#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 5.71 0.25 1.61 1.04 -1.26 -5.05 113.70 116.00 1x6b s SER 2 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1x6b s SER 2 Cb 0.00 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.28 1x6b s SER 2 CO 0.00 -0.64 0.00 -0.24 0.98 0.00 0.00 173.24 173.34 1x6b n SER 3 N -1.75 0.10 -4.66 7.02 2.88 -1.26 -5.06 113.62 110.89 1x6b n SER 3 Ca 0.05 0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 57.59 1x6b n SER 3 Cb 0.59 0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 64.28 1x6b n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6b s GLY 4 N -4.78 1.47 -0.31 0.46 0.00 -1.26 -4.94 107.32 97.96 1x6b s GLY 4 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 44.72 46.00 1x6b s GLY 4 CO 0.00 3.35 0.48 -0.45 0.00 0.00 0.00 173.10 176.47 1x6b s SER 5 N 4.06 -0.28 0.45 1.64 0.15 -1.26 -4.99 113.70 113.47 1x6b s SER 5 Ca 0.84 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1x6b s SER 5 Cb -0.41 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1x6b s SER 5 CO 0.38 -0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.31 1x6b n SER 6 N 5.19 -3.92 -4.05 5.45 7.64 -1.26 -5.16 113.62 117.52 1x6b n SER 6 Ca 0.04 0.86 -0.23 0.00 1.01 0.00 0.00 58.87 60.55 1x6b n SER 6 Cb 0.51 3.66 -0.09 0.00 -1.01 0.00 0.00 64.21 67.28 1x6b n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6b s GLY 7 N -2.18 2.40 0.18 0.23 0.00 -1.26 -5.14 107.32 101.56 1x6b s GLY 7 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 42.93 1x6b s GLY 7 CO 0.00 -1.74 0.85 -0.98 0.00 0.00 0.00 173.10 171.23 1x6b s TRP 8 N -3.34 3.92 1.25 1.90 0.51 -1.26 -5.04 118.94 116.89 1x6b s TRP 8 Ca 0.29 1.74 -0.19 0.00 -2.12 0.00 0.00 56.10 55.83 1x6b s TRP 8 Cb 0.04 -2.86 0.30 0.00 -0.81 0.00 0.00 33.47 30.14 1x6b s TRP 8 CO 0.17 0.47 1.03 -1.14 -0.51 0.00 0.00 176.95 176.97 1x6b s GLN 9 N -1.04 -1.62 -0.25 4.98 2.00 -1.26 -4.84 119.66 117.63 1x6b s GLN 9 Ca 0.38 0.19 -0.28 0.00 -2.00 0.00 0.00 55.36 53.65 1x6b s GLN 9 Cb -0.24 -1.53 -0.05 0.00 0.80 0.00 0.00 33.01 32.00 1x6b s GLN 9 CO 0.28 -4.03 2.18 0.20 -0.50 0.00 0.00 175.29 173.42 1x6b s GLY 10 N -3.39 0.49 -0.50 2.59 0.00 -1.26 -4.92 107.32 100.32 1x6b s GLY 10 Ca 0.69 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.93 1x6b s GLY 10 CO 0.58 3.76 0.43 1.08 0.00 0.00 0.00 173.10 178.95 1x6b s LEU 11 N 8.37 5.88 -0.18 0.66 1.43 -1.26 -4.88 118.68 128.70 1x6b s LEU 11 Ca 0.98 -1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 1x6b s LEU 11 Cb -0.31 -2.