#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlq s LYS 2 N 0.00 4.40 -0.05 1.43 2.20 -1.26 -0.14 119.74 126.33 1xlq s LYS 2 Ca 0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1xlq s LYS 2 Cb 0.00 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1xlq s LYS 2 CO 0.00 -0.27 -0.03 0.08 -0.36 0.00 0.00 175.35 174.77 1xlq s VAL 3 N 0.66 0.46 -0.16 4.02 1.01 -0.20 0.08 120.40 126.28 1xlq s VAL 3 Ca 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1xlq s VAL 3 Cb -0.34 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1xlq s VAL 3 CO 0.33 0.22 -0.08 -0.69 0.00 0.00 0.00 175.10 174.88 1xlq s VAL 4 N 1.17 3.35 -0.20 2.92 1.01 -0.20 -0.66 120.40 127.79 1xlq s VAL 4 Ca -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1xlq s VAL 4 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1xlq s VAL 4 CO -0.01 0.49 -0.03 -0.31 0.00 0.00 0.00 175.10 175.23 1xlq s TYR 5 N 0.66 2.98 -0.32 5.22 1.51 0.24 -0.85 117.35 126.79 1xlq s TYR 5 Ca -0.05 -0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 1xlq s TYR 5 Cb -0.15 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1xlq s TYR 5 CO 0.02 -0.35 0.09 0.08 -1.11 0.00 0.00 175.55 174.29 1xlq s VAL 6 N 1.09 3.90 0.63 0.71 1.01 0.09 -0.96 120.40 126.87 1xlq s VAL 6 Ca 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1xlq s VAL 6 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1xlq s VAL 6 CO 0.00 -0.04 1.03 -0.44 0.00 0.00 0.00 175.10 175.66 1xlq s SER 7 N 1.46 6.06 0.17 3.32 0.01 -0.17 -0.29 113.70 124.24 1xlq s SER 7 Ca 0.01 1.48 0.14 0.00 1.31 0.00 0.00 55.95 58.89 1xlq s SER 7 Cb -0.18 -2.48 0.70 0.00 0.21 0.00 0.00 66.02 64.27 1xlq s SER 7 CO 0.03 -0.98 1.44 0.00 0.41 0.00 0.00 173.24 174.13 1xlq n HIS 8 N -2.76 0.42 1.13 2.43 1.44 -1.18 -0.27 115.22 116.43 1xlq n HIS 8 Ca 0.06 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1xlq n HIS 8 Cb 0.54 -0.82 0.36 0.00 0.12 0.00 0.00 29.99 30.19 1xlq n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1xlq n ASP 9 N -1.92 2.03 0.00 4.39 5.75 -1.26 -4.93 116.55 120.62 1xlq n ASP 9 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1xlq n ASP 9 Cb 0.08 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1xlq n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xlq n GLY 10 N 1.22 2.84 3.74 6.12 0.00 0.62 -5.03 105.19 114.70 1xlq n GLY 10 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xlq n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xlq s THR 11 N -2.22 2.25 -0.18 2.61 -4.23 -1.26 -4.69 115.64 107.92 1xlq s THR 11 Ca 0.00 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1xlq s THR 11 Cb 0.00 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 1xlq s THR 11 CO 0.00 0.03 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.46 1xlq s ARG 12 N 0.05 3.53 -0.10 3.99 3.52 -1.26 -1.00 118.95 127.68 1xlq s ARG 12 Ca 0.66 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1xlq s ARG 12 Cb -0.46 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1xlq s ARG 12 CO 0.42 0.05 -0.16 1.03 -0.81 0.00 0.00 175.30 175.83 1xlq s ARG 13 N 0.84 2.26 -0.19 5.12 0.52 -0.14 -4.98 118.95 122.38 1xlq s ARG 13 Ca -0.01 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 1xlq s ARG 13 Cb -0.15 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1xlq s ARG 13 CO 0.02 -0.01 0.05 -2.00 0.02 0.00 0.00 175.30 173.38 1xlq s GLU 14 N 0.82 3.90 0.10 3.54 2.12 -1.26 -0.59 118.70 127.32 