#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 5.33 -1.17 6.43 4.22 -1.26 -5.03 114.94 123.46 3lo3 s ASN 0 Ca 0.00 -0.61 -0.10 0.00 -2.14 0.00 0.00 52.86 50.01 3lo3 s ASN 0 Cb 0.00 -0.55 0.23 0.00 1.28 0.00 0.00 41.25 42.20 3lo3 s ASN 0 CO 0.00 -0.75 1.42 0.00 -2.04 0.00 0.00 177.10 175.74 3lo3 n ALA 1 N -1.73 4.45 -1.53 3.54 0.00 -1.26 -5.00 120.51 118.98 3lo3 n ALA 1 Ca 0.06 -4.48 -0.47 0.00 0.00 0.00 0.00 53.44 48.55 3lo3 n ALA 1 Cb 0.60 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 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 3.26 1.63 -4.48 0.00 -1.04 -1.26 -4.26 114.28 108.15 3lo3 n THR 2 Ca 0.32 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 3lo3 n THR 2 Cb 0.39 -0.63 -0.10 0.00 -1.82 0.00 0.00 70.33 68.17 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 -0.78 2.71 0.00 2.41 0.00 -0.38 -4.80 121.76 120.92 3lo3 s ALA 3 Ca 0.65 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.70 3lo3 s ALA 3 Cb -0.83 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 3lo3 s ALA 3 CO 0.57 0.18 -0.02 0.71 0.00 0.00 0.00 175.76 177.19 3lo3 s TYR 4 N -2.62 0.17 -0.18 0.00 2.02 0.97 -1.10 117.35 116.61 3lo3 s TYR 4 Ca 0.30 -0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 56.91 3lo3 s TYR 4 Cb -0.02 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.41 3lo3 s TYR 4 CO 0.14 -0.01 -0.04 0.42 -1.57 0.00 0.00 175.55 174.49 3lo3 s ILE 5 N -0.12 3.65 -0.25 2.71 1.01 -0.04 -1.26 121.20 126.90 3lo3 s ILE 5 Ca -0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3lo3 s ILE 5 Cb -0.01 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3lo3 s ILE 5 CO -0.00 0.46 0.07 -0.63 0.00 0.00 0.00 174.94 174.84 3lo3 s ILE 6 N 0.83 4.34 -0.14 2.92 1.01 -0.47 -0.32 121.20 129.36 3lo3 s ILE 6 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 3lo3 s ILE 6 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3lo3 s ILE 6 CO 0.02 0.34 0.11 -0.69 0.00 0.00 0.00 174.94 174.72 3lo3 s VAL 7 N 1.61 5.28 -0.23 2.92 1.01 0.89 -1.52 120.40 130.36 3lo3 s VAL 7 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3lo3 s VAL 7 Cb -0.15 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.95 3lo3 s VAL 7 CO 0.04 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.74 3lo3 s GLY 8 N -0.53 1.48 0.17 4.51 0.00 0.24 -1.92 107.32 111.27 3lo3 s GLY 8 Ca 0.12 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.39 3lo3 s GLY 8 CO 0.02 0.59 -0.08 0.48 0.00 0.00 0.00 173.10 174.11 3lo3 s LEU 9 N 1.23 2.45 -0.18 0.66 -0.00 -0.55 -0.60 118.68 121.69 3lo3 s LEU 9 Ca -0.04 -1.06 -0.04 0.00 -0.00 0.00 0.00 54.13 52.99 3lo3 s LEU 9 Cb -0.18 -0.32 0.09 0.00 -0.00 0.00 0.00 46.19 45.78 3lo3 s LEU 9 CO -0.08 -0.38 0.24 -0.89 -0.00 0.00 0.00 176.35 175.25 3lo3 s THR 10 N -3.36 -0.37 0.42 5.48 2.01 -0.23 -1.94 115.64 117.66 3lo3 s THR 10 Ca 0.19 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 3lo3 s THR 10 Cb 0.03 -0.60 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 3lo3 s THR 10 CO 0.02 -0.09 1.29 -2.65 -0.69 0.00 0.00 174.62 172.51 3lo3 n PRO 11 N 5.33 1.99 0.00 4.92 -0.02 -1.26 -0.74 135.00 145.22 3lo3 n PRO 