#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b n SER 2 N 0.00 -7.49 -1.61 1.61 7.64 -1.26 -5.02 113.62 107.50 1x6b n SER 2 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x6b n SER 2 Cb 0.00 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1x6b n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6b n SER 3 N -4.14 -8.50 0.00 6.43 7.64 -1.26 -5.03 113.62 108.75 1x6b n SER 3 Ca -0.06 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1x6b n SER 3 Cb 0.62 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1x6b n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6b n GLY 4 N -0.10 -0.27 3.56 0.23 0.00 -1.26 -5.13 105.19 102.22 1x6b n GLY 4 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1x6b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6b s SER 5 N -2.58 -0.40 -0.06 1.61 0.01 -1.26 -5.17 113.70 105.86 1x6b s SER 5 Ca 0.00 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.60 1x6b s SER 5 Cb 0.00 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.61 1x6b s SER 5 CO 0.00 -0.42 0.12 -0.55 0.41 0.00 0.00 173.24 172.79 1x6b s SER 6 N -1.38 0.12 0.00 2.44 0.15 -1.26 -4.69 113.70 109.09 1x6b s SER 6 Ca -0.02 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1x6b s SER 6 Cb -0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1x6b s SER 6 CO 0.01 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1x6b n GLY 7 N 4.42 -2.13 3.33 9.45 0.00 -1.26 -4.94 105.19 114.07 1x6b n GLY 7 Ca -0.23 1.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.65 1x6b n GLY 7 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x6b n TRP 8 N 0.00 -2.29 -2.75 1.61 8.01 -1.26 -1.80 117.44 118.96 1x6b n TRP 8 Ca 0.00 0.90 -0.05 0.00 -1.31 0.00 0.00 57.50 57.04 1x6b n TRP 8 Cb 0.00 -4.84 0.01 0.00 -2.01 0.00 0.00 31.31 24.47 1x6b n TRP 8 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1x6b n GLN 9 N -4.21 -1.91 -3.14 -0.99 0.00 -1.26 -4.42 117.38 101.44 1x6b n GLN 9 Ca -0.16 1.83 -0.07 0.00 -0.00 0.00 0.00 57.00 58.59 1x6b n GLN 9 Cb 0.62 -5.26 0.01 0.00 0.00 0.00 0.00 30.24 25.60 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x6b n GLY 10 N -0.64 -0.82 2.75 1.69 0.00 -1.25 -5.00 105.19 101.92 1x6b n GLY 10 Ca 0.08 0.35 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 1x6b n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x6b s LEU 11 N -1.45 -0.15 0.17 0.99 2.96 -0.75 -4.99 118.68 115.48 1x6b s LEU 11 Ca 0.08 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1x6b s LEU 11 Cb -0.01 0.43 -0.03 0.00 0.50 0.00 0.00 46.19 47.08 1x6b s LEU 11 CO 0.34 -0.34 0.18 -0.94 -1.32 0.00 0.00 176.35 174.26 1x6b s SER 12 N 2.34 0.15 -0.15 3.68 1.04 -1.26 -4.78 113.70 114.72 1x6b s SER 12 Ca 0.08 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 1x6b s SER 12 Cb -0.15 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1x6b s SER 12 CO -0.18 -0.85 -0.09 0.28 0.98 0.00 0.00 173.24 173.38 1x6b h SER 13 N 2.64 0.00 -0.35 7.02 0.02 -2.02 -3.41 113.55 117.46 1x6b h SER 13 