#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n GLN 6 N 0.00 1.71 0.00 6.28 6.02 -1.26 -4.94 117.38 125.18 3dll n GLN 6 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 3dll n GLN 6 Cb 0.00 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.62 3dll n GLN 6 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3dll n THR 7 N -0.29 0.00 -0.65 5.09 -1.04 -1.26 -4.98 114.28 111.14 3dll n THR 7 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 3dll n THR 7 Cb 1.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 3dll n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dll n GLY 8 N 1.04 0.00 0.00 3.41 0.00 -1.26 -4.86 105.19 103.52 3dll n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dll n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 9 N 0.17 1.25 0.00 -0.02 0.00 -1.26 -4.79 105.19 100.54 3dll n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dll n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dll n LYS 10 N -0.83 0.00 0.00 1.61 2.85 -1.26 -4.48 118.16 116.06 3dll n LYS 10 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3dll n LYS 10 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3dll n LYS 10 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3dll n GLN 11 N 0.00 0.00 -4.78 -1.58 1.13 -1.16 -4.84 117.38 106.15 3dll n GLN 11 Ca 0.00 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 3dll n GLN 11 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 3dll n GLN 11 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3dll s TYR 12 N 0.00 1.65 0.00 1.08 5.04 -1.20 -4.57 117.35 119.35 3dll s TYR 12 Ca 0.00 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3dll s TYR 12 Cb 0.00 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.28 3dll s TYR 12 CO 0.00 0.01 0.00 0.54 -1.34 0.00 0.00 175.55 174.76 3dll n ARG 13 N 2.37 0.00 -0.65 4.97 1.74 -1.26 -4.92 116.66 118.92 3dll n ARG 13 Ca -0.16 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.92 3dll n ARG 13 Cb 0.54 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.97 3dll n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dll n VAL 14 N 0.00 0.00 -2.07 1.55 0.31 -1.26 -5.01 118.33 111.85 3dll n VAL 14 Ca 0.00 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 3dll n VAL 14 Cb 0.00 0.31 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 3dll n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dll n SER 15 N 0.04 -3.66 -3.39 4.52 7.64 -1.26 -4.98 113.62 112.53 3dll n SER 15 Ca -0.03 0.68 -0.26 0.00 1.01 0.00 0.00 58.87 60.27 3dll n SER 15 Cb 0.64 -3.09 -0.09 0.00 -1.01 0.00 0.00 64.21 60.66 3dll n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dll n GLU 16 N 0.50 0.52 -0.03 1.43 4.71 -1.26 -4.75 120.64 121.76 3dll n GLU 16 Ca -0.07 -3.34 -0.01 0.00 -0.01 0.00 0.00 57.16 53.73 3dll n GLU 16 Cb 0.11 -1.63 -0.00 0.00 -1.01 0.00 0.00 31.44 28.90 3dll n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dll n GLY 17 N 2.37 -0.01 3.74 0.62 0.00 -1.25 -4.55 105.19 106.11 3dll n GLY 17 Ca 0.27 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 3dll n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dll s ASP 18 N 0.12 5.19 -0.00 1.61 1.47 -0.68 -4.85 116.67 119.54 3dll s ASP 18 Ca 0.02 -0.25 -0.23 0.00 1.18 0.00 0.00 52.55 53.27 3dll s ASP 18 Cb -0.02 -1.26 -0.05 0.00 -0.34 0.00 0.00 42.92 41.25 3dll s ASP 18 CO 0.01 0.08 0.70 -0.69 0.68 0.00 0.00 175.17 175.94 3dll s VAL 19 N -1.75 4.88 0.27 2.11 1.01 -1.26 -1.42 120.40 124.23 3dll s VAL 19 Ca 0.29 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.68 