#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u n GLU 2 N 0.00 -1.89 -3.33 1.61 2.13 -1.25 -4.68 120.64 113.24 1s6u n GLU 2 Ca 0.00 1.35 -0.38 0.00 0.66 0.00 0.00 57.16 58.79 1s6u n GLU 2 Cb 0.00 -2.11 -0.06 0.00 0.27 0.00 0.00 31.44 29.54 1s6u n GLU 2 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s6u s VAL 3 N -1.68 5.19 -0.14 6.31 0.11 0.37 -3.93 120.40 126.64 1s6u s VAL 3 Ca 0.34 0.94 -0.27 0.00 -2.93 0.00 0.00 61.98 60.06 1s6u s VAL 3 Cb -0.04 -3.81 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1s6u s VAL 3 CO 0.88 0.33 0.88 0.54 -3.33 0.00 0.00 175.10 174.41 1s6u s VAL 4 N 0.59 4.86 -0.14 2.04 0.11 -1.26 -1.31 120.40 125.28 1s6u s VAL 4 Ca 0.26 1.76 0.01 0.00 -2.93 0.00 0.00 61.98 61.07 1s6u s VAL 4 Cb -0.15 -4.19 -0.01 0.00 -1.53 0.00 0.00 36.38 30.50 1s6u s VAL 4 CO 0.10 0.04 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.99 1s6u s LEU 5 N 2.00 2.53 -0.16 2.54 2.01 0.13 -2.45 118.68 125.27 1s6u s LEU 5 Ca 0.42 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 54.12 1s6u s LEU 5 Cb -0.17 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.45 1s6u s LEU 5 CO 0.15 0.13 -0.10 -0.75 1.01 0.00 0.00 176.35 176.79 1s6u s LYS 6 N 0.57 3.39 -0.17 1.70 2.36 -1.22 -0.62 119.74 125.75 1s6u s LYS 6 Ca -0.09 -0.66 -0.01 0.00 -2.55 0.00 0.00 55.97 52.66 1s6u s LYS 6 Cb -0.16 -2.78 -0.01 0.00 -1.05 0.00 0.00 37.83 33.83 1s6u s LYS 6 CO 0.04 0.06 -0.10 -1.64 1.55 0.00 0.00 175.35 175.26 1s6u s MET 7 N 0.77 3.37 -0.03 4.03 -1.94 0.28 -2.06 119.30 123.71 1s6u s MET 7 Ca -0.04 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 1s6u s MET 7 Cb -0.15 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 1s6u s MET 7 CO 0.01 0.05 1.22 0.21 -0.01 0.00 0.00 175.02 176.50 1s6u s LYS 8 N 0.80 4.36 0.19 2.03 2.36 -0.87 -0.24 119.74 128.37 1s6u s LYS 8 Ca -0.04 1.72 0.09 0.00 -2.55 0.00 0.00 55.97 55.20 1s6u s LYS 8 Cb -0.15 -3.52 -0.04 0.00 -1.05 0.00 0.00 37.83 33.07 1s6u s LYS 8 CO 0.01 -0.42 -0.12 0.14 1.55 0.00 0.00 175.35 176.50 1s6u s VAL 9 N 2.01 3.02 0.18 4.02 -7.23 -0.70 -0.24 120.40 121.47 1s6u s VAL 9 Ca 0.57 -1.76 0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1s6u s VAL 9 Cb -0.26 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1s6u s VAL 9 CO 0.24 -0.13 -0.24 -1.61 -0.31 0.00 0.00 175.10 173.05 1s6u s GLU 10 N -2.85 1.49 -0.82 4.82 0.41 -1.20 -4.44 118.70 116.11 1s6u s GLU 10 Ca 0.24 -1.49 -0.01 0.00 -0.41 0.00 0.00 54.97 53.30 1s6u s GLU 10 Cb -0.08 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.42 1s6u s GLU 10 CO 0.14 0.41 0.69 0.41 -0.49 0.00 0.00 175.26 176.42 1s6u n GLY 11 N 0.38 -0.08 2.70 -1.39 0.00 -1.26 -4.67 105.19 100.87 1s6u n GLY 11 Ca -0.14 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.12 0.15 0.00 1.61 -1.94 -1.26 -4.99 119.30 107.76 1s6u s