#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 -0.38 -4.66 1.61 0.00 -1.26 -4.66 120.64 111.28 1s6u n GLU 2 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 57.16 56.84 1s6u n GLU 2 Cb 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 31.44 29.44 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 -2.38 1.22 -0.15 3.84 -7.23 0.04 -3.91 120.40 111.83 1s6u s VAL 3 Ca 0.57 -0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 1s6u s VAL 3 Cb -0.20 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 1s6u s VAL 3 CO 0.68 0.37 0.97 -0.69 -0.31 0.00 0.00 175.10 176.11 1s6u s VAL 4 N 0.45 4.79 -0.14 1.32 1.01 0.81 -0.89 120.40 127.74 1s6u s VAL 4 Ca -0.11 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.62 1s6u s VAL 4 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1s6u s VAL 4 CO 0.03 -0.03 0.43 -0.76 0.00 0.00 0.00 175.10 174.77 1s6u s LEU 5 N 2.33 4.24 -0.17 3.92 1.43 0.29 -0.92 118.68 129.81 1s6u s LEU 5 Ca 0.44 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1s6u s LEU 5 Cb -0.17 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1s6u s LEU 5 CO 0.14 -0.00 -0.05 -0.75 0.23 0.00 0.00 176.35 175.91 1s6u s LYS 6 N 0.76 3.57 -0.03 1.70 2.47 -1.25 -0.70 119.74 126.26 1s6u s LYS 6 Ca 0.23 -0.56 -0.01 0.00 -1.56 0.00 0.00 55.97 54.07 1s6u s LYS 6 Cb -0.15 -2.91 0.03 0.00 -1.46 0.00 0.00 37.83 33.34 1s6u s LYS 6 CO 0.08 0.14 0.05 0.00 0.16 0.00 0.00 175.35 175.78 1s6u s MET 7 N 0.62 -0.00 0.24 4.03 0.23 0.04 -1.90 119.30 122.57 1s6u s MET 7 Ca -0.03 0.19 -0.30 0.00 -1.03 0.00 0.00 55.69 54.52 1s6u s MET 7 Cb -0.15 -0.18 -0.09 0.00 -1.53 0.00 0.00 34.83 32.88 1s6u s MET 7 CO 0.02 -0.14 1.06 0.15 -2.03 0.00 0.00 175.02 174.09 1s6u s LYS 8 N 0.88 4.67 0.11 3.16 3.01 -0.73 -0.07 119.74 130.77 1s6u s LYS 8 Ca -0.07 1.71 0.08 0.00 -1.01 0.00 0.00 55.97 56.69 1s6u s LYS 8 Cb -0.10 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 1s6u s LYS 8 CO -0.03 0.24 -0.21 0.14 0.51 0.00 0.00 175.35 176.00 1s6u s VAL 9 N -0.91 1.75 0.10 3.17 -7.23 -0.52 -0.43 120.40 116.34 1s6u s VAL 9 Ca 0.45 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 59.08 1s6u s VAL 9 Cb -0.30 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1s6u s VAL 9 CO 0.37 -0.09 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.38 1s6u s GLU 10 N -2.03 2.18 0.00 4.82 0.41 -1.22 -4.45 118.70 118.40 1s6u s GLU 10 Ca 0.08 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.63 1s6u s GLU 10 Cb -0.09 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 1s6u s GLU 10 CO 0.05 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 1s6u n GLY 11 N 0.67 1.77 3.53 -1.39 0.00 -1.26 -4.77 105.19 103.74 1s6u n GLY 11 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1s6u n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s6u