#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 4.35 -0.04 1.43 2.20 -1.26 0.04 119.74 126.47 1xlq s LYS 2 Ca 0.00 1.90 0.02 0.00 -0.36 0.00 0.00 55.97 57.53 1xlq s LYS 2 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1xlq s LYS 2 CO 0.00 -0.41 -0.08 0.08 -0.36 0.00 0.00 175.35 174.58 1xlq s VAL 3 N 1.56 0.75 -0.18 4.02 1.01 -0.59 0.17 120.40 127.13 1xlq s VAL 3 Ca 0.61 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1xlq s VAL 3 Cb -0.32 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1xlq s VAL 3 CO 0.28 0.25 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 1xlq s VAL 4 N 0.45 2.75 -0.34 2.92 1.01 -0.22 -0.95 120.40 126.01 1xlq s VAL 4 Ca -0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1xlq s VAL 4 Cb -0.11 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1xlq s VAL 4 CO 0.01 0.49 0.16 -0.31 0.00 0.00 0.00 175.10 175.45 1xlq s TYR 5 N 1.17 3.21 -0.29 5.22 1.51 0.25 -1.04 117.35 127.39 1xlq s TYR 5 Ca 0.02 -0.89 -0.13 0.00 -1.01 0.00 0.00 57.07 55.05 1xlq s TYR 5 Cb -0.14 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1xlq s TYR 5 CO -0.05 -0.59 0.28 0.08 -1.11 0.00 0.00 175.55 174.16 1xlq s VAL 6 N 1.55 5.25 0.89 0.71 1.01 -0.06 -1.25 120.40 128.49 1xlq s VAL 6 Ca 0.02 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1xlq s VAL 6 Cb -0.18 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.69 1xlq s VAL 6 CO 0.06 0.17 1.09 -0.94 0.00 0.00 0.00 175.10 175.47 1xlq s SER 7 N 1.71 3.49 0.58 3.32 1.04 -0.48 -0.46 113.70 122.89 1xlq s SER 7 Ca 0.10 1.55 0.28 0.00 0.48 0.00 0.00 55.95 58.36 1xlq s SER 7 Cb -0.16 -2.22 1.62 0.00 0.10 0.00 0.00 66.02 65.36 1xlq s SER 7 CO 0.11 -2.64 2.10 -0.74 0.98 0.00 0.00 173.24 173.04 1xlq h HIS 8 N -1.55 0.00 -0.07 5.02 2.76 -1.76 0.77 115.15 120.32 1xlq h HIS 8 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 1xlq h HIS 8 Cb 1.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.24 1xlq h HIS 8 CO 0.44 0.00 0.00 -0.40 -1.30 0.00 0.00 177.93 176.67 1xlq n ASP 9 N -3.89 1.27 0.00 3.26 5.75 -1.26 -4.92 116.55 116.77 1xlq n ASP 9 Ca 0.02 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1xlq n ASP 9 Cb 0.33 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.11 0.55 3.65 6.12 0.00 0.26 -5.05 105.19 111.83 1xlq n GLY 10 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1xlq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xlq s THR 11 N -2.15 4.04 -0.27 2.61 2.01 -1.26 -4.76 115.64 115.87 1xlq s THR 11 Ca 0.00 1.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 1xlq s THR 11 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1xlq s THR 11 CO 0.00 -0.26 0.77 -0.13 -0.69 0.00 0.00 174.62 174.31 1xlq s ARG 12 N 3.99 4.10 -0.24 4.92 0.52 -1.26 -1.39 118.95 129.59 1xlq s ARG 12 Ca 0.61 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 56.56 1xlq s ARG 12 Cb -0.22 -3.67 0.04 0.00 0.52 0.00 0.00 34.95 31.61 1xlq s ARG 12 CO 0.22 -0.54 -0.11 1.03 0.02 0.00 0.00 175.30 175.92 1xlq s ARG 13 N 2.79 2.64 -0.09 3.54 0.52 -0.38 -4.96 118.95 123.00 1xlq s ARG 13 Ca 0.32 -1.