#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 0.17 -0.08 1.61 -1.05 -1.26 -4.75 118.70 113.34 1s6u s GLU 2 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 54.97 54.84 1s6u s GLU 2 Cb 0.00 0.08 0.01 0.00 -0.44 0.00 0.00 34.13 33.78 1s6u s GLU 2 CO 0.00 -0.06 -0.12 0.14 0.95 0.00 0.00 175.26 176.17 1s6u s VAL 3 N -1.44 1.20 -0.44 1.83 -7.23 0.48 -4.93 120.40 109.87 1s6u s VAL 3 Ca 0.08 -0.49 -0.26 0.00 -1.81 0.00 0.00 61.98 59.50 1s6u s VAL 3 Cb -0.01 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.85 1s6u s VAL 3 CO -0.05 0.37 0.96 0.54 -0.31 0.00 0.00 175.10 176.61 1s6u s VAL 4 N 0.81 4.46 -0.29 1.32 0.11 -1.26 -1.14 120.40 124.41 1s6u s VAL 4 Ca -0.11 0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 59.65 1s6u s VAL 4 Cb -0.15 -4.44 -0.01 0.00 -1.53 0.00 0.00 36.38 30.24 1s6u s VAL 4 CO 0.02 -0.80 0.60 -0.22 -3.33 0.00 0.00 175.10 171.37 1s6u s LEU 5 N 3.80 4.13 -0.11 2.54 2.96 0.25 -3.81 118.68 128.44 1s6u s LEU 5 Ca 0.39 0.44 -0.25 0.00 -0.22 0.00 0.00 54.13 54.48 1s6u s LEU 5 Cb -0.10 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 1s6u s LEU 5 CO 0.26 -0.43 0.81 -0.75 -1.32 0.00 0.00 176.35 174.92 1s6u s LYS 6 N 2.52 4.39 -0.08 1.98 2.47 -1.26 -1.07 119.74 128.69 1s6u s LYS 6 Ca 0.24 1.04 0.02 0.00 -1.56 0.00 0.00 55.97 55.70 1s6u s LYS 6 Cb -0.15 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.72 1s6u s LYS 6 CO 0.11 -0.15 -0.12 -1.64 0.16 0.00 0.00 175.35 173.71 1s6u s MET 7 N 1.50 1.73 -0.39 4.03 -1.94 0.28 -0.91 119.30 123.60 1s6u s MET 7 Ca 0.40 -0.40 -0.19 0.00 -1.71 0.00 0.00 55.69 53.79 1s6u s MET 7 Cb -0.18 -1.48 0.01 0.00 2.01 0.00 0.00 34.83 35.19 1s6u s MET 7 CO 0.17 -0.03 0.58 0.21 -0.01 0.00 0.00 175.02 175.94 1s6u s LYS 8 N 0.85 3.48 0.51 2.03 2.36 -0.63 -0.16 119.74 128.18 1s6u s LYS 8 Ca -0.11 -0.23 -0.02 0.00 -2.55 0.00 0.00 55.97 53.07 1s6u s LYS 8 Cb -0.15 -3.87 0.01 0.00 -1.05 0.00 0.00 37.83 32.77 1s6u s LYS 8 CO 0.01 -0.80 0.76 0.14 1.55 0.00 0.00 175.35 177.02 1s6u s VAL 9 N 2.58 3.67 0.16 4.02 -7.23 0.09 -0.29 120.40 123.40 1s6u s VAL 9 Ca 0.21 -0.36 0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1s6u s VAL 9 Cb -0.15 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1s6u s VAL 9 CO 0.15 -0.32 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.77 1s6u s GLU 10 N -4.73 1.40 0.00 4.82 0.41 -1.17 -4.68 118.70 114.76 1s6u s GLU 10 Ca 0.51 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1s6u s GLU 10 Cb -0.10 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1s6u s GLU 10 CO 0.40 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.98 1s6u n GLY 11 N 0.60 2.05 3.57 -1.39 0.00 -1.26 -4.72 105.19 104.05 1s6u n GLY 11 Ca -0.15 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 1.89 -0.54 1.61 -1.94 -1.26 -4.75 119.30 114.31 