3dll s VAL 19 Cb -0.10 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3dll s VAL 19 CO 0.21 0.35 0.37 0.27 0.00 0.00 0.00 175.10 176.30 3dll s ILE 20 N 0.16 0.00 0.85 2.22 -5.25 -1.18 -4.96 121.20 113.04 3dll s ILE 20 Ca 0.36 -1.65 -0.16 0.00 -0.99 0.00 0.00 60.65 58.21 3dll s ILE 20 Cb -0.19 -2.43 -0.06 0.00 2.95 0.00 0.00 42.46 42.72 3dll s ILE 20 CO 0.20 0.00 0.00 0.54 -1.79 0.00 0.00 174.94 173.89 3dll n ARG 21 N -0.42 -0.00 -1.57 0.37 5.12 -1.26 0.27 116.66 119.17 3dll n ARG 21 Ca 0.01 0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 3dll n ARG 21 Cb 0.63 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.45 3dll n ARG 21 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3dll n VAL 22 N -2.68 2.25 -3.68 1.55 0.31 -1.26 -3.50 118.33 111.32 3dll n VAL 22 Ca 0.05 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.61 3dll n VAL 22 Cb 0.53 -0.96 -0.11 0.00 -0.91 0.00 0.00 33.84 32.39 3dll n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dll n GLU 23 N 0.31 1.57 0.00 5.55 -0.58 -1.26 -4.90 120.64 121.33 3dll n GLU 23 Ca 0.10 -4.19 0.00 0.00 -0.42 0.00 0.00 57.16 52.65 3dll n GLU 23 Cb 0.38 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 3dll n GLU 23 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3dll n SER 24 N 1.91 0.00 -4.58 1.62 2.88 -1.26 -1.77 113.62 112.42 3dll n SER 24 Ca 0.24 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.43 3dll n SER 24 Cb 0.40 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 3dll n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3dll s LEU 25 N -5.89 3.41 0.00 2.46 1.43 -1.26 -4.88 118.68 113.95 3dll s LEU 25 Ca 0.00 -1.89 0.00 0.00 -1.03 0.00 0.00 54.13 51.21 3dll s LEU 25 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3dll s LEU 25 CO 0.00 -2.18 0.00 1.67 0.23 0.00 0.00 176.35 176.07 3dll n GLN 26 N 8.41 1.54 -0.23 1.70 7.27 -0.73 -4.92 117.38 130.43 3dll n GLN 26 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3dll n GLN 26 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 3dll n GLN 26 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dll n GLY 27 N 1.66 -0.14 3.65 1.69 0.00 -1.26 -4.57 105.19 106.23 3dll n GLY 27 Ca 0.00 -0.96 -0.47 0.00 0.00 0.00 0.00 46.02 44.60 3dll n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dll n GLU 28 N 2.19 2.23 0.00 1.61 1.02 -1.25 -0.82 120.64 125.62 3dll n GLU 28 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 3dll n GLU 28 Cb 0.00 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.64 3dll n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dll n ALA 29 N 7.68 0.00 -0.99 0.62 0.00 0.04 -4.92 120.51 122.94 3dll n ALA 29 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 3dll n ALA 29 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 3dll n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 30 N -1.05 -1.22 3.45 0.00 0.00 0.00 -4.14 105.19 102.23 3dll n GLY 30 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3dll n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 31 N -0.70 6.00 -0.00 1.61 1.01 -1.26 -1.64 116.67 121.69 3dll s ASP 31 Ca 0.45 -0.87 -0.04 0.00 0.71 0.00 0.00 52.55 52.80 3dll s ASP 31 Cb -0.66 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 3dll s ASP 31 CO 0.39 -0.41 0.21 -0.54 0.21 0.00 0.00 175.17 175.04 3dll s LYS 32 N 1.65 3.49 -0.06 8.23 -0.14 -0.13 -4.87 119.74 127.91 3dll s LYS 32 Ca 0.04 -0.24 0.01 0.00 -1.36 0.00 0.00 55.97 54.42 3dll s LYS 32 Cb -0.19 -3.09 0.02 0.00 -1.68 0.00 0.00 37.83 32.90 3dll s LYS 32 CO 0.09 0.67 -0.05 