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1x6b s LEU 11 CO 0.34 -0.75 -0.34 -1.20 0.23 0.00 0.00 176.35 174.63 1x6b n SER 12 N 5.17 1.93 -3.66 2.29 7.64 -1.26 -5.03 113.62 120.70 1x6b n SER 12 Ca -0.12 0.35 -0.06 0.00 1.01 0.00 0.00 58.87 60.05 1x6b n SER 12 Cb 0.41 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 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 -5.96 -0.79 0.06 6.43 0.01 -1.26 -5.16 113.70 107.03 1x6b s SER 13 Ca -0.28 1.32 0.01 0.00 1.31 0.00 0.00 55.95 58.31 1x6b s SER 13 Cb 0.04 1.63 -0.03 0.00 0.21 0.00 0.00 66.02 67.87 1x6b s SER 13 CO 0.42 -0.22 -0.06 -1.59 0.41 0.00 0.00 173.24 172.20 1x6b s LYS 14 N 2.32 0.62 0.00 12.44 0.00 -1.26 -5.00 119.74 128.86 1x6b s LYS 14 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.87 1x6b s LYS 14 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.64 1x6b s LYS 14 CO -0.17 -0.02 0.00 0.41 0.00 0.00 0.00 175.35 175.57 1x6b n GLY 15 N 0.66 -0.30 2.20 0.59 0.00 -1.26 -4.96 105.19 102.12 1x6b n GLY 15 Ca -0.17 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 5.34 -4.06 1.61 8.00 -1.26 -5.02 116.55 121.17 1x6b n ASP 16 Ca 0.00 -3.70 -0.36 0.00 0.71 0.00 0.00 54.79 51.44 1x6b n ASP 16 Cb 0.00 -0.87 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 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 -1.04 -4.93 0.00 0.64 4.77 -1.26 -4.89 117.00 110.29 1x6b n LEU 17 Ca 0.59 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.57 1x6b n LEU 17 Cb 1.20 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1x6b n LEU 17 CO 0.66 -5.31 0.23 1.55 -1.33 0.00 0.00 177.39 173.19 1x6b h PRO 18 N -1.09 0.57 -3.79 3.23 0.13 -1.90 -3.50 132.00 125.65 1x6b h PRO 18 Ca -0.44 -0.55 0.03 0.00 -0.87 0.00 0.00 66.00 64.17 1x6b h PRO 18 Cb 1.31 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1x6b h PRO 18 CO 0.24 1.17 -1.00 1.04 -0.23 0.00 0.00 178.00 179.22 1x6b n GLN 19 N -4.09 -4.10 -3.97 0.86 6.02 -1.26 -3.70 117.38 107.14 1x6b n GLN 19 Ca -0.10 3.19 -0.09 0.00 -0.01 0.00 0.00 57.00 60.00 1x6b n GLN 19 Cb 0.72 -4.04 -0.11 0.00 1.02 0.00 0.00 30.24 27.83 1x6b n GLN 19 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1x6b s VAL 20 N -5.36 0.11 -0.21 5.09 -7.23 -1.10 -1.85 120.40 109.85 1x6b s VAL 20 Ca 0.00 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.19 1x6b s VAL 20 Cb 0.00 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 1x6b s VAL 20 CO 0.00 -0.51 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.57 1x6b s GLU 21 N -1.62 3.50 0.13 4.82 2.12 -1.02 -1.68 118.70 124.96 1x6b s GLU 21 Ca -0.14 -0.57 -0.31 0.00 0.36 0.00 0.00 54.97 54.31 1x6b s GLU 21 Cb -0.08 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.15 1x6b s GLU 21 CO -0.01 -0.11 1.51 0.42 -0.54 0.00 0.00 175.26 176.53 1x6b s ILE 22 N 1.30 2.95 -0.17 -3.70 -1.09 0.30 -1.47 121.20 119.31 1x6b s ILE 22 Ca 0.04 0.64 0.19 0.00 -2.23 0.00 0.00 60.65 59.29 1x6b s ILE 22 Cb -0.15 -3.41 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 1x6b s ILE 22 CO -0.00 0.04 0.95 0.71 -1.23 0.00 0.00 174.94 175.41 1x6b h THR 23 N 4.25 0.31 -2.92 2.92 1.35 -1.82 1.65 112.91 118.65 1x6b h THR 23 Ca -0.42 -1.60 -0.12 0.00 -0.55 0.00 0.00 66.41 63.73 1x6b h THR 23 Cb 1.20 1.84 -0.21 0.00 -1.73 0.00 0.00 68.15 69.26 1x6b h THR 23 