#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 4.18 -1.28 6.43 4.22 -1.26 -5.05 114.94 122.18 3lo3 s ASN 0 Ca 0.00 -1.15 -0.10 0.00 -2.14 0.00 0.00 52.86 49.47 3lo3 s ASN 0 Cb 0.00 -0.46 0.16 0.00 1.28 0.00 0.00 41.25 42.23 3lo3 s ASN 0 CO 0.00 -0.43 1.84 0.00 -2.04 0.00 0.00 177.10 176.47 3lo3 n ALA 1 N -1.07 5.16 -1.70 3.54 0.00 -1.26 -4.98 120.51 120.19 3lo3 n ALA 1 Ca -0.03 -4.28 -0.43 0.00 0.00 0.00 0.00 53.44 48.70 3lo3 n ALA 1 Cb 0.65 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 3lo3 n ALA 1 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3lo3 n THR 2 N 3.63 1.20 -4.27 0.00 5.66 -1.26 -4.30 114.28 114.94 3lo3 n THR 2 Ca 0.40 -0.30 -0.24 0.00 -3.05 0.00 0.00 64.05 60.86 3lo3 n THR 2 Cb 0.37 -1.64 -0.08 0.00 -1.55 0.00 0.00 70.33 67.44 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3lo3 s ALA 3 N -0.27 3.27 -0.00 1.79 0.00 -0.25 -4.89 121.76 121.41 3lo3 s ALA 3 Ca 0.64 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 3lo3 s ALA 3 Cb -0.59 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 3lo3 s ALA 3 CO 0.52 0.09 0.02 0.71 0.00 0.00 0.00 175.76 177.10 3lo3 s TYR 4 N -2.47 0.04 -0.18 0.00 2.02 0.54 -0.81 117.35 116.50 3lo3 s TYR 4 Ca 0.35 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.96 3lo3 s TYR 4 Cb -0.02 -0.04 -0.01 0.00 -0.40 0.00 0.00 41.96 41.50 3lo3 s TYR 4 CO 0.20 -0.07 -0.11 0.42 -1.57 0.00 0.00 175.55 174.43 3lo3 s ILE 5 N -0.41 3.00 -0.29 2.71 1.01 -0.06 -1.32 121.20 125.83 3lo3 s ILE 5 Ca -0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 3lo3 s ILE 5 Cb -0.03 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3lo3 s ILE 5 CO -0.00 0.48 0.12 -0.63 0.00 0.00 0.00 174.94 174.91 3lo3 s ILE 6 N 1.02 4.39 -0.05 2.92 1.01 -0.11 -0.16 121.20 130.21 3lo3 s ILE 6 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3lo3 s ILE 6 Cb -0.15 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3lo3 s ILE 6 CO -0.02 0.13 0.05 0.54 0.00 0.00 0.00 174.94 175.64 3lo3 s VAL 7 N 1.59 4.60 -0.13 2.92 0.11 0.32 -0.80 120.40 129.01 3lo3 s VAL 7 Ca 0.04 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 3lo3 s VAL 7 Cb -0.17 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 3lo3 s VAL 7 CO 0.05 0.49 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.27 3lo3 s GLY 8 N -1.30 1.40 0.09 6.54 0.00 -0.01 -1.35 107.32 112.69 3lo3 s GLY 8 Ca 0.18 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.91 3lo3 s GLY 8 CO 0.08 -0.15 -0.08 0.48 0.00 0.00 0.00 173.10 173.43 3lo3 s LEU 9 N 0.58 2.44 -0.15 0.66 -0.00 0.31 -0.67 118.68 121.85 3lo3 s LEU 9 Ca -0.11 -0.88 -0.02 0.00 -0.00 0.00 0.00 54.13 53.12 3lo3 s LEU 9 Cb -0.16 -0.15 0.05 0.00 -0.00 0.00 0.00 46.19 45.92 3lo3 s LEU 9 CO 0.03 -0.37 0.03 -0.89 -0.00 0.00 0.00 176.35 175.15 3lo3 s THR 10 N -2.92 0.43 0.32 5.48 2.01 0.17 -1.54 115.64 119.59 3lo3 s THR 10 Ca 0.06 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 3lo3 s THR 10 Cb 0.00 -0.81 -0.11 0.00 0.01 0.00 0.00 72.50 71.59 3lo3 s THR 10 CO -0.03 -0.03 1.52 -2.84 -0.69 0.00 0.00 174.62 172.55 3lo3 s PRO 11 N 1.92 4.15 0.00 4.92 0.02 -1.26 -1.09 135.00 143.65 3lo3 s PRO 11 Ca 0.02 