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 1xlq s ARG 13 Cb -0.15 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1xlq s ARG 13 CO 0.09 -0.42 0.33 -2.00 0.02 0.00 0.00 175.30 173.32 1xlq s GLU 14 N 1.23 4.02 0.05 3.54 2.12 -1.26 -0.58 118.70 127.82 1xlq s GLU 14 Ca -0.02 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.57 1xlq s GLU 14 Cb -0.17 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1xlq s GLU 14 CO -0.07 0.48 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.48 1xlq s LEU 15 N -0.31 2.21 -0.43 2.70 1.43 -0.13 -4.99 118.68 119.17 1xlq s LEU 15 Ca 0.20 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1xlq s LEU 15 Cb -0.14 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.51 1xlq s LEU 15 CO 0.08 -0.00 0.42 -0.62 0.23 0.00 0.00 176.35 176.46 1xlq s ASP 16 N -1.39 6.18 -0.19 2.29 3.68 -1.26 -1.54 116.67 124.44 1xlq s ASP 16 Ca 0.01 -0.78 -0.06 0.00 2.13 0.00 0.00 52.55 53.84 1xlq s ASP 16 Cb -0.09 -2.21 -0.03 0.00 -1.45 0.00 0.00 42.92 39.14 1xlq s ASP 16 CO 0.02 -0.58 0.03 -0.69 0.13 0.00 0.00 175.17 174.07 1xlq s VAL 17 N 2.04 4.35 0.60 1.11 1.01 0.11 -4.73 120.40 124.89 1xlq s VAL 17 Ca 0.10 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1xlq s VAL 17 Cb -0.18 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1xlq s VAL 17 CO 0.12 0.44 1.11 0.00 0.00 0.00 0.00 175.10 176.78 1xlq s ALA 18 N 0.66 2.60 0.31 5.51 0.00 -1.26 -0.16 121.76 129.42 1xlq s ALA 18 Ca 0.01 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1xlq s ALA 18 Cb -0.14 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 1xlq s ALA 18 CO 0.02 -1.00 1.45 -0.25 0.00 0.00 0.00 175.76 175.98 1xlq n ASP 19 N -1.87 3.30 0.00 0.00 8.00 -1.26 -2.42 116.55 122.30 1xlq n ASP 19 Ca 0.11 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1xlq n ASP 19 Cb 0.52 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1xlq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xlq n GLY 20 N 1.40 0.94 3.79 0.44 0.00 -0.35 -4.99 105.19 106.43 1xlq n GLY 20 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 5.41 0.62 1.61 1.01 -1.01 -4.82 120.40 119.90 1xlq s VAL 21 Ca 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1xlq s VAL 21 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1xlq s VAL 21 CO 0.00 0.51 1.07 -0.94 0.00 0.00 0.00 175.10 175.74 1xlq s SER 22 N -0.25 5.58 0.50 3.32 1.04 -1.26 -1.13 113.70 121.50 1xlq s SER 22 Ca 0.13 1.85 0.26 0.00 0.48 0.00 0.00 55.95 58.66 1xlq s SER 22 Cb -0.12 -2.53 1.32 0.00 0.10 0.00 0.00 66.02 64.78 1xlq s SER 22 CO 0.02 -1.31 2.01 -0.07 0.98 0.00 0.00 173.24 174.88 1xlq h LEU 23 N 0.24 0.00 -0.06 2.42 4.07 -0.96 -2.18 115.31 118.84 1xlq h LEU 23 Ca -0.47 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.46 1xlq h LEU 23 Cb 1.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 1xlq h LEU 23 CO 0.56 0.15 -0.09 -0.03 -1.08 0.00 0.00 178.44 177.96 1xlq h MET 24 N 0.00 0.17 -0.65 1.13 4.05 -1.79 -2.24 114.93 115.61 1xlq h MET 24 Ca -0.00 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1xlq h MET 24 Cb 0.43 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1xlq h MET 24 CO 0.02 0.65 0.40 0.37 0.23 0.00 0.00 176.91 178.59 1xlq h GLN 25 N -0.30 0.77 -0.64 0.39 4.15 -1.79 -0.86 115.11 116.83 1xlq h GLN 25 Ca 0.01 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1xlq h GLN 25 Cb 0.64 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1xlq h GLN 25 CO 0.02 0.51 0.23 0.00 -1.93 0.00 0.00 178.83 177.66 1xlq h ALA 26 N 1.28 0.84 0.25 3.38 0.00 -1.45 -2.43 119.26 121.13 1xlq h ALA 26 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xlq h ALA 26 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xlq h ALA 26 CO -0.10 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1xlq h ALA 27 N 1.09 -0.33 0.00 0.00 0.00 -0.74 -2.30 119.26 116.98 1xlq h ALA 27 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xlq h ALA 27 Cb 0.