CO 0.90 0.18 -0.24 -1.59 -0.25 0.00 0.00 175.52 174.52 1x6b s LYS 24 N -3.10 0.66 0.24 4.72 -2.85 -1.26 -4.40 119.74 113.75 1x6b s LYS 24 Ca -0.01 -0.03 -0.31 0.00 -1.00 0.00 0.00 55.97 54.61 1x6b s LYS 24 Cb 0.09 0.30 -0.13 0.00 -2.06 0.00 0.00 37.83 36.03 1x6b s LYS 24 CO 0.80 -0.17 1.49 0.00 0.10 0.00 0.00 175.35 177.57 1x6b n ALA 25 N 1.53 1.60 -3.76 0.59 0.00 -1.26 -4.56 120.51 114.65 1x6b n ALA 25 Ca -0.20 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1x6b n ALA 25 Cb 0.56 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 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 0.11 3.56 -0.37 0.00 5.36 -0.85 -4.90 117.98 120.89 1x6b s PHE 26 Ca 0.68 -3.02 -0.27 0.00 -0.96 0.00 0.00 56.93 53.36 1x6b s PHE 26 Cb -0.60 -3.06 -0.07 0.00 -0.34 0.00 0.00 43.02 38.95 1x6b s PHE 26 CO 0.47 -0.73 2.33 1.19 -1.46 0.00 0.00 175.22 177.02 1x6b n PHE 27 N 2.74 1.67 -1.86 10.12 3.72 -1.26 -2.73 117.46 129.87 1x6b n PHE 27 Ca 0.14 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 1x6b n PHE 27 Cb 0.36 -2.67 -0.02 0.00 -0.94 0.00 0.00 39.48 36.21 1x6b n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b s ALA 28 N 10.19 3.75 -0.13 4.37 0.00 -1.26 -4.89 121.76 133.78 1x6b s ALA 28 Ca 1.01 1.48 0.07 0.00 0.00 0.00 0.00 51.96 54.52 1x6b s ALA 28 Cb -0.29 -3.63 -0.13 0.00 0.00 0.00 0.00 23.12 19.07 1x6b s ALA 28 CO 0.32 -0.88 -0.02 0.36 0.00 0.00 0.00 175.76 175.53 1x6b n LYS 29 N 2.72 1.42 -1.79 0.00 -0.00 -1.26 -4.87 118.16 114.38 1x6b n LYS 29 Ca 0.10 0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.26 1x6b n LYS 29 Cb 0.38 -1.32 0.10 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.64 -0.16 0.00 -1.58 6.02 -1.26 -5.00 117.38 112.76 1x6b n GLN 30 Ca -0.23 -1.76 0.12 0.00 -0.01 0.00 0.00 57.00 55.12 1x6b n GLN 30 Cb 0.86 -0.59 0.12 0.00 1.02 0.00 0.00 30.24 31.65 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6b n ALA 31 N -3.12 2.79 -0.01 -1.58 0.00 -1.26 -3.97 120.51 113.36 1x6b n ALA 31 Ca -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 52.75 1x6b n ALA 31 Cb 0.41 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 0.80 0.72 -3.51 0.00 5.68 -1.26 -4.98 116.55 114.00 1x6b n ASP 32 Ca 0.13 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.20 1x6b n ASP 32 Cb 0.53 1.79 0.16 0.00 -1.14 0.00 0.00 41.12 42.46 1x6b n ASP 32 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x6b n GLU 33 N -2.18 -0.95 -3.69 0.11 1.02 -1.25 -0.18 120.64 113.51 1x6b n GLU 33 Ca -0.05 -1.64 -0.10 0.00 -0.02 0.00 0.00 57.16 55.35 1x6b n GLU 33 Cb 0.53 -1.03 -0.10 0.00 -0.02 0.00 0.00 31.44 30.81 1x6b n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x6b s VAL 34 N -3.21 -0.02 0.19 2.62 0.11 -1.25 -4.43 120.40 114.41 1x6b s VAL 34 Ca 0.58 0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 59.40 1x6b s VAL 34 Cb -0.02 -0.65 -0.09 0.00 -1.53 0.00 0.00 36.38 34.09 1x6b s VAL 34 CO 0.41 0.03 1.43 -0.89 -3.33 0.00 0.00 175.10 172.75 1x6b s THR 35 N 1.27 2.90 0.35 5.04 2.01 -1.25 -4.35 115.64 121.59 1x6b s THR 35 Ca -0.08 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.65 1x6b s THR 35 Cb -0.07 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1x6b s THR 35 CO -0.12 0.09 0.07 -0.76 -0.69 0.00 0.00 174.62 173.21 1x6b s LEU 36 N 0.33 2.14 0.44 4.42 1.43 -1.10 -4.92 118.68 121.42 1x6b s LEU 36 Ca 0.62 -1.