#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u s GLU 2 N 0.00 0.41 -0.06 1.61 2.02 -1.26 -5.02 118.70 116.41 1s6u s GLU 2 Ca 0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 1s6u s GLU 2 Cb 0.00 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1s6u s GLU 2 CO 0.00 -2.56 -0.00 0.08 0.02 0.00 0.00 175.26 172.80 1s6u s VAL 3 N -3.94 4.25 -0.23 2.63 1.01 0.18 -4.80 120.40 119.49 1s6u s VAL 3 Ca 0.76 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1s6u s VAL 3 Cb -0.03 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1s6u s VAL 3 CO 0.54 0.53 0.41 -0.69 0.00 0.00 0.00 175.10 175.89 1s6u s VAL 4 N -0.94 5.17 -0.09 2.92 1.01 0.29 -0.51 120.40 128.24 1s6u s VAL 4 Ca 0.15 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 1s6u s VAL 4 Cb -0.11 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1s6u s VAL 4 CO 0.05 0.19 0.15 -0.76 0.00 0.00 0.00 175.10 174.73 1s6u s LEU 5 N 1.74 4.37 -0.14 3.92 1.43 0.19 -0.92 118.68 129.27 1s6u s LEU 5 Ca 0.18 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1s6u s LEU 5 Cb -0.15 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1s6u s LEU 5 CO 0.09 0.37 -0.21 -0.75 0.23 0.00 0.00 176.35 176.08 1s6u s LYS 6 N -1.30 3.07 -0.16 1.70 2.47 -1.26 -1.21 119.74 123.05 1s6u s LYS 6 Ca 0.19 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 1s6u s LYS 6 Cb -0.12 -2.47 0.03 0.00 -1.46 0.00 0.00 37.83 33.80 1s6u s LYS 6 CO 0.08 0.01 -0.14 0.00 0.16 0.00 0.00 175.35 175.46 1s6u s MET 7 N 0.78 2.27 -0.18 4.03 0.23 0.20 -1.13 119.30 125.50 1s6u s MET 7 Ca -0.07 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 53.68 1s6u s MET 7 Cb -0.16 -2.17 -0.01 0.00 -1.53 0.00 0.00 34.83 30.97 1s6u s MET 7 CO -0.01 -0.27 1.15 0.15 -2.03 0.00 0.00 175.02 174.02 1s6u s LYS 8 N 1.47 4.26 0.12 3.16 3.01 -1.17 -0.16 119.74 130.43 1s6u s LYS 8 Ca 0.04 1.52 0.04 0.00 -1.01 0.00 0.00 55.97 56.56 1s6u s LYS 8 Cb -0.13 -3.68 -0.04 0.00 -1.01 0.00 0.00 37.83 32.96 1s6u s LYS 8 CO -0.10 -0.63 0.11 0.14 0.51 0.00 0.00 175.35 175.37 1s6u s VAL 9 N 3.18 4.49 0.12 3.17 -7.23 -0.49 -0.36 120.40 123.29 1s6u s VAL 9 Ca 0.50 -0.94 0.09 0.00 -1.81 0.00 0.00 61.98 59.82 1s6u s VAL 9 Cb -0.19 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1s6u s VAL 9 CO 0.12 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.13 1s6u s GLU 10 N -2.76 1.81 0.00 4.82 0.41 -1.18 -4.34 118.70 117.46 1s6u s GLU 10 Ca 0.30 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1s6u s GLU 10 Cb -0.11 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 1s6u s GLU 10 CO 0.23 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.88 1s6u n GLY 11 N 0.71 2.34 3.57 -1.39 0.00 -1.26 -4.73 105.19 104.43 1s6u n GLY 11 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1s6u n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6u s MET 12 N 0.00 2.42 0.00 