#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 0.99 0.12 1.61 2.88 -1.26 -5.08 113.62 112.88 1x6b n SER 2 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1x6b n SER 2 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1x6b n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6b n SER 3 N -3.46 -2.13 0.00 -3.46 2.88 -1.26 -5.17 113.62 101.03 1x6b n SER 3 Ca -0.01 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1x6b n SER 3 Cb 0.09 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.74 1x6b n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6b n GLY 4 N -1.27 4.78 3.44 0.46 0.00 -1.26 -5.15 105.19 106.19 1x6b n GLY 4 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.97 1x6b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6b s SER 5 N 0.00 -1.09 -0.12 1.61 0.15 -1.26 -5.00 113.70 107.98 1x6b s SER 5 Ca 0.00 1.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1x6b s SER 5 Cb 0.00 2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 66.40 1x6b s SER 5 CO 0.00 -0.21 -0.03 -0.44 1.20 0.00 0.00 173.24 173.77 1x6b s SER 6 N 2.82 4.95 0.00 5.45 0.01 -1.26 -5.05 113.70 120.61 1x6b s SER 6 Ca 0.02 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1x6b s SER 6 Cb -0.12 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1x6b s SER 6 CO -0.19 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1x6b n GLY 7 N 2.94 0.50 2.75 3.44 0.00 -1.26 -4.83 105.19 108.72 1x6b n GLY 7 Ca -0.18 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 1x6b n GLY 7 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x6b n TRP 8 N 0.00 2.42 -2.37 1.61 -0.00 -1.26 -4.89 117.44 112.95 1x6b n TRP 8 Ca 0.00 -4.10 -0.05 0.00 -0.00 0.00 0.00 57.50 53.35 1x6b n TRP 8 Cb 0.00 -0.45 0.01 0.00 -0.00 0.00 0.00 31.31 30.87 1x6b n TRP 8 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1x6b n GLN 9 N 2.02 -1.59 -2.54 5.87 -0.06 -1.26 -4.73 117.38 115.08 1x6b n GLN 9 Ca 0.23 1.58 -0.03 0.00 -2.00 0.00 0.00 57.00 56.78 1x6b n GLN 9 Cb 0.38 -4.20 -0.02 0.00 -4.06 0.00 0.00 30.24 22.34 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x6b n GLY 10 N -0.32 -4.21 3.15 1.69 0.00 -1.26 -5.01 105.19 99.24 1x6b n GLY 10 Ca 0.07 0.88 -0.31 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.49 1.98 -0.26 0.99 1.98 -1.26 -4.88 118.68 116.74 1x6b s LEU 11 Ca -0.14 -0.52 -0.01 0.00 -2.89 0.00 0.00 54.13 50.57 1x6b s LEU 11 Cb 0.01 -1.30 0.00 0.00 0.66 0.00 0.00 46.19 45.56 1x6b s LEU 11 CO 0.37 0.10 0.03 -1.20 -1.89 0.00 0.00 176.35 173.75 1x6b n SER 12 N 3.84 -6.94 -3.31 3.68 7.64 -1.26 -5.04 113.62 112.23 1x6b n SER 12 Ca -0.20 1.13 0.03 0.00 1.01 0.00 0.00 58.87 60.84 1x6b n SER 12 Cb 0.52 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 59.14 1x6b n SER 12 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6b s SER 13 N -1.40 -0.84 0.19 6.43 0.01 -1.26 -5.04 113.70 111.79 1x6b s SER 13 Ca 0.01 0.80 -0.22 0.00 1.31 0.00 0.00 55.95 57.86 1x6b s SER 13 Cb -0.00 1.81 0.12 0.00 0.21 0.00 0.00 66.02 68.16 1x6b s SER 13 CO 0.64 -0.16 1.58 0.50 0.41 0.00 0.00 173.24 176.21 1x6b h LYS 14 N 7.84 -0.15 0.00 12.44 3.64 -1.97 -3.46 116.57 134.90 1x6b h LYS 14 Ca -0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1x6b h LYS 14 Cb 1.