#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 -1.89 -3.09 1.61 -0.58 -1.26 -4.68 120.64 110.75 1s6u n GLU 2 Ca 0.00 -1.31 -0.41 0.00 -0.42 0.00 0.00 57.16 55.02 1s6u n GLU 2 Cb 0.00 -1.07 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 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 -2.64 4.89 -0.19 2.62 1.01 0.16 -4.55 120.40 121.71 1s6u s VAL 3 Ca 0.51 0.76 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 1s6u s VAL 3 Cb -0.04 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1s6u s VAL 3 CO 0.38 -0.24 0.55 -0.69 0.00 0.00 0.00 175.10 175.09 1s6u s VAL 4 N 2.71 5.09 -0.11 2.92 1.01 -1.26 -1.20 120.40 129.56 1s6u s VAL 4 Ca 0.26 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1s6u s VAL 4 Cb -0.15 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1s6u s VAL 4 CO 0.13 0.17 -0.17 -0.76 0.00 0.00 0.00 175.10 174.48 1s6u s LEU 5 N 1.64 2.53 -0.24 3.92 2.01 0.50 -2.83 118.68 126.22 1s6u s LEU 5 Ca 0.26 -0.37 -0.03 0.00 0.01 0.00 0.00 54.13 54.00 1s6u s LEU 5 Cb -0.16 -1.54 0.01 0.00 0.01 0.00 0.00 46.19 44.52 1s6u s LEU 5 CO 0.10 0.20 -0.06 -0.75 1.01 0.00 0.00 176.35 176.85 1s6u s LYS 6 N 0.15 3.04 -0.17 1.70 2.47 -1.22 -0.58 119.74 125.14 1s6u s LYS 6 Ca -0.09 -0.85 0.00 0.00 -1.56 0.00 0.00 55.97 53.48 1s6u s LYS 6 Cb -0.15 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1s6u s LYS 6 CO 0.05 -0.32 -0.15 -1.64 0.16 0.00 0.00 175.35 173.45 1s6u s MET 7 N 1.38 3.17 0.05 4.03 -1.94 0.08 -2.01 119.30 124.07 1s6u s MET 7 Ca 0.03 -0.76 -0.31 0.00 -1.71 0.00 0.00 55.69 52.94 1s6u s MET 7 Cb -0.16 -2.65 -0.06 0.00 2.01 0.00 0.00 34.83 33.98 1s6u s MET 7 CO -0.04 -0.06 1.22 0.15 -0.01 0.00 0.00 175.02 176.27 1s6u s LYS 8 N 1.00 4.41 0.14 2.03 3.01 -1.02 0.01 119.74 129.33 1s6u s LYS 8 Ca -0.02 1.79 0.09 0.00 -1.01 0.00 0.00 55.97 56.82 1s6u s LYS 8 Cb -0.15 -3.37 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 1s6u s LYS 8 CO -0.03 -0.29 -0.16 0.14 0.51 0.00 0.00 175.35 175.51 1s6u s VAL 9 N 1.20 2.92 -0.05 3.17 -7.23 0.18 -0.11 120.40 120.47 1s6u s VAL 9 Ca 0.59 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1s6u s VAL 9 Cb -0.30 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1s6u s VAL 9 CO 0.29 0.03 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.40 1s6u s GLU 10 N -2.35 2.62 0.00 4.82 2.02 -1.21 -4.70 118.70 119.90 1s6u s GLU 10 Ca 0.20 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1s6u s GLU 10 Cb -0.10 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1s6u s GLU 10 CO 0.11 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1s6u n GLY 11 N 2.15 2.73 3.27 -1.39 0.00 -1.26 -4.62 105.19 106.07 1s6u n GLY 11 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 2.54 -1.25 1.61 2.81 -1.26 -4.69 117.12 