#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 2.26 -4.50 1.61 0.00 -1.26 -4.98 120.64 113.76 1s6u n GLU 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 1s6u n GLU 2 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 1s6u n GLU 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1s6u s VAL 3 N 0.36 0.99 -0.20 3.84 1.01 -0.86 -4.10 120.40 121.43 1s6u s VAL 3 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1s6u s VAL 3 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1s6u s VAL 3 CO 0.00 0.22 0.05 0.54 0.00 0.00 0.00 175.10 175.91 1s6u s VAL 4 N -0.40 4.56 -0.17 2.92 0.11 -0.98 -1.00 120.40 125.43 1s6u s VAL 4 Ca 0.04 -0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1s6u s VAL 4 Cb -0.05 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 1s6u s VAL 4 CO -0.00 0.43 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.40 1s6u s LEU 5 N 0.74 3.22 -0.34 2.54 2.01 0.26 -2.04 118.68 125.07 1s6u s LEU 5 Ca 0.03 -0.17 -0.08 0.00 0.01 0.00 0.00 54.13 53.92 1s6u s LEU 5 Cb -0.13 -1.79 0.03 0.00 0.01 0.00 0.00 46.19 44.30 1s6u s LEU 5 CO 0.02 0.13 0.14 -0.75 1.01 0.00 0.00 176.35 176.90 1s6u s LYS 6 N 0.60 2.83 -0.19 1.70 2.47 -1.21 -1.21 119.74 124.72 1s6u s LYS 6 Ca -0.02 -1.06 -0.02 0.00 -1.56 0.00 0.00 55.97 53.31 1s6u s LYS 6 Cb -0.14 -3.55 -0.01 0.00 -1.46 0.00 0.00 37.83 32.67 1s6u s LYS 6 CO 0.02 -0.62 -0.09 0.00 0.16 0.00 0.00 175.35 174.82 1s6u s MET 7 N 1.49 3.32 0.08 4.03 0.23 0.20 -2.57 119.30 126.08 1s6u s MET 7 Ca 0.01 -0.67 -0.30 0.00 -1.03 0.00 0.00 55.69 53.69 1s6u s MET 7 Cb -0.19 -2.86 -0.06 0.00 -1.53 0.00 0.00 34.83 30.20 1s6u s MET 7 CO 0.04 -0.11 1.18 0.15 -2.03 0.00 0.00 175.02 174.26 1s6u s LYS 8 N 1.20 4.46 0.17 3.16 3.01 -0.91 -0.29 119.74 130.53 1s6u s LYS 8 Ca 0.02 1.76 0.10 0.00 -1.01 0.00 0.00 55.97 56.83 1s6u s LYS 8 Cb -0.14 -3.34 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 1s6u s LYS 8 CO -0.03 -0.21 -0.15 0.14 0.51 0.00 0.00 175.35 175.62 1s6u s VAL 9 N 0.87 2.92 0.07 3.17 -7.23 -0.30 -0.12 120.40 119.79 1s6u s VAL 9 Ca 0.57 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 59.09 1s6u s VAL 9 Cb -0.29 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1s6u s VAL 9 CO 0.30 -0.08 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.20 1s6u s GLU 10 N -2.68 1.89 0.00 4.82 0.41 -1.18 -4.56 118.70 117.39 1s6u s GLU 10 Ca 0.23 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 1s6u s GLU 10 Cb -0.09 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1s6u s GLU 10 CO 0.13 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 1s6u n GLY 11 N 1.31 3.06 3.76 -1.39 0.00 -1.26 -4.57 105.19 106.10 1s6u n GLY 11 Ca -0.16 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 4.19 0.23 1.61 -1.94 -1.26 -4.87 119.30 117.27 1s6u s MET 12 Ca 0.00 2.45 0.00 0.00 -1.71 0.00 0.00 55.69 56.43 1s6u s MET 12 Cb 0.00 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1s6u s MET 12 CO 0.00 -0.49 0.00 2.41 -0.01 0.00 0.00 175.02 176.93 1s6u n THR 13 N 1.57 0.00 -1.74 2.05 -1.04 -1.26 -4.86 114.28 109.00 1s6u n THR 13 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 1s6u n THR 13 Cb 0.39 -0.41 0.04 0.00 -1.82 0.00 0.00 70.33 68.53 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 -0.13 0.00 0.01 0.00 2.07 -2.00 -3.06 115.15 112.04 1s6u h HIS 15 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1s6u h HIS 15 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1s6u h HIS 15 CO 0.58 0.00 -0.01 0.77 -3.07 0.00 0.00 177.93 176.20 1s6u h SER 16 N 0.00 -0.02 0.32 3.10 0.02 -1.98 0.63 113.55 115.62 1s6u h SER 16 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1s6u h SER 16 Cb 0.