#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxn s THR 3 N 0.00 3.63 0.29 1.39 -4.23 -1.06 -1.20 115.64 114.45 1lxn s THR 3 Ca 0.00 -0.87 -0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1lxn s THR 3 Cb 0.00 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1lxn s THR 3 CO 0.00 0.33 0.65 0.00 -0.54 0.00 0.00 174.62 175.05 1lxn s ALA 4 N -1.06 -0.80 -0.02 3.99 0.00 -0.35 -0.46 121.76 123.07 1lxn s ALA 4 Ca 0.19 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1lxn s ALA 4 Cb -0.11 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1lxn s ALA 4 CO 0.09 -0.97 -0.03 -2.00 0.00 0.00 0.00 175.76 172.85 1lxn s GLU 5 N -3.72 0.40 -0.04 0.00 2.12 -0.38 -0.12 118.70 116.96 1lxn s GLU 5 Ca 0.16 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.43 1lxn s GLU 5 Cb -0.04 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.91 1lxn s GLU 5 CO 0.09 0.01 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.52 1lxn s LEU 6 N 0.31 1.79 -0.09 2.70 2.96 0.53 -1.33 118.68 125.56 1lxn s LEU 6 Ca -0.03 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1lxn s LEU 6 Cb -0.06 -0.80 0.03 0.00 0.50 0.00 0.00 46.19 45.85 1lxn s LEU 6 CO -0.00 0.09 -0.04 0.42 -1.32 0.00 0.00 176.35 175.49 1lxn s THR 7 N 0.28 0.71 -0.28 3.68 -4.23 -0.50 -0.67 115.64 114.63 1lxn s THR 7 Ca -0.07 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1lxn s THR 7 Cb -0.12 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 72.97 1lxn s THR 7 CO 0.02 0.31 0.01 -0.69 -0.54 0.00 0.00 174.62 173.73 1lxn s VAL 8 N 1.67 3.34 -0.27 2.29 1.01 -1.26 -0.83 120.40 126.35 1lxn s VAL 8 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1lxn s VAL 8 Cb -0.13 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1lxn s VAL 8 CO -0.05 0.08 -0.08 -0.63 0.00 0.00 0.00 175.10 174.42 1lxn s ILE 9 N 1.38 2.39 0.28 2.22 1.01 0.11 -4.80 121.20 123.79 1lxn s ILE 9 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1lxn s ILE 9 Cb -0.18 -2.39 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 1lxn s ILE 9 CO -0.01 -0.04 1.05 -2.16 0.00 0.00 0.00 174.94 173.78 1lxn s PRO 10 N 1.14 4.66 0.08 2.79 0.04 -1.26 -0.54 135.00 141.91 1lxn s PRO 10 Ca -0.08 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1lxn s PRO 10 Cb -0.20 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1lxn s PRO 10 CO -0.04 0.26 -0.12 -0.51 0.04 0.00 0.00 177.00 176.64 1lxn s LEU 11 N -1.47 2.96 -0.81 -3.56 1.43 0.14 -4.62 118.68 112.75 1lxn s LEU 11 Ca 0.45 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1lxn s LEU 11 Cb -0.30 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1lxn s LEU 11 CO 0.38 0.20 0.20 0.61 0.23 0.00 0.00 176.35 177.97 1lxn n GLY 12 N 0.95 0.04 0.20 -3.19 0.00 -1.26 -4.20 105.19 97.73 1lxn n GLY 12 Ca -0.14 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1lxn n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1lxn h THR 13 N -0.45 0.00 -5.09 2.61 2.02 -1.95 -3.48 112.91 106.57 1lxn h THR 13 Ca -0.26 -0.72 -0.37 0.00 0.77 0.00 0.00 66.41 65.83 1lxn h THR 13 Cb 1.18 1.70 0.11 0.00 -1.74 0.00 0.00 68.15 69.39 1lxn h THR 13 CO 0.28 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.56 1lxn s SER 15 N -3.12 -0.43 0.00 0.00 0.15 -1.26 -5.03 113.70 104.01 1lxn s SER 15 Ca 0.47 0.71 0.30 0.00 0.70 