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xlq h ALA 27 CO -0.01 -0.63 0.00 -0.39 0.00 0.00 0.00 179.25 178.22 1xlq h VAL 28 N -0.44 0.00 -0.01 0.00 -1.51 -1.18 -1.36 116.25 111.74 1xlq h VAL 28 Ca -0.03 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1xlq h VAL 28 Cb 0.34 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1xlq h VAL 28 CO 0.06 0.00 -0.24 -1.20 -1.23 0.00 0.00 177.57 174.95 1xlq n SER 29 N -2.68 1.64 -1.82 4.19 7.64 -0.92 -4.37 113.62 117.29 1xlq n SER 29 Ca 0.01 -1.31 -0.01 0.00 1.01 0.00 0.00 58.87 58.57 1xlq n SER 29 Cb 0.26 0.19 0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1xlq n SER 29 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1xlq n ASN 30 N -0.08 1.82 -0.04 6.43 3.02 -0.82 -5.01 115.26 120.59 1xlq n ASN 30 Ca 0.13 -2.57 -0.01 0.00 -0.03 0.00 0.00 54.58 52.10 1xlq n ASN 30 Cb 0.41 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.28 0.40 3.02 7.41 0.00 -1.18 -4.92 105.19 109.64 1xlq n GLY 31 Ca 0.14 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xlq n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xlq n ILE 32 N -2.73 3.85 0.27 -0.61 2.08 -0.58 -4.77 119.36 116.88 1xlq n ILE 32 Ca -0.01 -3.74 0.18 0.00 0.56 0.00 0.00 62.75 59.74 1xlq n ILE 32 Cb 0.15 -2.48 0.89 0.00 -0.75 0.00 0.00 39.64 37.45 1xlq n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1xlq h TYR 33 N 6.39 0.00 0.00 1.39 -0.00 -1.91 -2.26 116.97 120.58 1xlq h TYR 33 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.21 1xlq h TYR 33 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.44 1xlq h TYR 33 CO 1.37 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 179.13 1xlq n ASP 34 N -3.28 0.00 -4.18 0.10 5.75 -1.26 -4.52 116.55 109.16 1xlq n ASP 34 Ca -0.00 -1.24 -0.31 0.00 -0.01 0.00 0.00 54.79 53.23 1xlq n ASP 34 Cb 0.33 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.26 1xlq n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xlq s ILE 35 N -2.00 1.96 -0.25 2.12 1.01 -0.85 -4.76 121.20 118.44 1xlq s ILE 35 Ca 0.32 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 1xlq s ILE 35 Cb 0.15 -1.72 -0.15 0.00 0.01 0.00 0.00 42.46 40.74 1xlq s ILE 35 CO 0.25 0.54 -0.16 0.52 0.00 0.00 0.00 174.94 176.08 1xlq n VAL 36 N 3.80 1.54 -3.40 2.92 0.31 -0.33 -4.70 118.33 118.46 1xlq n VAL 36 Ca -0.20 -0.35 -0.20 0.00 -0.01 0.00 0.00 64.34 63.58 1xlq n VAL 36 Cb 0.52 -1.84 0.07 0.00 -0.91 0.00 0.00 33.84 31.68 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 1.49 -0.28 0.22 2.92 0.00 -0.98 -4.93 105.19 103.64 1xlq n GLY 37 Ca -0.47 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.22 -0.38 0.67 1.61 -0.00 -1.96 -1.76 116.42 112.37 1xlq h ASP 38 Ca -0.47 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1xlq h ASP 38 Cb 1.30 0.30 0.00 0.00 -0.00 