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1s6u h SER 16 CO 0.00 0.21 -0.42 0.00 -1.14 0.00 0.00 176.83 175.48 1s6u h THR 18 N -0.79 0.36 -0.52 0.00 1.35 -1.62 -1.16 112.91 110.54 1s6u h THR 18 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 1s6u h THR 18 Cb 0.73 0.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 1s6u h THR 18 CO -0.13 0.00 0.24 -1.28 -0.25 0.00 0.00 175.52 174.11 1s6u h SER 19 N -0.56 0.32 -0.15 5.36 0.87 -0.78 0.23 113.55 118.84 1s6u h SER 19 Ca 0.01 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1s6u h SER 19 Cb 0.56 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1s6u h SER 19 CO -0.13 0.22 0.01 0.74 -0.53 0.00 0.00 176.83 177.14 1s6u h THR 20 N 0.47 0.91 -0.28 2.23 2.02 -0.27 0.15 112.91 118.14 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 0.18 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1s6u h THR 20 CO -0.19 0.01 0.16 0.40 0.37 0.00 0.00 175.52 176.28 1s6u h ILE 21 N 0.06 1.11 -0.41 3.11 2.04 -0.88 0.26 117.51 122.81 1s6u h ILE 21 Ca 0.07 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1s6u h ILE 21 Cb 0.07 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1s6u h ILE 21 CO -0.11 0.11 -0.12 -0.33 0.00 0.00 0.00 178.15 177.71 1s6u h GLU 22 N 0.35 -0.02 0.34 2.37 5.08 0.05 0.16 114.58 122.91 1s6u h GLU 22 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1s6u h GLU 22 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1s6u h GLU 22 CO -0.02 -0.01 -0.36 0.78 -1.00 0.00 0.00 179.01 178.40 1s6u h GLY 23 N -0.02 -0.84 0.99 -3.84 0.00 -0.49 0.20 103.07 99.06 1s6u h GLY 23 Ca 0.20 0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.90 1s6u h GLY 23 CO -0.43 -0.30 -0.46 1.70 0.00 0.00 0.00 176.54 177.06 1s6u h LYS 24 N -0.74 -1.23 -0.22 4.80 1.63 0.02 -2.63 116.57 118.19 1s6u h LYS 24 Ca -0.02 0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1s6u h LYS 24 Cb 0.67 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1s6u h LYS 24 CO -0.08 -0.82 -0.28 0.82 -3.45 0.00 0.00 179.45 175.64 1s6u h ILE 25 N -1.31 1.27 -1.22 2.00 5.03 -0.83 -1.15 117.51 121.31 1s6u h ILE 25 Ca -0.13 -1.31 0.35 0.00 -0.12 0.00 0.00 64.86 63.66 1s6u h ILE 25 Cb 0.98 1.41 -0.09 0.00 -3.03 0.00 0.00 36.82 36.09 1s6u h ILE 25 CO 0.21 0.41 0.83 1.23 -0.68 0.00 0.00 178.15 180.15 1s6u h GLY 26 N 1.04 0.76 -1.90 5.37 0.00 -0.47 0.14 103.07 108.00 1s6u h GLY 26 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1s6u h GLY 26 CO 0.05 -0.14 0.00 1.17 0.00 0.00 0.00 176.54 177.62 1s6u n LYS 27 N -4.45 2.38 -1.96 4.80 4.81 -0.43 -4.91 118.16 118.39 1s6u n LYS 27 Ca 0.30 -1.74 -0.35 0.00 -0.87 0.00 0.00 58.31 55.65 1s6u n LYS 27 Cb 1.21 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 34.80 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 -1.16 3.60 -0.09 3.14 1.43 0.47 -5.02 118.68 121.05 1s6u s LEU 28 Ca 0.32 2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 55.49 1s6u s LEU 28 Cb 0.18 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1s6u s LEU 28 CO 0.19 -1.59 0.59 -1.58 0.23 0.00 0.00 176.35 174.18 1s6u s GLN 29 N -3.50 4.38 0.00 1.70 0.74 -1.26 -4.11 119.66 117.61 1s6u s GLN 29 Ca 0.74 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.82 1s6u s GLN 29 Cb -0.27 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1s6u s GLN 29 CO 0.34 0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1s6u n GLY 30 N 3.14 0.76 3.92 2.59 0.00 -1.26 -4.54 105.19 109.80 1s6u n GLY 30 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1s6u n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6u s VAL 31 N -2.00 5.15 0.00 1.61 0.11 -1.26 -0.92 120.40 123.09 1s6u s VAL 31 Ca 0.00 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1s6u s VAL 31 Cb 0.00 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1s6u s VAL 31 CO 0.00 -0.23 0.00 0.00 -3.33 0.00 0.00 175.10 171.54 1s6u n GLN 32 N -0.80 0.00 -3.86 1.54 1.13 0.15 -4.86 117.38 110.68 1s6u n GLN 32 Ca -0.04 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.93 1s6u n GLN 32 Cb 0.54 -0.87 -0.06 0.00 0.11 0.00 0.00 30.24 29.96 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 -1.91 1.21 -0.23 -1.09 3.52 -0.24 -5.03 118.95 115.17 1s6u s ARG 33 Ca 0.00 -1.02 -0.21 0.00 -0.13 0.00 0.00 55.73 54.37 1s6u s ARG 33 Cb 0.00 0.43 0.06 0.00 -1.56 0.00 0.00 34.95 33.88 1s6u s ARG 33 CO 0.00 -0.47 0.61 -1.50 -0.81 0.00 0.00 175.30 173.13 1s6u s ILE 34 N -3.92 -0.00 -0.02 4.11 2.07 -1.26 -0.34 121.20 121.84 1s6u s ILE 34 Ca 0.13 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.29 1s6u s ILE 34 Cb 0.02 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1s6u s ILE 34 CO -0.02 0.00 0.17 -0.54 -1.91 0.00 0.00 174.94 172.64 1s6u s LYS 35 N 0.41 0.45 0.00 3.50 -0.14 0.63 -4.99 119.74 119.60 1s6u s LYS 35 Ca -0.01 -0.23 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 1s6u s LYS 35 Cb -0.04 0.19 -0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1s6u s LYS 35 CO -0.00 -0.10 -0.04 0.08 -0.76 0.00 0.00 175.35 174.52 1s6u s VAL 36 N -1.05 0.28 -0.07 3.17 1.01 -1.26 0.03 120.40 122.52 1s6u s VAL 36 Ca -0.11 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1s6u s VAL 36 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1s6u s VAL 36 CO 0.02 0.04 -0.19 -0.44 0.00 0.00 0.00 175.10 174.53 1s6u s SER 37 N -0.19 2.46 -0.10 3.32 0.01 0.38 -4.98 113.70 114.60 1s6u s SER 37 Ca 0.00 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.67 1s6u s SER 37 Cb -0.02 -0.91 -0.14 0.00 0.21 0.00 0.00 66.02 65.15 1s6u s SER 37 CO -0.00 0.14 0.54 0.17 0.41 0.00 0.00 173.24 174.50 1s6u h LEU 38 N 6.52 -0.06 0.23 2.44 -0.00 -1.86 -2.03 115.31 120.55 1s6u h LEU 38 Ca -0.28 -0.47 0.01 0.00 -0.00 0.00 0.00 57.88 57.14 1s6u h LEU 38 Cb 1.20 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 1s6u h LEU 38 CO 0.47 0.64 -0.37 0.44 -0.00 0.00 0.00 178.44 179.62 1s6u h ASP 39 N -0.96 -1.05 -0.30 0.17 5.19 -1.90 0.66 116.42 118.24 1s6u h ASP 39 Ca -0.01 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1s6u h ASP 39 Cb 0.52 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1s6u