0.00 0.00 55.95 58.13 1lxn s SER 15 Cb -0.21 1.10 1.65 0.00 -1.71 0.00 0.00 66.02 66.85 1lxn s SER 15 CO 0.58 -0.11 2.08 0.35 1.20 0.00 0.00 173.24 177.33 1lxn n THR 16 N 3.36 0.00 -3.54 6.45 -2.24 -1.26 -4.66 114.28 112.39 1lxn n THR 16 Ca -0.17 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 1lxn n THR 16 Cb 0.57 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 1lxn n THR 16 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1lxn s SER 17 N -1.99 5.95 0.00 3.42 0.15 -1.26 -4.94 113.70 115.03 1lxn s SER 17 Ca 0.45 -0.62 0.13 0.00 0.70 0.00 0.00 55.95 56.60 1lxn s SER 17 Cb 0.21 -2.11 0.19 0.00 -1.71 0.00 0.00 66.02 62.60 1lxn s SER 17 CO 0.36 -0.30 1.04 0.18 1.20 0.00 0.00 173.24 175.72 1lxn n LEU 18 N 5.09 2.40 -0.32 3.45 4.77 -1.26 -4.74 117.00 126.39 1lxn n LEU 18 Ca -0.12 -1.34 0.13 0.00 -0.03 0.00 0.00 56.01 54.65 1lxn n LEU 18 Cb 0.49 -0.09 0.36 0.00 -2.33 0.00 0.00 43.42 41.84 1lxn n LEU 18 CO 0.37 0.51 1.21 0.28 -1.33 0.00 0.00 177.39 178.44 1lxn h SER 19 N 2.44 0.71 0.28 -1.43 0.02 -1.99 -1.23 113.55 112.35 1lxn h SER 19 Ca 0.00 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1lxn h SER 19 Cb 0.61 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1lxn h SER 19 CO 0.00 0.31 -0.50 0.28 -1.14 0.00 0.00 176.83 175.78 1lxn h SER 20 N 0.72 0.28 -0.30 3.07 0.02 -1.99 0.15 113.55 115.51 1lxn h SER 20 Ca 0.52 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 61.20 1lxn h SER 20 Cb 0.84 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1lxn h SER 20 CO -0.28 0.74 -0.31 1.88 -1.14 0.00 0.00 176.83 177.71 1lxn h TYR 21 N 0.21 0.88 -0.53 3.45 0.05 -1.61 -2.17 116.97 117.24 1lxn h TYR 21 Ca 0.01 -0.27 -0.12 0.00 0.05 0.00 0.00 58.73 58.40 1lxn h TYR 21 Cb 0.96 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 1lxn h TYR 21 CO 0.02 1.03 -0.13 0.28 -1.05 0.00 0.00 178.16 178.31 1lxn h VAL 22 N 0.49 1.27 -0.89 -2.88 2.07 -1.13 -1.84 116.25 113.32 1lxn h VAL 22 Ca 0.04 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1lxn h VAL 22 Cb 0.89 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1lxn h VAL 22 CO 0.08 0.45 0.53 0.00 0.02 0.00 0.00 177.57 178.65 1lxn h ALA 23 N 0.91 1.25 -0.63 1.67 0.00 -0.94 0.10 119.26 121.63 1lxn h ALA 23 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1lxn h ALA 23 Cb 0.70 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1lxn h ALA 23 CO 0.05 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.09 1lxn h ALA 24 N 1.35 1.06 -0.39 0.00 0.00 -1.04 1.00 119.26 121.24 1lxn h ALA 24 Ca 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1lxn h ALA 24 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1lxn h ALA 24 CO -0.06 0.62 0.13 0.00 0.00 0.00 0.00 179.25 179.94 1lxn h ALA 25 N 1.20 0.50 -0.55 0.00 0.00 -0.47 -2.29 119.26 117.65 1lxn h ALA 25 Ca 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1lxn h ALA 25 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1lxn h ALA 25 CO 0.00 0.13 -0.02 0.28 0.00 0.00 0.00 179.25 179.64 1lxn h VAL 26 N 0.48 1.26 -0.71 0.00 2.07 -0.69 -1.91 116.25 116.76 1lxn h VAL 26 Ca 0.13 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1lxn h VAL 26 Cb 0.23 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1lxn h VAL 26 CO -0.01 0.40 0.47 -0.08 0.02 0.00 0.00 177.57 