#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b s SER 2 N 0.00 -0.15 0.00 1.61 0.15 -1.26 -5.17 113.70 108.88 1x6b s SER 2 Ca 0.00 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 1x6b s SER 2 Cb 0.00 1.15 -0.01 0.00 -1.71 0.00 0.00 66.02 65.45 1x6b s SER 2 CO 0.00 -0.03 0.02 -0.94 1.20 0.00 0.00 173.24 173.49 1x6b s SER 3 N 2.45 0.10 -0.15 5.45 1.04 -1.26 -4.97 113.70 116.36 1x6b s SER 3 Ca -0.03 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1x6b s SER 3 Cb -0.04 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x6b s SER 3 CO -0.13 -0.19 0.18 0.61 0.98 0.00 0.00 173.24 174.68 1x6b n GLY 4 N 2.16 -0.75 3.54 7.32 0.00 -1.26 -5.10 105.19 111.10 1x6b n GLY 4 Ca -0.19 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1x6b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6b s SER 5 N -1.76 -0.28 0.41 1.61 1.04 -1.26 -5.09 113.70 108.36 1x6b s SER 5 Ca 0.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x6b s SER 5 Cb -0.01 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x6b s SER 5 CO 0.21 -0.47 0.00 -1.20 0.98 0.00 0.00 173.24 172.77 1x6b n SER 6 N -0.14 -3.48 -0.09 7.02 7.64 -1.26 -5.16 113.62 118.16 1x6b n SER 6 Ca -0.05 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1x6b n SER 6 Cb 0.60 3.30 0.00 0.00 -1.01 0.00 0.00 64.21 67.10 1x6b n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6b n GLY 7 N -1.24 0.77 2.82 0.23 0.00 -1.26 -4.76 105.19 101.75 1x6b n GLY 7 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1x6b n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 8 N 0.00 -0.52 0.01 1.61 0.52 -1.26 -5.06 118.94 114.23 1x6b s TRP 8 Ca 0.00 0.44 -0.02 0.00 0.02 0.00 0.00 56.10 56.54 1x6b s TRP 8 Cb 0.00 -0.21 -0.01 0.00 -1.15 0.00 0.00 33.47 32.10 1x6b s TRP 8 CO 0.00 -0.68 1.04 0.37 0.02 0.00 0.00 176.95 177.70 1x6b h GLN 9 N 8.25 -0.02 0.00 4.98 4.15 -1.93 -3.41 115.11 127.13 1x6b h GLN 9 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1x6b h GLN 9 Cb 1.15 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1x6b h GLN 9 CO 0.28 -0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.58 1x6b n GLY 10 N -1.02 -3.00 1.16 2.39 0.00 -1.26 -4.91 105.19 98.54 1x6b n GLY 10 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1x6b n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6b n LEU 11 N 0.00 -3.65 0.28 0.99 4.77 -1.26 -4.70 117.00 113.43 1x6b n LEU 11 Ca 0.00 1.29 0.17 0.00 -0.03 0.00 0.00 56.01 57.44 1x6b n LEU 11 Cb 0.00 -1.86 0.90 0.00 -2.33 0.00 0.00 43.42 40.13 1x6b n LEU 11 CO 0.00 -0.74 1.05 0.77 -1.33 0.00 0.00 177.39 177.14 1x6b h SER 12 N 1.72 0.00 -2.15 -1.43 4.64 -1.97 -3.42 113.55 110.95 1x6b h SER 12 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1x6b h SER 12 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1x6b h SER 12 CO 0.00 0.00 -0.15 -0.44 -0.87 0.00 0.00 176.83 175.37 1x6b s SER 13 N -4.55 5.57 -0.08 4.97 0.01 -1.26 -4.72 113.70 