#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 -2.14 -4.84 1.61 -0.00 -1.26 -4.66 120.64 109.35 1s6u n GLU 2 Ca 0.00 -0.61 -0.26 0.00 -0.00 0.00 0.00 57.16 56.28 1s6u n GLU 2 Cb 0.00 -1.74 -0.15 0.00 -0.00 0.00 0.00 31.44 29.55 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1s6u s VAL 3 N -2.22 1.65 -0.17 3.84 -7.23 0.50 -4.73 120.40 112.04 1s6u s VAL 3 Ca 0.56 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 59.59 1s6u s VAL 3 Cb -0.13 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1s6u s VAL 3 CO 0.61 0.34 0.16 -0.69 -0.31 0.00 0.00 175.10 175.21 1s6u s VAL 4 N -0.63 5.41 -0.14 1.32 1.01 0.73 -0.99 120.40 127.10 1s6u s VAL 4 Ca 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1s6u s VAL 4 Cb -0.08 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1s6u s VAL 4 CO 0.00 0.48 -0.10 -0.22 0.00 0.00 0.00 175.10 175.26 1s6u s LEU 5 N 0.02 2.87 -0.13 3.92 1.98 0.15 -1.45 118.68 126.04 1s6u s LEU 5 Ca 0.11 -0.27 0.02 0.00 -2.89 0.00 0.00 54.13 51.10 1s6u s LEU 5 Cb -0.12 -1.66 -0.00 0.00 0.66 0.00 0.00 46.19 45.07 1s6u s LEU 5 CO 0.01 0.16 -0.19 -0.75 -1.89 0.00 0.00 176.35 173.68 1s6u s LYS 6 N 0.40 3.14 -0.02 1.98 2.47 -1.24 -0.62 119.74 125.84 1s6u s LYS 6 Ca -0.08 -0.80 -0.00 0.00 -1.56 0.00 0.00 55.97 53.52 1s6u s LYS 6 Cb -0.15 -2.49 0.03 0.00 -1.46 0.00 0.00 37.83 33.76 1s6u s LYS 6 CO 0.05 0.08 0.02 0.00 0.16 0.00 0.00 175.35 175.66 1s6u s MET 7 N 0.62 0.05 0.16 4.03 0.23 -0.06 -1.79 119.30 122.53 1s6u s MET 7 Ca -0.10 0.17 -0.30 0.00 -1.03 0.00 0.00 55.69 54.43 1s6u s MET 7 Cb -0.16 -0.33 -0.08 0.00 -1.53 0.00 0.00 34.83 32.74 1s6u s MET 7 CO 0.03 -0.17 1.20 0.15 -2.03 0.00 0.00 175.02 174.19 1s6u s LYS 8 N 1.13 4.48 0.13 3.16 3.01 -0.43 -0.36 119.74 130.87 1s6u s LYS 8 Ca -0.08 1.85 0.10 0.00 -1.01 0.00 0.00 55.97 56.83 1s6u s LYS 8 Cb -0.13 -3.26 -0.04 0.00 -1.01 0.00 0.00 37.83 33.38 1s6u s LYS 8 CO -0.03 -0.13 -0.24 0.14 0.51 0.00 0.00 175.35 175.61 1s6u s VAL 9 N 0.21 2.45 0.14 3.17 -7.23 -0.10 -0.31 120.40 118.71 1s6u s VAL 9 Ca 0.54 -1.72 0.09 0.00 -1.81 0.00 0.00 61.98 59.09 1s6u s VAL 9 Cb -0.32 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1s6u s VAL 9 CO 0.35 0.07 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.43 1s6u s GLU 10 N -2.16 1.82 0.00 4.82 0.41 -1.18 -4.45 118.70 117.96 1s6u s GLU 10 Ca 0.16 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.50 1s6u s GLU 10 Cb -0.10 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1s6u s GLU 10 CO 0.08 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 1s6u n GLY 11 N 0.60 2.40 3.56 -1.39 0.00 -1.26 -4.63 105.19 104.45 1s6u n GLY 11 Ca -0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 2.33 -0.44 1.61 -1.94 -1.26 -4.82 119.30 114.78 1s6u s MET 12 Ca 0.00 0.39 0.08 0.00 -1.71 0.00 0.00 55.69 54.46 1s6u s MET 12 Cb 0.00 -4.73 0.40 0.00 2.01 0.00 0.00 34.83 32.51 1s6u s MET 12 CO 0.00 -3.36 1.00 0.25 -0.01 0.00 0.00 175.02 172.90 1s6u n THR 13 N 7.86 1.99 -3.81 2.05 -2.24 -1.26 -4.71 114.28 114.15 1s6u n THR 13 Ca 0.35 -4.66 -0.09 0.00 -2.27 0.00 0.00 64.05 57.38 1s6u n THR 13 Cb 0.49 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.40 0.00 0.00 0.00 1.44 -1.26 -4.25 115.22 110.74 1s6u n HIS 15 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1s6u n HIS 15 Cb 0.61 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1s6u n HIS 15 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1s6u n SER 16 N -1.10 0.00 -0.24 4.39 2.88 -1.26 -2.97 113.62 115.32 1s6u n SER 16 Ca 0.13 0.25 0.04 0.00 -1.33 0.00 0.00 58.87 57.95 1s6u n SER 16 Cb 0.29 -0.26 0.16 0.00 -0.75 0.00 0.00 64.21 63.65 1s6u n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6u h THR 18 N 0.37 0.00 -0.59 0.00 1.35 -1.77 0.18 112.91 112.45 1s6u h THR 18 Ca 0.38 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.32 1s6u h THR 18 Cb 0.58 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.94 1s6u h THR 18 CO -0.41 0.00 0.26 -1.28 -0.25 0.00 0.00 175.52 173.84 1s6u h SER 19 N -0.40 0.33 -0.39 5.36 0.87 -1.19 0.55 113.55 118.67 1s6u h SER 19 Ca 0.01 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1s6u h SER 19 Cb 0.44 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1s6u h SER 19 CO -0.24 0.21 0.08 0.74 -0.53 0.00 0.00 176.83 177.09 1s6u h THR 20 N 0.49 0.81 0.08 2.23 2.02 -0.34 0.14 112.91 118.34 1s6u h THR 20 Ca 0.28 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1s6u h THR 20 Cb 0.28 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1s6u h THR 20 CO -0.24 0.04 -0.04 0.40 0.37 0.00 0.00 175.52 176.05 1s6u h ILE 21 N 0.22 0.96 -0.65 3.11 2.04 -0.04 0.12 117.51 123.27 1s6u h ILE 21 Ca 0.19 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 66.03 1s6u h ILE 21 Cb 0.22 1.05 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 1s6u h ILE 21 CO -0.24 0.03 -0.30 -0.33 0.00 0.00 0.00 178.15 177.31 1s6u h GLU 22 N -0.18 -0.11 0.79 2.37 5.08 -0.38 0.70 114.58 122.85 1s6u h GLU 22 Ca -0.01 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1s6u h GLU 22 Cb 0.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1s6u h GLU 22 CO 0.02 -0.07 -0.41 0.78 -1.00 0.00 0.00 179.01 178.32 1s6u h GLY 23 N -0.11 -1.17 0.70 -3.84 0.00 -0.50 0.99 103.07 99.13 1s6u h GLY 23 Ca 0.27 0.45 0.04 0.00 0.00 0.00 0.00 47.33 48.09 1s6u h GLY 23 CO -0.71 -0.42 0.09 1.70 0.00 0.00 0.00 176.54 177.19 1s6u h LYS 24 N -1.10 0.20 -0.26 4.80 1.63 -0.05 0.62 116.57 122.41 1s6u h LYS 24 Ca -0.11 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.54 1s6u h LYS 24 Cb 0.86 