n MET 12 N 0.00 1.20 -2.60 1.61 2.81 -1.26 -4.63 117.12 114.25 1s6u n MET 12 Ca 0.00 -2.19 -0.10 0.00 -1.81 0.00 0.00 57.70 53.60 1s6u n MET 12 Cb 0.00 -3.66 0.03 0.00 -0.71 0.00 0.00 33.22 28.89 1s6u n MET 12 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1s6u n THR 13 N 7.89 1.56 -3.52 2.03 -1.04 -1.26 -4.62 114.28 115.32 1s6u n THR 13 Ca 0.45 -3.41 -0.16 0.00 -2.04 0.00 0.00 64.05 58.88 1s6u n THR 13 Cb 0.46 0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.73 1.06 0.07 0.00 8.25 -1.26 -3.36 115.22 120.71 1s6u n HIS 15 Ca -0.17 -1.90 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 1s6u n HIS 15 Cb 0.58 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1s6u n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1s6u n SER 16 N 3.39 0.01 0.25 0.41 7.64 -1.26 -4.82 113.62 119.24 1s6u n SER 16 Ca 0.48 0.25 -0.16 0.00 1.01 0.00 0.00 58.87 60.45 1s6u n SER 16 Cb 0.39 0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 1s6u n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6u h THR 18 N -0.59 0.00 -0.70 0.00 1.03 -1.88 0.25 112.91 111.02 1s6u h THR 18 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 1s6u h THR 18 Cb 0.45 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.50 1s6u h THR 18 CO 0.10 0.00 0.22 -1.28 -0.01 0.00 0.00 175.52 174.55 1s6u h SER 19 N -0.28 1.01 -0.10 0.00 0.87 -1.80 0.16 113.55 113.41 1s6u h SER 19 Ca 0.05 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1s6u h SER 19 Cb 0.42 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1s6u h SER 19 CO -0.42 0.94 0.01 0.74 -0.53 0.00 0.00 176.83 177.56 1s6u h THR 20 N 1.04 0.95 0.06 2.23 2.02 -0.38 0.16 112.91 118.99 1s6u h THR 20 Ca 0.23 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1s6u h THR 20 Cb 0.29 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1s6u h THR 20 CO -0.01 0.01 -0.03 0.40 0.37 0.00 0.00 175.52 176.26 1s6u h ILE 21 N 0.05 1.06 -0.68 3.11 2.04 -0.10 0.79 117.51 123.79 1s6u h ILE 21 Ca 0.04 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.61 1s6u h ILE 21 Cb 0.04 1.33 -0.12 0.00 -0.74 0.00 0.00 36.82 37.33 1s6u h ILE 21 CO -0.06 0.10 -0.37 -0.33 0.00 0.00 0.00 178.15 177.49 1s6u h GLU 22 N -0.26 -0.13 0.64 2.37 5.08 -0.59 0.19 114.58 121.87 1s6u h GLU 22 Ca -0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1s6u h GLU 22 Cb 0.23 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s6u h GLU 22 CO 0.01 -0.09 -0.37 0.78 -1.00 0.00 0.00 179.01 178.34 1s6u h GLY 23 N -0.14 -1.02 0.87 -3.84 0.00 -0.48 0.18 103.07 98.64 1s6u h GLY 23 Ca 0.25 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 1s6u h GLY 23 CO -0.75 -0.36 -0.23 1.70 0.00 0.00 0.00 176.54 176.90 1s6u h LYS 24 N -0.95 -0.55 -0.27 4.80 1.63 -0.27 -2.92 116.57 118.04 1s6u h LYS 24 Ca -0.08 