178.37 1lxn h GLU 27 N 0.88 0.86 -0.20 1.57 4.57 -0.62 0.17 114.58 121.80 1lxn h GLU 27 Ca 0.16 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.11 1lxn h GLU 27 Cb 0.54 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1lxn h GLU 27 CO 0.03 0.57 -0.59 0.00 -1.18 0.00 0.00 179.01 177.84 1lxn h ALA 28 N 1.58 0.60 -0.58 2.92 0.00 -0.94 -3.18 119.26 119.67 1lxn h ALA 28 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1lxn h ALA 28 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1lxn h ALA 28 CO -0.07 0.69 0.31 -0.07 0.00 0.00 0.00 179.25 180.11 1lxn h LEU 29 N 0.48 0.72 -2.08 0.00 3.38 -0.45 -2.89 115.31 114.47 1lxn h LEU 29 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1lxn h LEU 29 Cb 1.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1lxn h LEU 29 CO 0.11 0.62 0.32 0.11 0.09 0.00 0.00 178.44 179.69 1lxn h LYS 30 N 0.78 0.00 0.00 1.13 1.57 -0.99 -1.43 116.57 117.63 1lxn h LYS 30 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1lxn h LYS 30 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1lxn h LYS 30 CO -0.03 0.00 -0.05 1.63 -0.57 0.00 0.00 179.45 180.43 1lxn n LYS 31 N -3.07 0.27 -2.97 3.15 5.02 -1.09 -4.86 118.16 114.61 1lxn n LYS 31 Ca -0.01 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.29 1lxn n LYS 31 Cb 0.39 -1.80 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1lxn n LYS 31 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lxn s LEU 32 N -4.53 3.59 -1.52 -0.35 2.01 -0.54 -4.99 118.68 112.35 1lxn s LEU 32 Ca 0.10 -0.03 -0.09 0.00 0.01 0.00 0.00 54.13 54.12 1lxn s LEU 32 Cb 0.12 -2.90 -0.02 0.00 0.01 0.00 0.00 46.19 43.41 1lxn s LEU 32 CO 0.61 -0.80 2.73 -3.20 1.01 0.00 0.00 176.35 176.70 1lxn n ASN 33 N -2.04 8.19 -4.24 2.29 5.15 -1.26 -4.88 115.26 118.48 1lxn n ASN 33 Ca 0.04 -2.76 -0.16 0.00 -0.60 0.00 0.00 54.58 51.10 1lxn n ASN 33 Cb 0.59 -1.51 -0.11 0.00 -0.53 0.00 0.00 39.78 38.22 1lxn n ASN 33 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1lxn s VAL 34 N 1.25 1.22 0.00 3.44 -7.23 -1.26 -4.69 120.40 113.13 1lxn s VAL 34 Ca 0.63 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1lxn s VAL 34 Cb 0.18 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1lxn s VAL 34 CO -0.07 -0.58 0.13 -0.13 -0.31 0.00 0.00 175.10 174.14 1lxn s ARG 35 N -3.16 3.24 0.09 4.82 0.52 -0.58 -4.95 118.95 118.93 1lxn s ARG 35 Ca 0.12 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1lxn s ARG 35 Cb -0.01 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1lxn s ARG 35 CO 0.02 0.65 0.00 1.52 0.02 0.00 0.00 175.30 177.51 1lxn s TYR 36 N -1.29 0.69 -0.17 -0.53 -0.85 -1.26 -1.42 117.35 112.52 1lxn s TYR 36 Ca 0.26 -1.13 -0.05 0.00 -0.52 0.00 0.00 57.07 55.63 1lxn s TYR 36 Cb -0.12 -0.44 0.08 0.00 0.38 0.00 0.00 41.96 41.86 1lxn s TYR 36 CO 0.18 -0.42 0.32 -2.00 -1.52 0.00 0.00 175.55 172.11 1lxn s GLU 37 N -3.97 0.23 -0.07 -3.49 2.12 -0.05 -4.97 118.70 108.50 1lxn s GLU 37 Ca 0.14 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 55.96 1lxn s GLU 37 Cb 0.08 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 1lxn s GLU 37 CO -0.05 -0.34 1.27 0.42 -0.54 0.00 0.00 175.26 176.02 1lxn s ILE 38 N 2.49 4.13 0.41 -3.70 1.01 -1.26 -0.07 121.20 124.21 1lxn s ILE 38 Ca 0.02 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.19 