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1s6u h LYS 24 CO 0.15 0.13 -0.39 0.82 -3.45 0.00 0.00 179.45 176.72 1s6u h ILE 25 N 0.21 1.30 -1.02 2.00 1.08 -0.97 -2.86 117.51 117.25 1s6u h ILE 25 Ca 0.14 -1.58 0.26 0.00 -0.39 0.00 0.00 64.86 63.28 1s6u h ILE 25 Cb 0.13 1.68 -0.08 0.00 -3.07 0.00 0.00 36.82 35.48 1s6u h ILE 25 CO -0.16 0.50 0.67 1.23 -0.69 0.00 0.00 178.15 179.70 1s6u h GLY 26 N 0.46 1.01 2.00 5.37 0.00 -0.04 0.16 103.07 112.02 1s6u h GLY 26 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1s6u h GLY 26 CO 0.09 -0.09 0.00 1.70 0.00 0.00 0.00 176.54 178.24 1s6u h LYS 27 N 0.36 0.00 -6.55 4.80 3.64 -0.66 -3.45 116.57 114.71 1s6u h LYS 27 Ca 0.56 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.42 1s6u h LYS 27 Cb 1.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1s6u h LYS 27 CO -0.24 0.00 0.14 -0.51 -2.27 0.00 0.00 179.45 176.57 1s6u s LEU 28 N -5.53 4.45 -0.64 5.20 1.43 0.04 -5.00 118.68 118.63 1s6u s LEU 28 Ca -0.02 1.52 -0.27 0.00 -1.03 0.00 0.00 54.13 54.33 1s6u s LEU 28 Cb 0.10 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1s6u s LEU 28 CO 0.38 0.11 1.55 0.00 0.23 0.00 0.00 176.35 178.62 1s6u s GLN 29 N -1.61 3.00 0.00 1.70 -2.07 -1.26 -3.46 119.66 115.96 1s6u s GLN 29 Ca 0.40 0.29 0.00 0.00 -1.82 0.00 0.00 55.36 54.23 1s6u s GLN 29 Cb -0.19 -4.25 0.00 0.00 -1.09 0.00 0.00 33.01 27.48 1s6u s GLN 29 CO 0.23 -2.32 0.00 0.41 -1.32 0.00 0.00 175.29 172.29 1s6u n GLY 30 N 5.48 0.68 3.74 2.60 0.00 -1.26 -4.44 105.19 111.98 1s6u n GLY 30 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.96 -0.17 1.61 1.01 -1.22 -0.67 120.40 125.92 1s6u s VAL 31 Ca 0.00 1.32 0.16 0.00 0.00 0.00 0.00 61.98 63.46 1s6u s VAL 31 Cb 0.00 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.18 1s6u s VAL 31 CO 0.00 0.35 0.08 0.00 0.00 0.00 0.00 175.10 175.52 1s6u n GLN 32 N 3.18 1.09 -3.78 2.72 10.64 -0.04 -4.95 117.38 126.24 1s6u n GLN 32 Ca -0.05 -0.02 -0.10 0.00 -1.83 0.00 0.00 57.00 55.01 1s6u n GLN 32 Cb 0.51 -1.45 -0.04 0.00 -0.86 0.00 0.00 30.24 28.39 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1s6u s ARG 33 N -2.47 1.33 -0.14 2.61 3.52 -0.40 -5.05 118.95 118.35 1s6u s ARG 33 Ca -0.09 -0.92 -0.25 0.00 -0.13 0.00 0.00 55.73 54.35 1s6u s ARG 33 Cb 0.06 0.49 0.06 0.00 -1.56 0.00 0.00 34.95 34.00 1s6u s ARG 33 CO 0.73 -0.55 0.63 -1.50 -0.81 0.00 0.00 175.30 173.79 1s6u s ILE 34 N -3.89 0.01 -0.07 4.11 2.07 -1.26 -0.15 121.20 122.01 1s6u s ILE 34 Ca 0.10 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1s6u s ILE 34 Cb -0.00 -0.91 0.03 0.00 0.13 0.00 0.00 42.46 41.71 1s6u s ILE 34 CO -0.03 -0.03 0.16 -0.54 -1.91 0.00 0.00 174.94 172.60 1s6u s LYS 35 N -0.43 0.13 -0.04 3.50 -0.14 0.50 -4.95 119.74 118.31 1s6u s LYS 35 Ca -0.06 0.36 0.05 0.00 -1.36 0.00 0.00 55.97 54.96 1s6u