11 Ca -0.05 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3lo3 n PRO 11 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.05 0.00 -3.12 -0.52 5.02 -0.03 -4.80 118.16 114.76 3lo3 n LYS 12 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3lo3 n LYS 12 Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.34 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 1.00 6.39 0.30 4.39 -1.08 -1.16 -4.97 116.67 121.54 3lo3 s ASP 13 Ca 0.00 0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.03 3lo3 s ASP 13 Cb 0.00 -2.32 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 3lo3 s ASP 13 CO 0.00 -0.63 1.95 0.00 0.52 0.00 0.00 175.17 177.01 3lo3 h ALA 14 N 8.57 1.45 -0.17 3.66 0.00 -1.91 -1.02 119.26 129.83 3lo3 h ALA 14 Ca -0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3lo3 h ALA 14 Cb 1.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3lo3 h ALA 14 CO 0.84 0.47 -0.21 1.05 0.00 0.00 0.00 179.25 181.40 3lo3 h GLU 15 N 1.08 0.45 -0.71 0.00 4.11 -1.96 0.11 114.58 117.66 3lo3 h GLU 15 Ca 0.33 -0.25 0.02 0.00 0.07 0.00 0.00 59.36 59.53 3lo3 h GLU 15 Cb -0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3lo3 h GLU 15 CO -0.09 0.84 0.47 0.87 0.07 0.00 0.00 179.01 181.16 3lo3 h LYS 16 N 0.10 0.87 -0.14 1.06 1.79 -1.85 0.59 116.57 118.99 3lo3 h LYS 16 Ca 0.02 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 3lo3 h LYS 16 Cb 0.77 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3lo3 h LYS 16 CO 0.05 0.58 -0.54 1.25 -1.08 0.00 0.00 179.45 179.71 3lo3 h LEU 17 N 0.90 0.44 -0.11 2.94 6.46 -0.77 0.11 115.31 125.28 3lo3 h LEU 17 Ca 0.27 -0.23 -0.17 0.00 -0.12 0.00 0.00 57.88 57.64 3lo3 h LEU 17 Cb -0.01 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3lo3 h LEU 17 CO -0.07 0.89 -0.59 -0.61 -0.62 0.00 0.00 178.44 177.45 3lo3 h GLN 18 N 0.31 0.59 -0.28 1.25 -0.00 0.03 0.25 115.11 117.26 3lo3 h GLN 18 Ca 0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3lo3 h GLN 18 Cb 1.04 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.61 3lo3 h GLN 18 CO 0.09 1.11 0.17 1.96 0.00 0.00 0.00 178.83 182.17 3lo3 h GLN 19 N 0.22 0.37 -0.39 1.69 4.20 0.27 0.88 115.11 122.35 3lo3 h GLN 19 Ca -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.65 3lo3 h GLN 19 Cb 1.23 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3lo3 h GLN 19 CO 0.12 0.27 0.25 -0.92 -0.67 0.00 0.00 178.83 177.88 3lo3 h TYR 20 N 0.36 0.47 -0.28 2.96 3.20 -0.67 -2.05 116.97 120.94 3lo3 h TYR 20 Ca 0.10 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3lo3 h TYR 20 Cb -0.01 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3lo3 h TYR 20 CO -0.05 0.28 -0.03 0.78 -1.64 0.00 0.00 178.16 177.51 3lo3 h GLY 21 N 0.50 0.47 2.00 1.82 0.00 -0.33 -2.73 103.07 104.80 3lo3 h GLY 21 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3lo3 h GLY 21 CO -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 176.54 176.71 3lo3 h ALA 22 N 1.56 1.05 0.00 3.60 0.00 -0.08 -3.08 119.26 122.31 3lo3 h ALA 22 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3lo3 h ALA 22 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3lo3 h ALA 22 CO 0.01 