#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 -0.01 0.33 1.61 0.15 -1.26 -5.15 113.70 109.38 1x6b s SER 2 Ca 0.00 -0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.36 1x6b s SER 2 Cb 0.00 0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.24 1x6b s SER 2 CO 0.00 -0.04 1.12 -0.94 1.20 0.00 0.00 173.24 174.58 1x6b s SER 3 N -2.93 6.97 0.13 5.45 1.04 -1.26 -5.03 113.70 118.09 1x6b s SER 3 Ca 0.15 2.28 -0.01 0.00 0.48 0.00 0.00 55.95 58.85 1x6b s SER 3 Cb 0.07 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x6b s SER 3 CO -0.06 -0.35 0.19 0.61 0.98 0.00 0.00 173.24 174.61 1x6b n GLY 4 N 0.88 2.71 3.97 7.32 0.00 -1.26 -5.18 105.19 113.64 1x6b n GLY 4 Ca 0.01 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.82 5.45 -0.02 1.61 0.01 -1.26 -5.06 113.70 112.61 1x6b s SER 5 Ca 0.11 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 1x6b s SER 5 Cb -0.00 -0.60 -0.12 0.00 0.21 0.00 0.00 66.02 65.51 1x6b s SER 5 CO 0.08 -0.75 0.82 -1.28 0.41 0.00 0.00 173.24 172.53 1x6b h SER 6 N 0.75 -0.49 0.00 2.44 0.87 -2.06 -3.49 113.55 111.57 1x6b h SER 6 Ca -0.40 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1x6b h SER 6 Cb 1.28 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1x6b h SER 6 CO 0.49 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 1x6b n GLY 7 N 0.13 3.79 3.77 5.77 0.00 -1.26 -5.12 105.19 112.28 1x6b n GLY 7 Ca -0.08 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 3.01 0.62 1.61 0.52 -1.26 -5.01 118.94 118.43 1x6b s TRP 8 Ca 0.00 1.49 -0.06 0.00 0.02 0.00 0.00 56.10 57.55 1x6b s TRP 8 Cb 0.00 -3.53 0.02 0.00 -1.15 0.00 0.00 33.47 28.81 1x6b s TRP 8 CO 0.00 -1.62 0.94 -1.14 0.02 0.00 0.00 176.95 175.15 1x6b s GLN 9 N -2.14 2.75 0.00 4.98 0.74 -1.26 -4.66 119.66 120.07 1x6b s GLN 9 Ca 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.93 1x6b s GLN 9 Cb -0.35 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1x6b s GLN 9 CO 0.45 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.75 1x6b n GLY 10 N -2.69 0.00 1.11 2.59 0.00 -1.26 -4.96 105.19 99.98 1x6b n GLY 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.38 0.66 -3.51 0.99 4.32 -1.26 -5.03 117.00 114.55 1x6b n LEU 11 Ca 0.00 0.11 -0.25 0.00 -0.02 0.00 0.00 56.01 55.86 1x6b n LEU 11 Cb 0.39 -0.18 -0.14 0.00 -1.62 0.00 0.00 43.42 41.87 1x6b n LEU 11 CO 0.00 -0.67 -0.28 -0.44 -1.22 0.00 0.00 177.39 174.78 1x6b s SER 12 N -5.57 2.72 -0.05 -1.43 0.01 -1.26 -5.02 113.70 103.09 1x6b s SER 12 Ca 0.00 -0.97 -0.04 0.00 1.31 0.00 0.00 55.95 56.25 1x6b s SER 12 Cb 0.00 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1x6b s SER 12 CO 0.00 -0.41 0.08 -1.20 0.41 0.00 0.00 173.24 172.13 1x6b n SER 13 N 5.28 -4.53 -3.51 2.44 7.64 -1.26 -5.09 113.62 114.59 1x6b n SER 13 Ca -0.05 1.