#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weq s SER 2 N 0.00 0.22 0.32 1.61 0.01 -1.26 -5.19 113.70 109.41 1weq s SER 2 Ca 0.00 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.17 1weq s SER 2 Cb 0.00 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 1weq s SER 2 CO 0.00 -1.38 0.09 -0.94 0.41 0.00 0.00 173.24 171.43 1weq s SER 3 N -3.09 2.05 0.11 2.44 1.04 -1.26 -5.17 113.70 109.82 1weq s SER 3 Ca 0.21 -1.46 0.01 0.00 0.48 0.00 0.00 55.95 55.20 1weq s SER 3 Cb -0.03 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1weq s SER 3 CO 0.13 -0.74 0.11 0.61 0.98 0.00 0.00 173.24 174.33 1weq n GLY 4 N -0.66 2.57 3.13 7.32 0.00 -1.26 -5.15 105.19 111.14 1weq n GLY 4 Ca -0.02 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 1weq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weq s SER 5 N -1.66 -0.26 0.26 1.61 0.01 -1.26 -5.17 113.70 107.24 1weq s SER 5 Ca 0.08 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1weq s SER 5 Cb -0.01 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1weq s SER 5 CO 0.05 -0.09 0.44 -0.44 0.41 0.00 0.00 173.24 173.62 1weq s SER 6 N 0.13 6.35 0.00 2.44 0.01 -1.26 -5.11 113.70 116.26 1weq s SER 6 Ca -0.00 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1weq s SER 6 Cb -0.02 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1weq s SER 6 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1weq n GLY 7 N -1.15 2.39 3.61 3.44 0.00 -1.26 -5.16 105.19 107.07 1weq n GLY 7 Ca -0.05 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1weq n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1weq s GLU 8 N 4.95 0.59 0.54 1.61 2.56 -1.26 -5.18 118.70 122.50 1weq s GLU 8 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 54.97 55.51 1weq s GLU 8 Cb 0.00 0.28 0.07 0.00 2.00 0.00 0.00 34.13 36.48 1weq s GLU 8 CO 0.00 -0.12 0.74 -0.48 -0.56 0.00 0.00 175.26 174.84 1weq s LEU 9 N -0.29 3.24 -0.27 2.70 0.05 -1.26 -5.10 118.68 117.75 1weq s LEU 9 Ca 0.01 -0.72 -0.05 0.00 0.05 0.00 0.00 54.13 53.42 1weq s LEU 9 Cb -0.03 -1.91 0.01 0.00 -2.05 0.00 0.00 46.19 42.21 1weq s LEU 9 CO -0.02 -1.21 0.02 -1.61 -0.55 0.00 0.00 176.35 172.97 1weq s GLU 10 N -4.61 3.02 0.35 1.48 2.02 -1.26 -5.09 118.70 114.61 1weq s GLU 10 Ca 0.60 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 54.44 1weq s GLU 10 Cb -0.07 -3.20 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 1weq s GLU 10 CO 0.38 -0.41 1.21 -1.25 0.02 0.00 0.00 175.26 175.21 1weq s PRO 11 N 1.43 4.30 -1.16 0.39 0.04 -1.26 -3.67 135.00 135.08 1weq s PRO 11 Ca 0.02 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1weq s PRO 11 Cb -0.17 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.42 1weq s PRO 11 CO -0.01 -0.15 0.97 0.41 0.04 0.00 0.00 177.00 178.26 1weq n GLY 12 N 0.83 -0.38 3.14 0.56 0.00 -1.26 -4.97 105.19 103.11 1weq n GLY 12 Ca 0.01 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1weq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weq s ALA 13 N -3.35 3.53 0.24 4.61 0.00 -1.24 -5.04 121.76 120.51 1weq s ALA 13 Ca 0.02 -3.04 -0.22 0.00 0.00 0.00 0.00 51.96 48.73 1weq s ALA 13 Cb -0.00 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1weq s ALA 13 CO 0.71 -2.04 0.70 0.12 0.00 0.00 0.00 175.76 175.25 1weq s PHE 14 N 0.37 -0.28 0.25 0.00 5.36 -1.26 -5.12 117.98 117.30 1weq s PHE 14 Ca 0.14 -0.11 -0.15 0.00 -0.96 0.00 0.00 56.93 55.85 1weq s PHE 14 Cb -0.20 0.67 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 1weq s PHE 14 CO -0.04 -1.12 0.54 -1.12 -1.46 0.00 0.00 175.22 172.02 1weq s SER 15 N -2.87 -0.14 0.44 6.13 0.01 -1.26 -5.18 113.70 110.83 1weq s SER 15 Ca 0.08 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 56.59 1weq s SER 15 Cb -0.05 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.83 1weq s SER 15 CO 0.02 -1.20 0.57 -1.83 0.41 0.00 0.00 173.24 171.22 1weq s GLU 16 N -3.99 2.72 -0.06 12.44 1.03 -1.26 -5.13 118.70 124.45 1weq s GLU 16 Ca 0.19 -1.34 0.02 0.00 0.03 0.00 0.00 54.97 53.87 1weq s GLU 16 Cb -0.02 -2.69 0.01 0.00 -0.80 0.00 0.00 34.13 30.63 1weq s GLU 16 CO 0.08 -0.35 -0.11 -0.51 -1.33 0.00 0.00 175.26 173.05 1weq s LEU 17 N -4.37 1.60 0.12 1.83 1.43 -1.26 -5.05 118.68 112.99 1weq s LEU 17 Ca 0.55 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.14 1weq s LEU 17 Cb -0.09 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1weq s LEU 17 CO 0.33 0.02 1.65 1.88 0.23 0.00 0.00 176.35 180.46 1weq h TYR 18 N 6.95 -0.56 -3.29 0.29 -1.99 -2.07 -3.43 116.97 112.87 1weq h TYR 18 Ca -0.33 0.02 -0.43 0.00 2.00 0.00 0.00 58.73 59.99 1weq h TYR 18 Cb 1.18 0.25 0.21 0.00 2.00 0.00 0.00 36.73 40.36 1weq h TYR 18 CO 0.49 -0.30 0.02 -0.65 -0.00 0.00 0.00 178.16 177.72 1weq s GLN 19 N -6.10 -0.97 0.33 4.88 -0.21 -1.26 -4.91 119.66 111.42 1weq s GLN 19 Ca -0.15 0.71 -0.29 0.00 0.02 0.00 0.00 55.36 55.65 1weq s GLN 19 Cb 0.09 -1.56 -0.11 0.00 1.00 0.00 0.00 33.01 32.43 1weq s GLN 19 CO 0.66 -3.73 1.52 0.50 -2.12 0.00 0.00 175.29 172.13 1weq s ARG 20 N -4.55 4.13 -0.51 2.91 3.00 -1.26 -4.87 118.95 117.79 1weq s ARG 20 Ca 0.68 2.55 -0.27 0.00 -1.00 0.00 0.00 55.73 57.69 1weq s ARG 20 Cb -0.24 -3.00 -0.03 0.00 0.00 0.00 0.00 34.95 31.68 1weq s ARG 20 CO 0.64 -0.56 1.94 -0.47 0.00 0.00 0.00 175.30 176.85 1weq s TYR 21 N -0.58 1.60 -0.38 5.12 6.14 -1.26 -4.91 117.35 123.08 1weq s TYR 21 Ca 0.57 0.87 0.01 0.00 0.64 0.00 0.00 57.07 59.16 1weq s TYR 21 Cb -0.47 -4.01 0.13 0.00 0.42 0.00 0.00 41.96 38.03 1weq s TYR 21 CO 0.55 -2.54 0.20 1.03 0.64 0.00 0.00 175.55 175.44 1weq s ARG 22 N 6.87 0.84 -0.24 4.97 0.52 -1.26 -4.64 118.95 126.00 1weq s ARG 22 Ca 0.76 -1.52 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1weq s ARG 22 Cb -0.16 -1.78 0.13 0.00 0.52 0.00 0.00 34.95 33.66 1weq s ARG 22 CO 0.25 -1.15 0.42 -1.58 0.02 0.00 0.00 175.30 173.26 1weq s HIS 23 N 0.91 -0.94 -0.15 -0.53 2.46 -1.24 -4.67 115.29 111.13 1weq s HIS 23 Ca 0.16 1.16 -0.35 0.00 0.47 0.00 0.00 55.06 56.51 1weq s HIS 23 Cb -0.23 0.18 -0.12 0.00 -0.13 0.00 0.00 32.58 32.29 1weq s