0.04 -1.46 0.54 0.00 0.00 0.00 179.25 178.39 3lo3 n ARG 23 N -3.20 0.84 -0.01 0.00 1.74 -1.04 -4.69 116.66 110.29 3lo3 n ARG 23 Ca -0.01 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.85 3lo3 n ARG 23 Cb 0.24 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.09 -0.82 1.55 2.07 -1.44 -3.20 116.25 115.51 3lo3 h VAL 24 Ca 0.00 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 67.43 3lo3 h VAL 24 Cb 0.66 1.06 -0.16 0.00 -1.52 0.00 0.00 31.29 31.33 3lo3 h VAL 24 CO 0.00 0.08 -0.21 0.00 0.02 0.00 0.00 177.57 177.46 3lo3 h ALA 25 N 0.96 0.53 -0.85 1.67 0.00 -1.84 -0.16 119.26 119.57 3lo3 h ALA 25 Ca 0.04 0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.36 3lo3 h ALA 25 Cb 0.08 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3lo3 h ALA 25 CO -0.01 -0.41 0.55 1.03 0.00 0.00 0.00 179.25 180.42 3lo3 h SER 26 N -0.00 0.76 0.96 0.00 0.87 -1.89 -1.08 113.55 113.16 3lo3 h SER 26 Ca 0.39 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 3lo3 h SER 26 Cb 0.60 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3lo3 h SER 26 CO -0.84 0.46 -0.10 0.71 -0.53 0.00 0.00 176.83 176.52 3lo3 h THR 27 N 0.85 0.27 0.00 2.23 1.35 -1.14 -2.89 112.91 113.57 3lo3 h THR 27 Ca 0.39 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 3lo3 h THR 27 Cb 0.39 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3lo3 h THR 27 CO -0.16 0.10 -0.47 -0.07 -0.25 0.00 0.00 175.52 174.68 3lo3 h LEU 28 N 0.00 0.00 -0.74 3.87 3.38 -1.11 -3.39 115.31 117.32 3lo3 h LEU 28 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3lo3 h LEU 28 Cb 0.61 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3lo3 h LEU 28 CO 0.01 0.13 0.45 0.00 0.09 0.00 0.00 178.44 179.12 3lo3 h ALA 29 N 1.87 1.00 -0.07 1.53 0.00 -1.31 0.15 119.26 122.44 3lo3 h ALA 29 Ca -0.01 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3lo3 h ALA 29 Cb 1.11 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3lo3 h ALA 29 CO 0.01 0.18 -0.92 0.87 0.00 0.00 0.00 179.25 179.39 3lo3 h LYS 30 N 0.83 0.70 -0.71 0.00 1.57 -1.77 -2.87 116.57 114.33 3lo3 h LYS 30 Ca 0.32 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3lo3 h LYS 30 Cb 0.13 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3lo3 h LYS 30 CO -0.16 1.26 0.00 0.66 -0.57 0.00 0.00 179.45 180.65 3lo3 n TYR 31 N -3.88 0.17 -3.50 -1.35 4.01 -1.08 -4.85 117.16 106.68 3lo3 n TYR 31 Ca -0.09 -0.06 -0.24 0.00 -0.16 0.00 0.00 57.90 57.35 3lo3 n TYR 31 Cb 0.82 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.04 -3.08 -4.84 7.72 7.64 -0.77 -4.69 113.62 115.55 3lo3 n SER 32 Ca 0.03 -0.46 -0.30 0.00 1.01 0.00 0.00 58.87 59.15 3lo3 n SER 32 Cb 0.26 -2.58 0.07 0.00 -1.01 0.00 0.00 64.21 60.95 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 -2.75 1.63 -0.27 0.23 0.00 0.46 -4.36 107.32 102.25 3lo3 s GLY 33 Ca 0.44 -0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.66 3lo3 s GLY 33 CO 0.54 0.15 0.99 1.85 0.00 0.00 0.00 173.10 176.63 3lo3 s GLU 34 N -5.24 0.55 -0.11 2.90 2.12 0.08 -4.71 118.70 114.30 3lo3 s GLU 34 Ca 0.60 0.63 -0.24 0.00 0.36 0.00 0.00 54.97 56.31 3lo3 s GLU 34 Cb -0.13 