Ca -0.34 -0.08 -0.44 0.00 -0.84 0.00 0.00 61.79 60.09 1x6b h SER 13 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1x6b h SER 13 CO 0.52 0.83 1.49 0.29 -1.14 0.00 0.00 176.83 178.82 1x6b n LYS 14 N -4.61 1.66 -4.51 3.45 4.01 -1.26 -4.85 118.16 112.05 1x6b n LYS 14 Ca -0.10 -2.34 -0.24 0.00 -0.51 0.00 0.00 58.31 55.13 1x6b n LYS 14 Cb 0.30 -3.49 -0.10 0.00 -0.51 0.00 0.00 35.03 31.23 1x6b n LYS 14 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1x6b s GLY 15 N 5.92 2.27 -0.63 0.72 0.00 -1.26 -4.89 107.32 109.44 1x6b s GLY 15 Ca 0.64 -1.96 -0.20 0.00 0.00 0.00 0.00 44.72 43.20 1x6b s GLY 15 CO 0.13 -1.90 0.64 1.22 0.00 0.00 0.00 173.10 173.18 1x6b n ASP 16 N -0.83 -5.21 -4.70 1.64 8.00 -1.26 -4.96 116.55 109.22 1x6b n ASP 16 Ca -0.04 -0.54 -0.23 0.00 0.71 0.00 0.00 54.79 54.69 1x6b n ASP 16 Cb 0.67 -1.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 1x6b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x6b s LEU 17 N -3.66 3.35 0.63 0.64 1.43 -1.26 -5.12 118.68 114.69 1x6b s LEU 17 Ca 0.20 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 1x6b s LEU 17 Cb -0.02 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1x6b s LEU 17 CO 0.89 -0.06 1.05 -2.16 0.23 0.00 0.00 176.35 176.30 1x6b s PRO 18 N -3.74 3.19 0.03 1.29 0.04 -1.26 -4.89 135.00 129.65 1x6b s PRO 18 Ca 0.33 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.46 1x6b s PRO 18 Cb -0.06 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1x6b s PRO 18 CO 0.22 -0.90 -0.06 -0.65 0.04 0.00 0.00 177.00 175.64 1x6b s GLN 19 N -4.52 0.45 0.00 4.56 -0.21 -1.26 -1.25 119.66 117.42 1x6b s GLN 19 Ca 0.61 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 55.42 1x6b s GLN 19 Cb -0.15 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.62 1x6b s GLN 19 CO 0.45 0.05 -0.03 0.14 -2.12 0.00 0.00 175.29 173.78 1x6b s VAL 20 N -1.06 0.21 -0.30 1.09 -7.23 -1.06 -2.78 120.40 109.28 1x6b s VAL 20 Ca -0.08 -0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 1x6b s VAL 20 Cb -0.08 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 1x6b s VAL 20 CO 0.00 0.02 0.19 -0.70 -0.31 0.00 0.00 175.10 174.29 1x6b s GLU 21 N -0.18 3.73 0.21 4.82 2.12 -1.20 -1.99 118.70 126.22 1x6b s GLU 21 Ca -0.00 -0.47 -0.32 0.00 0.36 0.00 0.00 54.97 54.55 1x6b s GLU 21 Cb -0.02 -3.66 -0.11 0.00 0.26 0.00 0.00 34.13 30.60 1x6b s GLU 21 CO -0.00 -0.28 1.66 0.42 -0.54 0.00 0.00 175.26 176.52 1x6b s ILE 22 N 1.72 2.19 -0.16 -3.70 -1.09 0.16 -2.87 121.20 117.45 1x6b s ILE 22 Ca 0.06 0.14 0.20 0.00 -2.23 0.00 0.00 60.65 58.82 1x6b s ILE 22 Cb -0.16 -3.09 -0.12 0.00 -1.58 0.00 0.00 42.46 37.51 1x6b s ILE 22 CO 0.10 0.01 0.82 0.35 -1.23 0.00 0.00 174.94 174.99 1x6b n THR 23 N 3.66 0.84 -3.79 2.92 -2.24 -1.14 0.20 114.28 114.72 1x6b n THR 23 Ca 0.14 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1x6b n THR 23 Cb 0.36 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 1x6b n THR 23 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1x6b s LYS 24 