HIS 23 CO -0.04 -0.68 1.91 0.00 -2.47 0.00 0.00 174.74 173.46 1weq n ASP 25 N 7.05 1.71 -4.93 0.00 8.00 -1.23 -4.99 116.55 122.15 1weq n ASP 25 Ca 0.25 -3.34 -0.26 0.00 0.71 0.00 0.00 54.79 52.16 1weq n ASP 25 Cb 0.27 -0.46 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1weq n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1weq s ALA 26 N -2.40 3.27 -0.00 2.24 0.00 -1.26 -4.75 121.76 118.85 1weq s ALA 26 Ca 0.37 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1weq s ALA 26 Cb 0.38 -2.55 -0.18 0.00 0.00 0.00 0.00 23.12 20.76 1weq s ALA 26 CO -0.09 -1.11 1.29 -1.00 0.00 0.00 0.00 175.76 174.85 1weq h PRO 27 N -0.42 0.12 -4.74 0.00 0.13 -1.94 -3.45 132.00 121.69 1weq h PRO 27 Ca -0.44 -0.06 -0.41 0.00 -0.87 0.00 0.00 66.00 64.21 1weq h PRO 27 Cb 1.30 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.14 1weq h PRO 27 CO 0.60 0.57 -0.78 0.42 -0.23 0.00 0.00 178.00 178.57 1weq s ILE 28 N -4.27 0.76 -0.03 -3.56 -1.09 -1.24 -5.14 121.20 106.62 1weq s ILE 28 Ca -0.15 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 1weq s ILE 28 Cb 0.03 -0.65 -0.03 0.00 -1.58 0.00 0.00 42.46 40.23 1weq s ILE 28 CO 0.70 0.22 -0.15 0.00 -1.23 0.00 0.00 174.94 174.48 1weq n LEU 30 N 2.17 1.34 -4.60 0.00 4.77 -1.26 -4.97 117.00 114.45 1weq n LEU 30 Ca -0.17 -0.03 -0.47 0.00 -0.03 0.00 0.00 56.01 55.31 1weq n LEU 30 Cb 0.52 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1weq n LEU 30 CO 0.26 0.45 1.68 0.00 -1.33 0.00 0.00 177.39 178.45 1weq n TYR 31 N -2.58 2.08 -0.28 -1.77 9.36 -1.26 -4.82 117.16 117.88 1weq n TYR 31 Ca -0.18 -0.02 0.04 0.00 3.32 0.00 0.00 57.90 61.06 1weq n TYR 31 Cb 0.78 -2.67 0.10 0.00 -0.63 0.00 0.00 39.34 36.92 1weq n TYR 31 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1weq n GLU 32 N 7.71 -0.08 0.07 2.98 4.07 -1.26 0.05 120.64 134.18 1weq n GLU 32 Ca 0.29 1.22 -0.16 0.00 -0.06 0.00 0.00 57.16 58.45 1weq n GLU 32 Cb 0.34 -1.82 -0.10 0.00 -0.06 0.00 0.00 31.44 29.79 1weq n GLU 32 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1weq h GLN 33 N 0.00 -0.67 0.00 5.31 5.75 -1.97 -3.45 115.11 120.08 1weq h GLN 33 Ca 0.37 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1weq h GLN 33 Cb 0.56 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1weq h GLN 33 CO -0.81 -0.44 0.00 0.41 -2.65 0.00 0.00 178.83 175.34 1weq n GLY 34 N -1.47 2.37 1.43 2.39 0.00 0.11 -4.99 105.19 105.03 1weq n GLY 34 Ca -0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1weq n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1weq n ARG 35 N 0.00 -2.20 -0.69 1.61 1.85 -1.26 -4.78 116.66 111.19 1weq n ARG 35 Ca 0.00 -0.70 -0.07 0.00 -1.00 0.00 0.00 57.85 56.08 1weq n ARG 35 Cb 0.00 -0.70 -0.09 0.00 -1.05 0.00 0.00 32.46 30.61 1weq n ARG 35 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1weq n ASP 36 N -3.87 4.42 -4.52 2.89 5.75 -1.26 -4.71 116.55 115.25 1weq n ASP 36 Ca 0.06 -2.27 -0.39 0.00 -0.01 0.00 0.00 54.79 52.18 1weq n ASP 36 Cb 0.25 -1.10 -0.11 0.00 -1.03 0.00 0.00 41.12 39.12 