1s6u s MET 12 Ca 0.00 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 1s6u s MET 12 Cb 0.00 -5.07 0.41 0.00 2.01 0.00 0.00 34.83 32.18 1s6u s MET 12 CO 0.00 -4.55 1.38 2.41 -0.01 0.00 0.00 175.02 174.25 1s6u n THR 13 N 8.40 2.73 -3.61 2.05 -1.04 -1.26 -4.82 114.28 116.73 1s6u n THR 13 Ca 0.43 -4.66 -0.10 0.00 -2.04 0.00 0.00 64.05 57.68 1s6u n THR 13 Cb 0.46 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.70 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 2.03 0.66 0.67 0.00 3.86 -1.99 -3.24 115.15 117.14 1s6u h HIS 15 Ca -0.28 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 58.84 1s6u h HIS 15 Cb 1.28 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 1s6u h HIS 15 CO 0.31 0.60 -0.40 0.77 0.86 0.00 0.00 177.93 180.07 1s6u h SER 16 N 0.61 -1.02 0.58 2.45 0.02 -1.98 0.15 113.55 114.37 1s6u h SER 16 Ca 0.13 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1s6u h SER 16 Cb 0.32 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1s6u h SER 16 CO 0.01 -0.63 -0.39 0.00 -1.14 0.00 0.00 176.83 174.67 1s6u h THR 18 N -0.93 0.17 -0.57 0.00 1.35 -1.57 0.30 112.91 111.66 1s6u h THR 18 Ca -0.07 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1s6u h THR 18 Cb 0.77 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.33 1s6u h THR 18 CO 0.05 0.00 0.37 -1.28 -0.25 0.00 0.00 175.52 174.40 1s6u h SER 19 N -0.58 0.62 -0.27 5.36 0.87 -0.67 0.10 113.55 118.99 1s6u h SER 19 Ca 0.04 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1s6u h SER 19 Cb 0.65 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 1s6u h SER 19 CO -0.30 0.44 0.07 0.74 -0.53 0.00 0.00 176.83 177.26 1s6u h THR 20 N 0.74 0.90 -0.10 2.23 2.02 -0.21 0.18 112.91 118.66 1s6u h THR 20 Ca 0.22 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1s6u h THR 20 Cb -0.05 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1s6u h THR 20 CO -0.06 0.03 0.06 0.40 0.37 0.00 0.00 175.52 176.32 1s6u h ILE 21 N 0.18 1.08 -0.48 3.11 2.04 -0.59 0.32 117.51 123.17 1s6u h ILE 21 Ca 0.12 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1s6u h ILE 21 Cb 0.11 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1s6u h ILE 21 CO -0.15 0.07 -0.10 -0.33 0.00 0.00 0.00 178.15 177.65 1s6u h GLU 22 N 0.08 0.02 0.18 2.37 5.08 -0.36 0.16 114.58 122.11 1s6u h GLU 22 Ca 0.04 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1s6u h GLU 22 Cb 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1s6u h GLU 22 CO -0.01 0.01 -0.31 0.78 -1.00 0.00 0.00 179.01 178.49 1s6u h GLY 23 N 0.02 -0.62 0.81 -3.84 0.00 -0.36 0.26 103.07 99.34 1s6u h GLY 23 Ca 0.23 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1s6u h GLY 23 CO -0.48 -0.25 -0.20 1.70 0.00 0.00 0.00 176.54 177.32 1s6u h LYS 24 N -0.56 -0.53 -0.20 4.80 3.64 -0.10 -3.09 116.57 120.52 1s6u h LYS 