h ASP 39 CO 0.01 -0.48 0.00 -3.20 -3.12 0.00 0.00 179.24 172.45 1s6u n ASN 40 N -5.46 1.85 -3.78 6.45 5.15 -1.26 -4.95 115.26 113.26 1s6u n ASN 40 Ca -0.08 -2.06 -0.26 0.00 -0.60 0.00 0.00 54.58 51.58 1s6u n ASN 40 Cb 0.36 -0.26 0.01 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.38 -0.64 -4.41 1.20 7.27 0.22 -4.91 117.38 116.49 1s6u n GLN 41 Ca 0.10 -0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.98 1s6u n GLN 41 Cb 0.32 -1.20 -0.14 0.00 2.41 0.00 0.00 30.24 31.63 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 -5.83 0.88 -0.08 3.69 2.12 -0.77 -1.14 118.70 117.57 1s6u s GLU 42 Ca 0.23 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.08 1s6u s GLU 42 Cb -0.13 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 1s6u s GLU 42 CO 0.59 0.22 -0.22 0.00 -0.54 0.00 0.00 175.26 175.31 1s6u s ALA 43 N -0.50 2.27 -0.26 6.30 0.00 0.60 -0.47 121.76 129.70 1s6u s ALA 43 Ca 0.03 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1s6u s ALA 43 Cb -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1s6u s ALA 43 CO 0.00 0.38 0.02 0.99 0.00 0.00 0.00 175.76 177.16 1s6u s THR 44 N -0.04 3.70 -0.14 0.00 2.01 0.10 -0.63 115.64 120.65 1s6u s THR 44 Ca -0.07 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1s6u s THR 44 Cb -0.15 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1s6u s THR 44 CO 0.05 0.23 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.47 1s6u s ILE 45 N 1.49 1.39 -0.28 1.82 -1.09 -0.35 -0.27 121.20 123.91 1s6u s ILE 45 Ca 0.04 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1s6u s ILE 45 Cb -0.16 -1.36 0.06 0.00 -1.58 0.00 0.00 42.46 39.43 1s6u s ILE 45 CO 0.00 0.39 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.34 1s6u s VAL 46 N 1.55 2.31 0.14 2.92 1.01 0.54 -0.57 120.40 128.30 1s6u s VAL 46 Ca 0.04 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 1s6u s VAL 46 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1s6u s VAL 46 CO -0.10 -0.12 0.17 -0.72 0.00 0.00 0.00 175.10 174.33 1s6u s TYR 47 N 1.10 0.56 -0.48 5.22 1.13 -0.17 -0.68 117.35 124.03 1s6u s TYR 47 Ca -0.06 -0.94 -0.22 0.00 -1.41 0.00 0.00 57.07 54.43 1s6u s TYR 47 Cb -0.20 -0.24 0.03 0.00 -1.10 0.00 0.00 41.96 40.45 1s6u s TYR 47 CO -0.05 -0.61 0.77 -1.14 -2.51 0.00 0.00 175.55 172.02 1s6u s GLN 48 N -3.99 3.33 -0.99 -3.49 2.00 -0.09 -2.02 119.66 114.41 1s6u s GLN 48 Ca 0.18 -0.28 -0.21 0.00 -2.00 0.00 0.00 55.36 53.05 1s6u s GLN 48 Cb 0.05 -3.98 -0.10 0.00 0.80 0.00 0.00 33.01 29.78 1s6u s GLN 48 CO -0.01 -1.19 1.95 -0.35 -0.50 0.00 0.00 175.29 175.19 1s6u n PRO 49 N 6.72 1.82 0.05 1.67 -0.04 -1.26 -2.76 135.00 141.20 1s6u n PRO 49 Ca 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1s6u n PRO 49 Cb 0.48 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 9.03 -2.25 -0.04 0.54 8.25 -1.26 -4.99 115.22 124.50 1s6u n HIS 50 Ca 0.49 0.33 -0.16 0.00 -0.26 0.00 0.00 57.72 58.12 1s6u n HIS 50 Cb 0.42 1.07 -0.08 0.00 1.12 0.00 0.00 29.99 32.52 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 0.66 -9.24 2.41 3.38 -1.84 -3.47 115.31 107.21 1s6u h LEU 51 Ca 0.00 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.85 1s6u h LEU 51 Cb 0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.42 