114.89 1s6u n MET 12 Ca 0.00 -2.72 -0.15 0.00 -1.81 0.00 0.00 57.70 53.02 1s6u n MET 12 Cb 0.00 -3.40 0.13 0.00 -0.71 0.00 0.00 33.22 29.24 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 6.24 2.75 -3.62 2.03 -1.04 -1.26 -4.81 114.28 114.57 1s6u n THR 13 Ca 0.49 -3.18 -0.11 0.00 -2.04 0.00 0.00 64.05 59.21 1s6u n THR 13 Cb 0.43 -0.69 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.06 1.92 0.12 0.00 8.25 -1.26 -3.53 115.22 120.65 1s6u n HIS 15 Ca -0.17 -2.42 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 1s6u n HIS 15 Cb 0.63 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.71 1s6u n HIS 15 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1s6u n SER 16 N 4.34 -0.96 0.01 0.41 2.88 -1.26 -4.78 113.62 114.25 1s6u n SER 16 Ca 0.58 0.42 -0.10 0.00 -1.33 0.00 0.00 58.87 58.44 1s6u n SER 16 Cb 0.20 1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.69 1s6u n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6u n THR 18 N -5.37 0.00 -0.23 0.00 -2.24 -1.23 -1.74 114.28 103.46 1s6u n THR 18 Ca -0.03 1.49 0.03 0.00 -2.27 0.00 0.00 64.05 63.28 1s6u n THR 18 Cb 0.28 -2.32 0.15 0.00 -2.10 0.00 0.00 70.33 66.35 1s6u n THR 18 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s6u h SER 19 N 0.00 0.13 -0.50 3.42 0.87 -1.79 0.16 113.55 115.84 1s6u h SER 19 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1s6u h SER 19 Cb 0.00 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1s6u h SER 19 CO 0.00 0.05 0.33 0.74 -0.53 0.00 0.00 176.83 177.41 1s6u h THR 20 N 0.35 1.14 -0.07 2.23 2.02 -0.65 0.13 112.91 118.05 1s6u h THR 20 Ca 0.37 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1s6u h THR 20 Cb 0.57 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1s6u h THR 20 CO -0.42 0.13 0.04 0.40 0.37 0.00 0.00 175.52 176.05 1s6u h ILE 21 N 0.68 1.06 -0.50 3.11 2.04 -0.26 0.11 117.51 123.75 1s6u h ILE 21 Ca 0.18 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1s6u h ILE 21 Cb -0.06 1.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.94 1s6u h ILE 21 CO -0.04 0.05 -0.21 -0.33 0.00 0.00 0.00 178.15 177.62 1s6u h GLU 22 N 0.06 -0.09 0.72 2.37 5.08 -0.12 0.26 114.58 122.85 1s6u h GLU 22 Ca 0.03 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1s6u h GLU 22 Cb 0.04 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s6u h GLU 22 CO -0.00 -0.06 -0.42 0.78 -1.00 0.00 0.00 179.01 178.31 1s6u h GLY 23 N -0.10 -1.15 0.79 -3.84 0.00 -0.61 0.67 103.07 98.83 1s6u h GLY 23 Ca 0.23 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 1s6u h GLY 23 CO -0.56 -0.40 -0.09 1.70 0.00 0.00 0.00 176.54 177.18 1s6u h LYS 24 N -1.06 -0.25 0.00 4.80 1.63 -0.13 -2.86 116.57 118.69 1s6u h LYS 24 Ca -0.09 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 1s6u h LYS 24 Cb 0.85 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1s6u h LYS 24 CO 0.11 -0.00 -0.36 0.82 -3.45 0.00 0.00 179.45 176.57 1s6u h ILE 25 N -0.48 0.98 -0.87 2.00 1.08 -0.62 -0.34 117.51 119.25 1s6u h ILE 25 Ca -0.03 -1.38 0.22 0.00 -0.39 0.00 0.00 64.86 63.29 1s6u h ILE 25 Cb 0.37 1.