24 Ca 0.02 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1s6u h LYS 24 Cb 0.57 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1s6u h LYS 24 CO -0.14 -0.25 -0.28 0.82 -2.27 0.00 0.00 179.45 177.32 1s6u h ILE 25 N -0.75 1.27 -1.16 2.00 1.08 -0.78 -1.89 117.51 117.28 1s6u h ILE 25 Ca -0.06 -1.28 0.33 0.00 -0.39 0.00 0.00 64.86 63.47 1s6u h ILE 25 Cb 0.52 1.42 -0.10 0.00 -3.07 0.00 0.00 36.82 35.59 1s6u h ILE 25 CO 0.09 0.40 0.75 1.23 -0.69 0.00 0.00 178.15 179.93 1s6u h GLY 26 N 1.04 1.13 0.08 5.37 0.00 -0.41 -0.28 103.07 109.99 1s6u h GLY 26 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1s6u h GLY 26 CO 0.05 -0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.55 1s6u n LYS 27 N -4.61 1.26 -2.40 4.80 4.81 -0.71 -4.91 118.16 116.41 1s6u n LYS 27 Ca 0.30 -0.39 -0.40 0.00 -0.87 0.00 0.00 58.31 56.94 1s6u n LYS 27 Cb 1.11 -1.33 -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 -1.57 4.52 -1.24 3.14 1.43 -0.12 -4.94 118.68 119.90 1s6u s LEU 28 Ca 0.29 2.35 -0.19 0.00 -1.03 0.00 0.00 54.13 55.55 1s6u s LEU 28 Cb 0.14 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.78 1s6u s LEU 28 CO 0.23 -0.23 1.71 0.00 0.23 0.00 0.00 176.35 178.29 1s6u s GLN 29 N -1.45 3.77 0.00 1.70 -2.07 -1.26 -3.03 119.66 117.32 1s6u s GLN 29 Ca 0.46 -1.75 0.00 0.00 -1.82 0.00 0.00 55.36 52.24 1s6u s GLN 29 Cb -0.34 -5.48 0.00 0.00 -1.09 0.00 0.00 33.01 26.11 1s6u s GLN 29 CO 0.43 -2.42 0.00 0.41 -1.32 0.00 0.00 175.29 172.39 1s6u n GLY 30 N 5.70 0.14 3.83 2.60 0.00 -1.26 -4.38 105.19 111.82 1s6u n GLY 30 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 4.34 -0.08 1.61 0.11 -1.17 -1.19 120.40 124.03 1s6u s VAL 31 Ca 0.00 1.30 0.02 0.00 -2.93 0.00 0.00 61.98 60.37 1s6u s VAL 31 Cb 0.00 -3.62 -0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1s6u s VAL 31 CO 0.00 -0.48 -0.05 0.00 -3.33 0.00 0.00 175.10 171.25 1s6u n GLN 32 N -1.16 0.97 -3.43 1.54 1.13 0.49 -4.84 117.38 112.07 1s6u n GLN 32 Ca 0.07 0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 55.04 1s6u n GLN 32 Cb 0.54 -1.17 -0.02 0.00 0.11 0.00 0.00 30.24 29.70 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 -2.16 1.23 -0.18 -1.09 3.52 -0.28 -5.03 118.95 114.96 1s6u s ARG 33 Ca -0.09 -0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 54.97 1s6u s ARG 33 Cb 0.03 0.57 0.05 0.00 -1.56 0.00 0.00 34.95 34.03 1s6u s ARG 33 CO 0.21 -0.53 0.46 -1.50 -0.81 0.00 0.00 175.30 173.14 1s6u s ILE 34 N -3.49 -0.01 0.01 4.11 2.07 -1.26 -0.14 121.20 122.50 1s6u s ILE 34 Ca 0.00 0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.22 1s6u s ILE 34 Cb -0.01 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 1s6u s ILE 34 CO -0.11 0.01 0.08 -0.54 -1.91 0.00 0.00 174.94 172.47 1s6u s LYS 35 N 0.57 0.45 -0.05 3.50 -0.14 0.82 -4.98 119.74 119.91 1s6u s