0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.59 1s6u h LYS 24 Cb 0.76 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1s6u h LYS 24 CO 0.10 -0.37 -0.50 0.82 -3.45 0.00 0.00 179.45 176.05 1s6u h ILE 25 N -0.57 1.29 -0.99 2.00 1.08 -0.71 -2.74 117.51 116.86 1s6u h ILE 25 Ca -0.04 -1.69 0.28 0.00 -0.39 0.00 0.00 64.86 63.01 1s6u h ILE 25 Cb 0.48 1.61 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 1s6u h ILE 25 CO 0.03 0.55 0.70 1.23 -0.69 0.00 0.00 178.15 179.96 1s6u h GLY 26 N 0.87 0.32 2.00 5.37 0.00 -0.53 -0.11 103.07 110.99 1s6u h GLY 26 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1s6u h GLY 26 CO 0.11 -0.02 0.00 1.17 0.00 0.00 0.00 176.54 177.79 1s6u n LYS 27 N -4.34 0.18 -2.42 4.80 4.81 -1.03 -4.87 118.16 115.29 1s6u n LYS 27 Ca 0.22 0.31 -0.40 0.00 -0.87 0.00 0.00 58.31 57.57 1s6u n LYS 27 Cb 0.99 -1.78 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 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 -4.22 4.48 -1.18 3.14 1.43 -0.05 -4.90 118.68 117.37 1s6u s LEU 28 Ca 0.07 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.25 1s6u s LEU 28 Cb 0.11 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1s6u s LEU 28 CO 0.44 -0.26 1.94 0.00 0.23 0.00 0.00 176.35 178.71 1s6u s GLN 29 N -1.64 2.45 0.00 1.70 -2.07 -1.26 -2.65 119.66 116.20 1s6u s GLN 29 Ca 0.47 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1s6u s GLN 29 Cb -0.32 -5.24 0.00 0.00 -1.09 0.00 0.00 33.01 26.36 1s6u s GLN 29 CO 0.41 -4.04 0.00 0.41 -1.32 0.00 0.00 175.29 170.75 1s6u n GLY 30 N 5.81 0.00 3.76 2.60 0.00 -1.26 -4.41 105.19 111.69 1s6u n GLY 30 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 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 5.16 -0.15 1.61 1.01 -1.08 -1.71 120.40 125.24 1s6u s VAL 31 Ca 0.00 0.81 0.14 0.00 0.00 0.00 0.00 61.98 62.93 1s6u s VAL 31 Cb 0.00 -3.73 -0.24 0.00 0.00 0.00 0.00 36.38 32.41 1s6u s VAL 31 CO 0.00 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.79 1s6u n GLN 32 N 3.00 0.67 -3.65 2.72 10.64 0.10 -4.92 117.38 125.95 1s6u n GLN 32 Ca -0.11 0.12 -0.10 0.00 -1.83 0.00 0.00 57.00 55.08 1s6u n GLN 32 Cb 0.52 -1.62 -0.04 0.00 -0.86 0.00 0.00 30.24 28.24 1s6u n GLN 32 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1s6u s ARG 33 N -2.53 1.15 -0.22 2.61 0.52 -1.09 -5.05 118.95 114.34 1s6u s ARG 33 Ca -0.11 -0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 54.19 1s6u s ARG 33 Cb 0.07 0.49 0.06 0.00 0.52 0.00 0.00 34.95 36.08 1s6u s ARG 33 CO 0.81 -0.46 0.57 -1.50 0.02 0.00 0.00 175.30 174.74 1s6u s ILE 34 N -3.82 -0.00 0.04 1.52 2.07 -1.26 -0.38 121.20 119.36 1s6u s ILE 34 Ca 0.04 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1s6u s ILE 34 Cb 0.01 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 1s6u s ILE 34 CO -0.10 0.00 