MET 12 Ca 0.09 0.09 0.06 0.00 -1.71 0.00 0.00 55.69 54.21 1s6u s MET 12 Cb -0.04 -1.40 0.09 0.00 2.01 0.00 0.00 34.83 35.50 1s6u s MET 12 CO 0.49 -0.67 0.92 0.25 -0.01 0.00 0.00 175.02 175.99 1s6u n THR 13 N 5.30 0.00 0.37 2.05 -2.24 -1.26 -4.72 114.28 113.78 1s6u n THR 13 Ca -0.06 -0.22 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1s6u n THR 13 Cb 0.49 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6u n HIS 15 N -0.34 0.00 -0.05 0.00 -0.00 -1.26 -4.67 115.22 108.90 1s6u n HIS 15 Ca 0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 1s6u n HIS 15 Cb 0.17 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.00 1s6u n HIS 15 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1s6u h SER 16 N 0.00 -1.16 0.42 0.26 0.02 -1.98 0.39 113.55 111.50 1s6u h SER 16 Ca 0.00 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1s6u h SER 16 Cb 0.00 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1s6u h SER 16 CO 0.00 -0.37 -0.20 0.00 -1.14 0.00 0.00 176.83 175.12 1s6u h THR 18 N -0.66 0.36 -0.60 0.00 1.35 -1.91 0.81 112.91 112.27 1s6u h THR 18 Ca -0.06 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.81 1s6u h THR 18 Cb 0.48 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.23 1s6u h THR 18 CO 0.09 0.00 0.39 -1.28 -0.25 0.00 0.00 175.52 174.47 1s6u h SER 19 N -0.42 0.66 -0.35 5.36 0.87 -0.86 0.15 113.55 118.96 1s6u h SER 19 Ca 0.07 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1s6u h SER 19 Cb 0.52 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1s6u h SER 19 CO -0.26 0.47 0.23 0.74 -0.53 0.00 0.00 176.83 177.48 1s6u h THR 20 N 0.78 1.08 0.02 2.23 2.02 -0.12 0.16 112.91 119.08 1s6u h THR 20 Ca 0.22 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1s6u h THR 20 Cb -0.06 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1s6u h THR 20 CO -0.06 0.08 -0.05 0.40 0.37 0.00 0.00 175.52 176.26 1s6u h ILE 21 N 0.46 0.87 -0.45 3.11 2.04 -0.40 0.85 117.51 123.99 1s6u h ILE 21 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1s6u h ILE 21 Cb -0.04 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1s6u h ILE 21 CO -0.04 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.67 1s6u h GLU 22 N -0.10 0.00 0.07 2.37 5.08 -0.25 0.26 114.58 122.01 1s6u h GLU 22 Ca 0.02 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1s6u h GLU 22 Cb 0.12 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1s6u h GLU 22 CO -0.04 0.00 -0.22 0.78 -1.00 0.00 0.00 179.01 178.53 1s6u h GLY 23 N 0.00 -0.37 0.78 -3.84 0.00 -0.41 0.23 103.07 99.45 1s6u h GLY 23 Ca 0.22 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1s6u h GLY 23 CO -0.46 -0.20 -0.24 1.70 0.00 0.00 0.00 176.54 177.34 1s6u h LYS 24 N -0.39 -0.65 -0.21 4.80 1.63 -0.01 -3.07 116.57 118.67 1s6u h LYS 24 Ca 0.04 0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 