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3lo3 s PRO 11 Cb -0.15 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3lo3 s PRO 11 CO -0.07 -0.54 0.00 1.63 -0.33 0.00 0.00 177.00 177.69 3lo3 n LYS 12 N 1.46 0.00 -3.53 5.54 5.02 0.39 -4.86 118.16 122.18 3lo3 n LYS 12 Ca 0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 3lo3 n LYS 12 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.29 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 0.08 5.97 0.43 4.39 -1.08 -1.13 -4.97 116.67 120.35 3lo3 s ASP 13 Ca 0.00 -0.67 0.10 0.00 -0.52 0.00 0.00 52.55 51.46 3lo3 s ASP 13 Cb 0.00 -2.11 0.94 0.00 -1.46 0.00 0.00 42.92 40.28 3lo3 s ASP 13 CO 0.00 -0.32 2.05 0.00 0.52 0.00 0.00 175.17 177.42 3lo3 h ALA 14 N 8.51 1.81 0.22 3.66 0.00 -1.91 -0.03 119.26 131.52 3lo3 h ALA 14 Ca -0.29 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3lo3 h ALA 14 Cb 1.14 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.82 3lo3 h ALA 14 CO 0.67 0.14 -1.44 1.05 0.00 0.00 0.00 179.25 179.67 3lo3 h GLU 15 N 0.47 0.47 -0.56 0.00 4.11 -1.96 -0.70 114.58 116.41 3lo3 h GLU 15 Ca 0.17 -0.80 -0.02 0.00 0.07 0.00 0.00 59.36 58.78 3lo3 h GLU 15 Cb 0.09 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3lo3 h GLU 15 CO -0.04 1.38 0.28 0.87 0.07 0.00 0.00 179.01 181.57 3lo3 h LYS 16 N 0.13 0.79 -0.30 1.06 6.56 -1.83 -2.55 116.57 120.42 3lo3 h LYS 16 Ca -0.23 -0.09 -0.07 0.00 -1.06 0.00 0.00 60.65 59.20 3lo3 h LYS 16 Cb 2.12 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 33.62 3lo3 h LYS 16 CO 0.25 0.61 -0.08 1.25 -2.06 0.00 0.00 179.45 179.42 3lo3 h LEU 17 N 0.79 0.59 -0.64 2.94 5.85 -0.87 -2.05 115.31 121.91 3lo3 h LEU 17 Ca 0.20 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3lo3 h LEU 17 Cb 0.07 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 3lo3 h LEU 17 CO -0.03 0.82 0.28 -0.61 -0.34 0.00 0.00 178.44 178.56 3lo3 h GLN 18 N 0.35 0.48 0.07 1.25 4.15 -0.96 -0.48 115.11 119.96 3lo3 h GLN 18 Ca 0.08 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3lo3 h GLN 18 Cb 0.57 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3lo3 h GLN 18 CO 0.03 0.31 -0.03 1.96 -1.93 0.00 0.00 178.83 179.17 3lo3 h GLN 19 N 0.49 -0.09 -0.15 1.69 4.20 -1.17 -1.39 115.11 118.69 3lo3 h GLN 19 Ca 0.32 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.06 3lo3 h GLN 19 Cb 0.36 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 3lo3 h GLN 19 CO -0.28 0.10 -0.33 -0.92 -0.67 0.00 0.00 178.83 176.73 3lo3 h TYR 20 N -0.26 -0.98 -0.94 2.96 3.20 -1.09 -2.39 116.97 117.48 3lo3 h TYR 20 Ca -0.01 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.13 3lo3 h TYR 20 Cb 0.22 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 3lo3 h TYR 20 CO -0.02 -0.31 0.63 0.78 -1.64 0.00 0.00 178.16 177.60 3lo3 h GLY 21 N -0.30 0.79 1.86 1.82 0.00 -0.91 0.20 103.07 106.53 3lo3 h GLY 21 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3lo3 h GLY 21 CO -0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.20 3lo3 n ALA 22 N -2.54 2.40 -0.05 3.60 0.00 -0.54 -3.77 120.51 119.61 3lo3 n ALA 22 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 3lo3 n ALA 22 Cb 0.78 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 