#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 -3.12 -3.09 1.61 -0.58 -1.26 -4.82 120.64 109.38 1s6u n GLU 2 Ca 0.00 -1.03 -0.39 0.00 -0.42 0.00 0.00 57.16 55.32 1s6u n GLU 2 Cb 0.00 -1.13 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 1s6u n GLU 2 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s6u s VAL 3 N -1.99 4.87 -0.30 2.62 1.01 -0.74 -4.72 120.40 121.15 1s6u s VAL 3 Ca 0.44 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.75 1s6u s VAL 3 Cb -0.06 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1s6u s VAL 3 CO 0.35 0.36 0.13 0.54 0.00 0.00 0.00 175.10 176.49 1s6u s VAL 4 N 0.06 4.48 -0.13 2.92 0.11 -1.10 -1.49 120.40 125.25 1s6u s VAL 4 Ca 0.35 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1s6u s VAL 4 Cb -0.19 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1s6u s VAL 4 CO 0.19 0.10 0.09 -0.76 -3.33 0.00 0.00 175.10 171.39 1s6u s LEU 5 N 1.60 4.04 -0.26 2.54 2.01 0.09 -0.78 118.68 127.92 1s6u s LEU 5 Ca 0.04 0.28 -0.02 0.00 0.01 0.00 0.00 54.13 54.44 1s6u s LEU 5 Cb -0.17 -1.99 0.03 0.00 0.01 0.00 0.00 46.19 44.07 1s6u s LEU 5 CO 0.05 0.33 -0.04 -0.75 1.01 0.00 0.00 176.35 176.96 1s6u s LYS 6 N -0.55 2.84 -0.11 1.70 2.47 -1.25 -1.40 119.74 123.44 1s6u s LYS 6 Ca 0.11 -0.98 0.03 0.00 -1.56 0.00 0.00 55.97 53.57 1s6u s LYS 6 Cb -0.12 -3.05 -0.00 0.00 -1.46 0.00 0.00 37.83 33.19 1s6u s LYS 6 CO 0.02 -0.42 -0.21 0.00 0.16 0.00 0.00 175.35 174.90 1s6u s MET 7 N 1.34 3.13 -0.11 4.03 0.23 -0.13 -2.39 119.30 125.42 1s6u s MET 7 Ca 0.00 -0.82 -0.29 0.00 -1.03 0.00 0.00 55.69 53.54 1s6u s MET 7 Cb -0.17 -2.39 -0.01 0.00 -1.53 0.00 0.00 34.83 30.73 1s6u s MET 7 CO -0.03 0.20 1.01 0.15 -2.03 0.00 0.00 175.02 174.31 1s6u s LYS 8 N 0.32 4.42 -0.05 3.16 3.01 -1.02 -0.23 119.74 129.35 1s6u s LYS 8 Ca -0.16 1.39 0.03 0.00 -1.01 0.00 0.00 55.97 56.22 1s6u s LYS 8 Cb -0.17 -3.55 -0.03 0.00 -1.01 0.00 0.00 37.83 33.08 1s6u s LYS 8 CO 0.08 -0.32 -0.12 0.14 0.51 0.00 0.00 175.35 175.63 1s6u s VAL 9 N 2.04 3.22 0.19 3.17 -7.23 -0.02 -0.25 120.40 121.52 1s6u s VAL 9 Ca 0.48 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 1s6u s VAL 9 Cb -0.18 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1s6u s VAL 9 CO 0.18 0.58 0.22 -1.61 -0.31 0.00 0.00 175.10 174.15 1s6u s GLU 10 N -0.80 3.12 0.00 4.82 0.41 -1.23 -4.54 118.70 120.49 1s6u s GLU 10 Ca 0.12 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 1s6u s GLU 10 Cb -0.11 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1s6u s GLU 10 CO 0.01 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 1s6u n GLY 11 N -0.70 1.87 3.58 -1.39 0.00 -1.26 -4.76 105.19 102.52 1s6u n GLY 11 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 2.15 -0.64 1.61 -1.94 -1.26 -4.76 119.30 114.45 1s6u s MET 12 Ca 0.00 -0.92 