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 1s6u h ILE 25 CO 0.04 0.35 0.60 1.23 -0.69 0.00 0.00 178.15 179.69 1s6u h GLY 26 N 1.64 0.45 0.47 5.37 0.00 -0.62 -3.07 103.07 107.31 1s6u h GLY 26 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1s6u h GLY 26 CO 0.05 -0.01 -0.03 1.17 0.00 0.00 0.00 176.54 177.72 1s6u n LYS 27 N -4.40 1.14 -1.86 4.80 4.81 -0.14 -4.79 118.16 117.72 1s6u n LYS 27 Ca 0.18 -0.40 -0.33 0.00 -0.87 0.00 0.00 58.31 56.89 1s6u n LYS 27 Cb 0.81 -1.49 0.04 0.00 0.02 0.00 0.00 35.03 34.40 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 -2.14 3.46 -1.41 3.14 1.43 -1.16 -4.93 118.68 117.07 1s6u s LEU 28 Ca 0.39 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1s6u s LEU 28 Cb 0.21 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.95 1s6u s LEU 28 CO 0.39 -1.54 2.16 0.00 0.23 0.00 0.00 176.35 177.60 1s6u n GLN 29 N -2.20 3.14 0.00 1.70 10.64 -1.26 -3.58 117.38 125.83 1s6u n GLN 29 Ca 0.10 -2.87 0.00 0.00 -1.83 0.00 0.00 57.00 52.41 1s6u n GLN 29 Cb 0.52 -3.15 0.00 0.00 -0.86 0.00 0.00 30.24 26.75 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 3.65 0.00 3.54 2.61 0.00 -1.26 -4.42 105.19 109.32 1s6u n GLY 30 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 3.42 -0.11 1.61 1.01 -1.23 -0.81 120.40 124.28 1s6u s VAL 31 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1s6u s VAL 31 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1s6u s VAL 31 CO 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 1s6u n GLN 32 N 2.05 0.25 -4.01 2.72 1.13 -0.14 -4.84 117.38 114.54 1s6u n GLN 32 Ca -0.17 0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 54.88 1s6u n GLN 32 Cb 0.53 -1.06 -0.07 0.00 0.11 0.00 0.00 30.24 29.75 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 1.24 -0.22 -1.09 6.06 0.09 -5.04 118.95 117.79 1s6u s ARG 33 Ca -0.15 -1.26 -0.14 0.00 -2.50 0.00 0.00 55.73 51.68 1s6u s ARG 33 Cb 0.05 0.38 0.07 0.00 0.06 0.00 0.00 34.95 35.50 1s6u s ARG 33 CO 0.22 -0.46 0.55 -1.50 -2.50 0.00 0.00 175.30 171.61 1s6u s ILE 34 N -4.01 -0.01 -0.02 4.11 2.07 -1.26 -0.75 121.20 121.33 1s6u s ILE 34 Ca 0.22 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1s6u s ILE 34 Cb 0.03 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.85 1s6u s ILE 34 CO 0.04 0.02 0.02 -0.54 -1.91 0.00 0.00 174.94 172.56 1s6u s LYS 35 N 1.29 0.08 -0.38 3.50 -0.14 0.12 -4.98 119.74 119.24 1s6u s LYS 35 Ca -0.08 0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.72 