113.64 1x6b s SER 13 Ca -0.04 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 1x6b s SER 13 Cb 0.10 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.37 1x6b s SER 13 CO 0.30 -0.86 0.12 2.29 0.41 0.00 0.00 173.24 175.49 1x6b n LYS 14 N -2.06 -0.44 0.00 12.44 0.00 -1.26 -4.75 118.16 122.08 1x6b n LYS 14 Ca 0.06 0.58 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1x6b n LYS 14 Cb 0.59 -0.77 0.00 0.00 -0.00 0.00 0.00 35.03 34.85 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6b n GLY 15 N 0.68 -2.18 1.44 2.58 0.00 -1.26 -4.92 105.19 101.53 1x6b n GLY 15 Ca -0.02 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 1x6b n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6b n ASP 16 N -1.43 2.85 -4.79 1.61 8.00 -1.26 -5.02 116.55 116.52 1x6b n ASP 16 Ca 0.00 -3.76 -0.30 0.00 0.71 0.00 0.00 54.79 51.44 1x6b n ASP 16 Cb 0.00 -0.68 0.10 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.29 2.59 0.78 0.64 1.43 -1.26 -5.03 118.68 114.54 1x6b s LEU 17 Ca 0.48 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 1x6b s LEU 17 Cb 0.43 -3.99 0.06 0.00 0.03 0.00 0.00 46.19 42.71 1x6b s LEU 17 CO 0.02 -2.06 1.09 -2.16 0.23 0.00 0.00 176.35 173.46 1x6b s PRO 18 N -5.09 2.27 -0.00 1.29 0.04 -1.26 -4.92 135.00 127.33 1x6b s PRO 18 Ca 0.61 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1x6b s PRO 18 Cb -0.15 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x6b s PRO 18 CO 0.55 -1.51 0.23 -0.65 0.04 0.00 0.00 177.00 175.66 1x6b s GLN 19 N -5.13 0.60 -0.01 4.56 -0.21 -1.26 -1.65 119.66 116.55 1x6b s GLN 19 Ca 0.60 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.68 1x6b s GLN 19 Cb -0.14 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1x6b s GLN 19 CO 0.54 -0.16 -0.05 0.14 -2.12 0.00 0.00 175.29 173.65 1x6b s VAL 20 N -1.47 0.44 -0.29 1.09 -7.23 -0.98 -2.55 120.40 109.42 1x6b s VAL 20 Ca -0.13 -0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 59.67 1x6b s VAL 20 Cb -0.06 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 1x6b s VAL 20 CO 0.02 0.15 0.50 -0.70 -0.31 0.00 0.00 175.10 174.77 1x6b s GLU 21 N 0.17 3.94 -0.34 4.82 2.12 -0.85 -1.99 118.70 126.58 1x6b s GLU 21 Ca -0.02 0.17 -0.28 0.00 0.36 0.00 0.00 54.97 55.20 1x6b s GLU 21 Cb -0.06 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 1x6b s GLU 21 CO -0.00 -0.43 1.96 0.42 -0.54 0.00 0.00 175.26 176.67 1x6b s ILE 22 N 2.32 3.31 0.30 -3.70 -1.09 0.50 -2.63 121.20 120.21 1x6b s ILE 22 Ca 0.20 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1x6b s ILE 22 Cb -0.16 -3.46 0.13 0.00 -1.58 0.00 0.00 42.46 37.40 1x6b s ILE 22 CO 0.10 -0.32 1.81 0.71 -1.23 0.00 0.00 174.94 176.01 1x6b h THR 23 N 6.97 1.22 -3.62 2.92 1.35 -1.84 1.94 112.91 121.85 1x6b h THR 23 Ca -0.34 -0.94 -0.16 0.00 -0.55 0.00 0.00 66.41 64.42 1x6b h THR 23 Cb 1.19 0.99 -0.21 0.00 -1.73 0.00 0.00 68.15 68.39 1x6b h THR 23 CO 1.04 0.32 -0.55 -1.59 -0.25 0.00 