#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcr n SER 2 N 0.00 2.97 -0.03 1.61 7.64 -1.26 -4.79 113.62 119.76 2dcr n SER 2 Ca 0.00 -0.01 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 2dcr n SER 2 Cb 0.00 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 61.61 2dcr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dcr n SER 3 N 12.99 1.36 0.00 6.43 2.88 -1.26 -4.49 113.62 131.53 2dcr n SER 3 Ca 0.32 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2dcr n SER 3 Cb 0.48 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2dcr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dcr n GLY 4 N 2.38 1.22 2.55 0.46 0.00 -1.26 -4.85 105.19 105.70 2dcr n GLY 4 Ca -0.13 0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2dcr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dcr n SER 5 N 8.84 -4.31 -0.20 1.61 7.64 -1.26 -4.88 113.62 121.07 2dcr n SER 5 Ca 0.00 0.09 0.08 0.00 1.01 0.00 0.00 58.87 60.04 2dcr n SER 5 Cb 0.00 -3.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.53 2dcr n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dcr n SER 6 N -1.92 1.23 0.00 6.43 7.64 -1.26 -5.02 113.62 120.71 2dcr n SER 6 Ca -0.15 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2dcr n SER 6 Cb 0.62 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 2dcr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 7 N 1.27 2.85 0.00 0.23 0.00 -1.26 -5.09 105.19 103.18 2dcr n GLY 7 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2dcr n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dcr n GLU 8 N 0.00 0.19 -0.06 1.61 4.71 -1.26 -4.90 120.64 120.93 2dcr n GLU 8 Ca 0.00 -0.48 -0.09 0.00 -0.01 0.00 0.00 57.16 56.58 2dcr n GLU 8 Cb 0.00 -0.73 -0.03 0.00 -1.01 0.00 0.00 31.44 29.68 2dcr n GLU 8 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dcr h VAL 9 N 0.94 0.27 0.00 2.62 2.07 -1.98 -1.58 116.25 118.59 2dcr h VAL 9 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dcr h VAL 9 Cb 0.45 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2dcr h VAL 9 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2dcr n GLN 10 N -5.41 0.42 -1.02 1.57 1.13 -1.26 -4.19 117.38 108.63 2dcr n GLN 10 Ca -0.01 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 2dcr n GLN 10 Cb 0.33 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 29.31 2dcr n GLN 10 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dcr s LYS 11 N -2.57 1.51 0.95 -1.09 1.02 -0.59 -5.03 119.74 113.93 2dcr s LYS 11 Ca 0.28 1.23 -0.11 0.00 0.02 0.00 0.00 55.97 57.40 2dcr s LYS 11 Cb 0.20 -1.81 0.16 0.00 -0.52 0.00 0.00 37.83 35.87 2dcr s LYS 11 CO 0.46 -2.19 1.11 -1.25 -0.92 0.00 0.00 175.35 172.56 2dcr s PRO 12 N -4.80 0.76 0.37 -1.68 0.04 -1.26 -4.91 135.00 123.53 2dcr s PRO 12 Ca 0.64 1.29 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2dcr s PRO 12 Cb -0.20 -1.72 0.80 0.00 0.04 0.00 0.00 34.50 33.43 2dcr s PRO 12 CO 0.57 -2.72 1.93 1.25 0.04 0.00 0.00 177.00 178.07 2dcr h LEU 13 N -1.92 0.62 0.00 -3.56 6.46 -1.95 -2.52 115.31 112.44 2dcr h LEU 13 Ca -0.48 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2dcr h LEU 13 Cb 1.28 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2dcr h LEU 13 CO 0.46 0.38 0.00 0.00 -0.62 0.00 0.00 178.44 178.65 2dcr n HIS 14 N -4.50 0.00 -1.46 1.25 1.44 -1.26 -2.33 115.22 108.36 2dcr n HIS 14 Ca 0.13 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.86 2dcr n HIS 14 Cb 0.32 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.46 2dcr n HIS 14 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2dcr n GLU 15 N -0.74 0.52 -1.40 -1.40 1.02 -0.95 -4.81 120.64 112.88 2dcr n GLU 15 Ca 0.08 -1.31 -0.29 0.00 -0.02 0.00 0.00 57.16 55.62 2dcr n GLU 15 Cb 0.04 -0.77 0.19 0.00 -0.02 0.00 0.00 31.44 30.88 2dcr n GLU 15 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2dcr s GLN 16 N -0.73 0.09 -0.19 3.49 -1.52 -0.98 -4.93 119.66 114.88 2dcr s GLN 16 Ca 0.07 0.05 -0.07 0.00 -1.95 0.00 0.00 55.36 53.46 2dcr s GLN 16 Cb 0.06 -1.74 -0.09 0.00 -0.22 0.00 0.00 33.01 31.03 2dcr s GLN 16 CO 0.01 -2.86 -0.22 1.47 -0.25 0.00 0.00 175.29 173.43 2dcr n LEU 17 N -4.18 1.70 0.00 2.90 -0.00 -1.26 -4.42 117.00 111.74 2dcr n LEU 17 Ca 0.10 0.16 0.07 0.00 -0.00 0.00 0.00 56.01 56.34 2dcr n LEU 17 Cb 0.59 -0.57 0.35 0.00 -0.00 0.00 0.00 43.42 43.79 2dcr n LEU 17 CO 0.51 0.48 0.71 -2.67 -0.00 0.00 0.00 177.39 176.42 2dcr n TRP 18 N -3.66 0.00 -2.62 1.47 4.27 -1.21 -0.37 117.44 115.32 2dcr n TRP 18 Ca -0.36 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 52.83 2dcr n TRP 18 Cb 0.78 -0.37 -0.03 0.00 -1.36 0.00 0.00 31.31 30.34 2dcr n TRP 18 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2dcr s TYR 19 N -2.74 2.64 -2.33 -2.67 5.04 -1.26 -0.48 117.35 115.55 2dcr s TYR 19 Ca 0.11 0.36 0.21 0.00 -2.44 0.00 0.00 57.07 55.32 2dcr s TYR 19 Cb 0.10 -4.45 0.31 0.00 0.35 0.00 0.00 41.96 38.27 2dcr s TYR 19 CO 0.24 -1.55 1.28 0.72 -1.34 0.00 0.00 175.55 174.91 2dcr n HIS 20 N 8.29 0.31 -3.77 4.97 8.25 -0.58 -4.70 115.22 128.00 2dcr n HIS 20 Ca 0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2dcr n HIS 20 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2dcr n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dcr n GLY 21 N 1.27 -1.69 3.31 -1.41 0.00 -1.26 -4.49 105.19 100.93 2dcr n GLY 21 Ca 0.16 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2dcr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcr n ALA 22 N 1.34 3.46 -2.66 4.61 0.00 -1.26 -2.20 120.51 123.80 2dcr n ALA 22 Ca 0.00 -3.53 -0.36 0.00 0.00 0.00 0.00 53.44 49.55 2dcr n ALA 22 Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 2dcr n ALA 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2dcr s ILE 23 N 5.99 5.20 0.84 0.00 2.07 -1.26 -4.84 121.20 129.19 2dcr s ILE 23 Ca 0.57 0.42 -0.11 0.00 -1.41 0.00 0.00 60.65 60.11 2dcr s ILE 23 Cb 0.07 -3.60 0.09 0.00 0.13 0.00 0.00 42.46 39.15 2dcr s ILE 23 CO 0.07 0.42 1.09 -2.16 -1.91 0.00 0.00 174.94 172.45 2dcr s PRO 24 N -1.56 1.76 0.52 3.50 0.04 -1.26 -4.36 135.00 133.64 2dcr s PRO 24 Ca 0.27 0.79 0.27 0.00 0.04 0.00 0.00 61.00 62.37 2dcr s PRO 24 Cb -0.14 -1.87 1.42 0.00 0.04 0.00 0.00 34.50 33.95 2dcr s PRO 24 CO 0.15 -1.88 2.06 0.07 0.04 0.00 0.00 177.00 177.44 2dcr h ARG 25 N -1.29 0.00 -0.35 4.56 0.11 -1.99 -2.93 114.38 112.49 2dcr h ARG 25 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.56 2dcr h ARG 25 Cb 1.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2dcr h ARG 25 CO 0.56 0.12 0.03 0.00 0.10 0.00 0.00 179.97 180.79 2dcr h ALA 26 N 1.88 0.47 0.00 0.08 0.00 -2.02 -3.26 119.26 116.41 2dcr h ALA 26 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2dcr h ALA 26 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2dcr h ALA 26 CO 0.02 0.20 -0.36 0.93 0.00 0.00 0.00 179.25 180.03 2dcr h GLU 27 N 0.42 0.00 -0.36 0.00 4.39 -1.90 -3.27 114.58 113.86 2dcr h GLU 27 Ca 0.10 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2dcr h GLU 27 Cb 0.40 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 2dcr h GLU 27 CO 0.01 0.36 -0.40 0.28 -1.16 0.00 0.00 179.01 178.10 2dcr h VAL 28 N 0.00 0.00 0.00 3.13 2.07 -1.61 -2.07 116.25 117.77 2dcr h VAL 28 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dcr h VAL 28 Cb 0.