LYS 35 Ca -0.03 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 1s6u s LYS 35 Cb -0.04 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.31 1s6u s LYS 35 CO -0.03 -0.10 -0.04 0.08 -0.76 0.00 0.00 175.35 174.50 1s6u s VAL 36 N -1.62 0.50 -0.90 3.17 1.01 -1.26 -0.11 120.40 121.19 1s6u s VAL 36 Ca -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1s6u s VAL 36 Cb -0.07 -0.54 0.22 0.00 0.00 0.00 0.00 36.38 35.99 1s6u s VAL 36 CO -0.00 0.22 0.79 -1.20 0.00 0.00 0.00 175.10 174.91 1s6u n SER 37 N 4.13 4.22 -0.31 3.32 7.64 0.61 -4.94 113.62 128.28 1s6u n SER 37 Ca -0.24 -3.14 0.07 0.00 1.01 0.00 0.00 58.87 56.57 1s6u n SER 37 Cb 0.51 -1.05 0.22 0.00 -1.01 0.00 0.00 64.21 62.88 1s6u n SER 37 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1s6u h LEU 38 N 5.94 0.68 -0.65 -3.43 8.10 -1.88 -0.21 115.31 123.85 1s6u h LEU 38 Ca 0.16 0.07 0.11 0.00 0.11 0.00 0.00 57.88 58.33 1s6u h LEU 38 Cb 0.80 -0.05 -0.12 0.00 -0.44 0.00 0.00 40.66 40.85 1s6u h LEU 38 CO 0.86 0.33 -0.37 0.44 -4.11 0.00 0.00 178.44 175.59 1s6u h ASP 39 N 0.76 -1.29 -0.60 0.17 5.19 -1.92 0.78 116.42 119.51 1s6u h ASP 39 Ca 0.47 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 57.12 1s6u h ASP 39 Cb 0.57 0.63 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1s6u h ASP 39 CO -0.31 -0.31 0.00 -3.20 -3.12 0.00 0.00 179.24 172.30 1s6u n ASN 40 N -5.43 4.90 -3.96 6.45 2.85 -0.89 -4.94 115.26 114.24 1s6u n ASN 40 Ca 0.04 -2.58 -0.29 0.00 -0.11 0.00 0.00 54.58 51.64 1s6u n ASN 40 Cb 0.36 -0.61 -0.04 0.00 1.24 0.00 0.00 39.78 40.73 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 0.92 -0.73 -4.31 1.20 7.27 0.27 -4.90 117.38 117.09 1s6u n GLN 41 Ca 0.25 0.01 -0.30 0.00 0.07 0.00 0.00 57.00 57.04 1s6u n GLN 41 Cb 0.96 -2.38 -0.11 0.00 2.41 0.00 0.00 30.24 31.12 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 -6.64 1.98 -0.04 3.69 2.12 -0.16 -0.73 118.70 118.91 1s6u s GLU 42 Ca 0.15 -1.08 0.04 0.00 0.36 0.00 0.00 54.97 54.44 1s6u s GLU 42 Cb -0.08 -2.21 -0.00 0.00 0.26 0.00 0.00 34.13 32.09 1s6u s GLU 42 CO 0.78 0.50 -0.15 0.00 -0.54 0.00 0.00 175.26 175.85 1s6u s ALA 43 N -1.15 1.38 -0.28 6.30 0.00 0.77 -0.29 121.76 128.49 1s6u s ALA 43 Ca 0.19 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1s6u s ALA 43 Cb -0.11 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1s6u s ALA 43 CO 0.11 0.23 -0.05 0.99 0.00 0.00 0.00 175.76 177.04 1s6u s THR 44 N 0.14 2.58 -0.32 0.00 2.01 0.85 -0.56 115.64 120.34 1s6u s THR 44 Ca -0.05 -1.53 0.03 0.00 0.31 0.00 0.00 61.69 60.45 1s6u s THR 44 Cb -0.11 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 69.98 1s6u s THR 44 CO 0.02 -0.08 0.02 -0.63 -0.69 0.00 0.00 174.62 173.26 1s6u s ILE 45 N 1.17 2.35 -0.44 1.82 -1.09 -0.23 -0.13 121.20 124.65 1s6u s ILE 45 Ca -0.07 -2.12 -0.16 0.00 -2.23 