1weq n ASP 36 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1weq s SER 37 N 2.11 5.92 0.25 -1.12 1.04 -1.26 -4.89 113.70 115.74 1weq s SER 37 Ca 0.36 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1weq s SER 37 Cb 0.17 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 1weq s SER 37 CO 0.00 -0.18 0.09 -0.36 0.98 0.00 0.00 173.24 173.77 1weq s PHE 38 N 1.71 1.50 0.26 5.02 0.40 -1.26 -4.94 117.98 120.67 1weq s PHE 38 Ca 0.06 -1.17 0.10 0.00 -0.60 0.00 0.00 56.93 55.32 1weq s PHE 38 Cb -0.17 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1weq s PHE 38 CO 0.10 -0.33 -0.05 -2.00 0.70 0.00 0.00 175.22 173.63 1weq s GLU 39 N -4.02 2.14 0.27 0.44 2.12 0.17 -4.96 118.70 114.85 1weq s GLU 39 Ca 0.37 -1.49 0.08 0.00 0.36 0.00 0.00 54.97 54.29 1weq s GLU 39 Cb 0.08 -2.07 0.82 0.00 0.26 0.00 0.00 34.13 33.21 1weq s GLU 39 CO 0.13 0.36 1.25 -3.47 -0.54 0.00 0.00 175.26 172.99 1weq n ASP 40 N -0.77 0.08 -3.68 -1.70 2.03 -1.26 -4.44 116.55 106.80 1weq n ASP 40 Ca -0.06 1.34 -0.07 0.00 0.52 0.00 0.00 54.79 56.51 1weq n ASP 40 Cb 0.59 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1weq n ASP 40 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1weq s GLU 41 N -5.49 1.39 0.00 -0.67 -1.05 -1.26 -4.91 118.70 106.71 1weq s GLU 41 Ca -0.09 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1weq s GLU 41 Cb 0.25 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.46 1weq s GLU 41 CO 0.62 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.61 1weq n GLY 42 N -0.42 0.25 0.39 -3.83 0.00 -1.26 -4.68 105.19 95.64 1weq n GLY 42 Ca -0.08 -2.30 0.20 0.00 0.00 0.00 0.00 46.02 43.84 1weq n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1weq h ARG 43 N 8.33 0.07 -1.49 1.61 0.11 -2.01 -0.84 114.38 120.16 1weq h ARG 43 Ca 0.00 -0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.35 1weq h ARG 43 Cb 0.00 -0.01 -0.28 0.00 1.11 0.00 0.00 29.97 30.78 1weq h ARG 43 CO 0.00 0.04 0.97 0.91 0.10 0.00 0.00 179.97 181.99 1weq n TRP 44 N -4.38 3.11 -3.77 4.08 5.03 -1.26 -2.65 117.44 117.59 1weq n TRP 44 Ca 0.11 -2.68 -0.37 0.00 3.03 0.00 0.00 57.50 57.59 1weq n TRP 44 Cb 0.63 -1.32 -0.07 0.00 -1.03 0.00 0.00 31.31 29.52 1weq n TRP 44 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 1weq s ARG 45 N -3.95 3.74 -0.09 -0.99 1.70 -0.32 -0.66 118.95 118.37 1weq s ARG 45 Ca 0.59 -0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 55.48 1weq s ARG 45 Cb 0.48 -3.27 -0.04 0.00 -0.57 0.00 0.00 34.95 31.55 1weq s ARG 45 CO -0.21 0.61 1.46 -1.17 -1.08 0.00 0.00 175.30 174.91 1weq s LEU 46 N -0.58 4.26 -0.21 -1.89 2.96 -1.26 -2.66 118.68 119.30 1weq s LEU 46 Ca 0.14 1.99 -0.02 0.00 -0.22 0.00 0.00 54.13 56.02 1weq s LEU 46 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1weq s LEU 46 CO 0.04 -0.83 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.52 1weq s ILE 47 N 3.61 2.97 -0.00 6.68 1.01 0.49 -4.93 121.20 131.03 1weq s ILE 47 Ca 0.64 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1weq s