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1x6b s LEU 36 Cb -0.40 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 1x6b s LEU 36 CO 0.37 -0.68 0.07 -1.10 0.23 0.00 0.00 176.35 175.23 1x6b s GLN 37 N -3.86 2.01 0.02 1.70 -1.52 -1.26 -2.01 119.66 114.74 1x6b s GLN 37 Ca 0.33 -2.24 -0.30 0.00 -1.95 0.00 0.00 55.36 51.20 1x6b s GLN 37 Cb 0.07 -1.04 -0.05 0.00 -0.22 0.00 0.00 33.01 31.77 1x6b s GLN 37 CO 0.15 -0.39 1.23 -1.14 -0.25 0.00 0.00 175.29 174.89 1x6b s GLN 38 N -3.79 4.38 -0.64 2.91 0.74 -1.26 -2.95 119.66 119.06 1x6b s GLN 38 Ca 0.18 1.77 -0.04 0.00 0.05 0.00 0.00 55.36 57.33 1x6b s GLN 38 Cb 0.03 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1x6b s GLN 38 CO 0.10 -0.36 0.55 0.00 -0.55 0.00 0.00 175.29 175.04 1x6b n ALA 39 N 4.51 -0.65 -2.82 1.58 0.00 0.56 -4.96 120.51 118.72 1x6b n ALA 39 Ca 0.10 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 1x6b n ALA 39 Cb 0.46 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 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 -3.20 5.61 -0.02 0.00 1.11 -1.09 -4.82 116.67 114.27 1x6b s ASP 40 Ca 0.25 0.08 -0.19 0.00 0.18 0.00 0.00 52.55 52.88 1x6b s ASP 40 Cb -0.11 -1.96 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 1x6b s ASP 40 CO 0.35 0.18 0.52 -0.69 1.18 0.00 0.00 175.17 176.71 1x6b s VAL 41 N 0.34 4.98 -0.05 -1.27 1.01 -1.26 0.11 120.40 124.26 1x6b s VAL 41 Ca 0.03 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.12 1x6b s VAL 41 Cb -0.12 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1x6b s VAL 41 CO 0.00 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.77 1x6b s VAL 42 N -0.29 0.82 -0.47 2.92 1.01 -0.68 -2.31 120.40 121.41 1x6b s VAL 42 Ca 0.28 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1x6b s VAL 42 Cb -0.17 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1x6b s VAL 42 CO 0.15 0.28 0.88 -0.22 0.00 0.00 0.00 175.10 176.19 1x6b s LEU 43 N 0.63 4.11 0.36 3.92 2.96 -0.10 -2.71 118.68 127.85 1x6b s LEU 43 Ca -0.11 -0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.47 1x6b s LEU 43 Cb -0.14 -3.05 -0.11 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO 0.02 -1.04 1.49 -0.69 -1.32 0.00 0.00 176.35 174.81 1x6b s VAL 44 N 3.63 2.11 0.00 1.68 1.01 -1.26 0.19 120.40 127.76 1x6b s VAL 44 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1x6b s VAL 44 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x6b s VAL 44 CO 0.24 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.54 