1xlq s GLU 14 Ca -0.10 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1xlq s GLU 14 Cb -0.16 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1xlq s GLU 14 CO 0.01 0.22 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.24 1xlq s LEU 15 N 0.50 2.29 -0.38 2.70 1.43 0.17 -4.98 118.68 120.40 1xlq s LEU 15 Ca 0.02 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1xlq s LEU 15 Cb -0.13 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1xlq s LEU 15 CO 0.01 0.06 0.24 -0.62 0.23 0.00 0.00 176.35 176.27 1xlq s ASP 16 N -1.84 5.87 -0.15 2.29 -1.08 -1.26 -1.03 116.67 119.47 1xlq s ASP 16 Ca 0.06 -0.94 -0.04 0.00 -0.52 0.00 0.00 52.55 51.11 1xlq s ASP 16 Cb -0.10 -2.07 -0.03 0.00 -1.46 0.00 0.00 42.92 39.25 1xlq s ASP 16 CO 0.04 -0.40 -0.01 -0.69 0.52 0.00 0.00 175.17 174.63 1xlq s VAL 17 N 1.60 4.18 0.74 1.11 1.01 0.81 -4.71 120.40 125.14 1xlq s VAL 17 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1xlq s VAL 17 Cb -0.19 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1xlq s VAL 17 CO 0.08 0.51 1.08 0.00 0.00 0.00 0.00 175.10 176.76 1xlq s ALA 18 N 0.09 2.50 0.70 5.51 0.00 -1.26 -0.07 121.76 129.23 1xlq s ALA 18 Ca 0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 1xlq s ALA 18 Cb -0.13 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1xlq s ALA 18 CO 0.02 -1.44 1.26 -0.51 0.00 0.00 0.00 175.76 175.10 1xlq s ASP 19 N -3.83 4.30 0.00 0.00 1.01 -1.26 -2.99 116.67 113.89 1xlq s ASP 19 Ca 0.59 2.53 0.00 0.00 0.71 0.00 0.00 52.55 56.39 1xlq s ASP 19 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1xlq s ASP 19 CO 0.55 -2.21 0.00 0.61 0.21 0.00 0.00 175.17 174.33 1xlq n GLY 20 N 0.75 1.15 3.80 0.21 0.00 -0.89 -4.96 105.19 105.25 1xlq n GLY 20 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1xlq n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xlq s VAL 21 N -3.31 5.32 0.52 1.61 1.01 -1.16 -4.83 120.40 119.56 1xlq s VAL 21 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 1xlq s VAL 21 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1xlq s VAL 21 CO 0.00 0.52 0.96 -0.94 0.00 0.00 0.00 175.10 175.64 1xlq s SER 22 N -0.40 6.52 0.55 3.32 1.04 -1.26 -0.79 113.70 122.68 1xlq s SER 22 Ca 0.17 1.47 0.32 0.00 0.48 0.00 0.00 55.95 58.40 1xlq s SER 22 Cb -0.13 -2.47 1.56 0.00 0.10 0.00 0.00 66.02 65.07 1xlq s SER 22 CO 0.06 -0.62 2.08 -0.07 0.98 0.00 0.00 173.24 175.66 1xlq h LEU 23 N 0.69 0.00 -0.06 2.42 4.07 -0.92 -1.92 115.31 119.59 1xlq h LEU 23 Ca -0.46 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.37 1xlq h LEU 23 Cb 1.19 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.93 1xlq h LEU 23 CO 0.62 0.07 -0.45 -0.03 -1.08 0.00 0.00 178.44 177.57 1xlq h MET 24 N 0.00 0.41 -0.47 1.13 4.05 -1.76 -2.20 114.93 116.09 1xlq h MET 24 Ca -0.00 -0.36 0.03 0.00 -0.28 0.00 0.00 59.70 59.09 1xlq h MET 24 Cb 0.37 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 1xlq h MET 24 CO 0.01 1.01 0.27 1.96 0.23 0.00 0.00 176.91 180.38 1xlq h GLN 25 N -0.07 0.52 -0.61 0.39 4.20 -1.73 -0.11 115.11 117.71 1xlq h GLN 25 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1xlq h GLN 25 Cb 1.12 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1xlq h GLN 25 CO 0.09 0.34 0.32 0.00 -0.67 0.00 0.00 178.83 178.92 1xlq h ALA 26 N 1.22 0.78 0.04 3.87 0.00 -1.41 -1.17 119.26 122.59 1xlq h ALA 26 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xlq h ALA 26 