1lxn s ILE 38 Cb -0.13 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 1lxn s ILE 38 CO -0.11 -0.03 0.01 -0.94 0.00 0.00 0.00 174.94 173.87 1lxn s SER 39 N 1.73 3.90 0.00 3.58 1.04 -1.26 -4.94 113.70 117.75 1lxn s SER 39 Ca 0.58 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1lxn s SER 39 Cb -0.26 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1lxn s SER 39 CO 0.21 -0.46 0.07 0.61 0.98 0.00 0.00 173.24 174.65 1lxn n GLY 40 N -0.98 0.16 3.42 7.32 0.00 -1.26 -4.67 105.19 109.18 1lxn n GLY 40 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1lxn n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lxn n GLY 42 N 0.66 -2.16 3.69 -0.02 0.00 -1.26 -5.26 105.19 100.83 1lxn n GLY 42 Ca 0.00 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 1lxn n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lxn s THR 43 N -2.36 5.16 0.25 2.61 2.01 0.15 -4.76 115.64 118.72 1lxn s THR 43 Ca 0.65 0.89 -0.23 0.00 0.31 0.00 0.00 61.69 63.31 1lxn s THR 43 Cb -0.22 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1lxn s THR 43 CO 0.66 0.26 0.82 -0.76 -0.69 0.00 0.00 174.62 174.90 1lxn s LEU 44 N 1.14 4.38 0.07 4.42 1.02 0.90 -0.34 118.68 130.27 1lxn s LEU 44 Ca 0.23 1.62 0.02 0.00 0.02 0.00 0.00 54.13 56.02 1lxn s LEU 44 Cb -0.15 -3.71 -0.03 0.00 0.02 0.00 0.00 46.19 42.31 1lxn s LEU 44 CO 0.09 0.02 -0.07 -0.76 0.02 0.00 0.00 176.35 175.65 1lxn s LEU 45 N -1.88 2.40 -0.03 1.79 1.43 0.83 -0.87 118.68 122.36 1lxn s LEU 45 Ca 0.45 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1lxn s LEU 45 Cb -0.18 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 45.96 1lxn s LEU 45 CO 0.23 -0.36 -0.01 -1.61 0.23 0.00 0.00 176.35 174.82 1lxn s GLU 46 N -2.90 0.39 0.07 1.70 2.02 -0.51 -1.22 118.70 118.25 1lxn s GLU 46 Ca 0.03 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1lxn s GLU 46 Cb -0.01 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1lxn s GLU 46 CO -0.03 -0.09 -0.04 0.00 0.02 0.00 0.00 175.26 175.11 1lxn s ALA 47 N 0.84 0.67 -0.31 5.21 0.00 -0.35 -1.53 121.76 126.30 1lxn s ALA 47 Ca -0.09 -1.22 0.23 0.00 0.00 0.00 0.00 51.96 50.88 1lxn s ALA 47 Cb -0.12 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1lxn s ALA 47 CO -0.01 -0.30 1.10 0.93 0.00 0.00 0.00 175.76 177.48 1lxn h GLU 48 N 3.19 0.00 -3.18 0.00 5.08 -1.88 0.14 114.58 117.94 1lxn h GLU 48 Ca -0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1lxn h GLU 48 Cb 1.15 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 1lxn h GLU 48 CO 0.64 0.00 0.08 0.16 -1.00 0.00 0.00 179.01 178.89 1lxn s ASP 49 N -5.20 -0.42 0.36 1.42 1.47 -1.26 -4.81 116.67 108.23 1lxn s ASP 49 Ca 0.01 -0.14 0.05 0.00 1.18 0.00 0.00 52.55 53.65 1lxn s ASP 49 Cb 0.10 0.54 0.68 0.00 -0.34 0.00 0.00 42.92 43.90 1lxn s ASP 49 CO 0.78 -0.92 1.93 -0.07 0.68 0.00 0.00 175.17 177.57 1lxn h LEU 50 N 2.17 0.48 0.12 2.11 3.38 -2.00 -2.99 115.31 118.58 1lxn h LEU 50 Ca -0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1lxn h LEU 50 Cb 1.