1x6b n LEU 45 N 0.79 2.57 -3.66 3.92 4.77 0.50 -4.82 117.00 121.07 1x6b n LEU 45 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 1x6b n LEU 45 Cb 0.39 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1x6b n LEU 45 CO 0.63 0.43 -0.32 -1.10 -1.33 0.00 0.00 177.39 175.69 1x6b s GLN 46 N -1.96 -0.04 -0.34 3.23 -0.21 -0.85 -4.99 119.66 114.51 1x6b s GLN 46 Ca 0.00 0.33 -0.16 0.00 0.02 0.00 0.00 55.36 55.55 1x6b s GLN 46 Cb 0.00 -0.69 -0.01 0.00 1.00 0.00 0.00 33.01 33.31 1x6b s GLN 46 CO 0.00 -0.38 0.42 -0.65 -2.12 0.00 0.00 175.29 172.56 1x6b s GLN 47 N 2.18 3.64 -0.18 2.91 -0.21 -1.26 0.39 119.66 127.12 1x6b s GLN 47 Ca 0.04 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.17 1x6b s GLN 47 Cb -0.13 -3.79 0.04 0.00 1.00 0.00 0.00 33.01 30.14 1x6b s GLN 47 CO -0.04 -0.54 -0.10 -2.00 -2.12 0.00 0.00 175.29 170.49 1x6b s GLU 48 N 2.16 1.97 -0.82 2.91 2.12 -0.34 -5.00 118.70 121.69 1x6b s GLU 48 Ca 0.15 -0.74 -0.35 0.00 0.36 0.00 0.00 54.97 54.39 1x6b s GLU 48 Cb -0.16 -2.29 -0.21 0.00 0.26 0.00 0.00 34.13 31.73 1x6b s GLU 48 CO 0.12 -0.40 2.48 -3.47 -0.54 0.00 0.00 175.26 173.45 1x6b n ASP 49 N 4.73 0.43 0.00 -1.70 2.03 -1.26 0.12 116.55 120.91 1x6b n ASP 49 Ca -0.15 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1x6b n ASP 49 Cb 0.47 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 6.73 3.71 2.96 0.27 0.00 -1.26 -5.07 105.19 112.53 1x6b n GLY 50 Ca 0.61 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.10 -0.21 1.61 0.52 0.33 -4.67 118.94 116.63 1x6b s TRP 51 Ca 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 55.90 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 -0.13 -0.13 -0.51 0.02 0.00 0.00 176.95 176.20 1x6b s LEU 52 N -0.80 2.59 0.12 2.99 2.01 0.82 -1.20 118.68 125.20 1x6b s LEU 52 Ca -0.09 -0.69 -0.17 0.00 0.01 0.00 0.00 54.13 53.20 1x6b s LEU 52 Cb -0.05 -1.58 -0.07 0.00 0.01 0.00 0.00 46.19 44.50 1x6b s LEU 52 CO -0.00 -0.04 0.56 -0.47 1.01 0.00 0.00 176.35 177.41 1x6b s TYR 53 N 1.32 3.69 0.10 0.29 5.04 0.16 -0.11 117.35 127.84 1x6b s TYR 53 Ca 0.03 1.16 -0.09 0.00 -2.44 0.00 0.00 57.07 55.74 1x6b s TYR 53 Cb -0.14 -2.43 0.03 0.00 0.35 0.00 0.00 41.96 39.77 1x6b s TYR 53 CO -0.09 0.49 0.43 0.41 -1.34 0.00 0.00 175.55 175.45 1x6b n GLY 54 N 1.17 1.11 3.00 8.97 0.00 -0.95 0.19 105.19 118.69 1x6b n GLY 54 Ca -0.07 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.03 2.11 -0.31 1.61 -6.30 0.52 -1.91 118.70 112.39 1x6b s GLU 55 Ca 0.09 -0.80 -0.27 0.00 -2.50 0.00 0.00 54.97 51.49 1x6b s GLU 55 Cb -0.01 -2.37 -0.05 0.00 0.00 0.00 0.00 34.13 31.69 1x6b s GLU 55 CO 0.03 -0.39 2.27 0.50 0.02 0.00 0.00 175.26 177.69 1x6b s ARG 56 N 1.40 2.79 0.61 4.30 3.52 0.38 -0.93 118.95 131.03 1x6b s ARG 56 Ca -0.00 1.79 0.30 0.00 -0.13 0.00 0.00 55.73 57.69 1x6b s ARG 56 Cb -0.16 -4.44 1.63 0.00 -1.56 0.00 0.00 34.95 30.42 1x6b s ARG 56 CO -0.09 -2.50 2.00 -0.07 -0.81 0.00 0.00 175.30 173.84 1x6b h LEU 57 N 16.56 0.00 -0.24 -0.88 -0.00 -1.77 1.81 115.31 130.79 1x6b h LEU 57 Ca -0.35 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.55 1x6b h LEU 57 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.87 1x6b h LEU 57 CO 1.03 0.00 -0.23 -0.09 -0.00 0.00 0.00 178.44 179.15 1x6b h ARG 58 N 0.00 -0.10 0.00 1.13 2.43 -1.87 -3.34 114.38 112.63 1x6b h ARG 58 Ca 0.11 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1x6b h ARG 58 Cb 0.74 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1x6b h ARG 58 CO -0.00 -0.07 -1.21 -0.25 -1.51 0.00 0.00 179.97 176.93 1x6b n ASP 59 N -3.80 4.15 0.00 -3.80 9.92 -0.99 -4.99 116.55 117.03 1x6b n ASP 59 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1x6b n ASP 59 Cb 0.12 0.81 0.00 0.00 -0.64 0.00 0.00 41.12 41.41 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x6b n GLY 60 N 2.60 1.53 3.71 0.44 0.00 0.61 -5.05 105.19 109.03 1x6b n GLY 60 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.10 4.35 -0.32 1.61 2.12 -1.12 -4.59 118.70 120.65 1x6b s GLU 61 Ca 0.00 1.95 -0.08 0.00 0.36 0.00 0.00 54.97 57.21 1x6b s GLU 61 Cb 0.00 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.05 1x6b s GLU 61 CO 0.00 -0.41 0.11 0.99 -0.54 0.00 0.00 175.26 175.41 1x6b s THR 62 N 1.39 4.08 0.18 -1.70 2.01 -1.26 0.14 115.64 120.49 1x6b s THR 62 Ca 0.62 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1x6b s THR 62 Cb -0.33 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 1x6b s THR 62 CO 0.29 -0.02 0.23 0.61 -0.69 0.00 0.00 174.62 175.03 1x6b n GLY 63 N 4.89 2.83 3.59 4.40 0.00 -0.80 -4.96 105.19 115.12 1x6b n GLY 63 Ca -0.14 -1.58 -0.39 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 -3.60 3.23 -0.07 1.61 0.52 0.75 -2.23 118.94 119.15 1x6b s TRP 64 Ca 0.17 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.58 1x6b s TRP 64 Cb -0.00 -2.56 -0.00 0.00 -1.15 0.00 0.00 33.47 29.75 1x6b s TRP 64 CO 0.12 -0.27 -0.21 -0.59 0.02 0.00 0.00 176.95 176.02 1x6b s PHE 65 N 2.00 2.21 0.53 -1.98 -0.12 0.84 -3.83 117.98 117.63 1x6b s PHE 65 Ca 0.13 -0.77 -0.18 0.00 -0.05 0.00 0.00 56.93 56.05 1x6b s PHE 65 Cb -0.16 -1.48 -0.07 0.00 -0.63 0.00 0.00 43.02 40.69 1x6b s PHE 65 CO 0.11 -0.29 1.04 -1.25 -0.05 0.00 0.00 175.22 174.78 1x6b s PRO 66 N 0.17 3.62 0.19 1.99 0.04 -1.26 -0.13 135.00 139.62 1x6b s PRO 66 Ca -0.11 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 1x6b s PRO 66 Cb -0.15 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.42 1x6b s PRO 66 CO 0.05 -0.57 1.49 1.05 0.04 0.00 0.00 177.00 179.06 1x6b h GLU 67 N 1.08 0.51 -0.23 4.56 4.11 -1.87 -2.75 114.58 119.98 1x6b h GLU 67 Ca -0.48 -0.34 0.07 0.00 0.07 0.00 0.00 59.36 58.67 1x6b h GLU 67 Cb 1.