0.14 -0.76 0.00 0.00 175.35 175.44 3dll s VAL 33 N -1.32 0.62 0.48 3.17 -7.23 -1.26 -0.66 120.40 114.21 3dll s VAL 33 Ca 0.27 -0.13 0.07 0.00 -1.81 0.00 0.00 61.98 60.38 3dll s VAL 33 Cb -0.13 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.16 3dll s VAL 33 CO 0.18 0.26 0.42 -1.61 -0.31 0.00 0.00 175.10 174.04 3dll s GLU 34 N 1.20 2.38 0.00 4.82 0.41 -1.18 -4.95 118.70 121.38 3dll s GLU 34 Ca -0.06 -1.76 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 3dll s GLU 34 Cb -0.14 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 3dll s GLU 34 CO -0.02 -0.43 0.00 -0.11 -0.49 0.00 0.00 175.26 174.22 3dll n LEU 35 N -1.69 0.00 0.00 1.80 0.00 -1.26 -2.96 117.00 112.89 3dll n LEU 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.03 3dll n LEU 35 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.05 3dll n LEU 35 CO 0.41 0.00 0.00 0.29 0.00 0.00 0.00 177.39 178.09 3dll n LYS 36 N 0.00 0.00 0.01 1.96 5.02 -1.26 -3.28 118.16 120.61 3dll n LYS 36 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3dll n LYS 36 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 3dll n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dll n ALA 37 N 0.00 3.67 -3.63 7.82 0.00 -1.26 -1.74 120.51 125.36 3dll n ALA 37 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 3dll n ALA 37 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3dll n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dll s LEU 38 N -3.45 -0.12 0.00 0.00 1.98 -1.26 -4.41 118.68 111.43 3dll s LEU 38 Ca 0.07 0.15 0.00 0.00 -2.89 0.00 0.00 54.13 51.46 3dll s LEU 38 Cb 0.16 1.26 0.00 0.00 0.66 0.00 0.00 46.19 48.27 3dll s LEU 38 CO 0.77 -0.09 0.00 2.22 -1.89 0.00 0.00 176.35 177.36 3dll n PHE 39 N 0.81 0.00 -0.96 5.38 1.16 -1.26 -3.01 117.46 119.58 3dll n PHE 39 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.31 3dll n PHE 39 Cb 0.58 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.52 3dll n PHE 39 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 3dll n VAL 40 N -0.34 3.00 -1.17 1.97 0.24 -1.25 -3.27 118.33 117.51 3dll n VAL 40 Ca 0.00 -1.99 -0.26 0.00 -2.04 0.00 0.00 64.34 60.05 3dll n VAL 40 Cb 0.00 -1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 31.09 3dll n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dll n GLY 41 N -0.24 -0.39 2.97 7.63 0.00 -1.25 0.39 105.19 114.30 3dll n GLY 41 Ca 0.43 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.86 3dll n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 42 N 4.78 -0.39 5.00 -0.02 0.00 -1.26 -3.32 105.19 109.99 3dll n GLY 42 Ca 0.52 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3dll n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dll n GLU 43 N -3.37 0.00 0.00 1.61 1.02 1.26 -4.94 120.64 116.22 3dll n GLU 43 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3dll n GLU 43 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 3dll n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3dll n GLN 44 N 0.00 0.00 -2.67 3.49 6.02 -1.21 -4.50 117.38 118.51 3dll n GLN 44 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3dll n GLN 44 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3dll n GLN 44 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3dll s THR 45 N 0.00 3.96 0.04 5.09 -4.23 -1.26 -3.78 115.64 115.45 3dll s THR 45 Ca 0.00 0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 3dll s THR 45 Cb 0.00 -4.82 -0.06 0.00 1.34 0.00 0.00 72.50 68.96 3dll s THR 45 CO 0.00 -1.68 0.60 -0.69 -0.54 0.00 0.00 174.62 172.32 3dll s VAL 46 N 5.08 4.80 0.14 2.29 1.01 -1.20 -5.07 120.40 127.45 3dll s VAL 46 Ca 0.31 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.59 3dll s VAL 46 Cb -0.11 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3dll s VAL 46 CO 0.14 0.48 -0.05 -0.36 0.00 0.00 0.00 175.10 175.30 3dll s PHE 47 N -0.60 1.10 0.13 5.22 0.40 -1.26 -4.49 117.98 118.48 3dll s PHE 47 Ca 0.31 -0.90 -0.04 0.00 -0.60 0.00 0.00 56.93 55.69 3dll s PHE 47 Cb -0.19 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 3dll s PHE 47 CO 0.19 -0.10 -0.04 0.41 0.70 0.00 0.00 175.22 176.37 3dll n GLY 48 N -0.15 -0.81 3.15 4.36 0.00 -1.26 -1.80 105.19 108.68 3dll n GLY 48 Ca -0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3dll n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dll n GLU 49 N 0.38 -0.96 0.00 1.61 1.02 -1.26 -4.27 120.64 117.16 3dll n GLU 49 Ca 0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3dll n GLU 49 Cb 0.12 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3dll n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dll n ASP 50 N -0.91 0.00 -0.18 1.62 2.03 -0.75 -4.80 116.55 113.56 3dll n ASP 50 Ca -0.10 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.28 3dll n ASP 50 Cb 0.27 0.09 0.36 0.00 -0.72 0.00 0.00 41.12 41.12 3dll n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dll h ALA 51 N 0.00 1.73 0.00 -1.67 0.00 -1.56 0.32 119.26 118.08 3dll h ALA 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dll h ALA 51 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dll h ALA 51 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 3dll n GLY 52 N -1.45 1.20 0.94 0.00 0.00 -0.71 -1.92 105.19 103.25 3dll n GLY 52 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3dll n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dll n LYS 53 N 0.33 2.16 -4.20 1.61 5.02 0.11 -4.92 118.16 118.27 3dll n LYS 53 Ca 0.00 -1.95 -0.12 0.00 -2.02 0.00 0.00 58.31 54.22 3dll n LYS 53 Cb 0.24 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 3dll n LYS 53 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dll s TYR 54 N -1.64 1.05 -0.08 2.13 1.51 -0.81 -5.14 117.35 114.37 3dll s TYR 54 Ca 0.29 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.17 3dll s TYR 54 Cb 0.19 -0.60 0.04 0.00 -0.11 0.00 0.00 41.96 41.48 3dll s TYR 54 CO 0.28 -0.38 0.19 0.95 -1.11 0.00 0.00 175.55 175.48 3dll s THR 55 N -3.86 -0.04 0.89 -0.71 -4.23 -1.26 -4.48 115.64 101.95 3dll s THR 55 Ca 0.25 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 3dll s THR 55 Cb 0.07 -0.29 0.17 0.00 1.34 0.00 0.00 72.50 73.79 3dll s THR 55 CO 0.03 0.05 1.23 0.68 -0.54 0.00 0.00 174.62 176.08 3dll s VAL 56 N 0.97 2.04 0.37 2.29 -7.23 -1.16 -2.77 120.40 114.91 3dll s VAL 56 Ca -0.07 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 59.83 3dll s VAL 56 Cb -0.09 -2.89 0.04 0.00 0.56 0.00 0.00 36.38 34.00 3dll s VAL 56 CO -0.06 0.00 0.70 -1.10 -0.31 0.00 0.00 175.10 174.33 3dll s GLN 57 N -5.68 2.14 0.00 4.82 -0.21 -0.14 -3.07 119.66 117.51 3dll s GLN 57 Ca 0.71 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 54.57 3dll s GLN 57 Cb -0.05 0.57 0.00 0.00 1.00 0.00 0.00 33.01 34.54 3dll s GLN 57 CO 0.51 -0.97 0.00 0.00 -2.12 0.00 0.00 175.29 172.70 3dll n ALA 58 N -0.54 0.00 -2.85 6.09 0.00 0.16 -0.74 120.51 122.64 3dll n ALA 58 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 3dll n ALA 58 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 3dll n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dll s GLU 59 N -2.00 3.33 -0.91 0.00 2.02 -1.00 -0.95 118.70 119.18 3dll s GLU 59 Ca 0.00 