1.61 -1.94 -1.26 -4.66 119.30 115.47 1s6u s MET 12 Ca 0.00 -0.64 0.06 0.00 -1.71 0.00 0.00 55.69 53.40 1s6u s MET 12 Cb 0.00 -5.12 0.13 0.00 2.01 0.00 0.00 34.83 31.85 1s6u s MET 12 CO 0.00 -3.78 1.00 2.41 -0.01 0.00 0.00 175.02 174.64 1s6u n THR 13 N 7.94 0.70 -4.65 2.05 -1.04 -1.26 -4.48 114.28 113.54 1s6u n THR 13 Ca 0.43 -0.85 -0.22 0.00 -2.04 0.00 0.00 64.05 61.36 1s6u n THR 13 Cb 0.47 0.69 -0.15 0.00 -1.82 0.00 0.00 70.33 69.51 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u h HIS 15 N 5.82 0.17 -0.56 0.00 2.76 -2.00 0.22 115.15 121.57 1s6u h HIS 15 Ca -0.34 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 57.93 1s6u h HIS 15 Cb 1.16 -0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.96 1s6u h HIS 15 CO 0.40 0.07 -0.37 0.77 -1.30 0.00 0.00 177.93 177.49 1s6u h SER 16 N 0.15 -1.28 0.36 3.26 0.02 -1.98 -0.13 113.55 113.95 1s6u h SER 16 Ca 0.30 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.47 1s6u h SER 16 Cb 0.99 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1s6u h SER 16 CO -0.04 -0.32 -0.17 0.00 -1.14 0.00 0.00 176.83 175.15 1s6u h THR 18 N -0.72 0.29 -0.46 0.00 1.03 -1.58 -0.20 112.91 111.28 1s6u h THR 18 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.39 1s6u h THR 18 Cb 0.50 0.29 -0.04 0.00 -1.07 0.00 0.00 68.15 67.83 1s6u h THR 18 CO 0.08 0.00 0.24 -1.28 -0.01 0.00 0.00 175.52 174.55 1s6u h SER 19 N -0.40 0.36 -0.08 0.00 0.87 -0.86 0.22 113.55 113.66 1s6u h SER 19 Ca 0.09 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1s6u h SER 19 Cb 0.54 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1s6u h SER 19 CO -0.34 0.25 -0.08 0.74 -0.53 0.00 0.00 176.83 176.87 1s6u h THR 20 N 0.48 0.76 -0.51 2.23 2.02 -0.35 0.19 112.91 117.74 1s6u h THR 20 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1s6u h THR 20 Cb 0.09 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1s6u h THR 20 CO -0.13 0.00 0.23 0.40 0.37 0.00 0.00 175.52 176.39 1s6u h ILE 21 N -0.10 1.20 -0.37 3.11 5.03 -0.45 -0.40 117.51 125.52 1s6u h ILE 21 Ca 0.06 -0.60 0.05 0.00 -0.12 0.00 0.00 64.86 64.25 1s6u h ILE 21 Cb 0.19 0.66 -0.05 0.00 -3.03 0.00 0.00 36.82 34.59 1s6u h ILE 21 CO -0.15 0.23 0.10 -0.33 -0.68 0.00 0.00 178.15 177.32 1s6u h GLU 22 N 0.68 0.23 -0.08 2.37 5.08 -0.23 0.24 114.58 122.86 1s6u h GLU 22 Ca 0.17 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1s6u h GLU 22 Cb 0.15 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1s6u h GLU 22 CO -0.02 0.15 -0.20 0.78 -1.00 0.00 0.00 179.01 178.72 1s6u h GLY 23 N 0.23 -0.22 0.73 -3.84 0.00 -0.28 0.23 103.07 99.93 1s6u h GLY 23 Ca 0.18 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1s6u h GLY 23 CO -0.21 -0.18 -0.35 1.70 0.00 0.00 0.00 176.54 177.50 1s6u h LYS 24 N -0.28 -0.94 -0.00 4.80 1.63 -0.46 -3.27 116.57 118.05 1s6u h LYS 24 Ca 0.08 