#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 1.75 -0.01 1.61 8.01 -1.26 -4.89 118.70 123.90 1s6u s GLU 2 Ca 0.00 -2.03 0.05 0.00 0.01 0.00 0.00 54.97 53.01 1s6u s GLU 2 Cb 0.00 -0.27 -0.01 0.00 -4.31 0.00 0.00 34.13 29.53 1s6u s GLU 2 CO 0.00 -0.47 -0.17 0.08 0.01 0.00 0.00 175.26 174.70 1s6u s VAL 3 N -3.42 1.36 -0.27 2.63 1.01 0.36 -4.61 120.40 117.46 1s6u s VAL 3 Ca 0.32 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1s6u s VAL 3 Cb 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1s6u s VAL 3 CO 0.18 0.38 0.65 -0.69 0.00 0.00 0.00 175.10 175.61 1s6u s VAL 4 N -0.42 4.96 -0.21 2.92 1.01 0.34 -0.41 120.40 128.60 1s6u s VAL 4 Ca 0.07 1.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1s6u s VAL 4 Cb -0.07 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1s6u s VAL 4 CO -0.01 -0.02 0.37 -0.76 0.00 0.00 0.00 175.10 174.68 1s6u s LEU 5 N 2.56 4.15 -0.25 3.92 2.01 0.19 -0.52 118.68 130.73 1s6u s LEU 5 Ca 0.27 0.46 -0.07 0.00 0.01 0.00 0.00 54.13 54.79 1s6u s LEU 5 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 46.19 43.56 1s6u s LEU 5 CO 0.09 -0.06 0.08 -0.75 1.01 0.00 0.00 176.35 176.71 1s6u s LYS 6 N 1.30 3.67 -0.13 1.70 2.47 -1.24 -0.97 119.74 126.54 1s6u s LYS 6 Ca 0.18 -0.47 0.02 0.00 -1.56 0.00 0.00 55.97 54.14 1s6u s LYS 6 Cb -0.15 -3.34 0.00 0.00 -1.46 0.00 0.00 37.83 32.89 1s6u s LYS 6 CO 0.08 -0.18 -0.19 -1.64 0.16 0.00 0.00 175.35 173.57 1s6u s MET 7 N 1.60 3.13 0.03 4.03 -1.94 0.34 -2.16 119.30 124.34 1s6u s MET 7 Ca 0.06 -0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 52.93 1s6u s MET 7 Cb -0.15 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1s6u s MET 7 CO 0.04 0.07 1.05 0.15 -0.01 0.00 0.00 175.02 176.32 1s6u s LYS 8 N 0.64 4.53 -0.03 2.03 3.01 -1.00 -0.02 119.74 128.90 1s6u s LYS 8 Ca -0.10 1.54 0.06 0.00 -1.01 0.00 0.00 55.97 56.46 1s6u s LYS 8 Cb -0.16 -3.41 -0.01 0.00 -1.01 0.00 0.00 37.83 33.23 1s6u s LYS 8 CO 0.02 -0.09 -0.21 0.14 0.51 0.00 0.00 175.35 175.73 1s6u s VAL 9 N 0.90 1.68 0.02 3.17 -7.23 -0.21 -0.05 120.40 118.67 1s6u s VAL 9 Ca 0.53 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1s6u s VAL 9 Cb -0.24 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1s6u s VAL 9 CO 0.29 0.47 0.08 -1.61 -0.31 0.00 0.00 175.10 174.02 1s6u s GLU 10 N -0.35 3.01 0.00 4.82 8.01 -1.23 -4.51 118.70 128.45 1s6u s GLU 10 Ca 0.04 -0.54 0.00 0.00 0.01 0.00 0.00 54.97 54.48 1s6u s GLU 10 Cb -0.10 -2.82 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 1s6u s GLU 10 CO 0.00 0.62 0.00 0.41 0.01 0.00 0.00 175.26 176.31 1s6u n GLY 11 N 1.00 3.07 3.56 -1.39 0.00 -1.26 -4.58 105.19 105.59 1s6u n GLY 11 Ca -0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 2.28 -0.50 1.61 -1.94 -1.26 -4.81 119.30 114.68 1s6u