0.00 0.00 60.65 56.08 1s6u s ILE 45 Cb -0.20 -2.63 0.04 0.00 -1.58 0.00 0.00 42.46 38.09 1s6u s ILE 45 CO -0.03 -0.45 0.38 -0.69 -1.23 0.00 0.00 174.94 172.92 1s6u s VAL 46 N 0.98 5.19 0.28 2.92 1.01 0.80 -0.58 120.40 131.00 1s6u s VAL 46 Ca 0.05 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1s6u s VAL 46 Cb -0.20 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1s6u s VAL 46 CO -0.07 -0.46 0.01 -0.72 0.00 0.00 0.00 175.10 173.86 1s6u s TYR 47 N 1.81 1.80 -0.38 5.22 1.13 -0.29 -0.38 117.35 126.27 1s6u s TYR 47 Ca 0.07 -0.90 -0.14 0.00 -1.41 0.00 0.00 57.07 54.69 1s6u s TYR 47 Cb -0.21 -1.10 0.01 0.00 -1.10 0.00 0.00 41.96 39.56 1s6u s TYR 47 CO 0.10 0.04 0.27 -1.14 -2.51 0.00 0.00 175.55 172.30 1s6u s GLN 48 N -3.85 3.17 -1.13 -3.49 0.74 -0.33 -0.39 119.66 114.38 1s6u s GLN 48 Ca 0.32 -0.87 -0.17 0.00 0.05 0.00 0.00 55.36 54.69 1s6u s GLN 48 Cb 0.07 -3.90 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 1s6u s GLN 48 CO 0.12 -0.62 2.11 -0.35 -0.55 0.00 0.00 175.29 175.99 1s6u n PRO 49 N 5.13 2.23 0.00 1.67 -0.04 -1.26 -1.80 135.00 140.93 1s6u n PRO 49 Ca -0.12 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1s6u n PRO 49 Cb 0.48 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 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 6.62 -0.03 0.00 0.54 8.25 -1.26 -5.00 115.22 124.34 1s6u n HIS 50 Ca 0.51 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 1s6u n HIS 50 Cb 0.39 0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.36 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 0.32 -8.17 2.41 3.38 -1.67 -3.48 115.31 108.10 1s6u h LEU 51 Ca 0.00 -0.87 -0.13 0.00 0.09 0.00 0.00 57.88 56.97 1s6u h LEU 51 Cb 0.00 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.49 1s6u h LEU 51 CO 0.00 1.45 -0.66 -0.51 0.09 0.00 0.00 178.44 178.80 1s6u s ILE 52 N -2.41 0.20 0.28 1.22 1.10 -1.24 -4.83 121.20 115.52 1s6u s ILE 52 Ca -0.18 -1.61 0.07 0.00 -0.51 0.00 0.00 60.65 58.42 1s6u s ILE 52 Cb 0.02 -1.29 -0.03 0.00 0.15 0.00 0.00 42.46 41.31 1s6u s ILE 52 CO 0.76 -0.89 0.23 -0.94 -2.11 0.00 0.00 174.94 171.99 1s6u s SER 53 N -2.65 5.39 0.30 4.50 1.04 -1.26 -4.58 113.70 116.44 1s6u s SER 53 Ca 0.03 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1s6u s SER 53 Cb 0.05 -1.21 0.66 0.00 0.10 0.00 0.00 66.02 65.61 1s6u s SER 53 CO -0.08 -0.16 1.81 0.58 0.98 0.00 0.00 173.24 176.37 1s6u h VAL 54 N 1.41 0.82 -0.18 5.02 2.07 -1.99 -2.21 116.25 121.20 1s6u h VAL 54 Ca -0.47 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1s6u h VAL 54 Cb 1.24 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1s6u h VAL 54 CO 0.60 0.16 0.08 -0.08 0.02 0.00 0.00 177.57 178.35 1s6u h GLU 55 N 0.88 0.26 -0.21 1.57 4.57 -1.98 0.15 114.58 119.82 1s6u h GLU 55 Ca 0.53 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.72 