#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 -0.34 -5.28 1.61 2.13 -1.26 -5.09 120.64 112.41 1s6u n GLU 2 Ca 0.00 0.72 -0.31 0.00 0.66 0.00 0.00 57.16 58.22 1s6u n GLU 2 Cb 0.00 -0.84 -0.16 0.00 0.27 0.00 0.00 31.44 30.71 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1s6u s VAL 3 N -0.04 2.06 -0.04 6.31 -7.23 -0.27 -4.95 120.40 116.24 1s6u s VAL 3 Ca -0.00 -1.08 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 1s6u s VAL 3 Cb 0.00 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1s6u s VAL 3 CO 0.01 0.57 0.52 0.54 -0.31 0.00 0.00 175.10 176.43 1s6u s VAL 4 N -0.26 5.02 0.14 1.32 0.11 -1.19 -1.67 120.40 123.87 1s6u s VAL 4 Ca -0.01 1.06 0.10 0.00 -2.93 0.00 0.00 61.98 60.21 1s6u s VAL 4 Cb -0.13 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 1s6u s VAL 4 CO 0.03 0.42 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.23 1s6u s LEU 5 N -0.13 2.35 -0.15 2.54 1.02 0.48 -1.99 118.68 122.80 1s6u s LEU 5 Ca 0.28 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.67 1s6u s LEU 5 Cb -0.17 -1.06 0.01 0.00 0.02 0.00 0.00 46.19 45.00 1s6u s LEU 5 CO 0.14 0.10 -0.21 -0.75 0.02 0.00 0.00 176.35 175.66 1s6u s LYS 6 N -2.25 2.97 -0.09 1.70 2.47 -1.21 -1.06 119.74 122.27 1s6u s LYS 6 Ca 0.13 -0.83 0.03 0.00 -1.56 0.00 0.00 55.97 53.74 1s6u s LYS 6 Cb -0.09 -2.46 0.01 0.00 -1.46 0.00 0.00 37.83 33.82 1s6u s LYS 6 CO 0.06 -0.09 -0.18 0.00 0.16 0.00 0.00 175.35 175.30 1s6u s MET 7 N 1.01 2.43 -0.23 4.03 0.23 0.06 -2.45 119.30 124.37 1s6u s MET 7 Ca -0.02 -0.66 -0.22 0.00 -1.03 0.00 0.00 55.69 53.76 1s6u s MET 7 Cb -0.14 -1.90 -0.02 0.00 -1.53 0.00 0.00 34.83 31.24 1s6u s MET 7 CO -0.06 0.09 0.71 0.15 -2.03 0.00 0.00 175.02 173.88 1s6u s LYS 8 N 0.53 4.16 -0.05 3.16 3.01 -1.03 0.05 119.74 129.58 1s6u s LYS 8 Ca -0.16 0.72 -0.00 0.00 -1.01 0.00 0.00 55.97 55.51 1s6u s LYS 8 Cb -0.17 -3.63 0.03 0.00 -1.01 0.00 0.00 37.83 33.05 1s6u s LYS 8 CO 0.06 -0.41 0.00 0.54 0.51 0.00 0.00 175.35 176.05 1s6u s VAL 9 N 2.48 0.25 0.34 3.17 0.11 -1.12 -0.11 120.40 125.52 1s6u s VAL 9 Ca 0.30 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.36 1s6u s VAL 9 Cb -0.16 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.24 1s6u s VAL 9 CO 0.09 0.20 0.69 -1.61 -3.33 0.00 0.00 175.10 171.14 1s6u s GLU 10 N 1.49 3.83 0.00 1.54 0.41 -1.21 -4.25 118.70 120.51 1s6u s GLU 10 Ca -0.03 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1s6u s GLU 10 Cb -0.13 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1s6u s GLU 10 CO -0.03 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1s6u n GLY 11 N -0.77 3.05 3.57 -1.39 0.00 -1.26 -4.57 105.19 103.82 1s6u n GLY 11 Ca 0.02 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 2.54 0.00 1.61 -1.94 -1.26 -4.31 119.30 115.94 1s6u s MET 12 Ca 0.00 