#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 2.64 -0.13 1.61 -1.05 -1.26 -4.81 118.70 115.70 1s6u s GLU 2 Ca 0.00 1.90 0.01 0.00 -0.15 0.00 0.00 54.97 56.73 1s6u s GLU 2 Cb 0.00 -1.88 -0.01 0.00 -0.44 0.00 0.00 34.13 31.81 1s6u s GLU 2 CO 0.00 -1.48 -0.17 0.14 0.95 0.00 0.00 175.26 174.69 1s6u s VAL 3 N -1.61 2.60 -0.58 1.83 -7.23 0.34 -4.92 120.40 110.83 1s6u s VAL 3 Ca 0.79 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.90 1s6u s VAL 3 Cb -0.33 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.60 1s6u s VAL 3 CO 0.38 0.53 0.96 0.54 -0.31 0.00 0.00 175.10 177.21 1s6u s VAL 4 N 0.49 4.34 -0.58 1.32 0.11 -1.26 -1.25 120.40 123.56 1s6u s VAL 4 Ca -0.12 0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.91 1s6u s VAL 4 Cb -0.16 -4.58 0.08 0.00 -1.53 0.00 0.00 36.38 30.18 1s6u s VAL 4 CO 0.05 -1.21 0.77 -0.22 -3.33 0.00 0.00 175.10 171.16 1s6u s LEU 5 N 4.05 4.94 -0.20 2.54 1.98 0.60 -3.83 118.68 128.76 1s6u s LEU 5 Ca 0.29 -1.11 -0.29 0.00 -2.89 0.00 0.00 54.13 50.13 1s6u s LEU 5 Cb -0.13 -2.41 0.00 0.00 0.66 0.00 0.00 46.19 44.31 1s6u s LEU 5 CO 0.17 -1.15 1.07 -0.54 -1.89 0.00 0.00 176.35 174.02 1s6u s LYS 6 N 3.10 4.28 -0.17 1.98 -0.14 -1.26 -1.07 119.74 126.48 1s6u s LYS 6 Ca 0.16 1.42 0.01 0.00 -1.36 0.00 0.00 55.97 56.20 1s6u s LYS 6 Cb -0.20 -3.64 0.02 0.00 -1.68 0.00 0.00 37.83 32.33 1s6u s LYS 6 CO 0.10 -0.59 -0.16 -1.64 -0.76 0.00 0.00 175.35 172.30 1s6u s MET 7 N 3.04 2.52 -0.34 1.68 -1.94 0.14 -0.58 119.30 123.82 1s6u s MET 7 Ca 0.47 -0.71 -0.29 0.00 -1.71 0.00 0.00 55.69 53.45 1s6u s MET 7 Cb -0.17 -2.33 0.02 0.00 2.01 0.00 0.00 34.83 34.36 1s6u s MET 7 CO 0.09 -0.26 1.10 0.21 -0.01 0.00 0.00 175.02 176.15 1s6u s LYS 8 N 1.39 4.02 0.15 2.03 2.36 -0.36 -0.18 119.74 129.14 1s6u s LYS 8 Ca 0.04 1.02 0.03 0.00 -2.55 0.00 0.00 55.97 54.51 1s6u s LYS 8 Cb -0.13 -3.77 -0.04 0.00 -1.05 0.00 0.00 37.83 32.84 1s6u s LYS 8 CO -0.11 -0.97 0.21 0.14 1.55 0.00 0.00 175.35 176.17 1s6u s VAL 9 N 3.80 4.97 0.21 4.02 -7.23 -0.20 -0.23 120.40 125.74 1s6u s VAL 9 Ca 0.46 -0.83 0.08 0.00 -1.81 0.00 0.00 61.98 59.89 1s6u s VAL 9 Cb -0.12 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1s6u s VAL 9 CO 0.18 -0.08 0.00 -1.61 -0.31 0.00 0.00 175.10 173.29 1s6u s GLU 10 N -3.11 2.37 0.00 4.82 0.41 -1.12 -4.51 118.70 117.56 1s6u s GLU 10 Ca 0.33 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 1s6u s GLU 10 Cb -0.11 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 1s6u s GLU 10 CO 0.26 0.42 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 1s6u n GLY 11 N -0.46 1.59 3.57 -1.39 0.00 -1.26 -4.69 105.19 102.55 1s6u n GLY 11 Ca -0.08 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 1.52 -0.34 1.61 -1.94 -1.26 -4.71 119.30 114.19 1s6u s MET 12 Ca 0.00 0.12 