1s6u h GLU 55 Cb 0.68 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 1s6u h GLU 55 CO -0.31 0.32 -0.33 0.93 -1.18 0.00 0.00 179.01 178.43 1s6u h GLU 56 N 0.15 -0.35 -0.09 1.92 5.08 -1.88 0.55 114.58 119.94 1s6u h GLU 56 Ca 0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1s6u h GLU 56 Cb 0.15 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1s6u h GLU 56 CO -0.01 -0.24 -0.36 0.52 -1.00 0.00 0.00 179.01 177.93 1s6u h MET 57 N -0.37 -0.37 0.62 2.33 2.86 -1.08 0.08 114.93 119.01 1s6u h MET 57 Ca 0.11 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1s6u h MET 57 Cb 0.55 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1s6u h MET 57 CO -0.41 -0.24 -0.40 -0.22 1.06 0.00 0.00 176.91 176.70 1s6u h LYS 58 N -0.38 -0.93 -0.64 1.72 3.64 -0.32 0.02 116.57 119.69 1s6u h LYS 58 Ca 0.02 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1s6u h LYS 58 Cb 0.45 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.35 1s6u h LYS 58 CO -0.29 -0.62 -0.20 -0.22 -2.27 0.00 0.00 179.45 175.86 1s6u h LYS 59 N -0.97 -0.03 -0.27 1.90 3.64 0.09 0.75 116.57 121.68 1s6u h LYS 59 Ca -0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1s6u h LYS 59 Cb 0.79 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1s6u h LYS 59 CO 0.06 -0.02 0.10 1.96 -2.27 0.00 0.00 179.45 179.28 1s6u h GLN 60 N -0.04 0.22 0.25 1.90 1.08 -0.73 0.66 115.11 118.47 1s6u h GLN 60 Ca 0.30 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 1s6u h GLN 60 Cb 0.49 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1s6u h GLN 60 CO -0.67 0.15 -0.12 0.82 -0.95 0.00 0.00 178.83 178.06 1s6u h ILE 61 N 0.23 0.00 -1.13 2.54 2.04 0.12 -3.21 117.51 118.09 1s6u h ILE 61 Ca 0.12 -0.20 0.32 0.00 1.00 0.00 0.00 64.86 66.11 1s6u h ILE 61 Cb 0.08 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.06 1s6u h ILE 61 CO -0.12 0.00 0.74 -0.08 0.00 0.00 0.00 178.15 178.69 1s6u h GLU 62 N -0.54 0.26 -0.57 2.37 4.81 0.30 0.96 114.58 122.18 1s6u h GLU 62 Ca -0.03 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1s6u h GLU 62 Cb 0.26 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1s6u h GLU 62 CO 0.06 0.17 0.39 0.00 -0.73 0.00 0.00 179.01 178.90 1s6u h ALA 63 N 1.60 2.30 -0.89 2.92 0.00 -0.86 0.21 119.26 124.53 1s6u h ALA 63 Ca 0.66 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.66 1s6u h ALA 63 Cb 1.88 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.59 1s6u h ALA 63 CO -0.31 -0.45 0.53 0.52 0.00 0.00 0.00 179.25 179.54 1s6u h MET 64 N 0.17 0.85 0.00 0.00 2.86 -0.83 -3.46 114.93 114.52 1s6u h MET 64 Ca 0.27 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1s6u h MET 64 Cb 0.84 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1s6u h MET 64 CO -0.04 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.90 1s6u n GLY 