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xlq h ALA 26 CO -0.10 0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 1xlq h ALA 27 N 1.15 -0.05 -0.27 0.00 0.00 -0.85 -2.54 119.26 116.69 1xlq h ALA 27 Ca 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xlq h ALA 27 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xlq h ALA 27 CO -0.03 -0.42 -0.22 0.28 0.00 0.00 0.00 179.25 178.86 1xlq h VAL 28 N -0.28 1.26 0.00 0.00 2.07 -0.99 -0.86 116.25 117.45 1xlq h VAL 28 Ca -0.01 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1xlq h VAL 28 Cb 0.25 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xlq h VAL 28 CO 0.01 0.39 0.00 0.28 0.02 0.00 0.00 177.57 178.27 1xlq h SER 29 N 0.45 0.00 -0.04 0.57 0.02 -1.19 -3.25 113.55 110.11 1xlq h SER 29 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xlq h SER 29 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1xlq h SER 29 CO 0.04 0.00 -0.05 0.59 -1.14 0.00 0.00 176.83 176.28 1xlq n ASN 30 N -2.34 2.48 -0.89 3.07 3.02 -0.92 -5.00 115.26 114.67 1xlq n ASN 30 Ca 0.03 -3.17 -0.11 0.00 -0.03 0.00 0.00 54.58 51.30 1xlq n ASN 30 Cb 0.31 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1xlq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlq n GLY 31 N -1.30 1.12 3.57 7.41 0.00 -1.04 -4.89 105.19 110.07 1xlq n GLY 31 Ca 0.17 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1xlq n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xlq s ILE 32 N -2.43 3.54 0.46 -0.61 -1.09 -0.37 -4.78 121.20 115.92 1xlq s ILE 32 Ca 0.00 -0.63 0.29 0.00 -2.23 0.00 0.00 60.65 58.08 1xlq s ILE 32 Cb 0.00 -4.30 0.49 0.00 -1.58 0.00 0.00 42.46 37.07 1xlq s ILE 32 CO 0.00 -1.07 1.71 0.10 -1.23 0.00 0.00 174.94 174.44 1xlq h TYR 33 N 10.55 0.41 -0.15 3.97 -0.00 -1.90 -2.35 116.97 127.51 1xlq h TYR 33 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.90 1xlq h TYR 33 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 37.60 1xlq h TYR 33 CO 1.23 -0.06 0.00 -0.40 -0.00 0.00 0.00 178.16 178.93 1xlq n ASP 34 N -4.50 1.13 -4.07 0.10 5.68 -1.26 -4.66 116.55 108.98 1xlq n ASP 34 Ca 0.31 -2.05 -0.31 0.00 -0.50 0.00 0.00 54.79 52.25 1xlq n ASP 34 Cb 1.26 -0.22 -0.16 0.00 -1.14 0.00 0.00 41.12 40.86 1xlq n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xlq s ILE 35 N -1.68 1.74 -0.20 2.12 1.01 -0.88 -4.80 121.20 118.50 1xlq s ILE 35 Ca 0.11 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 1xlq s ILE 35 Cb 0.06 -1.59 -0.14 0.00 0.01 0.00 0.00 42.46 40.80 1xlq s ILE 35 CO 0.06 0.49 0.05 0.52 0.00 0.00 0.00 174.94 176.06 1xlq n VAL 36 N 4.57 1.51 -3.43 2.92 0.31 -0.47 -4.72 118.33 119.01 1xlq n VAL 36 Ca -0.19 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 1xlq n VAL 36 Cb 0.50 -2.12 0.07 0.00 -0.91 0.00 0.00 33.84 31.39 1xlq n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xlq n GLY 37 N 1.46 -0.34 0.25 2.92 0.00 -0.86 -4.93 105.19 103.69 1xlq n GLY 37 Ca -0.28 0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1xlq n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xlq h ASP 38 N -2.28 0.20 0.67 1.61 1.82 -1.95 -2.29 116.42 114.21 1xlq h ASP 38 Ca -0.50 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1xlq h ASP 38 Cb 1.32 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1xlq h ASP 38 CO 0.48 0.11 0.00 0.00 -1.61 0.00 0.00 179.24 178.22 1xlq n GLY 40 N 0.88 0.84 0.00 0.00 0.00 -0.86 -4.36 105.19 101.68 1xlq n GLY 40 