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1s6u s MET 12 Cb 0.00 -5.21 0.00 0.00 2.01 0.00 0.00 34.83 31.63 1s6u s MET 12 CO 0.00 -3.80 0.01 2.41 -0.01 0.00 0.00 175.02 173.63 1s6u n THR 13 N 7.79 0.00 0.42 2.05 -1.04 -1.26 -4.31 114.28 117.93 1s6u n THR 13 Ca 0.44 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.41 1s6u n THR 13 Cb 0.47 1.06 0.27 0.00 -1.82 0.00 0.00 70.33 70.31 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u n HIS 15 N -2.66 0.00 0.20 0.00 -0.00 -1.26 -4.83 115.22 106.68 1s6u n HIS 15 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.69 1s6u n HIS 15 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 1s6u n HIS 15 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1s6u h SER 16 N 0.00 -0.44 -0.54 0.41 0.02 -1.99 -2.94 113.55 108.08 1s6u h SER 16 Ca 0.00 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1s6u h SER 16 Cb 0.00 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 1s6u h SER 16 CO 0.00 -0.29 -0.01 0.00 -1.14 0.00 0.00 176.83 175.40 1s6u h THR 18 N 0.11 0.00 -0.31 0.00 1.35 -1.88 0.14 112.91 112.32 1s6u h THR 18 Ca 0.27 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.15 1s6u h THR 18 Cb 0.42 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1s6u h THR 18 CO -0.46 0.00 0.18 -1.28 -0.25 0.00 0.00 175.52 173.71 1s6u h SER 19 N -0.42 0.30 -0.39 5.36 0.87 -1.24 0.85 113.55 118.88 1s6u h SER 19 Ca 0.03 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1s6u h SER 19 Cb 0.51 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 1s6u h SER 19 CO -0.36 0.22 -0.10 0.74 -0.53 0.00 0.00 176.83 176.79 1s6u h THR 20 N 0.38 0.60 -0.14 2.23 2.02 -0.44 0.14 112.91 117.69 1s6u h THR 20 Ca 0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1s6u h THR 20 Cb -0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1s6u h THR 20 CO -0.05 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.24 1s6u h ILE 21 N -0.01 1.24 -0.70 3.11 2.04 -0.33 0.12 117.51 122.98 1s6u h ILE 21 Ca 0.19 -0.79 0.13 0.00 1.00 0.00 0.00 64.86 65.38 1s6u h ILE 21 Cb 0.29 1.49 -0.13 0.00 -0.74 0.00 0.00 36.82 37.74 1s6u h ILE 21 CO -0.40 0.23 -0.29 -0.33 0.00 0.00 0.00 178.15 177.36 1s6u h GLU 22 N -0.01 -0.08 0.90 2.37 5.08 -0.38 0.11 114.58 122.57 1s6u h GLU 22 Ca 0.04 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1s6u h GLU 22 Cb 0.35 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1s6u h GLU 22 CO 0.01 -0.06 -0.47 0.78 -1.00 0.00 0.00 179.01 178.27 1s6u h GLY 23 N -0.09 -1.34 0.64 -3.84 0.00 -0.47 0.14 103.07 98.11 1s6u h GLY 23 Ca 0.29 0.51 0.03 0.00 0.00 0.00 0.00 47.33 48.17 1s6u h GLY 23 CO -0.76 -0.48 -0.08 1.70 0.00 0.00 0.00 176.54 176.93 1s6u h LYS 24 N -1.25 -0.08 -0.31 4.80 3.11 -0.23 -1.21 116.57 121.40 1s6u h LYS 24 Ca -0.12 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.57 1s6u