s MET 12 Ca 0.00 0.45 0.05 0.00 -1.71 0.00 0.00 55.69 54.48 1s6u s MET 12 Cb 0.00 -4.72 0.39 0.00 2.01 0.00 0.00 34.83 32.50 1s6u s MET 12 CO 0.00 -3.41 1.06 2.41 -0.01 0.00 0.00 175.02 175.07 1s6u n THR 13 N 7.91 2.68 -3.56 2.05 -1.04 -1.26 -4.87 114.28 116.19 1s6u n THR 13 Ca 0.35 -5.19 -0.07 0.00 -2.04 0.00 0.00 64.05 57.10 1s6u n THR 13 Cb 0.49 -1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 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 2.11 0.00 0.01 0.00 2.07 -2.00 -3.35 115.15 114.00 1s6u h HIS 15 Ca -0.15 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1s6u h HIS 15 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1s6u h HIS 15 CO 0.27 0.55 -0.01 0.77 -3.07 0.00 0.00 177.93 176.45 1s6u h SER 16 N 0.00 -0.02 -0.23 3.10 0.02 -1.98 -0.03 113.55 114.41 1s6u h SER 16 Ca -0.01 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1s6u h SER 16 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1s6u h SER 16 CO 0.07 -0.01 0.12 0.00 -1.14 0.00 0.00 176.83 175.87 1s6u h THR 18 N 0.25 0.17 -0.36 0.00 1.35 -1.69 0.13 112.91 112.76 1s6u h THR 18 Ca 0.09 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.98 1s6u h THR 18 Cb 0.02 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 1s6u h THR 18 CO -0.06 0.00 0.17 -1.28 -0.25 0.00 0.00 175.52 174.10 1s6u h SER 19 N -0.47 0.23 -0.39 5.36 0.87 -0.58 0.10 113.55 118.66 1s6u h SER 19 Ca 0.08 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1s6u h SER 19 Cb 0.61 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 1s6u h SER 19 CO -0.39 0.17 0.08 0.74 -0.53 0.00 0.00 176.83 176.90 1s6u h THR 20 N 0.34 0.80 -0.05 2.23 2.02 -0.19 0.18 112.91 118.25 1s6u h THR 20 Ca 0.16 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1s6u h THR 20 Cb 0.09 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1s6u h THR 20 CO -0.12 0.04 0.02 0.40 0.37 0.00 0.00 175.52 176.23 1s6u h ILE 21 N 0.20 1.11 -0.65 3.11 2.04 -0.44 0.68 117.51 123.56 1s6u h ILE 21 Ca 0.19 -0.31 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1s6u h ILE 21 Cb 0.22 1.22 -0.12 0.00 -0.74 0.00 0.00 36.82 37.40 1s6u h ILE 21 CO -0.25 0.09 -0.18 -0.33 0.00 0.00 0.00 178.15 177.48 1s6u h GLU 22 N -0.04 -0.02 0.76 2.37 5.08 -0.26 0.16 114.58 122.63 1s6u h GLU 22 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1s6u h GLU 22 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1s6u h GLU 22 CO -0.00 -0.01 -0.46 0.78 -1.00 0.00 0.00 179.01 178.32 1s6u h GLY 23 N -0.02 -1.25 0.69 -3.84 0.00 -0.26 0.27 103.07 98.66 1s6u h GLY 23 Ca 0.31 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.13 1s6u h GLY 23 CO -0.68 -0.43 -0.40 1.70 0.00 0.00 0.00 176.54 176.73 1s6u h LYS 24 N -1.14 -0.86 -0.08 4.80 3.11 -0.25 -2.73 116.57 119.42 1s6u h