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1lxn h LEU 50 CO 0.42 0.49 -0.10 0.44 0.09 0.00 0.00 178.44 179.78 1lxn h ASP 51 N 0.51 -0.27 -0.36 -0.43 3.32 -2.02 -2.99 116.42 114.18 1lxn h ASP 51 Ca 0.12 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1lxn h ASP 51 Cb 0.22 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1lxn h ASP 51 CO -0.00 -0.16 0.18 -0.33 -1.72 0.00 0.00 179.24 177.21 1lxn h GLU 52 N -0.24 0.36 -0.20 3.56 4.39 -1.95 -1.12 114.58 119.39 1lxn h GLU 52 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1lxn h GLU 52 Cb 0.22 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1lxn h GLU 52 CO -0.02 0.24 0.00 -0.11 -1.16 0.00 0.00 179.01 177.96 1lxn n LEU 53 N -4.93 0.00 0.00 1.33 7.94 -1.13 -0.37 117.00 119.83 1lxn n LEU 53 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1lxn n LEU 53 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1lxn n LEU 53 CO 0.31 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.97 1lxn n GLU 55 N 0.45 0.00 -0.16 1.96 -0.58 -0.42 -0.69 120.64 121.20 1lxn n GLU 55 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1lxn n GLU 55 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 1lxn n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lxn h ALA 56 N 0.00 0.79 -0.39 0.62 0.00 -0.96 -1.33 119.26 117.99 1lxn h ALA 56 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1lxn h ALA 56 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1lxn h ALA 56 CO 0.00 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 1lxn h VAL 57 N 0.86 1.28 -0.60 0.00 2.07 -1.16 -1.29 116.25 117.41 1lxn h VAL 57 Ca 0.13 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1lxn h VAL 57 Cb 0.69 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1lxn h VAL 57 CO 0.05 0.40 0.28 0.11 0.02 0.00 0.00 177.57 178.43 1lxn h LYS 58 N 0.56 0.87 -0.55 1.57 1.57 -1.79 -1.20 116.57 117.60 1lxn h LYS 58 Ca 0.10 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1lxn h LYS 58 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1lxn h LYS 58 CO 0.04 0.71 0.35 0.00 -0.57 0.00 0.00 179.45 179.98 1lxn h ALA 59 N 1.11 0.69 -0.29 3.86 0.00 -1.08 -0.33 119.26 123.22 1lxn h ALA 59 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1lxn h ALA 59 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1lxn h ALA 59 CO -0.02 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.47 1lxn h ALA 60 N 1.19 0.38 -0.18 0.00 0.00 -0.99 -1.39 119.26 118.26 1lxn h ALA 60 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1lxn h ALA 60 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1lxn h ALA 60 CO -0.04 0.01 0.01 1.25 0.00 0.00 0.00 179.25 180.48 1lxn h HIS 61 N 0.31 0.01 -0.53 0.00 6.17 -0.98 -2.73 115.15 117.39 1lxn h HIS 61 Ca 0.09 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.15 1lxn h HIS 61 Cb 0.24 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 1lxn h HIS 61 CO 0.00 -0.01 0.18 0.93 0.71 0.00 0.00 177.93 179.74 1lxn h GLU 62 N 0.07 0.79 -0.45 5.26 4.39 -0.93 -2.66 114.58 121.05 1lxn h GLU 62 Ca 0.08 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1lxn h GLU 62 Cb 0.10 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1lxn h GLU 62 CO -0.14 0.67 0.20 0.00 -1.16 0.00 0.00 179.01 178.59 1lxn h ALA 63 N 1.43 1.52 -0.13 3.43 0.00 -0.95 0.13 119.26 124.69 1lxn h ALA 63 Ca 0.18 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1lxn h ALA 63 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1lxn h ALA 63 CO -0.01 0.38 -0.62 0.28 0.00 0.00 0.00 179.25 179.28 1lxn h VAL 64 N 0.63 1.35 -0.28 0.00 2.07 -1.32 0.68 116.25 119.37 1lxn h VAL 64 Ca 0.16 -1.94 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 1lxn h VAL 64 Cb 0.09 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1lxn h VAL 64 CO -0.02 0.59 -0.22 -0.07 0.02 0.00 0.00 177.57 177.88 1lxn h LEU 65 N 0.34 0.67 -1.48 2.57 3.38 -1.24 -2.75 115.31 116.82 1lxn h LEU 65 Ca -0.01 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1lxn h LEU 65 Cb 1.