65 N -1.33 1.22 3.65 8.32 0.00 0.72 -5.12 105.19 112.65 1s6u n GLY 65 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.45 2.78 0.34 1.61 0.08 -1.25 -5.00 117.98 116.09 1s6u s PHE 66 Ca 0.00 0.96 -0.28 0.00 0.12 0.00 0.00 56.93 57.72 1s6u s PHE 66 Cb 0.00 -3.67 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 1s6u s PHE 66 CO 0.00 -1.69 1.32 -1.25 -0.10 0.00 0.00 175.22 173.50 1s6u s PRO 67 N 3.78 4.31 -0.02 0.24 0.04 -1.26 -4.05 135.00 138.03 1s6u s PRO 67 Ca 0.55 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1s6u s PRO 67 Cb -0.20 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1s6u s PRO 67 CO 0.18 -0.24 0.02 0.00 0.04 0.00 0.00 177.00 177.00 1s6u s ALA 68 N -1.15 0.16 -1.25 8.56 0.00 -1.26 -3.04 121.76 123.78 1s6u s ALA 68 Ca 0.50 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 1s6u s ALA 68 Cb -0.40 -0.25 0.16 0.00 0.00 0.00 0.00 23.12 22.63 1s6u s ALA 68 CO 0.53 -0.08 1.65 1.19 0.00 0.00 0.00 175.76 179.05 1s6u n PHE 69 N 4.06 4.11 -1.42 0.00 3.01 0.60 -4.88 117.46 122.95 1s6u n PHE 69 Ca -0.26 -3.10 -0.48 0.00 1.01 0.00 0.00 57.45 54.62 1s6u n PHE 69 Cb 0.51 -2.13 -0.12 0.00 -0.01 0.00 0.00 39.48 37.73 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1s6u n VAL 70 N 4.20 0.01 -2.68 -4.37 3.14 -1.26 -1.61 118.33 115.76 1s6u n VAL 70 Ca 0.39 -0.09 -0.22 0.00 -2.96 0.00 0.00 64.34 61.46 1s6u n VAL 70 Cb 0.40 -0.80 0.11 0.00 -1.06 0.00 0.00 33.84 32.49 1s6u n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1s6u n LYS 71 N 8.19 0.02 -1.84 1.45 4.76 -0.08 -5.00 118.16 125.66 1s6u n LYS 71 Ca 0.58 -2.73 -0.29 0.00 -2.87 0.00 0.00 58.31 52.99 1s6u n LYS 71 Cb 0.07 -0.58 0.08 0.00 -1.84 0.00 0.00 35.03 32.76 1s6u n LYS 71 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1s6u s LYS 72 N -4.98 2.16 0.47 1.97 3.01 -1.26 -4.55 119.74 116.56 1s6u s LYS 72 Ca 0.64 0.26 -0.19 0.00 -1.01 0.00 0.00 55.97 55.67 1s6u s LYS 72 Cb -0.04 -1.96 -0.09 0.00 -1.01 0.00 0.00 37.83 34.73 1s6u s LYS 72 CO 0.42 -1.49 0.99 0.96 0.51 0.00 0.00 175.35 176.74 1s6u s ILE 73 N -3.46 4.24 -0.44 2.17 -4.36 -1.26 -4.10 121.20 113.98 1s6u s ILE 73 Ca 0.61 1.29 -0.06 0.00 -0.26 0.00 0.00 60.65 62.24 1s6u s ILE 73 Cb -0.12 -3.57 0.11 0.00 1.25 0.00 0.00 42.46 40.13 1s6u s ILE 73 CO 0.51 -0.40 0.27 -1.61 0.24 0.00 0.00 174.94 173.95 1s6u s GLU 74 N -3.46 2.21 0.24 0.37 2.02 -1.25 -5.04 118.70 113.80 1s6u s GLU 74 Ca 0.63 -1.80 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 1s6u s GLU 74 Cb -0.11 -3.74 -0.09 0.00 0.10 0.00 0.00 34.13 30.29 1s6u s GLU 74 CO 0.20 -1.13 0.78 0.20 0.02 0.00 0.00 175.26 175.34 1s6u s GLY 75 N 2.21 2.70 0.00 -1.39 0.00 -1.26 -4.84 107.32 104.73 1s6u s GLY 75 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1s6u s GLY 75 CO -0.03 0.67 0.00 -2.13 0.00 0.00 0.00 173.10 171.61