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xlq n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlq n GLY 41 N -2.00 1.94 1.09 -0.02 0.00 -1.26 -5.02 105.19 99.92 1xlq n GLY 41 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1xlq n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlq n SER 42 N 0.00 4.03 -3.59 1.61 3.41 -1.26 -4.85 113.62 112.97 1xlq n SER 42 Ca 0.00 -2.61 -0.22 0.00 -0.26 0.00 0.00 58.87 55.77 1xlq n SER 42 Cb 0.00 -0.49 0.07 0.00 -0.26 0.00 0.00 64.21 63.54 1xlq n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlq n ALA 43 N 0.26 -1.59 0.06 7.33 0.00 -1.26 -4.92 120.51 120.39 1xlq n ALA 43 Ca 0.21 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.84 1xlq n ALA 43 Cb 0.80 -4.11 -0.01 0.00 0.00 0.00 0.00 19.45 16.14 1xlq n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xlq n SER 44 N -3.04 0.11 0.00 0.00 7.64 -1.26 -4.76 113.62 112.31 1xlq n SER 44 Ca -0.11 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1xlq n SER 44 Cb 0.60 0.96 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 1xlq n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xlq n ALA 46 N -1.70 -0.13 -0.77 0.00 0.00 -1.26 -4.91 120.51 111.74 1xlq n ALA 46 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1xlq n ALA 46 Cb 0.25 -1.20 0.28 0.00 0.00 0.00 0.00 19.45 18.78 1xlq n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlq n THR 47 N -2.63 2.62 -1.74 0.00 -2.24 -1.26 -3.88 114.28 105.15 1xlq n THR 47 Ca -0.08 -1.40 0.05 0.00 -2.27 0.00 0.00 64.05 60.35 1xlq n THR 47 Cb 0.34 -0.39 0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1xlq n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlq s HIS 49 N -1.74 2.88 0.13 0.00 5.04 -1.25 -1.35 115.29 118.99 1xlq s HIS 49 Ca 0.28 0.53 -0.05 0.00 -1.54 0.00 0.00 55.06 54.28 1xlq s HIS 49 Cb 0.27 -4.08 -0.02 0.00 0.04 0.00 0.00 32.58 28.79 1xlq s HIS 49 CO -0.05 -3.93 0.16 0.14 -2.34 0.00 0.00 174.74 168.71 1xlq s VAL 50 N 0.77 0.11 -0.30 0.89 -7.23 0.01 -4.17 120.40 110.49 1xlq s VAL 50 Ca 0.70 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1xlq s VAL 50 Cb -0.48 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1xlq s VAL 50 CO 0.37 -0.50 0.05 -0.31 -0.31 0.00 0.00 175.10 174.40 1xlq s TYR 51 N -3.97 3.17 -0.04 2.82 4.12 0.29 -0.92 117.35 122.82 1xlq s TYR 51 Ca 0.16 -1.27 -0.30 0.00 0.02 0.00 0.00 57.07 55.68 1xlq s TYR 51 Cb 0.05 -2.21 -0.03 0.00 -1.52 0.00 0.00 41.96 38.26 1xlq s TYR 51 CO -0.03 -0.66 1.08 0.08 0.02 0.00 0.00 175.55 176.05 1xlq s VAL 52 N 1.42 4.54 0.22 0.71 1.01 -0.18 -0.70 120.40 127.42 1xlq s VAL 52 Ca 0.00 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1xlq s VAL 52 Cb -0.18 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 1xlq s VAL 52 CO 0.01 0.06 1.24 -3.20 0.00 0.00 0.00 175.10 173.20 1xlq n ASN 53 N 4.64 1.90 0.33 3.32 2.85 -0.10 -4.73 115.26 123.48 1xlq n ASN 53 Ca 0.09 1.15 0.18 0.00 -0.11 0.00 0.00 54.58 55.88 1xlq n ASN 53 Cb 0.48 -1.31 0.94 0.00 1.24 0.00 0.00 39.78 41.13 1xlq n ASN 53 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1xlq h GLU 54 N 3.49 0.00 0.00 1.20 9.09 -1.93 0.11 114.58 126.55 1xlq h GLU 54 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 1xlq h GLU 54 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1xlq h GLU 54 CO 0.71 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.77 1xlq n ALA 55 N -1.96 2.17 0.22 1.06 0.00 -1.26 -3.73 120.51 117.01 1xlq n ALA 55 