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.35 1s6u s LYS 35 N 0.59 0.48 -0.16 3.50 -0.14 0.60 -4.98 119.74 119.64 1s6u s LYS 35 Ca -0.02 -0.85 -0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1s6u s LYS 35 Cb -0.05 -0.01 0.05 0.00 -1.68 0.00 0.00 37.83 36.15 1s6u s LYS 35 CO -0.03 -0.03 0.07 0.08 -0.76 0.00 0.00 175.35 174.67 1s6u s VAL 36 N -2.18 0.11 -1.32 3.17 1.01 -1.26 0.10 120.40 120.03 1s6u s VAL 36 Ca -0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1s6u s VAL 36 Cb -0.05 -0.65 0.14 0.00 0.00 0.00 0.00 36.38 35.82 1s6u s VAL 36 CO -0.03 -0.18 1.97 -1.20 0.00 0.00 0.00 175.10 175.67 1s6u n SER 37 N 5.21 5.02 -0.31 3.32 7.64 0.14 -4.81 113.62 129.83 1s6u n SER 37 Ca -0.07 -3.06 0.13 0.00 1.01 0.00 0.00 58.87 56.88 1s6u n SER 37 Cb 0.49 -1.51 0.31 0.00 -1.01 0.00 0.00 64.21 62.49 1s6u n SER 37 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1s6u h LEU 38 N 8.13 0.37 -0.54 -3.43 -0.00 -1.82 -1.26 115.31 116.76 1s6u h LEU 38 Ca 0.44 0.15 0.09 0.00 -0.00 0.00 0.00 57.88 58.56 1s6u h LEU 38 Cb 0.61 0.12 -0.10 0.00 -0.00 0.00 0.00 40.66 41.29 1s6u h LEU 38 CO 1.67 0.02 -0.42 0.44 -0.00 0.00 0.00 178.44 180.15 1s6u h ASP 39 N 0.43 -1.44 -0.63 0.17 5.19 -1.87 0.24 116.42 118.51 1s6u h ASP 39 Ca 0.56 0.24 -0.11 0.00 -0.62 0.00 0.00 57.03 57.09 1s6u h ASP 39 Cb 1.04 0.66 -0.07 0.00 0.18 0.00 0.00 39.33 41.14 1s6u h ASP 39 CO -0.51 -0.34 0.14 -3.20 -3.12 0.00 0.00 179.24 172.21 1s6u n ASN 40 N -5.41 5.03 -4.06 6.45 5.15 -0.84 -4.94 115.26 116.66 1s6u n ASN 40 Ca 0.01 -3.02 -0.33 0.00 -0.60 0.00 0.00 54.58 50.65 1s6u n ASN 40 Cb 0.35 -0.71 -0.03 0.00 -0.53 0.00 0.00 39.78 38.86 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 0.21 -1.55 -4.11 1.20 6.02 0.07 -4.95 117.38 114.27 1s6u n GLN 41 Ca 0.33 0.24 -0.14 0.00 -0.01 0.00 0.00 57.00 57.41 1s6u n GLN 41 Cb 1.25 -3.71 -0.12 0.00 1.02 0.00 0.00 30.24 28.68 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 -6.94 0.55 0.09 -1.09 2.12 -0.54 -1.44 118.70 111.45 1s6u s GLU 42 Ca 0.18 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1s6u s GLU 42 Cb -0.09 -0.39 -0.03 0.00 0.26 0.00 0.00 34.13 33.88 1s6u s GLU 42 CO 0.94 0.08 -0.20 0.00 -0.54 0.00 0.00 175.26 175.54 1s6u s ALA 43 N -1.10 1.73 -0.15 6.30 0.00 0.90 0.24 121.76 129.69 1s6u s ALA 43 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1s6u s ALA 43 Cb -0.08 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1s6u s ALA 43 CO 0.00 0.35 -0.06 0.99 0.00 0.00 0.00 175.76 177.05 1s6u s THR 44 N -1.09 1.07 -0.24 0.00 2.01 0.11 -0.78 115.64 116.72 1s6u s THR 44 Ca 0.06 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1s6u s THR 44 Cb -0.10 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.27 1s6u s THR 44 CO 0.04 0.20 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.45 1s6u