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2dcr h VAL 28 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 2dcr h ALA 29 N -0.32 1.00 0.00 1.67 0.00 -1.76 0.15 119.26 120.00 2dcr h ALA 29 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2dcr h ALA 29 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dcr h ALA 29 CO -0.47 0.00 -0.44 1.49 0.00 0.00 0.00 179.25 179.84 2dcr h GLU 30 N 0.00 0.00 0.09 0.00 4.57 -1.56 -3.34 114.58 114.34 2dcr h GLU 30 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 2dcr h GLU 30 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2dcr h GLU 30 CO 0.00 0.44 -1.87 1.28 -1.18 0.00 0.00 179.01 177.67 2dcr n LEU 31 N -3.56 2.47 -4.74 1.64 4.77 0.43 -4.90 117.00 113.12 2dcr n LEU 31 Ca -0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 2dcr n LEU 31 Cb 0.55 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2dcr n LEU 31 CO 0.38 0.73 0.64 -0.76 -1.33 0.00 0.00 177.39 177.05 2dcr s LEU 32 N -7.21 4.55 0.00 2.23 1.43 -0.56 -4.95 118.68 114.17 2dcr s LEU 32 Ca -0.25 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2dcr s LEU 32 Cb 0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2dcr s LEU 32 CO 0.72 0.02 0.00 0.52 0.23 0.00 0.00 176.35 177.84 2dcr n VAL 33 N 2.34 0.00 -4.57 -1.59 0.31 -1.26 -4.79 118.33 108.77 2dcr n VAL 33 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2dcr n VAL 33 Cb 0.49 -0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 33.00 2dcr n VAL 33 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dcr s HIS 34 N -1.36 2.52 -0.20 3.52 3.76 -1.26 -5.07 115.29 117.21 2dcr s HIS 34 Ca 0.00 -0.28 -0.33 0.00 -0.15 0.00 0.00 55.06 54.31 2dcr s HIS 34 Cb 0.00 -1.42 -0.10 0.00 1.11 0.00 0.00 32.58 32.18 2dcr s HIS 34 CO 0.00 0.28 2.06 -1.13 -0.85 0.00 0.00 174.74 175.11 2dcr n SER 35 N 1.33 3.04 0.00 1.40 3.41 -1.26 -1.45 113.62 120.10 2dcr n SER 35 Ca -0.16 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2dcr n SER 35 Cb 0.52 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2dcr n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dcr n GLY 36 N 5.39 1.77 3.69 5.00 0.00 -0.27 -4.89 105.19 115.88 2dcr n GLY 36 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 2dcr n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dcr n ASP 37 N 0.00 3.99 -4.32 1.61 8.00 -0.53 -0.83 116.55 124.48 2dcr n ASP 37 Ca 0.00 1.00 -0.17 0.00 0.71 0.00 0.00 54.79 56.33 2dcr n ASP 37 Cb 0.00 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.46 2dcr n ASP 37 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2dcr s PHE 38 N 2.41 1.59 0.10 1.24 -0.12 0.26 -1.39 117.98 122.06 2dcr s PHE 38 Ca 0.81 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 57.00 2dcr s PHE 38 Cb -0.50 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 2dcr s PHE 38 CO 0.37 0.25 0.09 -0.48 -0.05 0.00 0.00 175.22 175.40 2dcr s LEU 39 N -3.28 1.85 -0.20 -1.99 0.05 -0.32 -1.87 118.68 112.92 2dcr s LEU 39 Ca 0.22 -0.95 -0.05 0.00 0.05 0.00 0.00 54.13 53.39 2dcr s LEU 39 Cb 0.01 0.56 -0.02 0.00 -2.05 0.00 0.00 46.19 44.68 2dcr s LEU 39 CO 0.05 -0.70 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.45 2dcr s VAL 40 N -3.95 3.88 0.46 1.48 1.01 0.37 -1.48 120.40 122.17 2dcr s VAL 40 Ca 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2dcr s VAL 40 Cb 0.06 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2dcr s VAL 40 CO -0.06 0.44 0.07 -2.11 0.00 0.00 0.00 175.10 173.43 2dcr n ARG 41 N 4.19 0.70 -4.25 2.72 1.85 0.23 -1.52 116.66 120.58 2dcr n ARG 41 Ca -0.17 -3.55 -0.23 0.00 -1.00 0.00 0.00 57.85 52.90 2dcr n ARG 41 Cb 0.52 1.38 -0.07 0.00 -1.05 0.00 0.00 32.46 33.24 2dcr n ARG 41 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2dcr s GLU 42 N -3.69 2.33 0.47 2.89 2.12 -0.93 -0.12 118.70 121.77 2dcr s GLU 42 Ca 0.09 -1.45 -0.08 0.00 0.36 0.00 0.00 54.97 53.89 2dcr s GLU 42 Cb 0.00 -2.17 0.12 0.00 0.26 0.00 0.00 34.13 32.34 2dcr s GLU 42 CO 0.07 0.30 0.39 0.45 -0.54 0.00 0.00 175.26 175.92 2dcr n SER 43 N -0.97 -1.67 -4.47 -1.70 2.88 0.14 -4.44 113.62 103.38 2dcr n SER 43 Ca -0.06 -0.67 -0.44 0.00 -1.33 0.00 0.00 58.87 56.38 2dcr n SER 43 Cb 0.60 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2dcr n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dcr n GLN 44 N -2.87 3.33 0.00 -1.46 1.13 -1.26 -4.35 117.38 111.90 2dcr n GLN 44 Ca 0.06 -3.69 0.00 0.00 -1.94 0.00 