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1lxn h LEU 65 CO 0.11 0.98 -0.10 1.56 0.09 0.00 0.00 178.44 181.08 1lxn h GLN 66 N 0.37 0.22 0.00 1.13 4.20 -0.62 -1.03 115.11 119.38 1lxn h GLN 66 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1lxn h GLN 66 Cb 0.76 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1lxn h GLN 66 CO 0.06 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 1lxn n ALA 67 N -2.49 1.37 0.00 3.87 0.00 0.22 -4.83 120.51 118.64 1lxn n ALA 67 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1lxn n ALA 67 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1lxn n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxn n GLY 68 N -0.62 0.96 3.74 0.00 0.00 -0.40 -5.08 105.19 103.80 1lxn n GLY 68 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1lxn n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lxn s SER 69 N -0.62 7.39 0.00 1.61 0.15 -1.06 -4.94 113.70 116.24 1lxn s SER 69 Ca 0.00 1.99 0.25 0.00 0.70 0.00 0.00 55.95 58.89 1lxn s SER 69 Cb 0.00 -2.60 0.47 0.00 -1.71 0.00 0.00 66.02 62.18 1lxn s SER 69 CO 0.00 -0.11 1.39 0.47 1.20 0.00 0.00 173.24 176.19 1lxn n ASP 70 N 2.29 1.54 -3.48 5.45 10.43 -1.26 -4.51 116.55 127.02 1lxn n ASP 70 Ca 0.02 -1.23 -0.06 0.00 2.57 0.00 0.00 54.79 56.08 1lxn n ASP 70 Cb 0.47 0.24 -0.07 0.00 1.84 0.00 0.00 41.12 43.60 1lxn n ASP 70 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1lxn s ARG 71 N -2.42 0.39 -0.12 -1.24 3.52 -1.26 -5.06 118.95 112.75 1lxn s ARG 71 Ca 0.23 0.88 0.01 0.00 -0.13 0.00 0.00 55.73 56.73 1lxn s ARG 71 Cb 0.19 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 1lxn s ARG 71 CO 0.51 -0.44 -0.17 0.08 -0.81 0.00 0.00 175.30 174.47 1lxn s VAL 72 N 2.65 2.69 -0.38 7.11 1.01 -1.26 0.26 120.40 132.48 1lxn s VAL 72 Ca 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1lxn s VAL 72 Cb -0.14 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.20 1lxn s VAL 72 CO -0.16 0.53 0.17 -0.47 0.00 0.00 0.00 175.10 175.18 1lxn s TYR 73 N 0.42 3.32 -0.09 5.22 5.04 0.30 -4.96 117.35 126.60 1lxn s TYR 73 Ca -0.12 -1.57 0.01 0.00 -2.44 0.00 0.00 57.07 52.94 1lxn s TYR 73 Cb -0.16 -2.64 -0.02 0.00 0.35 0.00 0.00 41.96 39.48 1lxn s TYR 73 CO 0.06 -0.80 -0.10 0.99 -1.34 0.00 0.00 175.55 174.36 1lxn s THR 74 N 1.38 3.40 -0.05 4.34 2.01 -1.26 -0.71 115.64 124.74 1lxn s THR 74 Ca 0.01 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1lxn s THR 74 Cb -0.21 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1lxn s THR 74 CO 0.02 0.57 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.42 1lxn s THR 75 N -0.37 1.71 -0.05 -0.82 2.01 -0.01 -5.00 115.64 113.11 1lxn s THR 75 Ca 0.05 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1lxn s THR 75 Cb -0.12 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1lxn s THR 75 CO 0.02 0.48 