1s6u s LYS 35 Cb -0.06 -0.33 0.11 0.00 -1.68 0.00 0.00 37.83 35.86 1s6u s LYS 35 CO -0.13 -0.16 0.10 0.08 -0.76 0.00 0.00 175.35 174.47 1s6u s VAL 36 N 1.07 2.41 -1.05 3.17 1.01 -1.26 0.70 120.40 126.46 1s6u s VAL 36 Ca -0.09 -2.48 -0.21 0.00 0.00 0.00 0.00 61.98 59.20 1s6u s VAL 36 Cb -0.13 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 1s6u s VAL 36 CO -0.03 -0.64 1.95 -1.20 0.00 0.00 0.00 175.10 175.18 1s6u n SER 37 N 4.09 3.14 -0.31 3.32 7.64 0.16 -4.79 113.62 126.87 1s6u n SER 37 Ca 0.04 -2.73 0.07 0.00 1.01 0.00 0.00 58.87 57.25 1s6u n SER 37 Cb 0.40 -1.44 0.15 0.00 -1.01 0.00 0.00 64.21 62.31 1s6u n SER 37 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s6u n LEU 38 N 9.39 -0.27 -0.11 -3.43 0.00 -1.26 -0.75 117.00 120.57 1s6u n LEU 38 Ca 0.49 1.49 -0.09 0.00 0.00 0.00 0.00 56.01 57.89 1s6u n LEU 38 Cb 0.43 -0.47 -0.04 0.00 0.00 0.00 0.00 43.42 43.34 1s6u n LEU 38 CO 0.89 -1.45 0.60 0.44 0.00 0.00 0.00 177.39 177.87 1s6u h ASP 39 N 0.00 -1.28 0.14 1.96 5.19 -1.92 0.15 116.42 120.67 1s6u h ASP 39 Ca 0.44 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1s6u h ASP 39 Cb 0.74 0.57 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1s6u h ASP 39 CO -0.88 -0.36 -0.14 -3.20 -3.12 0.00 0.00 179.24 171.54 1s6u n ASN 40 N -5.42 1.16 -3.60 6.45 2.85 -0.89 -4.95 115.26 110.86 1s6u n ASN 40 Ca -0.00 -1.11 -0.23 0.00 -0.11 0.00 0.00 54.58 53.13 1s6u n ASN 40 Cb 0.35 0.07 0.04 0.00 1.24 0.00 0.00 39.78 41.48 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 -0.35 -3.46 -5.05 1.20 7.27 0.53 -4.90 117.38 112.62 1s6u n GLN 41 Ca 0.15 0.63 -0.28 0.00 0.07 0.00 0.00 57.00 57.57 1s6u n GLN 41 Cb 0.34 -5.05 -0.16 0.00 2.41 0.00 0.00 30.24 27.78 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 -5.64 2.06 -0.38 3.69 2.56 -0.45 -0.65 118.70 119.90 1s6u s GLU 42 Ca 0.22 -0.76 -0.07 0.00 0.00 0.00 0.00 54.97 54.36 1s6u s GLU 42 Cb -0.06 -1.81 0.06 0.00 2.00 0.00 0.00 34.13 34.33 1s6u s GLU 42 CO 0.81 0.34 0.18 0.00 -0.56 0.00 0.00 175.26 176.03 1s6u s ALA 43 N -0.16 3.16 -1.08 6.30 0.00 0.10 0.36 121.76 130.44 1s6u s ALA 43 Ca -0.01 -1.99 -0.21 0.00 0.00 0.00 0.00 51.96 49.75 1s6u s ALA 43 Cb -0.12 -2.45 0.07 0.00 0.00 0.00 0.00 23.12 20.62 1s6u s ALA 43 CO 0.02 -1.51 1.48 0.99 0.00 0.00 0.00 175.76 176.74 1s6u s THR 44 N 1.39 4.10 -0.18 0.00 2.01 0.22 -0.74 115.64 122.44 1s6u s THR 44 Ca 0.01 -1.20 -0.19 0.00 0.31 0.00 0.00 61.69 60.62 1s6u s THR 44 Cb -0.21 -5.06 -0.03 0.00 0.01 0.00 0.00 72.50 67.21 1s6u s THR 44 CO 0.02 -1.90 0.56 -0.63 -0.69 0.00 0.00 174.62 171.98 1s6u s ILE 45 N 4.41 5.09 -0.34 1.82 -1.09 0.26 0.14 121.20 131.49 1s6u s ILE 45 Ca 0.46 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 1s6u s ILE 45 Cb 0.00 