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1x6b h LYS 14 CO 0.08 -0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.57 1x6b n GLY 15 N -1.43 1.35 1.61 5.01 0.00 -1.26 -4.93 105.19 105.54 1x6b n GLY 15 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 3.16 -4.52 1.61 8.00 -1.26 -5.08 116.55 118.46 1x6b n ASP 16 Ca 0.00 -3.46 -0.31 0.00 0.71 0.00 0.00 54.79 51.73 1x6b n ASP 16 Cb 0.00 -0.42 0.18 0.00 -0.02 0.00 0.00 41.12 40.86 1x6b n ASP 16 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x6b n LEU 17 N -0.73 0.72 -4.77 0.64 4.77 -1.26 -4.94 117.00 111.43 1x6b n LEU 17 Ca 0.28 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 56.08 1x6b n LEU 17 Cb 0.87 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1x6b n LEU 17 CO 0.18 -2.90 0.76 -2.16 -1.33 0.00 0.00 177.39 171.95 1x6b s PRO 18 N -4.19 4.43 -0.03 3.23 0.04 -1.26 -4.91 135.00 132.31 1x6b s PRO 18 Ca 0.63 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1x6b s PRO 18 Cb -0.22 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1x6b s PRO 18 CO 0.63 0.07 -0.11 -0.65 0.04 0.00 0.00 177.00 176.97 1x6b s GLN 19 N -1.90 1.15 -0.05 4.56 -0.21 -1.26 -1.02 119.66 120.94 1x6b s GLN 19 Ca 0.50 -0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.56 1x6b s GLN 19 Cb -0.27 -1.06 -0.01 0.00 1.00 0.00 0.00 33.01 32.67 1x6b s GLN 19 CO 0.35 0.16 -0.24 0.14 -2.12 0.00 0.00 175.29 173.58 1x6b s VAL 20 N 0.12 1.93 -0.31 1.09 -7.23 -1.13 -2.13 120.40 112.74 1x6b s VAL 20 Ca -0.03 -1.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.96 1x6b s VAL 20 Cb -0.09 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 1x6b s VAL 20 CO 0.01 0.54 0.53 -0.70 -0.31 0.00 0.00 175.10 175.17 1x6b s GLU 21 N -0.20 3.84 0.17 4.82 2.12 -0.86 -2.51 118.70 126.08 1x6b s GLU 21 Ca -0.01 0.10 -0.31 0.00 0.36 0.00 0.00 54.97 55.10 1x6b s GLU 21 Cb -0.13 -3.73 -0.10 0.00 0.26 0.00 0.00 34.13 30.43 1x6b s GLU 21 CO 0.03 -0.52 1.55 0.42 -0.54 0.00 0.00 175.26 176.20 1x6b s ILE 22 N 2.40 2.65 -0.10 -3.70 -1.09 0.46 -1.25 121.20 120.58 1x6b s ILE 22 Ca 0.21 0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.98 1x6b s ILE 22 Cb -0.15 -3.30 -0.27 0.00 -1.58 0.00 0.00 42.46 37.15 1x6b s ILE 22 CO 0.12 0.04 0.49 0.71 -1.23 0.00 0.00 174.94 175.06 1x6b h THR 23 N 4.00 0.85 -3.58 2.92 1.35 -1.82 1.89 112.91 118.53 1x6b h THR 23 Ca -0.43 -2.39 -0.49 0.00 -0.55 0.00 0.00 66.41 62.55 1x6b h THR 23 Cb 1.21 2.61 -0.19 0.00 -1.73 0.00 0.00 68.15 70.05 1x6b h THR 23 CO 0.90 0.78 -0.79 -1.59 -0.25 0.00 0.00 175.52 174.58 1x6b