1s6u h LYS 24 Cb 0.43 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1s6u h LYS 24 CO -0.15 -0.35 -0.37 0.82 -3.45 0.00 0.00 179.45 175.95 1s6u h ILE 25 N -0.90 1.30 -0.60 2.00 1.08 -0.55 -1.43 117.51 118.40 1s6u h ILE 25 Ca -0.07 -1.49 0.17 0.00 -0.39 0.00 0.00 64.86 63.08 1s6u h ILE 25 Cb 0.60 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1s6u h ILE 25 CO 0.11 0.46 0.51 1.23 -0.69 0.00 0.00 178.15 179.78 1s6u h GLY 26 N 1.09 0.00 -0.83 5.37 0.00 -0.55 -0.10 103.07 108.05 1s6u h GLY 26 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1s6u h GLY 26 CO 0.07 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.78 1s6u n LYS 27 N -4.00 1.76 -2.36 4.80 4.81 -0.54 -4.89 118.16 117.74 1s6u n LYS 27 Ca 0.12 -1.14 -0.39 0.00 -0.87 0.00 0.00 58.31 56.03 1s6u n LYS 27 Cb 0.74 -1.42 -0.03 0.00 0.02 0.00 0.00 35.03 34.34 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 -1.65 4.31 0.10 3.14 1.43 -0.05 -5.02 118.68 120.94 1s6u s LEU 28 Ca 0.34 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1s6u s LEU 28 Cb 0.18 -3.89 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1s6u s LEU 28 CO 0.28 -0.48 1.03 -1.58 0.23 0.00 0.00 176.35 175.82 1s6u s GLN 29 N -2.03 4.61 0.00 1.70 0.74 -1.26 -3.70 119.66 119.73 1s6u s GLN 29 Ca 0.53 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.49 1s6u s GLN 29 Cb -0.31 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.44 1s6u s GLN 29 CO 0.39 0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1s6u n GLY 30 N 2.44 0.61 3.84 2.59 0.00 -1.26 -4.60 105.19 108.80 1s6u n GLY 30 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 4.59 -0.16 1.61 1.01 -1.24 -0.58 120.40 123.62 1s6u s VAL 31 Ca 0.00 1.12 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 1s6u s VAL 31 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1s6u s VAL 31 CO 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 175.10 174.71 1s6u n GLN 32 N -0.36 0.36 -3.88 2.72 1.13 0.36 -4.82 117.38 112.88 1s6u n GLN 32 Ca 0.04 0.14 -0.08 0.00 -1.94 0.00 0.00 57.00 55.17 1s6u n GLN 32 Cb 0.53 -1.13 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6u s ARG 33 N -2.30 1.70 -0.24 -1.09 3.52 -0.39 -5.03 118.95 115.11 1s6u s ARG 33 Ca -0.23 -1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 54.13 1s6u s ARG 33 Cb 0.08 0.57 0.06 0.00 -1.56 0.00 0.00 34.95 34.11 1s6u s ARG 33 CO 0.30 -0.76 0.63 -1.50 -0.81 0.00 0.00 175.30 173.16 1s6u s ILE 34 N -3.94 -0.00 -0.34 4.11 2.07 -1.26 0.03 121.20 121.87 1s6u s ILE 34 Ca 0.14 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1s6u s ILE 34 Cb -0.04 -0.88 0.13 0.00 0.13 0.00 0.00 42.46 41.80 1s6u s ILE 34 CO 0.07 0.00 0.21 -0.54 -1.91 0.00 0.00 174.94 172.77 1s6u s LYS 35 N 0.62 0.47 -0.49 3.50 -0.14 0.38 -4.96 119.74 119.11 