0.05 0.00 -1.71 0.00 0.00 55.69 53.11 1s6u s MET 12 Cb 0.00 -5.16 0.30 0.00 2.01 0.00 0.00 34.83 31.97 1s6u s MET 12 CO 0.00 -4.36 0.90 2.41 -0.01 0.00 0.00 175.02 173.96 1s6u n THR 13 N 8.14 2.94 -3.70 2.05 -1.04 -1.26 -4.48 114.28 116.92 1s6u n THR 13 Ca 0.44 -5.45 -0.02 0.00 -2.04 0.00 0.00 64.05 56.98 1s6u n THR 13 Cb 0.47 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.21 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 -0.46 0.36 -0.03 0.00 8.25 -1.26 -4.36 115.22 117.72 1s6u n HIS 15 Ca -0.07 -0.18 -0.01 0.00 -0.26 0.00 0.00 57.72 57.20 1s6u n HIS 15 Cb 0.61 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 1s6u n HIS 15 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1s6u h SER 16 N 3.15 0.00 -0.42 0.41 0.87 -1.98 -3.16 113.55 112.43 1s6u h SER 16 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1s6u h SER 16 Cb 0.70 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 1s6u h SER 16 CO 0.00 0.27 0.18 0.00 -0.53 0.00 0.00 176.83 176.75 1s6u h THR 18 N 0.38 0.00 -0.74 0.00 1.35 -1.77 0.10 112.91 112.23 1s6u h THR 18 Ca 0.18 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.18 1s6u h THR 18 Cb 0.12 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.45 1s6u h THR 18 CO -0.15 0.00 0.31 -1.28 -0.25 0.00 0.00 175.52 174.14 1s6u h SER 19 N -0.75 0.31 -0.03 5.36 0.87 -1.46 0.19 113.55 118.04 1s6u h SER 19 Ca -0.02 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1s6u h SER 19 Cb 0.72 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1s6u h SER 19 CO -0.21 0.13 -0.06 0.74 -0.53 0.00 0.00 176.83 176.90 1s6u h THR 20 N 0.47 0.83 -0.39 2.23 2.02 -0.06 0.15 112.91 118.16 1s6u h THR 20 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 1s6u h THR 20 Cb 0.57 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1s6u h THR 20 CO -0.38 0.00 0.22 0.40 0.37 0.00 0.00 175.52 176.14 1s6u h ILE 21 N -0.10 1.14 -0.33 3.11 5.03 -0.11 0.12 117.51 126.37 1s6u h ILE 21 Ca 0.03 -0.35 0.07 0.00 -0.12 0.00 0.00 64.86 64.50 1s6u h ILE 21 Cb 0.14 0.66 -0.07 0.00 -3.03 0.00 0.00 36.82 34.52 1s6u h ILE 21 CO -0.08 0.14 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.03 1s6u h GLU 22 N 0.51 -0.12 0.36 2.37 5.08 -0.19 0.22 114.58 122.81 1s6u h GLU 22 Ca 0.14 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1s6u h GLU 22 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1s6u h GLU 22 CO -0.02 -0.08 -0.24 0.78 -1.00 0.00 0.00 179.01 178.45 1s6u h GLY 23 N -0.13 -0.61 0.90 -3.84 0.00 -0.48 0.16 103.07 99.08 1s6u h GLY 23 Ca 0.17 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1s6u h GLY 23 CO -0.41 -0.23 -0.12 1.70 0.00 0.00 0.00 176.54 177.48 1s6u h LYS 24 N -0.58 -0.27 -0.66 4.80 1.63 -0.39 -1.01 116.57 120.08 1s6u h LYS 24 Ca -0.04 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1s6u