3lo3 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lo3 n ARG 23 N -1.44 2.23 -0.18 0.00 1.74 0.64 -4.73 116.66 114.91 3lo3 n ARG 23 Ca 0.09 0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 3lo3 n ARG 23 Cb 0.32 -1.23 0.09 0.00 -1.02 0.00 0.00 32.46 30.62 3lo3 n ARG 23 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3lo3 h VAL 24 N 0.00 0.71 -0.56 1.55 -1.51 -1.50 -3.07 116.25 111.88 3lo3 h VAL 24 Ca -0.24 -0.10 0.10 0.00 -1.23 0.00 0.00 66.70 65.23 3lo3 h VAL 24 Cb 1.53 0.40 -0.11 0.00 -2.13 0.00 0.00 31.29 30.97 3lo3 h VAL 24 CO 0.01 0.05 -0.31 0.00 -1.23 0.00 0.00 177.57 176.09 3lo3 h ALA 25 N 1.42 -0.00 -0.46 5.19 0.00 -1.85 0.70 119.26 124.25 3lo3 h ALA 25 Ca 0.28 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.49 3lo3 h ALA 25 Cb 0.38 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3lo3 h ALA 25 CO -0.34 -0.65 0.34 0.66 0.00 0.00 0.00 179.25 179.26 3lo3 h SER 26 N -0.16 0.00 1.08 0.00 4.64 -1.87 0.74 113.55 117.98 3lo3 h SER 26 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 3lo3 h SER 26 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3lo3 h SER 26 CO -0.65 0.00 -0.43 0.71 -0.87 0.00 0.00 176.83 175.59 3lo3 h THR 27 N 0.00 0.88 0.37 2.95 1.35 0.30 -3.31 112.91 115.45 3lo3 h THR 27 Ca 0.22 -1.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 3lo3 h THR 27 Cb 0.90 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3lo3 h THR 27 CO -0.00 0.42 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.44 3lo3 h LEU 28 N 0.00 -0.42 -1.02 3.87 3.38 0.12 -3.26 115.31 117.99 3lo3 h LEU 28 Ca -0.00 -0.14 0.34 0.00 0.09 0.00 0.00 57.88 58.16 3lo3 h LEU 28 Cb 1.09 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 3lo3 h LEU 28 CO 0.06 -0.05 0.58 0.00 0.09 0.00 0.00 178.44 179.11 3lo3 h ALA 29 N -0.38 2.01 -0.75 1.53 0.00 -1.54 0.43 119.26 120.55 3lo3 h ALA 29 Ca -0.05 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3lo3 h ALA 29 Cb 0.53 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3lo3 h ALA 29 CO 0.08 -0.64 0.51 0.87 0.00 0.00 0.00 179.25 180.07 3lo3 h LYS 30 N 0.28 0.30 -0.13 0.00 1.79 -1.69 -1.65 116.57 115.47 3lo3 h LYS 30 Ca 0.75 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.20 3lo3 h LYS 30 Cb 1.77 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 3lo3 h LYS 30 CO -0.61 0.20 0.00 0.66 -1.08 0.00 0.00 179.45 178.61 3lo3 n TYR 31 N -4.45 0.36 -2.97 -1.35 4.01 0.15 -4.95 117.16 107.97 3lo3 n TYR 31 Ca 0.15 -0.81 -0.22 0.00 -0.16 0.00 0.00 57.90 56.86 3lo3 n TYR 31 Cb 0.61 -0.17 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.74 -6.01 -4.79 7.72 7.64 -0.62 -4.63 113.62 112.20 3lo3 n SER 32 Ca 0.14 -0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.40 3lo3 n SER 32 Cb 0.63 -4.83 -0.05 0.00 -1.01 0.00 0.00 64.21 58.94 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 -2.69 2.69 -0.03 0.23 0.00 -0.79 -4.31 107.32 102.42 3lo3 s GLY 33 Ca 0.28 0.60 -0.06 0.00 0.00 0.00 0.00 44.72 45.54 3lo3 s GLY 33 CO 0.35 1.00 0.14 1.85 0.00 0.00 0.00 173.10 176.44 3lo3 s GLU 34 N -2.51 0.32 -0.50 2.90 2.12 -0.44 -4.43 118.70 116.16 3lo3 s GLU 34 Ca 0.57 -0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.56 