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 37.10 1s6u s ILE 45 CO -0.05 0.18 0.07 -0.69 -1.23 0.00 0.00 174.94 173.22 1s6u s VAL 46 N 1.51 1.85 0.28 2.92 1.01 0.08 -0.37 120.40 127.68 1s6u s VAL 46 Ca 0.27 -2.08 0.11 0.00 0.00 0.00 0.00 61.98 60.28 1s6u s VAL 46 Cb -0.16 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1s6u s VAL 46 CO 0.10 -0.63 -0.15 -0.72 0.00 0.00 0.00 175.10 173.70 1s6u s TYR 47 N 1.09 2.39 -0.01 5.22 -0.85 -0.34 -0.73 117.35 124.12 1s6u s TYR 47 Ca 0.11 -0.30 -0.27 0.00 -0.52 0.00 0.00 57.07 56.09 1s6u s TYR 47 Cb -0.19 -1.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.07 1s6u s TYR 47 CO -0.13 0.69 0.85 -0.65 -1.52 0.00 0.00 175.55 174.79 1s6u s GLN 48 N -3.55 4.52 0.98 -3.49 -0.21 0.01 -0.66 119.66 117.27 1s6u s GLN 48 Ca 0.30 1.18 -0.11 0.00 0.02 0.00 0.00 55.36 56.76 1s6u s GLN 48 Cb -0.05 -3.43 0.18 0.00 1.00 0.00 0.00 33.01 30.70 1s6u s GLN 48 CO 0.16 0.06 1.10 -1.25 -2.12 0.00 0.00 175.29 173.24 1s6u s PRO 49 N 0.70 0.50 0.00 2.91 0.04 -1.26 -3.41 135.00 134.48 1s6u s PRO 49 Ca 0.45 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1s6u s PRO 49 Cb -0.20 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1s6u s PRO 49 CO 0.24 -2.88 0.00 1.58 0.04 0.00 0.00 177.00 175.98 1s6u n HIS 50 N -4.37 0.00 -0.03 0.56 -0.00 -1.26 -4.61 115.22 105.51 1s6u n HIS 50 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 1s6u n HIS 50 Cb 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.43 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s6u h LEU 51 N 0.00 0.11 -8.84 0.27 3.38 -1.87 -3.48 115.31 104.89 1s6u h LEU 51 Ca 0.00 -0.50 -0.44 0.00 0.09 0.00 0.00 57.88 57.03 1s6u h LEU 51 Cb 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 1s6u h LEU 51 CO 0.00 0.59 -0.42 -0.51 0.09 0.00 0.00 178.44 178.19 1s6u s ILE 52 N -4.20 0.00 0.16 1.22 1.10 -1.24 -4.73 121.20 113.51 1s6u s ILE 52 Ca -0.15 -1.91 -0.10 0.00 -0.51 0.00 0.00 60.65 57.97 1s6u s ILE 52 Cb 0.02 -2.54 -0.00 0.00 0.15 0.00 0.00 42.46 40.09 1s6u s ILE 52 CO 0.70 0.00 0.31 -0.94 -2.11 0.00 0.00 174.94 172.89 1s6u s SER 53 N -3.36 0.00 0.27 4.50 1.04 -1.26 -4.72 113.70 110.18 1s6u s SER 53 Ca 0.39 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1s6u s SER 53 Cb 0.02 0.44 0.61 0.00 0.10 0.00 0.00 66.02 67.19 1s6u s SER 53 CO 0.27 -0.89 1.65 0.58 0.98 0.00 0.00 173.24 175.83 1s6u h VAL 54 N 2.52 0.34 -0.63 5.02 2.07 -2.00 -1.84 116.25 121.74 1s6u h VAL 54 Ca -0.32 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1s6u h VAL 54 Cb 1.23 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1s6u h VAL 54 CO 0.48 0.03 0.29 -0.08 0.02 0.00 0.00 177.57 178.32 1s6u h GLU 55 N 0.19 0.91 0.43 1.57 4.57 -1.98 0.23 114.58 120.50 1s6u h GLU 55 Ca 0.50 