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1xlq n ALA 55 Cb 0.29 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1xlq n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xlq n PHE 56 N -1.81 0.00 -0.27 0.00 3.01 0.01 -4.74 117.46 113.66 1xlq n PHE 56 Ca 0.06 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.60 1xlq n PHE 56 Cb 0.34 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.12 1xlq n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xlq h THR 57 N 0.21 0.95 -0.00 4.37 1.35 -1.61 -1.34 112.91 116.84 1xlq h THR 57 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1xlq h THR 57 Cb 0.13 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 1xlq h THR 57 CO 0.00 0.15 -0.00 -0.90 -0.25 0.00 0.00 175.52 174.52 1xlq n ASP 58 N -4.53 0.04 0.00 5.36 5.68 -1.26 -2.89 116.55 118.95 1xlq n ASP 58 Ca 0.15 -0.89 0.11 0.00 -0.50 0.00 0.00 54.79 53.65 1xlq n ASP 58 Cb 0.32 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1xlq n ASP 58 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xlq n LYS 59 N -1.01 0.09 -4.12 0.11 5.02 -0.51 -4.90 118.16 112.85 1xlq n LYS 59 Ca 0.22 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.15 1xlq n LYS 59 Cb 0.14 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 1xlq n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xlq s VAL 60 N -3.07 4.79 0.30 -0.18 1.01 -1.14 -4.92 120.40 117.19 1xlq s VAL 60 Ca 0.07 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1xlq s VAL 60 Cb 0.16 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.33 1xlq s VAL 60 CO 0.82 0.56 1.46 -2.65 0.00 0.00 0.00 175.10 175.28 1xlq n PRO 61 N 2.60 2.38 -0.85 2.72 -0.02 -1.26 -4.93 135.00 135.64 1xlq n PRO 61 Ca -0.18 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 1xlq n PRO 61 Cb 0.53 -2.54 0.15 0.00 -0.02 0.00 0.00 33.50 31.63 1xlq n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlq s ALA 62 N -0.45 1.63 0.36 3.55 0.00 -1.26 -4.94 121.76 120.64 1xlq s ALA 62 Ca 0.61 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 1xlq s ALA 62 Cb -0.55 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.07 1xlq s ALA 62 CO 0.55 -2.52 1.44 0.00 0.00 0.00 0.00 175.76 175.22 1xlq s ALA 63 N -2.72 3.56 0.87 0.00 0.00 -1.26 -5.03 121.76 117.18 1xlq s ALA 63 Ca 0.65 1.48 -0.09 0.00 0.00 0.00 0.00 51.96 53.99 1xlq s ALA 63 Cb -0.21 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.52 1xlq s ALA 63 CO 0.58 -0.92 1.19 0.54 0.00 0.00 0.00 175.76 177.15 1xlq s ASN 64 N -0.20 3.53 0.23 0.00 2.20 -1.26 -4.76 114.94 114.68 1xlq s ASN 64 Ca 0.52 -0.09 -0.06 0.00 -0.94 0.00 0.00 52.86 52.29 1xlq s ASN 64 Cb -0.44 -0.05 0.38 0.00 -2.00 0.00 0.00 41.25 39.14 1xlq s ASN 64 CO 0.59 -2.43 1.73 -0.08 -2.94 0.00 0.00 177.10 173.96 1xlq h GLU 65 N -1.20 0.39 -0.42 3.55 4.81 -1.99 -0.49 114.58 119.23 1xlq h GLU 65 Ca -0.40 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1xlq h GLU 65 Cb 1.