3lo3 s GLU 34 Cb -0.19 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.37 3lo3 s GLU 34 CO 0.24 -0.06 0.99 0.08 -0.54 0.00 0.00 175.26 175.96 3lo3 s VAL 35 N -0.61 4.36 0.13 3.70 1.01 -1.26 0.06 120.40 127.80 3lo3 s VAL 35 Ca -0.07 0.69 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 3lo3 s VAL 35 Cb -0.04 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.81 3lo3 s VAL 35 CO 0.01 -0.99 1.60 -0.07 0.00 0.00 0.00 175.10 175.64 3lo3 h LEU 36 N 10.92 0.71 -7.00 3.92 3.38 -1.14 -3.48 115.31 122.62 3lo3 h LEU 36 Ca -0.25 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.51 3lo3 h LEU 36 Cb 1.07 -0.19 -0.24 0.00 0.09 0.00 0.00 40.66 41.39 3lo3 h LEU 36 CO 1.07 0.82 0.51 0.54 0.09 0.00 0.00 178.44 181.47 3lo3 s VAL 37 N -5.11 0.00 -0.00 1.22 0.11 -1.15 -4.98 120.40 110.49 3lo3 s VAL 37 Ca -0.13 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 3lo3 s VAL 37 Cb 0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3lo3 s VAL 37 CO 0.79 0.00 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.91 3lo3 s LYS 38 N -0.71 0.91 0.00 1.54 1.02 -1.26 -1.09 119.74 120.15 3lo3 s LYS 38 Ca -0.01 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.53 3lo3 s LYS 38 Cb -0.02 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 3lo3 s LYS 38 CO -0.00 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 3lo3 n GLY 39 N 2.65 2.06 3.78 -3.33 0.00 -0.66 -5.01 105.19 104.68 3lo3 n GLY 39 Ca -0.14 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 5.39 -0.19 1.61 0.01 -1.26 -0.74 113.70 118.52 3lo3 s SER 40 Ca 0.00 1.95 -0.07 0.00 1.31 0.00 0.00 55.95 59.14 3lo3 s SER 40 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3lo3 s SER 40 CO 0.00 -1.44 0.06 -0.69 0.41 0.00 0.00 173.24 171.58 3lo3 s VAL 41 N -2.33 4.65 -0.21 3.43 1.01 -0.57 -4.86 120.40 121.51 3lo3 s VAL 41 Ca 0.66 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 3lo3 s VAL 41 Cb -0.19 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3lo3 s VAL 41 CO 0.39 0.44 0.15 -0.70 0.00 0.00 0.00 175.10 175.38 3lo3 s GLU 42 N 0.58 4.15 -0.12 2.72 2.12 -1.26 -4.98 118.70 121.91 3lo3 s GLU 42 Ca 0.03 -0.22 -0.24 0.00 0.36 0.00 0.00 54.97 54.89 3lo3 s GLU 42 Cb -0.13 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 3lo3 s GLU 42 CO 0.01 0.20 0.77 -1.14 -0.54 0.00 0.00 175.26 174.56 3lo3 s GLN 43 N 0.66 4.36 -0.16 4.30 2.00 -1.26 -4.93 119.66 124.62 3lo3 s GLN 43 Ca 0.08 0.95 -0.06 0.00 -2.00 0.00 0.00 55.36 54.34 3lo3 s GLN 43 Cb -0.12 -3.52 -0.23 0.00 0.80 0.00 0.00 33.01 29.94 3lo3 s GLN 43 CO 0.01 -0.16 0.19 1.28 -0.50 0.00 0.00 175.29 176.11 3lo3 n LEU 44 N 4.60 2.66 -3.68 3.68 4.77 -1.26 -5.00 117.00 122.78 3lo3 n LEU 44 Ca 0.02 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 3lo3 n LEU 44 Cb 0.50 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 3lo3 n LEU 44 CO 0.48 0.84 0.19 -2.28 -1.33 0.00 0.00 177.39 175.28 3lo3 s HIS 45 N -2.54 -0.43 0.00 -1.77 5.04 -1.26 -5.14 115.29 109.19 3lo3 s HIS 45 Ca -0.26 0.86 0.00 0.00 -1.54 0.00 0.00 55.06 54.12 3lo3 s HIS 45 Cb 0.07 0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.91 3lo3 s HIS 45 CO 0.71 -0.41 0.00 0.41 -2.34 0.00 0.00 174.74 173.11 3lo3 n GLY 46 N 1.68 0.30 3.29 1.59 0.00 -1.26 -4.89 105.19 105.91 3lo3 n GLY 46 Ca -0.18 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 3lo3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lo3 s LYS 47 N 0.00 1.14 -0.16 1.61 1.02 -1.26 -5.05 119.74 117.05 3lo3 s LYS 47 Ca 0.00 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 54.73 3lo3 s LYS 47 Cb 0.00 -1.39 0.07 0.00 -0.52 0.00 0.00 37.83 35.98 3lo3 s LYS 47 CO 0.00 0.32 0.36 0.12 -0.92 0.00 0.00 175.35 175.23 3lo3 s PHE 48 N -1.23 -0.57 -0.06 3.18 2.19 -1.26 -5.07 117.98 115.16 3lo3 s PHE 48 Ca 0.07 1.20 0.19 0.00 0.33 0.00 0.00 56.93 58.72 3lo3 s PHE 48 Cb -0.10 0.18 0.42 0.00 -1.31 0.00 0.00 43.02 42.22 3lo3 s PHE 48 CO 0.04 -0.36 1.61 0.93 1.83 0.00 0.00 175.22 179.27 3lo3 h GLU 49 N 7.61 0.00 -6.82 10.12 3.07 -2.00 -3.47 114.58 123.08 3lo3 h GLU 49 Ca -0.28 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.12 3lo3 h GLU 49 Cb 1.15 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.11 3lo3 h GLU 49 CO 0.24 0.36 -0.03 -1.01 -1.40 0.00 0.00 179.01 177.16 3lo3 s HIS 50 N -3.26 2.00 -0.19 4.33 3.76 -1.26 -4.99 115.29 115.68 3lo3 s HIS 50 Ca 0.03 -0.36 0.14 0.00 -0.15 0.00 0.00 55.06 54.72 3lo3 s HIS 50 Cb 0.08 -2.64 -0.24 0.00 1.11 0.00 0.00 32.58 30.90 3lo3 s HIS 50 CO 0.70 -1.18 0.11 1.63 -0.85 0.00 0.00 174.74 175.15 3lo3 n LYS 51 N -2.42 0.68 -3.83 1.40 4.76 -0.59 -4.93 118.16 113.23 3lo3 n LYS 51 Ca 0.13 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 3lo3 n LYS 51 Cb 0.60 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 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 -0.32 0.08 7.82 0.00 -0.99 -1.52 121.76 124.32 3lo3 s ALA 52 Ca -0.13 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3lo3 s ALA 52 Cb 0.07 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3lo3 s ALA 52 CO 0.79 -0.56 -0.12 -0.65 0.00 0.00 0.00 175.76 175.23 3lo3 s GLN 53 N -3.87 0.80 -0.01 0.00 -1.52 0.08 -0.53 119.66 114.62 3lo3 s GLN 53 Ca 0.06 -1.02 0.01 0.00 -1.95 0.00 0.00 55.36 52.46 3lo3 s GLN 53 Cb 0.04 -0.65 0.00 0.00 -0.22 0.00 0.00 33.01 32.18 3lo3 s GLN 53 CO -0.10 0.13 -0.03 0.08 -0.25 0.00 0.00 175.29 175.12 3lo3 s VAL 54 N -1.77 0.24 -0.12 1.09 1.01 -0.46 -1.65 120.40 118.74 3lo3 s VAL 54 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3lo3 s VAL 54 Cb -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 3lo3 s VAL 54 CO 0.01 0.08 -0.20 -0.63 0.00 0.00 0.00 175.10 174.36 3lo3 s ILE 55 N 0.04 2.39 -0.05 2.22 1.01 -0.25 -0.52 121.20 126.04 3lo3 s ILE 55 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3lo3 s ILE 55 Cb -0.03 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3lo3 s ILE 55 CO -0.00 0.54 -0.03 -0.76 0.00 0.00 0.00 174.94 174.69 3lo3 s LEU 56 N 0.48 3.40 -0.13 2.97 1.43 0.78 -0.52 118.68 127.08 3lo3 s LEU 56 Ca -0.13 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3lo3 s LEU 56 Cb -0.17 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3lo3 s LEU 56 CO 0.05 0.34 -0.20 -0.70 0.23 0.00 0.00 176.35 176.07 3lo3 s GLU 57 N -1.10 2.81 0.21 1.70 2.12 0.11 -0.88 118.70 123.66 3lo3 s GLU 57 Ca 0.15 -0.78 0.09 0.00 0.36 0.00 