#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u s GLU 2 N 0.00 1.93 -0.00 1.61 1.03 -1.26 -4.35 118.70 117.66 1s6u s GLU 2 Ca 0.00 -2.08 0.01 0.00 0.03 0.00 0.00 54.97 52.93 1s6u s GLU 2 Cb 0.00 -1.64 -0.00 0.00 -0.80 0.00 0.00 34.13 31.68 1s6u s GLU 2 CO 0.00 -0.02 -0.04 0.08 -1.33 0.00 0.00 175.26 173.95 1s6u s VAL 3 N -2.70 0.33 -0.09 1.83 1.01 0.65 -4.09 120.40 117.34 1s6u s VAL 3 Ca 0.35 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1s6u s VAL 3 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1s6u s VAL 3 CO 0.18 0.07 0.63 -0.69 0.00 0.00 0.00 175.10 175.29 1s6u s VAL 4 N -0.16 5.09 -0.02 2.92 1.01 -1.25 -0.74 120.40 127.25 1s6u s VAL 4 Ca 0.01 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1s6u s VAL 4 Cb -0.02 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1s6u s VAL 4 CO -0.00 0.26 -0.08 -0.22 0.00 0.00 0.00 175.10 175.06 1s6u s LEU 5 N 0.81 3.08 -0.15 3.92 0.20 0.43 -2.05 118.68 124.91 1s6u s LEU 5 Ca 0.34 -0.14 -0.00 0.00 0.69 0.00 0.00 54.13 55.01 1s6u s LEU 5 Cb -0.17 -1.73 0.04 0.00 -0.43 0.00 0.00 46.19 43.89 1s6u s LEU 5 CO 0.15 0.31 -0.07 -0.75 -0.29 0.00 0.00 176.35 175.70 1s6u s LYS 6 N -1.20 1.54 -0.12 1.98 2.47 -1.26 -0.85 119.74 122.30 1s6u s LYS 6 Ca 0.15 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.10 1s6u s LYS 6 Cb -0.11 -1.92 -0.02 0.00 -1.46 0.00 0.00 37.83 34.32 1s6u s LYS 6 CO 0.05 -0.38 -0.12 0.00 0.16 0.00 0.00 175.35 175.07 1s6u s MET 7 N 1.63 3.27 0.28 4.03 0.23 -0.20 -1.66 119.30 126.88 1s6u s MET 7 Ca 0.02 -0.66 -0.29 0.00 -1.03 0.00 0.00 55.69 53.72 1s6u s MET 7 Cb -0.14 -2.63 -0.10 0.00 -1.53 0.00 0.00 34.83 30.43 1s6u s MET 7 CO -0.08 0.29 1.31 0.15 -2.03 0.00 0.00 175.02 174.66 1s6u s LYS 8 N 0.16 4.38 0.15 3.16 3.01 -0.58 -0.36 119.74 129.66 1s6u s LYS 8 Ca -0.06 2.15 0.10 0.00 -1.01 0.00 0.00 55.97 57.15 1s6u s LYS 8 Cb -0.15 -3.12 -0.04 0.00 -1.01 0.00 0.00 37.83 33.51 1s6u s LYS 8 CO 0.05 -0.20 -0.24 0.14 0.51 0.00 0.00 175.35 175.61 1s6u s VAL 9 N -0.66 2.11 0.06 3.17 -7.23 -0.09 -0.28 120.40 117.49 1s6u s VAL 9 Ca 0.52 -1.82 0.09 0.00 -1.81 0.00 0.00 61.98 58.96 1s6u s VAL 9 Cb -0.39 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1s6u s VAL 9 CO 0.47 -0.06 -0.23 -1.61 -0.31 0.00 0.00 175.10 173.36 1s6u s GLU 10 N -2.31 1.86 0.00 4.82 0.41 -1.19 -4.58 118.70 117.72 1s6u s GLU 10 Ca 0.15 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 1s6u s GLU 10 Cb -0.09 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1s6u s GLU 10 CO 0.07 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.76 1s6u n GLY 11 N 1.52 2.71 3.61 -1.39 0.00 -1.26 -4.55 105.19 105.83 1s6u n GLY 11 Ca -0.17 -0.70 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 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 2.02 -2.67 1.61 