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.93 1x6b n SER 13 Cb 0.45 -4.14 -0.02 0.00 -1.01 0.00 0.00 64.21 59.49 1x6b n SER 13 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1x6b s LYS 14 N -0.89 1.36 0.00 1.43 2.20 -1.26 -5.04 119.74 117.55 1x6b s LYS 14 Ca -0.10 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1x6b s LYS 14 Cb 0.01 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1x6b s LYS 14 CO 0.26 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1x6b n GLY 15 N -0.39 -0.62 0.36 5.54 0.00 -1.26 -4.95 105.19 103.87 1x6b n GLY 15 Ca -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.47 1x6b n GLY 15 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x6b h ASP 16 N 0.00 0.99 -3.03 1.61 3.58 -2.02 -3.48 116.42 114.07 1x6b h ASP 16 Ca 0.00 0.01 0.30 0.00 0.42 0.00 0.00 57.03 57.76 1x6b h ASP 16 Cb 0.00 -0.20 -0.14 0.00 1.72 0.00 0.00 39.33 40.71 1x6b h ASP 16 CO 0.00 0.64 -0.89 0.18 -2.88 0.00 0.00 179.24 176.28 1x6b n LEU 17 N -4.53 -0.79 -4.71 2.28 4.77 -1.26 -4.69 117.00 108.08 1x6b n LEU 17 Ca 0.15 1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 57.52 1x6b n LEU 17 Cb 0.18 -3.52 -0.03 0.00 -2.33 0.00 0.00 43.42 37.72 1x6b n LEU 17 CO 0.32 -2.14 0.88 -2.16 -1.33 0.00 0.00 177.39 172.96 1x6b s PRO 18 N -3.83 4.42 -0.05 3.23 0.04 -1.26 -4.93 135.00 132.62 1x6b s PRO 18 Ca 0.00 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1x6b s PRO 18 Cb 0.00 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1x6b s PRO 18 CO 0.00 -0.29 -0.23 -0.65 0.04 0.00 0.00 177.00 175.87 1x6b s GLN 19 N 1.36 2.32 -0.04 4.56 -0.21 -1.26 -1.72 119.66 124.66 1x6b s GLN 19 Ca 0.57 -0.84 0.07 0.00 0.02 0.00 0.00 55.36 55.19 1x6b s GLN 19 Cb -0.27 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 1x6b s GLN 19 CO 0.27 0.37 -0.25 0.14 -2.12 0.00 0.00 175.29 173.70 1x6b s VAL 20 N -0.16 2.10 -0.29 1.09 -7.23 -1.14 -2.42 120.40 112.35 1x6b s VAL 20 Ca -0.02 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 1x6b s VAL 20 Cb -0.13 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1x6b s VAL 20 CO 0.03 0.58 0.47 -0.70 -0.31 0.00 0.00 175.10 175.16 1x6b s GLU 21 N -0.39 3.89 0.10 4.82 2.12 -1.13 -2.60 118.70 125.51 1x6b s GLU 21 Ca 0.03 0.07 -0.31 0.00 0.36 0.00 0.00 54.97 55.12 1x6b s GLU 21 Cb -0.12 -3.71 -0.09 0.00 0.26 0.00 0.00 34.13 30.47 1x6b s GLU 21 CO 0.01 -0.43 1.72 0.42 -0.54 0.00 0.00 175.26 176.45 1x6b s ILE 22 N 2.26 2.79 0.06 -3.70 -1.09 0.35 -2.44 121.20 119.43 1x6b s ILE 22 Ca 0.18 0.29 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 1x6b s ILE 22 Cb -0.16 -3.19 -0.22 0.00 -1.58 0.00 0.00 42.46 37.31 1x6b s ILE 22 CO 0.11 0.00 1.07 0.71 -1.23 0.00 0.00 174.94 175.60 1x6b h THR 23 N 4.70 1.43 -3.50 2.92 1.35 -1.77 1.79 112.91 119.83 1x6b h THR 23 Ca -0.44 -3.17 -0.13 0.00 -0.55 0.00 0.00 66.41 62.11 1x6b h THR 23 Cb 1.21 2.72 -0.20 0.00 -1.73 0.00 0.00 68.15 70.15 1x6b h THR 23 CO 0.94 0.82 -0.45 -1.59 -0.25 0.00 0.00 175.52 174.99 