ILE 47 Cb -0.28 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 1weq s ILE 47 CO 0.23 0.43 0.53 -0.76 0.00 0.00 0.00 174.94 175.37 1weq s LEU 48 N 1.41 4.44 0.95 2.97 1.43 -1.26 -2.61 118.68 126.01 1weq s LEU 48 Ca 0.05 1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1weq s LEU 48 Cb -0.14 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1weq s LEU 48 CO -0.06 0.18 -0.03 0.00 0.23 0.00 0.00 176.35 176.67 1weq n ALA 50 N -3.14 1.92 0.19 0.00 0.00 -0.85 -3.78 120.51 114.86 1weq n ALA 50 Ca 0.04 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1weq n ALA 50 Cb 0.54 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 1weq n ALA 50 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1weq h THR 51 N -0.26 0.00 0.00 0.00 2.02 -1.93 -3.37 112.91 109.37 1weq h THR 51 Ca -0.32 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.56 1weq h THR 51 Cb 1.37 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1weq h THR 51 CO -0.13 0.00 -2.06 0.00 0.37 0.00 0.00 175.52 173.70 1weq n GLY 53 N 2.26 0.88 0.89 0.00 0.00 -1.25 -4.99 105.19 102.98 1weq n GLY 53 Ca -0.35 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1weq n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1weq n SER 54 N 1.02 1.48 -3.80 1.61 7.64 -1.26 -4.83 113.62 115.47 1weq n SER 54 Ca 0.00 -3.28 -0.10 0.00 1.01 0.00 0.00 58.87 56.49 1weq n SER 54 Cb 0.47 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 1weq n SER 54 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1weq s HIS 55 N -2.19 0.03 -0.18 1.43 3.76 -1.26 -5.02 115.29 111.86 1weq s HIS 55 Ca 0.37 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1weq s HIS 55 Cb 0.38 0.02 0.08 0.00 1.11 0.00 0.00 32.58 34.16 1weq s HIS 55 CO -0.10 -0.52 0.40 0.20 -0.85 0.00 0.00 174.74 173.86 1weq s GLY 56 N -2.47 -0.32 0.20 -2.22 0.00 -1.25 -2.45 107.32 98.80 1weq s GLY 56 Ca -0.00 1.45 -0.11 0.00 0.00 0.00 0.00 44.72 46.06 1weq s GLY 56 CO -0.07 2.14 0.38 -1.08 0.00 0.00 0.00 173.10 174.46 1weq s THR 57 N 2.22 0.03 1.26 0.90 -1.32 -1.07 -2.62 115.64 115.03 1weq s THR 57 Ca -0.04 -1.35 -0.17 0.00 -1.21 0.00 0.00 61.69 58.92 1weq s THR 57 Cb -0.11 -1.98 0.31 0.00 -1.51 0.00 0.00 72.50 69.22 1weq s THR 57 CO -0.12 -0.15 1.00 -1.00 -2.21 0.00 0.00 174.62 172.14 1weq s HIS 58 N -3.99 0.61 -0.01 9.09 0.09 -1.26 -0.38 115.29 119.44 1weq s HIS 58 Ca 0.19 0.85 -0.01 0.00 -0.00 0.00 0.00 55.06 56.09 1weq s HIS 58 Cb 0.02 -3.08 -0.01 0.00 -0.00 0.00 0.00 32.58 29.51 1weq s HIS 58 CO 0.04 -4.23 0.18 -0.09 -0.00 0.00 0.00 174.74 170.63 1weq h ARG 59 N -2.87 -0.04 -0.59 1.40 1.12 -1.27 -3.23 114.38 108.91 1weq h ARG 59 Ca -0.53 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.35 1weq h ARG 59 Cb 1.33 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.27 1weq h ARG 59 CO 0.42 -0.03 0.39 -0.44 -3.11 0.00 0.00 179.97 177.20 1weq h ASP 60 N -0.21 0.67 -0.81 -3.80 3.32 -1.88 -1.83 116.42 111.89 1weq h ASP 60 Ca -0.00 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.18 