0.00 54.97 54.79 3lo3 s GLU 57 Cb -0.11 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 3lo3 s GLU 57 CO 0.05 -0.03 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.51 3lo3 s PHE 58 N 0.87 1.90 -0.59 5.30 0.08 0.01 -1.32 117.98 124.22 3lo3 s PHE 58 Ca -0.07 -0.48 0.19 0.00 0.12 0.00 0.00 56.93 56.70 3lo3 s PHE 58 Cb -0.15 -0.89 0.85 0.00 -0.57 0.00 0.00 43.02 42.26 3lo3 s PHE 58 CO -0.02 0.43 1.59 -2.30 -0.10 0.00 0.00 175.22 174.82 3lo3 n PRO 59 N -0.18 0.13 -3.82 0.24 -0.02 -1.26 -1.09 135.00 129.00 3lo3 n PRO 59 Ca -0.09 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 61.76 3lo3 n PRO 59 Cb 0.59 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -3.82 -0.10 0.24 2.55 1.04 -1.26 -4.32 113.70 108.03 3lo3 s SER 60 Ca 0.03 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 55.86 3lo3 s SER 60 Cb 0.08 0.63 0.23 0.00 0.10 0.00 0.00 66.02 67.05 3lo3 s SER 60 CO 0.30 -1.20 1.53 -0.09 0.98 0.00 0.00 173.24 174.75 3lo3 h ARG 61 N 2.00 0.00 -0.24 4.02 2.43 -1.88 -2.96 114.38 117.74 3lo3 h ARG 61 Ca -0.26 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 3lo3 h ARG 61 Cb 1.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 3lo3 h ARG 61 CO 0.32 0.70 -0.00 0.93 -1.51 0.00 0.00 179.97 180.40 3lo3 h GLU 62 N 0.00 0.07 -0.09 0.20 5.08 -1.96 -1.76 114.58 116.12 3lo3 h GLU 62 Ca -0.01 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 3lo3 h GLU 62 Cb 1.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3lo3 h GLU 62 CO 0.09 0.05 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.03 3lo3 h ASP 63 N 0.07 0.45 -0.51 1.42 3.32 -1.89 -0.09 116.42 119.19 3lo3 h ASP 63 Ca 0.11 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 3lo3 h ASP 63 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3lo3 h ASP 63 CO -0.19 1.00 0.12 0.00 -1.72 0.00 0.00 179.24 178.45 3lo3 h ALA 64 N 1.00 0.68 -0.15 3.45 0.00 -1.39 0.14 119.26 122.99 3lo3 h ALA 64 Ca -0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3lo3 h ALA 64 Cb 1.24 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3lo3 h ALA 64 CO 0.12 0.38 -0.67 -0.92 0.00 0.00 0.00 179.25 178.16 3lo3 h TYR 65 N 0.72 0.95 -0.92 0.00 3.20 -1.19 -2.75 116.97 116.98 3lo3 h TYR 65 Ca 0.16 -0.41 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 3lo3 h TYR 65 Cb 0.34 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3lo3 h TYR 65 CO 0.02 1.23 0.57 -0.91 -1.64 0.00 0.00 178.16 177.44 3lo3 h ASN 66 N 0.41 1.09 0.45 -2.11 2.35 -0.89 -1.67 115.58 115.21 3lo3 h ASN 66 Ca -0.04 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3lo3 h ASN 66 Cb 1.30 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3lo3 h ASN 66 CO 0.14 0.82 -0.33 -0.25 -1.65 0.00 0.00 177.43 176.16 3lo3 h TRP 67 N 1.26 -0.89 -0.44 1.19 7.01 -0.65 0.69 115.95 124.12 3lo3 h TRP 67 Ca 0.33 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.34 3lo3 h TRP 67 Cb -0.08 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 3lo3 h TRP 67 CO 0.00 -0.49 0.29 -0.92 -2.79 0.00 0.00 178.44 174.53 3lo3 h TYR 68 N -0.77 0.52 -0.16 2.65 3.20 -1.30 -0.42 116.97 120.68 3lo3 h TYR 68 Ca -0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3lo3 h TYR 