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1xlq h GLU 65 CO 0.36 0.26 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.78 1xlq h ARG 66 N 0.40 0.75 -0.49 1.92 2.43 -1.95 -2.35 114.38 115.10 1xlq h ARG 66 Ca 0.37 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1xlq h ARG 66 Cb 0.54 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1xlq h ARG 66 CO -0.38 0.85 0.02 1.49 -1.51 0.00 0.00 179.97 180.43 1xlq h GLU 67 N 0.58 0.85 -0.53 0.20 4.81 -1.72 -1.59 114.58 117.18 1xlq h GLU 67 Ca 0.11 -0.26 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1xlq h GLU 67 Cb 0.53 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1xlq h GLU 67 CO 0.03 0.88 0.22 0.82 -0.73 0.00 0.00 179.01 180.23 1xlq h ILE 68 N 0.71 0.87 -0.43 2.32 1.08 -1.03 0.62 117.51 121.65 1xlq h ILE 68 Ca 0.14 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1xlq h ILE 68 Cb 0.49 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1xlq h ILE 68 CO 0.02 0.08 0.15 1.23 -0.69 0.00 0.00 178.15 178.94 1xlq h GLY 69 N 0.43 0.71 2.00 5.37 0.00 -1.21 -2.87 103.07 107.50 1xlq h GLY 69 Ca 0.25 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1xlq h GLY 69 CO -0.22 0.39 -0.39 1.98 0.00 0.00 0.00 176.54 178.29 1xlq h MET 70 N 0.56 0.00 0.00 4.80 1.85 -0.84 -2.21 114.93 119.09 1xlq h MET 70 Ca 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 1xlq h MET 70 Cb 0.24 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.27 1xlq h MET 70 CO -0.01 0.39 0.00 -0.07 -0.40 0.00 0.00 176.91 176.82 1xlq h LEU 71 N 0.00 0.00 -0.06 3.39 3.38 -0.66 -0.60 115.31 120.77 1xlq h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xlq h LEU 71 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xlq h LEU 71 CO 0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 1xlq n GLU 72 N -2.99 0.02 -0.06 1.13 1.02 -0.83 -2.94 120.64 115.99 1xlq n GLU 72 Ca -0.01 0.21 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 1xlq n GLU 72 Cb 0.20 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.16 1xlq n GLU 72 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xlq n SER 73 N -1.58 2.22 -4.70 1.62 3.41 -0.23 -5.02 113.62 109.34 1xlq n SER 73 Ca 0.04 -1.66 -0.40 0.00 -0.26 0.00 0.00 58.87 56.59 1xlq n SER 73 Cb 0.22 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1xlq n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xlq n VAL 74 N 0.46 2.89 0.02 -3.33 0.24 -1.15 -4.90 118.33 112.56 1xlq n VAL 74 Ca 0.07 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.34 61.83 1xlq n VAL 74 Cb 0.31 -1.53 -0.10 0.00 -1.47 0.00 0.00 33.84 31.05 1xlq n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1xlq h THR 75 N 1.79 0.90 -4.17 3.34 1.35 -1.85 -3.47 112.91 110.80 1xlq h THR 75 Ca -0.48 -2.58 -0.47 0.00 -0.55 0.00 0.00 66.41 62.33 1xlq h THR 75 Cb 1.30 2.38 0.08 0.00 -1.73 0.00 0.00 68.15 70.19 1xlq h THR 75 CO 0.58 0.51 0.32 0.00 -0.25 0.00 0.00 175.52 176.68 1xlq s ALA 76 N -2.75 2.95 0.20 6.62 0.00 -1.26 -4.98 121.76 122.55 1xlq s ALA 76 Ca -0.02 -0.71 -0.33 0.00 0.00 0.00 0.00 51.96 50.90 1xlq s ALA 76 Cb 0.08 -2.80 -0.14 0.00 0.00 0.00 0.00 23.12 20.27 1xlq s ALA 76 CO 0.81 -1.35 1.44 -1.91 0.00 0.00 0.00 175.76 174.75 1xlq n GLU 77 N -3.04 1.93 -2.96 0.00 2.13 -1.26 -4.94 120.64 112.49 1xlq n GLU 77 Ca 0.07 0.69 -0.41 0.00 0.66 0.00 0.00 57.16 58.18 1xlq n GLU 77 Cb 0.60 -2.37 -0.04 0.00 0.27 0.00 0.00 31.44 29.90 1xlq n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1xlq s LEU 78 N 0.44 4.25 0.32 4.31 2.96 -1.26 -5.02 118.68 124.68 1xlq s LEU 78 Ca 0.73 1.19 0.10 0.00 -0.22 0.00 0.00 54.13 55.93 1xlq s LEU 78 Cb -0.70 -3.17 -0.06 0.00 0.50 0.00 0.00 46.19 42.77 1xlq s LEU 78 CO 0.46 -0.26 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.62 1xlq s LYS 79 N 1.47 1.92 0.57 1.98 1.02 -1.26 -5.01 119.74 120.42 1xlq s LYS 79 Ca 0.38 -1.80 0.25 0.00 0.02 0.00 0.00 55.97 54.83 1xlq s LYS 79 Cb -0.17 -1.83 1.63 