LYS 24 Ca -0.10 0.06 -0.12 0.00 -2.81 0.00 0.00 60.65 57.68 1s6u h LYS 24 Cb 0.91 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1s6u h LYS 24 CO 0.11 -0.57 -0.48 0.82 -2.81 0.00 0.00 179.45 176.51 1s6u h ILE 25 N -0.89 1.34 -0.94 2.00 1.08 -0.79 -1.88 117.51 117.43 1s6u h ILE 25 Ca -0.05 -1.69 0.25 0.00 -0.39 0.00 0.00 64.86 62.98 1s6u h ILE 25 Cb 0.76 1.82 -0.05 0.00 -3.07 0.00 0.00 36.82 36.28 1s6u h ILE 25 CO -0.00 0.50 0.65 1.23 -0.69 0.00 0.00 178.15 179.83 1s6u h GLY 26 N 1.35 0.45 -0.46 5.37 0.00 -0.20 0.53 103.07 110.10 1s6u h GLY 26 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1s6u h GLY 26 CO 0.07 -0.02 0.00 1.17 0.00 0.00 0.00 176.54 177.76 1s6u n LYS 27 N -4.39 1.53 -1.96 4.80 4.81 -0.71 -4.89 118.16 117.35 1s6u n LYS 27 Ca 0.20 -0.80 -0.34 0.00 -0.87 0.00 0.00 58.31 56.50 1s6u n LYS 27 Cb 0.89 -1.36 0.03 0.00 0.02 0.00 0.00 35.03 34.61 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 -1.55 3.54 0.07 3.14 1.43 0.17 -5.02 118.68 120.46 1s6u s LEU 28 Ca 0.30 2.08 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 1s6u s LEU 28 Cb 0.16 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1s6u s LEU 28 CO 0.24 -1.47 0.82 -1.58 0.23 0.00 0.00 176.35 174.59 1s6u s GLN 29 N -3.75 4.55 0.00 1.70 0.74 -1.26 -4.19 119.66 117.46 1s6u s GLN 29 Ca 0.70 1.17 0.00 0.00 0.05 0.00 0.00 55.36 57.28 1s6u s GLN 29 Cb -0.22 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.52 1s6u s GLN 29 CO 0.35 0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.77 1s6u n GLY 30 N 2.34 1.26 3.28 2.59 0.00 -1.26 -4.64 105.19 108.75 1s6u n GLY 30 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 1.83 -0.14 1.61 1.01 -1.26 -0.82 120.40 120.62 1s6u s VAL 31 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 61.98 60.89 1s6u s VAL 31 Cb 0.00 -1.57 -0.17 0.00 0.00 0.00 0.00 36.38 34.64 1s6u s VAL 31 CO 0.00 0.30 0.04 0.00 0.00 0.00 0.00 175.10 175.44 1s6u n GLN 32 N 1.94 1.61 -3.74 2.72 10.64 -0.00 -4.97 117.38 125.58 1s6u n GLN 32 Ca -0.17 -0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 54.92 1s6u n GLN 32 Cb 0.53 -1.37 -0.02 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.35 1.61 -0.17 2.61 0.52 -1.13 -5.05 118.95 114.99 1s6u s ARG 33 Ca -0.08 -0.82 -0.20 0.00 -0.52 0.00 0.00 55.73 54.11 1s6u s ARG 33 Cb 0.04 0.59 0.05 0.00 0.52 0.00 0.00 34.95 36.15 1s6u s ARG 33 CO 0.58 -0.73 0.53 -1.50 0.02 0.00 0.00 175.30 174.21 1s6u s ILE 34 N -3.82 0.01 0.03 1.52 2.07 -1.26 -0.70 121.20 119.04 1s6u s ILE 34 Ca 0.08 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1s6u s ILE 34 Cb -0.04 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 1s6u s ILE 34 CO 0.01 -0.03 -0.03 -0.54 -1.91 0.00 0.00 174.94 172.44 1s6u s LYS 35 N -0.04 0.37 0.00 3.50 -0.14 