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 1s6u s MET 12 Cb 0.00 -4.87 0.46 0.00 2.01 0.00 0.00 34.83 32.43 1s6u s MET 12 CO 0.00 -4.74 1.34 2.41 -0.01 0.00 0.00 175.02 174.02 1s6u n THR 13 N 8.81 2.66 -3.70 2.05 -1.04 -1.26 -4.54 114.28 117.27 1s6u n THR 13 Ca 0.45 -3.81 -0.10 0.00 -2.04 0.00 0.00 64.05 58.55 1s6u n THR 13 Cb 0.45 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 67.94 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 2.26 0.00 0.73 0.00 2.76 -1.99 -3.33 115.15 115.57 1s6u h HIS 15 Ca -0.31 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.83 1s6u h HIS 15 Cb 1.26 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 1s6u h HIS 15 CO 0.34 0.14 -0.45 0.77 -1.30 0.00 0.00 177.93 177.43 1s6u h SER 16 N 0.00 -1.13 -0.03 3.26 0.02 -1.98 0.55 113.55 114.25 1s6u h SER 16 Ca -0.00 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1s6u h SER 16 Cb 0.94 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1s6u h SER 16 CO 0.02 -0.69 -0.22 0.00 -1.14 0.00 0.00 176.83 174.79 1s6u h THR 18 N -0.34 0.55 -0.45 0.00 1.35 -1.66 -0.18 112.91 112.18 1s6u h THR 18 Ca 0.07 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.95 1s6u h THR 18 Cb 0.43 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 1s6u h THR 18 CO -0.22 0.00 0.26 -1.28 -0.25 0.00 0.00 175.52 174.03 1s6u h SER 19 N -0.54 0.42 -0.32 5.36 0.87 -0.72 0.20 113.55 118.82 1s6u h SER 19 Ca -0.04 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1s6u h SER 19 Cb 0.45 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1s6u h SER 19 CO 0.04 0.30 0.06 0.74 -0.53 0.00 0.00 176.83 177.43 1s6u h THR 20 N 0.52 0.84 -0.24 2.23 2.02 -0.50 0.23 112.91 118.02 1s6u h THR 20 Ca 0.18 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1s6u h THR 20 Cb 0.02 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1s6u h THR 20 CO -0.09 0.03 0.14 0.40 0.37 0.00 0.00 175.52 176.37 1s6u h ILE 21 N 0.17 1.03 -0.61 3.11 2.04 -0.51 0.12 117.51 122.86 1s6u h ILE 21 Ca 0.15 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1s6u h ILE 21 Cb 0.16 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1s6u h ILE 21 CO -0.20 0.05 0.30 -0.33 0.00 0.00 0.00 178.15 177.97 1s6u h GLU 22 N 0.28 0.53 0.14 2.37 5.08 0.07 0.27 114.58 123.31 1s6u h GLU 22 Ca 0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1s6u h GLU 22 Cb -0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1s6u h GLU 22 CO -0.04 0.35 -0.19 0.78 -1.00 0.00 0.00 179.01 178.91 1s6u h GLY 23 N 0.54 -0.37 0.87 -3.84 0.00 -0.28 0.24 103.07 100.23 1s6u h GLY 23 Ca 0.29 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.79 1s6u h GLY 23 CO -0.22 -0.18 -0.41 1.70 0.00 0.00 0.00 176.54 177.43 1s6u h LYS 24 N -0.38 -1.10 -0.22 4.80 1.63 -0.12 -3.20 116.57 117.99 1s6u h LYS 24 Ca 0.02 