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1s6u h GLU 55 Cb 0.96 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1s6u h GLU 55 CO -0.64 0.73 -0.21 0.93 -1.18 0.00 0.00 179.01 178.64 1s6u h GLU 56 N 0.86 -0.56 -0.23 1.92 4.39 -1.77 0.34 114.58 119.53 1s6u h GLU 56 Ca 0.21 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1s6u h GLU 56 Cb 0.13 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1s6u h GLU 56 CO -0.03 -0.35 -0.28 0.52 -1.16 0.00 0.00 179.01 177.72 1s6u h MET 57 N -0.62 -0.17 0.44 2.33 2.86 -1.10 0.10 114.93 118.77 1s6u h MET 57 Ca -0.06 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1s6u h MET 57 Cb 0.47 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1s6u h MET 57 CO 0.10 -0.11 -0.38 -0.22 1.06 0.00 0.00 176.91 177.36 1s6u h LYS 58 N -0.18 -0.79 -0.77 1.72 3.11 -0.44 0.24 116.57 119.46 1s6u h LYS 58 Ca 0.04 0.05 0.18 0.00 -2.81 0.00 0.00 60.65 58.11 1s6u h LYS 58 Cb 0.28 0.18 -0.13 0.00 -1.00 0.00 0.00 32.23 31.56 1s6u h LYS 58 CO -0.31 -0.53 0.02 -0.22 -2.81 0.00 0.00 179.45 175.60 1s6u h LYS 59 N -0.82 0.11 -0.45 1.90 3.11 -0.23 0.68 116.57 120.86 1s6u h LYS 59 Ca -0.04 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1s6u h LYS 59 Cb 0.71 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1s6u h LYS 59 CO -0.02 0.07 -0.01 1.96 -2.81 0.00 0.00 179.45 178.64 1s6u h GLN 60 N 0.11 0.80 0.28 1.90 1.08 -0.35 -0.72 115.11 118.20 1s6u h GLN 60 Ca 0.42 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1s6u h GLN 60 Cb 0.75 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1s6u h GLN 60 CO -0.67 0.86 -0.13 0.82 -0.95 0.00 0.00 178.83 178.77 1s6u h ILE 61 N 0.64 0.00 -1.01 2.54 2.04 0.19 -3.19 117.51 118.72 1s6u h ILE 61 Ca 0.13 -0.23 0.31 0.00 1.00 0.00 0.00 64.86 66.07 1s6u h ILE 61 Cb 0.51 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.45 1s6u h ILE 61 CO 0.02 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.68 1s6u h GLU 62 N -0.60 0.35 -0.69 2.37 4.81 0.16 0.10 114.58 121.09 1s6u h GLU 62 Ca -0.04 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1s6u h GLU 62 Cb 0.28 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1s6u h GLU 62 CO 0.06 0.23 0.47 0.00 -0.73 0.00 0.00 179.01 179.04 1s6u h ALA 63 N 1.82 2.22 -0.85 2.92 0.00 -1.12 0.18 119.26 124.43 1s6u h ALA 63 Ca 0.72 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.67 1s6u h ALA 63 Cb 1.62 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1s6u h ALA 63 CO -0.58 -0.41 0.54 0.52 0.00 0.00 0.00 179.25 179.33 1s6u h MET 64 N 0.30 0.99 0.00 0.00 2.86 -0.78 -3.47 114.93 114.83 1s6u h MET 64 Ca 0.33 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1s6u h MET 64 Cb 0.89 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1s6u h MET 64 CO -0.08 0.66 0.00 