0.00 175.52 174.48 1x6b s LYS 24 N -4.90 0.40 0.88 4.72 -2.85 -1.26 -4.13 119.74 112.60 1x6b s LYS 24 Ca -0.08 -0.38 -0.15 0.00 -1.00 0.00 0.00 55.97 54.35 1x6b s LYS 24 Cb 0.15 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 36.02 1x6b s LYS 24 CO 0.78 -0.09 -0.03 0.00 0.10 0.00 0.00 175.35 176.12 1x6b n ALA 25 N 1.68 -3.41 -3.41 0.59 0.00 -1.26 -4.65 120.51 110.06 1x6b n ALA 25 Ca -0.22 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 1x6b n ALA 25 Cb 0.56 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.12 0.75 -0.18 0.00 5.36 -0.29 -4.91 117.98 116.58 1x6b s PHE 26 Ca 0.53 -1.85 -0.28 0.00 -0.96 0.00 0.00 56.93 54.36 1x6b s PHE 26 Cb -0.26 -0.85 -0.05 0.00 -0.34 0.00 0.00 43.02 41.52 1x6b s PHE 26 CO 0.71 -0.85 2.16 -0.06 -1.46 0.00 0.00 175.22 175.71 1x6b s PHE 27 N 0.65 1.22 0.20 10.12 0.08 -1.26 -2.83 117.98 126.15 1x6b s PHE 27 Ca 0.25 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.38 1x6b s PHE 27 Cb -0.10 -3.98 -0.09 0.00 -0.57 0.00 0.00 43.02 38.27 1x6b s PHE 27 CO -0.08 -4.25 1.43 0.00 -0.10 0.00 0.00 175.22 172.22 1x6b s ALA 28 N 7.64 3.63 -0.10 5.36 0.00 -1.26 -4.89 121.76 132.14 1x6b s ALA 28 Ca 0.97 1.25 0.09 0.00 0.00 0.00 0.00 51.96 54.28 1x6b s ALA 28 Cb -0.34 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.10 1x6b s ALA 28 CO 0.36 -0.68 0.04 0.36 0.00 0.00 0.00 175.76 175.83 1x6b n LYS 29 N 3.05 2.28 -2.46 0.00 0.00 -1.26 -4.91 118.16 114.85 1x6b n LYS 29 Ca 0.09 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.15 1x6b n LYS 29 Cb 0.41 -1.27 0.13 0.00 -0.00 0.00 0.00 35.03 34.30 1x6b n LYS 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1x6b s GLN 30 N -2.26 1.44 0.00 -1.58 -0.21 -1.26 -4.99 119.66 110.80 1x6b s GLN 30 Ca -0.05 -1.00 0.26 0.00 0.02 0.00 0.00 55.36 54.59 1x6b s GLN 30 Cb 0.03 -2.23 0.70 0.00 1.00 0.00 0.00 33.01 32.50 1x6b s GLN 30 CO 0.42 -1.67 1.53 0.00 -2.12 0.00 0.00 175.29 173.46 1x6b n ALA 31 N -3.03 3.12 0.32 6.09 0.00 -1.26 -3.57 120.51 122.17 1x6b n ALA 31 Ca 0.15 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.24 1x6b n ALA 31 Cb 0.60 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 1x6b n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x6b n ASP 32 N -0.60 1.21 -4.88 0.00 -0.08 -1.26 -4.99 116.55 105.95 1x6b n ASP 32 Ca 0.12 -0.41 -0.30 0.00 -1.51 0.00 0.00 54.79 52.69 1x6b n ASP 32 Cb 0.36 1.33 0.02 0.00 2.34 0.00 0.00 41.12 45.16 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1x6b s GLU 33 N -2.64 3.38 -0.00 -0.67 2.02 -1.23 0.14 118.70 119.70 1x6b s GLU 33 Ca -0.00 0.57 0.02 0.00 0.02 0.00 0.00 54.97 55.57 1x6b s GLU 33 Cb 0.10 -2.12 -0.00 0.00 0.10 0.00 0.00 34.13 32.20 1x6b s GLU 33 CO 0.58 -0.63 -0.06 0.54 0.02 0.00 0.00 175.26 175.70 1x6b s VAL 34 N -3.15 0.50 0.16 2.63 0.11 -1.17 -4.59 120.40 114.89 1x6b s VAL 34 Ca 0.55 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1x6b s VAL 34 Cb -0.11 -0.42 