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 3lo3 s GLU 34 CO 0.53 -0.07 0.77 0.08 -0.54 0.00 0.00 175.26 176.03 3lo3 s VAL 35 N 0.19 4.97 -0.18 3.70 1.01 -1.26 0.44 120.40 129.27 3lo3 s VAL 35 Ca 0.03 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 3lo3 s VAL 35 Cb -0.05 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 32.03 3lo3 s VAL 35 CO -0.05 0.15 0.23 0.18 0.00 0.00 0.00 175.10 175.61 3lo3 n LEU 36 N 4.41 2.18 -3.76 3.92 7.99 -0.24 -4.95 117.00 126.54 3lo3 n LEU 36 Ca 0.01 0.33 -0.13 0.00 -0.01 0.00 0.00 56.01 56.21 3lo3 n LEU 36 Cb 0.50 -1.01 -0.11 0.00 -0.11 0.00 0.00 43.42 42.69 3lo3 n LEU 36 CO 0.48 0.52 -0.01 0.54 -1.51 0.00 0.00 177.39 177.40 3lo3 s VAL 37 N -2.45 0.00 0.13 4.08 0.11 -1.25 -5.01 120.40 116.02 3lo3 s VAL 37 Ca -0.27 -0.04 0.09 0.00 -2.93 0.00 0.00 61.98 58.83 3lo3 s VAL 37 Cb 0.07 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3lo3 s VAL 37 CO 0.65 -0.02 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.66 3lo3 s LYS 38 N 0.06 1.23 0.00 1.54 1.02 -1.26 -1.36 119.74 120.97 3lo3 s LYS 38 Ca -0.01 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.69 3lo3 s LYS 38 Cb -0.02 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 3lo3 s LYS 38 CO 0.01 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3lo3 n GLY 39 N 0.72 2.69 3.54 -3.33 0.00 -0.62 -4.99 105.19 103.20 3lo3 n GLY 39 Ca -0.17 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 1.31 -0.10 1.61 0.01 -1.26 -1.08 113.70 114.18 3lo3 s SER 40 Ca 0.00 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.54 3lo3 s SER 40 Cb 0.00 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 3lo3 s SER 40 CO 0.00 -3.96 -0.17 -0.69 0.41 0.00 0.00 173.24 168.83 3lo3 s VAL 41 N -2.66 2.74 -0.18 3.43 1.01 -0.47 -4.72 120.40 119.54 3lo3 s VAL 41 Ca 0.68 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 3lo3 s VAL 41 Cb -0.21 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3lo3 s VAL 41 CO 0.61 0.55 -0.04 -0.70 0.00 0.00 0.00 175.10 175.52 3lo3 s GLU 42 N 0.13 3.54 -0.35 2.72 2.12 -1.26 -4.97 118.70 120.63 3lo3 s GLU 42 Ca -0.09 -0.57 -0.27 0.00 0.36 0.00 0.00 54.97 54.40 3lo3 s GLU 42 Cb -0.15 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.29 3lo3 s GLU 42 CO 0.05 0.05 1.01 -1.14 -0.54 0.00 0.00 175.26 174.69 3lo3 s GLN 43 N 0.87 3.95 -0.10 4.30 2.00 -1.26 -4.91 119.66 124.50 3lo3 s GLN 43 Ca -0.01 0.81 -0.15 0.00 -2.00 0.00 0.00 55.36 54.02 3lo3 s GLN 43 Cb -0.15 -3.78 -0.27 0.00 0.80 0.00 0.00 33.01 29.62 3lo3 s GLN 43 CO 0.01 -0.95 0.54 -0.07 -0.50 0.00 0.00 175.29 174.33 3lo3 h LEU 44 N 10.14 0.40 -8.02 3.68 3.38 -2.03 -3.48 115.31 119.39 3lo3 h LEU 44 Ca -0.22 -0.86 -0.17 0.00 0.09 0.00 0.00 57.88 56.72 3lo3 h LEU 44 Cb 1.07 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.49 3lo3 h LEU 44 CO 1.01 1.66 -0.70 -2.28 0.09 0.00 0.00 178.44 178.22 3lo3 s HIS 45 N -2.49 0.32 0.00 1.13 5.04 -1.26 -5.13 115.29 112.89 3lo3 s HIS 45 Ca -0.20 -0.58 0.00 0.00 -1.54 0.00 0.00 55.06 52.74 3lo3 s HIS 45 Cb 0.05 -0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.44 3lo3 s HIS 45 CO 0.77 -0.20 0.00 0.41 -2.34 0.00 