0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1s6u h LYS 24 Cb 0.38 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1s6u h LYS 24 CO -0.08 -0.73 -0.05 0.82 -3.45 0.00 0.00 179.45 175.96 1s6u h ILE 25 N -1.29 1.17 -1.24 2.00 1.08 -0.56 -1.67 117.51 117.00 1s6u h ILE 25 Ca -0.12 -0.69 0.36 0.00 -0.39 0.00 0.00 64.86 64.02 1s6u h ILE 25 Cb 0.88 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.62 1s6u h ILE 25 CO 0.19 0.23 0.87 1.23 -0.69 0.00 0.00 178.15 179.98 1s6u h GLY 26 N 0.71 0.29 1.31 5.37 0.00 -0.51 0.24 103.07 110.49 1s6u h GLY 26 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1s6u h GLY 26 CO 0.01 -0.05 -0.02 1.17 0.00 0.00 0.00 176.54 177.66 1s6u n LYS 27 N -4.27 0.62 -2.44 4.80 4.81 -0.63 -4.90 118.16 116.15 1s6u n LYS 27 Ca 0.28 -0.04 -0.40 0.00 -0.87 0.00 0.00 58.31 57.27 1s6u n LYS 27 Cb 1.27 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.78 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 -2.41 4.53 -1.17 3.14 1.43 0.07 -4.95 118.68 119.32 1s6u s LEU 28 Ca 0.34 2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 55.53 1s6u s LEU 28 Cb 0.21 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.87 1s6u s LEU 28 CO 0.44 -0.19 1.58 0.00 0.23 0.00 0.00 176.35 178.40 1s6u s GLN 29 N -1.31 3.83 0.00 1.70 -2.07 -1.26 -3.39 119.66 117.16 1s6u s GLN 29 Ca 0.46 -1.70 0.00 0.00 -1.82 0.00 0.00 55.36 52.30 1s6u s GLN 29 Cb -0.32 -5.41 0.00 0.00 -1.09 0.00 0.00 33.01 26.19 1s6u s GLN 29 CO 0.41 -2.18 0.00 0.41 -1.32 0.00 0.00 175.29 172.61 1s6u n GLY 30 N 5.87 0.31 3.80 2.60 0.00 -1.26 -4.34 105.19 112.17 1s6u n GLY 30 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 4.33 -0.06 1.61 1.01 -1.22 -0.75 120.40 125.33 1s6u s VAL 31 Ca 0.00 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1s6u s VAL 31 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1s6u s VAL 31 CO 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.12 1s6u n GLN 32 N 0.34 0.97 -3.72 2.72 1.13 0.47 -4.89 117.38 114.40 1s6u n GLN 32 Ca 0.02 0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 1s6u n GLN 32 Cb 0.51 -1.13 -0.06 0.00 0.11 0.00 0.00 30.24 29.68 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 -2.12 0.97 -0.22 -1.09 6.06 -0.33 -5.03 118.95 117.18 1s6u s ARG 33 Ca -0.07 -0.78 -0.11 0.00 -2.50 0.00 0.00 55.73 52.27 1s6u s ARG 33 Cb 0.02 0.42 0.08 0.00 0.06 0.00 0.00 34.95 35.53 1s6u s ARG 33 CO 0.16 -0.35 0.52 -1.50 -2.50 0.00 0.00 175.30 171.63 1s6u s ILE 34 N -3.74 -0.28 -0.28 4.11 2.07 -1.26 -0.33 121.20 121.50 1s6u s ILE 34 Ca 0.03 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.32 1s6u s ILE 34 Cb 0.03 -0.78 0.09 0.00 0.13 0.00 0.00 42.46 41.93 1s6u s ILE 34 CO -0.11 0.03 0.10 -0.54 -1.91 0.00 0.00 174.94 172.50 1s6u s LYS 35 N 1.92 0.53 -0.63 3.50 -0.14 