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 1x6b s VAL 34 CO 0.52 0.14 1.16 -0.89 -3.33 0.00 0.00 175.10 172.70 1x6b s THR 35 N -0.14 3.77 0.19 5.04 2.01 -1.25 -4.27 115.64 120.98 1x6b s THR 35 Ca 0.02 1.46 0.05 0.00 0.31 0.00 0.00 61.69 63.53 1x6b s THR 35 Cb -0.02 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1x6b s THR 35 CO -0.00 0.21 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.28 1x6b s LEU 36 N -0.02 2.49 0.50 4.42 1.43 -1.13 -4.92 118.68 121.45 1x6b s LEU 36 Ca 0.53 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1x6b s LEU 36 Cb -0.31 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 1x6b s LEU 36 CO 0.34 -0.31 0.23 -1.10 0.23 0.00 0.00 176.35 175.75 1x6b s GLN 37 N -3.73 2.23 0.01 1.70 -1.52 -1.26 -1.13 119.66 115.96 1x6b s GLN 37 Ca 0.21 -2.07 -0.30 0.00 -1.95 0.00 0.00 55.36 51.24 1x6b s GLN 37 Cb 0.02 -1.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 1x6b s GLN 37 CO 0.04 -0.41 1.27 -1.14 -0.25 0.00 0.00 175.29 174.81 1x6b s GLN 38 N -4.06 4.35 -0.52 2.91 -0.44 -1.26 -3.08 119.66 117.56 1x6b s GLN 38 Ca 0.28 1.82 -0.01 0.00 -2.50 0.00 0.00 55.36 54.95 1x6b s GLN 38 Cb 0.01 -3.47 0.00 0.00 -1.64 0.00 0.00 33.01 27.91 1x6b s GLN 38 CO 0.16 -0.42 0.44 0.00 0.50 0.00 0.00 175.29 175.97 1x6b n ALA 39 N 4.75 -0.73 -2.83 1.58 0.00 0.66 -4.97 120.51 118.97 1x6b n ALA 39 Ca 0.11 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 1x6b n ALA 39 Cb 0.45 -1.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.40 4.39 -0.01 0.00 1.11 -1.10 -4.84 116.67 112.81 1x6b s ASP 40 Ca 0.09 -0.18 -0.14 0.00 0.18 0.00 0.00 52.55 52.50 1x6b s ASP 40 Cb -0.04 -1.44 -0.06 0.00 1.07 0.00 0.00 42.92 42.46 1x6b s ASP 40 CO 0.30 0.24 0.39 -0.69 1.18 0.00 0.00 175.17 176.60 1x6b s VAL 41 N -0.09 5.06 -0.03 -1.27 1.01 -1.26 0.19 120.40 124.01 1x6b s VAL 41 Ca -0.00 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1x6b s VAL 41 Cb -0.13 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1x6b s VAL 41 CO 0.03 0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 174.98 1x6b s VAL 42 N -0.99 0.41 -0.46 2.92 1.01 -0.84 -3.02 120.40 119.42 1x6b s VAL 42 Ca 0.23 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1x6b s VAL 42 Cb -0.16 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1x6b s VAL 42 CO 0.13 0.18 0.85 -0.22 0.00 0.00 0.00 175.10 176.03 1x6b s LEU 43 N 0.67 4.15 0.37 3.92 2.96 0.88 -2.32 118.68 129.30 1x6b s LEU 43 Ca -0.08 -0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.53 1x6b s LEU 43 Cb -0.11 -3.06 -0.11 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO -0.00 -0.98 1.50 -0.69 -1.32 0.00 0.00 176.35 174.86 1x6b s VAL 44 N 3.50 2.04 0.00 1.68 1.01 -0.66 0.19 120.40 128.17 1x6b s VAL 44 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1x6b s VAL 44 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1x6b s VAL 44 CO 0.24 0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.53 