h LYS 24 Cb 0.49 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1s6u h LYS 24 CO 0.03 -0.18 0.22 0.82 -3.45 0.00 0.00 179.45 176.89 1s6u h ILE 25 N -0.28 1.25 -1.02 2.00 1.08 -0.64 -1.74 117.51 118.15 1s6u h ILE 25 Ca -0.01 -0.84 0.26 0.00 -0.39 0.00 0.00 64.86 63.89 1s6u h ILE 25 Cb 0.25 0.54 -0.12 0.00 -3.07 0.00 0.00 36.82 34.43 1s6u h ILE 25 CO -0.01 0.32 0.62 1.23 -0.69 0.00 0.00 178.15 179.63 1s6u h GLY 26 N 0.95 1.73 2.00 5.37 0.00 -0.26 0.23 103.07 113.09 1s6u h GLY 26 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1s6u h GLY 26 CO -0.01 -0.24 -0.07 1.70 0.00 0.00 0.00 176.54 177.93 1s6u h LYS 27 N 0.50 0.00 -6.52 4.80 3.64 -0.24 -3.45 116.57 115.30 1s6u h LYS 27 Ca 0.64 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.49 1s6u h LYS 27 Cb 1.36 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1s6u h LYS 27 CO -0.44 0.07 0.68 -0.51 -2.27 0.00 0.00 179.45 176.98 1s6u s LEU 28 N -7.44 4.37 -0.93 5.20 1.43 0.07 -4.92 118.68 116.46 1s6u s LEU 28 Ca -0.04 2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 55.03 1s6u s LEU 28 Cb 0.14 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 1s6u s LEU 28 CO 0.57 -0.60 2.08 0.00 0.23 0.00 0.00 176.35 178.63 1s6u s GLN 29 N 1.14 2.17 0.00 1.70 -2.07 -1.26 -2.36 119.66 118.98 1s6u s GLN 29 Ca 0.63 -0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.95 1s6u s GLN 29 Cb -0.34 -5.01 0.00 0.00 -1.09 0.00 0.00 33.01 26.57 1s6u s GLN 29 CO 0.30 -3.93 0.00 0.41 -1.32 0.00 0.00 175.29 170.75 1s6u n GLY 30 N 6.64 0.50 3.83 2.60 0.00 -1.26 -4.36 105.19 113.14 1s6u n GLY 30 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 4.43 -0.06 1.61 1.01 -0.99 -0.93 120.40 125.47 1s6u s VAL 31 Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 1s6u s VAL 31 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1s6u s VAL 31 CO 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 175.10 174.54 1s6u n GLN 32 N -0.93 0.20 -4.08 2.72 1.13 0.09 -4.87 117.38 111.63 1s6u n GLN 32 Ca 0.07 0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 1s6u n GLN 32 Cb 0.54 -0.84 -0.09 0.00 0.11 0.00 0.00 30.24 29.96 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 -2.23 1.05 -0.25 -1.09 6.06 -0.53 -5.04 118.95 116.91 1s6u s ARG 33 Ca -0.12 -1.35 -0.23 0.00 -2.50 0.00 0.00 55.73 51.52 1s6u s ARG 33 Cb 0.04 0.30 0.07 0.00 0.06 0.00 0.00 34.95 35.41 1s6u s ARG 33 CO 0.16 -0.34 0.68 -1.50 -2.50 0.00 0.00 175.30 171.80 1s6u s ILE 34 N -4.03 -0.00 -0.39 4.11 2.07 -1.26 -0.10 121.20 121.61 1s6u s ILE 34 Ca 0.23 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 1s6u s ILE 34 Cb 0.06 -0.94 0.16 0.00 0.13 0.00 0.00 42.46 41.86 1s6u s ILE 34 CO 0.02 0.00 0.31 -0.54 -1.91 0.00 0.00 174.94 172.82 1s6u s LYS 35 N 0.43 0.75 -0.48 3.50 -0.14 0.52 -4.97 119.74 119.35 1s6u s LYS 35 Ca -0.01 -1.66 -0.18 0.00 -1.36 0.00 0.00 55.97 52.77 1s6u s LYS 35 Cb -0.05 -1.25 0.05 0.00 -1.68 0.00 0.00 37.83 34.91 1s6u s LYS 35 CO -0.00 -1.30 0.52 0.08 -0.76 0.00 0.00 175.35 173.88 1s6u s VAL 36 N 0.60 5.02 0.29 3.17 1.01 -1.26 -0.72 120.40 128.52 1s6u s VAL 36 Ca 0.26 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1s6u s VAL 36 Cb -0.08 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1s6u s VAL 36 CO -0.10 -0.66 0.55 -0.44 0.00 0.00 0.00 175.10 174.45 1s6u s SER 37 N 2.48 6.43 -0.20 3.32 0.01 0.62 -4.88 113.70 121.48 1s6u s SER 37 Ca 0.11 0.69 -0.08 0.00 1.31 0.00 0.00 55.95 57.98 1s6u s SER 37 Cb -0.20 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 1s6u s SER 37 CO 0.11 -0.20 -0.24 0.00 0.41 0.00 0.00 173.24 173.31 1s6u n LEU 38 N -1.01 1.80 0.01 2.44 -0.00 -1.26 -3.29 117.00 115.69 1s6u n LEU 38 Ca -0.02 0.17 -0.15 0.00 -0.00 0.00 0.00 56.01 56.01 1s6u n LEU 38 Cb 0.54 -0.62 -0.10 0.00 -0.00 0.00 0.00 43.42 43.24 1s6u n LEU 38 CO 0.48 0.52 0.51 0.44 -0.00 0.00 0.00 177.39 179.34 1s6u h ASP 39 N -0.57 -1.70 -0.42 1.45 5.19 -1.94 -0.15 116.42 118.28 1s6u h ASP 39 Ca -0.50 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1s6u h ASP 39 Cb 1.51 0.66 0.00 0.00 0.18 0.00 0.00 39.33 41.67 1s6u h ASP 39 CO -0.26 -0.50 0.00 -3.20 -3.12 0.00 0.00 179.24 172.16 1s6u n ASN 40 N -5.42 4.39 -3.94 6.45 2.85 -1.26 -4.92 115.26 113.41 1s6u n ASN 40 Ca -0.07 -2.65 -0.25 0.00 -0.11 0.00 0.00 54.58 51.51 1s6u n ASN 40 Cb 0.38 -0.63 -0.08 0.00 1.24 0.00 0.00 39.78 40.70 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 0.48 -0.94 -4.43 1.20 10.64 -0.07 -4.91 117.38 119.35 1s6u n GLN 41 Ca 0.20 0.07 -0.27 0.00 -1.83 0.00 0.00 57.00 55.17 1s6u n GLN 41 Cb 0.92 -2.88 -0.17 0.00 -0.86 0.00 0.00 30.24 27.25 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1s6u s GLU 42 N -6.45 1.96 -0.27 2.61 2.56 -1.21 -0.84 118.70 117.06 1s6u s GLU 42 Ca 0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 54.97 54.52 1s6u s GLU 42 Cb -0.02 -1.69 0.03 0.00 2.00 0.00 0.00 34.13 34.45 1s6u s GLU 42 CO 0.79 -0.06 -0.04 0.00 -0.56 0.00 0.00 175.26 175.39 1s6u s ALA 43 N 0.98 2.74 -0.19 6.30 0.00 0.68 -0.27 121.76 132.00 1s6u s ALA 43 Ca -0.08 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 1s6u s ALA 43 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1s6u s ALA 43 CO -0.01 -0.98 0.51 0.99 0.00 0.00 0.00 175.76 176.27 1s6u s THR 44 N 1.30 5.12 -0.07 0.00 2.01 0.10 -0.95 115.64 123.14 1s6u s THR 44 Ca -0.02 0.95 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1s6u s THR 44 Cb -0.18 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1s6u s THR 44 CO -0.03 0.20 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.27 1s6u s ILE 45 N 1.51 