2.81 -1.26 -4.80 117.12 114.83 1s6u n MET 12 Ca 0.00 0.67 -0.01 0.00 -1.81 0.00 0.00 57.70 56.55 1s6u n MET 12 Cb 0.00 -2.85 0.08 0.00 -0.71 0.00 0.00 33.22 29.74 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 6.38 0.69 -3.67 2.03 -1.04 -1.26 -4.88 114.28 112.53 1s6u n THR 13 Ca 0.28 -2.02 -0.11 0.00 -2.04 0.00 0.00 64.05 60.16 1s6u n THR 13 Cb 0.35 1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 69.96 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u h HIS 15 N 2.66 0.00 0.79 0.00 2.07 -2.00 -3.23 115.15 115.44 1s6u h HIS 15 Ca -0.33 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.15 1s6u h HIS 15 Cb 1.23 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.22 1s6u h HIS 15 CO 0.37 0.00 -0.38 1.03 -3.07 0.00 0.00 177.93 175.88 1s6u h SER 16 N 0.00 -0.90 0.03 3.10 0.87 -1.98 -0.13 113.55 114.54 1s6u h SER 16 Ca 0.00 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1s6u h SER 16 Cb 0.35 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1s6u h SER 16 CO 0.00 -0.62 -0.16 0.00 -0.53 0.00 0.00 176.83 175.52 1s6u h THR 18 N -0.28 0.30 -0.57 0.00 1.35 -1.62 -0.07 112.91 112.02 1s6u h THR 18 Ca 0.04 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.95 1s6u h THR 18 Cb 0.34 0.30 -0.05 0.00 -1.73 0.00 0.00 68.15 67.01 1s6u h THR 18 CO -0.14 0.00 0.30 -1.28 -0.25 0.00 0.00 175.52 174.15 1s6u h SER 19 N -0.60 0.43 -0.23 5.36 0.87 -0.81 0.18 113.55 118.75 1s6u h SER 19 Ca 0.01 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1s6u h SER 19 Cb 0.60 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1s6u h SER 19 CO -0.15 0.29 -0.09 0.74 -0.53 0.00 0.00 176.83 177.09 1s6u h THR 20 N 0.57 0.70 -0.14 2.23 2.02 -0.31 0.17 112.91 118.15 1s6u h THR 20 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1s6u h THR 20 Cb 0.15 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1s6u h THR 20 CO -0.17 0.00 0.05 0.40 0.37 0.00 0.00 175.52 176.18 1s6u h ILE 21 N -0.05 1.16 -0.58 3.11 2.04 -0.36 0.76 117.51 123.59 1s6u h ILE 21 Ca 0.12 -0.48 0.11 0.00 1.00 0.00 0.00 64.86 65.60 1s6u h ILE 21 Cb 0.23 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.42 1s6u h ILE 21 CO -0.27 0.15 -0.31 -0.33 0.00 0.00 0.00 178.15 177.39 1s6u h GLU 22 N 0.06 -0.15 0.34 2.37 5.08 -0.36 0.15 114.58 122.09 1s6u h GLU 22 Ca 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s6u h GLU 22 Cb 0.18 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1s6u h GLU 22 CO -0.00 -0.10 -0.49 0.78 -1.00 0.00 0.00 179.01 178.20 1s6u h GLY 23 N -0.15 -1.15 0.51 -3.84 0.00 -0.38 0.24 103.07 98.29 1s6u h GLY 23 Ca 0.24 0.58 -0.02 0.00 0.00 0.00 0.00 47.33 48.13 1s6u h GLY 23 CO -0.67 -0.33 -0.45 1.70 0.00 0.00 0.00 176.54 176.80 1s6u h LYS 24 N -0.88 -0.90 -0.20 4.80 1.63 0.11 0.77 116.57 121.90 1s6u h LYS 24 Ca -0.03 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1s6u h LYS 24 Cb 0.81 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 1s6u h LYS 24 CO -0.15 -0.60 0.07 0.82 -3.45 0.00 0.00 179.45 176.14 1s6u h ILE 25 N -0.94 1.18 -0.96 2.00 5.03 -0.80 -2.41 117.51 120.61 1s6u h ILE 25 Ca -0.06 -0.55 0.20 0.00 -0.12 0.00 0.00 64.86 64.32 1s6u h ILE 25 Cb 0.80 1.17 -0.11 0.00 -3.03 0.00 0.00 36.82 35.65 1s6u h ILE 25 CO -0.02 0.17 0.54 1.23 -0.68 0.00 0.00 178.15 179.39 1s6u h GLY 26 N 0.15 1.69 1.96 5.37 0.00 -0.43 0.53 103.07 112.35 1s6u h GLY 26 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1s6u h GLY 26 CO -0.00 -0.12 0.00 1.17 0.00 0.00 0.00 176.54 177.58 1s6u n LYS 27 N -4.85 0.03 -3.01 4.80 4.81 0.26 -4.73 118.16 115.47 1s6u n LYS 27 Ca 0.23 0.15 -0.40 0.00 -0.87 0.00 0.00 58.31 57.42 1s6u n LYS 27 Cb 0.59 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 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 -2.96 4.38 0.26 3.14 1.43 0.17 -5.04 118.68 120.06 1s6u s LEU 28 Ca 0.11 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 1s6u s LEU 28 Cb 0.13 -3.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 1s6u s LEU 28 CO 0.36 -0.06 1.47 -1.58 0.23 0.00 0.00 176.35 176.77 1s6u s GLN 29 N 0.40 4.24 0.00 1.70 0.74 -1.26 -3.67 119.66 121.81 1s6u s GLN 29 Ca 0.39 2.36 0.00 0.00 0.05 0.00 0.00 55.36 58.16 1s6u s GLN 29 Cb -0.19 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1s6u s GLN 29 CO 0.21 -0.47 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 1s6u n GLY 30 N 2.22 1.55 3.71 2.59 0.00 -1.26 -4.76 105.19 109.24 1s6u n GLY 30 Ca 0.07 0.00 -0.34 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 -0.92 4.42 -0.18 1.61 1.01 -1.24 -0.87 120.40 124.23 1s6u s VAL 31 Ca 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 61.98 61.83 1s6u s VAL 31 Cb 0.00 -2.90 -0.21 0.00 0.00 0.00 0.00 36.38 33.27 1s6u s VAL 31 CO 0.00 0.54 0.04 0.00 0.00 0.00 0.00 175.10 175.68 1s6u n GLN 32 N 1.90 1.12 -3.75 2.72 -0.00 0.11 -4.95 117.38 114.54 1s6u n GLN 32 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.78 1s6u n GLN 32 Cb 0.53 -1.45 -0.02 0.00 -0.00 0.00 0.00 30.24 29.31 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1s6u s ARG 33 N -2.42 1.34 -0.18 2.61 3.52 -0.95 -5.04 118.95 117.82 1s6u s ARG 33 Ca -0.10 -0.72 -0.25 0.00 -0.13 0.00 0.00 55.73 54.53 1s6u s ARG 33 Cb 0.05 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.98 1s6u s ARG 33 CO 0.70 -0.61 0.65 -1.50 -0.81 0.00 0.00 175.30 173.73 1s6u s ILE 34 N -3.47 0.00 -0.34 4.11 2.07 -1.26 0.07 121.20 122.38 1s6u s ILE 34 Ca 0.11 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 1s6u s ILE 34 Cb -0.03 -0.93 0.14 0.00 0.13 0.00 0.00 42.46 41.77 1s6u s ILE 34 CO 0.02 -0.01 0.29 -0.54 -1.91 0.00 0.00 174.94 172.79 