1weq h ASP 60 Cb 0.03 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1weq h ASP 60 CO 0.01 0.49 0.53 0.00 -1.72 0.00 0.00 179.24 178.55 1weq n SER 62 N -4.51 2.48 -4.28 0.00 2.88 -0.69 -3.73 113.62 105.78 1weq n SER 62 Ca 0.16 -2.26 -0.31 0.00 -1.33 0.00 0.00 58.87 55.12 1weq n SER 62 Cb 0.52 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.33 1weq n SER 62 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1weq n SER 63 N 0.14 0.60 -4.15 -3.46 2.88 0.90 -4.92 113.62 105.61 1weq n SER 63 Ca 0.09 -1.23 -0.15 0.00 -1.33 0.00 0.00 58.87 56.25 1weq n SER 63 Cb 0.58 -1.54 0.06 0.00 -0.75 0.00 0.00 64.21 62.55 1weq n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1weq n LEU 64 N -4.41 0.00 -4.79 2.46 4.77 -1.24 -5.08 117.00 108.72 1weq n LEU 64 Ca -0.27 -1.82 -0.22 0.00 -0.03 0.00 0.00 56.01 53.67 1weq n LEU 64 Cb 0.65 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1weq n LEU 64 CO 0.84 -0.69 -0.18 -0.13 -1.33 0.00 0.00 177.39 175.90 1weq s ARG 65 N -4.02 2.70 0.00 3.23 3.00 -1.26 -4.87 118.95 117.74 1weq s ARG 65 Ca 0.46 -1.23 0.11 0.00 0.00 0.00 0.00 55.73 55.06 1weq s ARG 65 Cb -0.03 -2.43 0.64 0.00 0.00 0.00 0.00 34.95 33.13 1weq s ARG 65 CO 0.29 0.29 1.08 -0.35 0.00 0.00 0.00 175.30 176.61 1weq n PRO 66 N -1.17 0.49 -0.04 3.54 -0.04 -1.26 -2.90 135.00 133.62 1weq n PRO 66 Ca -0.06 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1weq n PRO 66 Cb 0.59 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1weq n PRO 66 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1weq n ASN 67 N -0.85 3.06 -4.56 3.54 5.15 -1.26 -5.03 115.26 115.32 1weq n ASN 67 Ca 0.08 -0.02 -0.61 0.00 -0.60 0.00 0.00 54.58 53.43 1weq n ASN 67 Cb 0.04 -0.12 -0.08 0.00 -0.53 0.00 0.00 39.78 39.08 1weq n ASN 67 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1weq n SER 68 N -2.79 0.35 -0.11 1.20 2.88 -1.14 -4.88 113.62 109.14 1weq n SER 68 Ca -0.13 1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 58.36 1weq n SER 68 Cb 0.63 -0.92 -0.12 0.00 -0.75 0.00 0.00 64.21 63.04 1weq n SER 68 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1weq n LYS 69 N 2.13 0.64 -4.40 -1.46 2.85 -1.26 -4.89 118.16 111.78 1weq n LYS 69 Ca 0.22 0.24 -0.31 0.00 -1.05 0.00 0.00 58.31 57.42 1weq n LYS 69 Cb 0.05 -1.57 -0.11 0.00 -0.65 0.00 0.00 35.03 32.76 1weq n LYS 69 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1weq s LYS 70 N -2.51 2.25 0.15 -1.58 -2.85 -1.26 -5.08 119.74 108.86 1weq s LYS 70 Ca -0.33 -0.92 0.09 0.00 -1.00 0.00 0.00 55.97 53.80 1weq s LYS 70 Cb 0.10 -2.34 -0.04 0.00 -2.06 0.00 0.00 37.83 33.49 1weq s LYS 70 CO 0.60 0.54 -0.19 -0.46 0.10 0.00 0.00 175.35 175.94 1weq s TRP 71 N -1.08 1.83 -0.07 1.78 -0.00 -1.26 -5.03 118.94 115.11 1weq s TRP 71 Ca 0.18 -0.45 0.05 0.00 -0.00 0.00 0.00 56.10 55.88 1weq s TRP 71 Cb -0.11 -0.93 -0.01 0.00 -0.00 0.00 0.00 33.47 32.42 1weq s TRP 71 CO 0.10 0.31 -0.22 -1.21 -0.00 0.00 0.00 176.95 175.92 1weq s GLU 72 N -2.59 2.69 1.20 5.86 2.02 -1.26 -2.01 118.70 