1.63 -0.29 1.82 1.09 -0.50 -0.35 121.20 126.10 1s6u s ILE 45 Ca 0.24 -0.80 0.03 0.00 -1.10 0.00 0.00 60.65 59.02 1s6u s ILE 45 Cb -0.15 -1.41 0.07 0.00 -1.06 0.00 0.00 42.46 39.91 1s6u s ILE 45 CO 0.10 0.46 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.66 1s6u s VAL 46 N 0.23 2.32 0.06 2.92 1.01 0.86 -0.73 120.40 127.08 1s6u s VAL 46 Ca -0.10 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.06 1s6u s VAL 46 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1s6u s VAL 46 CO 0.05 -0.21 -0.04 -0.72 0.00 0.00 0.00 175.10 174.18 1s6u s TYR 47 N 1.06 0.63 -0.38 5.22 1.13 -0.56 -0.73 117.35 123.73 1s6u s TYR 47 Ca -0.03 -1.02 -0.28 0.00 -1.41 0.00 0.00 57.07 54.33 1s6u s TYR 47 Cb -0.20 -0.43 0.02 0.00 -1.10 0.00 0.00 41.96 40.25 1s6u s TYR 47 CO -0.05 -0.31 1.03 -1.14 -2.51 0.00 0.00 175.55 172.56 1s6u s GLN 48 N -3.89 3.89 -1.23 -3.49 0.74 -0.11 -1.79 119.66 113.79 1s6u s GLN 48 Ca 0.08 0.75 -0.18 0.00 0.05 0.00 0.00 55.36 56.06 1s6u s GLN 48 Cb 0.07 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.37 1s6u s GLN 48 CO -0.08 -1.03 1.97 -0.35 -0.55 0.00 0.00 175.29 175.25 1s6u n PRO 49 N 7.05 2.49 0.00 1.67 -0.04 -1.26 -2.54 135.00 142.36 1s6u n PRO 49 Ca 0.10 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1s6u n PRO 49 Cb 0.48 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 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 8.38 -0.71 -0.08 0.54 8.25 -1.26 -4.99 115.22 125.35 1s6u n HIS 50 Ca 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1s6u n HIS 50 Cb 0.43 0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 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 0.64 -8.83 2.41 3.38 -1.81 -3.46 115.31 107.64 1s6u h LEU 51 Ca 0.00 -0.49 -0.33 0.00 0.09 0.00 0.00 57.88 57.15 1s6u h LEU 51 Cb 0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.42 1s6u h LEU 51 CO 0.00 1.00 -0.62 -0.51 0.09 0.00 0.00 178.44 178.41 1s6u s ILE 52 N -4.27 0.49 0.15 1.22 1.10 -1.24 -4.84 121.20 113.80 1s6u s ILE 52 Ca -0.13 -2.00 -0.04 0.00 -0.51 0.00 0.00 60.65 57.98 1s6u s ILE 52 Cb 0.07 -2.58 -0.03 0.00 0.15 0.00 0.00 42.46 40.07 1s6u s ILE 52 CO 0.81 -0.04 0.14 -0.94 -2.11 0.00 0.00 174.94 172.80 1s6u s SER 53 N -3.28 0.21 0.29 4.50 1.04 -1.26 -4.60 113.70 110.60 1s6u s SER 53 Ca 0.37 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1s6u s SER 53 Cb 0.08 0.35 0.73 0.00 0.10 0.00 0.00 66.02 67.28 1s6u s SER 53 CO 0.13 -0.79 1.62 0.58 0.98 0.00 0.00 173.24 175.75 1s6u h VAL 54 N 2.74 0.22 0.47 5.02 2.07 -2.00 -1.78 116.25 123.00 1s6u h VAL 54 Ca -0.34 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1s6u h VAL 54 Cb 1.21 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1s6u h VAL 54 CO 0.55 0.02 -0.36 -0.08 0.02 0.00 0.00 177.57 177.73 1s6u h GLU 55 N 0.13 -0.79 -0.44 1.57 4.81 -1.98 -0.17 114.58 117.70 1s6u h GLU 55 Ca 0.57 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.93 1s6u h GLU 55 Cb 1.17 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 1s6u h GLU 55 CO -0.73 -0.52 0.05 0.93 -0.73 0.00 0.00 179.01 178.00 1s6u h GLU 56 N -0.82 0.16 -0.27 1.92 4.39 -1.75 0.60 114.58 118.82 1s6u h GLU 56 Ca -0.05 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1s6u h GLU 56 Cb 0.70 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 1s6u h GLU 56 CO 0.01 0.11 -0.46 0.52 -1.16 0.00 0.00 179.01 178.03 1s6u h MET 57 N 0.17 -0.36 0.99 2.33 2.86 -1.25 0.85 114.93 120.52 1s6u h MET 57 Ca 0.22 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1s6u h MET 57 Cb 0.30 0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.06 1s6u h MET 57 CO -0.33 -0.24 -0.48 -0.22 1.06 0.00 0.00 176.91 176.71 1s6u h LYS 58 N -0.38 -1.28 -0.89 1.72 3.64 0.74 0.11 116.57 120.23 1s6u h LYS 58 Ca 0.05 0.09 0.13 0.00 -1.27 0.00 0.00 60.65 59.65 1s6u h LYS 58 Cb 0.51 0.29 -0.14 0.00 -0.41 0.00 0.00 32.23 32.48 1s6u h LYS 58 CO -0.45 -0.86 -0.37 1.17 -2.27 0.00 0.00 179.45 176.68 1s6u n LYS 59 N -5.66 -0.23 -0.07 1.90 3.00 0.19 0.86 118.16 118.16 1s6u n LYS 59 Ca -0.17 1.37 -0.11 0.00 -0.00 0.00 0.00 58.31 59.40 1s6u n LYS 59 Cb 0.53 -2.03 -0.04 0.00 0.00 0.00 0.00 35.03 33.48 1s6u n LYS 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1s6u h GLN 60 N 0.00 0.36 0.35 1.64 1.08 -0.64 -0.62 115.11 117.28 1s6u h GLN 60 Ca 0.29 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1s6u h GLN 60 Cb 0.51 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1s6u h GLN 60 CO -0.88 0.48 -0.17 0.82 -0.95 0.00 0.00 178.83 178.13 1s6u h ILE 61 N 0.18 0.00 -0.99 2.54 2.04 0.19 -3.15 117.51 118.31 1s6u h ILE 61 Ca 0.07 -0.23 0.25 0.00 1.00 0.00 0.00 64.86 65.95 1s6u h ILE 61 Cb 0.28 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1s6u h ILE 61 CO 0.00 0.00 0.66 -0.33 0.00 0.00 0.00 178.15 178.48 1s6u h GLU 62 N -0.71 0.31 -0.63 2.37 5.08 0.38 0.72 114.58 122.11 1s6u h GLU 62 Ca -0.05 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1s6u h GLU 62 Cb 0.36 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1s6u h GLU 62 CO 0.08 0.21 0.42 0.00 -1.00 0.00 0.00 179.01 178.72 1s6u h ALA 63 N 1.59 2.04 -1.00 3.43 0.00 -1.07 0.80 119.26 125.05 1s6u h ALA 63 Ca 0.53 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.46 1s6u h ALA 63 Cb 1.49 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1s6u h ALA 63 CO -0.20 -0.18 0.65 0.52 0.00 0.00 0.00 179.25 180.04 1s6u h MET 64 N 0.41 1.25 0.00 0.00 2.86 -0.81 -3.47 114.93 115.17 1s6u h MET 64 Ca 0.29 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1s6u h MET 64 Cb 0.60 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1s6u h MET 