0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1s6u h LYS 24 Cb 0.40 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1s6u h LYS 24 CO -0.24 -0.62 -0.34 0.82 -3.45 0.00 0.00 179.45 175.62 1s6u h ILE 25 N -1.26 1.24 -1.05 2.00 1.08 -0.60 -0.55 117.51 118.37 1s6u h ILE 25 Ca -0.10 -1.16 0.31 0.00 -0.39 0.00 0.00 64.86 63.52 1s6u h ILE 25 Cb 0.75 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 1s6u h ILE 25 CO 0.16 0.33 0.80 1.23 -0.69 0.00 0.00 178.15 179.98 1s6u h GLY 26 N 1.01 0.00 -1.52 5.37 0.00 -0.58 -0.04 103.07 107.31 1s6u h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6u h GLY 26 CO 0.04 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.75 1s6u n LYS 27 N -4.10 2.02 -1.29 4.80 4.81 -0.22 -4.95 118.16 119.24 1s6u n LYS 27 Ca 0.22 -1.57 -0.31 0.00 -0.87 0.00 0.00 58.31 55.78 1s6u n LYS 27 Cb 1.15 -1.38 0.09 0.00 0.02 0.00 0.00 35.03 34.91 1s6u n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6u s LEU 28 N -1.21 3.06 -0.97 3.14 1.43 -0.03 -4.99 118.68 119.11 1s6u s LEU 28 Ca 0.32 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1s6u s LEU 28 Cb 0.17 -4.53 0.24 0.00 0.03 0.00 0.00 46.19 42.11 1s6u s LEU 28 CO 0.24 -2.04 0.92 0.00 0.23 0.00 0.00 176.35 175.70 1s6u s GLN 29 N -4.81 3.75 0.00 1.70 -2.07 -1.26 -4.25 119.66 112.72 1s6u s GLN 29 Ca 0.62 -3.03 0.00 0.00 -1.82 0.00 0.00 55.36 51.12 1s6u s GLN 29 Cb -0.18 -4.33 0.00 0.00 -1.09 0.00 0.00 33.01 27.41 1s6u s GLN 29 CO 0.55 -1.25 0.00 0.41 -1.32 0.00 0.00 175.29 173.67 1s6u n GLY 30 N 2.92 -0.61 3.11 2.60 0.00 -1.26 -4.43 105.19 107.52 1s6u n GLY 30 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1s6u n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6u s VAL 31 N 0.00 1.59 -0.03 1.61 1.01 -1.26 -1.08 120.40 122.24 1s6u s VAL 31 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1s6u s VAL 31 Cb 0.00 -1.42 -0.27 0.00 0.00 0.00 0.00 36.38 34.69 1s6u s VAL 31 CO 0.00 0.46 0.71 0.06 0.00 0.00 0.00 175.10 176.33 1s6u h GLN 32 N 7.01 0.25 -3.44 2.72 3.07 -1.87 -3.49 115.11 119.36 1s6u h GLN 32 Ca -0.27 -0.43 -0.02 0.00 0.09 0.00 0.00 58.65 58.02 1s6u h GLN 32 Cb 1.20 0.16 -0.09 0.00 0.08 0.00 0.00 27.48 28.83 1s6u h GLN 32 CO 0.48 1.10 -0.02 1.03 0.09 0.00 0.00 178.83 181.51 1s6u s ARG 33 N -2.60 1.53 -0.20 0.06 0.52 -1.22 -5.05 118.95 111.98 1s6u s ARG 33 Ca -0.12 -1.09 -0.23 0.00 -0.52 0.00 0.00 55.73 53.77 1s6u s ARG 33 Cb 0.07 0.51 0.06 0.00 0.52 0.00 0.00 34.95 36.10 1s6u s ARG 33 CO 0.84 -0.65 0.62 -1.50 0.02 0.00 0.00 175.30 174.63 1s6u s ILE 34 N -3.96 0.00 -0.40 1.52 2.07 -1.26 -0.26 121.20 118.92 1s6u s ILE 34 Ca 0.16 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.41 1s6u s ILE 34 Cb -0.02 -0.88 0.16 0.00 0.13 0.00 0.00 42.46 41.86 1s6u s ILE 34 CO 0.05 -0.01 0.32 -0.54 -1.91 0.00 0.00 174.94 172.85 1s6u s LYS 35 N 0.08 0.82 -0.31 3.50 -0.14 0.36 -4.95 119.74 119.10 