0.50 -4.99 119.74 120.43 1s6u s LYS 35 Ca -0.08 -0.76 -0.18 0.00 -1.36 0.00 0.00 55.97 53.59 1s6u s LYS 35 Cb -0.09 -1.76 0.12 0.00 -1.68 0.00 0.00 37.83 34.42 1s6u s LYS 35 CO -0.16 -0.92 0.72 0.08 -0.76 0.00 0.00 175.35 174.31 1s6u s VAL 36 N 1.82 4.91 -0.14 3.17 1.01 -1.26 -0.28 120.40 129.63 1s6u s VAL 36 Ca 0.07 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 1s6u s VAL 36 Cb -0.17 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1s6u s VAL 36 CO -0.25 -1.12 0.61 -0.44 0.00 0.00 0.00 175.10 173.90 1s6u s SER 37 N 3.52 6.77 -0.08 3.32 0.01 0.11 -4.85 113.70 122.49 1s6u s SER 37 Ca 0.12 0.92 -0.16 0.00 1.31 0.00 0.00 55.95 58.15 1s6u s SER 37 Cb -0.22 -2.35 -0.29 0.00 0.21 0.00 0.00 66.02 63.37 1s6u s SER 37 CO 0.04 -0.16 0.65 0.17 0.41 0.00 0.00 173.24 174.35 1s6u h LEU 38 N 7.44 0.47 0.11 2.44 -0.00 -1.80 0.28 115.31 124.24 1s6u h LEU 38 Ca -0.36 -0.89 0.02 0.00 -0.00 0.00 0.00 57.88 56.64 1s6u h LEU 38 Cb 1.17 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1s6u h LEU 38 CO 0.76 1.62 -0.49 0.44 -0.00 0.00 0.00 178.44 180.77 1s6u h ASP 39 N -0.21 -1.48 -0.22 0.17 5.19 -1.94 0.74 116.42 118.66 1s6u h ASP 39 Ca -0.28 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1s6u h ASP 39 Cb 1.83 0.55 0.00 0.00 0.18 0.00 0.00 39.33 41.89 1s6u h ASP 39 CO 0.11 -0.54 0.00 -3.20 -3.12 0.00 0.00 179.24 172.49 1s6u n ASN 40 N -5.48 1.28 -3.54 6.45 5.15 -1.26 -4.94 115.26 112.92 1s6u n ASN 40 Ca -0.08 -1.93 -0.21 0.00 -0.60 0.00 0.00 54.58 51.76 1s6u n ASN 40 Cb 0.40 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 0.18 -0.84 -3.83 1.20 7.27 0.25 -4.89 117.38 116.72 1s6u n GLN 41 Ca 0.09 0.27 -0.12 0.00 0.07 0.00 0.00 57.00 57.31 1s6u n GLN 41 Cb 0.21 -1.36 -0.12 0.00 2.41 0.00 0.00 30.24 31.39 1s6u n GLN 41 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1s6u s GLU 42 N -4.79 0.25 -0.20 3.69 2.02 0.08 -1.03 118.70 118.71 1s6u s GLU 42 Ca 0.10 0.10 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 1s6u s GLU 42 Cb -0.06 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1s6u s GLU 42 CO 0.59 -0.04 -0.10 0.00 0.02 0.00 0.00 175.26 175.73 1s6u s ALA 43 N -0.21 2.63 -1.17 5.21 0.00 0.74 0.04 121.76 129.00 1s6u s ALA 43 Ca -0.03 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1s6u s ALA 43 Cb -0.02 -1.50 0.22 0.00 0.00 0.00 0.00 23.12 21.82 1s6u s ALA 43 CO 0.00 -0.39 1.36 2.41 0.00 0.00 0.00 175.76 179.15 1s6u n THR 44 N 4.71 4.48 -2.90 0.00 -1.04 0.62 -0.68 114.28 119.46 1s6u n THR 44 Ca -0.19 -5.05 -0.43 0.00 -2.04 0.00 0.00 64.05 56.33 1s6u n THR 44 Cb 0.51 -2.47 -0.04 0.00 -1.82 0.00 0.00 70.33 66.50 1s6u n THR 44 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1s6u s ILE 45 N -0.01 4.45 -0.43 12.58 -1.09 -0.23 -0.37 121.20 136.11 1s6u s ILE 45 Ca 0.37 