1x6b n LEU 45 N 0.69 2.58 -3.66 3.92 4.77 0.51 -4.56 117.00 121.26 1x6b n LEU 45 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1x6b n LEU 45 Cb 0.39 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.30 1x6b n LEU 45 CO 0.64 0.43 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.69 1x6b s GLN 46 N -1.96 0.01 -0.36 3.23 -0.21 -0.66 -4.98 119.66 114.72 1x6b s GLN 46 Ca 0.00 0.21 -0.18 0.00 0.02 0.00 0.00 55.36 55.41 1x6b s GLN 46 Cb 0.00 -0.97 0.00 0.00 1.00 0.00 0.00 33.01 33.04 1x6b s GLN 46 CO 0.00 -0.44 0.53 -0.65 -2.12 0.00 0.00 175.29 172.61 1x6b s GLN 47 N 2.15 3.56 -0.20 2.91 -0.21 -1.26 0.74 119.66 127.34 1x6b s GLN 47 Ca 0.04 -0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.23 1x6b s GLN 47 Cb -0.13 -3.83 0.04 0.00 1.00 0.00 0.00 33.01 30.08 1x6b s GLN 47 CO -0.05 -0.70 -0.14 -2.00 -2.12 0.00 0.00 175.29 170.28 1x6b s GLU 48 N 2.44 2.39 -0.85 2.91 2.12 0.02 -4.99 118.70 122.74 1x6b s GLU 48 Ca 0.19 -0.93 -0.33 0.00 0.36 0.00 0.00 54.97 54.26 1x6b s GLU 48 Cb -0.15 -2.54 -0.21 0.00 0.26 0.00 0.00 34.13 31.49 1x6b s GLU 48 CO 0.14 -0.38 2.49 -0.25 -0.54 0.00 0.00 175.26 176.72 1x6b n ASP 49 N 4.61 0.39 0.00 -1.70 8.00 -1.26 0.16 116.55 126.75 1x6b n ASP 49 Ca -0.17 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1x6b n ASP 49 Cb 0.47 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6b n GLY 50 N 6.55 3.53 3.01 0.44 0.00 -1.26 -5.06 105.19 112.40 1x6b n GLY 50 Ca 0.61 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 0.71 -0.25 1.61 0.52 0.41 -4.54 118.94 117.41 1x6b s TRP 51 Ca 0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 56.10 55.96 1x6b s TRP 51 Cb 0.00 -0.46 0.02 0.00 -1.15 0.00 0.00 33.47 31.89 1x6b s TRP 51 CO 0.00 -0.01 -0.06 -0.51 0.02 0.00 0.00 176.95 176.39 1x6b s LEU 52 N -0.23 3.18 0.15 2.99 2.01 0.12 -0.80 118.68 126.10 1x6b s LEU 52 Ca 0.03 -0.84 -0.19 0.00 0.01 0.00 0.00 54.13 53.14 1x6b s LEU 52 Cb -0.03 -1.67 -0.07 0.00 0.01 0.00 0.00 46.19 44.42 1x6b s LEU 52 CO -0.00 -0.12 0.64 -0.47 1.01 0.00 0.00 176.35 177.41 1x6b s TYR 53 N 1.34 3.73 0.01 0.29 5.04 0.23 -0.68 117.35 127.30 1x6b s TYR 53 Ca 0.01 1.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1x6b s TYR 53 Cb -0.16 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 39.60 1x6b s TYR 53 CO -0.04 0.46 0.03 0.41 -1.34 0.00 0.00 175.55 175.07 1x6b n GLY 54 N 1.18 1.65 3.00 8.97 0.00 -0.93 0.19 105.19 119.26 1x6b n GLY 54 Ca -0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 1.63 -0.17 1.61 -6.30 0.51 -2.04 118.70 111.93 1x6b s GLU 55 Ca 0.01 -0.37 -0.29 0.00 -2.50 0.00 0.00 54.97 51.81 1x6b s GLU 55 Cb -0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 34.13 32.69 1x6b s GLU 55 CO 0.00 -0.03 1.62 0.50 0.02 0.00 0.00 175.26 177.38 1x6b s ARG 56 N 0.85 3.90 0.10 4.30 3.52 0.21 -0.09 118.95 131.73 1x6b s ARG 56 Ca -0.11 1.81 0.14 0.00 -0.13 0.00 0.00 55.73 57.43 1x6b s ARG 56 