1s6u s LYS 35 Ca -0.02 -1.88 -0.22 0.00 -1.36 0.00 0.00 55.97 52.49 1s6u s LYS 35 Cb -0.04 -1.34 -0.00 0.00 -1.68 0.00 0.00 37.83 34.77 1s6u s LYS 35 CO 0.02 -1.34 0.73 0.08 -0.76 0.00 0.00 175.35 174.08 1s6u s VAL 36 N 0.34 4.84 0.28 3.17 1.01 -1.26 -0.27 120.40 128.51 1s6u s VAL 36 Ca 0.29 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1s6u s VAL 36 Cb -0.03 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1s6u s VAL 36 CO -0.14 -0.24 0.38 -1.20 0.00 0.00 0.00 175.10 173.90 1s6u n SER 37 N 6.11 0.81 0.00 3.32 7.64 0.59 -4.92 113.62 127.17 1s6u n SER 37 Ca 0.02 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1s6u n SER 37 Cb 0.48 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1s6u n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6u n LEU 38 N 0.00 0.00 -0.16 -3.43 -0.00 -1.26 -4.37 117.00 107.79 1s6u n LEU 38 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.00 1s6u n LEU 38 Cb 0.26 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.80 1s6u n LEU 38 CO 0.17 -0.39 0.60 0.44 -0.00 0.00 0.00 177.39 178.21 1s6u h ASP 39 N 0.00 -1.33 -0.42 1.45 5.19 -1.91 0.97 116.42 120.37 1s6u h ASP 39 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1s6u h ASP 39 Cb 0.00 0.61 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1s6u h ASP 39 CO 0.00 -0.34 0.00 -3.20 -3.12 0.00 0.00 179.24 172.58 1s6u n ASN 40 N -5.42 4.24 -3.97 6.45 2.85 -1.26 -4.95 115.26 113.20 1s6u n ASN 40 Ca 0.01 -2.61 -0.37 0.00 -0.11 0.00 0.00 54.58 51.51 1s6u n ASN 40 Cb 0.35 -0.61 0.01 0.00 1.24 0.00 0.00 39.78 40.77 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6u n GLN 41 N 0.49 -0.47 -3.72 1.20 6.02 0.33 -4.92 117.38 116.31 1s6u n GLN 41 Ca 0.19 0.05 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1s6u n GLN 41 Cb 0.89 -1.84 -0.07 0.00 1.02 0.00 0.00 30.24 30.24 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6u s GLU 42 N -6.70 0.84 -0.03 -1.09 2.12 -1.26 -1.40 118.70 111.18 1s6u s GLU 42 Ca 0.35 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.26 1s6u s GLU 42 Cb -0.20 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.59 1s6u s GLU 42 CO 0.80 -0.28 -0.02 0.00 -0.54 0.00 0.00 175.26 175.23 1s6u s ALA 43 N -2.45 0.43 -0.09 6.30 0.00 0.77 -0.30 121.76 126.42 1s6u s ALA 43 Ca -0.06 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 1s6u s ALA 43 Cb -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1s6u s ALA 43 CO -0.03 -0.04 0.43 0.99 0.00 0.00 0.00 175.76 177.11 1s6u s THR 44 N 0.95 5.16 -0.10 0.00 2.01 0.63 -0.63 115.64 123.66 1s6u s THR 44 Ca -0.11 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1s6u s THR 44 Cb -0.14 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1s6u s THR 44 CO -0.01 0.41 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 1s6u s ILE 45 N 0.13 1.38 -0.28 1.82 -1.09 -0.35 -0.49 121.20 122.33 