#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 0.00 -2.31 1.61 7.64 -1.26 -5.10 113.62 114.21 2dcr n SER 2 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2dcr n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dcr n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dcr n SER 3 N 0.00 -0.43 0.00 6.43 7.64 -1.26 -4.96 113.62 121.05 2dcr n SER 3 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2dcr n SER 3 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2dcr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 4 N 3.85 -0.73 3.92 0.23 0.00 -1.26 -5.08 105.19 106.11 2dcr n GLY 4 Ca 0.00 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -4.40 -4.74 1.61 7.64 -1.26 -4.91 113.62 107.56 2dcr n SER 5 Ca 0.00 -1.11 -0.32 0.00 1.01 0.00 0.00 58.87 58.45 2dcr n SER 5 Cb 0.00 -1.56 0.10 0.00 -1.01 0.00 0.00 64.21 61.74 2dcr n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dcr s SER 6 N -3.22 4.20 -0.86 6.43 0.01 -1.26 -4.40 113.70 114.60 2dcr s SER 6 Ca 0.21 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.44 2dcr s SER 6 Cb -0.12 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2dcr s SER 6 CO 0.92 -2.25 0.58 0.61 0.41 0.00 0.00 173.24 173.51 2dcr n GLY 7 N -0.42 -1.14 0.78 3.44 0.00 -1.26 -4.87 105.19 101.72 2dcr n GLY 7 Ca 0.11 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.65 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 -3.03 1.70 0.05 1.61 1.02 -1.26 -4.46 120.64 116.27 2dcr n GLU 8 Ca -0.27 -0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 56.17 2dcr n GLU 8 Cb 0.63 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 2dcr n GLU 8 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dcr h VAL 9 N 0.71 0.29 0.00 2.62 2.07 -1.89 -3.07 116.25 116.98 2dcr h VAL 9 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2dcr h VAL 9 Cb 0.80 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dcr h VAL 9 CO 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 2dcr n GLN 10 N -5.42 0.11 -0.69 1.57 1.13 -1.26 -3.97 117.38 108.86 2dcr n GLN 10 Ca -0.05 0.09 -0.31 0.00 -1.94 0.00 0.00 57.00 54.79 2dcr n GLN 10 Cb 0.33 -1.63 0.16 0.00 0.11 0.00 0.00 30.24 29.21 2dcr n GLN 10 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dcr n LYS 11 N -1.83 -0.49 -0.98 -1.09 5.02 -1.16 -5.00 118.16 112.64 2dcr n LYS 11 Ca 0.06 -0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2dcr n LYS 11 Cb 0.38 -2.26 0.17 0.00 -0.02 0.00 0.00 35.03 33.29 2dcr n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dcr s PRO 12 N -4.42 0.79 0.37 1.97 0.04 -1.26 -4.90 135.00 127.59 2dcr s PRO 12 Ca 0.65 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.73 2dcr s PRO 12 Cb -0.23 -1.74 0.78 0.00 0.04 0.00 0.00 34.50 33.35 2dcr s PRO 12 CO 0.60 -2.60 1.97 1.25 0.04 0.00 0.00 177.00 178.26 2dcr h LEU 13 N -1.82 0.61 0.00 -3.56 6.46 -1.94 -2.67 115.31 112.40 2dcr h LEU 13 Ca -0.51 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2dcr h LEU 13 Cb 1.29 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2dcr h LEU 13 CO 0.51 0.40 0.00 0.00 -0.62 0.00 0.00 178.44 178.73 2dcr n HIS 14 N -4.48 0.00 0.21 1.25 1.44 -1.26 -1.69 115.22 110.70 2dcr n HIS 14 Ca 0.10 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.86 2dcr n HIS 14 Cb 0.23 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.41 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 -0.94 1.17 -1.30 -1.40 1.02 -1.01 -4.54 120.64 113.64 2dcr n GLU 15 Ca 0.18 -1.36 -0.31 0.00 -0.02 0.00 0.00 57.16 55.65 2dcr n GLU 15 Cb 0.08 -1.20 0.10 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.86 2.05 -0.27 3.49 -1.52 -0.68 -4.64 119.66 117.23 2dcr s GLN 16 Ca 0.14 1.01 -0.15 0.00 -1.95 0.00 0.00 55.36 54.41 2dcr s GLN 