0.00 57.00 51.42 2dcr n GLN 44 Cb 0.22 -3.15 0.00 0.00 0.11 0.00 0.00 30.24 27.42 2dcr n GLN 44 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dcr n GLY 45 N 4.37 2.85 3.78 1.08 0.00 -1.26 -5.00 105.19 111.01 2dcr n GLY 45 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 2dcr n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dcr s LYS 46 N 0.00 3.23 -0.86 1.61 3.01 -1.26 -4.94 119.74 120.53 2dcr s LYS 46 Ca 0.00 1.38 -0.05 0.00 -1.01 0.00 0.00 55.97 56.30 2dcr s LYS 46 Cb 0.00 -2.01 0.08 0.00 -1.01 0.00 0.00 37.83 34.89 2dcr s LYS 46 CO 0.00 -0.91 2.61 1.04 0.51 0.00 0.00 175.35 178.61 2dcr n GLN 47 N -1.83 3.43 -3.76 1.68 6.02 -1.26 -4.24 117.38 117.42 2dcr n GLN 47 Ca 0.10 -2.84 -0.15 0.00 -0.01 0.00 0.00 57.00 54.10 2dcr n GLN 47 Cb 0.52 -2.37 -0.16 0.00 1.02 0.00 0.00 30.24 29.25 2dcr n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dcr s GLU 48 N -1.37 -0.04 0.53 -1.09 2.12 -1.26 -5.07 118.70 112.52 2dcr s GLU 48 Ca 0.57 0.21 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 2dcr s GLU 48 Cb 0.29 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 2dcr s GLU 48 CO -0.16 -0.18 0.85 0.71 -0.54 0.00 0.00 175.26 175.94 2dcr s TYR 49 N 1.16 3.48 -0.05 5.30 2.02 -1.26 -0.69 117.35 127.32 2dcr s TYR 49 Ca -0.08 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 2dcr s TYR 49 Cb -0.13 -2.48 0.02 0.00 -0.40 0.00 0.00 41.96 38.98 2dcr s TYR 49 CO -0.03 -0.49 -0.02 0.08 -1.57 0.00 0.00 175.55 173.53 2dcr s VAL 50 N -2.87 0.39 0.17 0.71 1.01 0.83 -1.04 120.40 119.60 2dcr s VAL 50 Ca 0.50 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2dcr s VAL 50 Cb -0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 2dcr s VAL 50 CO 0.46 0.21 0.92 -0.22 0.00 0.00 0.00 175.10 176.47 2dcr s LEU 51 N 1.27 4.57 -0.03 3.92 2.96 0.98 -0.60 118.68 131.74 2dcr s LEU 51 Ca -0.06 1.82 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2dcr s LEU 51 Cb -0.13 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.04 2dcr s LEU 51 CO -0.02 0.06 0.06 -0.44 -1.32 0.00 0.00 176.35 174.69 2dcr s SER 52 N -0.62 0.13 -0.05 3.68 0.01 -0.55 -1.82 113.70 114.48 2dcr s SER 52 Ca 0.43 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.76 2dcr s SER 52 Cb -0.24 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2dcr s SER 52 CO 0.30 -0.15 0.12 0.54 0.41 0.00 0.00 173.24 174.46 2dcr s VAL 53 N 1.21 -0.02 -0.39 3.43 0.11 -1.16 -1.17 120.40 122.42 2dcr s VAL 53 Ca -0.08 0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 2dcr s VAL 53 Cb -0.13 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 2dcr s VAL 53 CO -0.04 0.02 0.90 -0.22 -3.33 0.00 0.00 175.10 172.44 2dcr s LEU 54 N 0.39 4.02 -0.29 2.54 2.96 -0.49 -0.36 118.68 127.45 2dcr s LEU 54 Ca -0.03 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2dcr s LEU 54 Cb -0.04 -3.21 0.09 0.00 0.50 0.00 0.00 46.19 43.53 2dcr s LEU 54 CO -0.02 -0.87 0.03 0.86 -1.32 0.00 0.00 176.35 175.03 2dcr s TRP 55 N 3.47 2.68 -1.31 5.38 -0.11 -0.33 -1.11 118.94 127.62 2dcr s TRP 55 Ca 0.37 -2.20 -0.03 0.00 1.22 0.00 0.00 56.10 55.45 2dcr s TRP 55 Cb -0.12 -2.10 0.01 0.00 -1.50 0.00 0.00 33.47 29.76 2dcr s TRP 55 CO 0.20 -0.87 0.93 -3.47 -4.62 0.00 0.00 176.95 169.12 2dcr n ASP 56 N 4.57 -2.81 0.00 5.86 2.03 -1.26 -2.07 116.55 122.87 2dcr n ASP 56 Ca -0.03 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2dcr n ASP 56 Cb 0.43 -4.58 0.00 0.00 -0.72 0.00 0.00 41.12 36.24 2dcr n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dcr n GLY 57 N -1.50 1.26 3.10 0.27 0.00 -1.26 -5.01 105.19 102.05 2dcr n GLY 57 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2dcr n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dcr s LEU 58 N 0.00 4.11 -0.80 0.99 1.98 -0.88 -5.05 118.68 119.03 2dcr s LEU 58 Ca 0.00 -1.60 -0.25 0.00 -2.89 0.00 0.00 54.13 49.38 2dcr s LEU 58 Cb 0.00 -1.66 -0.08 0.00 0.66 0.00 