0.41 1.06 0.00 0.00 176.91 178.95 1s6u n GLY 65 N -1.33 0.96 3.63 8.32 0.00 0.62 -5.12 105.19 112.27 1s6u n GLY 65 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 3.19 0.64 1.61 0.08 -1.25 -4.99 117.98 117.04 1s6u s PHE 66 Ca 0.00 1.11 -0.17 0.00 0.12 0.00 0.00 56.93 57.98 1s6u s PHE 66 Cb 0.00 -3.50 -0.01 0.00 -0.57 0.00 0.00 43.02 38.94 1s6u s PHE 66 CO 0.00 -0.67 1.20 -1.25 -0.10 0.00 0.00 175.22 174.40 1s6u s PRO 67 N 3.39 2.72 -0.06 0.24 0.04 -1.26 -3.73 135.00 136.34 1s6u s PRO 67 Ca 0.41 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1s6u s PRO 67 Cb -0.13 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1s6u s PRO 67 CO 0.13 -1.39 0.15 0.00 0.04 0.00 0.00 177.00 175.93 1s6u s ALA 68 N -1.75 -0.36 -0.92 8.56 0.00 -1.26 -3.34 121.76 122.69 1s6u s ALA 68 Ca 0.76 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 1s6u s ALA 68 Cb -0.29 -0.26 0.26 0.00 0.00 0.00 0.00 23.12 22.82 1s6u s ALA 68 CO 0.37 -0.08 1.00 1.19 0.00 0.00 0.00 175.76 178.25 1s6u n PHE 69 N 3.11 3.72 -1.73 0.00 3.01 0.84 -4.90 117.46 121.51 1s6u n PHE 69 Ca -0.14 -3.70 -0.40 0.00 1.01 0.00 0.00 57.45 54.22 1s6u n PHE 69 Cb 0.58 -1.12 -0.03 0.00 -0.01 0.00 0.00 39.48 38.90 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 -1.97 3.15 -0.42 -4.37 0.11 -1.26 -2.42 120.40 113.22 1s6u s VAL 70 Ca 0.31 0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.58 1s6u s VAL 70 Cb 0.00 -3.27 0.35 0.00 -1.53 0.00 0.00 36.38 31.94 1s6u s VAL 70 CO -0.04 -0.21 1.11 2.29 -3.33 0.00 0.00 175.10 174.92 1s6u n LYS 71 N 8.83 1.07 -3.66 1.54 2.85 -0.85 -4.98 118.16 122.96 1s6u n LYS 71 Ca 0.29 -2.20 -0.15 0.00 -1.05 0.00 0.00 58.31 55.21 1s6u n LYS 71 Cb 0.49 -0.89 -0.08 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 -0.37 0.75 -0.46 -1.58 1.02 -1.24 -4.93 119.74 112.93 1s6u s LYS 72 Ca 0.25 0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.79 1s6u s LYS 72 Cb 0.34 0.36 0.31 0.00 -0.52 0.00 0.00 37.83 38.31 1s6u s LYS 72 CO -0.06 -0.16 0.73 -0.89 -0.92 0.00 0.00 175.35 174.05 1s6u n ILE 73 N 2.03 0.79 -2.71 2.17 -0.00 -1.26 -3.36 119.36 117.02 1s6u n ILE 73 Ca -0.16 -4.75 -0.42 0.00 -0.00 0.00 0.00 62.75 57.41 1s6u n ILE 73 Cb 0.56 -1.23 -0.03 0.00 -0.00 0.00 0.00 39.64 38.94 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 -2.34 3.55 0.08 0.38 -6.30 -1.13 -4.91 118.70 108.03 1s6u s GLU 74 Ca 0.41 -1.30 -0.01 0.00 -2.50 0.00 0.00 54.97 51.57 1s6u s GLU 74 Cb 0.26 -5.08 0.00 0.00 0.00 0.00 0.00 34.13 29.31 1s6u s GLU 74 CO -0.09 -2.03 0.12 0.41 0.02 0.00 0.00 175.26 173.69 1s6u n GLY 75 N 6.22 2.74 0.60 -1.50 0.00 -1.26 -4.05 105.19 107.93 1s6u n GLY 75 Ca 0.26 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.99 1s6u n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86