N -3.14 0.56 0.21 -0.78 -2.85 -1.26 -4.43 119.74 108.05 1x6b s LYS 24 Ca -0.03 -0.12 -0.32 0.00 -1.00 0.00 0.00 55.97 54.50 1x6b s LYS 24 Cb 0.10 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 35.99 1x6b s LYS 24 CO 0.82 -0.14 1.65 0.00 0.10 0.00 0.00 175.35 177.78 1x6b n ALA 25 N 1.66 2.34 -3.73 0.59 0.00 -1.26 -4.52 120.51 115.59 1x6b n ALA 25 Ca -0.20 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1x6b n ALA 25 Cb 0.56 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 1x6b n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x6b s PHE 26 N 0.89 3.57 -0.59 0.00 5.36 -0.45 -4.89 117.98 121.87 1x6b s PHE 26 Ca 0.74 -2.95 -0.26 0.00 -0.96 0.00 0.00 56.93 53.51 1x6b s PHE 26 Cb -0.56 -3.12 -0.06 0.00 -0.34 0.00 0.00 43.02 38.94 1x6b s PHE 26 CO 0.37 -0.76 2.22 -0.06 -1.46 0.00 0.00 175.22 175.53 1x6b s PHE 27 N -0.72 1.30 0.37 10.12 0.08 -1.26 -2.43 117.98 125.44 1x6b s PHE 27 Ca 0.22 1.33 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 1x6b s PHE 27 Cb -0.14 -3.75 -0.11 0.00 -0.57 0.00 0.00 43.02 38.45 1x6b s PHE 27 CO -0.08 -2.31 1.17 0.00 -0.10 0.00 0.00 175.22 173.91 1x6b n ALA 28 N 15.17 0.79 -0.05 5.36 0.00 -1.26 -4.91 120.51 135.62 1x6b n ALA 28 Ca 0.33 0.31 -0.05 0.00 0.00 0.00 0.00 53.44 54.03 1x6b n ALA 28 Cb 0.52 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 1x6b n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x6b n LYS 29 N 0.35 2.39 -2.10 0.00 0.00 -1.26 -4.87 118.16 112.66 1x6b n LYS 29 Ca 0.07 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.24 1x6b n LYS 29 Cb 0.37 -1.25 0.06 0.00 -0.00 0.00 0.00 35.03 34.21 1x6b n LYS 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x6b n GLN 30 N -2.36 0.45 0.00 -1.58 1.13 -1.26 -5.01 117.38 108.75 1x6b n GLN 30 Ca -0.16 -1.93 0.12 0.00 -1.94 0.00 0.00 57.00 53.09 1x6b n GLN 30 Cb 0.81 -0.29 0.15 0.00 0.11 0.00 0.00 30.24 31.02 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x6b n ALA 31 N -2.74 3.61 -0.00 -1.58 0.00 -1.26 -3.86 120.51 114.67 1x6b n ALA 31 Ca -0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1x6b n ALA 31 Cb 0.39 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x6b n ASP 32 N -0.74 0.55 -4.47 0.00 5.68 -1.26 -4.94 116.55 111.38 1x6b n ASP 32 Ca 0.09 0.24 -0.28 0.00 -0.50 0.00 0.00 54.79 54.34 1x6b n ASP 32 Cb 0.38 0.60 0.14 0.00 -1.14 0.00 0.00 41.12 41.10 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x6b s GLU 33 N -2.91 1.25 -0.07 0.11 2.02 -1.25 0.60 118.70 118.44 1x6b s GLU 33 Ca -0.05 -0.35 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1x6b s GLU 33 Cb 0.09 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.38 1x6b s GLU 33 CO 0.83 -1.98 0.18 0.54 0.02 0.00 0.00 175.26 174.85 1x6b s VAL 34 N -3.66 -0.02 0.19 2.63 0.11 -1.24 -4.48 120.40 113.93 1x6b s VAL 34 Ca 0.69 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.50 1x6b s VAL 34 Cb -0.06 -0.27 -0.09 0.00 -1.53 0.00 0.00 36.38 34.42 1x6b s VAL 34 CO 0.50 0.03 1.40 -0.89 -3.33 0.00 0.00 175.10 