0.00 0.00 39.33 40.93 1xlq h ASP 38 CO 0.46 -0.14 0.00 0.00 -0.00 0.00 0.00 179.24 179.55 1xlq n GLY 40 N 0.78 0.75 0.00 0.00 0.00 -0.66 -4.45 105.19 101.60 1xlq n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.20 1.88 0.70 -0.02 0.00 -1.26 -5.03 105.19 99.26 1xlq n GLY 41 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 3.27 -3.69 1.61 3.41 -1.26 -4.86 113.62 112.10 1xlq n SER 42 Ca 0.00 -3.15 -0.24 0.00 -0.26 0.00 0.00 58.87 55.22 1xlq n SER 42 Cb 0.00 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 63.48 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 -0.84 -1.59 0.11 7.33 0.00 -1.26 -4.91 120.51 119.35 1xlq n ALA 43 Ca 0.21 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.80 1xlq n ALA 43 Cb 0.84 -3.85 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 -2.99 0.79 0.00 0.00 7.64 -1.26 -4.74 113.62 113.06 1xlq n SER 44 Ca -0.10 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1xlq n SER 44 Cb 0.60 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.15 -0.13 -0.99 0.00 0.00 -1.26 -4.91 120.51 112.07 1xlq n ALA 46 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xlq n ALA 46 Cb 0.14 -1.18 0.35 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.68 2.87 -1.65 0.00 -2.24 -1.26 -3.97 114.28 105.35 1xlq n THR 47 Ca -0.09 -1.55 0.06 0.00 -2.27 0.00 0.00 64.05 60.21 1xlq n THR 47 Cb 0.32 -0.32 0.12 0.00 -2.10 0.00 0.00 70.33 68.35 1xlq n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlq n HIS 49 N -0.76 2.76 -3.96 0.00 -0.00 -1.25 -1.39 115.22 110.61 1xlq n HIS 49 Ca 0.13 0.11 -0.09 0.00 -0.00 0.00 0.00 57.72 57.87 1xlq n HIS 49 Cb 0.75 -2.65 -0.08 0.00 -0.00 0.00 0.00 29.99 28.02 1xlq n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xlq s VAL 50 N 0.80 0.10 -0.30 3.57 -7.23 -0.19 -4.33 120.40 112.83 1xlq s VAL 50 Ca 0.72 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 1xlq s VAL 50 Cb -0.51 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1xlq s VAL 50 CO 0.37 -0.48 0.08 -0.31 -0.31 0.00 0.00 175.10 174.45 1xlq s TYR 51 N -3.94 3.17 0.00 2.82 1.51 0.83 -0.82 117.35 120.91 1xlq s TYR 51 Ca 0.14 -1.12 -0.29 0.00 -1.01 0.00 0.00 57.07 54.79 1xlq s TYR 51 Cb 0.05 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1xlq s TYR 51 CO -0.04 -0.62 0.95 0.08 -1.11 0.00 0.00 175.55 174.81 1xlq s VAL 52 N 1.47 4.86 0.25 0.71 1.01 -0.27 -0.65 120.40 127.77 1xlq s VAL 52 Ca 0.01 1.99 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 1xlq s VAL 52 Cb -0.18 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.79 1xlq s VAL 52 CO 0.02 0.18 1.56 -3.20 0.00 0.00 0.00 175.10 173.67 1xlq n ASN 53 N 3.79 3.48 0.00 3.32 2.85 -0.41 -4.72 115.26 123.58 1xlq n ASN 53 Ca 0.05 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 1xlq n ASN 53 Cb 0.51 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 40.00 1xlq n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xlq n GLU 54 N 2.58 0.00 0.00 1.20 -0.58 -1.26 -0.50 120.64 122.09 1xlq n GLU 54 Ca 0.12 0.37 0.13 0.00 -0.42 0.00 0.00 57.16 57.36 1xlq n GLU 54 Cb 0.34 -1.52 0.50 0.00 -0.57 0.00 0.00 31.44 30.19 1xlq n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xlq n ALA 55 N -1.37 2.68 -0.07 0.62 0.00 -1.26 -4.01 120.51 117.10 1xlq n ALA 55 