0.00 174.74 173.38 3lo3 n GLY 46 N 1.45 0.90 3.40 1.59 0.00 -1.26 -4.85 105.19 106.42 3lo3 n GLY 46 Ca -0.23 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 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 1.45 -0.14 1.61 0.00 -1.26 -5.02 119.74 116.38 3lo3 s LYS 47 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 55.97 54.43 3lo3 s LYS 47 Cb 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 37.83 36.15 3lo3 s LYS 47 CO 0.00 0.37 0.31 0.12 0.00 0.00 0.00 175.35 176.16 3lo3 s PHE 48 N -1.69 -0.47 -0.27 1.78 5.36 -1.26 -5.07 117.98 116.37 3lo3 s PHE 48 Ca 0.19 1.03 0.23 0.00 -0.96 0.00 0.00 56.93 57.42 3lo3 s PHE 48 Cb -0.08 0.12 0.49 0.00 -0.34 0.00 0.00 43.02 43.21 3lo3 s PHE 48 CO 0.09 -0.31 1.65 1.05 -1.46 0.00 0.00 175.22 176.24 3lo3 h GLU 49 N 7.45 0.00 -6.84 10.12 4.11 -2.01 -3.46 114.58 123.95 3lo3 h GLU 49 Ca -0.33 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.64 3lo3 h GLU 49 Cb 1.15 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.46 3lo3 h GLU 49 CO 0.29 0.10 -0.02 -1.01 0.07 0.00 0.00 179.01 178.44 3lo3 s HIS 50 N -3.27 1.93 -0.17 2.06 3.76 -1.26 -5.03 115.29 113.31 3lo3 s HIS 50 Ca 0.05 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3lo3 s HIS 50 Cb 0.06 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3lo3 s HIS 50 CO 0.66 -1.23 0.17 0.36 -0.85 0.00 0.00 174.74 173.85 3lo3 n LYS 51 N -2.45 5.55 -4.13 1.40 2.85 -0.87 -4.98 118.16 115.54 3lo3 n LYS 51 Ca 0.13 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 3lo3 n LYS 51 Cb 0.60 -0.68 -0.09 0.00 -0.65 0.00 0.00 35.03 34.21 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 -1.26 0.75 0.02 0.58 0.00 -0.82 -1.37 121.76 119.66 3lo3 s ALA 52 Ca 0.01 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3lo3 s ALA 52 Cb 0.03 1.09 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3lo3 s ALA 52 CO 0.13 -0.59 -0.04 -0.65 0.00 0.00 0.00 175.76 174.61 3lo3 s GLN 53 N -4.08 0.35 0.03 0.00 -0.21 -0.24 -1.48 119.66 114.03 3lo3 s GLN 53 Ca 0.29 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 55.20 3lo3 s GLN 53 Cb 0.06 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 3lo3 s GLN 53 CO 0.06 0.01 -0.15 0.08 -2.12 0.00 0.00 175.29 173.17 3lo3 s VAL 54 N -1.05 1.20 -0.20 1.09 1.01 -0.81 -1.59 120.40 120.05 3lo3 s VAL 54 Ca -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3lo3 s VAL 54 Cb -0.08 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.29 3lo3 s VAL 54 CO -0.00 0.12 -0.13 -0.63 0.00 0.00 0.00 175.10 174.46 3lo3 s ILE 55 N -0.70 1.83 0.01 2.22 1.01 -0.47 -0.08 121.20 125.03 3lo3 s ILE 55 Ca 0.04 -1.09 -0.09 0.00 0.00 0.00 0.00 60.65 59.50 3lo3 s ILE 55 Cb -0.07 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3lo3 s ILE 55 CO 0.01 0.23 0.32 -0.76 0.00 0.00 0.00 174.94 174.74 3lo3 s LEU 56 N 1.32 4.39 -0.02 2.97 1.02 0.56 -1.08 118.68 127.84 3lo3 s LEU 56 Ca -0.01 0.69 0.07 0.00 0.02 0.00 0.00 54.13 54.90 3lo3 s LEU 56 Cb -0.16 -2.66 -0.02 0.00 0.02 0.00 0.00 46.19 43.37 3lo3 s LEU 56 CO -0.09 0.27 -0.23 -0.70 0.02 0.00 0.00 176.35 175.62 3lo3 s GLU 57 N -1.57 1.85 0.06 1.70 2.12 0.17 -0.86 