16 Cb 0.09 -1.88 -0.13 0.00 -0.22 0.00 0.00 33.01 30.86 2dcr s GLN 16 CO 0.12 -1.74 -0.27 1.47 -0.25 0.00 0.00 175.29 174.62 2dcr n LEU 17 N -3.57 1.94 0.00 2.90 -0.00 -1.26 -4.05 117.00 112.97 2dcr n LEU 17 Ca 0.08 0.35 0.08 0.00 -0.00 0.00 0.00 56.01 56.52 2dcr n LEU 17 Cb 0.54 -0.84 0.43 0.00 -0.00 0.00 0.00 43.42 43.54 2dcr n LEU 17 CO 0.54 0.53 0.72 -2.67 -0.00 0.00 0.00 177.39 176.51 2dcr n TRP 18 N -4.28 0.00 -2.70 1.47 4.27 -1.14 -0.47 117.44 114.60 2dcr n TRP 18 Ca -0.51 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 52.68 2dcr n TRP 18 Cb 0.85 -0.22 -0.03 0.00 -1.36 0.00 0.00 31.31 30.56 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 -2.43 2.72 -2.01 -2.67 5.04 -1.26 -0.53 117.35 116.21 2dcr s TYR 19 Ca 0.18 -0.96 0.05 0.00 -2.44 0.00 0.00 57.07 53.89 2dcr s TYR 19 Cb 0.11 -4.54 0.24 0.00 0.35 0.00 0.00 41.96 38.12 2dcr s TYR 19 CO 0.23 -1.78 1.16 0.72 -1.34 0.00 0.00 175.55 174.54 2dcr n HIS 20 N 8.08 0.04 0.00 4.97 8.25 -0.77 -4.82 115.22 130.97 2dcr n HIS 20 Ca 0.26 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2dcr n HIS 20 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 0.61 1.55 2.89 -1.41 0.00 -1.26 -4.58 105.19 102.98 2dcr n GLY 21 Ca 0.04 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 2dcr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcr s ALA 22 N -1.50 2.37 0.04 4.61 0.00 -1.26 0.15 121.76 126.17 2dcr s ALA 22 Ca 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 51.96 49.73 2dcr s ALA 22 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2dcr s ALA 22 CO 0.00 -1.73 -0.12 -1.50 0.00 0.00 0.00 175.76 172.41 2dcr s ILE 23 N 1.05 0.96 0.68 0.00 2.07 -1.25 -4.83 121.20 119.88 2dcr s ILE 23 Ca 0.11 -1.00 -0.11 0.00 -1.41 0.00 0.00 60.65 58.24 2dcr s ILE 23 Cb -0.19 -0.90 -0.00 0.00 0.13 0.00 0.00 42.46 41.50 2dcr s ILE 23 CO -0.13 -0.09 1.06 -2.16 -1.91 0.00 0.00 174.94 171.70 2dcr s PRO 24 N -1.24 3.11 0.38 3.50 0.04 -1.26 -4.62 135.00 134.91 2dcr s PRO 24 Ca -0.01 0.73 0.11 0.00 0.04 0.00 0.00 61.00 61.87 2dcr s PRO 24 Cb -0.08 -2.03 0.89 0.00 0.04 0.00 0.00 34.50 33.32 2dcr s PRO 24 CO 0.01 -0.92 1.90 0.07 0.04 0.00 0.00 177.00 178.11 2dcr h ARG 25 N -0.58 0.59 0.00 4.56 0.11 -2.00 -1.98 114.38 115.08 2dcr h ARG 25 Ca -0.44 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2dcr h ARG 25 Cb 1.22 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2dcr h ARG 25 CO 0.61 0.39 0.00 0.00 0.10 0.00 0.00 179.97 181.07 2dcr n ALA 26 N -2.47 2.61 -0.08 0.08 0.00 -1.26 -2.51 120.51 116.87 2dcr n ALA 26 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2dcr n ALA 26 Cb 0.44 -1.50 -0.16 0.00 0.00 0.00 0.00 19.45 18.24 2dcr n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dcr n GLU 27 N -1.05 0.68 -0.13 0.00 -0.58 -0.75 -4.67 120.64 114.14 2dcr n GLU 27 Ca 0.21 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.87 2dcr n GLU 27 Cb 0.13 -1.55 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 2dcr n GLU 27 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dcr h VAL 28 N 0.00 0.00 0.00 2.62 2.07 -1.45 -2.34 116.25 117.14 2dcr h VAL 28 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2dcr h VAL 28 Cb 2.