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xlq n ALA 55 Cb 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.54 0.00 0.06 0.00 3.01 0.35 -4.80 117.46 114.54 1xlq n PHE 56 Ca 0.06 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.67 1xlq n PHE 56 Cb 0.34 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.07 0.86 -0.01 4.37 1.35 -1.63 -1.28 112.91 116.63 1xlq h THR 57 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1xlq h THR 57 Cb 0.03 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1xlq h THR 57 CO 0.00 0.02 -0.48 -0.90 -0.25 0.00 0.00 175.52 173.91 1xlq n ASP 58 N -4.45 1.25 0.08 5.36 5.75 -1.26 -3.96 116.55 119.32 1xlq n ASP 58 Ca 0.06 -1.00 0.12 0.00 -0.01 0.00 0.00 54.79 53.96 1xlq n ASP 58 Cb 0.39 0.39 0.08 0.00 -1.03 0.00 0.00 41.12 40.95 1xlq n ASP 58 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1xlq h LYS 59 N 1.21 0.00 -5.85 0.11 1.57 -1.54 -3.46 116.57 108.61 1xlq h LYS 59 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1xlq h LYS 59 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1xlq h LYS 59 CO 0.00 0.00 -0.46 0.14 -0.57 0.00 0.00 179.45 178.56 1xlq s VAL 60 N -3.27 5.39 0.34 0.50 -7.23 -1.12 -5.00 120.40 110.02 1xlq s VAL 60 Ca 0.03 -0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 1xlq s VAL 60 Cb 0.11 -3.55 -0.12 0.00 0.56 0.00 0.00 36.38 33.37 1xlq s VAL 60 CO 0.76 0.31 1.22 -2.65 -0.31 0.00 0.00 175.10 174.43 1xlq n PRO 61 N 0.91 1.93 -1.58 4.82 -0.02 -1.26 -4.91 135.00 134.90 1xlq n PRO 61 Ca -0.10 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 1xlq n PRO 61 Cb 0.52 -2.22 0.08 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.10 2.24 0.27 3.55 0.00 -1.26 -4.91 121.76 120.54 1xlq s ALA 62 Ca 0.57 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.34 1xlq s ALA 62 Cb -0.59 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 18.89 1xlq s ALA 62 CO 0.61 -1.77 1.53 0.00 0.00 0.00 0.00 175.76 176.13 1xlq s ALA 63 N -1.60 3.70 0.93 0.00 0.00 -1.26 -5.00 121.76 118.53 1xlq s ALA 63 Ca 0.80 1.46 -0.15 0.00 0.00 0.00 0.00 51.96 54.07 1xlq s ALA 63 Cb -0.35 -3.61 0.18 0.00 0.00 0.00 0.00 23.12 19.35 1xlq s ALA 63 CO 0.42 -0.87 1.29 0.54 0.00 0.00 0.00 175.76 177.15 1xlq s ASN 64 N 0.48 3.34 0.42 0.00 2.20 -1.26 -4.75 114.94 115.36 1xlq s ASN 64 Ca 0.62 0.28 0.12 0.00 -0.94 0.00 0.00 52.86 52.94 1xlq s ASN 64 Cb -0.45 -0.39 0.98 0.00 -2.00 0.00 0.00 41.25 39.39 1xlq s ASN 64 CO 0.45 -2.59 1.99 -0.08 -2.94 0.00 0.00 177.10 173.92 1xlq h GLU 65 N -1.51 0.45 -0.13 3.55 4.57 -1.99 -0.91 114.58 118.61 1xlq h GLU 65 Ca -0.44 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1xlq h GLU 65 Cb 1.25 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1xlq h GLU 65 CO 0.41 0.30 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.34 1xlq h ARG 66 N 0.46 0.31 -0.61 1.92 2.43 -1.95 -2.31 114.38 114.63 1xlq h ARG 66 Ca 0.27 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1xlq h ARG 66 Cb 0.