68 Cb 0.66 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3lo3 h TYR 68 CO -0.14 0.32 0.00 0.72 -1.64 0.00 0.00 178.16 177.42 3lo3 n HIS 69 N -4.47 0.19 -1.27 -3.82 8.25 -0.64 -4.48 115.22 108.97 3lo3 n HIS 69 Ca 0.04 -0.09 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 3lo3 n HIS 69 Cb 0.08 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.29 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3lo3 n SER 70 N 1.16 0.62 -0.23 0.41 3.41 0.24 -4.86 113.62 114.36 3lo3 n SER 70 Ca 0.17 0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 59.35 3lo3 n SER 70 Cb 0.55 -1.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.10 3lo3 n SER 70 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3lo3 h GLU 71 N -0.49 0.91 0.00 4.33 4.81 -1.87 -2.41 114.58 119.86 3lo3 h GLU 71 Ca -0.47 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 3lo3 h GLU 71 Cb 1.32 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3lo3 h GLU 71 CO 0.46 0.69 -0.06 1.05 -0.73 0.00 0.00 179.01 180.43 3lo3 h GLU 72 N 0.88 0.00 0.08 1.92 9.09 -1.92 -3.04 114.58 121.60 3lo3 h GLU 72 Ca 0.23 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.34 3lo3 h GLU 72 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.14 3lo3 h GLU 72 CO -0.03 0.06 -1.53 -0.92 0.05 0.00 0.00 179.01 176.64 3lo3 h TYR 73 N 0.00 0.32 -0.04 2.06 3.20 -1.79 -3.35 116.97 117.36 3lo3 h TYR 73 Ca -0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 3lo3 h TYR 73 Cb 0.98 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 3lo3 h TYR 73 CO 0.00 1.29 -0.07 1.96 -1.64 0.00 0.00 178.16 179.70 3lo3 h GLN 74 N 0.05 0.06 0.00 1.82 1.08 -1.32 -1.27 115.11 115.53 3lo3 h GLN 74 Ca -0.23 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 56.88 3lo3 h GLN 74 Cb 1.99 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.39 3lo3 h GLN 74 CO 0.14 0.14 -0.37 0.00 -0.95 0.00 0.00 178.83 177.79 3lo3 h ALA 75 N 1.87 1.10 0.00 3.87 0.00 -1.66 -2.77 119.26 121.67 3lo3 h ALA 75 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3lo3 h ALA 75 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3lo3 h ALA 75 CO 0.01 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.00 3lo3 n LEU 76 N -3.68 0.00 0.18 0.00 4.32 -0.48 -4.19 117.00 113.15 3lo3 n LEU 76 Ca -0.01 0.47 -0.13 0.00 -0.02 0.00 0.00 56.01 56.32 3lo3 n LEU 76 Cb 0.47 -0.47 -0.08 0.00 -1.62 0.00 0.00 43.42 41.71 3lo3 n LEU 76 CO 0.37 -0.06 0.53 0.40 -1.22 0.00 0.00 177.39 177.40 3lo3 h ILE 77 N 0.00 0.60 -0.89 -0.08 2.04 -1.50 -0.11 117.51 117.57 3lo3 h ILE 77 Ca 0.00 -0.55 0.21 0.00 1.00 0.00 0.00 64.86 65.52 3lo3 h ILE 77 Cb 0.41 0.85 -0.16 0.00 -0.74 0.00 0.00 36.82 37.18 3lo3 h ILE 77 CO 0.00 0.10 -0.07 0.77 0.00 0.00 0.00 178.15 178.95 3lo3 h SER 78 N -0.81 -0.57 0.39 1.72 4.64 -1.78 0.45 113.55 117.58 3lo3 h SER 78 Ca -0.05 0.25 -0.19 0.00 -0.47 0.00 0.00 61.79 61.33 3lo3 h SER 78 Cb 0.53 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3lo3 h SER 78 CO 0.08 -0.28 -0.81 0.00 -0.87 0.00 0.00 176.83 174.95 3lo3 h THR 79 N 0.03 1.42 -0.19 2.95 1.03 -1.78 -3.08 112.91 113.30 3lo3 h THR 79 Ca 0.49 -2.35 0.03 0.00 -0.01 0.00 0.00 66.41 64.57 3lo3 h THR 79 Cb 