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2dcr h VAL 28 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2dcr n ALA 29 N -3.00 1.49 0.09 1.67 0.00 -1.26 -0.31 120.51 119.20 2dcr n ALA 29 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 2dcr n ALA 29 Cb 0.22 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.40 2dcr n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dcr h GLU 30 N 0.00 0.18 0.09 0.00 4.57 -1.71 -3.36 114.58 114.35 2dcr h GLU 30 Ca 0.00 -0.14 -0.29 0.00 -1.18 0.00 0.00 59.36 57.75 2dcr h GLU 30 Cb 0.26 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2dcr h GLU 30 CO 0.00 0.80 -1.55 -0.07 -1.18 0.00 0.00 179.01 177.01 2dcr h LEU 31 N 0.12 0.31 -9.36 1.64 3.38 -0.51 -3.45 115.31 107.43 2dcr h LEU 31 Ca -0.02 -0.81 -0.55 0.00 0.09 0.00 0.00 57.88 56.60 2dcr h LEU 31 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2dcr h LEU 31 CO 0.10 1.66 0.37 -0.76 0.09 0.00 0.00 178.44 179.91 2dcr s LEU 32 N -7.47 4.33 0.00 1.67 1.43 -0.16 -4.91 118.68 113.57 2dcr s LEU 32 Ca -0.23 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2dcr s LEU 32 Cb 0.05 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2dcr s LEU 32 CO 0.73 -0.29 0.00 0.52 0.23 0.00 0.00 176.35 177.54 2dcr n VAL 33 N 4.05 0.00 -4.03 -1.59 0.31 -1.26 -4.69 118.33 111.13 2dcr n VAL 33 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.16 2dcr n VAL 33 Cb 0.50 -0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.79 3.31 -1.01 3.52 3.76 -1.26 -5.02 115.29 116.80 2dcr s HIS 34 Ca 0.00 -0.02 -0.23 0.00 -0.15 0.00 0.00 55.06 54.65 2dcr s HIS 34 Cb 0.00 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.19 2dcr s HIS 34 CO 0.00 0.49 1.61 -1.12 -0.85 0.00 0.00 174.74 174.87 2dcr s SER 35 N -3.70 6.13 0.00 1.40 0.01 -1.26 -2.16 113.70 114.12 2dcr s SER 35 Ca 0.33 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2dcr s SER 35 Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dcr s SER 35 CO 0.27 -1.85 0.00 0.61 0.41 0.00 0.00 173.24 172.68 2dcr n GLY 36 N 6.77 0.59 3.70 3.44 0.00 -0.81 -4.95 105.19 113.95 2dcr n GLY 36 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2dcr n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dcr s ASP 37 N 0.00 6.47 0.15 1.61 1.11 -0.92 -0.47 116.67 124.62 2dcr s ASP 37 Ca 0.00 2.72 0.04 0.00 0.18 0.00 0.00 52.55 55.49 2dcr s ASP 37 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2dcr s ASP 37 CO 0.00 -0.94 -0.10 0.72 1.18 0.00 0.00 175.17 176.03 2dcr s PHE 38 N 1.97 1.27 0.04 4.23 -0.12 0.55 -1.57 117.98 124.34 2dcr s PHE 38 Ca 0.76 -0.76 -0.06 0.00 -0.05 0.00 0.00 56.93 56.81 2dcr s PHE 38 Cb -0.46 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 2dcr s PHE 38 CO 0.33 0.08 0.11 -0.48 -0.05 0.00 0.00 175.22 175.22 2dcr s LEU 39 N -3.17 1.72 -0.15 -1.99 0.05 -0.25 -2.43 118.68 112.46 2dcr s LEU 39 Ca 0.17 -0.48 -0.06 0.00 0.05 0.00 0.00 54.13 53.81 2dcr s LEU 39 Cb 0.03 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 2dcr s LEU 39 CO 0.01 -0.50 0.07 -0.69 -0.55 0.00 0.00 176.35 174.68 2dcr s VAL 40 N -2.49 4.86 0.12 1.48 1.01 0.31 -1.13 120.40 124.56 2dcr s VAL 40 Ca -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2dcr s VAL 40 Cb -0.02 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2dcr s VAL 40 CO -0.04 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 2dcr s ARG 41 N -0.25 0.92 0.49 2.72 1.70 0.19 -1.85 118.95 122.88 2dcr s ARG 41 Ca 0.08 -1.41 -0.04 0.00 -0.47 0.00 0.00 55.73 53.89 2dcr s ARG 41 Cb -0.12 -0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.12 2dcr s ARG 41 CO 0.01 -0.10 0.78 -2.00 -1.08 0.00 0.00 175.30 172.92 2dcr s GLU 42 N -3.90 3.34 1.33 3.89 -6.30 0.12 0.22 118.70 117.40 2dcr s GLU 42 Ca 0.17 0.04 -0.22 0.00 -2.50 0.00 0.00 54.97 52.46 2dcr s GLU 42 Cb 0.06 -2.39 0.34 0.00 0.00 0.00 0.00 34.13 32.14 2dcr s GLU 42 CO -0.01 -0.31 0.86 0.45 0.02 0.00 0.00 175.26 176.27 2dcr n SER 43 N -2.28 -3.60 -2.28 -1.70 2.88 -0.30 -3.76 113.62 102.57 2dcr n SER 43 Ca 0.01 -0.89 -0.15 0.00 -1.33 0.00 0.00 58.87 56.51 2dcr n SER 43 Cb 0.56 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 62.96 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 -5.37 2.01 -1.98 -1.46 10.64 -1.26 -4.60 117.38 115.36 2dcr n GLN 44 Ca 0.13 -1.07 -0.02 0.00 -1.83 0.00 0.00 57.00 54.21 2dcr n GLN 44 Cb 0.56 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 2dcr n GLN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dcr n GLY 45 N 2.75 -0.84 0.00 2.61 0.00 -1.26 -5.01 105.19 103.44 2dcr n GLY 45 Ca 0.43 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2dcr n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dcr n LYS 46 N -0.63 3.25 -3.72 1.61 4.76 -1.26 -5.00 118.16 117.17 2dcr n LYS 46 Ca 0.03 -0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.08 2dcr n LYS 46 Cb 0.24 -0.58 0.05 0.00 -1.84 0.00 0.00 35.03 32.90 2dcr n LYS 46 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dcr n GLN 47 N -0.51 -5.96 -4.06 1.97 6.02 -1.26 -5.03 117.38 108.55 2dcr n GLN 47 Ca 0.00 0.68 -0.15 0.00 -0.01 0.00 0.00 57.00 57.52 2dcr n GLN 47 Cb 0.02 -5.52 -0.15 0.00 1.02 0.00 0.00 30.24 25.62 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 -6.19 0.32 0.54 -1.09 2.12 -1.26 -5.07 118.70 108.06 2dcr s GLU 48 Ca 0.35 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 2dcr s GLU 48 Cb -0.17 -0.33 -0.00 0.00 0.26 0.00 0.00 34.13 33.89 2dcr s GLU 48 CO 0.79 0.05 0.83 0.71 -0.54 0.00 0.00 175.26 177.10 2dcr s TYR 49 N 0.06 3.29 -0.02 5.30 2.02 -1.26 -1.15 117.35 125.60 2dcr s TYR 49 Ca -0.00 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2dcr s TYR 49 Cb -0.03 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 38.97 2dcr s TYR 49 CO -0.00 -0.62 -0.04 0.08 -1.57 0.00 0.00 175.55 173.39 2dcr s VAL 50 N -2.85 0.40 -0.01 0.71 1.01 0.13 -1.17 120.40 118.63 2dcr s VAL 50 Ca 0.51 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 2dcr s VAL 50 Cb -0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 2dcr s VAL 50 CO 0.43 0.16 0.39 -0.22 0.00 0.00 0.00 175.10 175.86 2dcr s LEU 51 N 0.43 4.46 -0.04 3.92 2.96 0.10 -0.64 118.68 129.88 2dcr s LEU 51 Ca -0.05 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2dcr s LEU 51 Cb -0.08 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2dcr s LEU 51 CO -0.00 0.32 0.09 -0.44 -1.32 0.00 0.00 176.35 175.00 2dcr s SER 52 N -1.02 -0.07 -0.14 3.68 0.01 -0.28 -0.90 113.70 114.98 2dcr s SER 52 Ca 0.23 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.57 2dcr s SER 52 Cb -0.16 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.25 2dcr s SER 52 CO 0.13 -0.08 0.36 0.54 0.41 0.00 0.00 173.24 174.60 2dcr s VAL 53 N 0.52 -0.01 -0.51 3.43 0.11 -0.99 -1.10 120.40 121.86 2dcr s VAL 53 Ca -0.04 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 2dcr s VAL 53 Cb -0.06 -0.51 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2dcr s VAL 53 CO -0.02 0.01 0.71 -0.22 -3.33 0.00 0.00 175.10 172.25 2dcr s LEU 54 N 0.51 4.70 -0.06 2.54 2.96 -0.61 -0.40 118.68 128.33 2dcr s LEU 54 Ca -0.03 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 2dcr s LEU 54 Cb -0.04 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.10 2dcr s LEU 54 CO -0.03 -0.97 -0.06 0.86 -1.32 0.00 0.00 176.35 174.83 2dcr s TRP 55 N 2.98 1.01 -1.63 5.38 -0.11 -0.84 -1.92 118.94 123.81 2dcr s TRP 55 Ca 0.20 -0.35 -0.16 0.00 1.22 0.00 0.00 56.10 57.01 2dcr s TRP 55 Cb -0.17 -0.85 0.13 0.00 -1.50 0.00 0.00 33.47 31.08 2dcr s TRP 55 CO 0.14 -0.26 0.86 -3.47 -4.62 0.00 0.00 176.95 169.60 2dcr n ASP 56 N 4.18 -3.84 0.00 5.86 -0.08 -1.26 -1.17 116.55 120.24 2dcr n ASP 56 Ca -0.21 -0.92 0.00 0.00 -1.51 0.00 0.00 54.79 52.15 2dcr n ASP 56 Cb 0.51 -3.21 0.00 0.00 2.34 0.00 0.00 41.12 40.75 2dcr n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dcr n GLY 57 N -1.53 0.49 2.99 0.27 0.00 -1.26 -5.01 105.19 101.14 2dcr n GLY 57 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 2.68 -0.85 0.99 0.20 -0.32 -5.06 118.68 116.32 2dcr s LEU 58 Ca 0.00 -1.14 -0.25 0.00 0.69 0.00 0.00 54.13 53.43 2dcr s LEU 58 Cb 0.00 -1.28 -0.08 0.00 -0.43 0.00 0.00 46.19 44.40 2dcr s LEU 58 CO 0.00 -0.20 2.12 -2.16 -0.29 0.00 0.00 176.35 175.82 2dcr s PRO 59 N 1.33 2.20 0.88 0.98 0.04 -1.26 -1.98 135.00 137.18 2dcr s PRO 59 Ca -0.05 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.90 2dcr s PRO 59 Cb -0.18 -4.95 0.12 0.00 0.04 0.00 0.00 34.50 29.53 2dcr s PRO 59 CO -0.07 -3.77 1.17 1.03 0.04 0.00 0.00 177.00 175.40 2dcr s ARG 60 N 7.72 1.22 -0.22 4.56 1.81 0.47 -4.78 118.95 129.73 2dcr s ARG 60 Ca 0.79 1.62 -0.02 0.00 -1.72 0.00 0.00 55.73 56.39 2dcr s ARG 60 Cb -0.09 -1.74 0.07 0.00 -0.45 0.00 0.00 34.95 32.73 2dcr s ARG 60 CO 0.03 -2.49 0.05 -3.38 -0.68 0.00 0.00 175.30 168.82 2dcr s HIS 61 N -2.49 1.15 -0.13 -0.53 -3.43 -1.26 -2.33 115.29 106.27 2dcr s HIS 61 Ca 0.69 -1.05 -0.02 0.00 -0.80 0.00 0.00 55.06 53.88 2dcr s HIS 61 Cb -0.25 -1.16 -0.03 0.00 -1.43 0.00 0.00 32.58 29.72 2dcr s HIS 61 CO 0.55 -0.68 -0.05 -0.06 -2.00 0.00 0.00 174.74 172.51 2dcr s PHE 62 N 1.82 3.00 0.22 0.38 0.08 -0.08 -4.99 117.98 118.41 2dcr s PHE 62 Ca 0.01 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 2dcr s PHE 62 Cb -0.17 -1.89 -0.09 0.00 -0.57 0.00 0.00 43.02 40.30 2dcr s PHE 62 CO -0.13 0.06 1.39 0.42 -0.10 0.00 0.00 175.22 176.86 2dcr s ILE 63 N 0.04 2.92 0.53 0.64 -1.09 -1.26 0.00 121.20 122.98 2dcr s ILE 63 Ca -0.00 0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 58.96 2dcr s ILE 63 Cb -0.13 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.20 2dcr s ILE 63 CO 0.03 0.11 1.17 -0.38 -1.23 0.00 0.00 174.94 174.64 2dcr n ILE 64 N 2.57 3.48 -0.64 2.92 2.08 -0.31 -4.76 119.36 124.70 2dcr n ILE 64 Ca 0.07 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.58 2dcr n ILE 64 Cb 0.41 -1.40 0.21 0.00 -0.75 0.00 0.00 39.64 38.11 2dcr n ILE 64 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dcr s GLN 65 N -2.65 0.02 -0.30 0.38 1.11 -1.26 -4.87 119.66 112.09 2dcr s GLN 65 Ca 0.71 1.16 -0.14 0.00 0.01 0.00 0.00 55.36 57.10 2dcr s GLN 65 Cb -0.45 -1.64 0.18 0.00 -1.01 0.00 0.00 33.01 30.09 2dcr s GLN 65 CO 0.50 -3.19 1.09 0.45 0.01 0.00 0.00 175.29 174.16 2dcr s SER 66 N -2.62 -0.37 0.00 5.90 0.15 -1.26 -4.80 113.70 110.70 2dcr s SER 66 Ca 0.67 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2dcr s SER 66 Cb -0.24 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 2dcr s SER 66 CO 0.61 -0.07 0.00 0.00 1.20 0.00 0.00 173.24 174.98 2dcr n LEU 67 N 5.46 0.00 0.30 3.45 -0.00 -0.39 -4.95 117.00 120.87 2dcr n LEU 67 Ca -0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.78 2dcr n LEU 67 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.88 2dcr n LEU 67 CO -0.12 0.00 0.65 0.44 -0.00 0.00 0.00 177.39 178.36 2dcr h ASP 68 N 0.00 -0.62 0.00 1.45 3.32 -2.02 -3.36 116.42 115.19 2dcr h ASP 68 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2dcr h ASP 68 Cb 0.00 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2dcr h ASP 68 CO 0.00 -0.39 -0.09 -3.20 -1.72 0.00 0.00 179.24 173.84 2dcr n ASN 69 N -5.38 0.00 -4.18 6.45 4.05 -1.26 -5.10 115.26 109.84 2dcr n ASN 69 Ca -0.12 -1.17 -0.20 0.00 0.45 0.00 0.00 54.58 53.53 2dcr n ASN 69 Cb 0.31 -0.03 -0.09 0.00 1.23 0.00 0.00 39.78 41.19 2dcr n ASN 69 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dcr s LEU 70 N 0.00 1.84 -0.10 1.20 1.43 -1.26 -4.62 118.68 117.17 2dcr s LEU 70 Ca 0.00 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 2dcr s LEU 70 Cb 0.00 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.22 2dcr s LEU 70 CO 0.00 -0.81 -0.08 -0.31 0.23 0.00 0.00 176.35 175.38 2dcr s TYR 71 N -3.49 1.38 -0.01 0.29 2.02 -0.64 -1.26 117.35 115.65 2dcr s TYR 71 Ca 0.34 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2dcr