0.00 46.19 45.12 2dcr s LEU 58 CO 0.00 -0.30 2.12 -2.16 -1.89 0.00 0.00 176.35 174.12 2dcr s PRO 59 N 1.11 2.21 1.04 0.98 0.04 -1.26 -1.18 135.00 137.94 2dcr s PRO 59 Ca -0.01 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 2dcr s PRO 59 Cb -0.20 -4.86 0.22 0.00 0.04 0.00 0.00 34.50 29.69 2dcr s PRO 59 CO -0.04 -3.66 1.08 1.03 0.04 0.00 0.00 177.00 175.45 2dcr s ARG 60 N 7.73 0.02 -0.42 4.56 1.81 0.52 -4.81 118.95 128.35 2dcr s ARG 60 Ca 0.79 1.16 0.06 0.00 -1.72 0.00 0.00 55.73 56.02 2dcr s ARG 60 Cb -0.10 -1.64 0.21 0.00 -0.45 0.00 0.00 34.95 32.97 2dcr s ARG 60 CO 0.06 -3.19 0.50 -2.39 -0.68 0.00 0.00 175.30 169.61 2dcr n HIS 61 N -4.58 -1.28 -2.87 -0.53 1.44 -1.26 -3.00 115.22 103.14 2dcr n HIS 61 Ca 0.07 -3.04 -0.41 0.00 -2.01 0.00 0.00 57.72 52.33 2dcr n HIS 61 Cb 0.53 0.30 -0.04 0.00 0.12 0.00 0.00 29.99 30.90 2dcr n HIS 61 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2dcr s PHE 62 N -0.25 3.56 0.37 -1.40 0.08 -0.76 -4.93 117.98 114.64 2dcr s PHE 62 Ca 0.33 1.42 -0.28 0.00 0.12 0.00 0.00 56.93 58.52 2dcr s PHE 62 Cb 0.10 -2.99 -0.10 0.00 -0.57 0.00 0.00 43.02 39.46 2dcr s PHE 62 CO -0.16 -0.05 1.37 0.42 -0.10 0.00 0.00 175.22 176.70 2dcr s ILE 63 N 1.32 2.44 0.41 0.64 -1.09 -1.26 -0.01 121.20 123.64 2dcr s ILE 63 Ca 0.43 0.43 -0.26 0.00 -2.23 0.00 0.00 60.65 59.02 2dcr s ILE 63 Cb -0.18 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 2dcr s ILE 63 CO 0.20 0.10 1.33 -0.63 -1.23 0.00 0.00 174.94 174.70 2dcr s ILE 64 N -1.16 2.52 1.11 2.92 -1.09 -0.20 -4.69 121.20 120.60 2dcr s ILE 64 Ca 0.52 0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 2dcr s ILE 64 Cb -0.42 -3.28 0.25 0.00 -1.58 0.00 0.00 42.46 37.44 2dcr s ILE 64 CO 0.56 0.07 1.05 -1.10 -1.23 0.00 0.00 174.94 174.29 2dcr s GLN 65 N -2.26 -0.45 0.00 2.79 1.11 -1.26 -4.80 119.66 114.79 2dcr s GLN 65 Ca 0.57 0.85 0.00 0.00 0.01 0.00 0.00 55.36 56.79 2dcr s GLN 65 Cb -0.39 -1.61 0.00 0.00 -1.01 0.00 0.00 33.01 30.00 2dcr s GLN 65 CO 0.50 -3.42 0.00 0.45 0.01 0.00 0.00 175.29 172.84 2dcr n SER 66 N -4.70 0.00 0.03 5.90 2.88 -1.26 -4.76 113.62 111.70 2dcr n SER 66 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2dcr n SER 66 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2dcr n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dcr n LEU 67 N 0.00 0.18 0.11 2.46 -0.00 -1.24 -4.94 117.00 113.57 2dcr n LEU 67 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 2dcr n LEU 67 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 2dcr n LEU 67 CO 0.00 -0.59 -0.00 -0.67 -0.00 0.00 0.00 177.39 176.13 2dcr n ASP 68 N -2.81 -0.12 -0.06 1.45 -0.08 -1.26 -4.97 116.55 108.69 2dcr n ASP 68 Ca 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 2dcr n ASP 68 Cb 0.00 0.30 0.01 0.00 2.34 0.00 0.00 41.12 43.77 2dcr n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2dcr n ASN 69 N -3.23 0.58 -1.46 1.67 2.85 -1.26 -5.11 115.26 109.29 2dcr n ASN 69 Ca 0.00 -1.45 -0.04 0.00 -0.11 0.00 0.00 54.58 52.98 2dcr n ASN 69 Cb 0.00 -0.04 -0.01 0.00 1.24 0.00 0.00 39.78 40.97 2dcr n ASN 69 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2dcr n LEU 70 N -0.18 0.00 -3.72 1.20 4.77 -1.26 -4.53 117.00 113.28 2dcr n LEU 70 Ca 0.01 -0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 55.18 2dcr n LEU 70 Cb 0.47 0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 41.87 2dcr n LEU 70 CO 0.00 -0.13 -0.25 -0.31 -1.33 0.00 0.00 177.39 175.37 2dcr s TYR 71 N -3.46 -0.13 -0.02 -1.77 1.51 -0.41 -3.61 117.35 109.46 2dcr s TYR 71 Ca 0.07 0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 56.60 2dcr s TYR 71 Cb 0.00 -0.19 0.03 0.00 -0.11 0.00 0.00 41.96 41.69 2dcr s TYR 71 CO 0.05 -0.19 0.04 -0.98 -1.11 0.00 0.00 175.55 173.36 2dcr s ARG 72 N 1.59 -0.03 0.00 -0.62 1.04 -1.26 -1.66 118.95 118.01 2dcr s ARG 72 Ca -0.04 0.19 0.00 0.00 -1.04 0.00 0.00 55.73 54.84 2dcr