0.00 -0.52 0.00 0.00 37.83 36.94 1xlq s LYS 79 CO 0.16 0.20 2.20 -1.35 -0.92 0.00 0.00 175.35 175.64 1xlq h PRO 80 N 1.99 0.00 -0.61 -1.68 0.11 -2.01 -1.33 132.00 128.48 1xlq h PRO 80 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xlq h PRO 80 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xlq h PRO 80 CO 0.66 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 1xlq n ASN 81 N -4.06 5.38 -4.75 -2.05 6.94 -1.26 -4.97 115.26 110.49 1xlq n ASN 81 Ca -0.02 -2.74 -0.41 0.00 -0.02 0.00 0.00 54.58 51.39 1xlq n ASN 81 Cb 0.13 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 36.87 1xlq n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xlq s SER 82 N -0.84 7.05 0.06 0.53 0.01 -0.50 -1.01 113.70 119.00 1xlq s SER 82 Ca 0.54 2.38 -0.11 0.00 1.31 0.00 0.00 55.95 60.06 1xlq s SER 82 Cb 0.38 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1xlq s SER 82 CO 0.20 -0.35 0.25 -0.13 0.41 0.00 0.00 173.24 173.61 1xlq s ARG 83 N -1.02 0.82 -0.41 12.44 1.81 -0.10 -4.93 118.95 127.57 1xlq s ARG 83 Ca 0.49 -0.70 -0.18 0.00 -1.72 0.00 0.00 55.73 53.62 1xlq s ARG 83 Cb -0.35 0.34 0.01 0.00 -0.45 0.00 0.00 34.95 34.51 1xlq s ARG 83 CO 0.42 -0.26 0.50 -0.51 -0.68 0.00 0.00 175.30 174.77 1xlq s LEU 84 N -2.39 4.64 0.00 2.53 1.43 -1.26 -0.80 118.68 122.82 1xlq s LEU 84 Ca -0.01 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1xlq s LEU 84 Cb 0.01 -2.51 0.46 0.00 0.03 0.00 0.00 46.19 44.19 1xlq s LEU 84 CO -0.07 -0.59 1.22 0.00 0.23 0.00 0.00 176.35 177.14 1xlq n GLN 87 N -1.88 0.71 -3.44 0.00 1.13 -0.21 -4.81 117.38 108.88 1xlq n GLN 87 Ca 0.04 -0.53 -0.43 0.00 -1.94 0.00 0.00 57.00 54.14 1xlq n GLN 87 Cb 0.29 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.05 1xlq n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xlq s ILE 88 N -2.66 5.23 -0.19 5.09 1.01 -1.03 -5.00 121.20 123.64 1xlq s ILE 88 Ca 0.17 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 1xlq s ILE 88 Cb 0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1xlq s ILE 88 CO 0.64 -0.30 0.32 -0.63 0.00 0.00 0.00 174.94 174.97 1xlq s ILE 89 N 1.77 5.26 0.33 2.92 -1.09 -1.26 -1.45 121.20 127.68 1xlq s ILE 89 Ca 0.06 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 58.77 1xlq s ILE 89 Cb -0.18 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1xlq s ILE 89 CO 0.11 0.31 1.31 -0.32 -1.23 0.00 0.00 174.94 175.12 1xlq s MET 90 N 0.98 4.35 0.12 2.79 1.75 0.03 -4.87 119.30 124.46 1xlq s MET 90 Ca 0.16 2.22 -0.06 0.00 -1.25 0.00 0.00 55.69 56.76 1xlq s MET 90 Cb -0.14 -3.07 -0.02 0.00 2.84 0.00 0.00 34.83 34.44 1xlq s MET 90 CO 0.06 -0.19 0.17 0.95 -0.65 0.00 0.00 175.02 175.36 1xlq s THR 91 N -1.12 0.11 0.54 10.11 -4.23 -1.26 -2.10 115.64 117.68 1xlq s THR 91 Ca 0.49 -1.49 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1xlq s THR 91 Cb -0.40 -1.70 0.29 0.00 1.34 0.00 0.00 72.50 72.03 1xlq s THR 91 CO 0.53 -0.52 2.17 -0.65 -0.54 0.00 0.00 174.62 175.61 1xlq h PRO 92 N 2.75 0.00 0.00 3.99 0.11 -1.96 -1.64 132.00 135.25 1xlq h PRO 92 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1xlq h PRO 92 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xlq h PRO 92 CO 0.55 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 179.17 1xlq h GLU 93 N 0.00 0.00 -0.40 1.05 3.07 -1.98 -2.03 114.58 114.28 1xlq h GLU 93 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xlq h GLU 93 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1xlq