s TYR 71 Cb 0.06 -1.14 -0.00 0.00 -0.40 0.00 0.00 41.96 40.48 2dcr s TYR 71 CO 0.16 -0.44 -0.07 -0.98 -1.57 0.00 0.00 175.55 172.65 2dcr s ARG 72 N 1.47 0.56 -0.02 -0.62 1.04 -1.26 -1.51 118.95 118.62 2dcr s ARG 72 Ca 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 55.73 54.45 2dcr s ARG 72 Cb -0.13 -0.55 -0.01 0.00 -2.04 0.00 0.00 34.95 32.22 2dcr s ARG 72 CO -0.05 0.14 -0.02 -0.11 -0.04 0.00 0.00 175.30 175.22 2dcr n LEU 73 N 2.94 2.83 0.00 -1.89 7.94 -1.26 -4.65 117.00 122.91 2dcr n LEU 73 Ca -0.13 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 2dcr n LEU 73 Cb 0.57 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2dcr n LEU 73 CO 0.25 0.51 0.00 1.21 -1.11 0.00 0.00 177.39 178.25 2dcr n GLU 74 N -2.59 0.00 0.00 1.96 4.07 -1.26 -4.84 120.64 117.98 2dcr n GLU 74 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2dcr n GLU 74 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 2dcr n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dcr n GLY 75 N 3.34 0.54 3.64 8.31 0.00 -1.26 -5.07 105.19 114.69 2dcr n GLY 75 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.69 0.64 0.26 1.61 -1.05 -1.26 -4.94 118.70 116.64 2dcr s GLU 76 Ca 0.00 1.17 0.06 0.00 -0.15 0.00 0.00 54.97 56.04 2dcr s GLU 76 Cb 0.00 -1.71 -0.03 0.00 -0.44 0.00 0.00 34.13 31.95 2dcr s GLU 76 CO 0.00 -2.77 0.35 0.20 0.95 0.00 0.00 175.26 173.99 2dcr s GLY 77 N -2.85 1.30 0.15 -3.83 0.00 -1.26 -4.44 107.32 96.38 2dcr s GLY 77 Ca 0.66 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2dcr s GLY 77 CO 0.59 -1.30 -0.15 -1.36 0.00 0.00 0.00 173.10 170.88 2dcr s PHE 78 N -2.03 1.56 -1.11 1.90 0.40 -0.57 -4.87 117.98 113.27 2dcr s PHE 78 Ca 0.35 -0.54 0.18 0.00 -0.60 0.00 0.00 56.93 56.32 2dcr s PHE 78 Cb -0.09 -0.79 0.80 0.00 0.51 0.00 0.00 43.02 43.45 2dcr s PHE 78 CO 0.29 0.22 1.57 -0.35 0.70 0.00 0.00 175.22 177.65 2dcr n PRO 79 N 0.33 0.07 -4.01 0.24 -0.04 -1.26 -1.62 135.00 128.71 2dcr n PRO 79 Ca -0.14 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2dcr n PRO 79 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2dcr n PRO 79 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dcr s SER 80 N -2.89 0.31 0.05 3.54 0.01 -1.26 -4.88 113.70 108.57 2dcr s SER 80 Ca 0.11 -0.61 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 2dcr s SER 80 Cb 0.12 0.12 -0.15 0.00 0.21 0.00 0.00 66.02 66.32 2dcr s SER 80 CO 0.31 -0.36 1.52 0.40 0.41 0.00 0.00 173.24 175.52 2dcr h ILE 81 N 4.31 1.20 0.00 1.44 2.04 -1.95 -3.11 117.51 121.44 2dcr h ILE 81 Ca -0.33 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2dcr h ILE 81 Cb 1.19 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2dcr h ILE 81 CO 0.47 0.17 -0.23 1.55 0.00 0.00 0.00 178.15 180.10 2dcr h PRO 82 N -0.13 0.00 -0.32 2.37 0.13 -1.91 -1.12 132.00 131.02 2dcr h PRO 82 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 2dcr h PRO 82 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 2dcr h PRO 82 CO 0.00 0.23 -0.31 -0.07 -0.23 0.00 0.00 178.00 177.63 2dcr h LEU 83 N 0.00 0.70 -0.22 1.56 4.07 -1.69 -3.14 115.31 116.59 2dcr h LEU 83 Ca -0.00 -0.28 -0.20 0.00 0.08 0.00 0.00 57.88 57.48 2dcr h LEU 83 Cb 0.49 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2dcr h LEU 83 CO 0.03 0.96 -0.92 0.25 -1.08 0.00 0.00 178.44 177.68 2dcr h LEU 84 N 0.57 0.19 -0.58 1.67 6.46 -1.16 -3.25 115.31 119.21 2dcr h LEU 84 Ca 0.07 -0.16 0.11 0.00 -0.12 0.00 0.00 57.88 57.78 2dcr h LEU 84 Cb 0.81 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.59 2dcr h LEU 84 CO 0.07 1.00 0.07 0.40 -0.62 0.00 0.00 178.44 179.36 2dcr h ILE 85 N 0.07 0.60 -0.67 4.05 1.08 -1.32 -2.56 117.51 118.75 2dcr h ILE 85 Ca -0.04 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2dcr