1x6b s LYS 24 N -2.67 0.55 0.33 4.72 -2.85 -1.26 -4.28 119.74 114.28 1x6b s LYS 24 Ca -0.01 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.20 1x6b s LYS 24 Cb 0.09 0.23 -0.12 0.00 -2.06 0.00 0.00 37.83 35.97 1x6b s LYS 24 CO 0.83 -0.14 1.46 0.00 0.10 0.00 0.00 175.35 177.60 1x6b n ALA 25 N 1.21 2.00 -3.87 0.59 0.00 -1.26 -4.57 120.51 114.62 1x6b n ALA 25 Ca -0.22 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1x6b n ALA 25 Cb 0.56 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.64 3.47 -0.27 0.00 5.36 -0.58 -4.90 117.98 120.43 1x6b s PHE 26 Ca 0.59 -3.19 -0.28 0.00 -0.96 0.00 0.00 56.93 53.09 1x6b s PHE 26 Cb -0.53 -2.86 -0.06 0.00 -0.34 0.00 0.00 43.02 39.24 1x6b s PHE 26 CO 0.57 -0.66 2.26 1.19 -1.46 0.00 0.00 175.22 177.12 1x6b n PHE 27 N 2.53 1.86 -1.74 10.12 3.72 -1.26 -2.73 117.46 129.96 1x6b n PHE 27 Ca 0.14 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1x6b n PHE 27 Cb 0.35 -2.71 -0.02 0.00 -0.94 0.00 0.00 39.48 36.15 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 9.00 3.88 -0.16 4.37 0.00 -1.26 -4.89 121.76 132.71 1x6b s ALA 28 Ca 1.01 1.60 0.09 0.00 0.00 0.00 0.00 51.96 54.65 1x6b s ALA 28 Cb -0.32 -3.68 -0.16 0.00 0.00 0.00 0.00 23.12 18.96 1x6b s ALA 28 CO 0.34 -0.96 -0.03 0.36 0.00 0.00 0.00 175.76 175.48 1x6b n LYS 29 N 3.34 1.18 -1.58 0.00 -0.00 -1.26 -4.90 118.16 114.95 1x6b n LYS 29 Ca 0.13 0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.40 1x6b n LYS 29 Cb 0.36 -1.38 0.03 0.00 -0.00 0.00 0.00 35.03 34.04 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 -2.73 0.62 0.00 -1.58 1.13 -1.26 -5.01 117.38 108.54 1x6b n GLN 30 Ca -0.28 -1.13 0.12 0.00 -1.94 0.00 0.00 57.00 53.77 1x6b n GLN 30 Cb 0.94 -0.17 0.11 0.00 0.11 0.00 0.00 30.24 31.23 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 -2.84 3.57 0.69 -1.58 0.00 -1.26 -3.83 120.51 115.26 1x6b n ALA 31 Ca -0.06 -0.55 0.10 0.00 0.00 0.00 0.00 53.44 52.93 1x6b n ALA 31 Cb 0.23 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.46 0.69 -4.82 0.00 5.68 -1.26 -4.96 116.55 111.42 1x6b n ASP 32 Ca 0.09 -0.66 -0.23 0.00 -0.50 0.00 0.00 54.79 53.49 1x6b n ASP 32 Cb 0.41 1.26 0.08 0.00 -1.14 0.00 0.00 41.12 41.73 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 -3.16 2.07 -0.06 0.11 2.02 -1.25 -0.03 118.70 118.41 1x6b s GLU 33 Ca 0.03 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 1x6b s GLU 33 Cb 0.15 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 32.05 1x6b s GLU 33 CO 0.87 -1.15 0.16 0.54 0.02 0.00 0.00 175.26 175.71 1x6b s VAL 34 N -3.03 -0.00 0.18 2.63 0.11 -1.25 -4.57 120.40 114.47 1x6b s VAL 34 Ca 0.62 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 1x6b s VAL 34 Cb -0.08 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.45 1x6b s VAL 34 CO 0.42 0.01 1.23 -0.89 -3.33 0.00 0.00 175.10 172.53 1x6b s THR 35 N 0.19 3.50 0.21 5.04 2.01 -1.25 -4.17 115.64 121.17 1x6b s THR 35 Ca -0.01 1.24 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1x6b s THR 35 Cb -0.02 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1x6b s THR 35 CO -0.00 0.19 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.34 1x6b s LEU 36 N -0.16 2.25 0.45 4.42 1.43 -1.11 -4.91 118.68 121.06 1x6b s LEU 36 Ca 0.54 -1.