s ILE 45 N 1.66 1.81 -0.69 1.82 -1.09 0.12 -0.29 121.20 124.54 1s6u s ILE 45 Ca 0.02 -1.38 -0.14 0.00 -2.23 0.00 0.00 60.65 56.92 1s6u s ILE 45 Cb -0.14 -1.99 0.18 0.00 -1.58 0.00 0.00 42.46 38.92 1s6u s ILE 45 CO -0.08 -0.05 0.63 -0.69 -1.23 0.00 0.00 174.94 173.53 1s6u s VAL 46 N 1.27 5.34 0.38 2.92 1.01 0.48 -0.55 120.40 131.26 1s6u s VAL 46 Ca -0.07 -2.05 0.08 0.00 0.00 0.00 0.00 61.98 59.94 1s6u s VAL 46 Cb -0.19 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1s6u s VAL 46 CO -0.06 -0.95 0.19 -0.72 0.00 0.00 0.00 175.10 173.56 1s6u s TYR 47 N 0.81 2.66 -0.30 5.22 1.13 -0.07 -0.72 117.35 126.09 1s6u s TYR 47 Ca 0.11 -0.48 -0.06 0.00 -1.41 0.00 0.00 57.07 55.23 1s6u s TYR 47 Cb -0.19 -1.85 0.02 0.00 -1.10 0.00 0.00 41.96 38.84 1s6u s TYR 47 CO -0.03 0.21 0.06 -1.14 -2.51 0.00 0.00 175.55 172.13 1s6u s GLN 48 N -3.91 2.92 -1.15 -3.49 0.74 -0.69 -0.78 119.66 113.29 1s6u s GLN 48 Ca 0.41 -0.96 -0.21 0.00 0.05 0.00 0.00 55.36 54.64 1s6u s GLN 48 Cb 0.00 -3.31 -0.06 0.00 1.10 0.00 0.00 33.01 30.74 1s6u s GLN 48 CO 0.23 -0.49 1.91 -0.35 -0.55 0.00 0.00 175.29 176.04 1s6u n PRO 49 N 4.81 2.06 0.00 1.67 -0.04 -1.26 -1.95 135.00 140.29 1s6u n PRO 49 Ca -0.14 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1s6u n PRO 49 Cb 0.47 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 10.89 -0.13 -0.04 0.54 8.25 -1.26 -5.00 115.22 128.47 1s6u n HIS 50 Ca 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1s6u n HIS 50 Cb 0.45 0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 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 0.13 -9.02 2.41 3.38 -1.72 -3.48 115.31 107.02 1s6u h LEU 51 Ca 0.00 -0.85 -0.45 0.00 0.09 0.00 0.00 57.88 56.67 1s6u h LEU 51 Cb 0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.57 1s6u h LEU 51 CO 0.00 0.96 -0.53 -0.51 0.09 0.00 0.00 178.44 178.45 1s6u s ILE 52 N -2.84 0.24 0.09 1.22 1.10 -1.23 -4.87 121.20 114.93 1s6u s ILE 52 Ca -0.17 -2.00 -0.04 0.00 -0.51 0.00 0.00 60.65 57.93 1s6u s ILE 52 Cb -0.01 -2.47 -0.03 0.00 0.15 0.00 0.00 42.46 40.10 1s6u s ILE 52 CO 0.72 0.00 0.08 -0.94 -2.11 0.00 0.00 174.94 172.69 1s6u s SER 53 N -3.40 0.30 0.29 4.50 1.04 -1.26 -4.59 113.70 110.57 1s6u s SER 53 Ca 0.35 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.84 1s6u s SER 53 Cb 0.04 0.29 0.68 0.00 0.10 0.00 0.00 66.02 67.13 1s6u s SER 53 CO 0.20 -0.70 1.62 0.58 0.98 0.00 0.00 173.24 175.92 1s6u h VAL 54 N 2.91 0.23 0.50 5.02 2.07 -2.00 -2.21 116.25 122.77 1s6u h VAL 54 Ca -0.34 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1s6u h VAL 54 Cb 1.18 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1s6u h VAL 54 CO 0.60 0.02 -0.24 -0.08 0.02 0.00 0.00 177.57 177.89 1s6u h GLU 55 N 0.12 -0.65 -0.50 1.57 4.22 -1.98 0.13 114.58 117.50 1s6u h GLU 55 Ca 0.54 0.04 0.09 0.00 