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.18 1lxn s LEU 76 N 0.01 1.16 -0.13 4.42 2.96 -1.26 -1.41 118.68 124.44 1lxn s LEU 76 Ca -0.06 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1lxn s LEU 76 Cb -0.13 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1lxn s LEU 76 CO 0.03 -0.09 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.28 1lxn s LYS 77 N 1.18 3.27 -0.11 1.98 1.02 -0.44 -4.98 119.74 121.66 1lxn s LYS 77 Ca -0.07 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1lxn s LYS 77 Cb -0.14 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1lxn s LYS 77 CO -0.01 0.17 -0.23 0.42 -0.92 0.00 0.00 175.35 174.77 1lxn s ILE 78 N 0.44 2.04 -0.39 2.17 1.01 -1.26 -1.25 121.20 123.96 1lxn s ILE 78 Ca -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 1lxn s ILE 78 Cb -0.16 -1.78 0.11 0.00 0.01 0.00 0.00 42.46 40.64 1lxn s ILE 78 CO 0.05 0.55 0.17 -0.62 0.00 0.00 0.00 174.94 175.09 1lxn s ASP 79 N 0.54 5.13 -0.47 3.58 3.68 0.39 -5.01 116.67 124.52 1lxn s ASP 79 Ca -0.14 -2.07 -0.09 0.00 2.13 0.00 0.00 52.55 52.38 1lxn s ASP 79 Cb -0.17 -1.78 0.12 0.00 -1.45 0.00 0.00 42.92 39.64 1lxn s ASP 79 CO 0.05 -0.50 0.34 -0.62 0.13 0.00 0.00 175.17 174.56 1lxn s ASP 80 N 1.59 5.72 -0.28 -0.34 -1.08 -1.26 -2.57 116.67 118.44 1lxn s ASP 80 Ca 0.09 -1.86 -0.08 0.00 -0.52 0.00 0.00 52.55 50.18 1lxn s ASP 80 Cb -0.22 -2.02 -0.01 0.00 -1.46 0.00 0.00 42.92 39.21 1lxn s ASP 80 CO -0.05 -0.68 0.10 -0.60 0.52 0.00 0.00 175.17 174.46 1lxn s ARG 81 N 1.38 3.43 0.02 4.34 3.52 -1.26 -4.98 118.95 125.40 1lxn s ARG 81 Ca 0.05 -0.64 0.22 0.00 -0.13 0.00 0.00 55.73 55.24 1lxn s ARG 81 Cb -0.26 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1lxn s ARG 81 CO -0.00 -0.32 0.99 0.54 -0.81 0.00 0.00 175.30 175.69 1lxn n ARG 82 N 4.94 0.19 -0.35 5.12 5.12 -1.26 -4.24 116.66 126.17 1lxn n ARG 82 Ca -0.15 -0.02 0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1lxn n ARG 82 Cb 0.50 -1.54 0.30 0.00 -1.16 0.00 0.00 32.46 30.56 1lxn n ARG 82 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1lxn n ASP 83 N -1.78 3.68 -3.59 0.55 5.75 -1.26 -4.93 116.55 114.98 1lxn n ASP 83 Ca 0.02 -2.01 -0.11 0.00 -0.01 0.00 0.00 54.79 52.69 1lxn n ASP 83 Cb 0.40 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 1lxn n ASP 83 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lxn s ALA 84 N -1.10 -1.93 -0.40 2.12 0.00 -1.26 -5.13 121.76 114.07 1lxn s ALA 84 Ca 0.46 1.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.88 1lxn s ALA 84 Cb 0.24 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1lxn s ALA 84 CO 0.31 -0.29 0.49 -0.51 0.00 0.00 0.00 175.76 175.75 1lxn s ASP 85 N -0.79 6.25 -0.15 0.00 -0.00 -1.26 -4.78 116.67 115.93 1lxn s ASP 85 Ca -0.01 -0.39 -0.02 0.00 -0.00 0.00 0.00 52.55 52.12 1lxn s ASP 85 Cb -0.02 -2.25 0.05 0.00 -0.00 0.00 0.00 42.92 40.70 1lxn s ASP 85 CO 0.00 -0.57 0.02 -0.13 -0.00 0.00 0.00 175.17 174.49 1lxn s ARG 86 N 2.33 0.69 0.81 8.23 1.81 -1.26 -5.07 118.95 126.48 1lxn s ARG 86 Ca 0.16 -0.24 -0.06 0.00 -1.72 0.00 0.00 55.73 53.86 1lxn s ARG 86 Cb -0.16 -1.72 0.16 0.00 -0.45 0.00 0.00 34.95 32.77 1lxn s ARG 86 CO 0.14 -0.51 1.11 0.20 -0.68 0.00 0.00 175.30 175.56 1lxn s GLY 87 N 1.89 1.77 0.15 -3.53 0.00 -1.26 -4.72 107.32 101.61 1lxn s GLY 87 Ca 0.01 