h ILE 85 Cb 1.57 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 2dcr h ILE 85 CO 0.13 0.03 0.26 -0.78 -0.69 0.00 0.00 178.15 177.11 2dcr h ASP 86 N 0.19 0.93 0.67 1.72 3.58 -1.63 0.10 116.42 121.99 2dcr h ASP 86 Ca 0.30 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2dcr h ASP 86 Cb 0.46 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2dcr h ASP 86 CO -0.43 0.85 0.00 1.57 -2.88 0.00 0.00 179.24 178.35 2dcr n HIS 87 N -4.39 0.06 -0.08 0.28 -0.00 -1.04 -0.95 115.22 109.11 2dcr n HIS 87 Ca 0.05 0.02 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 2dcr n HIS 87 Cb 0.18 -0.54 -0.14 0.00 -0.12 0.00 0.00 29.99 29.37 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 -1.56 1.47 0.00 0.27 4.77 -0.58 -4.20 117.00 117.18 2dcr n LEU 88 Ca 0.04 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 2dcr n LEU 88 Cb 0.23 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 2dcr n LEU 88 CO 0.18 0.66 0.23 0.25 -1.33 0.00 0.00 177.39 177.38 2dcr h LEU 89 N 0.01 0.88 0.00 2.23 6.46 -0.47 -0.64 115.31 123.79 2dcr h LEU 89 Ca -0.49 -0.61 -0.19 0.00 -0.12 0.00 0.00 57.88 56.47 2dcr h LEU 89 Cb 2.07 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 2dcr h LEU 89 CO 0.02 1.41 -0.99 -1.28 -0.62 0.00 0.00 178.44 176.98 2dcr h SER 90 N 0.48 0.00 0.28 1.25 0.87 -1.28 -3.35 113.55 111.80 2dcr h SER 90 Ca -0.07 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.16 2dcr h SER 90 Cb 1.47 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.38 2dcr h SER 90 CO 0.17 0.85 -1.95 0.35 -0.53 0.00 0.00 176.83 175.72 2dcr n THR 91 N -3.25 1.62 -2.17 2.23 -2.24 -1.22 -5.02 114.28 104.22 2dcr n THR 91 Ca -0.02 -0.75 -0.05 0.00 -2.27 0.00 0.00 64.05 60.96 2dcr n THR 91 Cb 0.89 -1.17 0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.14 -0.83 -3.43 -0.78 1.13 -0.28 -5.08 117.38 104.97 2dcr n GLN 92 Ca -0.25 0.43 -0.37 0.00 -1.94 0.00 0.00 57.00 54.86 2dcr n GLN 92 Cb 1.06 -3.20 -0.06 0.00 0.11 0.00 0.00 30.24 28.16 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 -3.46 3.96 0.17 -1.09 -0.21 -0.99 -4.88 119.66 113.16 2dcr s GLN 93 Ca 0.15 0.45 -0.30 0.00 0.02 0.00 0.00 55.36 55.69 2dcr s GLN 93 Cb -0.02 -3.11 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 2dcr s GLN 93 CO 0.29 0.60 1.14 -1.25 -2.12 0.00 0.00 175.29 173.95 2dcr s PRO 94 N -1.47 4.55 0.39 2.91 0.04 -1.25 -4.16 135.00 135.99 2dcr s PRO 94 Ca 0.30 1.78 0.21 0.00 0.04 0.00 0.00 61.00 63.33 2dcr s PRO 94 Cb -0.16 -3.27 0.40 0.00 0.04 0.00 0.00 34.50 31.51 2dcr s PRO 94 CO 0.17 -0.01 1.61 -0.07 0.04 0.00 0.00 177.00 178.74 2dcr h LEU 95 N 5.25 0.00 -7.10 -3.56 3.38 -0.92 -3.42 115.31 108.94 2dcr h LEU 95 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2dcr h LEU 95 Cb 1.21 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 2dcr h LEU 95 CO 0.74 0.22 0.09 0.28 0.09 0.00 0.00 178.44 179.86 2dcr s THR 96 N -3.21 0.01 -1.63 0.22 -1.32 -1.26 -4.88 115.64 103.56 2dcr s THR 96 Ca 0.04 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2dcr s THR 96 Cb 0.07 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2dcr s THR 96 CO 0.68 -0.04 0.43 1.17 -2.21 0.00 0.00 174.62 174.65 2dcr n LYS 97 N 1.23 0.53 0.00 7.08 3.00 -1.26 -1.42 118.16 127.32 2dcr n LYS 97 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2dcr n LYS 97 Cb 0.57 -1.10 0.00 0.00 0.00 0.00 0.00 35.03 34.50 2dcr n LYS 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dcr n LYS 98 N -0.23 3.56 0.00 1.64 4.76 -1.26 -4.84 118.16 121.79 2dcr n LYS 98 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2dcr n LYS 98 Cb 0.05 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 -1.00 0.06 0.00 4.39 7.64 -1.08 -5.05 113.62 118.58 2dcr n SER 99 Ca 