1s6u s LYS 35 Ca -0.02 -1.08 -0.17 0.00 -1.36 0.00 0.00 55.97 53.33 1s6u s LYS 35 Cb -0.05 -1.20 0.06 0.00 -1.68 0.00 0.00 37.83 34.96 1s6u s LYS 35 CO -0.03 -1.16 0.51 0.08 -0.76 0.00 0.00 175.35 173.98 1s6u s VAL 36 N 1.36 5.06 0.56 3.17 1.01 -1.26 -0.24 120.40 130.05 1s6u s VAL 36 Ca 0.16 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1s6u s VAL 36 Cb -0.21 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1s6u s VAL 36 CO -0.08 -0.68 0.89 -0.44 0.00 0.00 0.00 175.10 174.78 1s6u s SER 37 N 2.61 6.00 -0.03 3.32 0.01 0.11 -4.87 113.70 120.84 1s6u s SER 37 Ca 0.10 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.32 1s6u s SER 37 Cb -0.22 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1s6u s SER 37 CO 0.09 -0.83 -0.04 0.00 0.41 0.00 0.00 173.24 172.87 1s6u n LEU 38 N -2.51 0.74 -0.08 2.44 -0.00 -1.26 -3.60 117.00 112.73 1s6u n LEU 38 Ca 0.03 0.03 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 1s6u n LEU 38 Cb 0.56 -0.10 -0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1s6u n LEU 38 CO 0.54 0.16 0.56 0.44 -0.00 0.00 0.00 177.39 179.09 1s6u h ASP 39 N -0.09 -1.49 -0.53 1.45 5.19 -1.95 0.77 116.42 119.77 1s6u h ASP 39 Ca -0.08 0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1s6u h ASP 39 Cb 1.08 0.63 -0.06 0.00 0.18 0.00 0.00 39.33 41.15 1s6u h ASP 39 CO -0.04 -0.40 0.13 -3.20 -3.12 0.00 0.00 179.24 172.60 1s6u n ASN 40 N -5.42 4.39 -2.96 6.45 5.15 -1.26 -4.95 115.26 116.66 1s6u n ASN 40 Ca -0.03 -2.85 -0.11 0.00 -0.60 0.00 0.00 54.58 51.00 1s6u n ASN 40 Cb 0.36 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1s6u n GLN 41 N 0.16 -0.64 -4.01 1.20 7.27 0.26 -4.92 117.38 116.70 1s6u n GLN 41 Ca 0.28 0.32 -0.13 0.00 0.07 0.00 0.00 57.00 57.54 1s6u n GLN 41 Cb 1.09 -0.89 -0.13 0.00 2.41 0.00 0.00 30.24 32.71 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6u s GLU 42 N -3.06 0.24 -0.22 3.69 -6.30 -1.24 -1.72 118.70 110.10 1s6u s GLU 42 Ca 0.01 -0.22 0.01 0.00 -2.50 0.00 0.00 54.97 52.27 1s6u s GLU 42 Cb -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 34.13 34.02 1s6u s GLU 42 CO 0.37 0.04 -0.07 0.00 0.02 0.00 0.00 175.26 175.61 1s6u s ALA 43 N -0.38 1.99 -0.13 6.30 0.00 0.67 0.05 121.76 130.26 1s6u s ALA 43 Ca -0.02 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 1s6u s ALA 43 Cb -0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1s6u s ALA 43 CO -0.00 -1.05 0.77 0.99 0.00 0.00 0.00 175.76 176.47 1s6u s THR 44 N 1.39 4.95 -0.10 0.00 2.01 0.66 -0.56 115.64 124.00 1s6u s THR 44 Ca -0.04 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.51 1s6u s THR 44 Cb -0.18 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1s6u s THR 44 CO -0.07 0.12 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.18 1s6u s ILE 45 N 1.64 1.54 -0.25 1.82 -1.09 0.21 -0.47 121.20 