118.70 122.18 3lo3 s GLU 57 Ca 0.27 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.81 3lo3 s GLU 57 Cb -0.14 -1.78 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 3lo3 s GLU 57 CO 0.14 0.48 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.20 3lo3 s PHE 58 N -0.50 0.79 -0.45 5.30 0.08 -0.25 -0.74 117.98 122.19 3lo3 s PHE 58 Ca 0.08 -0.64 0.24 0.00 0.12 0.00 0.00 56.93 56.73 3lo3 s PHE 58 Cb -0.09 -0.46 1.00 0.00 -0.57 0.00 0.00 43.02 42.90 3lo3 s PHE 58 CO -0.01 -0.09 1.73 -0.35 -0.10 0.00 0.00 175.22 176.40 3lo3 n PRO 59 N 0.92 0.21 -3.51 0.24 -0.04 -1.26 -1.25 135.00 130.31 3lo3 n PRO 59 Ca -0.19 0.43 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 3lo3 n PRO 59 Cb 0.57 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 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 -4.34 -0.64 0.52 3.54 1.04 -1.26 -4.07 113.70 108.49 3lo3 s SER 60 Ca 0.04 0.63 0.17 0.00 0.48 0.00 0.00 55.95 57.27 3lo3 s SER 60 Cb 0.09 0.54 1.30 0.00 0.10 0.00 0.00 66.02 68.05 3lo3 s SER 60 CO 0.41 -0.65 2.15 -0.09 0.98 0.00 0.00 173.24 176.04 3lo3 h ARG 61 N 2.90 0.00 -0.36 4.02 2.43 -1.84 -1.62 114.38 119.92 3lo3 h ARG 61 Ca -0.28 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 3lo3 h ARG 61 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3lo3 h ARG 61 CO 0.39 0.00 -0.04 0.93 -1.51 0.00 0.00 179.97 179.74 3lo3 h GLU 62 N 0.00 0.66 -0.51 0.20 5.08 -1.96 -1.63 114.58 116.42 3lo3 h GLU 62 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3lo3 h GLU 62 Cb 0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3lo3 h GLU 62 CO 0.00 0.79 0.26 -0.44 -1.00 0.00 0.00 179.01 178.63 3lo3 h ASP 63 N 0.46 0.64 0.20 1.42 3.32 -1.66 0.58 116.42 121.38 3lo3 h ASP 63 Ca 0.10 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3lo3 h ASP 63 Cb 0.52 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3lo3 h ASP 63 CO 0.03 0.57 -0.26 0.00 -1.72 0.00 0.00 179.24 177.85 3lo3 h ALA 64 N 1.10 -0.50 -0.39 3.45 0.00 -1.46 -0.53 119.26 120.94 3lo3 h ALA 64 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3lo3 h ALA 64 Cb 0.08 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3lo3 h ALA 64 CO -0.03 -0.82 0.22 -0.92 0.00 0.00 0.00 179.25 177.71 3lo3 h TYR 65 N -0.51 0.41 -0.18 0.00 3.20 -0.99 -2.63 116.97 116.26 3lo3 h TYR 65 Ca 0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3lo3 h TYR 65 Cb 0.50 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3lo3 h TYR 65 CO -0.20 0.23 0.09 -0.91 -1.64 0.00 0.00 178.16 175.73 3lo3 h ASN 66 N 0.44 0.24 -0.45 -2.11 2.35 -0.80 -2.25 115.58 113.01 3lo3 h ASN 66 Ca 0.16 -0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 3lo3 h ASN 66 Cb 0.03 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.24 3lo3 h ASN 66 CO -0.08 0.30 -0.41 -0.25 -1.65 0.00 0.00 177.43 175.34 3lo3 h TRP 67 N 0.17 -1.19 0.00 1.19 7.01 -0.93 0.78 115.95 122.98 3lo3 h TRP 67 Ca 0.06 0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 3lo3 h TRP 67 Cb 0.13 0.58 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 3lo3 h TRP 67 CO -0.02 -0.43 -0.13 -0.92 -2.79 0.00 0.00 178.44 174.15 3lo3 h TYR 68 