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x6b h GLU 67 CO 0.59 0.96 0.47 0.22 0.07 0.00 0.00 179.01 181.31 1x6b h ASP 68 N 0.38 0.00 -0.57 3.06 1.82 -1.94 1.04 116.42 120.21 1x6b h ASP 68 Ca -0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.31 1x6b h ASP 68 Cb 1.15 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 40.97 1x6b h ASP 68 CO 0.11 0.00 0.08 0.49 -1.61 0.00 0.00 179.24 178.31 1x6b n PHE 69 N -3.24 1.81 -3.49 0.28 3.01 -1.04 -4.96 117.46 109.84 1x6b n PHE 69 Ca 0.03 -1.84 -0.09 0.00 1.01 0.00 0.00 57.45 56.56 1x6b n PHE 69 Cb 0.58 -0.66 -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 -3.35 -1.78 -0.19 4.37 0.00 0.36 -3.61 121.76 117.56 1x6b s ALA 70 Ca 0.49 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.40 1x6b s ALA 70 Cb 0.43 0.45 0.05 0.00 0.00 0.00 0.00 23.12 24.05 1x6b s ALA 70 CO 0.02 -0.68 -0.05 1.03 0.00 0.00 0.00 175.76 176.08 1x6b s ARG 71 N -3.12 1.52 0.21 0.00 0.52 -0.54 -4.81 118.95 112.73 1x6b s ARG 71 Ca 0.04 -0.71 -0.32 0.00 -0.52 0.00 0.00 55.73 54.22 1x6b s ARG 71 Cb -0.01 -2.26 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 1x6b s ARG 71 CO -0.09 -0.50 1.43 1.19 0.02 0.00 0.00 175.30 177.35 1x6b n PHE 72 N 4.80 2.10 -3.57 -0.53 3.72 -1.26 -2.42 117.46 120.29 1x6b n PHE 72 Ca -0.12 0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 57.29 1x6b n PHE 72 Cb 0.46 -2.46 -0.09 0.00 -0.94 0.00 0.00 39.48 36.45 1x6b n PHE 72 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1x6b s ILE 73 N 0.19 4.13 0.00 4.37 1.01 -0.77 -4.57 121.20 125.56 1x6b s ILE 73 Ca 0.72 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1x6b s ILE 73 Cb -0.68 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1x6b s ILE 73 CO 0.47 -0.78 0.00 -0.24 0.00 0.00 0.00 174.94 174.39 1x6b n SER 74 N 4.82 -1.60 0.00 3.58 2.88 -1.26 -4.68 113.62 117.36 1x6b n SER 74 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1x6b n SER 74 Cb 0.41 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1x6b n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6b n GLY 75 N -1.11 2.88 3.07 0.46 0.00 -1.26 -4.88 105.19 104.34 1x6b n GLY 75 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1x6b n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6b n PRO 76 N 0.00 2.20 -3.94 1.61 -0.04 -1.26 -4.84 135.00 128.72 1x6b n PRO 76 Ca 0.00 -2.35 -0.29 0.00 -0.04 0.00 0.00 63.50 60.82 1x6b n PRO 76 Cb 0.00 -3.21 -0.16 0.00 -0.04 0.00 0.00 33.50 30.09 1x6b n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6b s SER 77 N 4.40 2.77 -0.16 3.54 0.01 -1.26 -4.93 113.70 118.07 1x6b s SER 77 Ca 0.54 -0.59 -0.07 0.00 1.31 0.00 0.00 55.95 57.15 1x6b s SER 77 Cb 0.12 -1.02 0.07 0.00 0.21 0.00 0.00 66.02 65.39 1x6b s SER 77 CO 0.04 -0.13 0.36 -0.55 0.41 0.00 0.00 173.24 173.36 1x6b s SER 78 N 1.57 -0.18 0.00 2.44 0.15 -1.26 -5.09 113.70 111.33 1x6b s SER 78 Ca 0.02 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1x6b s SER 78 Cb -0.14 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1x6b s SER 78 CO -0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.75