s ARG 72 Cb -0.12 -0.24 0.00 0.00 -2.04 0.00 0.00 34.95 32.55 2dcr s ARG 72 CO -0.05 -0.16 0.00 -0.11 -0.04 0.00 0.00 175.30 174.93 2dcr n LEU 73 N 4.15 0.00 -0.09 -1.89 7.94 -1.26 -4.74 117.00 121.11 2dcr n LEU 73 Ca -0.27 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.47 2dcr n LEU 73 Cb 0.50 -0.10 -0.09 0.00 0.53 0.00 0.00 43.42 44.27 2dcr n LEU 73 CO 0.22 -0.39 -0.28 -0.08 -1.11 0.00 0.00 177.39 175.75 2dcr h GLU 74 N 0.00 0.00 0.00 1.96 4.57 -1.78 -3.47 114.58 115.85 2dcr h GLU 74 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dcr h GLU 74 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2dcr h GLU 74 CO 0.00 0.72 0.00 0.41 -1.18 0.00 0.00 179.01 178.96 2dcr n GLY 75 N 1.53 1.51 3.83 1.92 0.00 -1.26 -5.13 105.19 107.59 2dcr n GLY 75 Ca -0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2dcr n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dcr s GLU 76 N 4.04 -0.13 0.11 1.61 -1.05 -1.26 -4.88 118.70 117.13 2dcr s GLU 76 Ca 0.00 -0.40 0.09 0.00 -0.15 0.00 0.00 54.97 54.51 2dcr s GLU 76 Cb 0.00 -1.75 -0.04 0.00 -0.44 0.00 0.00 34.13 31.90 2dcr s GLU 76 CO 0.00 -2.93 -0.22 0.20 0.95 0.00 0.00 175.26 173.25 2dcr s GLY 77 N -4.66 1.33 0.20 -3.83 0.00 -1.26 -4.24 107.32 94.85 2dcr s GLY 77 Ca 0.75 -1.31 0.10 0.00 0.00 0.00 0.00 44.72 44.26 2dcr s GLY 77 CO 0.54 -1.30 -0.19 -1.36 0.00 0.00 0.00 173.10 170.79 2dcr s PHE 78 N -1.15 1.99 -0.08 1.90 0.40 -0.67 -4.82 117.98 115.56 2dcr s PHE 78 Ca 0.08 -0.44 0.30 0.00 -0.60 0.00 0.00 56.93 56.28 2dcr s PHE 78 Cb -0.10 -0.95 1.32 0.00 0.51 0.00 0.00 43.02 43.80 2dcr s PHE 78 CO 0.05 0.45 1.90 -1.00 0.70 0.00 0.00 175.22 177.31 2dcr h PRO 79 N 2.94 0.00 -4.71 0.24 0.13 -1.90 -1.10 132.00 127.60 2dcr h PRO 79 Ca -0.42 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 2dcr h PRO 79 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 2dcr h PRO 79 CO 0.54 0.00 -0.74 -1.12 -0.23 0.00 0.00 178.00 176.45 2dcr s SER 80 N -4.93 1.02 0.08 1.44 0.01 -1.26 -4.76 113.70 105.30 2dcr s SER 80 Ca 0.01 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 2dcr s SER 80 Cb 0.09 0.02 -0.16 0.00 0.21 0.00 0.00 66.02 66.18 2dcr s SER 80 CO 0.44 -0.19 1.68 0.40 0.41 0.00 0.00 173.24 175.98 2dcr h ILE 81 N 4.40 0.91 -0.56 1.44 2.04 -1.95 -3.01 117.51 120.78 2dcr h ILE 81 Ca -0.37 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 2dcr h ILE 81 Cb 1.20 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2dcr h ILE 81 CO 0.41 0.02 0.18 1.55 0.00 0.00 0.00 178.15 180.31 2dcr h PRO 82 N -0.20 0.83 0.00 2.37 0.13 -1.92 -1.03 132.00 132.18 2dcr h PRO 82 Ca -0.02 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2dcr h PRO 82 Cb 0.15 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dcr h PRO 82 CO 0.03 0.72 0.00 1.28 -0.23 0.00 0.00 178.00 179.79 2dcr n LEU 83 N -4.30 0.00 -0.11 1.56 4.32 -1.21 -2.09 117.00 115.16 2dcr n LEU 83 Ca 0.04 0.07 -0.14 0.00 -0.02 0.00 0.00 56.01 55.97 2dcr n LEU 83 Cb 0.20 -0.07 -0.14 0.00 -1.62 0.00 0.00 43.42 41.79 2dcr n LEU 83 CO 0.39 -0.02 -1.23 -0.11 -1.22 0.00 0.00 177.39 175.21 2dcr n LEU 84 N -1.07 1.50 -0.26 2.23 0.00 -0.46 -4.64 117.00 114.31 2dcr n LEU 84 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 56.01 56.17 2dcr n LEU 84 Cb 0.11 -0.20 0.20 0.00 0.00 0.00 0.00 43.42 43.53 2dcr n LEU 84 CO 0.15 0.71 0.99 0.40 0.00 0.00 0.00 177.39 179.63 2dcr h ILE 85 N 0.00 0.58 -0.62 1.96 1.08 -0.81 -1.19 117.51 118.50 2dcr h ILE 85 Ca -0.55 -0.13 -0.08 0.00 -0.39 0.00 0.00 64.86 63.72 2dcr h ILE 85 Cb 2.04 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2dcr h ILE 85 CO -0.03 0.07 0.09 -0.78 -0.69 0.00 0.00 178.15 176.81 2dcr h ASP 86 N 0.37 0.99 0.07 1.72 3.58 -1.83 0.25 116.42 121.58 2dcr h ASP 86 Ca 0.44 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2dcr h ASP 86 Cb 0.72 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2dcr