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1x6b s LEU 36 Cb -0.33 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1x6b s LEU 36 CO 0.37 -0.48 0.05 -1.10 0.23 0.00 0.00 176.35 175.41 1x6b s GLN 37 N -3.84 2.09 0.03 1.70 -1.52 -1.26 -1.53 119.66 115.33 1x6b s GLN 37 Ca 0.26 -2.19 -0.30 0.00 -1.95 0.00 0.00 55.36 51.18 1x6b s GLN 37 Cb 0.05 -1.66 -0.06 0.00 -0.22 0.00 0.00 33.01 31.12 1x6b s GLN 37 CO 0.07 -0.20 1.34 -1.14 -0.25 0.00 0.00 175.29 175.11 1x6b s GLN 38 N -3.82 4.32 -0.57 2.91 0.74 -1.26 -3.03 119.66 118.95 1x6b s GLN 38 Ca 0.25 1.92 -0.01 0.00 0.05 0.00 0.00 55.36 57.57 1x6b s GLN 38 Cb 0.06 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1x6b s GLN 38 CO 0.13 -0.48 0.48 0.00 -0.55 0.00 0.00 175.29 174.87 1x6b n ALA 39 N 4.82 -0.89 -2.78 1.58 0.00 0.61 -4.97 120.51 118.88 1x6b n ALA 39 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1x6b n ALA 39 Cb 0.44 -1.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.56 4.44 -0.05 0.00 1.11 -1.09 -4.83 116.67 112.70 1x6b s ASP 40 Ca 0.04 -0.15 -0.14 0.00 0.18 0.00 0.00 52.55 52.48 1x6b s ASP 40 Cb -0.02 -1.39 -0.05 0.00 1.07 0.00 0.00 42.92 42.53 1x6b s ASP 40 CO 0.34 0.26 0.37 -0.69 1.18 0.00 0.00 175.17 176.63 1x6b s VAL 41 N -0.22 5.14 -0.02 -1.27 1.01 -1.26 0.13 120.40 123.91 1x6b s VAL 41 Ca 0.02 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1x6b s VAL 41 Cb -0.13 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1x6b s VAL 41 CO 0.03 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.95 1x6b s VAL 42 N -0.72 0.27 -0.46 2.92 1.01 -1.07 -2.54 120.40 119.81 1x6b s VAL 42 Ca 0.22 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1x6b s VAL 42 Cb -0.16 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 35.96 1x6b s VAL 42 CO 0.11 0.12 0.83 -0.22 0.00 0.00 0.00 175.10 175.94 1x6b s LEU 43 N 0.44 4.19 0.36 3.92 2.96 -0.62 -2.87 118.68 127.06 1x6b s LEU 43 Ca -0.04 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 1x6b s LEU 43 Cb -0.08 -3.01 -0.11 0.00 0.50 0.00 0.00 46.19 43.50 1x6b s LEU 43 CO -0.01 -0.97 1.46 -0.69 -1.32 0.00 0.00 176.35 174.82 1x6b s VAL 44 N 3.44 2.18 -0.02 1.68 1.01 -0.70 0.20 120.40 128.19 1x6b s VAL 44 Ca 0.31 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1x6b s VAL 44 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1x6b s VAL 44 CO 0.23 0.04 -0.02 0.18 0.00 0.00 0.00 175.10 175.54 1x6b n LEU 45 N 0.58 2.87 -3.70 3.92 4.77 0.54 -4.67 117.00 121.31 1x6b n LEU 45 Ca 0.01 