64 CO -0.08 0.83 0.00 0.41 1.06 0.00 0.00 176.91 179.12 1s6u n GLY 65 N -1.37 1.19 3.62 8.32 0.00 0.27 -5.11 105.19 112.11 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 -0.30 2.49 0.36 1.61 0.08 -1.25 -4.96 117.98 116.00 1s6u s PHE 66 Ca 0.00 0.75 -0.28 0.00 0.12 0.00 0.00 56.93 57.52 1s6u s PHE 66 Cb 0.00 -4.08 -0.10 0.00 -0.57 0.00 0.00 43.02 38.28 1s6u s PHE 66 CO 0.00 -1.99 1.31 -1.25 -0.10 0.00 0.00 175.22 173.20 1s6u s PRO 67 N 4.55 4.19 -0.01 0.24 0.04 -1.26 -3.76 135.00 138.99 1s6u s PRO 67 Ca 0.60 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1s6u s PRO 67 Cb -0.17 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.45 1s6u s PRO 67 CO 0.28 -0.32 -0.00 0.00 0.04 0.00 0.00 177.00 176.99 1s6u s ALA 68 N -1.19 0.19 -0.91 8.56 0.00 -1.26 -3.51 121.76 123.64 1s6u s ALA 68 Ca 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1s6u s ALA 68 Cb -0.39 -0.16 0.27 0.00 0.00 0.00 0.00 23.12 22.84 1s6u s ALA 68 CO 0.52 -0.02 1.10 1.19 0.00 0.00 0.00 175.76 178.55 1s6u n PHE 69 N 3.58 3.24 -1.61 0.00 3.01 0.66 -4.86 117.46 121.47 1s6u n PHE 69 Ca -0.20 -3.44 -0.39 0.00 1.01 0.00 0.00 57.45 54.44 1s6u n PHE 69 Cb 0.55 -1.05 -0.03 0.00 -0.01 0.00 0.00 39.48 38.94 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 -2.34 3.04 -0.42 -4.37 0.11 -1.26 -2.44 120.40 112.71 1s6u s VAL 70 Ca 0.33 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1s6u s VAL 70 Cb 0.05 -3.08 0.35 0.00 -1.53 0.00 0.00 36.38 32.18 1s6u s VAL 70 CO 0.01 -0.06 1.13 2.29 -3.33 0.00 0.00 175.10 175.14 1s6u n LYS 71 N 8.92 1.07 -3.60 1.54 2.85 -1.00 -4.98 118.16 122.96 1s6u n LYS 71 Ca 0.33 -2.17 -0.11 0.00 -1.05 0.00 0.00 58.31 55.31 1s6u n LYS 71 Cb 0.51 -0.85 -0.03 0.00 -0.65 0.00 0.00 35.03 34.01 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 -0.32 1.29 -0.47 -1.58 -0.14 -1.22 -4.93 119.74 112.37 1s6u s LYS 72 Ca 0.25 -0.68 0.06 0.00 -1.36 0.00 0.00 55.97 54.24 1s6u s LYS 72 Cb 0.34 0.54 0.24 0.00 -1.68 0.00 0.00 37.83 37.27 1s6u s LYS 72 CO -0.06 -0.55 0.80 1.51 -0.76 0.00 0.00 175.35 176.29 1s6u n ILE 73 N -0.34 -0.16 -1.75 2.17 3.06 -1.26 -3.96 119.36 117.13 1s6u n ILE 73 Ca -0.14 -2.01 -0.29 0.00 -2.50 0.00 0.00 62.75 57.82 1s6u n ILE 73 Cb 0.63 0.73 0.10 0.00 0.54 0.00 0.00 39.64 41.64 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1s6u s GLU 74 N 0.32 1.82 -0.21 9.51 8.01 0.04 -4.92 118.70 133.28 1s6u s GLU 74 Ca 0.33 0.26 -0.11 0.00 0.01 0.00 0.00 54.97 55.46 1s6u s GLU 74 Cb 0.20 -1.92 0.07 0.00 -4.31 0.00 0.00 34.13 28.17 1s6u s GLU 74 CO -0.21 -1.72 0.50 0.20 0.01 0.00 0.00 175.26 174.04 1s6u s GLY 75 N -4.31 -0.44 0.00 -1.39 0.00 -1.26 -2.71 107.32 97.21 1s6u s GLY 75 Ca 0.62 1.81 0.00 0.00 0.00 0.00 0.00 44.72 47.15 1s6u s GLY 75 CO 0.51 2.06 0.00 -2.13 0.00 0.00 0.00 173.10 173.55