0.88 2.28 -0.03 0.00 -1.07 0.00 0.00 68.15 70.21 3lo3 h THR 79 CO -0.85 0.69 -0.01 -0.09 -0.01 0.00 0.00 175.52 175.25 3lo3 h ARG 80 N 0.20 0.04 0.00 0.00 2.43 0.13 -1.65 114.38 115.54 3lo3 h ARG 80 Ca -0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3lo3 h ARG 80 Cb 1.41 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.95 3lo3 h ARG 80 CO 0.13 0.03 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.14 3lo3 h ASP 81 N 0.04 0.00 0.49 -3.80 3.32 -0.25 -1.37 116.42 114.86 3lo3 h ASP 81 Ca 0.09 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.84 3lo3 h ASP 81 Cb 0.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.68 3lo3 h ASP 81 CO -0.16 0.04 -1.41 -0.07 -1.72 0.00 0.00 179.24 175.92 3lo3 h LEU 82 N 0.00 0.49 0.00 1.55 3.38 -1.38 -3.42 115.31 115.93 3lo3 h LEU 82 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3lo3 h LEU 82 Cb 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3lo3 h LEU 82 CO 0.01 1.46 0.00 0.61 0.09 0.00 0.00 178.44 180.61 3lo3 n GLY 83 N 1.62 -1.02 3.67 0.83 0.00 -0.52 -2.85 105.19 106.93 3lo3 n GLY 83 Ca -0.13 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 5.40 0.25 1.61 -0.00 -0.25 0.15 116.67 121.30 3lo3 s ASP 85 Ca 0.22 0.13 -0.15 0.00 -0.00 0.00 0.00 52.55 52.75 3lo3 s ASP 85 Cb 0.15 -1.71 0.00 0.00 -0.00 0.00 0.00 42.92 41.37 3lo3 s ASP 85 CO 0.34 0.30 0.55 -0.94 -0.00 0.00 0.00 175.17 175.42 3lo3 s SER 86 N -0.42 -0.15 -0.03 0.27 1.04 -1.26 0.46 113.70 113.62 3lo3 s SER 86 Ca 0.08 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3lo3 s SER 86 Cb -0.12 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3lo3 s SER 86 CO 0.02 -1.19 -0.03 0.00 0.98 0.00 0.00 173.24 173.02 3lo3 s GLN 87 N -3.98 0.57 -0.23 4.02 -2.07 0.15 -4.96 119.66 113.16 3lo3 s GLN 87 Ca 0.18 -0.07 -0.00 0.00 -1.82 0.00 0.00 55.36 53.65 3lo3 s GLN 87 Cb -0.02 -0.63 0.03 0.00 -1.09 0.00 0.00 33.01 31.30 3lo3 s GLN 87 CO 0.08 -0.05 -0.10 -0.06 -1.32 0.00 0.00 175.29 173.84 3lo3 s PHE 88 N 0.70 3.03 -0.06 9.60 2.99 -1.26 -0.83 117.98 132.15 3lo3 s PHE 88 Ca -0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 56.93 55.18 3lo3 s PHE 88 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 43.02 40.86 3lo3 s PHE 88 CO -0.00 -0.76 -0.01 -0.65 -0.00 0.00 0.00 175.22 173.80 3lo3 s GLN 89 N 1.29 2.88 -0.35 0.44 1.11 0.02 -4.95 119.66 120.10 3lo3 s GLN 89 Ca 0.00 -0.49 -0.08 0.00 0.01 0.00 0.00 55.36 54.80 3lo3 s GLN 89 Cb -0.16 -2.72 0.03 0.00 -1.01 0.00 0.00 33.01 29.15 3lo3 s GLN 89 CO -0.06 0.67 0.13 -1.17 0.01 0.00 0.00 175.29 174.87 3lo3 s LEU 90 N -1.07 4.39 -0.18 2.90 2.96 -1.26 -0.94 118.68 125.48 3lo3 s LEU 90 Ca 0.15 -1.07 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 3lo3 s LEU 90 Cb -0.11 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3lo3 s LEU 90 CO 0.04 -0.33 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.10 3lo3 s ILE 91 N 1.45 3.99 0.00 6.68 -1.09 -0.44 -5.02 121.20 126.77 3lo3 s ILE 91 Ca -0.00 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3lo3 s ILE 91 Cb -0.19 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3lo3 s ILE 91 CO 0.04 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.81