s LYS 24 N -2.52 1.13 0.03 4.72 -2.85 -1.26 -4.03 119.74 114.95 1x6b s LYS 24 Ca -0.20 -1.27 -0.30 0.00 -1.00 0.00 0.00 55.97 53.19 1x6b s LYS 24 Cb 0.06 -1.18 -0.07 0.00 -2.06 0.00 0.00 37.83 34.57 1x6b s LYS 24 CO 0.78 0.25 1.62 0.00 0.10 0.00 0.00 175.35 178.09 1x6b s ALA 25 N -1.81 3.65 -0.30 0.59 0.00 -1.26 -4.39 121.76 118.24 1x6b s ALA 25 Ca 0.10 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1x6b s ALA 25 Cb -0.07 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1x6b s ALA 25 CO 0.05 -1.15 0.15 0.12 0.00 0.00 0.00 175.76 174.93 1x6b s PHE 26 N 2.95 3.17 -0.44 0.00 5.36 -1.05 -4.94 117.98 123.04 1x6b s PHE 26 Ca 0.72 -0.38 -0.25 0.00 -0.96 0.00 0.00 56.93 56.07 1x6b s PHE 26 Cb -0.37 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 39.98 1x6b s PHE 26 CO 0.31 -0.37 0.89 -0.06 -1.46 0.00 0.00 175.22 174.52 1x6b s PHE 27 N 1.65 2.97 -0.03 10.12 0.08 -1.26 -1.82 117.98 129.69 1x6b s PHE 27 Ca 0.06 0.40 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1x6b s PHE 27 Cb -0.17 -3.83 -0.05 0.00 -0.57 0.00 0.00 43.02 38.41 1x6b s PHE 27 CO 0.07 -1.02 1.35 0.00 -0.10 0.00 0.00 175.22 175.53 1x6b s ALA 28 N 3.58 3.57 -0.16 5.36 0.00 -1.26 -4.87 121.76 127.97 1x6b s ALA 28 Ca 0.35 0.78 0.14 0.00 0.00 0.00 0.00 51.96 53.24 1x6b s ALA 28 Cb -0.11 -3.59 -0.20 0.00 0.00 0.00 0.00 23.12 19.23 1x6b s ALA 28 CO 0.24 -0.92 0.05 0.36 0.00 0.00 0.00 175.76 175.49 1x6b n LYS 29 N 5.52 1.35 -2.14 0.00 0.00 -1.26 -4.92 118.16 116.70 1x6b n LYS 29 Ca 0.13 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.16 1x6b n LYS 29 Cb 0.44 -1.41 0.13 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.39 1.42 0.00 -1.58 -0.21 -1.26 -4.97 119.66 110.66 1x6b s GLN 30 Ca -0.08 -0.47 0.27 0.00 0.02 0.00 0.00 55.36 55.10 1x6b s GLN 30 Cb 0.05 -2.05 0.88 0.00 1.00 0.00 0.00 33.01 32.89 1x6b s GLN 30 CO 0.65 -1.81 1.65 0.00 -2.12 0.00 0.00 175.29 173.66 1x6b n ALA 31 N -3.29 2.59 0.11 6.09 0.00 -1.26 -3.61 120.51 121.13 1x6b n ALA 31 Ca 0.12 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 53.12 1x6b n ALA 31 Cb 0.60 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 0.34 2.22 -4.78 0.00 2.03 -1.26 -5.02 116.55 110.08 1x6b n ASP 32 Ca 0.18 -0.19 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 1x6b n ASP 32 Cb 0.40 1.31 0.10 0.00 -0.72 0.00 0.00 41.12 42.21 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x6b s GLU 33 N -2.43 1.94 -0.04 -0.67 2.02 -1.24 0.76 118.70 119.04 1x6b s GLU 33 Ca -0.02 0.76 0.01 0.00 0.02 0.00 0.00 54.97 55.74 1x6b s GLU 33 Cb 0.06 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.42 1x6b s GLU 33 CO 0.38 -1.75 -0.04 0.54 0.02 0.00 0.00 175.26 174.41 1x6b s VAL 34 N -3.06 0.51 0.11 2.63 0.11 -1.22 -4.53 120.40 114.93 1x6b s VAL 34 Ca 0.61 -0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 59.26 1x6b s VAL 34 Cb -0.16 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.08 