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.58 1s6u s ILE 45 Cb -0.04 -4.55 0.04 0.00 -1.58 0.00 0.00 42.46 36.34 1s6u s ILE 45 CO -0.02 -1.17 0.32 -0.69 -1.23 0.00 0.00 174.94 172.15 1s6u s VAL 46 N 3.76 5.17 0.36 2.92 1.01 0.56 -0.29 120.40 133.87 1s6u s VAL 46 Ca 0.25 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1s6u s VAL 46 Cb -0.15 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1s6u s VAL 46 CO 0.15 -0.40 0.12 -0.72 0.00 0.00 0.00 175.10 174.25 1s6u s TYR 47 N 1.65 1.76 -0.36 5.22 1.13 -0.38 -0.39 117.35 125.98 1s6u s TYR 47 Ca 0.04 -1.24 -0.09 0.00 -1.41 0.00 0.00 57.07 54.38 1s6u s TYR 47 Cb -0.21 -1.09 0.03 0.00 -1.10 0.00 0.00 41.96 39.60 1s6u s TYR 47 CO 0.08 -0.30 0.16 -1.14 -2.51 0.00 0.00 175.55 171.84 1s6u s GLN 48 N -3.79 2.72 -1.12 -3.49 0.74 0.08 -0.51 119.66 114.28 1s6u s GLN 48 Ca 0.30 -1.14 -0.19 0.00 0.05 0.00 0.00 55.36 54.38 1s6u s GLN 48 Cb 0.05 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 1s6u s GLN 48 CO 0.16 -0.69 1.97 -0.35 -0.55 0.00 0.00 175.29 175.83 1s6u n PRO 49 N 4.91 2.16 0.00 1.67 -0.04 -1.26 -1.61 135.00 140.83 1s6u n PRO 49 Ca -0.12 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1s6u n PRO 49 Cb 0.45 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 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 8.69 0.00 -0.01 0.54 8.25 -1.26 -5.00 115.22 126.43 1s6u n HIS 50 Ca 0.49 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.76 1s6u n HIS 50 Cb 0.42 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.40 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 0.29 -8.16 2.41 3.38 -1.62 -3.48 115.31 108.13 1s6u h LEU 51 Ca 0.00 -0.89 -0.29 0.00 0.09 0.00 0.00 57.88 56.79 1s6u h LEU 51 Cb 0.00 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 40.44 1s6u h LEU 51 CO 0.00 1.38 -0.74 -0.51 0.09 0.00 0.00 178.44 178.66 1s6u s ILE 52 N -2.39 0.57 0.22 1.22 1.10 -1.23 -4.83 121.20 115.86 1s6u s ILE 52 Ca -0.18 -1.02 0.05 0.00 -0.51 0.00 0.00 60.65 58.99 1s6u s ILE 52 Cb 0.01 -0.62 -0.03 0.00 0.15 0.00 0.00 42.46 41.98 1s6u s ILE 52 CO 0.76 -0.32 0.33 -0.94 -2.11 0.00 0.00 174.94 172.65 1s6u s SER 53 N -1.46 6.25 0.27 4.50 1.04 -1.26 -4.62 113.70 118.42 1s6u s SER 53 Ca -0.08 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1s6u s SER 53 Cb -0.09 -1.83 0.63 0.00 0.10 0.00 0.00 66.02 64.83 1s6u s SER 53 CO 0.00 -0.04 1.72 0.58 0.98 0.00 0.00 173.24 176.49 1s6u h VAL 54 N 1.32 0.57 0.37 5.02 2.07 -1.99 -1.49 116.25 122.13 1s6u h VAL 54 Ca -0.51 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1s6u h VAL 54 Cb 1.22 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1s6u h VAL 54 CO 0.63 0.09 -0.18 -0.08 0.02 0.00 0.00 177.57 178.05 1s6u h GLU 55 N 0.47 -0.48 -0.56 1.57 4.22 -1.98 0.92 114.58 118.73 1s6u h GLU 55 Ca 0.51 