Cb -0.15 -4.02 0.61 0.00 -1.56 0.00 0.00 34.95 29.83 1x6b s ARG 56 CO 0.02 -1.17 1.42 1.28 -0.81 0.00 0.00 175.30 176.03 1x6b n LEU 57 N 8.11 0.21 0.22 -0.88 7.99 -1.17 0.21 117.00 131.69 1x6b n LEU 57 Ca 0.18 0.57 -0.09 0.00 -0.01 0.00 0.00 56.01 56.67 1x6b n LEU 57 Cb 0.45 -0.56 -0.04 0.00 -0.11 0.00 0.00 43.42 43.15 1x6b n LEU 57 CO 0.64 -0.47 0.46 -0.09 -1.51 0.00 0.00 177.39 176.41 1x6b h ARG 58 N 0.00 -0.55 0.00 3.23 2.43 -1.88 -3.40 114.38 114.21 1x6b h ARG 58 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1x6b h ARG 58 CO 0.00 -0.37 -1.41 -3.47 -1.51 0.00 0.00 179.97 173.22 1x6b n ASP 59 N -3.69 3.33 0.00 -3.80 2.03 -1.17 -5.00 116.55 108.25 1x6b n ASP 59 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1x6b n ASP 59 Cb 0.22 0.96 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 60 N 2.36 0.91 3.68 0.27 0.00 0.56 -5.04 105.19 107.93 1x6b n GLY 60 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1x6b n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6b n GLU 61 N -0.92 2.37 -3.73 1.61 4.71 -1.21 -4.36 120.64 119.11 1x6b n GLU 61 Ca 0.00 0.86 -0.38 0.00 -0.01 0.00 0.00 57.16 57.63 1x6b n GLU 61 Cb 0.00 -2.68 -0.12 0.00 -1.01 0.00 0.00 31.44 27.63 1x6b n GLU 61 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1x6b s THR 62 N 1.94 4.17 0.17 2.62 2.01 -1.26 0.64 115.64 125.92 1x6b s THR 62 Ca 0.82 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1x6b s THR 62 Cb -0.62 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1x6b s THR 62 CO 0.40 0.11 0.22 0.61 -0.69 0.00 0.00 174.62 175.26 1x6b n GLY 63 N 4.90 2.81 3.81 4.40 0.00 -0.87 -4.95 105.19 115.30 1x6b n GLY 63 Ca -0.15 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.70 3.62 -0.03 1.61 0.52 0.38 -2.18 118.94 119.16 1x6b s TRP 64 Ca 0.15 0.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.04 1x6b s TRP 64 Cb -0.00 -2.23 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1x6b s TRP 64 CO 0.11 0.54 0.07 -0.59 0.02 0.00 0.00 176.95 177.10 1x6b s PHE 65 N -0.60 -0.04 0.46 -1.98 -0.12 0.14 -3.02 117.98 112.81 1x6b s PHE 65 Ca 0.20 0.24 -0.21 0.00 -0.05 0.00 0.00 56.93 57.10 1x6b s PHE 65 Cb -0.15 -0.14 -0.09 0.00 -0.63 0.00 0.00 43.02 42.02 1x6b s PHE 65 CO 0.09 -0.10 1.04 -1.25 -0.05 0.00 0.00 175.22 174.95 1x6b s PRO 66 N 0.90 3.89 0.24 1.99 0.04 -1.26 0.11 135.00 140.90 1x6b s PRO 66 Ca -0.07 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1x6b s PRO 66 Cb -0.10 -2.20 0.26 0.00 0.04 0.00 0.00 34.50 32.50 1x6b s PRO 66 CO -0.03 -0.36 1.64 1.05 0.04 0.00 0.00 177.00 179.33 1x6b h GLU 67 N 1.78 0.60 -0.37 4.56 4.11 -1.87 -2.39 114.58 121.01 1x6b h GLU 67 Ca -0.49 -0.26 0.11 0.00 0.07 0.00 0.00 59.36 58.78 1x6b h GLU 67 Cb 1.