124.60 1s6u s ILE 45 Ca 0.37 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1s6u s ILE 45 Cb -0.17 -1.39 0.04 0.00 -1.58 0.00 0.00 42.46 39.36 1s6u s ILE 45 CO 0.15 0.45 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.53 1s6u s VAL 46 N 0.75 2.57 0.33 2.92 1.01 0.10 -0.70 120.40 127.40 1s6u s VAL 46 Ca -0.11 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.65 1s6u s VAL 46 Cb -0.16 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1s6u s VAL 46 CO 0.02 0.13 0.09 -0.72 0.00 0.00 0.00 175.10 174.62 1s6u s TYR 47 N 1.24 1.83 -0.39 5.22 1.13 -0.43 -0.48 117.35 125.47 1s6u s TYR 47 Ca -0.03 -1.10 -0.14 0.00 -1.41 0.00 0.00 57.07 54.39 1s6u s TYR 47 Cb -0.18 -1.17 0.01 0.00 -1.10 0.00 0.00 41.96 39.53 1s6u s TYR 47 CO -0.05 -0.15 0.28 -1.14 -2.51 0.00 0.00 175.55 171.98 1s6u s GLN 48 N -3.87 3.10 -1.14 -3.49 2.00 0.25 -0.48 119.66 116.03 1s6u s GLN 48 Ca 0.33 -0.93 -0.19 0.00 -2.00 0.00 0.00 55.36 52.57 1s6u s GLN 48 Cb 0.07 -3.93 -0.05 0.00 0.80 0.00 0.00 33.01 29.90 1s6u s GLN 48 CO 0.15 -0.67 1.98 -0.35 -0.50 0.00 0.00 175.29 175.89 1s6u n PRO 49 N 5.14 2.22 0.00 1.67 -0.04 -1.26 -2.32 135.00 140.41 1s6u n PRO 49 Ca -0.11 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1s6u n PRO 49 Cb 0.48 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 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 8.61 -0.52 0.04 0.54 8.25 -1.26 -4.89 115.22 125.98 1s6u n HIS 50 Ca 0.49 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.76 1s6u n HIS 50 Cb 0.42 0.10 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 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 0.46 -8.88 2.41 4.07 -1.78 -3.48 115.31 108.12 1s6u h LEU 51 Ca 0.00 -0.92 -0.36 0.00 0.08 0.00 0.00 57.88 56.68 1s6u h LEU 51 Cb 0.00 -0.15 -0.14 0.00 1.08 0.00 0.00 40.66 41.45 1s6u h LEU 51 CO 0.00 1.35 -0.59 -0.51 -1.08 0.00 0.00 178.44 177.61 1s6u s ILE 52 N -2.56 0.35 0.11 1.22 1.10 -1.24 -4.89 121.20 115.29 1s6u s ILE 52 Ca -0.14 -2.00 0.03 0.00 -0.51 0.00 0.00 60.65 58.03 1s6u s ILE 52 Cb 0.01 -2.56 -0.04 0.00 0.15 0.00 0.00 42.46 40.02 1s6u s ILE 52 CO 0.83 0.00 -0.08 -0.94 -2.11 0.00 0.00 174.94 172.63 1s6u s SER 53 N -3.32 1.40 0.27 4.50 1.04 -1.26 -4.59 113.70 111.75 1s6u s SER 53 Ca 0.37 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 1s6u s SER 53 Cb 0.06 0.05 0.49 0.00 0.10 0.00 0.00 66.02 66.72 1s6u s SER 53 CO 0.15 -0.39 1.58 0.58 0.98 0.00 0.00 173.24 176.14 1s6u h VAL 54 N 3.00 0.10 -0.47 5.02 2.07 -1.99 -1.23 116.25 122.74 1s6u h VAL 54 Ca -0.36 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1s6u h VAL 54 Cb 1.18 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1s6u h VAL 54 CO 0.62 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 178.33 1s6u h GLU 55 N 0.01 0.70 -0.10 1.57 4.22 -1.98 0.56 114.58 