0.03 0.10 0.00 0.08 0.00 0.00 59.36 60.08 1s6u h GLU 55 Cb 0.87 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.12 1s6u h GLU 55 CO -0.46 -0.27 -0.33 0.93 -2.18 0.00 0.00 179.01 176.69 1s6u h GLU 56 N -0.57 -0.17 -0.06 1.92 5.08 -1.88 0.68 114.58 119.58 1s6u h GLU 56 Ca -0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s6u h GLU 56 Cb 0.43 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1s6u h GLU 56 CO 0.08 -0.11 -0.36 0.52 -1.00 0.00 0.00 179.01 178.14 1s6u h MET 57 N -0.17 -0.39 0.38 2.33 2.86 -0.90 -0.29 114.93 118.76 1s6u h MET 57 Ca 0.22 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1s6u h MET 57 Cb 0.55 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1s6u h MET 57 CO -0.66 -0.26 -0.27 -0.22 1.06 0.00 0.00 176.91 176.56 1s6u h LYS 58 N -0.40 -0.61 -0.86 1.72 3.64 0.16 0.34 116.57 120.57 1s6u h LYS 58 Ca 0.02 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.58 1s6u h LYS 58 Cb 0.46 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.27 1s6u h LYS 58 CO -0.27 -0.40 -0.29 1.17 -2.27 0.00 0.00 179.45 177.38 1s6u n LYS 59 N -4.03 -0.16 -0.06 1.90 0.00 0.23 0.72 118.16 116.76 1s6u n LYS 59 Ca -0.08 1.32 -0.12 0.00 0.00 0.00 0.00 58.31 59.44 1s6u n LYS 59 Cb 0.27 -1.97 -0.06 0.00 0.00 0.00 0.00 35.03 33.28 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 0.30 0.56 1.64 4.20 -0.89 -0.70 115.11 120.21 1s6u h GLN 60 Ca 0.34 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1s6u h GLN 60 Cb 0.55 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1s6u h GLN 60 CO -0.86 0.51 -0.27 0.82 -0.67 0.00 0.00 178.83 178.36 1s6u h ILE 61 N 0.05 0.00 -0.95 2.54 2.04 0.18 -3.00 117.51 118.36 1s6u h ILE 61 Ca 0.05 -0.21 0.29 0.00 1.00 0.00 0.00 64.86 65.99 1s6u h ILE 61 Cb 0.37 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.29 1s6u h ILE 61 CO 0.01 0.00 0.24 -0.08 0.00 0.00 0.00 178.15 178.32 1s6u h GLU 62 N -0.96 0.09 -0.50 2.37 4.81 0.19 0.14 114.58 120.72 1s6u h GLU 62 Ca -0.08 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1s6u h GLU 62 Cb 0.57 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1s6u h GLU 62 CO 0.13 0.06 0.35 0.00 -0.73 0.00 0.00 179.01 178.82 1s6u h ALA 63 N 1.91 2.29 -0.81 2.92 0.00 -0.98 0.27 119.26 124.86 1s6u h ALA 63 Ca 0.64 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.60 1s6u h ALA 63 Cb 1.42 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1s6u h ALA 63 CO -0.78 -0.43 0.49 0.52 0.00 0.00 0.00 179.25 179.06 1s6u h MET 64 N 0.13 0.88 0.00 0.00 2.86 -0.89 -3.46 114.93 114.44 1s6u h MET 64 Ca 0.23 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1s6u h MET 64 Cb 0.76 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1s6u h MET 64 CO -0.03 0.58 0.00 0.41 1.06 0.00 0.00 176.91 178.93 1s6u n GLY 65 N -1.32 0.78 3.64 