172.80 1x6b s THR 35 N 0.52 2.99 0.28 5.04 2.01 -1.25 -4.23 115.64 120.99 1x6b s THR 35 Ca -0.04 0.78 0.03 0.00 0.31 0.00 0.00 61.69 62.78 1x6b s THR 35 Cb -0.05 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1x6b s THR 35 CO -0.03 0.10 0.04 -0.76 -0.69 0.00 0.00 174.62 173.29 1x6b s LEU 36 N 0.19 2.06 0.42 4.42 1.43 -1.02 -4.91 118.68 121.27 1x6b s LEU 36 Ca 0.61 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1x6b s LEU 36 Cb -0.39 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1x6b s LEU 36 CO 0.37 -0.60 0.08 -1.10 0.23 0.00 0.00 176.35 175.34 1x6b s GLN 37 N -3.91 1.96 -0.02 1.70 -1.52 -1.26 -1.34 119.66 115.26 1x6b s GLN 37 Ca 0.34 -2.19 -0.30 0.00 -1.95 0.00 0.00 55.36 51.26 1x6b s GLN 37 Cb 0.07 -0.91 -0.05 0.00 -0.22 0.00 0.00 33.01 31.90 1x6b s GLN 37 CO 0.13 -0.39 1.35 -1.14 -0.25 0.00 0.00 175.29 174.99 1x6b s GLN 38 N -3.78 4.30 -0.47 2.91 0.74 -1.26 -3.01 119.66 119.09 1x6b s GLN 38 Ca 0.22 1.89 -0.01 0.00 0.05 0.00 0.00 55.36 57.51 1x6b s GLN 38 Cb 0.04 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1x6b s GLN 38 CO 0.12 -0.55 0.39 0.00 -0.55 0.00 0.00 175.29 174.70 1x6b n ALA 39 N 5.36 -0.71 -3.20 1.58 0.00 0.53 -4.96 120.51 119.11 1x6b n ALA 39 Ca 0.13 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1x6b n ALA 39 Cb 0.44 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1x6b n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6b s ASP 40 N -3.44 4.33 0.16 0.00 1.11 -1.11 -4.84 116.67 112.87 1x6b s ASP 40 Ca 0.04 -0.30 -0.26 0.00 0.18 0.00 0.00 52.55 52.22 1x6b s ASP 40 Cb -0.02 -1.70 -0.08 0.00 1.07 0.00 0.00 42.92 42.19 1x6b s ASP 40 CO 0.28 0.10 0.80 -0.69 1.18 0.00 0.00 175.17 176.83 1x6b s VAL 41 N 0.77 4.38 -0.02 -1.27 1.01 -1.26 0.41 120.40 124.41 1x6b s VAL 41 Ca -0.03 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1x6b s VAL 41 Cb -0.15 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1x6b s VAL 41 CO 0.02 0.50 0.02 -0.69 0.00 0.00 0.00 175.10 174.94 1x6b s VAL 42 N -0.99 0.06 -0.46 2.92 1.01 -0.84 -3.09 120.40 119.01 1x6b s VAL 42 Ca 0.37 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1x6b s VAL 42 Cb -0.23 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1x6b s VAL 42 CO 0.27 0.12 0.82 -0.22 0.00 0.00 0.00 175.10 176.08 1x6b s LEU 43 N 1.05 4.20 0.36 3.92 2.96 0.86 -2.56 118.68 129.47 1x6b s LEU 43 Ca -0.09 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 1x6b s LEU 43 Cb -0.13 -3.00 -0.11 0.00 0.50 0.00 0.00 46.19 43.44 1x6b s LEU 43 CO -0.02 -0.96 1.46 -0.69 -1.32 0.00 0.00 176.35 174.82 1x6b s VAL 44 N 3.41 2.18 -0.00 1.68 1.01 -0.38 0.19 120.40 128.48 1x6b s VAL 44 Ca 0.31 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1x6b s VAL 44 Cb -0.12 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1x6b s VAL 44 CO 0.23 0.04 -0.00 0.18 0.00 0.00 0.00 175.10 175.55 1x6b n LEU 45 N 0.69 2.87 -3.69 3.92 4.77 0.51 -4.48 117.00 121.60 1x6b n LEU 45 Ca 0.01 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.39 