h LYS 24 Cb 0.97 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1s6u h LYS 24 CO 0.18 -0.05 -0.39 0.82 -2.81 0.00 0.00 179.45 177.20 1s6u h ILE 25 N -0.08 1.29 -1.01 2.00 1.08 -0.89 -2.87 117.51 117.02 1s6u h ILE 25 Ca 0.08 -1.58 0.26 0.00 -0.39 0.00 0.00 64.86 63.23 1s6u h ILE 25 Cb 0.19 1.56 -0.07 0.00 -3.07 0.00 0.00 36.82 35.43 1s6u h ILE 25 CO -0.17 0.51 0.68 1.23 -0.69 0.00 0.00 178.15 179.71 1s6u h GLY 26 N 0.59 0.83 1.79 5.37 0.00 -0.13 0.08 103.07 111.59 1s6u h GLY 26 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1s6u h GLY 26 CO 0.09 -0.07 0.00 1.17 0.00 0.00 0.00 176.54 177.73 1s6u n LYS 27 N -4.50 0.12 -2.45 4.80 4.81 -0.51 -4.82 118.16 115.60 1s6u n LYS 27 Ca 0.23 0.18 -0.37 0.00 -0.87 0.00 0.00 58.31 57.47 1s6u n LYS 27 Cb 0.90 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.41 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 -2.79 4.20 -1.56 3.14 1.43 0.01 -4.92 118.68 118.19 1s6u s LEU 28 Ca 0.12 2.16 -0.10 0.00 -1.03 0.00 0.00 54.13 55.28 1s6u s LEU 28 Cb 0.11 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1s6u s LEU 28 CO 0.28 -0.52 2.79 0.00 0.23 0.00 0.00 176.35 179.12 1s6u n GLN 29 N 0.10 3.76 0.00 1.70 10.64 -1.26 -3.42 117.38 128.89 1s6u n GLN 29 Ca 0.04 -2.46 0.00 0.00 -1.83 0.00 0.00 57.00 52.76 1s6u n GLN 29 Cb 0.48 -2.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 1s6u n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6u n GLY 30 N 3.34 0.00 3.64 2.61 0.00 -1.26 -4.61 105.19 108.91 1s6u n GLY 30 Ca 0.73 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 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 3.74 -0.11 1.61 1.01 -1.22 -1.58 120.40 123.85 1s6u s VAL 31 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1s6u s VAL 31 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1s6u s VAL 31 CO 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 175.10 175.09 1s6u n GLN 32 N 0.53 0.27 -3.63 2.72 1.13 -0.00 -4.87 117.38 113.52 1s6u n GLN 32 Ca -0.12 0.06 -0.10 0.00 -1.94 0.00 0.00 57.00 54.91 1s6u n GLN 32 Cb 0.52 -1.20 -0.02 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.21 1.53 -0.21 -1.09 3.52 -0.02 -5.03 118.95 115.43 1s6u s ARG 33 Ca -0.14 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.50 1s6u s ARG 33 Cb 0.04 0.60 0.06 0.00 -1.56 0.00 0.00 34.95 34.09 1s6u s ARG 33 CO 0.25 -0.69 0.63 -1.50 -0.81 0.00 0.00 175.30 173.18 1s6u s ILE 34 N -3.83 0.00 -0.02 4.11 2.07 -1.26 -0.34 121.20 121.93 1s6u s ILE 34 Ca 0.06 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1s6u s ILE 34 Cb -0.03 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1s6u s ILE 34 CO -0.03 -0.01 0.09 -0.54 -1.91 0.00 0.00 174.94 172.54 1s6u s LYS 35 N 0.13 0.27 -0.06 3.50 -0.14 0.44 -4.98 119.74 118.90 1s6u s LYS 35 Ca -0.02 -0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.48 1s6u s LYS 35 Cb -0.04 0.11 0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1s6u s LYS 35 CO 0.02 -0.05 -0.14 0.08 -0.76 0.00 0.00 175.35 174.50 1s6u s VAL 36 N -0.64 1.25 -0.52 3.17 1.01 -1.26 0.10 120.40 123.51 1s6u s VAL 36 Ca -0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1s6u s VAL 36 Cb -0.04 -1.12 0.14 0.00 0.00 0.00 0.00 36.38 35.36 1s6u s VAL 36 CO 0.00 0.38 0.32 -0.44 0.00 0.00 0.00 175.10 175.36 1s6u s SER 37 N 0.45 5.12 0.14 3.32 0.01 0.69 -4.98 113.70 118.45 1s6u s SER 37 Ca -0.11 -2.55 -0.17 0.00 1.31 0.00 0.00 55.95 54.43 1s6u s SER 37 Cb -0.14 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 1s6u s SER 37 CO 0.04 -0.42 1.76 0.17 0.41 0.00 0.00 173.24 175.20 1s6u h LEU 38 N 7.36 0.42 -0.23 2.44 -0.00 -1.77 0.30 115.31 123.83 1s6u h LEU 38 Ca -0.06 -0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.81 1s6u h LEU 38 Cb 0.98 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.46 1s6u h LEU 38 CO 0.70 0.36 -0.43 0.44 -0.00 0.00 0.00 178.44 179.50 1s6u h ASP 39 N 0.45 -1.38 -0.46 0.17 5.19 -1.93 0.07 116.42 118.52 1s6u h ASP 39 Ca 0.12 0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1s6u h ASP 39 Cb 0.02 0.58 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1s6u h ASP 39 CO -0.02 -0.41 0.03 -3.20 -3.12 0.00 0.00 179.24 172.52 1s6u n ASN 40 N -5.43 4.57 -3.40 6.45 5.15 -1.24 -4.94 115.26 116.42 1s6u n ASN 40 Ca -0.03 -2.75 -0.17 0.00 -0.60 0.00 0.00 54.58 51.04 1s6u n ASN 40 Cb 0.36 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6u n GLN 41 N 0.40 -0.77 -4.23 1.20 6.02 0.01 -4.97 117.38 115.04 1s6u n GLN 41 Ca 0.23 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1s6u n GLN 41 Cb 1.01 -1.11 -0.10 0.00 1.02 0.00 0.00 30.24 31.05 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 -4.34 1.00 0.05 -1.09 2.12 0.08 -2.79 118.70 113.72 1s6u s GLU 42 Ca 0.07 -1.33 0.03 0.00 0.36 0.00 0.00 54.97 54.10 1s6u s GLU 42 Cb -0.04 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.65 1s6u s GLU 42 CO 0.50 0.10 -0.09 0.00 -0.54 0.00 0.00 175.26 175.23 1s6u s ALA 43 N -2.83 0.66 -0.12 6.30 0.00 0.11 -0.22 121.76 125.66 1s6u s ALA 43 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1s6u s ALA 43 Cb -0.01 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1s6u s ALA 43 CO 0.01 0.01 -0.11 0.99 0.00 0.00 0.00 175.76 176.67 1s6u s THR 44 N -1.35 1.23 -0.13 0.00 2.01 0.12 -0.76 115.64 116.75 1s6u s THR 44 Ca -0.09 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1s6u s THR 44 Cb -0.10 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1s6u s THR 44 CO 0.01 0.40 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.62 1s6u s ILE 45 N 1.50 1.16 -0.29 1.82 -1.09 -0.23 -0.42 121.20 123.65 1s6u s ILE 45 Ca 0.02 