N -0.29 0.00 -0.18 2.65 3.20 -1.13 0.14 116.97 121.36 3lo3 h TYR 68 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3lo3 h TYR 68 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3lo3 h TYR 68 CO -0.63 0.13 0.00 0.72 -1.64 0.00 0.00 178.16 176.74 3lo3 n HIS 69 N -4.16 0.22 -1.75 -3.82 8.25 -0.65 -4.47 115.22 108.84 3lo3 n HIS 69 Ca -0.02 -0.11 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 3lo3 n HIS 69 Cb 0.21 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.75 4.76 0.14 0.41 1.04 0.26 -4.80 113.70 113.78 3lo3 s SER 70 Ca 0.34 2.36 -0.18 0.00 0.48 0.00 0.00 55.95 58.95 3lo3 s SER 70 Cb 0.21 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.76 3lo3 s SER 70 CO 0.31 -1.88 1.74 -0.08 0.98 0.00 0.00 173.24 174.30 3lo3 h GLU 71 N 0.33 0.18 -0.49 4.02 4.81 -1.88 -0.40 114.58 121.16 3lo3 h GLU 71 Ca -0.49 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 3lo3 h GLU 71 Cb 1.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3lo3 h GLU 71 CO 0.53 0.12 0.04 0.93 -0.73 0.00 0.00 179.01 179.90 3lo3 h GLU 72 N 0.19 0.79 0.13 1.92 3.07 -1.92 -2.76 114.58 116.01 3lo3 h GLU 72 Ca 0.13 -0.19 -0.28 0.00 -0.50 0.00 0.00 59.36 58.52 3lo3 h GLU 72 Cb 0.13 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3lo3 h GLU 72 CO -0.16 0.77 -1.24 -0.92 -1.40 0.00 0.00 179.01 176.06 3lo3 h TYR 73 N 0.75 0.66 -0.75 4.33 3.20 -1.76 -3.17 116.97 120.24 3lo3 h TYR 73 Ca 0.15 -0.46 0.15 0.00 3.14 0.00 0.00 58.73 61.72 3lo3 h TYR 73 Cb 0.40 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3lo3 h TYR 73 CO 0.02 1.34 0.50 1.96 -1.64 0.00 0.00 178.16 180.34 3lo3 h GLN 74 N 0.13 0.36 -0.28 1.82 1.08 -0.84 -0.93 115.11 116.46 3lo3 h GLN 74 Ca -0.16 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3lo3 h GLN 74 Cb 1.94 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 3lo3 h GLN 74 CO 0.22 0.24 0.00 0.00 -0.95 0.00 0.00 178.83 178.34 3lo3 n ALA 75 N -2.53 2.53 0.26 3.87 0.00 -1.06 -2.38 120.51 121.19 3lo3 n ALA 75 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.42 3lo3 n ALA 75 Cb 0.56 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.14 0.26 -0.15 0.00 4.77 -0.35 -4.71 117.00 116.67 3lo3 n LEU 76 Ca 0.04 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 3lo3 n LEU 76 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3lo3 n LEU 76 CO 0.03 0.06 0.91 0.40 -1.33 0.00 0.00 177.39 177.47 3lo3 h ILE 77 N 0.00 1.21 -1.00 -0.08 2.04 -1.51 0.50 117.51 118.68 3lo3 h ILE 77 Ca 0.00 -0.69 0.15 0.00 1.00 0.00 0.00 64.86 65.32 3lo3 h ILE 77 Cb 0.22 0.84 -0.16 0.00 -0.74 0.00 0.00 36.82 36.98 3lo3 h ILE 77 CO 0.00 0.25 -0.40 -1.54 0.00 0.00 0.00 178.15 176.46 3lo3 n SER 78 N -4.58 -0.66 0.10 1.72 3.41 -1.26 -0.67 113.62 111.68 3lo3 n SER 78 Ca 0.01 1.74 -0.19 0.00 -0.26 0.00 0.00 58.87 60.17 3lo3 n SER 78 Cb 0.17 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 3lo3 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lo3 h THR 79 N 0.00 1.30 0.00 6.66 1.03 -1.75 -3.13 112.91 117.03 3lo3 h THR 79 Ca 0.34 -2.86 -0.01 0.00 -0.01 0.00 0.00 66.41 63.86 3lo3 h THR 79 Cb 0.59 2.90 -0.00 0.00 -1.07 0.00 0.00 