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.40 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1x6b n LEU 45 CO 0.63 0.51 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.82 1x6b s GLN 46 N -2.03 0.01 -0.35 3.23 -0.21 -0.78 -4.98 119.66 114.54 1x6b s GLN 46 Ca -0.02 0.44 -0.13 0.00 0.02 0.00 0.00 55.36 55.67 1x6b s GLN 46 Cb 0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 33.01 33.71 1x6b s GLN 46 CO 0.04 -0.27 0.24 -0.65 -2.12 0.00 0.00 175.29 172.53 1x6b s GLN 47 N 1.91 3.30 -0.21 2.91 -0.21 -1.26 0.62 119.66 126.71 1x6b s GLN 47 Ca -0.00 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.62 1x6b s GLN 47 Cb -0.12 -3.80 0.04 0.00 1.00 0.00 0.00 33.01 30.13 1x6b s GLN 47 CO -0.05 -0.53 -0.16 -2.00 -2.12 0.00 0.00 175.29 170.44 1x6b s GLU 48 N 1.68 2.62 -0.81 2.91 2.56 -0.38 -5.01 118.70 122.27 1x6b s GLU 48 Ca 0.05 -0.99 -0.33 0.00 0.00 0.00 0.00 54.97 53.70 1x6b s GLU 48 Cb -0.18 -2.64 -0.20 0.00 2.00 0.00 0.00 34.13 33.11 1x6b s GLU 48 CO 0.09 -0.35 2.40 -3.47 -0.56 0.00 0.00 175.26 173.37 1x6b n ASP 49 N 4.57 0.40 0.00 -1.70 2.03 -1.26 0.94 116.55 121.54 1x6b n ASP 49 Ca -0.18 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1x6b n ASP 49 Cb 0.47 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 6.44 3.67 3.07 0.27 0.00 -1.26 -5.07 105.19 112.31 1x6b n GLY 50 Ca 0.59 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.75 -0.11 1.61 0.52 0.27 -4.65 118.94 117.33 1x6b s TRP 51 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1x6b s TRP 51 Cb 0.00 -0.45 -0.00 0.00 -1.15 0.00 0.00 33.47 31.87 1x6b s TRP 51 CO 0.00 -0.05 -0.22 -0.51 0.02 0.00 0.00 176.95 176.19 1x6b s LEU 52 N -1.38 2.22 -0.04 2.99 2.01 0.04 -1.25 118.68 123.27 1x6b s LEU 52 Ca -0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 54.13 53.54 1x6b s LEU 52 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 46.19 44.62 1x6b s LEU 52 CO 0.01 0.16 0.09 -0.47 1.01 0.00 0.00 176.35 177.15 1x6b s TYR 53 N 0.34 3.35 0.07 0.29 5.04 0.20 0.15 117.35 126.79 1x6b s TYR 53 Ca -0.17 0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.68 1x6b s TYR 53 Cb -0.18 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.36 1x6b s TYR 53 CO 0.08 0.58 0.30 0.41 -1.34 0.00 0.00 175.55 175.58 1x6b n GLY 54 N 1.49 1.21 2.88 8.97 0.00 -1.00 0.20 105.19 118.94 1x6b n GLY 54 Ca -0.15 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 1.30 -0.14 1.61 -6.30 0.54 -2.10 118.70 111.60 1x6b s GLU 55 Ca 0.06 -0.93 -0.33 0.00 -2.50 0.00 0.00 54.97 51.27 1x6b s GLU 55 Cb -0.01 -2.45 -0.11 0.00 0.00 0.00 0.00 34.13 31.56 1x6b s GLU 55 CO 0.02 -0.67 1.97 -2.13 0.02 0.00 0.00 175.26 174.47 1x6b n ARG 56 N 4.75 2.04 0.29 4.30 0.63 0.48 -1.59 116.66 127.55 1x6b n ARG 56 Ca -0.09 0.71 0.17 0.00 -0.92 0.00 0.00 57.85 57.72 1x6b n ARG 56 Cb 0.44 -2.71 0.83 0.00 0.45 0.00 0.00 32.46 31.47 1x6b n ARG 56 