0.78 -4.97 119.74 119.23 1s6u s LYS 35 Ca -0.03 -0.71 -0.01 0.00 -1.36 0.00 0.00 55.97 53.87 1s6u s LYS 35 Cb -0.03 0.10 -0.00 0.00 -1.68 0.00 0.00 37.83 36.21 1s6u s LYS 35 CO 0.02 -0.05 0.01 0.08 -0.76 0.00 0.00 175.35 174.65 1s6u s VAL 36 N -1.80 0.04 0.38 3.17 1.01 -1.26 0.10 120.40 122.04 1s6u s VAL 36 Ca -0.12 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1s6u s VAL 36 Cb -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1s6u s VAL 36 CO -0.02 -0.17 0.18 -0.44 0.00 0.00 0.00 175.10 174.64 1s6u s SER 37 N -0.50 4.55 0.08 3.32 0.01 0.58 -5.00 113.70 116.73 1s6u s SER 37 Ca -0.06 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1s6u s SER 37 Cb -0.04 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1s6u s SER 37 CO -0.00 -0.45 0.00 -0.11 0.41 0.00 0.00 173.24 173.09 1s6u n LEU 38 N -1.22 0.74 -0.13 2.44 7.94 -1.26 -3.70 117.00 121.81 1s6u n LEU 38 Ca -0.01 0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 54.88 1s6u n LEU 38 Cb 0.63 -0.22 -0.07 0.00 0.53 0.00 0.00 43.42 44.30 1s6u n LEU 38 CO 0.44 -0.54 0.54 0.44 -1.11 0.00 0.00 177.39 177.17 1s6u h ASP 39 N 0.00 -1.63 -0.41 1.96 5.19 -1.97 0.19 116.42 119.76 1s6u h ASP 39 Ca 0.00 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1s6u h ASP 39 Cb 0.29 0.69 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1s6u h ASP 39 CO 0.00 -0.39 0.00 -3.20 -3.12 0.00 0.00 179.24 172.53 1s6u n ASN 40 N -5.40 2.84 -3.41 6.45 5.15 -1.26 -4.96 115.26 114.67 1s6u n ASN 40 Ca -0.02 -2.19 -0.18 0.00 -0.60 0.00 0.00 54.58 51.60 1s6u n ASN 40 Cb 0.35 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1s6u n GLN 41 N 0.64 -0.87 -4.06 1.20 7.27 0.67 -4.88 117.38 117.36 1s6u n GLN 41 Ca 0.15 0.34 -0.13 0.00 0.07 0.00 0.00 57.00 57.44 1s6u n GLN 41 Cb 0.52 -1.30 -0.12 0.00 2.41 0.00 0.00 30.24 31.75 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 -4.27 0.45 -0.05 3.69 2.12 -1.24 -1.04 118.70 118.35 1s6u s GLU 42 Ca 0.05 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.81 1s6u s GLU 42 Cb -0.03 -0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.13 1s6u s GLU 42 CO 0.55 0.04 -0.15 0.00 -0.54 0.00 0.00 175.26 175.17 1s6u s ALA 43 N -1.12 1.39 -0.27 6.30 0.00 0.97 -0.31 121.76 128.72 1s6u s ALA 43 Ca -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1s6u s ALA 43 Cb -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1s6u s ALA 43 CO 0.00 0.22 0.00 0.99 0.00 0.00 0.00 175.76 176.97 1s6u s THR 44 N 0.22 3.32 -0.24 0.00 2.01 0.11 -0.50 115.64 120.57 1s6u s THR 44 Ca -0.07 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1s6u s THR 44 Cb -0.12 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.70 1s6u s THR 44 CO 0.03 0.11 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.31 1s6u s