124.60 1weq s GLU 72 Ca 0.14 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 54.11 1weq s GLU 72 Cb -0.07 -2.25 0.29 0.00 0.10 0.00 0.00 34.13 32.20 1weq s GLU 72 CO 0.06 0.37 1.03 0.00 0.02 0.00 0.00 175.26 176.74 1weq h ASN 74 N -2.65 -1.07 -0.99 0.00 -1.24 -1.91 0.19 115.58 107.92 1weq h ASN 74 Ca -0.54 0.04 0.35 0.00 0.71 0.00 0.00 56.30 56.87 1weq h ASN 74 Cb 1.33 0.28 -0.17 0.00 0.73 0.00 0.00 38.32 40.49 1weq h ASN 74 CO 0.45 -0.74 0.44 -0.08 -1.29 0.00 0.00 177.43 176.20 1weq h GLU 75 N -1.22 0.11 -0.03 6.67 4.57 -1.98 0.25 114.58 122.95 1weq h GLU 75 Ca -0.12 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1weq h GLU 75 Cb 0.94 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1weq h GLU 75 CO 0.19 0.07 -0.15 0.00 -1.18 0.00 0.00 179.01 177.94 1weq n LEU 77 N -4.61 2.21 -4.59 0.00 4.77 0.87 -4.85 117.00 110.81 1weq n LEU 77 Ca -0.09 0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 1weq n LEU 77 Cb 0.42 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 1weq n LEU 77 CO 0.37 -2.56 1.49 -2.16 -1.33 0.00 0.00 177.39 173.21 1weq s PRO 78 N -3.08 3.22 0.09 3.23 0.04 -1.26 -4.92 135.00 132.31 1weq s PRO 78 Ca 0.69 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 1weq s PRO 78 Cb -0.34 -4.21 -0.07 0.00 0.04 0.00 0.00 34.50 29.92 1weq s PRO 78 CO 0.54 -2.00 0.70 0.00 0.04 0.00 0.00 177.00 176.28 1weq s ALA 79 N 7.09 3.47 -0.96 8.56 0.00 -1.26 -4.96 121.76 133.70 1weq s ALA 79 Ca 0.73 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1weq s ALA 79 Cb -0.19 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1weq s ALA 79 CO 0.31 0.24 2.08 0.45 0.00 0.00 0.00 175.76 178.83 1weq s SER 80 N -0.70 4.61 0.00 0.00 0.15 -1.26 -4.46 113.70 112.04 1weq s SER 80 Ca 0.34 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1weq s SER 80 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1weq s SER 80 CO 0.22 -3.33 0.00 0.61 1.20 0.00 0.00 173.24 171.94 1weq n GLY 81 N 6.55 2.24 0.06 9.45 0.00 -1.26 -4.99 105.19 117.25 1weq n GLY 81 Ca 0.43 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1weq n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weq h PRO 82 N 0.00 -0.03 -6.08 1.61 0.13 -2.04 -3.45 132.00 122.15 1weq h PRO 82 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1weq h PRO 82 Cb 0.00 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.03 1weq h PRO 82 CO 0.00 0.45 -0.63 -1.12 -0.23 0.00 0.00 178.00 176.47 1weq s SER 83 N -5.65 4.22 -0.74 1.44 0.01 -1.26 -4.73 113.70 106.99 1weq s SER 83 Ca -0.16 -0.92 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 1weq s SER 83 Cb 0.02 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1weq s SER 83 CO 0.66 -0.17 0.64 -0.24 0.41 0.00 0.00 173.24 174.54 1weq n SER 84 N -0.92 -3.89 0.00 2.44 2.88 -1.26 -5.17 113.62 107.69 1weq n SER 84 Ca -0.05 -0.31 0.16 0.00 -1.33 0.00 0.00 58.87 57.34 1weq n SER 84 Cb 0.61 -3.06 0.93 0.00 -0.75 0.00 0.00 64.21 61.94 1weq n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42