s LYS 35 Cb -0.03 -0.11 -0.01 0.00 -1.68 0.00 0.00 37.83 36.01 1s6u s LYS 35 CO 0.05 -0.13 -0.18 0.08 -0.76 0.00 0.00 175.35 174.41 1s6u s VAL 36 N 0.93 1.46 -0.13 3.17 1.01 -1.26 0.44 120.40 126.00 1s6u s VAL 36 Ca -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1s6u s VAL 36 Cb -0.09 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1s6u s VAL 36 CO -0.05 0.42 -0.19 -0.44 0.00 0.00 0.00 175.10 174.84 1s6u s SER 37 N -0.09 2.85 -0.12 3.32 0.01 0.42 -5.01 113.70 115.08 1s6u s SER 37 Ca -0.01 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.46 1s6u s SER 37 Cb -0.10 -1.31 -0.22 0.00 0.21 0.00 0.00 66.02 64.59 1s6u s SER 37 CO 0.01 0.04 0.73 0.25 0.41 0.00 0.00 173.24 174.68 1s6u h LEU 38 N 7.46 -0.01 -0.22 2.44 5.85 -1.84 -0.34 115.31 128.65 1s6u h LEU 38 Ca -0.33 -0.83 0.06 0.00 0.84 0.00 0.00 57.88 57.61 1s6u h LEU 38 Cb 1.18 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 1s6u h LEU 38 CO 0.54 0.89 -0.23 0.44 -0.34 0.00 0.00 178.44 179.73 1s6u h ASP 39 N -0.96 -0.74 -0.09 1.25 5.19 -1.96 0.19 116.42 119.30 1s6u h ASP 39 Ca -0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1s6u h ASP 39 Cb 0.84 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1s6u h ASP 39 CO 0.00 -0.27 0.00 -3.20 -3.12 0.00 0.00 179.24 172.65 1s6u n ASN 40 N -5.37 0.96 -4.03 6.45 2.85 -1.26 -4.95 115.26 109.92 1s6u n ASN 40 Ca -0.01 -1.58 -0.42 0.00 -0.11 0.00 0.00 54.58 52.46 1s6u n ASN 40 Cb 0.28 -0.06 0.02 0.00 1.24 0.00 0.00 39.78 41.26 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1s6u n GLN 41 N -0.15 -0.42 -3.83 1.20 7.27 0.66 -4.90 117.38 117.21 1s6u n GLN 41 Ca 0.15 0.12 -0.13 0.00 0.07 0.00 0.00 57.00 57.22 1s6u n GLN 41 Cb 0.22 -2.21 -0.14 0.00 2.41 0.00 0.00 30.24 30.52 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 -6.98 0.07 0.05 3.69 2.12 -0.15 -0.93 118.70 116.57 1s6u s GLU 42 Ca 0.40 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.89 1s6u s GLU 42 Cb -0.22 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1s6u s GLU 42 CO 0.91 -0.04 0.02 0.00 -0.54 0.00 0.00 175.26 175.61 1s6u s ALA 43 N 0.24 3.35 -0.13 6.30 0.00 0.52 -0.44 121.76 131.60 1s6u s ALA 43 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1s6u s ALA 43 Cb -0.03 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1s6u s ALA 43 CO -0.01 0.69 -0.20 0.99 0.00 0.00 0.00 175.76 177.23 1s6u s THR 44 N -1.24 1.88 -0.14 0.00 2.01 0.17 -0.88 115.64 117.43 1s6u s THR 44 Ca 0.24 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1s6u s THR 44 Cb -0.12 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1s6u s THR 44 CO 0.16 0.52 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.86 1s6u s ILE 45 N 0.84 1.36 -0.50 1.82 -1.09 0.21 -0.37 121.20 123.47 1s6u s ILE 45 Ca -0.08 -0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1s6u s ILE 45 Cb -0.15 -1.32 0.13 0.00 -1.58 0.00 0.00 42.46 39.53 1s6u s ILE 45 CO -0.01 0.41 0.31 -0.69 -1.23 0.00 0.00 174.94 173.73 1s6u s VAL 46 N 1.57 3.60 0.36 2.92 1.01 0.78 -0.68 120.40 129.96 1s6u s VAL 46 Ca 0.05 -2.33 0.07 0.00 0.00 0.00 0.00 61.98 59.77 1s6u s VAL 46 Cb -0.13 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1s6u s VAL 46 CO -0.10 -0.77 -0.01 -0.72 0.00 0.00 0.00 175.10 173.51 1s6u s TYR 47 N 0.75 2.30 -0.34 5.22 -0.85 -0.17 -0.86 117.35 123.40 1s6u s TYR 47 Ca 0.11 -0.71 -0.15 0.00 -0.52 0.00 0.00 57.07 55.79 1s6u s TYR 47 Cb -0.22 -1.51 -0.01 0.00 0.38 0.00 0.00 41.96 40.60 1s6u s TYR 47 CO -0.04 0.35 0.37 -1.14 -1.52 0.00 0.00 175.55 173.57 1s6u s GLN 48 N -3.74 3.57 -1.07 -3.49 -0.44 0.16 -0.37 119.66 114.27 1s6u s GLN 48 Ca 0.34 -0.41 -0.20 0.00 -2.50 0.00 0.00 55.36 52.60 1s6u s GLN 48 Cb 0.08 -3.80 -0.07 0.00 -1.64 0.00 0.00 33.01 27.57 1s6u s GLN 48 CO 0.16 -0.53 1.99 -0.35 0.50 0.00 0.00 175.29 177.07 1s6u n PRO 49 N 5.40 2.04 0.00 1.67 -0.04 -1.26 -2.70 135.00 140.11 1s6u n PRO 49 Ca -0.09 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1s6u n PRO 49 Cb 0.49 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 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 8.14 -0.50 -0.02 0.54 -0.00 -1.26 -4.98 115.22 117.14 1s6u n HIS 50 Ca 0.50 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.55 1s6u n HIS 50 Cb 0.41 0.10 -0.08 0.00 -0.12 0.00 0.00 29.99 30.30 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1s6u h LEU 51 N 0.00 0.11 -8.92 0.27 3.38 -1.85 -3.47 115.31 104.83 1s6u h LEU 51 Ca 0.00 -0.36 -0.45 0.00 0.09 0.00 0.00 57.88 57.16 1s6u h LEU 51 Cb 0.00 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 1s6u h LEU 51 CO 0.00 0.45 -0.51 -0.51 0.09 0.00 0.00 178.44 177.96 1s6u s ILE 52 N -4.75 0.07 0.06 1.22 1.10 -1.22 -4.89 121.20 112.79 1s6u s ILE 52 Ca -0.15 -2.00 -0.03 0.00 -0.51 0.00 0.00 60.65 57.97 1s6u s ILE 52 Cb 0.04 -2.48 -0.03 0.00 0.15 0.00 0.00 42.46 40.13 1s6u s ILE 52 CO 0.69 0.00 0.02 -0.94 -2.11 0.00 0.00 174.94 172.60 1s6u s SER 53 N -3.37 0.41 0.28 4.50 1.04 -1.26 -4.58 113.70 110.71 1s6u s SER 53 Ca 0.39 -0.93 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 1s6u s SER 53 Cb 0.03 0.23 0.46 0.00 0.10 0.00 0.00 66.02 66.84 1s6u s SER 53 CO 0.24 -0.63 1.56 0.58 0.98 0.00 0.00 173.24 175.97 1s6u h VAL 54 N 3.06 0.01 0.12 5.02 2.07 -1.99 -2.24 116.25 122.30 1s6u h VAL 54 Ca -0.34 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1s6u h VAL 54 Cb 1.15 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1s6u h VAL 54 CO 0.64 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 178.03 1s6u h GLU 55 N 0.00 -0.26 -0.57 1.57 4.22 -1.99 -0.14 114.58 117.42 1s6u h GLU 55 Ca 0.48 0.02 0.11 0.00 0.08 0.00 0.00 59.36 60.04 1s6u h GLU 55 Cb 0.73 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 1s6u h GLU 55 CO -1.02 -0.17 -0.29 1.49 -2.18 0.00 0.00 179.01 176.84 1s6u h GLU 56 N -0.27 -0.13 0.03 1.92 4.22 -1.83 0.52 114.58 119.04 1s6u h GLU 56 Ca 0.00 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1s6u h GLU 56 Cb 0.