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 3dll s GLU 59 Cb 0.00 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 3dll s GLU 59 CO 0.00 0.73 1.95 0.08 0.02 0.00 0.00 175.26 178.04 3dll s VAL 60 N -1.11 3.45 0.04 2.63 1.01 -0.65 -0.44 120.40 125.33 3dll s VAL 60 Ca 0.19 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 3dll s VAL 60 Cb -0.12 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3dll s VAL 60 CO 0.09 -0.94 1.24 0.58 0.00 0.00 0.00 175.10 176.07 3dll h VAL 61 N 7.21 0.00 -3.39 2.92 2.07 -0.83 0.14 116.25 124.36 3dll h VAL 61 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 3dll h VAL 61 Cb 1.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3dll h VAL 61 CO 1.21 0.00 0.11 -0.70 0.02 0.00 0.00 177.57 178.21 3dll s GLU 62 N -4.22 2.10 0.34 1.57 2.12 -1.21 -4.56 118.70 114.84 3dll s GLU 62 Ca -0.07 -1.53 0.05 0.00 0.36 0.00 0.00 54.97 53.78 3dll s GLU 62 Cb 0.02 0.56 -0.07 0.00 0.26 0.00 0.00 34.13 34.91 3dll s GLU 62 CO 0.26 -0.95 0.03 -1.01 -0.54 0.00 0.00 175.26 173.06 3dll s HIS 63 N -2.65 2.09 0.00 5.30 3.76 -1.26 -1.47 115.29 121.06 3dll s HIS 63 Ca 0.20 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 3dll s HIS 63 Cb -0.03 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.28 3dll s HIS 63 CO 0.14 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.58 3dll n GLY 64 N -0.74 -0.66 3.31 -2.22 0.00 -0.95 -4.96 105.19 98.98 3dll n GLY 64 Ca -0.03 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3dll n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dll s ARG 65 N -2.00 3.33 0.92 1.61 0.52 -1.26 -1.08 118.95 121.00 3dll s ARG 65 Ca 0.00 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 3dll s ARG 65 Cb 0.00 -3.05 0.12 0.00 0.52 0.00 0.00 34.95 32.54 3dll s ARG 65 CO 0.00 -0.23 0.95 0.41 0.02 0.00 0.00 175.30 176.45 3dll n GLY 66 N 4.80 -0.80 3.69 -3.53 0.00 -0.73 -4.84 105.19 103.78 3dll n GLY 66 Ca -0.18 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 3dll n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dll n LYS 67 N -3.56 2.18 -1.57 1.61 4.81 -1.26 -4.37 118.16 116.00 3dll n LYS 67 Ca 0.11 0.77 -0.48 0.00 -0.87 0.00 0.00 58.31 57.84 3dll n LYS 67 Cb 0.52 -2.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.10 3dll n LYS 67 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3dll n LYS 68 N 1.76 1.16 -4.39 1.64 3.00 -1.26 -4.85 118.16 115.21 3dll n LYS 68 Ca 0.10 0.41 -0.23 0.00 -0.00 0.00 0.00 58.31 58.59 3dll n LYS 68 Cb 0.33 -1.87 -0.11 0.00 0.00 0.00 0.00 35.03 33.38 3dll n LYS 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3dll s ILE 69 N -0.39 2.11 0.14 3.15 -1.09 -0.14 -4.97 121.20 120.02 3dll s ILE 69 Ca 0.70 -2.11 0.10 0.00 -2.23 0.00 0.00 60.65 57.11 3dll s ILE 69 Cb -0.82 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3dll s ILE 69 CO 0.54 -0.32 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.41 3dll s TYR 70 N -2.20 2.44 -0.20 3.97 1.51 -1.26 0.46 117.35 122.08 3dll s TYR 70 Ca 0.22 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3dll s TYR 70 Cb -0.05 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3dll s TYR 70 CO 0.10 0.41 0.03 0.42 -1.11 0.00 0.00 175.55 175.40 3dll s ILE 71 N -1.30 4.31 0.00 2.71 1.01 2.01 -4.85 121.20 125.10 3dll s ILE 71 Ca 0.18 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.71 3dll s ILE 71 Cb -0.10 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3dll s ILE 71 CO 0.10 0.42 -0.23 -0.13 0.00 0.00 0.00 174.94 175.10 3dll s ARG 72 N 0.88 1.72 0.03 2.79 0.52 -1.26 0.00 118.95 