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2dcr n SER 99 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.18 0.23 3.72 0.23 0.00 -0.51 -4.89 105.19 104.15 2dcr n GLY 100 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2dcr n GLY 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dcr n VAL 101 N -2.00 0.48 -4.84 1.61 3.14 -1.26 -4.28 118.33 111.17 2dcr n VAL 101 Ca 0.00 -0.12 -0.33 0.00 -2.96 0.00 0.00 64.34 60.93 2dcr n VAL 101 Cb 0.00 -1.88 -0.14 0.00 -1.06 0.00 0.00 33.84 30.76 2dcr n VAL 101 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2dcr s VAL 102 N 0.57 2.94 0.23 1.55 -7.23 -1.26 -0.37 120.40 116.83 2dcr s VAL 102 Ca 0.71 -0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 2dcr s VAL 102 Cb -0.54 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.08 2dcr s VAL 102 CO 0.41 0.54 1.58 -0.76 -0.31 0.00 0.00 175.10 176.56 2dcr s LEU 103 N 0.20 4.37 0.00 1.32 1.43 -1.26 -4.88 118.68 119.86 2dcr s LEU 103 Ca -0.09 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2dcr s LEU 103 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2dcr s LEU 103 CO 0.05 -0.86 0.00 1.41 0.23 0.00 0.00 176.35 177.18 2dcr n HIS 104 N 3.07 0.00 -3.85 0.29 8.25 -1.13 -4.43 115.22 117.42 2dcr n HIS 104 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 2dcr n HIS 104 Cb 0.38 0.10 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.90 0.17 -0.16 -0.41 6.06 0.38 -4.95 118.95 118.14 2dcr s ARG 105 Ca 0.00 0.04 -0.08 0.00 -2.50 0.00 0.00 55.73 53.20 2dcr s ARG 105 Cb 0.00 0.07 -0.04 0.00 0.06 0.00 0.00 34.95 35.04 2dcr s ARG 105 CO 0.00 -0.03 0.11 0.00 -2.50 0.00 0.00 175.30 172.88 2dcr s ALA 106 N -0.18 3.66 -0.20 6.12 0.00 -1.26 -0.33 121.76 129.57 2dcr s ALA 106 Ca -0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 2dcr s ALA 106 Cb -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2dcr s ALA 106 CO 0.00 0.37 1.08 0.08 0.00 0.00 0.00 175.76 177.29 2dcr s VAL 107 N -0.25 4.60 -0.40 0.00 1.01 -1.02 -4.90 120.40 119.44 2dcr s VAL 107 Ca 0.10 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 2dcr s VAL 107 Cb -0.12 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2dcr s VAL 107 CO 0.01 -0.15 1.09 -2.16 0.00 0.00 0.00 175.10 173.89 2dcr s PRO 108 N 3.11 3.88 0.01 2.72 0.04 -1.26 -2.89 135.00 140.60 2dcr s PRO 108 Ca 0.47 0.78 0.23 0.00 0.04 0.00 0.00 61.00 62.52 2dcr s PRO 108 Cb -0.17 -3.83 0.22 0.00 0.04 0.00 0.00 34.50 30.77 2dcr s PRO 108 CO 0.09 -1.13 1.21 0.45 0.04 0.00 0.00 177.00 177.66 2dcr n SER 109 N 7.32 0.67 0.00 6.66 2.88 0.39 -4.98 113.62 126.55 2dcr n SER 109 Ca 0.11 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2dcr n SER 109 Cb 0.48 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 2dcr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dcr n GLY 110 N 1.48 1.50 0.00 0.46 0.00 -1.26 -4.84 105.19 102.53 2dcr n GLY 110 Ca 0.05 -2.19 0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.43 0.16 -4.35 1.61 -0.04 -1.26 -4.10 135.00 126.59 2dcr n PRO 111 Ca 0.00 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2dcr n PRO 111 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.83 2.73 0.23 3.54 0.15 -1.26 -4.38 113.70 111.87 2dcr s SER 112 Ca 0.19 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.82 2dcr s SER 112 Cb 0.19 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 2dcr s SER 112 CO 0.49 -0.06 0.43 -0.94 1.20 0.00 0.00 173.24 174.36 2dcr s SER 113 N -2.86 -0.07 0.00 5.45 1.04 -1.26 -5.03 113.70 110.97 2dcr s SER 113 Ca 0.18 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2dcr s SER 113 Cb -0.05 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dcr s SER 113 CO 0.07 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.82