ILE 45 N 1.38 2.31 -0.79 1.82 1.09 -0.14 -0.16 121.20 126.71 1s6u s ILE 45 Ca 0.00 -1.33 -0.14 0.00 -1.10 0.00 0.00 60.65 58.08 1s6u s ILE 45 Cb -0.17 -2.22 0.21 0.00 -1.06 0.00 0.00 42.46 39.21 1s6u s ILE 45 CO -0.01 0.16 0.73 -0.69 -0.10 0.00 0.00 174.94 175.02 1s6u s VAL 46 N 1.20 5.55 0.34 2.92 1.01 0.12 -0.64 120.40 130.91 1s6u s VAL 46 Ca -0.03 -2.33 0.09 0.00 0.00 0.00 0.00 61.98 59.70 1s6u s VAL 46 Cb -0.18 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1s6u s VAL 46 CO -0.07 -1.01 0.01 -0.72 0.00 0.00 0.00 175.10 173.32 1s6u s TYR 47 N 0.37 2.54 -0.38 5.22 1.13 0.46 -0.82 117.35 125.86 1s6u s TYR 47 Ca 0.16 -0.45 -0.13 0.00 -1.41 0.00 0.00 57.07 55.24 1s6u s TYR 47 Cb -0.13 -1.50 0.02 0.00 -1.10 0.00 0.00 41.96 39.25 1s6u s TYR 47 CO -0.07 0.48 0.24 -1.14 -2.51 0.00 0.00 175.55 172.54 1s6u s GLN 48 N -3.72 3.00 -0.89 -3.49 0.74 -0.00 -0.49 119.66 114.80 1s6u s GLN 48 Ca 0.35 -0.98 -0.17 0.00 0.05 0.00 0.00 55.36 54.61 1s6u s GLN 48 Cb 0.00 -3.82 -0.11 0.00 1.10 0.00 0.00 33.01 30.18 1s6u s GLN 48 CO 0.19 -0.67 2.02 -0.35 -0.55 0.00 0.00 175.29 175.93 1s6u n PRO 49 N 5.07 1.82 0.00 1.67 -0.04 -1.26 -2.14 135.00 140.12 1s6u n PRO 49 Ca -0.12 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1s6u n PRO 49 Cb 0.47 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 6.52 -0.51 0.05 0.54 -0.00 -1.26 -4.96 115.22 115.59 1s6u n HIS 50 Ca 0.49 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.47 1s6u n HIS 50 Cb 0.34 0.10 -0.12 0.00 -0.12 0.00 0.00 29.99 30.19 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 0.70 -8.03 0.27 3.38 -1.76 -3.48 115.31 106.39 1s6u h LEU 51 Ca 0.00 -0.82 -0.09 0.00 0.09 0.00 0.00 57.88 57.06 1s6u h LEU 51 Cb 0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.41 1s6u h LEU 51 CO 0.00 1.45 -0.27 -0.51 0.09 0.00 0.00 178.44 179.19 1s6u s ILE 52 N -2.99 0.06 0.23 1.22 1.10 -1.21 -4.88 121.20 114.74 1s6u s ILE 52 Ca -0.11 -1.30 0.08 0.00 -0.51 0.00 0.00 60.65 58.81 1s6u s ILE 52 Cb 0.04 -1.80 -0.04 0.00 0.15 0.00 0.00 42.46 40.81 1s6u s ILE 52 CO 0.88 -0.27 0.05 -0.94 -2.11 0.00 0.00 174.94 172.54 1s6u s SER 53 N -2.95 4.87 0.22 4.50 1.04 -1.26 -4.47 113.70 115.65 1s6u s SER 53 Ca 0.16 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 1s6u s SER 53 Cb 0.03 -1.04 0.36 0.00 0.10 0.00 0.00 66.02 65.47 1s6u s SER 53 CO -0.00 0.02 1.70 0.58 0.98 0.00 0.00 173.24 176.52 1s6u h VAL 54 N 1.96 0.61 -0.79 5.02 2.07 -2.00 -1.86 116.25 121.26 1s6u h VAL 54 Ca -0.46 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s6u h VAL 54 Cb 1.23 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1s6u h VAL 54 CO 0.60 0.05 0.48 -0.08 0.02 0.00 0.00 177.57 178.64 1s6u h GLU 55 N 0.29 1.07 -0.05 1.57 4.57 -1.98 -0.57 114.58 119.48 1s6u h