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1s6u h GLU 56 CO -0.03 -0.09 -0.46 0.52 -2.18 0.00 0.00 179.01 176.77 1s6u h MET 57 N -0.14 -0.61 0.93 1.92 2.86 -0.94 0.12 114.93 119.06 1s6u h MET 57 Ca 0.24 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1s6u h MET 57 Cb 0.53 0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.34 1s6u h MET 57 CO -0.65 -0.41 -0.48 -0.22 1.06 0.00 0.00 176.91 176.21 1s6u h LYS 58 N -0.64 -1.24 -0.99 1.72 3.64 0.21 0.85 116.57 120.12 1s6u h LYS 58 Ca 0.03 0.08 0.33 0.00 -1.27 0.00 0.00 60.65 59.82 1s6u h LYS 58 Cb 0.69 0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 32.64 1s6u h LYS 58 CO -0.31 -0.83 0.53 -0.22 -2.27 0.00 0.00 179.45 176.35 1s6u h LYS 59 N -1.29 0.25 0.12 1.90 3.11 0.07 0.68 116.57 121.42 1s6u h LYS 59 Ca -0.13 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1s6u h LYS 59 Cb 1.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1s6u h LYS 59 CO 0.19 0.17 -0.06 1.96 -2.81 0.00 0.00 179.45 178.90 1s6u h GLN 60 N 0.26 -0.16 0.84 1.90 7.50 -0.62 -3.08 115.11 121.75 1s6u h GLN 60 Ca 0.74 0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.86 1s6u h GLN 60 Cb 1.71 0.04 0.01 0.00 0.05 0.00 0.00 27.48 29.29 1s6u h GLN 60 CO -0.64 0.32 -0.40 0.82 -1.50 0.00 0.00 178.83 177.42 1s6u h ILE 61 N -0.75 0.00 -1.14 2.54 2.04 0.20 -2.85 117.51 117.54 1s6u h ILE 61 Ca -0.02 -0.14 0.34 0.00 1.00 0.00 0.00 64.86 66.04 1s6u h ILE 61 Cb 0.54 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.51 1s6u h ILE 61 CO 0.03 0.00 0.73 -0.33 0.00 0.00 0.00 178.15 178.58 1s6u h GLU 62 N -1.26 0.26 -0.30 2.37 5.08 0.04 0.83 114.58 121.58 1s6u h GLU 62 Ca -0.11 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1s6u h GLU 62 Cb 0.86 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s6u h GLU 62 CO 0.19 0.17 0.21 0.00 -1.00 0.00 0.00 179.01 178.58 1s6u h ALA 63 N 1.63 2.14 -0.95 3.43 0.00 -1.40 0.14 119.26 124.26 1s6u h ALA 63 Ca 0.69 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.70 1s6u h ALA 63 Cb 1.94 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1s6u h ALA 63 CO -0.37 -0.22 0.61 0.52 0.00 0.00 0.00 179.25 179.79 1s6u h MET 64 N 0.11 0.92 0.00 0.00 2.86 -0.84 -3.46 114.93 114.52 1s6u h MET 64 Ca 0.14 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1s6u h MET 64 Cb 0.41 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1s6u h MET 64 CO -0.02 0.61 0.00 