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1s6u s ILE 45 Cb -0.13 -1.19 0.08 0.00 -1.58 0.00 0.00 42.46 39.64 1s6u s ILE 45 CO -0.07 0.33 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.25 1s6u s VAL 46 N 1.65 2.03 0.31 2.92 1.01 0.54 -0.38 120.40 128.47 1s6u s VAL 46 Ca 0.04 -1.83 0.04 0.00 0.00 0.00 0.00 61.98 60.24 1s6u s VAL 46 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1s6u s VAL 46 CO -0.09 -0.30 0.20 -0.72 0.00 0.00 0.00 175.10 174.20 1s6u s TYR 47 N 1.10 1.62 -0.39 5.22 -0.85 -0.67 -0.82 117.35 122.56 1s6u s TYR 47 Ca 0.00 -1.49 -0.10 0.00 -0.52 0.00 0.00 57.07 54.97 1s6u s TYR 47 Cb -0.19 -0.79 0.05 0.00 0.38 0.00 0.00 41.96 41.41 1s6u s TYR 47 CO -0.08 -0.66 0.22 -1.14 -1.52 0.00 0.00 175.55 172.37 1s6u s GLN 48 N -3.70 2.73 -1.11 -3.49 0.74 -0.62 -1.11 119.66 113.09 1s6u s GLN 48 Ca 0.37 -1.23 -0.19 0.00 0.05 0.00 0.00 55.36 54.37 1s6u s GLN 48 Cb 0.04 -3.73 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 1s6u s GLN 48 CO 0.21 -0.79 2.02 -0.35 -0.55 0.00 0.00 175.29 175.83 1s6u n PRO 49 N 4.95 2.17 0.00 1.67 -0.04 -1.26 -1.60 135.00 140.89 1s6u n PRO 49 Ca -0.11 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1s6u n PRO 49 Cb 0.45 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1s6u n PRO 49 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s6u n HIS 50 N 7.72 0.00 -0.01 0.54 -0.00 -1.26 -4.98 115.22 117.22 1s6u n HIS 50 Ca 0.50 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.46 1s6u n HIS 50 Cb 0.41 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.15 1s6u n HIS 50 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1s6u n LEU 51 N -0.73 2.48 -4.06 0.27 4.77 -0.63 -5.01 117.00 114.10 1s6u n LEU 51 Ca 0.00 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1s6u n LEU 51 Cb 0.00 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1s6u n LEU 51 CO 0.00 0.74 -0.31 -0.51 -1.33 0.00 0.00 177.39 175.98 1s6u s ILE 52 N -2.52 0.19 0.39 -0.08 1.10 -1.20 -4.76 121.20 114.32 1s6u s ILE 52 Ca -0.24 -1.71 0.08 0.00 -0.51 0.00 0.00 60.65 58.27 1s6u s ILE 52 Cb 0.06 -1.55 -0.08 0.00 0.15 0.00 0.00 42.46 41.05 1s6u s ILE 52 CO 0.74 -0.88 -0.01 -0.94 -2.11 0.00 0.00 174.94 171.73 1s6u s SER 53 N -2.92 3.85 0.28 4.50 1.04 -1.26 -4.40 113.70 114.79 1s6u s SER 53 Ca 0.09 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.21 1s6u s SER 53 Cb 0.07 -0.39 0.65 0.00 0.10 0.00 0.00 66.02 66.46 1s6u s SER 53 CO -0.09 -0.39 1.73 0.58 0.98 0.00 0.00 173.24 176.04 1s6u h VAL 54 N 1.82 0.59 -0.17 5.02 2.07 -1.99 -2.66 116.25 120.92 1s6u h VAL 54 Ca -0.44 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1s6u h VAL 54 Cb 1.24 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1s6u h VAL 54 CO 0.78 0.09 -0.06 -0.08 0.02 0.00 0.00 177.57 178.32 1s6u h GLU 55 N 0.50 0.35 -0.42 1.57 4.57 -1.98 0.11 