.82 3lo3 s LEU 90 Cb -0.10 -1.83 0.06 0.00 -0.43 0.00 0.00 46.19 43.90 3lo3 s LEU 90 CO -0.01 0.19 0.07 -0.63 -0.29 0.00 0.00 176.35 175.69 3lo3 s ILE 91 N 0.24 0.10 0.00 6.68 1.01 -0.55 -5.02 121.20 123.66 3lo3 s ILE 91 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3lo3 s ILE 91 Cb -0.13 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3lo3 s ILE 91 CO 0.02 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.31