h ASP 86 CO -0.46 1.00 0.00 1.57 -2.88 0.00 0.00 179.24 178.47 2dcr n HIS 87 N -4.27 0.00 -0.12 0.28 -0.00 -0.50 -0.50 115.22 110.11 2dcr n HIS 87 Ca 0.03 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.02 2dcr n HIS 87 Cb 0.29 -0.04 -0.10 0.00 -0.12 0.00 0.00 29.99 30.01 2dcr n HIS 87 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dcr n LEU 88 N -1.04 2.66 0.10 0.27 4.77 -0.84 -4.55 117.00 118.37 2dcr n LEU 88 Ca 0.17 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2dcr n LEU 88 Cb 0.10 -0.80 0.09 0.00 -2.33 0.00 0.00 43.42 40.47 2dcr n LEU 88 CO 0.14 0.80 0.40 0.25 -1.33 0.00 0.00 177.39 177.65 2dcr h LEU 89 N -0.24 0.16 -0.08 2.23 6.46 0.13 0.21 115.31 124.18 2dcr h LEU 89 Ca -0.56 -0.11 -0.25 0.00 -0.12 0.00 0.00 57.88 56.85 2dcr h LEU 89 Cb 1.75 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 41.64 2dcr h LEU 89 CO -0.16 0.81 -1.04 -1.28 -0.62 0.00 0.00 178.44 176.15 2dcr h SER 90 N 0.09 0.61 0.32 1.25 0.87 -1.03 -3.37 113.55 112.29 2dcr h SER 90 Ca -0.02 -0.52 -0.32 0.00 -1.23 0.00 0.00 61.79 59.70 2dcr h SER 90 Cb 1.25 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 2dcr h SER 90 CO 0.10 1.33 -1.89 0.35 -0.53 0.00 0.00 176.83 176.19 2dcr n THR 91 N -3.73 1.62 -2.45 2.23 -2.24 -1.07 -4.98 114.28 103.66 2dcr n THR 91 Ca -0.08 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 2dcr n THR 91 Cb 0.89 -1.16 0.01 0.00 -2.10 0.00 0.00 70.33 67.96 2dcr n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dcr n GLN 92 N -3.13 -1.00 -2.00 -0.78 1.13 0.72 -5.04 117.38 107.27 2dcr n GLN 92 Ca -0.24 0.16 -0.37 0.00 -1.94 0.00 0.00 57.00 54.62 2dcr n GLN 92 Cb 1.06 -3.42 0.03 0.00 0.11 0.00 0.00 30.24 28.02 2dcr n GLN 92 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dcr s GLN 93 N -4.83 3.17 0.57 -1.09 -0.21 -1.20 -4.87 119.66 111.21 2dcr s GLN 93 Ca 0.07 1.93 -0.19 0.00 0.02 0.00 0.00 55.36 57.19 2dcr s GLN 93 Cb -0.03 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 2dcr s GLN 93 CO 0.08 -1.07 1.15 -1.25 -2.12 0.00 0.00 175.29 172.08 2dcr s PRO 94 N -3.08 3.15 -0.04 2.91 0.04 -1.26 -4.34 135.00 132.38 2dcr s PRO 94 Ca 0.73 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 2dcr s PRO 94 Cb -0.33 -1.97 -0.27 0.00 0.04 0.00 0.00 34.50 31.97 2dcr s PRO 94 CO 0.37 -1.03 0.69 -0.07 0.04 0.00 0.00 177.00 177.01 2dcr h LEU 95 N 0.95 0.37 -7.00 -3.56 3.38 -0.91 -3.40 115.31 105.13 2dcr h LEU 95 Ca -0.50 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 56.84 2dcr h LEU 95 Cb 1.27 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 2dcr h LEU 95 CO 0.56 1.52 0.28 0.28 0.09 0.00 0.00 178.44 181.17 2dcr s THR 96 N -2.60 0.00 0.54 0.22 -1.32 -1.26 -4.48 115.64 106.75 2dcr s THR 96 Ca -0.12 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 2dcr s THR 96 Cb 0.07 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.43 2dcr s THR 96 CO 0.83 0.00 2.03 0.50 -2.21 0.00 0.00 174.62 175.77 2dcr h LYS 97 N 3.10 0.00 0.00 7.08 1.63 -1.98 0.12 116.57 126.51 2dcr h LYS 97 Ca -0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2dcr h LYS 97 Cb 1.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2dcr h LYS 97 CO 0.34 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.97 2dcr n LYS 98 N -4.27 0.06 0.12 1.90 4.76 -1.26 -4.48 118.16 114.98 2dcr n LYS 98 Ca 0.06 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2dcr n LYS 98 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2dcr n LYS 98 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dcr n SER 99 N -1.44 -0.26 0.00 4.39 7.64 -0.57 -5.04 113.62 118.34 2dcr n SER 99 Ca 0.05 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2dcr n SER 99 Cb 0.16 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2dcr n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 100 N 1.40 0.77 3.66 0.23 0.00 0.30 -5.01 105.19 106.54 2dcr n GLY 100 