1x6b s VAL 34 CO 0.55 0.22 1.27 -0.89 -3.33 0.00 0.00 175.10 172.93 1x6b s THR 35 N 0.96 3.66 0.41 5.04 2.01 -1.26 -4.51 115.64 121.95 1x6b s THR 35 Ca -0.10 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.16 1x6b s THR 35 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1x6b s THR 35 CO -0.00 0.11 0.05 -0.76 -0.69 0.00 0.00 174.62 173.34 1x6b s LEU 36 N 0.82 2.29 0.15 4.42 1.43 -0.75 -4.96 118.68 122.08 1x6b s LEU 36 Ca 0.60 -1.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 1x6b s LEU 36 Cb -0.33 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1x6b s LEU 36 CO 0.31 -0.73 -0.05 -1.10 0.23 0.00 0.00 176.35 175.01 1x6b s GLN 37 N -3.80 1.03 0.07 1.70 -1.52 -1.26 -2.52 119.66 113.35 1x6b s GLN 37 Ca 0.25 -1.46 -0.32 0.00 -1.95 0.00 0.00 55.36 51.88 1x6b s GLN 37 Cb 0.05 -0.39 -0.11 0.00 -0.22 0.00 0.00 33.01 32.35 1x6b s GLN 37 CO 0.12 -0.03 1.86 0.94 -0.25 0.00 0.00 175.29 177.93 1x6b n GLN 38 N -0.18 2.64 -2.57 2.91 7.27 -1.26 -1.84 117.38 124.35 1x6b n GLN 38 Ca -0.09 0.96 -0.06 0.00 0.07 0.00 0.00 57.00 57.88 1x6b n GLN 38 Cb 0.62 -2.85 0.03 0.00 2.41 0.00 0.00 30.24 30.44 1x6b n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x6b n ALA 39 N 6.06 -0.61 -2.49 1.69 0.00 0.64 -4.97 120.51 120.83 1x6b n ALA 39 Ca 0.19 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1x6b n ALA 39 Cb 0.36 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.36 4.00 -0.11 0.00 1.11 -0.77 -4.85 116.67 112.69 1x6b s ASP 40 Ca 0.05 -0.21 -0.09 0.00 0.18 0.00 0.00 52.55 52.49 1x6b s ASP 40 Cb -0.02 -0.86 -0.04 0.00 1.07 0.00 0.00 42.92 43.07 1x6b s ASP 40 CO 0.24 0.34 0.18 -0.69 1.18 0.00 0.00 175.17 176.42 1x6b s VAL 41 N -0.70 5.43 -0.02 -1.27 1.01 -1.26 0.18 120.40 123.77 1x6b s VAL 41 Ca 0.11 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1x6b s VAL 41 Cb -0.11 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1x6b s VAL 41 CO 0.01 0.59 -0.04 -0.69 0.00 0.00 0.00 175.10 174.96 1x6b s VAL 42 N -0.83 0.41 -0.46 2.92 1.01 -1.05 -3.33 120.40 119.07 1x6b s VAL 42 Ca 0.15 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 1x6b s VAL 42 Cb -0.13 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1x6b s VAL 42 CO 0.05 0.15 0.90 -0.22 0.00 0.00 0.00 175.10 175.98 1x6b s LEU 43 N 0.39 4.06 0.34 3.92 2.96 0.74 -2.82 118.68 128.27 1x6b s LEU 43 Ca -0.04 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1x6b s LEU 43 Cb -0.08 -3.15 -0.10 0.00 0.50 0.00 0.00 46.19 43.36 1x6b s LEU 43 CO -0.00 -1.02 1.36 -0.69 -1.32 0.00 0.00 176.35 174.68 1x6b s VAL 44 N 3.65 2.54 0.00 1.68 1.01 -0.19 0.19 120.40 129.29 1x6b s VAL 44 Ca 0.36 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1x6b s VAL 44 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1x6b s VAL 44 CO 0.25 0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.66 1x6b n LEU 45 N 0.85 2.38 -3.65 3.92 4.77 