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1x6b h GLU 67 CO 0.60 0.84 0.53 -0.44 0.07 0.00 0.00 179.01 180.61 1x6b h ASP 68 N 0.52 0.00 -0.72 3.06 3.32 -1.92 0.88 116.42 121.55 1x6b h ASP 68 Ca 0.06 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.64 1x6b h ASP 68 Cb 0.79 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.06 1x6b h ASP 68 CO 0.06 0.00 0.05 0.49 -1.72 0.00 0.00 179.24 178.12 1x6b n PHE 69 N -3.40 2.40 -3.60 4.55 3.01 -0.90 -4.98 117.46 114.55 1x6b n PHE 69 Ca 0.07 -2.24 -0.04 0.00 1.01 0.00 0.00 57.45 56.24 1x6b n PHE 69 Cb 0.69 -0.78 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 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 -3.54 -1.99 -0.03 4.37 0.00 0.30 -3.92 121.76 116.97 1x6b s ALA 70 Ca 0.54 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1x6b s ALA 70 Cb 0.45 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1x6b s ALA 70 CO 0.02 -0.77 0.01 -0.98 0.00 0.00 0.00 175.76 174.04 1x6b s ARG 71 N -2.72 0.18 -0.40 0.00 1.70 -1.08 -4.81 118.95 111.83 1x6b s ARG 71 Ca 0.10 0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.20 1x6b s ARG 71 Cb 0.00 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 1x6b s ARG 71 CO -0.05 -0.15 1.91 -0.06 -1.08 0.00 0.00 175.30 175.87 1x6b s PHE 72 N 1.05 1.65 0.01 5.89 0.40 -1.26 -2.01 117.98 123.71 1x6b s PHE 72 Ca -0.09 0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 56.92 1x6b s PHE 72 Cb -0.13 -4.05 -0.03 0.00 0.51 0.00 0.00 43.02 39.32 1x6b s PHE 72 CO -0.02 -2.86 1.09 0.82 0.70 0.00 0.00 175.22 174.95 1x6b h ILE 73 N 6.94 0.00 -2.36 0.64 2.04 -1.88 -3.43 117.51 119.47 1x6b h ILE 73 Ca -0.32 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.17 1x6b h ILE 73 Cb 1.18 0.00 -0.35 0.00 -0.74 0.00 0.00 36.82 36.91 1x6b h ILE 73 CO 1.08 0.00 -0.67 -0.44 0.00 0.00 0.00 178.15 178.13 1x6b s SER 74 N -2.46 2.03 0.00 1.72 0.01 -1.26 -5.01 113.70 108.72 1x6b s SER 74 Ca -0.03 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x6b s SER 74 Cb 0.01 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1x6b s SER 74 CO 0.09 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x6b n GLY 75 N 5.30 -0.69 3.81 3.44 0.00 -1.26 -4.73 105.19 111.06 1x6b n GLY 75 Ca -0.04 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.32 3.33 -0.14 1.61 0.04 -1.26 -5.02 135.00 133.24 1x6b s PRO 76 Ca 0.00 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1x6b s PRO 76 Cb 0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1x6b s PRO 76 CO 0.00 -0.79 -0.09 0.77 0.04 0.00 0.00 177.00 176.93 1x6b h SER 77 N 0.31 0.00 -3.98 6.66 0.02 -2.03 -3.51 113.55 111.02 1x6b h SER 77 Ca -0.46 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1x6b h SER 77 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1x6b h SER 77 CO 0.58 0.82 -0.81 -0.24 -1.14 0.00 0.00 176.83 176.04 1x6b n SER 78 N -4.61 -7.51 0.00 3.07 2.88 -1.26 -5.25 113.62 100.94 1x6b n SER 78 Ca -0.10 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1x6b n SER 78 Cb 0.29 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.59 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42