1s6u s LYS 35 N -0.15 0.49 -0.51 3.50 -0.14 0.23 -4.95 119.74 118.21 1s6u s LYS 35 Ca -0.04 -0.77 -0.20 0.00 -1.36 0.00 0.00 55.97 53.61 1s6u s LYS 35 Cb -0.03 -0.90 0.06 0.00 -1.68 0.00 0.00 37.83 35.27 1s6u s LYS 35 CO 0.04 -1.14 0.67 0.08 -0.76 0.00 0.00 175.35 174.23 1s6u s VAL 36 N 1.64 4.81 -0.22 3.17 1.01 -1.26 -0.43 120.40 129.12 1s6u s VAL 36 Ca 0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1s6u s VAL 36 Cb -0.17 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1s6u s VAL 36 CO -0.13 -0.86 0.30 -0.44 0.00 0.00 0.00 175.10 173.97 1s6u s SER 37 N 2.74 6.31 -0.06 3.32 0.01 0.49 -4.97 113.70 121.54 1s6u s SER 37 Ca 0.17 0.35 -0.21 0.00 1.31 0.00 0.00 55.95 57.57 1s6u s SER 37 Cb -0.18 -2.18 -0.31 0.00 0.21 0.00 0.00 66.02 63.56 1s6u s SER 37 CO 0.13 -0.01 0.84 0.17 0.41 0.00 0.00 173.24 174.78 1s6u h LEU 38 N 7.55 0.44 0.00 2.44 8.10 -1.90 -0.20 115.31 131.75 1s6u h LEU 38 Ca -0.37 -0.94 0.02 0.00 0.11 0.00 0.00 57.88 56.70 1s6u h LEU 38 Cb 1.16 -0.14 -0.05 0.00 -0.44 0.00 0.00 40.66 41.19 1s6u h LEU 38 CO 0.70 1.41 -0.46 0.44 -4.11 0.00 0.00 178.44 176.42 1s6u h ASP 39 N -0.39 -1.40 -0.36 0.17 5.19 -1.94 0.11 116.42 117.81 1s6u h ASP 39 Ca -0.16 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1s6u h ASP 39 Cb 1.64 0.53 0.00 0.00 0.18 0.00 0.00 39.33 41.68 1s6u h ASP 39 CO 0.13 -0.45 0.00 -3.20 -3.12 0.00 0.00 179.24 172.61 1s6u n ASN 40 N -5.00 3.64 -3.78 6.45 2.85 -1.26 -4.94 115.26 113.23 1s6u n ASN 40 Ca -0.06 -2.48 -0.25 0.00 -0.11 0.00 0.00 54.58 51.67 1s6u n ASN 40 Cb 0.34 -0.57 0.01 0.00 1.24 0.00 0.00 39.78 40.80 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 0.43 -0.64 -3.72 1.20 7.27 0.40 -4.89 117.38 117.43 1s6u n GLN 41 Ca 0.16 -0.01 -0.18 0.00 0.07 0.00 0.00 57.00 57.05 1s6u n GLN 41 Cb 0.76 -1.18 -0.17 0.00 2.41 0.00 0.00 30.24 32.06 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 -5.81 -0.05 -0.36 3.69 2.12 -0.09 -0.91 118.70 117.30 1s6u s GLU 42 Ca 0.22 0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.73 1s6u s GLU 42 Cb -0.12 -0.41 0.01 0.00 0.26 0.00 0.00 34.13 33.87 1s6u s GLU 42 CO 0.58 -0.26 0.22 0.00 -0.54 0.00 0.00 175.26 175.27 1s6u s ALA 43 N 1.69 3.38 0.00 6.30 0.00 0.51 -0.38 121.76 133.27 1s6u s ALA 43 Ca -0.01 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.14 1s6u s ALA 43 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1s6u s ALA 43 CO -0.03 -1.17 0.81 0.99 0.00 0.00 0.00 175.76 176.36 1s6u s THR 44 N 1.64 4.84 -0.08 0.00 2.01 0.43 -1.03 115.64 123.45 1s6u s THR 44 Ca 0.04 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1s6u s THR 44 Cb -0.18 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1s6u s THR 44 CO 0.08 0.27 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.58 1s6u s ILE 45 N 0.48 0.87 -0.33 1.82 -1.09 -0.03 -0.60 121.20 122.32 1s6u s ILE 45 Ca 0.42 -0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.54 1s6u s ILE 45 Cb -0.20 -0.88 0.05 0.00 -1.58 0.00 0.00 42.46 39.85 1s6u s ILE 45 CO 0.23 0.32 0.08 -0.69 -1.23 0.00 0.00 174.94 173.65 1s6u s VAL 46 N 1.27 3.47 0.26 2.92 1.01 0.11 -0.43 120.40 129.01 1s6u s VAL 46 Ca -0.04 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 60.67 1s6u s VAL 46 Cb -0.14 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1s6u s VAL 46 CO -0.03 -0.20 0.01 -0.72 0.00 0.00 0.00 175.10 174.16 1s6u s TYR 47 N 1.33 1.73 -0.45 5.22 1.13 0.08 -0.71 117.35 125.68 1s6u s TYR 47 Ca -0.02 -0.91 -0.14 0.00 -1.41 0.00 0.00 57.07 54.59 1s6u s TYR 47 Cb -0.20 -1.03 0.06 0.00 -1.10 0.00 0.00 41.96 39.69 1s6u s TYR 47 CO 0.01 0.01 0.34 -1.14 -2.51 0.00 0.00 175.55 172.26 1s6u s GLN 48 N -3.86 2.91 -1.16 -3.49 0.74 -0.05 -0.26 119.66 114.49 1s6u s GLN 48 Ca 0.31 -1.29 -0.23 0.00 0.05 0.00 0.00 55.36 54.21 1s6u s GLN 48 Cb 0.06 -4.02 -0.07 0.00 1.10 0.00 0.00 33.01 30.08 1s6u s GLN 48 CO 0.11 -0.94 1.92 -1.25 -0.55 0.00 0.00 175.29 174.58 1s6u s PRO 49 N 1.61 2.62 0.00 1.67 0.04 -1.26 -1.71 135.00 137.97 1s6u s PRO 49 Ca 0.04 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1s6u s PRO 49 Cb -0.23 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1s6u s PRO 49 CO 0.07 -3.79 0.00 0.72 0.04 0.00 0.00 177.00 174.04 1s6u n HIS 50 N 13.87 0.00 -0.02 0.56 8.25 -1.26 -4.99 115.22 131.63 1s6u n HIS 50 Ca 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.84 1s6u n HIS 50 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.06 -9.21 2.41 3.38 -1.66 -3.48 115.31 106.68 1s6u h LEU 51 Ca 0.00 -0.35 -0.49 0.00 0.09 0.00 0.00 57.88 57.13 1s6u h LEU 51 Cb 0.00 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.63 1s6u h LEU 51 CO 0.00 0.59 -0.64 -0.51 0.09 0.00 0.00 178.44 177.97 1s6u s ILE 52 N -2.18 1.46 0.26 1.22 1.10 -1.19 -4.95 121.20 116.92 1s6u s ILE 52 Ca -0.08 -2.06 0.04 0.00 -0.51 0.00 0.00 60.65 58.04 1s6u s ILE 52 Cb -0.01 -2.64 -0.05 0.00 0.15 0.00 0.00 42.46 39.91 1s6u s ILE 52 CO 0.30 -0.15 0.00 -0.94 -2.11 0.00 0.00 174.94 172.04 1s6u s SER 53 N -3.48 2.02 0.27 4.50 1.04 -1.26 -4.43 113.70 112.36 1s6u s SER 53 Ca 0.33 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 1s6u s SER 53 Cb 0.07 -0.02 0.58 0.00 0.10 0.00 0.00 66.02 66.74 1s6u s SER 53 CO 0.14 -0.52 1.66 0.58 0.98 0.00 0.00 173.24 176.08 1s6u h VAL 54 N 2.38 0.38 -0.87 5.02 2.07 -2.00 -2.35 116.25 120.88 1s6u h VAL 54 Ca -0.39 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1s6u h VAL 54 Cb 1.23 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1s6u h VAL 54 CO 0.66 0.04 0.53 -0.08 0.02 0.00 0.00 177.57 178.74 1s6u h GLU 55 N 0.21 1.18 -0.28 1.57 4.81 -1.99 -1.34 114.58 118.75 1s6u h GLU 55 Ca 0.48 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1s6u h GLU 55 Cb 0.91 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1s6u h GLU 55 CO -0.61 0.82 0.16 1.49 -0.73 0.00 0.00 179.01 180.13 1s6u h GLU 56 N 1.20 0.39 0.18 1.92 4.22 -1.84 0.34 114.58 120.99 1s6u h GLU 56 Ca 0.31 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.72 1s6u h GLU 56 Cb -0.