0.29 -4.53 117.00 121.03 1x6b n LEU 45 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1x6b n LEU 45 Cb 0.41 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.33 1x6b n LEU 45 CO 0.60 0.39 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.61 1x6b s GLN 46 N -1.93 0.19 -0.40 3.23 -0.21 -0.80 -4.98 119.66 114.77 1x6b s GLN 46 Ca 0.00 -0.08 -0.22 0.00 0.02 0.00 0.00 55.36 55.08 1x6b s GLN 46 Cb 0.00 -1.66 0.02 0.00 1.00 0.00 0.00 33.01 32.36 1x6b s GLN 46 CO 0.00 -0.60 0.73 -0.65 -2.12 0.00 0.00 175.29 172.66 1x6b s GLN 47 N 2.08 3.55 -0.09 2.91 -0.21 -1.26 0.13 119.66 126.76 1x6b s GLN 47 Ca 0.02 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1x6b s GLN 47 Cb -0.15 -3.88 -0.00 0.00 1.00 0.00 0.00 33.01 29.98 1x6b s GLN 47 CO -0.08 -0.95 -0.24 -2.00 -2.12 0.00 0.00 175.29 169.91 1x6b s GLU 48 N 3.05 2.95 -0.54 2.91 2.12 0.00 -4.97 118.70 124.23 1x6b s GLU 48 Ca 0.28 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 1x6b s GLU 48 Cb -0.13 -2.27 -0.11 0.00 0.26 0.00 0.00 34.13 31.88 1x6b s GLU 48 CO 0.19 0.22 2.42 -3.47 -0.54 0.00 0.00 175.26 174.07 1x6b n ASP 49 N 3.42 1.97 0.00 -1.70 2.03 -1.26 0.13 116.55 121.14 1x6b n ASP 49 Ca -0.19 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1x6b n ASP 49 Cb 0.53 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 50 N 6.18 3.07 2.86 0.27 0.00 -1.26 -5.05 105.19 111.26 1x6b n GLY 50 Ca 0.43 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.04 -0.02 -0.26 1.61 0.52 0.12 -4.54 118.94 116.33 1x6b s TRP 51 Ca 0.00 0.13 -0.03 0.00 0.02 0.00 0.00 56.10 56.22 1x6b s TRP 51 Cb 0.00 -0.08 0.02 0.00 -1.15 0.00 0.00 33.47 32.25 1x6b s TRP 51 CO 0.00 -0.05 -0.02 -0.51 0.02 0.00 0.00 176.95 176.39 1x6b s LEU 52 N 0.49 3.33 0.29 2.99 2.01 0.26 -0.82 118.68 127.22 1x6b s LEU 52 Ca -0.04 -0.75 -0.22 0.00 0.01 0.00 0.00 54.13 53.13 1x6b s LEU 52 Cb -0.06 -1.74 -0.09 0.00 0.01 0.00 0.00 46.19 44.32 1x6b s LEU 52 CO -0.02 -0.13 0.84 -0.47 1.01 0.00 0.00 176.35 177.58 1x6b s TYR 53 N 1.40 3.61 0.04 0.29 5.04 0.35 -0.83 117.35 127.25 1x6b s TYR 53 Ca 0.02 1.56 -0.11 0.00 -2.44 0.00 0.00 57.07 56.09 1x6b s TYR 53 Cb -0.16 -2.76 0.04 0.00 0.35 0.00 0.00 41.96 39.43 1x6b s TYR 53 CO -0.02 0.23 0.53 0.41 -1.34 0.00 0.00 175.55 175.35 1x6b n GLY 54 N 0.44 0.72 3.02 8.97 0.00 -0.88 0.11 105.19 117.57 1x6b n GLY 54 Ca 0.01 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 2.11 -0.46 1.61 -6.30 0.51 -1.49 118.70 112.66 1x6b s GLU 55 Ca 0.12 -0.51 -0.28 0.00 -2.50 0.00 0.00 54.97 51.81 1x6b s GLU 55 Cb -0.01 -1.88 -0.01 0.00 0.00 0.00 0.00 34.13 32.23 1x6b s GLU 55 CO 0.01 -0.14 1.65 0.50 0.02 0.00 0.00 175.26 177.31 1x6b s ARG 56 N 1.22 3.21 0.62 4.30 3.52 -0.75 -0.19 118.95 130.89 1x6b s ARG 56 Ca -0.02 0.93 0.31 0.00 -0.13 0.00 0.00 55.73 56.82 1x6b s ARG 56 Cb -0.14 -4.19 1.70 0.00 -1.56 0.00 0.00 34.95 30.76 1x6b s ARG 56 CO -0.05 -2.02 1.95 -0.07 -0.81 0.00 0.00 175.30 174.30 1x6b h LEU 57 N 13.92 0.00 0.07 -0.88 -0.00 -1.90 1.92 115.31 128.44 1x6b h LEU 57 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1x6b h LEU 57 Cb 1.14 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 1x6b h LEU 57 CO 1.12 0.00 -0.25 -0.09 -0.00 0.00 0.00 178.44 179.22 1x6b h ARG 58 N 0.00 -0.35 0.00 1.13 2.43 -1.88 -3.35 114.38 112.36 1x6b h ARG 58 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1x6b h ARG 58 Cb 0.49 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1x6b h ARG 58 CO 0.00 -0.23 -1.58 -0.25 -1.51 0.00 0.00 179.97 176.40 1x6b n ASP 59 N -3.85 2.68 0.00 -3.80 8.00 -0.93 -5.01 116.55 113.64 1x6b n ASP 59 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1x6b n ASP 59 Cb 0.19 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.31 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 2.23 1.65 3.61 0.44 0.00 0.65 -4.70 105.19 109.07 1x6b n GLY 60 Ca -0.10 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.79 4.04 -0.28 1.61 2.12 -1.20 -4.67 118.70 119.54 1x6b s GLU 61 Ca 0.00 0.38 -0.21 0.00 0.36 0.00 0.00 54.97 55.50 1x6b s GLU 61 Cb 0.00 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 1x6b s GLU 61 CO 0.00 -0.42 0.65 0.99 -0.54 0.00 0.00 175.26 175.94 1x6b s THR 62 N 2.43 4.95 0.17 -1.70 2.01 -1.26 -1.80 115.64 120.44 1x6b s THR 62 Ca 0.24 1.06 -0.00 0.00 0.31 0.00 0.00 61.69 63.29 1x6b s THR 62 Cb -0.15 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1x6b s THR 62 CO 0.09 -0.06 0.23 0.61 -0.69 0.00 0.00 174.62 174.80 1x6b n GLY 63 N 4.24 2.73 3.73 4.40 0.00 -0.56 -4.90 105.19 114.83 1x6b n GLY 63 Ca -0.00 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.86 3.44 -0.03 1.61 0.52 0.23 -2.08 118.94 118.77 1x6b s TRP 64 Ca 0.15 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.78 1x6b s TRP 64 Cb -0.00 -2.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.05 1x6b s TRP 64 CO 0.10 0.25 -0.03 -0.59 0.02 0.00 0.00 176.95 176.70 1x6b s PHE 65 N 0.46 0.53 0.50 -1.98 -0.12 -0.01 -3.42 117.98 113.93 1x6b s PHE 65 Ca 0.14 -0.10 -0.20 0.00 -0.05 0.00 0.00 56.93 56.72 1x6b s PHE 65 Cb -0.12 -0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 41.70 1x6b s PHE 65 CO 0.02 -0.13 1.04 -1.25 -0.05 0.00 0.00 175.22 174.85 1x6b s PRO 66 N 0.71 3.76 0.22 1.99 0.04 -1.26 0.89 135.00 141.34 1x6b s PRO 66 Ca -0.08 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 1x6b s PRO 66 Cb -0.12 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.53 1x6b s PRO 66 CO -0.01 -0.46 1.56 1.05 0.04 0.00 0.00 177.00 179.18 1x6b h GLU 67 N 1.44 0.51 -0.99 4.56 4.11 -1.88 -2.75 114.58 119.58 1x6b h GLU 67 Ca -0.49 -0.29 0.29 0.00 0.07 0.00 0.00 59.36 58.93 1x6b h GLU 67 Cb 1.22 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1x6b h GLU 67 CO 0.59 0.88 0.71 0.22 0.07 0.00 0.00 179.01 181.48 1x6b h ASP 68 N 0.41 0.02 -0.78 3.06 