119.56 1s6u h GLU 55 Ca 0.47 -0.12 0.04 0.00 0.08 0.00 0.00 59.36 59.83 1s6u h GLU 55 Cb 0.80 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1s6u h GLU 55 CO -0.91 0.62 -0.22 1.49 -2.18 0.00 0.00 179.01 177.81 1s6u h GLU 56 N 0.62 -0.29 0.14 1.92 4.22 -1.66 0.46 114.58 119.99 1s6u h GLU 56 Ca 0.16 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.63 1s6u h GLU 56 Cb 0.18 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1s6u h GLU 56 CO -0.01 -0.19 -0.52 0.52 -2.18 0.00 0.00 179.01 176.63 1s6u h MET 57 N -0.30 -0.72 0.41 1.92 2.86 -0.78 0.17 114.93 118.49 1s6u h MET 57 Ca 0.09 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1s6u h MET 57 Cb 0.43 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1s6u h MET 57 CO -0.27 -0.48 -0.27 -0.22 1.06 0.00 0.00 176.91 176.72 1s6u h LYS 58 N -0.75 -0.64 -0.66 1.72 3.11 -0.52 0.92 116.57 119.75 1s6u h LYS 58 Ca -0.01 0.04 0.13 0.00 -2.81 0.00 0.00 60.65 58.00 1s6u h LYS 58 Cb 0.75 0.15 -0.13 0.00 -1.00 0.00 0.00 32.23 32.00 1s6u h LYS 58 CO -0.27 -0.43 -0.23 -0.22 -2.81 0.00 0.00 179.45 175.49 1s6u h LYS 59 N -0.67 -0.06 -0.34 1.90 3.11 -0.01 0.74 116.57 121.25 1s6u h LYS 59 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1s6u h LYS 59 Cb 0.56 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1s6u h LYS 59 CO 0.03 -0.04 0.22 1.96 -2.81 0.00 0.00 179.45 178.81 1s6u h GLN 60 N -0.06 0.46 0.21 1.90 1.08 -0.32 0.82 115.11 119.19 1s6u h GLN 60 Ca 0.30 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1s6u h GLN 60 Cb 0.53 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1s6u h GLN 60 CO -0.71 0.32 -0.10 0.82 -0.95 0.00 0.00 178.83 178.22 1s6u h ILE 61 N 0.46 0.00 -1.07 2.54 2.04 0.12 -3.17 117.51 118.43 1s6u h ILE 61 Ca 0.12 -0.14 0.31 0.00 1.00 0.00 0.00 64.86 66.15 1s6u h ILE 61 Cb -0.03 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.93 1s6u h ILE 61 CO -0.03 0.00 0.66 -0.08 0.00 0.00 0.00 178.15 178.71 1s6u h GLU 62 N -0.42 0.35 -0.60 2.37 4.81 0.30 0.94 114.58 122.31 1s6u h GLU 62 Ca -0.03 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1s6u h GLU 62 Cb 0.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1s6u h GLU 62 CO 0.05 0.23 0.41 0.00 -0.73 0.00 0.00 179.01 178.97 1s6u h ALA 63 N 1.70 2.24 -0.51 2.92 0.00 -0.82 0.15 119.26 124.94 1s6u h ALA 63 Ca 0.68 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.62 1s6u h ALA 63 Cb 1.69 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1s6u h ALA 63 CO -0.43 -0.40 0.28 0.52 0.00 0.00 0.00 179.25 179.21 1s6u h MET 64 N 0.23 0.53 0.00 0.00 2.86 -0.78 -3.47 114.93 114.30 1s6u h MET 64 Ca 0.29 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1s6u h MET 64 Cb 0.81 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1s6u h MET 64 CO -0.06 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.67 