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2dcr n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dcr n VAL 101 N -3.09 3.99 -4.15 1.61 0.31 -1.26 -4.77 118.33 110.96 2dcr n VAL 101 Ca 0.00 -0.47 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 2dcr n VAL 101 Cb 0.30 -1.26 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 2dcr n VAL 101 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dcr s VAL 102 N -1.55 0.70 0.14 2.52 -7.23 -1.26 -0.24 120.40 113.48 2dcr s VAL 102 Ca 0.78 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 2dcr s VAL 102 Cb -0.38 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 2dcr s VAL 102 CO 0.45 -0.77 1.03 -0.76 -0.31 0.00 0.00 175.10 174.74 2dcr s LEU 103 N -2.77 4.49 0.00 1.32 1.43 -1.26 -4.85 118.68 117.04 2dcr s LEU 103 Ca 0.08 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2dcr s LEU 103 Cb 0.02 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2dcr s LEU 103 CO -0.03 -0.14 0.00 1.41 0.23 0.00 0.00 176.35 177.81 2dcr n HIS 104 N 2.63 0.00 -3.83 0.29 8.25 -1.14 -4.65 115.22 116.76 2dcr n HIS 104 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 2dcr n HIS 104 Cb 0.48 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 2dcr n HIS 104 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2dcr s ARG 105 N -1.22 0.55 -0.14 -0.41 6.06 -0.01 -4.94 118.95 118.86 2dcr s ARG 105 Ca 0.00 -0.33 0.02 0.00 -2.50 0.00 0.00 55.73 52.92 2dcr s ARG 105 Cb 0.00 0.24 0.00 0.00 0.06 0.00 0.00 34.95 35.25 2dcr s ARG 105 CO 0.00 -0.14 -0.20 0.00 -2.50 0.00 0.00 175.30 172.46 2dcr s ALA 106 N -1.38 2.33 -0.04 6.12 0.00 -1.26 -0.57 121.76 126.96 2dcr s ALA 106 Ca -0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 2dcr s ALA 106 Cb -0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2dcr s ALA 106 CO 0.03 0.05 1.28 0.08 0.00 0.00 0.00 175.76 177.19 2dcr s VAL 107 N 0.70 4.06 -0.23 0.00 1.01 -0.78 -4.90 120.40 120.25 2dcr s VAL 107 Ca -0.09 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 2dcr s VAL 107 Cb -0.16 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2dcr s VAL 107 CO 0.01 -0.01 1.03 -2.16 0.00 0.00 0.00 175.10 173.97 2dcr s PRO 108 N 2.33 4.26 0.23 2.72 0.04 -1.26 -3.29 135.00 140.04 2dcr s PRO 108 Ca 0.59 1.34 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2dcr s PRO 108 Cb -0.27 -3.64 0.21 0.00 0.04 0.00 0.00 34.50 30.84 2dcr s PRO 108 CO 0.23 -0.61 1.52 1.03 0.04 0.00 0.00 177.00 179.22 2dcr h SER 109 N 7.45 0.06 -4.38 6.66 0.87 -0.99 -3.49 113.55 119.74 2dcr h SER 109 Ca -0.20 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2dcr h SER 109 Cb 1.07 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2dcr h SER 109 CO 0.97 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 178.63 2dcr n GLY 110 N 0.51 -0.65 0.02 5.77 0.00 -1.26 -4.77 105.19 104.81 2dcr n GLY 110 Ca -0.01 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.32 2dcr n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dcr n PRO 111 N -0.66 0.02 -3.60 1.61 -0.04 -1.26 -4.73 135.00 126.34 2dcr n PRO 111 Ca 0.00 0.34 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2dcr n PRO 111 Cb 0.00 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 2dcr n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dcr s SER 112 N -3.15 -0.42 0.14 3.54 0.15 -1.26 -4.64 113.70 108.06 2dcr s SER 112 Ca 0.05 -0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 2dcr s SER 112 Cb 0.07 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 65.00 2dcr s SER 112 CO 0.21 -1.08 0.26 -0.44 1.20 0.00 0.00 173.24 173.39 2dcr s SER 113 N -2.80 0.06 0.00 5.45 0.01 -1.26 -5.01 113.70 110.15 2dcr s SER 113 Ca 0.05 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2dcr s SER 113 Cb -0.03 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dcr s SER 113 CO -0.05 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.36