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 42.96 1lxn s GLY 87 CO -0.07 -0.94 1.69 1.41 0.00 0.00 0.00 173.10 175.19 1lxn h LEU 88 N -0.92 -0.27 -0.31 0.66 3.38 -1.96 -1.90 115.31 113.99 1lxn h LEU 88 Ca -0.39 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1lxn h LEU 88 Cb 1.25 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1lxn h LEU 88 CO 0.39 -0.10 0.20 -0.09 0.09 0.00 0.00 178.44 178.93 1lxn h ARG 89 N 0.00 0.41 -0.72 1.13 2.43 -1.99 -2.09 114.38 113.55 1lxn h ARG 89 Ca 0.14 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1lxn h ARG 89 Cb 0.22 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1lxn h ARG 89 CO -0.31 0.29 0.34 -0.44 -1.51 0.00 0.00 179.97 178.34 1lxn h ASP 90 N 0.41 0.42 -0.39 -3.80 3.32 -1.82 0.26 116.42 114.82 1lxn h ASP 90 Ca 0.11 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1lxn h ASP 90 Cb -0.03 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1lxn h ASP 90 CO -0.02 0.23 -0.07 0.11 -1.72 0.00 0.00 179.24 177.76 1lxn h LYS 91 N 0.56 0.82 -0.09 3.56 1.57 -1.05 -0.50 116.57 121.45 1lxn h LYS 91 Ca 0.36 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1lxn h LYS 91 Cb 0.43 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1lxn h LYS 91 CO -0.30 0.87 -0.01 0.28 -0.57 0.00 0.00 179.45 179.73 1lxn h VAL 92 N 0.75 1.26 -0.15 0.50 2.07 -0.61 -2.92 116.25 117.17 1lxn h VAL 92 Ca 0.13 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1lxn h VAL 92 Cb 0.56 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1lxn h VAL 92 CO 0.03 0.23 -0.10 -0.33 0.02 0.00 0.00 177.57 177.43 1lxn h GLU 93 N -0.14 0.22 -0.59 1.57 4.39 -0.84 -1.85 114.58 117.35 1lxn h GLU 93 Ca 0.02 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1lxn h GLU 93 Cb 0.37 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1lxn h GLU 93 CO 0.01 0.34 0.01 0.77 -1.16 0.00 0.00 179.01 178.97 1lxn h SER 94 N 0.22 0.99 -0.09 1.42 0.02 -1.01 -1.00 113.55 114.09 1lxn h SER 94 Ca 0.05 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1lxn h SER 94 Cb 0.32 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1lxn h SER 94 CO 0.02 1.04 -0.14 0.58 -1.14 0.00 0.00 176.83 177.18 1lxn h VAL 95 N 0.94 1.38 -0.76 2.27 2.07 -1.28 -3.08 116.25 117.79 1lxn h VAL 95 Ca 0.17 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1lxn h VAL 95 Cb 0.53 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1lxn h VAL 95 CO 0.03 0.39 0.48 0.11 0.02 0.00 0.00 177.57 178.60 1lxn h LYS 96 N -0.18 0.90 -0.23 1.57 1.57 -1.27 -1.35 116.57 117.59 1lxn h LYS 96 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1lxn h LYS 96 Cb 0.70 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1lxn h LYS 96 CO 0.03 0.60 0.16 1.49 -0.57 0.00 0.00 179.45 181.16 1lxn h GLU 97 N 0.93 0.16 -0.00 3.15 4.22 -1.21 -0.82 114.58 121.01 1lxn h GLU 97 Ca 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1lxn h GLU 97 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1lxn h GLU 97 CO -0.12 0.10 -0.21 1.63 -2.18 0.00 0.00 179.01 178.24 1lxn n LYS 98 N -4.50 0.26 0.00 1.92 4.76 -0.54 -5.11 118.16 114.96 1lxn n LYS 98 Ca 0.01 -0.10 0.14 0.00 -2.87 0.00 0.00 58.31 55.50 1lxn n LYS 98 Cb 0.19 -1.50 0.53 0.00 -1.84 0.00 0.00 35.03 32.41 1lxn n LYS 98 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14