1s6u s ILE 45 Ca 0.24 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 1s6u s ILE 45 Cb -0.15 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.41 1s6u s ILE 45 CO 0.10 0.42 0.15 -0.69 -1.23 0.00 0.00 174.94 173.69 1s6u s VAL 46 N 1.01 4.93 0.08 2.92 1.01 0.64 -0.64 120.40 130.36 1s6u s VAL 46 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1s6u s VAL 46 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1s6u s VAL 46 CO -0.01 0.25 0.05 -0.72 0.00 0.00 0.00 175.10 174.66 1s6u s TYR 47 N 1.70 0.48 -0.33 5.22 1.13 0.33 -2.67 117.35 123.21 1s6u s TYR 47 Ca 0.07 -0.97 -0.13 0.00 -1.41 0.00 0.00 57.07 54.62 1s6u s TYR 47 Cb -0.16 -0.31 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1s6u s TYR 47 CO 0.08 -0.45 0.28 -1.14 -2.51 0.00 0.00 175.55 171.81 1s6u s GLN 48 N -3.93 3.60 -0.98 -3.49 0.74 -0.24 -0.65 119.66 114.71 1s6u s GLN 48 Ca 0.10 -0.50 -0.21 0.00 0.05 0.00 0.00 55.36 54.80 1s6u s GLN 48 Cb 0.07 -3.78 -0.11 0.00 1.10 0.00 0.00 33.01 30.29 1s6u s GLN 48 CO -0.08 -0.43 1.95 -0.35 -0.55 0.00 0.00 175.29 175.83 1s6u n PRO 49 N 5.20 1.78 0.00 1.67 -0.04 -1.26 -2.40 135.00 139.95 1s6u n PRO 49 Ca -0.11 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1s6u n PRO 49 Cb 0.50 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 1s6u n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6u n HIS 50 N 9.11 -0.14 0.06 0.54 8.25 -1.26 -4.99 115.22 126.78 1s6u n HIS 50 Ca 0.49 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.73 1s6u n HIS 50 Cb 0.42 0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6u h LEU 51 N 0.00 0.54 -7.91 2.41 4.07 -1.81 -3.48 115.31 109.13 1s6u h LEU 51 Ca 0.00 -0.92 -0.09 0.00 0.08 0.00 0.00 57.88 56.95 1s6u h LEU 51 Cb 0.00 -0.18 -0.14 0.00 1.08 0.00 0.00 40.66 41.42 1s6u h LEU 51 CO 0.00 1.57 -0.45 -0.51 -1.08 0.00 0.00 178.44 177.97 1s6u s ILE 52 N -2.49 0.16 0.39 1.22 1.10 -1.24 -4.89 121.20 115.46 1s6u s ILE 52 Ca -0.15 -1.32 0.08 0.00 -0.51 0.00 0.00 60.65 58.75 1s6u s ILE 52 Cb 0.03 -1.36 -0.07 0.00 0.15 0.00 0.00 42.46 41.20 1s6u s ILE 52 CO 0.84 -0.73 -0.01 -0.94 -2.11 0.00 0.00 174.94 172.00 1s6u s SER 53 N -2.85 3.88 0.24 4.50 1.04 -1.26 -4.53 113.70 114.73 1s6u s SER 53 Ca 0.05 -1.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.06 1s6u s SER 53 Cb 0.05 -0.40 0.32 0.00 0.10 0.00 0.00 66.02 66.10 1s6u s SER 53 CO -0.11 -0.39 1.59 0.58 0.98 0.00 0.00 173.24 175.90 1s6u h VAL 54 N 1.81 0.19 -0.44 5.02 2.07 -2.00 -2.34 116.25 120.57 1s6u h VAL 54 Ca -0.43 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1s6u h VAL 54 Cb 1.24 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1s6u h VAL 54 CO 0.78 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 178.26 1s6u h GLU 55 N -0.01 0.79 -0.45 1.57 4.57 -1.98 -0.22 114.58 118.85 1s6u h GLU 55 Ca 0.37 -0.26 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 