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1xlq h ARG 66 CO -0.08 0.68 0.35 1.49 -1.51 0.00 0.00 179.97 180.91 1xlq h GLU 67 N -0.06 0.84 -0.53 0.20 4.81 -1.72 -0.53 114.58 117.60 1xlq h GLU 67 Ca 0.02 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1xlq h GLU 67 Cb 0.62 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1xlq h GLU 67 CO 0.03 0.62 0.25 0.82 -0.73 0.00 0.00 179.01 180.00 1xlq h ILE 68 N 0.83 0.92 -0.51 2.32 2.04 -1.15 0.20 117.51 122.16 1xlq h ILE 68 Ca 0.22 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1xlq h ILE 68 Cb 0.01 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1xlq h ILE 68 CO -0.04 0.09 -0.00 1.23 0.00 0.00 0.00 178.15 179.43 1xlq h GLY 69 N 0.48 0.98 1.75 5.37 0.00 -1.05 -3.06 103.07 107.53 1xlq h GLY 69 Ca 0.24 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1xlq h GLY 69 CO -0.18 0.66 -0.40 1.98 0.00 0.00 0.00 176.54 178.60 1xlq h MET 70 N 0.77 0.28 -0.06 4.80 1.85 -0.55 -2.85 114.93 119.18 1xlq h MET 70 Ca 0.14 -0.13 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1xlq h MET 70 Cb 0.53 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 1xlq h MET 70 CO 0.03 0.64 0.05 -0.07 -0.40 0.00 0.00 176.91 177.16 1xlq h LEU 71 N 0.24 0.00 -1.82 3.39 3.38 -0.52 -0.56 115.31 119.42 1xlq h LEU 71 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xlq h LEU 71 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xlq h LEU 71 CO 0.06 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.26 1xlq h GLU 72 N 0.00 0.00 -0.15 1.13 4.39 -1.54 -2.53 114.58 115.89 1xlq h GLU 72 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xlq h GLU 72 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1xlq h GLU 72 CO -0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 1xlq n SER 73 N -2.70 2.93 -4.69 1.42 3.41 -0.22 -4.98 113.62 108.79 1xlq n SER 73 Ca -0.01 -1.94 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 1xlq n SER 73 Cb 0.14 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.23 3.30 0.08 -3.33 0.24 -0.95 -4.91 118.33 113.98 1xlq n VAL 74 Ca 0.16 -0.50 0.05 0.00 -2.04 0.00 0.00 64.34 62.01 1xlq n VAL 74 Cb 0.57 -1.49 -0.03 0.00 -1.47 0.00 0.00 33.84 31.42 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 1.45 0.32 -2.79 3.34 1.35 -1.86 -3.47 112.91 111.25 1xlq h THR 75 Ca -0.49 -1.59 -0.46 0.00 -0.55 0.00 0.00 66.41 63.32 1xlq h THR 75 Cb 1.32 1.87 0.10 0.00 -1.73 0.00 0.00 68.15 69.71 1xlq h THR 75 CO 0.57 0.18 0.20 0.00 -0.25 0.00 0.00 175.52 176.22 1xlq s ALA 76 N -3.11 3.26 0.20 6.62 0.00 -1.26 -4.99 121.76 122.48 1xlq s ALA 76 Ca -0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 51.96 50.11 1xlq s ALA 76 Cb 0.09 -2.26 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1xlq s ALA 76 CO 0.79 -1.70 1.71 -1.91 0.00 0.00 0.00 175.76 174.64 1xlq n GLU 77 N -3.09 2.68 -3.04 0.00 2.13 -1.26 -4.95 120.64 113.11 1xlq n GLU 77 Ca 0.14 0.97 -0.40 0.00 0.66 0.00 0.00 57.16 58.53 1xlq n GLU 77 Cb 0.60 -2.80 -0.05 0.00 0.27 0.00 0.00 31.44 29.46 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 1.18 4.17 0.38 4.31 2.96 -1.26 -5.02 118.68 125.39 1xlq s LEU 78 Ca 0.76 0.97 0.08 0.00 -0.22 0.00 0.00 54.13 55.72 1xlq s LEU 78 Cb -0.53 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1xlq s LEU 78 CO 0.33 -0.30 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.52 1xlq s LYS 79 N 1.89 1.96 0.51 1.98 1.02 -1.26 -5.01 119.74 120.82 1xlq s LYS 79 Ca 0.32 -1.96 0.17 0.00 0.02 0.00 0.00 55.97 54.52 1xlq s LYS 79 Cb -0.16 -1.75 1.24 0.00 -0.52 0.00 0.00 37.83 36.64 1xlq s LYS 