3.58 -1.93 1.48 116.42 122.27 1x6b h ASP 68 Ca 0.02 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.17 1x6b h ASP 68 Cb 0.99 -0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.86 1x6b h ASP 68 CO 0.09 0.01 0.36 0.49 -2.88 0.00 0.00 179.24 177.30 1x6b n PHE 69 N -4.26 2.51 -3.70 0.28 3.01 -1.04 -4.93 117.46 109.32 1x6b n PHE 69 Ca 0.21 -1.42 -0.10 0.00 1.01 0.00 0.00 57.45 57.15 1x6b n PHE 69 Cb 1.04 -0.74 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 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 -3.11 -1.00 -0.22 4.37 0.00 0.51 -3.39 121.76 118.91 1x6b s ALA 70 Ca 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 1x6b s ALA 70 Cb 0.45 0.84 0.07 0.00 0.00 0.00 0.00 23.12 24.48 1x6b s ALA 70 CO 0.12 -0.79 0.04 1.03 0.00 0.00 0.00 175.76 176.16 1x6b s ARG 71 N -3.86 0.74 -0.44 0.00 0.52 -0.38 -4.83 118.95 110.71 1x6b s ARG 71 Ca 0.08 -0.61 -0.32 0.00 -0.52 0.00 0.00 55.73 54.36 1x6b s ARG 71 Cb -0.01 -2.10 -0.11 0.00 0.52 0.00 0.00 34.95 33.25 1x6b s ARG 71 CO -0.04 -0.72 2.30 1.19 0.02 0.00 0.00 175.30 178.05 1x6b n PHE 72 N 4.98 1.49 0.23 -0.53 3.72 -1.26 -2.03 117.46 124.07 1x6b n PHE 72 Ca -0.08 0.20 -0.15 0.00 -0.05 0.00 0.00 57.45 57.37 1x6b n PHE 72 Cb 0.46 -2.56 -0.08 0.00 -0.94 0.00 0.00 39.48 36.35 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 7.34 0.61 -2.17 4.37 2.04 -1.80 -3.45 117.51 124.46 1x6b h ILE 73 Ca -0.26 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1x6b h ILE 73 Cb 1.30 0.63 -0.22 0.00 -0.74 0.00 0.00 36.82 37.78 1x6b h ILE 73 CO 1.08 0.01 -0.10 -0.44 0.00 0.00 0.00 178.15 178.71 1x6b s SER 74 N -4.73 -0.84 0.00 1.72 0.01 -1.26 -5.10 113.70 103.49 1x6b s SER 74 Ca -0.16 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1x6b s SER 74 Cb 0.04 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.67 1x6b s SER 74 CO 0.63 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1x6b n GLY 75 N 4.56 0.41 3.67 3.44 0.00 -1.26 -4.47 105.19 111.53 1x6b n GLY 75 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 4.25 -0.02 1.61 0.04 -1.26 -5.02 135.00 134.60 1x6b s PRO 76 Ca 0.00 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1x6b s PRO 76 Cb 0.00 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1x6b s PRO 76 CO 0.00 -0.66 -0.25 -1.12 0.04 0.00 0.00 177.00 175.01 1x6b s SER 77 N 1.91 2.97 0.35 6.66 0.01 -1.26 -5.14 113.70 119.20 1x6b s SER 77 Ca 0.55 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.42 1x6b s SER 77 Cb -0.23 -0.35 -0.07 0.00 0.21 0.00 0.00 66.02 65.59 1x6b s SER 77 CO 0.16 0.31 -0.01 -0.44 0.41 0.00 0.00 173.24 173.67 1x6b s SER 78 N -0.58 3.28 0.00 2.44 0.01 -1.26 -5.32 113.70 112.27 1x6b s SER 78 Ca 0.09 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1x6b s SER 78 Cb -0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1x6b s SER 78 CO -0.01 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.84