1s6u h GLU 55 Cb 0.58 -0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 1s6u h GLU 55 CO -0.82 0.87 -0.25 0.93 -1.18 0.00 0.00 179.01 178.56 1s6u h GLU 56 N 0.62 -0.15 0.48 1.92 3.07 -1.84 0.51 114.58 119.19 1s6u h GLU 56 Ca 0.12 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1s6u h GLU 56 Cb 0.53 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1s6u h GLU 56 CO 0.03 -0.10 -0.43 0.52 -1.40 0.00 0.00 179.01 177.63 1s6u h MET 57 N -0.16 -0.86 0.60 2.33 2.86 -0.97 0.29 114.93 119.02 1s6u h MET 57 Ca 0.21 0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1s6u h MET 57 Cb 0.49 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1s6u h MET 57 CO -0.55 -0.58 -0.42 -0.22 1.06 0.00 0.00 176.91 176.21 1s6u h LYS 58 N -0.90 -0.94 -0.63 1.72 3.11 -0.70 0.75 116.57 118.98 1s6u h LYS 58 Ca -0.06 0.06 0.13 0.00 -2.81 0.00 0.00 60.65 57.97 1s6u h LYS 58 Cb 0.76 0.21 -0.12 0.00 -1.00 0.00 0.00 32.23 32.09 1s6u h LYS 58 CO -0.02 -0.63 -0.14 -0.22 -2.81 0.00 0.00 179.45 175.63 1s6u h LYS 59 N -0.98 0.01 -0.49 1.90 3.11 -0.01 0.70 116.57 120.80 1s6u h LYS 59 Ca -0.07 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 1s6u h LYS 59 Cb 0.81 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 1s6u h LYS 59 CO 0.04 0.01 0.24 1.96 -2.81 0.00 0.00 179.45 178.89 1s6u h GLN 60 N 0.01 0.71 0.31 1.90 1.08 -0.70 -0.12 115.11 118.30 1s6u h GLN 60 Ca 0.31 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1s6u h GLN 60 Cb 0.47 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s6u h GLN 60 CO -0.64 0.59 -0.15 0.82 -0.95 0.00 0.00 178.83 178.50 1s6u h ILE 61 N 0.66 0.00 -0.98 2.54 2.04 0.14 -3.19 117.51 118.71 1s6u h ILE 61 Ca 0.17 -0.31 0.33 0.00 1.00 0.00 0.00 64.86 66.05 1s6u h ILE 61 Cb 0.11 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.03 1s6u h ILE 61 CO -0.02 0.00 0.45 -0.08 0.00 0.00 0.00 178.15 178.50 1s6u h GLU 62 N -0.73 0.18 -0.65 2.37 4.81 0.20 0.83 114.58 121.59 1s6u h GLU 62 Ca -0.04 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.35 1s6u h GLU 62 Cb 0.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1s6u h GLU 62 CO 0.07 0.12 0.46 0.00 -0.73 0.00 0.00 179.01 178.93 1s6u h ALA 63 N 1.89 2.44 -0.87 2.92 0.00 -1.00 0.25 119.26 124.90 1s6u h ALA 63 Ca 0.72 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.68 1s6u h ALA 63 Cb 1.68 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1s6u h ALA 63 CO -0.69 -0.63 0.54 0.52 0.00 0.00 0.00 179.25 178.99 1s6u h MET 64 N 0.12 0.94 0.00 0.00 2.86 -0.85 -3.46 114.93 114.54 1s6u h MET 64 Ca 0.32 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1s6u h MET 64 Cb 1.08 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1s6u h MET 64 CO -0.04 0.63 0.00 0.41 1.06 0.00 0.00 176.91 178.97 1s6u n GLY 65 N -1.33 0.95 3.57 8.32 0.00 0.89 -5.12 105.19 112.47 1s6u n GLY 