68.15 70.57 3lo3 h THR 79 CO -0.99 0.85 -0.07 0.08 -0.01 0.00 0.00 175.52 175.38 3lo3 h ARG 80 N 0.09 0.00 -0.28 0.00 0.11 -0.27 0.96 114.38 114.99 3lo3 h ARG 80 Ca -0.21 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.70 3lo3 h ARG 80 Cb 2.04 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.12 3lo3 h ARG 80 CO 0.20 0.07 -0.49 -0.44 0.10 0.00 0.00 179.97 179.41 3lo3 h ASP 81 N 0.00 0.85 -0.22 0.08 3.32 -0.93 -2.23 116.42 117.30 3lo3 h ASP 81 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 3lo3 h ASP 81 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3lo3 h ASP 81 CO 0.01 1.19 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.60 3lo3 h LEU 82 N 0.61 0.54 -0.08 1.55 3.38 -1.29 -3.41 115.31 116.60 3lo3 h LEU 82 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3lo3 h LEU 82 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3lo3 h LEU 82 CO 0.11 0.65 -0.01 0.61 0.09 0.00 0.00 178.44 179.88 3lo3 n GLY 83 N -0.73 -1.02 3.73 0.83 0.00 0.26 -2.98 105.19 105.28 3lo3 n GLY 83 Ca 0.01 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.22 6.48 0.26 1.61 1.01 0.08 -0.85 116.67 123.04 3lo3 s ASP 85 Ca 0.39 0.57 -0.01 0.00 0.71 0.00 0.00 52.55 54.22 3lo3 s ASP 85 Cb 0.21 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 3lo3 s ASP 85 CO 0.41 0.10 0.26 -0.94 0.21 0.00 0.00 175.17 175.20 3lo3 s SER 86 N 0.40 0.61 -0.08 0.27 1.04 -1.26 -1.06 113.70 113.62 3lo3 s SER 86 Ca 0.18 -1.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 3lo3 s SER 86 Cb -0.13 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.52 3lo3 s SER 86 CO 0.05 -0.99 0.17 0.00 0.98 0.00 0.00 173.24 173.45 3lo3 s GLN 87 N -3.82 0.08 -0.17 4.02 -2.07 0.23 -4.96 119.66 112.98 3lo3 s GLN 87 Ca 0.36 0.49 -0.03 0.00 -1.82 0.00 0.00 55.36 54.36 3lo3 s GLN 87 Cb 0.04 -0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.73 3lo3 s GLN 87 CO 0.17 -0.23 -0.05 -0.06 -1.32 0.00 0.00 175.29 173.80 3lo3 s PHE 88 N 1.74 2.99 -0.12 9.60 2.99 -1.26 -0.59 117.98 133.32 3lo3 s PHE 88 Ca -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 56.93 56.48 3lo3 s PHE 88 Cb -0.12 -1.98 0.01 0.00 0.00 0.00 0.00 43.02 40.94 3lo3 s PHE 88 CO -0.06 -0.15 -0.20 -0.65 -0.00 0.00 0.00 175.22 174.16 3lo3 s GLN 89 N 0.58 2.76 -0.20 0.44 1.11 -0.58 -4.95 119.66 118.82 3lo3 s GLN 89 Ca -0.03 -0.76 -0.16 0.00 0.01 0.00 0.00 55.36 54.42 3lo3 s GLN 89 Cb -0.15 -2.22 -0.04 0.00 -1.01 0.00 0.00 33.01 29.59 3lo3 s GLN 89 CO 0.03 0.01 0.39 -1.17 0.01 0.00 0.00 175.29 174.55 3lo3 s LEU 90 N 0.77 4.15 -0.05 2.90 2.96 -1.26 -1.37 118.68 126.78 3lo3 s LEU 90 Ca -0.09 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3lo3 s LEU 90 Cb -0.16 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.05 3lo3 s LEU 90 CO 0.00 -0.07 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.26 3lo3 s ILE 91 N 1.30 0.75 0.00 6.68 1.01 -0.39 -5.04 121.20 125.51 3lo3 s ILE 91 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3lo3 s ILE 91 Cb -0.15 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.60 3lo3 s ILE 91 CO 0.08 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.89