h GLU 93 CO 0.00 0.11 0.00 1.28 -1.40 0.00 0.00 179.01 179.00 1xlq n LEU 94 N -3.94 2.33 -4.65 1.33 4.77 -0.62 -4.95 117.00 111.27 1xlq n LEU 94 Ca -0.02 -1.13 -0.49 0.00 -0.03 0.00 0.00 56.01 54.33 1xlq n LEU 94 Cb 0.20 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1xlq n LEU 94 CO 0.32 0.57 1.16 -0.67 -1.33 0.00 0.00 177.39 177.43 1xlq n ASP 95 N 0.77 2.62 0.00 -1.43 -0.08 -0.77 -0.80 116.55 116.87 1xlq n ASP 95 Ca 0.15 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 1xlq n ASP 95 Cb 0.38 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1xlq n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xlq n GLY 96 N 3.36 0.82 3.63 0.27 0.00 0.11 -4.89 105.19 108.49 1xlq n GLY 96 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 1xlq n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xlq n ILE 97 N -2.00 0.83 -4.85 -0.61 3.06 0.02 -4.67 119.36 111.15 1xlq n ILE 97 Ca 0.00 -0.21 -0.33 0.00 -2.50 0.00 0.00 62.75 59.71 1xlq n ILE 97 Cb 0.00 -1.18 -0.14 0.00 0.54 0.00 0.00 39.64 38.86 1xlq n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xlq s VAL 98 N -0.04 3.02 -0.01 9.51 1.01 -1.26 -1.03 120.40 131.59 1xlq s VAL 98 Ca 0.72 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1xlq s VAL 98 Cb -0.75 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1xlq s VAL 98 CO 0.50 0.56 -0.10 0.68 0.00 0.00 0.00 175.10 176.74 1xlq s VAL 99 N -0.17 0.82 -0.18 2.92 -7.23 -0.03 -0.92 120.40 115.60 1xlq s VAL 99 Ca -0.00 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 1xlq s VAL 99 Cb -0.13 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1xlq s VAL 99 CO 0.03 0.24 0.11 -1.81 -0.31 0.00 0.00 175.10 173.37 1xlq s ASP 100 N -0.11 6.07 -0.21 4.85 -0.00 0.12 -0.73 116.67 126.66 1xlq s ASP 100 Ca 0.02 0.22 -0.16 0.00 -0.00 0.00 0.00 52.55 52.63 1xlq s ASP 100 Cb -0.06 -2.05 -0.04 0.00 -0.00 0.00 0.00 42.92 40.78 1xlq s ASP 100 CO -0.00 0.21 0.41 -0.69 -0.00 0.00 0.00 175.17 175.09 1xlq s VAL 101 N 0.18 5.18 0.85 -1.27 1.01 0.60 -0.54 120.40 126.41 1xlq s VAL 101 Ca 0.08 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 1xlq s VAL 101 Cb -0.11 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.62 1xlq s VAL 101 CO -0.01 0.23 1.07 -2.65 0.00 0.00 0.00 175.10 173.75 1xlq n PRO 102 N 4.64 -0.07 0.26 2.72 -0.02 -1.26 -3.08 135.00 138.19 1xlq n PRO 102 Ca -0.08 0.05 0.17 0.00 -2.02 0.00 0.00 63.50 61.63 1xlq n PRO 102 Cb 0.51 -2.33 0.78 0.00 -0.02 0.00 0.00 33.50 32.43 1xlq n PRO 102 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xlq h ASP 103 N -1.26 0.00 -4.84 2.55 3.04 -1.95 -3.44 116.42 110.52 1xlq h ASP 103 Ca -0.45 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.21 1xlq h ASP 103 Cb 1.29 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.37 1xlq h ASP 103 CO 0.43 0.00 -0.39 0.00 -2.04 0.00 0.00 179.24 177.24 1xlq s ARG 104 N -3.71 0.54 0.00 4.15 1.70 -1.26 -5.04 118.95 115.32 1xlq s ARG 104 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1xlq s ARG 104 Cb 0.10 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1xlq s ARG 104 CO 0.45 -0.13 0.00 1.04 -1.08 0.00 0.00 175.30 175.58 1xlq n GLN 105 N 1.55 0.00 0.00 3.89 1.13 -1.26 -4.10 117.38 118.59 1xlq n GLN 105 Ca -0.21 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.00 1xlq n GLN 105 Cb 0.56 -0.94 0.73 0.00 0.11 0.00 0.00 30.24 30.69 1xlq n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53