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1s6u h GLU 56 CO -0.06 0.33 -0.50 0.52 -2.18 0.00 0.00 179.01 177.12 1s6u h MET 57 N 0.34 -0.73 0.30 1.92 2.86 -1.36 0.14 114.93 118.41 1s6u h MET 57 Ca 0.10 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1s6u h MET 57 Cb 0.05 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1s6u h MET 57 CO -0.02 -0.49 -0.30 -0.22 1.06 0.00 0.00 176.91 176.95 1s6u h LYS 58 N -0.76 -0.61 -0.62 1.72 3.64 -0.91 0.15 116.57 119.19 1s6u h LYS 58 Ca -0.02 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1s6u h LYS 58 Cb 0.74 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.58 1s6u h LYS 58 CO -0.24 -0.40 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.00 1s6u h LYS 59 N -0.63 -0.13 -0.14 1.90 3.11 -0.20 0.60 116.57 121.09 1s6u h LYS 59 Ca -0.01 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1s6u h LYS 59 Cb 0.57 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1s6u h LYS 59 CO -0.06 -0.09 0.06 1.96 -2.81 0.00 0.00 179.45 178.51 1s6u h GLN 60 N -0.14 0.12 0.34 1.90 1.08 -0.38 -1.10 115.11 116.95 1s6u h GLN 60 Ca 0.25 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1s6u h GLN 60 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1s6u h GLN 60 CO -0.70 0.08 -0.17 0.82 -0.95 0.00 0.00 178.83 177.92 1s6u h ILE 61 N 0.13 0.00 -1.06 2.54 2.04 0.11 -3.13 117.51 118.13 1s6u h ILE 61 Ca 0.06 -0.51 0.28 0.00 1.00 0.00 0.00 64.86 65.69 1s6u h ILE 61 Cb 0.02 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.00 1s6u h ILE 61 CO -0.05 0.00 0.67 -0.33 0.00 0.00 0.00 178.15 178.44 1s6u h GLU 62 N -0.97 0.38 -0.61 2.37 5.08 0.05 0.71 114.58 121.59 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 0.35 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1s6u h GLU 62 CO 0.08 0.25 0.41 0.00 -1.00 0.00 0.00 179.01 178.75 1s6u h ALA 63 N 1.65 2.07 -0.62 3.43 0.00 -1.14 0.17 119.26 124.81 1s6u h ALA 63 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1s6u h ALA 63 Cb 1.58 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1s6u h ALA 63 CO -0.35 -0.21 0.39 0.52 0.00 0.00 0.00 179.25 179.60 1s6u h MET 64 N 0.38 0.83 0.00 0.00 2.86 -0.81 -3.47 114.93 114.71 1s6u h MET 64 Ca 0.29 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1s6u h MET 64 Cb 0.62 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1s6u h MET 64 CO -0.08 0.57 0.00 0.41 1.06 0.00 0.00 176.91 178.87 