114.58 119.28 1s6u h GLU 55 Ca 0.52 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.62 1s6u h GLU 55 Cb 0.89 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.38 1s6u h GLU 55 CO -0.45 0.64 -0.48 0.93 -1.18 0.00 0.00 179.01 178.46 1s6u h GLU 56 N 0.04 -0.34 -0.06 1.92 3.07 -1.93 0.56 114.58 117.85 1s6u h GLU 56 Ca 0.04 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1s6u h GLU 56 Cb 0.52 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1s6u h GLU 56 CO 0.02 -0.23 -0.18 0.52 -1.40 0.00 0.00 179.01 177.75 1s6u h MET 57 N -0.35 -0.17 0.89 2.33 2.86 -1.21 -0.70 114.93 118.59 1s6u h MET 57 Ca 0.12 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1s6u h MET 57 Cb 0.59 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.30 1s6u h MET 57 CO -0.59 -0.12 -0.43 -0.22 1.06 0.00 0.00 176.91 176.61 1s6u h LYS 58 N -0.18 -1.16 -0.93 1.72 3.64 -0.40 0.52 116.57 119.79 1s6u h LYS 58 Ca 0.01 0.08 0.18 0.00 -1.27 0.00 0.00 60.65 59.65 1s6u h LYS 58 Cb 0.22 0.26 -0.17 0.00 -0.41 0.00 0.00 32.23 32.12 1s6u h LYS 58 CO -0.15 -0.77 -0.24 -0.22 -2.27 0.00 0.00 179.45 175.80 1s6u h LYS 59 N -1.22 -0.00 -0.48 1.90 3.11 0.08 0.82 116.57 120.77 1s6u h LYS 59 Ca -0.12 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.65 1s6u h LYS 59 Cb 0.92 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 1s6u h LYS 59 CO 0.20 -0.00 0.04 1.96 -2.81 0.00 0.00 179.45 178.84 1s6u h GLN 60 N -0.00 0.82 0.41 1.90 1.08 -0.86 -1.33 115.11 117.12 1s6u h GLN 60 Ca 0.44 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1s6u h GLN 60 Cb 0.67 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1s6u h GLN 60 CO -0.95 0.84 -0.20 0.82 -0.95 0.00 0.00 178.83 178.39 1s6u h ILE 61 N 0.68 0.00 -0.99 2.54 2.04 0.18 -3.20 117.51 118.75 1s6u h ILE 61 Ca 0.14 -0.32 0.37 0.00 1.00 0.00 0.00 64.86 66.06 1s6u h ILE 61 Cb 0.44 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.35 1s6u h ILE 61 CO 0.02 0.00 0.49 -0.08 0.00 0.00 0.00 178.15 178.58 1s6u h GLU 62 N -0.87 0.10 -0.72 2.37 4.81 0.35 0.18 114.58 120.81 1s6u h GLU 62 Ca -0.06 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.35 1s6u h GLU 62 Cb 0.42 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1s6u h GLU 62 CO 0.09 0.07 0.50 0.00 -0.73 0.00 0.00 179.01 178.94 1s6u h ALA 63 N 1.95 2.48 -0.98 2.92 0.00 -1.23 0.23 119.26 124.62 1s6u h ALA 63 Ca 0.78 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.73 1s6u h ALA 63 Cb 1.95 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1s6u h ALA 63 CO -0.73 -0.68 0.64 0.52 0.00 0.00 0.00 179.25 178.99 1s6u h MET 64 N 0.13 1.15 0.00 0.00 2.86 -0.70 -3.46 114.93 114.91 1s6u h MET 64 Ca 0.35 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1s6u h MET 64 Cb 1.18 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1s6u h MET 64 CO -0.05 