8.32 0.00 0.97 -5.13 105.19 112.46 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 0.00 3.25 0.33 1.61 0.08 -1.24 -4.98 117.98 117.03 1s6u s PHE 66 Ca 0.00 1.26 -0.29 0.00 0.12 0.00 0.00 56.93 58.02 1s6u s PHE 66 Cb 0.00 -3.41 -0.10 0.00 -0.57 0.00 0.00 43.02 38.94 1s6u s PHE 66 CO 0.00 -0.59 1.30 -1.25 -0.10 0.00 0.00 175.22 174.58 1s6u s PRO 67 N 3.31 4.36 -0.03 0.24 0.04 -1.26 -3.85 135.00 137.81 1s6u s PRO 67 Ca 0.42 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.68 1s6u s PRO 67 Cb -0.14 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1s6u s PRO 67 CO 0.10 -0.18 -0.04 0.00 0.04 0.00 0.00 177.00 176.92 1s6u s ALA 68 N -1.14 0.57 -1.15 8.56 0.00 -1.26 -2.81 121.76 124.53 1s6u s ALA 68 Ca 0.49 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 1s6u s ALA 68 Cb -0.39 -0.33 0.20 0.00 0.00 0.00 0.00 23.12 22.60 1s6u s ALA 68 CO 0.53 0.02 1.29 -0.06 0.00 0.00 0.00 175.76 177.53 1s6u s PHE 69 N 0.66 3.73 -0.57 0.00 0.40 0.68 -4.89 117.98 117.98 1s6u s PHE 69 Ca -0.08 -2.26 -0.40 0.00 -0.60 0.00 0.00 56.93 53.59 1s6u s PHE 69 Cb -0.11 -4.15 -0.18 0.00 0.51 0.00 0.00 43.02 39.09 1s6u s PHE 69 CO -0.00 -1.25 2.26 1.55 0.70 0.00 0.00 175.22 178.48 1s6u n VAL 70 N 4.05 0.03 -3.20 -0.44 3.14 -1.26 -1.23 118.33 119.42 1s6u n VAL 70 Ca 0.31 -0.05 -0.21 0.00 -2.96 0.00 0.00 64.34 61.42 1s6u n VAL 70 Cb 0.42 -0.72 0.06 0.00 -1.06 0.00 0.00 33.84 32.54 1s6u n VAL 70 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1s6u s LYS 71 N 6.66 2.23 0.54 1.45 2.20 0.25 -4.97 119.74 128.10 1s6u s LYS 71 Ca 1.21 -1.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1s6u s LYS 71 Cb -1.33 -2.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 1s6u s LYS 71 CO 0.59 -0.90 0.85 0.21 -0.36 0.00 0.00 175.35 175.75 1s6u s LYS 72 N -4.64 3.30 0.14 4.03 2.36 -1.26 -4.44 119.74 119.23 1s6u s LYS 72 Ca 0.57 0.17 -0.30 0.00 -2.55 0.00 0.00 55.97 53.86 1s6u s LYS 72 Cb -0.05 -2.31 -0.07 0.00 -1.05 0.00 0.00 37.83 34.36 1s6u s LYS 72 CO 0.36 -0.43 1.11 0.42 1.55 0.00 0.00 175.35 178.35 1s6u s ILE 73 N -2.88 4.00 -0.39 5.43 1.01 -1.26 -4.29 121.20 122.81 1s6u s ILE 73 Ca 0.51 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.71 1s6u s ILE 73 Cb -0.10 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.39 1s6u s ILE 73 CO 0.46 0.24 0.21 -0.70 0.00 0.00 0.00 174.94 175.14 1s6u s GLU 74 N 0.04 2.59 0.00 2.79 2.12 -1.25 -5.00 118.70 119.99 1s6u s GLU 74 Ca 0.51 -1.37 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1s6u s GLU 74 Cb -0.29 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1s6u s GLU 74 CO 0.33 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 1s6u n GLY 75 N 4.87 2.80 0.00 -1.50 0.00 -1.26 -4.84 105.19 105.27 1s6u n GLY 75 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19