0.08 0.00 0.00 59.36 60.12 1s6u h GLU 55 Cb 1.10 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 1s6u h GLU 55 CO -0.74 -0.42 -0.38 0.93 -2.18 0.00 0.00 179.01 176.23 1s6u h GLU 56 N -0.69 -0.23 -0.47 1.92 4.39 -1.87 0.46 114.58 118.09 1s6u h GLU 56 Ca -0.07 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1s6u h GLU 56 Cb 0.52 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1s6u h GLU 56 CO 0.11 -0.15 -0.44 0.52 -1.16 0.00 0.00 179.01 177.89 1s6u h MET 57 N -0.24 -0.28 0.74 2.33 2.86 -0.99 0.93 114.93 120.28 1s6u h MET 57 Ca 0.19 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1s6u h MET 57 Cb 0.56 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.29 1s6u h MET 57 CO -0.62 -0.19 -0.35 -0.22 1.06 0.00 0.00 176.91 176.58 1s6u h LYS 58 N -0.29 -0.95 -0.98 1.72 3.64 0.39 -1.44 116.57 118.65 1s6u h LYS 58 Ca 0.15 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.77 1s6u h LYS 58 Cb 0.58 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 32.44 1s6u h LYS 58 CO -0.62 -0.64 -0.32 -0.22 -2.27 0.00 0.00 179.45 175.39 1s6u h LYS 59 N -1.11 -0.00 -0.23 1.90 1.63 0.01 0.84 116.57 119.60 1s6u h LYS 59 Ca -0.10 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1s6u h LYS 59 Cb 0.76 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1s6u h LYS 59 CO 0.17 -0.00 0.12 1.96 -3.45 0.00 0.00 179.45 178.24 1s6u h GLN 60 N -0.01 0.33 0.30 1.90 1.08 -0.81 0.12 115.11 118.02 1s6u h GLN 60 Ca 0.40 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1s6u h GLN 60 Cb 0.65 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1s6u h GLN 60 CO -0.99 0.32 -0.14 0.82 -0.95 0.00 0.00 178.83 177.89 1s6u h ILE 61 N 0.26 0.00 -1.00 2.54 2.04 0.53 -3.23 117.51 118.65 1s6u h ILE 61 Ca 0.08 -0.24 0.34 0.00 1.00 0.00 0.00 64.86 66.04 1s6u h ILE 61 Cb 0.09 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.02 1s6u h ILE 61 CO -0.01 0.00 0.56 -0.08 0.00 0.00 0.00 178.15 178.62 1s6u h GLU 62 N -0.63 0.26 -0.64 2.37 4.81 0.42 0.81 114.58 121.97 1s6u h GLU 62 Ca -0.04 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.32 1s6u h GLU 62 Cb 0.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1s6u h GLU 62 CO 0.07 0.17 0.44 0.00 -0.73 0.00 0.00 179.01 178.96 1s6u h ALA 63 N 1.87 2.26 -0.85 2.92 0.00 -0.78 0.23 119.26 124.92 1s6u h ALA 63 Ca 0.75 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.70 1s6u h ALA 63 Cb 1.