0.76 0.00 0.41 1.06 0.00 0.00 176.91 179.09 1s6u n GLY 65 N -1.38 0.96 3.57 8.32 0.00 0.80 -5.12 105.19 112.36 1s6u n GLY 65 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.24 3.02 0.06 1.61 0.08 -1.24 -5.01 117.98 116.26 1s6u s PHE 66 Ca 0.00 0.47 -0.31 0.00 0.12 0.00 0.00 56.93 57.21 1s6u s PHE 66 Cb 0.00 -3.70 -0.07 0.00 -0.57 0.00 0.00 43.02 38.68 1s6u s PHE 66 CO 0.00 -0.93 1.37 -1.25 -0.10 0.00 0.00 175.22 174.31 1s6u s PRO 67 N 3.45 4.32 -0.03 0.24 0.04 -1.26 -4.00 135.00 137.76 1s6u s PRO 67 Ca 0.35 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.45 1s6u s PRO 67 Cb -0.12 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1s6u s PRO 67 CO 0.22 -0.47 -0.25 0.00 0.04 0.00 0.00 177.00 176.54 1s6u s ALA 68 N 1.62 2.09 -0.86 8.56 0.00 -1.26 -3.36 121.76 128.54 1s6u s ALA 68 Ca 0.63 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1s6u s ALA 68 Cb -0.34 -0.56 0.23 0.00 0.00 0.00 0.00 23.12 22.46 1s6u s ALA 68 CO 0.29 0.49 0.85 1.19 0.00 0.00 0.00 175.76 178.58 1s6u n PHE 69 N 2.57 3.78 -2.00 0.00 3.01 0.84 -4.88 117.46 120.77 1s6u n PHE 69 Ca -0.16 -3.95 -0.40 0.00 1.01 0.00 0.00 57.45 53.96 1s6u n PHE 69 Cb 0.51 -1.00 -0.03 0.00 -0.01 0.00 0.00 39.48 38.95 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 -1.80 3.38 -0.43 -4.37 0.11 -1.26 -2.47 120.40 113.56 1s6u s VAL 70 Ca 0.30 0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.73 1s6u s VAL 70 Cb -0.01 -3.80 0.35 0.00 -1.53 0.00 0.00 36.38 31.39 1s6u s VAL 70 CO -0.08 -0.70 1.11 2.29 -3.33 0.00 0.00 175.10 174.40 1s6u n LYS 71 N 8.92 1.06 -3.65 1.54 2.85 -1.03 -4.99 118.16 122.88 1s6u n LYS 71 Ca 0.22 -2.18 -0.14 0.00 -1.05 0.00 0.00 58.31 55.16 1s6u n LYS 71 Cb 0.51 -0.90 -0.07 0.00 -0.65 0.00 0.00 35.03 33.91 1s6u n LYS 71 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s6u s LYS 72 N -0.31 0.78 -0.43 -1.58 -0.14 -1.24 -4.94 119.74 111.88 1s6u s LYS 72 Ca 0.25 0.94 0.04 0.00 -1.36 0.00 0.00 55.97 55.84 1s6u s LYS 72 Cb 0.33 0.38 0.17 0.00 -1.68 0.00 0.00 37.83 37.03 1s6u s LYS 72 CO -0.06 -0.09 0.34 0.42 -0.76 0.00 0.00 175.35 175.20 1s6u s ILE 73 N 0.38 0.58 0.82 2.17 1.09 -1.26 -3.34 121.20 121.64 1s6u s ILE 73 Ca -0.00 -2.74 -0.09 0.00 -1.10 0.00 0.00 60.65 56.72 1s6u s ILE 73 Cb -0.05 -1.41 0.14 0.00 -1.06 0.00 0.00 42.46 40.08 1s6u s ILE 73 CO 0.01 -1.19 1.14 -0.70 -0.10 0.00 0.00 174.94 174.09 1s6u s GLU 74 N -0.01 1.37 0.00 2.79 2.56 -0.84 -4.97 118.70 119.60 1s6u s GLU 74 Ca 0.31 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.69 1s6u s GLU 74 Cb 0.01 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 34.06 1s6u s GLU 74 CO -0.18 -1.81 0.00 0.41 -0.56 0.00 0.00 175.26 173.12 1s6u n GLY 75 N -3.26 -0.28 0.78 -1.50 0.00 -1.26 -3.16 105.19 96.51 1s6u n GLY 75 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19