1s6u h LEU 51 CO 0.00 1.16 -0.51 -0.51 0.09 0.00 0.00 178.44 178.66 1s6u s ILE 52 N -3.82 0.40 0.14 1.22 1.10 -1.25 -4.90 121.20 114.09 1s6u s ILE 52 Ca -0.12 -2.00 0.02 0.00 -0.51 0.00 0.00 60.65 58.03 1s6u s ILE 52 Cb 0.06 -2.40 -0.04 0.00 0.15 0.00 0.00 42.46 40.23 1s6u s ILE 52 CO 0.83 0.00 -0.03 -0.94 -2.11 0.00 0.00 174.94 172.69 1s6u s SER 53 N -3.52 1.21 0.28 4.50 1.04 -1.26 -4.62 113.70 111.33 1s6u s SER 53 Ca 0.30 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.61 1s6u s SER 53 Cb 0.03 0.10 0.62 0.00 0.10 0.00 0.00 66.02 66.87 1s6u s SER 53 CO 0.18 -0.51 1.62 0.58 0.98 0.00 0.00 173.24 176.09 1s6u h VAL 54 N 2.81 0.22 0.75 5.02 2.07 -2.00 -2.73 116.25 122.40 1s6u h VAL 54 Ca -0.36 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1s6u h VAL 54 Cb 1.19 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1s6u h VAL 54 CO 0.63 0.02 -0.36 -0.08 0.02 0.00 0.00 177.57 177.80 1s6u h GLU 55 N 0.10 -0.97 -0.93 1.57 4.22 -1.98 -0.34 114.58 116.26 1s6u h GLU 55 Ca 0.51 0.07 0.12 0.00 0.08 0.00 0.00 59.36 60.14 1s6u h GLU 55 Cb 1.00 0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 1s6u h GLU 55 CO -0.75 -0.63 -0.45 0.39 -2.18 0.00 0.00 179.01 175.39 1s6u n GLU 56 N -5.50 -0.31 0.09 1.92 -0.58 -1.06 0.62 120.64 115.83 1s6u n GLU 56 Ca -0.14 1.42 -0.12 0.00 -0.42 0.00 0.00 57.16 57.90 1s6u n GLU 56 Cb 0.41 -2.09 -0.07 0.00 -0.57 0.00 0.00 31.44 29.11 1s6u n GLU 56 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1s6u h MET 57 N 0.00 -0.53 0.70 3.49 2.86 -1.22 0.57 114.93 120.80 1s6u h MET 57 Ca 0.24 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1s6u h MET 57 Cb 0.47 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1s6u h MET 57 CO -0.90 -0.35 -0.44 -0.22 1.06 0.00 0.00 176.91 176.06 1s6u h LYS 58 N -0.55 -1.03 -0.84 1.72 3.11 0.74 0.19 116.57 119.91 1s6u h LYS 58 Ca -0.01 0.07 0.12 0.00 -2.81 0.00 0.00 60.65 58.02 1s6u h LYS 58 Cb 0.54 0.23 -0.13 0.00 -1.00 0.00 0.00 32.23 31.88 1s6u h LYS 58 CO -0.19 -0.69 -0.35 1.17 -2.81 0.00 0.00 179.45 176.58 1s6u n LYS 59 N -5.57 -0.22 -0.20 1.90 0.00 0.20 0.73 118.16 115.00 1s6u n LYS 59 Ca -0.14 1.30 -0.09 0.00 0.00 0.00 0.00 58.31 59.38 1s6u n LYS 59 Cb 0.45 -1.92 0.02 0.00 0.00 0.00 0.00 35.03 33.58 1s6u n LYS 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1s6u h GLN 60 N 0.00 0.92 0.47 1.64 7.50 -0.45 -0.68 115.11 124.51 1s6u h GLN 60 Ca 0.27 -0.25 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1s6u h GLN 60 Cb 0.48 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1s6u h GLN 60 CO -0.83 0.89 -0.23 0.82 -1.50 0.00 0.00 178.83 177.98 1s6u h ILE 61 N 0.82 0.00 -0.99 2.54 2.04 0.26 -2.98 117.51 119.20 1s6u h ILE 61 Ca 0.17 -0.36 0.33 0.00 1.00 0.00 0.00 64.86 66.00 1s6u h ILE 61 Cb 0.42 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.34 1s6u h ILE 61 CO 0.01 0.00 0.49 -0.08 0.00 0.00 0.00 178.15 178.57 1s6u h GLU 62 N -1.00 0.21 -0.55 2.37 4.81 0.20 0.73 114.58 121.35 1s6u h GLU 62 Ca -0.06 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1s6u h GLU 62 Cb 0.49 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1s6u h GLU 62 CO 0.11 0.14 0.39 0.00 -0.73 0.00 0.00 179.01 178.91 1s6u h ALA 63 N 1.89 2.34 -0.69 2.92 0.00 -0.96 0.27 119.26 125.03 