0.41 1.06 0.00 0.00 176.91 178.98 1s6u n GLY 65 N -1.38 1.24 3.63 8.32 0.00 0.50 -5.11 105.19 112.38 1s6u n GLY 65 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.77 2.63 0.38 1.61 0.08 -1.25 -5.00 117.98 115.66 1s6u s PHE 66 Ca 0.00 0.83 -0.27 0.00 0.12 0.00 0.00 56.93 57.61 1s6u s PHE 66 Cb 0.00 -3.97 -0.09 0.00 -0.57 0.00 0.00 43.02 38.39 1s6u s PHE 66 CO 0.00 -1.79 1.31 -1.25 -0.10 0.00 0.00 175.22 173.39 1s6u s PRO 67 N 4.28 4.10 -0.03 0.24 0.04 -1.26 -4.04 135.00 138.33 1s6u s PRO 67 Ca 0.57 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.81 1s6u s PRO 67 Cb -0.16 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1s6u s PRO 67 CO 0.25 -0.39 -0.03 0.00 0.04 0.00 0.00 177.00 176.87 1s6u s ALA 68 N -1.22 0.45 -1.16 8.56 0.00 -1.26 -3.09 121.76 124.04 1s6u s ALA 68 Ca 0.54 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1s6u s ALA 68 Cb -0.39 -0.30 0.23 0.00 0.00 0.00 0.00 23.12 22.67 1s6u s ALA 68 CO 0.50 -0.01 1.26 -0.06 0.00 0.00 0.00 175.76 177.46 1s6u s PHE 69 N 0.70 3.94 -0.35 0.00 0.08 0.57 -4.92 117.98 118.00 1s6u s PHE 69 Ca -0.08 -2.46 -0.28 0.00 0.12 0.00 0.00 56.93 54.24 1s6u s PHE 69 Cb -0.11 -4.05 -0.03 0.00 -0.57 0.00 0.00 43.02 38.26 1s6u s PHE 69 CO -0.01 -1.15 1.99 0.54 -0.10 0.00 0.00 175.22 176.50 1s6u s VAL 70 N -0.03 3.28 -0.45 -0.44 0.11 -1.26 -1.32 120.40 120.30 1s6u s VAL 70 Ca 0.36 0.26 0.07 0.00 -2.93 0.00 0.00 61.98 59.75 1s6u s VAL 70 Cb -0.07 -3.44 0.33 0.00 -1.53 0.00 0.00 36.38 31.67 1s6u s VAL 70 CO -0.04 -0.32 1.07 2.29 -3.33 0.00 0.00 175.10 174.77 1s6u n LYS 71 N 8.68 1.02 -3.62 1.54 2.85 -0.74 -4.98 118.16 122.91 1s6u n LYS 71 Ca 0.26 -2.14 -0.14 0.00 -1.05 0.00 0.00 58.31 55.24 1s6u n LYS 71 Cb 0.48 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.13 0.95 -0.49 -1.58 1.02 -1.13 -4.89 119.74 113.49 1s6u s LYS 72 Ca 0.25 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1s6u s LYS 72 Cb 0.30 0.43 0.18 0.00 -0.52 0.00 0.00 37.83 38.23 1s6u s LYS 72 CO -0.05 -0.32 0.42 -0.89 -0.92 0.00 0.00 175.35 173.58 1s6u n ILE 73 N 0.67 -0.32 -3.16 2.17 -0.00 -1.26 -3.71 119.36 113.76 1s6u n ILE 73 Ca -0.19 -3.92 -0.21 0.00 -0.00 0.00 0.00 62.75 58.43 1s6u n ILE 73 Cb 0.59 -1.83 0.06 0.00 -0.00 0.00 0.00 39.64 38.45 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 -0.56 2.23 0.00 0.38 2.02 -0.53 -4.93 118.70 117.31 1s6u s GLU 74 Ca 0.32 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1s6u s GLU 74 Cb 0.04 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1s6u s GLU 74 CO -0.17 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1s6u n GLY 75 N -2.24 2.07 0.00 -1.39 0.00 -1.26 -0.20 105.19 102.18 1s6u n GLY 75 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1s6u n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86