79 CO 0.11 0.04 2.09 -1.35 -0.92 0.00 0.00 175.35 175.33 1xlq h PRO 80 N 1.83 0.08 -0.64 -1.68 0.11 -2.01 -1.43 132.00 128.25 1xlq h PRO 80 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xlq h PRO 80 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xlq h PRO 80 CO 0.74 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 1xlq n ASN 81 N -4.49 4.63 -4.74 -2.05 6.94 -1.26 -4.95 115.26 109.34 1xlq n ASN 81 Ca 0.01 -2.54 -0.41 0.00 -0.02 0.00 0.00 54.58 51.62 1xlq n ASN 81 Cb 0.23 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.79 7.01 0.05 0.53 0.01 -0.54 -1.11 113.70 118.85 1xlq s SER 82 Ca 0.47 2.32 -0.06 0.00 1.31 0.00 0.00 55.95 59.99 1xlq s SER 82 Cb 0.32 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1xlq s SER 82 CO 0.19 -0.43 0.11 -0.13 0.41 0.00 0.00 173.24 173.40 1xlq s ARG 83 N -0.35 0.64 -0.44 12.44 1.81 -0.00 -4.93 118.95 128.11 1xlq s ARG 83 Ca 0.53 -0.81 -0.19 0.00 -1.72 0.00 0.00 55.73 53.54 1xlq s ARG 83 Cb -0.34 0.25 0.03 0.00 -0.45 0.00 0.00 34.95 34.44 1xlq s ARG 83 CO 0.38 -0.17 0.57 -0.51 -0.68 0.00 0.00 175.30 174.90 1xlq s LEU 84 N -2.29 4.71 0.00 2.53 1.43 -1.26 -1.02 118.68 122.77 1xlq s LEU 84 Ca -0.03 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1xlq s LEU 84 Cb 0.01 -2.56 0.40 0.00 0.03 0.00 0.00 46.19 44.06 1xlq s LEU 84 CO -0.06 -0.73 1.16 0.00 0.23 0.00 0.00 176.35 176.95 1xlq n GLN 87 N -1.96 2.01 -3.79 0.00 1.13 -0.03 -4.79 117.38 109.96 1xlq n GLN 87 Ca 0.04 -1.49 -0.37 0.00 -1.94 0.00 0.00 57.00 53.24 1xlq n GLN 87 Cb 0.28 -1.47 -0.13 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.93 3.66 -0.16 5.09 1.01 -0.96 -4.92 121.20 122.98 1xlq s ILE 88 Ca 0.34 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1xlq s ILE 88 Cb 0.20 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1xlq s ILE 88 CO 0.31 -0.08 0.30 -0.63 0.00 0.00 0.00 174.94 174.85 1xlq s ILE 89 N 1.40 5.30 0.40 2.92 -1.09 -1.26 -1.19 121.20 127.68 1xlq s ILE 89 Ca -0.01 0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 58.73 1xlq s ILE 89 Cb -0.19 -3.64 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1xlq s ILE 89 CO 0.02 0.37 1.19 -0.32 -1.23 0.00 0.00 174.94 174.97 1xlq s MET 90 N 0.56 4.02 0.17 2.79 1.75 -0.28 -4.87 119.30 123.44 1xlq s MET 90 Ca 0.17 1.88 -0.11 0.00 -1.25 0.00 0.00 55.69 56.37 1xlq s MET 90 Cb -0.13 -2.67 0.00 0.00 2.84 0.00 0.00 34.83 34.87 1xlq s MET 90 CO 0.04 -0.36 0.35 0.95 -0.65 0.00 0.00 175.02 175.36 1xlq s THR 91 N -1.40 0.05 0.41 10.11 -4.23 -1.26 -1.21 115.64 118.12 1xlq s THR 91 Ca 0.57 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1xlq s THR 91 Cb -0.32 -1.76 0.26 0.00 1.34 0.00 0.00 72.50 72.02 1xlq s THR 91 CO 0.40 -0.25 2.05 -0.65 -0.54 0.00 0.00 174.62 175.63 1xlq h PRO 92 N 2.45 0.50 0.00 3.99 0.11 -1.96 -1.91 132.00 135.17 1xlq h PRO 92 Ca -0.31 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xlq h PRO 92 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xlq h PRO 92 CO 0.45 0.35 -0.02 0.93 -0.21 0.00 0.00 178.00 179.50 1xlq h GLU 93 N 0.51 0.00 -0.50 1.05 3.07 -2.00 -1.62 114.58 115.10 1xlq h GLU 93 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1xlq h GLU 93 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1xlq h GLU 93 CO -0.03 