65 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1s6u n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6u s PHE 66 N 0.00 2.93 0.33 1.61 0.08 -1.24 -4.99 117.98 116.70 1s6u s PHE 66 Ca 0.00 0.44 -0.29 0.00 0.12 0.00 0.00 56.93 57.20 1s6u s PHE 66 Cb 0.00 -3.96 -0.10 0.00 -0.57 0.00 0.00 43.02 38.39 1s6u s PHE 66 CO 0.00 -1.08 1.38 -1.25 -0.10 0.00 0.00 175.22 174.17 1s6u s PRO 67 N 3.76 4.27 -0.05 0.24 0.04 -1.26 -3.78 135.00 138.22 1s6u s PRO 67 Ca 0.38 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 1s6u s PRO 67 Cb -0.10 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1s6u s PRO 67 CO 0.26 -0.32 0.11 0.00 0.04 0.00 0.00 177.00 177.09 1s6u s ALA 68 N -0.95 -0.22 -1.08 8.56 0.00 -1.26 -3.11 121.76 123.70 1s6u s ALA 68 Ca 0.52 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 1s6u s ALA 68 Cb -0.42 -0.30 0.30 0.00 0.00 0.00 0.00 23.12 22.70 1s6u s ALA 68 CO 0.54 -0.10 1.39 1.19 0.00 0.00 0.00 175.76 178.78 1s6u n PHE 69 N 3.67 2.89 -1.55 0.00 3.72 0.52 -4.86 117.46 121.85 1s6u n PHE 69 Ca -0.20 -2.89 -0.25 0.00 -0.05 0.00 0.00 57.45 54.05 1s6u n PHE 69 Cb 0.55 -1.33 -0.07 0.00 -0.94 0.00 0.00 39.48 37.70 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1s6u n VAL 70 N 1.58 -0.04 -2.99 -4.37 3.14 -1.26 -3.04 118.33 111.35 1s6u n VAL 70 Ca 0.26 -0.60 -0.04 0.00 -2.96 0.00 0.00 64.34 61.00 1s6u n VAL 70 Cb 0.34 -2.14 -0.01 0.00 -1.06 0.00 0.00 33.84 30.98 1s6u n VAL 70 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1s6u s LYS 71 N 8.55 0.95 0.16 1.45 2.20 -0.28 -4.97 119.74 127.79 1s6u s LYS 71 Ca 1.00 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 55.60 1s6u s LYS 71 Cb -0.26 -0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.03 1s6u s LYS 71 CO 0.21 -1.27 0.55 0.21 -0.36 0.00 0.00 175.35 174.69 1s6u s LYS 72 N 1.23 1.24 -0.41 4.03 2.47 -1.19 -4.68 119.74 122.44 1s6u s LYS 72 Ca 0.24 -0.56 0.06 0.00 -1.56 0.00 0.00 55.97 54.16 1s6u s LYS 72 Cb -0.02 0.56 0.22 0.00 -1.46 0.00 0.00 37.83 37.12 1s6u s LYS 72 CO -0.06 -0.53 0.46 -0.89 0.16 0.00 0.00 175.35 174.49 1s6u n ILE 73 N -0.34 -0.76 -2.52 5.43 -0.00 -1.25 -4.05 119.36 115.88 1s6u n ILE 73 Ca -0.16 -3.85 -0.24 0.00 -0.00 0.00 0.00 62.75 58.50 1s6u n ILE 73 Cb 0.64 -1.86 0.10 0.00 -0.00 0.00 0.00 39.64 38.53 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1s6u s GLU 74 N -0.78 1.77 0.08 0.38 2.02 -0.10 -4.90 118.70 117.16 1s6u s GLU 74 Ca 0.34 -0.96 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 1s6u s GLU 74 Cb 0.12 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 32.06 1s6u s GLU 74 CO -0.14 -1.39 0.29 0.20 0.02 0.00 0.00 175.26 174.23 1s6u s GLY 75 N -4.69 -0.08 0.00 -1.39 0.00 -1.26 -0.55 107.32 99.35 1s6u s GLY 75 Ca 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1s6u s GLY 75 CO 0.44 -0.44 0.00 -2.13 0.00 0.00 0.00 173.10 170.98