1s6u h ALA 63 Ca 0.73 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.69 1s6u h ALA 63 Cb 1.72 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1s6u h ALA 63 CO -0.67 -0.49 0.39 0.52 0.00 0.00 0.00 179.25 179.00 1s6u h MET 64 N 0.13 0.69 0.00 0.00 2.86 -0.78 -3.47 114.93 114.37 1s6u h MET 64 Ca 0.26 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1s6u h MET 64 Cb 0.87 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1s6u h MET 64 CO -0.03 0.46 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1s6u n GLY 65 N -1.29 0.99 3.64 8.32 0.00 0.95 -5.12 105.19 112.68 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 -0.40 3.18 0.33 1.61 0.08 -1.25 -4.99 117.98 116.54 1s6u s PHE 66 Ca 0.00 1.17 -0.29 0.00 0.12 0.00 0.00 56.93 57.94 1s6u s PHE 66 Cb 0.00 -3.58 -0.10 0.00 -0.57 0.00 0.00 43.02 38.76 1s6u s PHE 66 CO 0.00 -0.71 1.28 -1.25 -0.10 0.00 0.00 175.22 174.44 1s6u s PRO 67 N 3.51 4.39 -0.00 0.24 0.04 -1.26 -3.83 135.00 138.09 1s6u s PRO 67 Ca 0.44 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1s6u s PRO 67 Cb -0.13 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1s6u s PRO 67 CO 0.14 -0.14 -0.04 0.00 0.04 0.00 0.00 177.00 177.00 1s6u s ALA 68 N -1.15 0.36 -0.81 8.56 0.00 -1.26 -3.12 121.76 124.34 1s6u s ALA 68 Ca 0.48 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1s6u s ALA 68 Cb -0.39 -0.09 0.21 0.00 0.00 0.00 0.00 23.12 22.85 1s6u s ALA 68 CO 0.51 0.08 0.69 1.19 0.00 0.00 0.00 175.76 178.24 1s6u n PHE 69 N 2.94 3.77 -1.69 0.00 3.72 0.83 -4.91 117.46 122.11 1s6u n PHE 69 Ca -0.13 -4.17 -0.40 0.00 -0.05 0.00 0.00 57.45 52.71 1s6u n PHE 69 Cb 0.58 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 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 -1.55 3.11 -0.40 -4.37 0.11 -1.26 -2.15 120.40 113.90 1s6u s VAL 70 Ca 0.28 0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.53 1s6u s VAL 70 Cb -0.04 -3.21 0.37 0.00 -1.53 0.00 0.00 36.38 31.98 1s6u s VAL 70 CO -0.13 -0.17 1.11 2.29 -3.33 0.00 0.00 175.10 174.86 1s6u n LYS 71 N 8.86 1.10 -3.66 1.54 2.85 -1.06 -4.98 118.16 122.81 1s6u n LYS 71 Ca 0.30 -2.38 -0.09 0.00 -1.05 0.00 0.00 58.31 55.09 1s6u n LYS 71 Cb 0.50 -0.84 -0.08 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.83 0.66 -0.52 -1.58 -0.14 -1.24 -4.95 119.74 111.14 1s6u s LYS 72 Ca 0.26 1.05 0.07 0.00 -1.36 0.00 0.00 55.97 55.99 1s6u s LYS 72 Cb 0.37 0.17 0.25 0.00 -1.68 0.00 0.00 37.83 36.93 1s6u s LYS 72 CO -0.05 -0.14 0.62 -0.89 -0.76 0.00 0.00 175.35 174.13 1s6u n ILE 73 N 3.88 0.78 -2.13 2.17 -0.00 -1.26 -3.36 119.36 119.44 1s6u n ILE 73 Ca -0.19 -4.58 -0.28 0.00 -0.00 0.00 0.00 62.75 57.70 1s6u n ILE 73 Cb 0.57 -2.02 0.14 0.00 -0.00 0.00 0.00 39.64 38.33 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 -1.76 1.28 -0.08 0.38 8.01 -0.86 -4.94 118.70 120.73 1s6u s GLU 74 Ca 0.37 -0.50 0.02 0.00 0.01 0.00 0.00 54.97 54.87 1s6u s GLU 74 Cb 0.15 -2.03 -0.02 0.00 -4.31 0.00 0.00 34.13 27.92 1s6u s GLU 74 CO -0.07 -1.90 -0.14 0.20 0.01 0.00 0.00 175.26 173.36 1s6u s GLY 75 N -4.76 1.53 0.00 -1.39 0.00 -1.26 -2.32 107.32 99.11 1s6u s GLY 75 Ca 0.69 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1s6u s GLY 75 CO 0.49 -0.54 0.00 -2.13 0.00 0.00 0.00 173.10 170.92