1s6u n GLY 65 N -1.22 1.06 3.63 8.32 0.00 0.61 -5.12 105.19 112.48 1s6u n GLY 65 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.31 2.37 0.31 1.61 0.08 -1.25 -4.94 117.98 115.85 1s6u s PHE 66 Ca 0.00 0.68 -0.29 0.00 0.12 0.00 0.00 56.93 57.44 1s6u s PHE 66 Cb 0.00 -3.92 -0.10 0.00 -0.57 0.00 0.00 43.02 38.43 1s6u s PHE 66 CO 0.00 -2.43 1.25 -1.25 -0.10 0.00 0.00 175.22 172.69 1s6u s PRO 67 N 4.37 4.44 -0.01 0.24 0.04 -1.26 -3.65 135.00 139.17 1s6u s PRO 67 Ca 0.65 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.79 1s6u s PRO 67 Cb -0.22 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1s6u s PRO 67 CO 0.26 -0.08 -0.04 0.00 0.04 0.00 0.00 177.00 177.17 1s6u s ALA 68 N -1.03 0.42 -0.84 8.56 0.00 -1.26 -3.15 121.76 124.46 1s6u s ALA 68 Ca 0.48 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1s6u s ALA 68 Cb -0.37 -0.15 0.22 0.00 0.00 0.00 0.00 23.12 22.81 1s6u s ALA 68 CO 0.48 0.08 0.75 1.19 0.00 0.00 0.00 175.76 178.26 1s6u n PHE 69 N 3.16 3.85 -1.50 0.00 3.72 0.61 -4.94 117.46 122.36 1s6u n PHE 69 Ca -0.15 -4.10 -0.52 0.00 -0.05 0.00 0.00 57.45 52.63 1s6u n PHE 69 Cb 0.57 -0.97 -0.07 0.00 -0.94 0.00 0.00 39.48 38.07 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1s6u n VAL 70 N 2.02 0.23 -2.83 -4.37 3.14 -1.26 -1.52 118.33 113.74 1s6u n VAL 70 Ca 0.22 -0.21 -0.11 0.00 -2.96 0.00 0.00 64.34 61.28 1s6u n VAL 70 Cb 0.37 -1.58 0.06 0.00 -1.06 0.00 0.00 33.84 31.63 1s6u n VAL 70 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1s6u n LYS 71 N 7.68 1.01 -3.52 1.45 2.85 -0.67 -4.96 118.16 122.02 1s6u n LYS 71 Ca 0.38 -2.25 -0.12 0.00 -1.05 0.00 0.00 58.31 55.27 1s6u n LYS 71 Cb 0.22 -1.16 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 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 -0.35 1.17 -0.40 -1.58 2.47 -1.20 -4.90 119.74 114.96 1s6u s LYS 72 Ca 0.26 -0.51 0.10 0.00 -1.56 0.00 0.00 55.97 54.26 1s6u s LYS 72 Cb 0.31 0.53 0.37 0.00 -1.46 0.00 0.00 37.83 37.58 1s6u s LYS 72 CO -0.06 -0.48 1.05 1.51 0.16 0.00 0.00 175.35 177.53 1s6u n ILE 73 N -0.20 0.13 -1.83 5.43 0.13 -1.26 -4.16 119.36 117.60 1s6u n ILE 73 Ca -0.17 -2.54 -0.41 0.00 -1.10 0.00 0.00 62.75 58.53 1s6u n ILE 73 Cb 0.64 0.80 -0.00 0.00 -0.84 0.00 0.00 39.64 40.23 1s6u n ILE 73 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s6u n GLU 74 N 0.04 3.35 -1.25 9.51 1.02 -0.87 -4.86 120.64 127.58 1s6u n GLU 74 Ca 0.09 -2.84 -0.33 0.00 -0.02 0.00 0.00 57.16 54.06 1s6u n GLU 74 Cb 0.75 -3.05 0.11 0.00 -0.02 0.00 0.00 31.44 29.22 1s6u n GLU 74 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1s6u s GLY 75 N 2.17 2.04 0.00 0.62 0.00 -1.26 -3.82 107.32 107.07 1s6u s GLY 75 Ca 0.50 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1s6u s GLY 75 CO -0.06 1.06 0.00 -2.13 0.00 0.00 0.00 173.10 171.97