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.88 1xlq n LEU 94 N -3.57 3.26 -4.65 1.33 4.77 -0.72 -4.98 117.00 112.45 1xlq n LEU 94 Ca -0.03 -1.53 -0.50 0.00 -0.03 0.00 0.00 56.01 53.92 1xlq n LEU 94 Cb 0.10 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1xlq n LEU 94 CO 0.25 0.76 1.15 -0.67 -1.33 0.00 0.00 177.39 177.56 1xlq n ASP 95 N 1.31 2.51 0.00 -1.43 -0.08 -0.61 -0.84 116.55 117.41 1xlq n ASP 95 Ca 0.20 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1xlq n ASP 95 Cb 0.54 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.71 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 3.34 0.59 3.65 0.27 0.00 0.13 -4.90 105.19 108.26 1xlq n GLY 96 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 1.32 -5.10 -0.61 3.06 -0.02 -4.70 119.36 111.31 1xlq n ILE 97 Ca 0.00 -0.33 -0.32 0.00 -2.50 0.00 0.00 62.75 59.60 1xlq n ILE 97 Cb 0.00 -1.33 -0.16 0.00 0.54 0.00 0.00 39.64 38.69 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 -0.45 2.36 -0.02 9.51 1.01 -1.26 -1.06 120.40 130.49 1xlq s VAL 98 Ca 0.65 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1xlq s VAL 98 Cb -0.67 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1xlq s VAL 98 CO 0.54 0.55 -0.13 0.68 0.00 0.00 0.00 175.10 176.75 1xlq s VAL 99 N 0.19 1.07 -0.18 2.92 -7.23 -0.20 -1.28 120.40 115.68 1xlq s VAL 99 Ca -0.12 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.41 1xlq s VAL 99 Cb -0.16 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1xlq s VAL 99 CO 0.07 0.31 0.08 -1.81 -0.31 0.00 0.00 175.10 173.44 1xlq s ASP 100 N -0.12 5.82 -0.14 4.85 1.01 0.17 -0.88 116.67 127.37 1xlq s ASP 100 Ca 0.01 0.14 -0.13 0.00 0.71 0.00 0.00 52.55 53.28 1xlq s ASP 100 Cb -0.07 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 1xlq s ASP 100 CO 0.00 0.19 0.27 -0.69 0.21 0.00 0.00 175.17 175.15 1xlq s VAL 101 N 0.31 5.31 1.08 -1.27 1.01 0.39 -0.12 120.40 127.10 1xlq s VAL 101 Ca 0.05 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1xlq s VAL 101 Cb -0.12 -3.60 0.23 0.00 0.00 0.00 0.00 36.38 32.90 1xlq s VAL 101 CO -0.00 0.45 1.07 -2.16 0.00 0.00 0.00 175.10 174.45 1xlq s PRO 102 N 0.08 -0.20 0.00 2.72 0.04 -1.26 -2.64 135.00 133.74 1xlq s PRO 102 Ca 0.16 0.56 0.30 0.00 0.04 0.00 0.00 61.00 62.07 1xlq s PRO 102 Cb -0.13 -1.66 1.62 0.00 0.04 0.00 0.00 34.50 34.37 1xlq s PRO 102 CO 0.04 -3.17 2.08 -0.40 0.04 0.00 0.00 177.00 175.60 1xlq n ASP 103 N -4.49 0.00 -3.51 6.66 5.68 -1.26 -4.62 116.55 115.01 1xlq n ASP 103 Ca 0.04 -0.45 -0.16 0.00 -0.50 0.00 0.00 54.79 53.72 1xlq n ASP 103 Cb 0.57 -0.18 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 1xlq n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xlq s ARG 104 N -2.35 1.09 0.00 0.11 1.70 -1.26 -5.03 118.95 113.20 1xlq s ARG 104 Ca 0.35 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 1xlq s ARG 104 Cb 0.20 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 35.09 1xlq s ARG 104 CO 0.41 -0.38 0.00 1.04 -1.08 0.00 0.00 175.30 175.30 1xlq n GLN 105 N 0.59 2.21 0.00 3.89 1.13 -1.26 -4.29 117.38 119.64 1xlq n GLN 105 Ca -0.19 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 54.98 1xlq n GLN 105 Cb 0.59 -0.94 0.09 0.00 0.11 0.00 0.00 30.24 30.09 1xlq n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53