GLU 55 Ca 0.36 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.48 1s6u h GLU 55 Cb 0.55 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1s6u h GLU 55 CO -0.43 0.74 -0.14 1.49 -1.18 0.00 0.00 179.01 179.49 1s6u h GLU 56 N 1.09 -0.21 -0.01 1.92 4.22 -1.75 0.49 114.58 120.33 1s6u h GLU 56 Ca 0.29 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.75 1s6u h GLU 56 Cb -0.05 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1s6u h GLU 56 CO -0.05 -0.14 -0.37 0.52 -2.18 0.00 0.00 179.01 176.78 1s6u h MET 57 N -0.22 -0.44 0.55 1.92 2.86 -1.19 0.10 114.93 118.51 1s6u h MET 57 Ca 0.06 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1s6u h MET 57 Cb 0.30 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1s6u h MET 57 CO -0.17 -0.30 -0.31 -0.22 1.06 0.00 0.00 176.91 176.97 1s6u h LYS 58 N -0.46 -0.78 -0.81 1.72 3.11 -0.76 0.13 116.57 118.73 1s6u h LYS 58 Ca 0.01 0.05 0.14 0.00 -2.81 0.00 0.00 60.65 58.05 1s6u h LYS 58 Cb 0.50 0.18 -0.15 0.00 -1.00 0.00 0.00 32.23 31.76 1s6u h LYS 58 CO -0.25 -0.52 -0.30 -0.22 -2.81 0.00 0.00 179.45 175.35 1s6u h LYS 59 N -0.81 -0.05 -0.63 1.90 3.11 0.01 0.68 116.57 120.79 1s6u h LYS 59 Ca -0.07 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1s6u h LYS 59 Cb 0.64 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.86 1s6u h LYS 59 CO 0.09 -0.03 0.25 1.96 -2.81 0.00 0.00 179.45 178.90 1s6u h GLN 60 N -0.05 0.94 0.35 1.90 1.08 -0.42 -0.08 115.11 118.83 1s6u h GLN 60 Ca 0.34 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1s6u h GLN 60 Cb 0.59 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1s6u h GLN 60 CO -0.85 0.80 -0.17 0.82 -0.95 0.00 0.00 178.83 178.48 1s6u h ILE 61 N 0.88 0.00 -0.97 2.54 2.04 0.17 -3.18 117.51 118.99 1s6u h ILE 61 Ca 0.21 -0.37 0.33 0.00 1.00 0.00 0.00 64.86 66.02 1s6u h ILE 61 Cb 0.21 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.13 1s6u h ILE 61 CO -0.02 0.00 0.41 -0.08 0.00 0.00 0.00 178.15 178.46 1s6u h GLU 62 N -0.85 0.15 -0.69 2.37 4.81 0.18 0.10 114.58 120.65 1s6u h GLU 62 Ca -0.05 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1s6u h GLU 62 Cb 0.36 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1s6u h GLU 62 CO 0.08 0.10 0.48 0.00 -0.73 0.00 0.00 179.01 178.94 1s6u h ALA 63 N 1.90 2.39 -0.84 2.92 0.00 -0.98 0.24 119.26 124.90 1s6u h ALA 63 Ca 0.71 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.63 1s6u h ALA 63 Cb 1.66 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1s6u h ALA 63 CO -0.72 -0.59 0.55 0.52 0.00 0.00 0.00 179.25 179.01 1s6u h MET 64 N 0.18 1.07 0.00 0.00 2.86 -0.80 -3.47 114.93 114.77 1s6u h MET 64 Ca 0.34 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1s6u h MET 64 Cb 1.07 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1s6u