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1x6b n LEU 45 CO 0.63 0.48 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.80 1x6b s GLN 46 N -2.01 0.00 -0.31 3.23 -0.21 -0.92 -4.99 119.66 114.46 1x6b s GLN 46 Ca -0.00 0.45 -0.13 0.00 0.02 0.00 0.00 55.36 55.70 1x6b s GLN 46 Cb 0.00 -0.33 -0.03 0.00 1.00 0.00 0.00 33.01 33.65 1x6b s GLN 46 CO 0.01 -0.28 0.25 -0.65 -2.12 0.00 0.00 175.29 172.49 1x6b s GLN 47 N 1.98 3.75 -0.20 2.91 -0.21 -1.26 0.62 119.66 127.25 1x6b s GLN 47 Ca 0.01 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 54.98 1x6b s GLN 47 Cb -0.12 -3.73 0.04 0.00 1.00 0.00 0.00 33.01 30.20 1x6b s GLN 47 CO -0.05 -0.33 -0.10 -2.00 -2.12 0.00 0.00 175.29 170.70 1x6b s GLU 48 N 1.81 1.99 -0.83 2.91 2.12 -0.24 -5.00 118.70 121.46 1x6b s GLU 48 Ca 0.08 -0.84 -0.33 0.00 0.36 0.00 0.00 54.97 54.25 1x6b s GLU 48 Cb -0.17 -2.40 -0.20 0.00 0.26 0.00 0.00 34.13 31.62 1x6b s GLU 48 CO 0.11 -0.43 2.43 -3.47 -0.54 0.00 0.00 175.26 173.35 1x6b n ASP 49 N 4.69 0.39 0.00 -1.70 -0.08 -1.26 0.14 116.55 118.73 1x6b n ASP 49 Ca -0.14 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1x6b n ASP 49 Cb 0.46 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 50 N 6.43 3.74 3.02 0.27 0.00 -1.26 -5.07 105.19 112.32 1x6b n GLY 50 Ca 0.60 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1x6b n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 51 N 0.00 0.13 -0.12 1.61 0.52 0.38 -4.70 118.94 116.76 1x6b s TRP 51 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 55.87 1x6b s TRP 51 Cb 0.00 -0.11 -0.00 0.00 -1.15 0.00 0.00 33.47 32.21 1x6b s TRP 51 CO 0.00 -0.20 -0.21 -0.51 0.02 0.00 0.00 176.95 176.06 1x6b s LEU 52 N -1.19 2.26 -0.05 2.99 2.01 0.48 -1.08 118.68 124.10 1x6b s LEU 52 Ca -0.13 -0.51 -0.04 0.00 0.01 0.00 0.00 54.13 53.46 1x6b s LEU 52 Cb -0.08 -1.47 -0.04 0.00 0.01 0.00 0.00 46.19 44.61 1x6b s LEU 52 CO 0.00 0.14 0.16 -0.47 1.01 0.00 0.00 176.35 177.19 1x6b s TYR 53 N 0.47 3.55 0.08 0.29 5.04 0.20 0.16 117.35 127.15 1x6b s TYR 53 Ca -0.14 0.42 -0.11 0.00 -2.44 0.00 0.00 57.07 54.79 1x6b s TYR 53 Cb -0.17 -1.87 0.04 0.00 0.35 0.00 0.00 41.96 40.31 1x6b s TYR 53 CO 0.06 0.68 0.54 0.41 -1.34 0.00 0.00 175.55 175.89 1x6b n GLY 54 N 1.37 0.90 3.12 8.97 0.00 -0.92 0.19 105.19 118.82 1x6b n GLY 54 Ca -0.15 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1x6b n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 55 N -2.02 2.59 -0.73 1.61 2.12 0.49 -1.87 118.70 120.88 1x6b s GLU 55 Ca 0.12 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.49 1x6b s GLU 55 Cb -0.01 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 1x6b s GLU 55 CO 0.03 -0.01 1.82 0.50 -0.54 0.00 0.00 175.26 177.05 1x6b s ARG 56 N 0.83 2.70 0.59 4.30 3.52 0.34 -0.10 118.95 131.13 1x6b s ARG 56 Ca -0.09 0.17 0.30 0.00 -0.13 0.00 0.00 55.73 55.98 1x6b s ARG 56 Cb -0.16 -4.63 1.25 0.00 -1.56 0.00 0.00 34.95 29.85 1x6b s ARG 56 CO -0.00 -2.86 1.60 -0.07 -0.81 0.00 0.00 175.30 173.16 1x6b h LEU 