123.63 3dll s ARG 72 Ca 0.02 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3dll s ARG 72 Cb -0.14 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 3dll s ARG 72 CO 0.02 0.47 -0.07 0.15 0.02 0.00 0.00 175.30 175.89 3dll s LYS 73 N -0.77 0.48 -0.02 3.54 1.02 -1.06 -4.96 119.74 117.98 3dll s LYS 73 Ca 0.09 -0.61 -0.07 0.00 0.02 0.00 0.00 55.97 55.40 3dll s LYS 73 Cb -0.09 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.94 3dll s LYS 73 CO 0.00 0.06 0.15 -0.47 -0.92 0.00 0.00 175.35 174.17 3dll s TYR 74 N -1.08 -0.04 -0.04 3.18 5.04 -1.26 -2.19 117.35 120.95 3dll s TYR 74 Ca -0.07 0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 3dll s TYR 74 Cb -0.08 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.24 3dll s TYR 74 CO 0.00 -0.21 0.15 0.15 -1.34 0.00 0.00 175.55 174.30 3dll s LYS 75 N -0.82 0.23 -0.01 4.97 1.02 -0.68 -5.01 119.74 119.44 3dll s LYS 75 Ca -0.09 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 3dll s LYS 75 Cb -0.05 0.11 -0.07 0.00 -0.52 0.00 0.00 37.83 37.29 3dll s LYS 75 CO 0.01 -0.04 1.83 -1.54 -0.92 0.00 0.00 175.35 174.69 3dll s SER 76 N -0.20 6.53 0.00 2.83 1.04 -1.26 -4.14 113.70 118.49 3dll s SER 76 Ca -0.03 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.85 3dll s SER 76 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3dll s SER 76 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3dll n GLY 77 N 4.39 0.00 2.20 7.32 0.00 -1.26 -4.55 105.19 113.28 3dll n GLY 77 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3dll n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dll n VAL 78 N -0.46 3.30 -2.99 1.61 3.14 -1.26 -5.03 118.33 116.65 3dll n VAL 78 Ca 0.00 -2.34 0.00 0.00 -2.96 0.00 0.00 64.34 59.04 3dll n VAL 78 Cb 0.00 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 3dll n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dll n GLN 79 N -0.81 0.00 0.00 1.45 1.13 -1.26 -4.98 117.38 112.91 3dll n GLN 79 Ca 0.56 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.62 3dll n GLN 79 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.34 3dll n GLN 79 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3dll n TYR 80 N -1.11 0.00 -3.74 1.08 4.19 -1.26 -4.39 117.16 111.93 3dll n TYR 80 Ca 0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.07 3dll n TYR 80 Cb 0.00 0.00 -0.15 0.00 0.49 0.00 0.00 39.34 39.68 3dll n TYR 80 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3dll s ARG 81 N -0.38 0.06 0.16 2.98 0.52 -1.26 -1.69 118.95 119.34 3dll s ARG 81 Ca 0.00 0.36 0.11 0.00 -0.52 0.00 0.00 55.73 55.68 3dll s ARG 81 Cb 0.00 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 3dll s ARG 81 CO 0.00 -0.18 -0.25 1.03 0.02 0.00 0.00 175.30 175.91 3dll s ARG 82 N 1.28 1.44 -0.22 3.54 1.81 -0.93 -4.96 118.95 120.91 3dll s ARG 82 Ca -0.08 -1.42 -0.04 0.00 -1.72 0.00 0.00 55.73 52.48 3dll s ARG 82 Cb -0.12 -1.85 0.10 0.00 -0.45 0.00 0.00 34.95 32.62 3dll s ARG 82 CO -0.05 0.42 0.20 0.50 -0.68 0.00 0.00 175.30 175.69 3dll s ARG 83 N -2.32 0.19 -0.08 3.54 6.06 -1.25 -2.56 118.95 122.53 3dll s ARG 83 Ca 0.17 0.05 -0.01 0.00 -2.50 0.00 0.00 55.73 53.43 3dll s ARG 83 Cb -0.09 -1.22 0.03 0.00 0.06 0.00 0.00 34.95 33.73 3dll s ARG 83 CO 0.08 -0.74 -0.01 0.95 -2.50 0.00 0.00 175.30 173.07 3dll s THR 84 N 2.28 0.50 0.39 4.11 -4.23 0.10 -4.93 115.64 113.86 3dll s THR 84 Ca 0.07 0.04 -0.23 0.00 -1.18 0.00 0.00 61.69 60.39 3dll s THR 84 Cb -0.16 -0.63 -0.10 0.00 1.34 0.00 0.00 72.50 72.96 3dll s THR 84 CO -0.17 0.28 0.97 -0.83 -0.54 0.00 0.00 174.62 174.33 3dll s GLY 85 