1s6u n GLY 65 N -1.25 0.92 3.62 8.32 0.00 0.54 -5.12 105.19 112.23 1s6u n GLY 65 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 2.76 0.27 1.61 0.08 -1.25 -4.97 117.98 116.47 1s6u s PHE 66 Ca 0.00 0.88 -0.29 0.00 0.12 0.00 0.00 56.93 57.63 1s6u s PHE 66 Cb 0.00 -4.01 -0.10 0.00 -0.57 0.00 0.00 43.02 38.34 1s6u s PHE 66 CO 0.00 -1.49 1.33 -1.25 -0.10 0.00 0.00 175.22 173.71 1s6u s PRO 67 N 4.23 4.36 -0.02 0.24 0.04 -1.26 -3.84 135.00 138.74 1s6u s PRO 67 Ca 0.53 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.75 1s6u s PRO 67 Cb -0.14 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1s6u s PRO 67 CO 0.24 -0.24 -0.02 0.00 0.04 0.00 0.00 177.00 177.02 1s6u s ALA 68 N -0.50 0.38 -1.09 8.56 0.00 -1.26 -3.28 121.76 124.57 1s6u s ALA 68 Ca 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1s6u s ALA 68 Cb -0.39 -0.26 0.29 0.00 0.00 0.00 0.00 23.12 22.76 1s6u s ALA 68 CO 0.46 -0.01 1.29 1.19 0.00 0.00 0.00 175.76 178.69 1s6u n PHE 69 N 3.77 3.76 -1.83 0.00 3.01 0.67 -4.92 117.46 121.92 1s6u n PHE 69 Ca -0.23 -3.27 -0.39 0.00 1.01 0.00 0.00 57.45 54.57 1s6u n PHE 69 Cb 0.53 -1.46 -0.03 0.00 -0.01 0.00 0.00 39.48 38.51 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s6u s VAL 70 N -2.05 3.24 -0.44 -4.37 0.11 -1.26 -2.05 120.40 113.58 1s6u s VAL 70 Ca 0.31 0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 1s6u s VAL 70 Cb -0.02 -3.47 0.34 0.00 -1.53 0.00 0.00 36.38 31.69 1s6u s VAL 70 CO 0.01 -0.40 1.10 2.29 -3.33 0.00 0.00 175.10 174.77 1s6u n LYS 71 N 8.89 1.04 -3.68 1.54 2.85 -0.88 -4.98 118.16 122.95 1s6u n LYS 71 Ca 0.27 -2.12 -0.12 0.00 -1.05 0.00 0.00 58.31 55.29 1s6u n LYS 71 Cb 0.51 -0.99 -0.09 0.00 -0.65 0.00 0.00 35.03 33.81 1s6u n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1s6u s LYS 72 N -0.14 0.63 -0.45 -1.58 2.47 -1.22 -4.93 119.74 114.52 1s6u s LYS 72 Ca 0.24 0.86 0.03 0.00 -1.56 0.00 0.00 55.97 55.55 1s6u s LYS 72 Cb 0.32 0.24 0.16 0.00 -1.46 0.00 0.00 37.83 37.08 1s6u s LYS 72 CO -0.06 -0.10 0.32 0.42 0.16 0.00 0.00 175.35 176.09 1s6u s ILE 73 N 0.71 0.84 -0.46 5.43 1.01 -1.26 -3.38 121.20 124.08 1s6u s ILE 73 Ca -0.03 -2.69 0.07 0.00 0.00 0.00 0.00 60.65 58.00 1s6u s ILE 73 Cb -0.05 -1.58 0.25 0.00 0.01 0.00 0.00 42.46 41.09 1s6u s ILE 73 CO -0.05 -1.10 0.58 1.21 0.00 0.00 0.00 174.94 175.58 1s6u n GLU 74 N 3.05 1.21 -0.31 2.79 4.07 -1.03 -4.99 120.64 125.43 1s6u n GLU 74 Ca 0.22 -3.63 -0.07 0.00 -0.06 0.00 0.00 57.16 53.62 1s6u n GLU 74 Cb 0.42 -1.51 0.06 0.00 -0.06 0.00 0.00 31.44 30.34 1s6u n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s6u n GLY 75 N 1.28 -2.11 0.00 8.31 0.00 -1.26 -4.41 105.19 107.01 1s6u n GLY 75 Ca 0.24 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.81 1s6u n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86