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1x6b h LEU 57 N 10.48 0.00 -0.15 6.15 3.38 -1.80 1.54 115.31 134.92 1x6b h LEU 57 Ca -0.45 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1x6b h LEU 57 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1x6b h LEU 57 CO 0.96 0.05 -0.19 -0.09 0.09 0.00 0.00 178.44 179.26 1x6b h ARG 58 N 0.00 -0.12 0.00 1.13 2.43 -1.87 -3.32 114.38 112.62 1x6b h ARG 58 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1x6b h ARG 58 Cb 0.34 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1x6b h ARG 58 CO 0.01 -0.08 -0.62 -0.25 -1.51 0.00 0.00 179.97 177.51 1x6b n ASP 59 N -3.61 2.10 0.00 -3.80 8.00 -1.21 -5.00 116.55 113.03 1x6b n ASP 59 Ca -0.01 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1x6b n ASP 59 Cb 0.11 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 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 1.66 1.37 3.72 0.44 0.00 0.52 -5.06 105.19 107.84 1x6b n GLY 60 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1x6b n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6b s GLU 61 N -0.74 4.50 -0.32 1.61 2.02 -0.90 -4.66 118.70 120.21 1x6b s GLU 61 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 54.97 56.58 1x6b s GLU 61 Cb 0.00 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.90 1x6b s GLU 61 CO 0.00 -0.13 0.08 0.99 0.02 0.00 0.00 175.26 176.22 1x6b s THR 62 N 0.81 3.61 0.19 3.63 2.01 -1.26 0.18 115.64 124.81 1x6b s THR 62 Ca 0.55 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1x6b s THR 62 Cb -0.27 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1x6b s THR 62 CO 0.30 -0.12 0.24 0.61 -0.69 0.00 0.00 174.62 174.95 1x6b n GLY 63 N 4.77 2.78 3.55 4.40 0.00 -0.89 -4.94 105.19 114.86 1x6b n GLY 63 Ca -0.13 -1.57 -0.40 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 -3.62 3.21 -0.09 1.61 0.52 0.96 -2.37 118.94 119.17 1x6b s TRP 64 Ca 0.17 0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.33 1x6b s TRP 64 Cb -0.00 -2.63 -0.01 0.00 -1.15 0.00 0.00 33.47 29.68 1x6b s TRP 64 CO 0.12 -0.39 -0.20 -0.59 0.02 0.00 0.00 176.95 175.91 1x6b s PHE 65 N 1.98 2.61 0.58 -1.98 -0.12 0.39 -3.96 117.98 117.48 1x6b s PHE 65 Ca 0.11 -0.73 -0.16 0.00 -0.05 0.00 0.00 56.93 56.11 1x6b s PHE 65 Cb -0.17 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.48 1x6b s PHE 65 CO 0.11 -0.23 1.05 -1.25 -0.05 0.00 0.00 175.22 174.86 1x6b s PRO 66 N 0.05 3.41 0.13 1.99 0.04 -1.26 -0.78 135.00 138.59 1x6b s PRO 66 Ca -0.08 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1x6b s PRO 66 Cb -0.15 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1x6b s PRO 66 CO 0.05 -0.73 1.30 1.05 0.04 0.00 0.00 177.00 178.71 1x6b h GLU 67 N 0.53 0.35 -0.02 4.56 4.11 -1.88 -3.01 114.58 119.22 1x6b h GLU 67 Ca -0.47 -0.40 0.01 0.00 0.07 0.00 0.00 59.36 58.57 1x6b h GLU 67 Cb 1.22 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1x6b h GLU 67 CO 0.58 1.09 0.31 0.22 0.07 0.00 0.00 179.01 181.28 1x6b h ASP 68 N 0.19 0.00 -0.35 3.06 3.58 -1.93 1.35 116.42 122.32 1x6b h ASP 68 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1x6b h ASP 68 Cb 1.