N 1.90 2.61 -0.15 3.99 0.00 -1.26 0.52 107.32 114.93 3dll s GLY 85 Ca 0.05 0.51 -0.10 0.00 0.00 0.00 0.00 44.72 45.18 3dll s GLY 85 CO -0.06 0.88 0.37 -1.58 0.00 0.00 0.00 173.10 172.71 3dll s HIS 86 N -1.87 -0.48 -0.03 1.90 5.04 0.17 -4.80 115.29 115.22 3dll s HIS 86 Ca 0.57 1.09 0.03 0.00 -1.54 0.00 0.00 55.06 55.21 3dll s HIS 86 Cb -0.15 0.18 0.00 0.00 0.04 0.00 0.00 32.58 32.65 3dll s HIS 86 CO 0.20 -0.27 -0.12 1.03 -2.34 0.00 0.00 174.74 173.24 3dll s ARG 87 N 0.91 1.26 -0.12 2.88 0.52 -1.26 -0.97 118.95 122.17 3dll s ARG 87 Ca -0.06 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3dll s ARG 87 Cb -0.06 -1.14 0.01 0.00 0.52 0.00 0.00 34.95 34.28 3dll s ARG 87 CO -0.07 0.16 -0.21 -1.14 0.02 0.00 0.00 175.30 174.06 3dll s GLN 88 N 0.15 2.84 1.26 3.54 0.74 -1.26 -4.91 119.66 122.02 3dll s GLN 88 Ca -0.04 -0.80 -0.17 0.00 0.05 0.00 0.00 55.36 54.41 3dll s GLN 88 Cb -0.10 -2.25 0.31 0.00 1.10 0.00 0.00 33.01 32.07 3dll s GLN 88 CO 0.01 0.05 1.00 -0.80 -0.55 0.00 0.00 175.29 175.00 3dll s ASN 89 N 0.66 0.27 0.12 6.67 0.01 -1.25 -1.77 114.94 119.66 3dll s ASN 89 Ca -0.12 1.17 -0.25 0.00 -0.71 0.00 0.00 52.86 52.95 3dll s ASN 89 Cb -0.16 -1.76 0.08 0.00 0.41 0.00 0.00 41.25 39.81 3dll s ASN 89 CO 0.02 -4.59 1.07 0.72 -1.51 0.00 0.00 177.10 172.81 3dll s PHE 90 N -2.47 -0.04 -0.36 2.20 -0.12 -0.24 -4.64 117.98 112.32 3dll s PHE 90 Ca 0.68 -0.25 -0.00 0.00 -0.05 0.00 0.00 56.93 57.32 3dll s PHE 90 Cb -0.19 0.64 0.12 0.00 -0.63 0.00 0.00 43.02 42.96 3dll s PHE 90 CO 0.61 -0.72 0.18 0.99 -0.05 0.00 0.00 175.22 176.23 3dll s THR 91 N -2.71 0.61 0.06 -4.49 2.01 0.75 -2.23 115.64 109.63 3dll s THR 91 Ca 0.16 -1.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.13 3dll s THR 91 Cb -0.00 -1.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.97 3dll s THR 91 CO 0.02 -0.86 1.77 0.00 -0.69 0.00 0.00 174.62 174.85 3dll s ALA 92 N 1.14 3.68 -0.16 7.40 0.00 -0.54 -3.10 121.76 130.18 3dll s ALA 92 Ca 0.15 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.38 3dll s ALA 92 Cb -0.21 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.16 3dll s ALA 92 CO -0.10 -1.27 -0.19 0.96 0.00 0.00 0.00 175.76 175.16 3dll s ILE 93 N 3.23 2.30 -0.68 0.00 -4.36 -0.51 -0.13 121.20 121.06 3dll s ILE 93 Ca 0.79 -0.89 -0.27 0.00 -0.26 0.00 0.00 60.65 60.02 3dll s ILE 93 Cb -0.41 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3dll s ILE 93 CO 0.35 0.53 1.53 -0.75 0.24 0.00 0.00 174.94 176.84 3dll s LYS 94 N 0.96 2.95 0.31 0.37 2.20 0.41 -1.69 119.74 125.25 3dll s LYS 94 Ca -0.03 0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.43 3dll s LYS 94 Cb -0.15 -4.27 -0.13 0.00 -1.51 0.00 0.00 37.83 31.77 3dll s LYS 94 CO -0.04 -2.39 1.14 -0.89 -0.36 0.00 0.00 175.35 172.81 3dll n ILE 95 N 6.74 1.95 0.00 5.43 2.08 -1.26 -2.38 119.36 131.93 3dll n ILE 95 Ca 0.11 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.93 3dll n ILE 95 Cb 0.50 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.15 3dll n ILE 95 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3dll n LEU 96 N 1.07 0.00 0.00 1.39 7.94 0.08 -4.11 117.00 123.37 3dll n LEU 96 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3dll n LEU 96 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 3dll n LEU 96 CO 0.61 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.50 3dll n GLY 97 N 0.00 5.38 0.00 -3.96 0.00 -1.13 -0.97 105.19 104.51 3dll n GLY 97 Ca 0.00 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.31 3dll n GLY 97 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71