57 N 16.42 0.00 -0.30 -0.88 -0.00 -1.84 1.66 115.31 130.38 1x6b h LEU 57 Ca -0.13 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1x6b h LEU 57 Cb 1.10 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.71 1x6b h LEU 57 CO 1.23 0.00 -0.27 -0.09 -0.00 0.00 0.00 178.44 179.32 1x6b h ARG 58 N 0.00 -0.11 0.00 1.13 2.43 -1.87 -3.33 114.38 112.64 1x6b h ARG 58 Ca 0.40 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.53 1x6b h ARG 58 Cb 2.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.76 1x6b h ARG 58 CO -0.00 -0.07 -1.29 -0.25 -1.51 0.00 0.00 179.97 176.85 1x6b n ASP 59 N -3.99 3.82 0.00 -3.80 8.00 -0.47 -5.01 116.55 115.11 1x6b n ASP 59 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1x6b n ASP 59 Cb 0.14 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6b n GLY 60 N 2.49 1.30 3.71 0.44 0.00 0.56 -5.05 105.19 108.63 1x6b n GLY 60 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1x6b n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 61 N -0.41 4.24 -0.31 1.61 2.12 -1.19 -4.55 118.70 120.22 1x6b s GLU 61 Ca 0.00 2.26 -0.07 0.00 0.36 0.00 0.00 54.97 57.52 1x6b s GLU 61 Cb 0.00 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1x6b s GLU 61 CO 0.00 -0.61 0.09 0.99 -0.54 0.00 0.00 175.26 175.19 1x6b s THR 62 N 1.72 3.96 0.18 -1.70 2.01 -1.26 0.13 115.64 120.68 1x6b s THR 62 Ca 0.70 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1x6b s THR 62 Cb -0.40 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 1x6b s THR 62 CO 0.31 0.00 0.22 0.61 -0.69 0.00 0.00 174.62 175.07 1x6b n GLY 63 N 4.86 2.88 3.63 4.40 0.00 -0.78 -4.95 105.19 115.23 1x6b n GLY 63 Ca -0.14 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1x6b n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 64 N -3.56 3.28 -0.06 1.61 0.52 0.20 -2.16 118.94 118.77 1x6b s TRP 64 Ca 0.16 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.66 1x6b s TRP 64 Cb -0.00 -2.43 -0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1x6b s TRP 64 CO 0.12 -0.09 -0.19 -0.59 0.02 0.00 0.00 176.95 176.22 1x6b s PHE 65 N 1.57 1.96 0.56 -1.98 -0.12 0.43 -3.63 117.98 116.77 1x6b s PHE 65 Ca 0.12 -0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 56.19 1x6b s PHE 65 Cb -0.15 -1.32 -0.05 0.00 -0.63 0.00 0.00 43.02 40.87 1x6b s PHE 65 CO 0.08 -0.24 1.05 -1.25 -0.05 0.00 0.00 175.22 174.81 1x6b s PRO 66 N 0.15 3.48 0.15 1.99 0.04 -1.26 -0.39 135.00 139.17 1x6b s PRO 66 Ca -0.08 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 1x6b s PRO 66 Cb -0.14 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1x6b s PRO 66 CO 0.04 -0.68 1.35 1.05 0.04 0.00 0.00 177.00 178.80 1x6b h GLU 67 N 0.71 0.34 -0.12 4.56 4.11 -1.88 -2.98 114.58 119.33 1x6b h GLU 67 Ca -0.47 -0.35 0.03 0.00 0.07 0.00 0.00 59.36 58.64 1x6b h GLU 67 Cb 1.22 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x6b h GLU 67 CO 0.58 1.03 0.39 0.22 0.07 0.00 0.00 179.01 181.30 1x6b h ASP 68 N 0.20 0.00 -0.33 3.06 1.82 -1.94 1.47 116.42 120.70 1x6b