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1s6u h ALA 63 CO -0.63 -0.44 0.53 0.52 0.00 0.00 0.00 179.25 179.23 1s6u h MET 64 N 0.24 0.97 0.00 0.00 2.86 -0.86 -3.47 114.93 114.67 1s6u h MET 64 Ca 0.31 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1s6u h MET 64 Cb 0.88 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1s6u h MET 64 CO -0.07 0.64 0.00 0.41 1.06 0.00 0.00 176.91 178.96 1s6u n GLY 65 N -1.33 0.93 3.66 8.32 0.00 0.79 -5.12 105.19 112.43 1s6u n GLY 65 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.10 0.47 1.61 0.08 -1.25 -4.99 117.98 117.02 1s6u s PHE 66 Ca 0.00 1.24 -0.23 0.00 0.12 0.00 0.00 56.93 58.06 1s6u s PHE 66 Cb 0.00 -3.44 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1s6u s PHE 66 CO 0.00 -1.02 1.26 -1.25 -0.10 0.00 0.00 175.22 174.11 1s6u s PRO 67 N 3.42 3.61 -0.06 0.24 0.04 -1.26 -3.92 135.00 137.07 1s6u s PRO 67 Ca 0.49 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 1s6u s PRO 67 Cb -0.17 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1s6u s PRO 67 CO 0.11 -0.74 0.14 0.00 0.04 0.00 0.00 177.00 176.55 1s6u s ALA 68 N -1.40 -0.31 -1.05 8.56 0.00 -1.26 -3.45 121.76 122.86 1s6u s ALA 68 Ca 0.65 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1s6u s ALA 68 Cb -0.35 -0.32 0.25 0.00 0.00 0.00 0.00 23.12 22.71 1s6u s ALA 68 CO 0.42 -0.10 1.05 -0.06 0.00 0.00 0.00 175.76 177.07 1s6u s PHE 69 N 0.52 4.08 -0.47 0.00 0.08 0.43 -4.92 117.98 117.71 1s6u s PHE 69 Ca -0.04 -2.46 -0.28 0.00 0.12 0.00 0.00 56.93 54.27 1s6u s PHE 69 Cb -0.05 -3.87 -0.01 0.00 -0.57 0.00 0.00 43.02 38.51 1s6u s PHE 69 CO -0.02 -1.00 1.75 0.54 -0.10 0.00 0.00 175.22 176.39 1s6u s VAL 70 N -0.67 3.50 -0.43 -0.44 0.11 -1.26 -1.77 120.40 119.42 1s6u s VAL 70 Ca 0.28 0.43 0.08 0.00 -2.93 0.00 0.00 61.98 59.85 1s6u s VAL 70 Cb -0.09 -3.88 0.34 0.00 -1.53 0.00 0.00 36.38 31.21 1s6u s VAL 70 CO -0.08 -0.70 1.05 2.29 -3.33 0.00 0.00 175.10 174.33 1s6u n LYS 71 N 8.71 1.03 -3.65 1.54 2.85 -0.80 -4.99 118.16 122.85 1s6u n LYS 71 Ca 0.20 -2.26 -0.13 0.00 -1.05 0.00 0.00 58.31 55.07 1s6u n LYS 71 Cb 0.49 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.71 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 -0.39 0.92 -0.52 -1.58 1.02 -1.16 -4.89 119.74 113.15 1s6u s LYS 72 Ca 0.26 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.01 1s6u s LYS 72 Cb 0.32 0.41 0.18 0.00 -0.52 0.00 0.00 37.83 38.22 1s6u s LYS 72 CO -0.06 -0.31 0.43 -0.89 -0.92 0.00 0.00 175.35 173.60 1s6u n ILE 73 N 0.58 -0.07 -3.18 2.17 -0.00 -1.25 -3.90 119.36 113.71 1s6u n ILE 73 Ca -0.19 -4.03 -0.42 0.00 -0.00 0.00 0.00 62.75 58.11 1s6u n ILE 73 Cb 0.59 -1.87 -0.07 0.00 -0.00 0.00 0.00 39.64 38.29 1s6u n ILE 73 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1s6u s GLU 74 N -0.68 3.64 0.00 0.38 2.12 -0.09 -4.90 118.70 119.17 1s6u s GLU 74 Ca 0.31 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.58 1s6u s GLU 74 Cb 0.03 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1s6u s GLU 74 CO -0.17 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 1s6u n GLY 75 N 4.74 -0.68 0.00 -1.50 0.00 -1.26 -0.14 105.19 106.35 1s6u n GLY 75 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19