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1x6b h ASP 68 CO 0.16 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 177.01 1x6b n PHE 69 N -2.95 1.04 -4.02 0.28 3.01 -1.14 -4.97 117.46 108.71 1x6b n PHE 69 Ca -0.02 -0.77 -0.10 0.00 1.01 0.00 0.00 57.45 57.58 1x6b n PHE 69 Cb 0.37 -0.28 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.41 -0.07 -0.15 4.37 0.00 0.46 -2.58 121.76 121.39 1x6b s ALA 70 Ca 0.41 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1x6b s ALA 70 Cb 0.31 1.09 0.05 0.00 0.00 0.00 0.00 23.12 24.58 1x6b s ALA 70 CO 0.12 -0.83 0.07 1.03 0.00 0.00 0.00 175.76 176.15 1x6b s ARG 71 N -3.91 0.20 -0.51 0.00 0.52 -1.02 -4.82 118.95 109.41 1x6b s ARG 71 Ca 0.24 -0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.08 1x6b s ARG 71 Cb -0.00 -1.63 -0.11 0.00 0.52 0.00 0.00 34.95 33.73 1x6b s ARG 71 CO 0.10 -0.59 2.38 1.19 0.02 0.00 0.00 175.30 178.40 1x6b n PHE 72 N 5.23 1.39 0.30 -0.53 3.72 -1.26 -2.85 117.46 123.45 1x6b n PHE 72 Ca -0.07 0.18 -0.17 0.00 -0.05 0.00 0.00 57.45 57.35 1x6b n PHE 72 Cb 0.49 -2.57 -0.09 0.00 -0.94 0.00 0.00 39.48 36.37 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 7.51 0.49 -2.54 4.37 2.04 -1.85 -3.41 117.51 124.10 1x6b h ILE 73 Ca -0.24 -0.01 -0.36 0.00 1.00 0.00 0.00 64.86 65.25 1x6b h ILE 73 Cb 1.29 0.49 -0.36 0.00 -0.74 0.00 0.00 36.82 37.49 1x6b h ILE 73 CO 1.13 0.00 -0.66 -0.44 0.00 0.00 0.00 178.15 178.18 1x6b s SER 74 N -4.58 1.83 0.00 1.72 0.01 -1.26 -5.03 113.70 106.39 1x6b s SER 74 Ca -0.17 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1x6b s SER 74 Cb 0.04 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1x6b s SER 74 CO 0.63 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1x6b n GLY 75 N 5.30 -0.03 3.78 3.44 0.00 -1.26 -4.58 105.19 111.84 1x6b n GLY 75 Ca -0.05 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 0.36 -0.09 1.61 0.04 -1.26 -5.08 135.00 130.59 1x6b s PRO 76 Ca 0.00 -0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 1x6b s PRO 76 Cb 0.00 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1x6b s PRO 76 CO 0.00 -2.67 -0.02 -1.54 0.04 0.00 0.00 177.00 172.81 1x6b s SER 77 N -4.24 1.78 -0.17 6.66 1.04 -1.26 -5.03 113.70 112.48 1x6b s SER 77 Ca 0.69 -0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.81 1x6b s SER 77 Cb -0.10 -0.58 -0.06 0.00 0.10 0.00 0.00 66.02 65.38 1x6b s SER 77 CO 0.54 -0.17 -0.26 -0.24 0.98 0.00 0.00 173.24 174.09 1x6b n SER 78 N 5.08 1.89 0.00 7.02 2.88 -1.26 -5.34 113.62 123.89 1x6b n SER 78 Ca -0.09 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x6b n SER 78 Cb 0.50 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42