h ASP 68 Ca -0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1x6b h ASP 68 Cb 1.50 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.51 1x6b h ASP 68 CO 0.15 0.00 0.00 0.49 -1.61 0.00 0.00 179.24 178.27 1x6b n PHE 69 N -3.10 1.19 -3.95 0.28 3.01 -1.13 -4.98 117.46 108.78 1x6b n PHE 69 Ca 0.01 -0.87 -0.09 0.00 1.01 0.00 0.00 57.45 57.50 1x6b n PHE 69 Cb 0.47 -0.36 -0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1x6b n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x6b s ALA 70 N -2.84 -0.34 -0.16 4.37 0.00 0.50 -2.91 121.76 120.39 1x6b s ALA 70 Ca 0.45 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 1x6b s ALA 70 Cb 0.36 1.01 0.06 0.00 0.00 0.00 0.00 23.12 24.54 1x6b s ALA 70 CO 0.10 -0.82 0.08 1.03 0.00 0.00 0.00 175.76 176.15 1x6b s ARG 71 N -3.99 0.12 -0.68 0.00 0.52 -1.14 -4.82 118.95 108.96 1x6b s ARG 71 Ca 0.20 -0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 1x6b s ARG 71 Cb -0.00 -1.75 -0.13 0.00 0.52 0.00 0.00 34.95 33.59 1x6b s ARG 71 CO 0.06 -0.64 2.51 1.19 0.02 0.00 0.00 175.30 178.45 1x6b n PHE 72 N 5.26 1.11 0.07 -0.53 3.72 -1.26 -3.23 117.46 122.60 1x6b n PHE 72 Ca -0.07 0.20 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 1x6b n PHE 72 Cb 0.49 -2.53 -0.05 0.00 -0.94 0.00 0.00 39.48 36.45 1x6b n PHE 72 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x6b h ILE 73 N 7.80 0.53 -2.26 4.37 2.04 -1.90 -3.44 117.51 124.65 1x6b h ILE 73 Ca -0.17 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1x6b h ILE 73 Cb 1.28 0.53 -0.23 0.00 -0.74 0.00 0.00 36.82 37.66 1x6b h ILE 73 CO 1.24 0.00 -0.05 -0.44 0.00 0.00 0.00 178.15 178.90 1x6b s SER 74 N -4.92 -0.71 0.00 1.72 0.01 -1.26 -5.13 113.70 103.42 1x6b s SER 74 Ca -0.15 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1x6b s SER 74 Cb 0.08 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1x6b s SER 74 CO 0.66 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1x6b n GLY 75 N 3.51 5.08 3.81 3.44 0.00 -1.26 -4.35 105.19 115.41 1x6b n GLY 75 Ca -0.17 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1x6b n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6b s PRO 76 N 2.39 3.41 -0.27 1.61 0.04 -1.26 -5.04 135.00 135.88 1x6b s PRO 76 Ca 0.00 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 1x6b s PRO 76 Cb 0.00 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x6b s PRO 76 CO 0.00 -0.74 -0.06 0.45 0.04 0.00 0.00 177.00 176.69 1x6b s SER 77 N -2.82 4.49 0.09 6.66 0.15 -1.26 -5.01 113.70 116.01 1x6b s SER 77 Ca 0.63 -1.17 -0.36 0.00 0.70 0.00 0.00 55.95 55.76 1x6b s SER 77 Cb -0.15 -1.63 -0.17 0.00 -1.71 0.00 0.00 66.02 62.36 1x6b s SER 77 CO 0.36 -0.19 1.56 0.77 1.20 0.00 0.00 173.24 176.95 1x6b h SER 78 N 7.93 -1.43 0.00 5.45 4.64 -2.09 -3.58 113.55 124.47 1x6b h SER 78 Ca -0.25 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1x6b h SER 78 Cb 1.07 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1x6b h SER 78 CO 0.53 -0.65 0.00 0.61 -0.87 0.00 0.00 176.83 176.45