h MET 64 CO -0.06 0.71 0.00 0.41 1.06 0.00 0.00 176.91 179.03 1s6u n GLY 65 N -1.33 1.00 3.62 8.32 0.00 0.86 -5.12 105.19 112.54 1s6u n GLY 65 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.18 2.99 0.60 1.61 0.08 -1.25 -4.98 117.98 116.86 1s6u s PHE 66 Ca 0.00 0.91 -0.19 0.00 0.12 0.00 0.00 56.93 57.77 1s6u s PHE 66 Cb 0.00 -4.00 -0.03 0.00 -0.57 0.00 0.00 43.02 38.42 1s6u s PHE 66 CO 0.00 -0.99 1.25 -1.25 -0.10 0.00 0.00 175.22 174.12 1s6u s PRO 67 N 3.96 2.87 -0.07 0.24 0.04 -1.26 -3.60 135.00 137.17 1s6u s PRO 67 Ca 0.45 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.38 1s6u s PRO 67 Cb -0.10 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1s6u s PRO 67 CO 0.23 -1.32 0.18 0.00 0.04 0.00 0.00 177.00 176.13 1s6u s ALA 68 N -1.50 -0.43 -0.94 8.56 0.00 -1.26 -3.51 121.76 122.68 1s6u s ALA 68 Ca 0.78 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1s6u s ALA 68 Cb -0.34 -0.36 0.26 0.00 0.00 0.00 0.00 23.12 22.69 1s6u s ALA 68 CO 0.36 -0.11 1.06 1.19 0.00 0.00 0.00 175.76 178.27 1s6u n PHE 69 N 3.32 3.64 -1.69 0.00 3.72 0.92 -4.90 117.46 122.46 1s6u n PHE 69 Ca -0.16 -3.59 -0.39 0.00 -0.05 0.00 0.00 57.45 53.26 1s6u n PHE 69 Cb 0.57 -1.15 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1s6u s VAL 70 N -2.05 3.11 -0.41 -4.37 0.11 -1.26 -2.38 120.40 113.15 1s6u s VAL 70 Ca 0.32 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.54 1s6u s VAL 70 Cb 0.01 -3.23 0.36 0.00 -1.53 0.00 0.00 36.38 31.98 1s6u s VAL 70 CO -0.02 -0.21 1.12 2.29 -3.33 0.00 0.00 175.10 174.95 1s6u n LYS 71 N 8.93 1.08 -3.56 1.54 2.85 -0.92 -4.99 118.16 123.10 1s6u n LYS 71 Ca 0.31 -2.27 -0.17 0.00 -1.05 0.00 0.00 58.31 55.13 1s6u n LYS 71 Cb 0.52 -0.85 -0.06 0.00 -0.65 0.00 0.00 35.03 33.98 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 -0.57 0.99 -0.47 -1.58 -0.14 -1.23 -4.93 119.74 111.81 1s6u s LYS 72 Ca 0.25 0.19 0.04 0.00 -1.36 0.00 0.00 55.97 55.10 1s6u s LYS 72 Cb 0.35 0.46 0.17 0.00 -1.68 0.00 0.00 37.83 37.13 1s6u s LYS 72 CO -0.06 -0.30 0.36 0.42 -0.76 0.00 0.00 175.35 175.01 1s6u s ILE 73 N -1.18 0.92 -1.01 2.17 1.09 -1.25 -3.66 121.20 118.27 1s6u s ILE 73 Ca -0.11 -2.91 -0.23 0.00 -1.10 0.00 0.00 60.65 56.30 1s6u s ILE 73 Cb -0.01 -1.63 0.04 0.00 -1.06 0.00 0.00 42.46 39.80 1s6u s ILE 73 CO 0.09 -1.15 1.48 -1.61 -0.10 0.00 0.00 174.94 173.65 1s6u s GLU 74 N -0.16 3.52 0.00 2.79 8.01 0.32 -4.82 118.70 128.35 1s6u s GLU 74 Ca 0.29 -1.06 0.00 0.00 0.01 0.00 0.00 54.97 54.21 1s6u s GLU 74 Cb -0.02 -5.33 0.00 0.00 -4.31 0.00 0.00 34.13 24.47 1s6u s GLU 74 CO -0.16 -2.29 0.00 0.41 0.01 0.00 0.00 175.26 173.23 1s6u n GLY 75 N 6.88 -0.99 3.02 -1.39 0.00 -1.26 -0.51 105.19 110.94 1s6u n GLY 75 Ca 0.33 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19