#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 -0.04 0.49 1.61 0.15 -1.26 -5.19 113.70 109.47 1weq s SER 2 Ca 0.00 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.23 1weq s SER 2 Cb 0.00 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1weq s SER 2 CO 0.00 -0.70 0.03 -0.55 1.20 0.00 0.00 173.24 173.21 1weq s SER 3 N -3.35 3.88 0.00 5.45 0.15 -1.26 -5.17 113.70 113.40 1weq s SER 3 Ca 0.21 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1weq s SER 3 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1weq s SER 3 CO 0.02 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1weq n GLY 4 N -1.21 4.43 3.36 9.45 0.00 -1.26 -5.19 105.19 114.77 1weq n GLY 4 Ca -0.17 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1weq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weq s SER 5 N -0.20 0.05 -0.21 1.61 0.15 -1.26 -5.18 113.70 108.66 1weq s SER 5 Ca 0.00 -0.99 -0.27 0.00 0.70 0.00 0.00 55.95 55.39 1weq s SER 5 Cb 0.00 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.85 1weq s SER 5 CO 0.00 -0.93 0.82 -0.55 1.20 0.00 0.00 173.24 173.78 1weq s SER 6 N -3.01 -0.61 0.57 5.45 0.15 -1.26 -5.17 113.70 109.82 1weq s SER 6 Ca 0.22 1.02 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 1weq s SER 6 Cb 0.03 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.29 1weq s SER 6 CO 0.04 -0.32 0.94 -0.83 1.20 0.00 0.00 173.24 174.27 1weq s GLY 7 N -0.20 1.59 -0.13 9.45 0.00 -1.26 -5.08 107.32 111.70 1weq s GLY 7 Ca -0.02 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.41 1weq s GLY 7 CO 0.01 -0.07 -0.21 -0.54 0.00 0.00 0.00 173.10 172.29 1weq s GLU 8 N -5.02 3.07 0.05 2.90 8.01 -1.26 -5.12 118.70 121.33 1weq s GLU 8 Ca 0.52 -0.84 0.02 0.00 0.01 0.00 0.00 54.97 54.68 1weq s GLU 8 Cb -0.11 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.25 1weq s GLU 8 CO 0.50 0.05 -0.07 -0.51 0.01 0.00 0.00 175.26 175.24 1weq s LEU 9 N 0.67 2.31 -0.20 1.80 1.43 -1.26 -5.14 118.68 118.28 1weq s LEU 9 Ca -0.10 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1weq s LEU 9 Cb -0.16 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 45.96 1weq s LEU 9 CO 0.02 -0.28 -0.13 -1.61 0.23 0.00 0.00 176.35 174.58 1weq s GLU 10 N -2.08 3.15 0.79 1.70 0.41 -1.26 -5.12 118.70 116.30 1weq s GLU 10 Ca -0.06 -0.75 -0.11 0.00 -0.41 0.00 0.00 54.97 53.65 1weq s GLU 10 Cb -0.06 -2.78 0.07 0.00 -1.78 0.00 0.00 34.13 29.58 1weq s GLU 10 CO -0.01 -0.21 1.09 -1.25 -0.49 0.00 0.00 175.26 174.39 1weq s PRO 11 N 1.37 2.09 0.00 0.39 0.04 -1.26 -4.20 135.00 133.44 1weq s PRO 11 Ca 0.05 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1weq s PRO 11 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1weq s PRO 11 CO -0.08 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.62 1weq n GLY 12 N -1.18 1.50 3.97 0.56 0.00 -1.26 -4.75 105.19 104.03 1weq n GLY 12 Ca 0.09 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1weq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weq n ALA 13 N 0.11 -1.14 -1.99 4.61 0.00 -1.26 -4.80 120.51 116.03 1weq n ALA 13 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1weq n ALA 13 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 1weq n ALA 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1weq s PHE 14 N -2.89 2.88 0.96 0.00 0.40 -1.26 -5.00 117.98 113.06 1weq s PHE 14 Ca 0.61 0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 57.40 1weq s PHE 14 Cb -0.36 -3.88 0.17 0.00 0.51 0.00 0.00 43.02 39.47 1weq s PHE 14 CO 0.75 -3.30 1.21 -1.12 0.70 0.00 0.00 175.22 173.45 1weq s SER 15 N 1.58 3.15 0.92 1.36 0.01 -1.26 -5.05 113.70 114.42 1weq s SER 15 Ca 0.70 0.63 -0.12 0.00 1.31 0.00 0.00 55.95 58.47 1weq s SER 15 Cb -0.40 -0.95 0.15 0.00 0.21 0.00 0.00 66.02 65.02 1weq s SER 15 CO 0.31 -2.74 1.10 -0.70 0.41 0.00 0.00 173.24 171.62 1weq s GLU 16 N -5.57 1.03 0.23 12.44 2.12 -1.26 -5.08 118.70 122.60 1weq s GLU 16 Ca 0.68 0.62 -0.00 0.00 0.36 0.00 0.00 54.97 56.63 1weq s GLU 16 Cb -0.09 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 1weq s GLU 16 CO 0.53 -2.35 0.18 -0.51 -0.54 0.00 0.00 175.26 172.57 1weq s LEU 17 N -6.24 1.22 0.01 2.70 1.43 -1.26 -5.07 118.68 111.47 1weq s LEU 17 Ca 0.64 -1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 1weq s LEU 17 Cb -0.17 0.51 -0.20 0.00 0.03 0.00 0.00 46.19 46.35 1weq s LEU 17 CO 0.56 -0.91 1.18 0.10 0.23 0.00 0.00 176.35 177.51 1weq h TYR 18 N 2.50 0.52 -4.27 0.29 -0.00 -2.07 -3.46 116.97 110.48 1weq h TYR 18 Ca -0.33 -0.24 -0.51 0.00 -0.00 0.00 0.00 58.73 57.65 1weq h TYR 18 Cb 1.25 -0.08 0.14 0.00 -0.00 0.00 0.00 36.73 38.04 1weq h TYR 18 CO 0.63 1.00 0.30 -0.65 -0.00 0.00 0.00 178.16 179.44 1weq s GLN 19 N -3.57 2.05 0.38 0.10 -0.21 -1.26 -4.95 119.66 112.20 1weq s GLN 19 Ca -0.14 1.13 -0.26 0.00 0.02 0.00 0.00 55.36 56.11 1weq s GLN 19 Cb 0.04 -1.88 -0.11 0.00 1.00 0.00 0.00 33.01 32.06 1weq s GLN 19 CO 0.79 -1.78 1.18 -2.13 -2.12 0.00 0.00 175.29 171.23 1weq n ARG 20 N -3.61 1.76 -2.74 2.91 3.00 -1.26 -4.91 116.66 111.81 1weq n ARG 20 Ca 0.09 0.62 -0.43 0.00 -0.00 0.00 0.00 57.85 58.13 1weq n ARG 20 Cb 0.53 -2.21 -0.03 0.00 0.00 0.00 0.00 32.46 30.75 1weq n ARG 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1weq s TYR 21 N -1.17 2.93 -0.40 -0.14 6.14 -1.26 -4.98 117.35 118.47 1weq s TYR 21 Ca 0.60 0.61 0.01 0.00 0.64 0.00 0.00 57.07 58.93 1weq s TYR 21 Cb -0.56 -4.03 0.13 0.00 0.42 0.00 0.00 41.96 37.91 1weq s TYR 21 CO 0.59 -1.08 0.20 1.03 0.64 0.00 0.00 175.55 176.93 1weq s ARG 22 N 3.91 1.11 -0.25 4.97 0.52 -1.26 -4.49 118.95 123.46 1weq s ARG 22 Ca 0.41 -1.74 -0.03 0.00 -0.52 0.00 0.00 55.73 53.85 1weq s ARG 22 Cb -0.10 -2.22 0.14 0.00 0.52 0.00 0.00 34.95 33.29 1weq s ARG 22 CO 0.26 -1.12 0.43 -1.01 0.02 0.00 0.00 175.30 173.88 1weq s HIS 23 N 0.71 -0.99 -0.07 -0.53 3.76 -1.20 -4.64 115.29 112.33 1weq s HIS 23 Ca 0.16 1.10 -0.36 0.00 -0.15 0.00 0.00 55.06 55.81 1weq s HIS 23 Cb -0.23 0.17 -0.13 0.00 1.11 0.00 0.00 32.58 33.50 1weq s HIS 23 CO -0.05 -0.73 1.76 0.00 -0.85 0.00 0.00 174.74 174.87 1weq n ASP 25 N 5.52 1.23 -4.92 0.00 9.92 -1.25 -4.99 116.55 122.06 1weq n ASP 25 Ca 0.22 -2.64 -0.26 0.00 -0.53 0.00 0.00 54.79 51.57 1weq n ASP 25 Cb 0.25 -0.38 0.06 0.00 -0.64 0.00 0.00 41.12 40.41 1weq n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1weq s ALA 26 N -1.10 3.19 -0.02 2.24 0.00 -1.26 -4.94 121.76 119.86 1weq s ALA 26 Ca 0.35 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 1weq s ALA 26 Cb 0.37 -2.62 -0.19 0.00 0.00 0.00 0.00 23.12 20.67 1weq s ALA 26 CO -0.13 -1.13 1.22 -1.00 0.00 0.00 0.00 175.76 174.72 1weq h PRO 27 N -0.47 -0.06 -5.46 0.00 0.13 -1.93 -3.45 132.00 120.76 1weq h PRO 27 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 1weq h PRO 27 Cb 1.29 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.13 1weq h PRO 27 CO 0.61 0.40 -0.84 0.42 -0.23 0.00 0.00 178.00 178.36 1weq s ILE 28 N -4.20 1.52 -0.18 -3.56 -1.09 -1.22 -5.12 121.20 107.35 1weq s ILE 28 Ca -0.15 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1weq s ILE 28 Cb 0.02 -1.29 0.01 0.00 -1.58 0.00 0.00 42.46 39.61 1weq s ILE 28 CO 0.64 0.43 -0.18 0.00 -1.23 0.00 0.00 174.94 174.61 1weq n LEU 30 N 4.49 0.78 -4.57 0.00 4.77 -1.26 -4.89 117.00 116.32 1weq n LEU 30 Ca -0.20 0.12 -0.44 0.00 -0.03 0.00 0.00 56.01 55.45 1weq n LEU 30 Cb 0.51 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1weq n LEU 30 CO 0.27 0.54 1.85 0.00 -1.33 0.00 0.00 177.39 178.72 1weq n TYR 31 N -2.94 1.89 -0.29 -1.77 9.36 -1.26 -4.83 117.16 117.31 1weq n TYR 31 Ca -0.30 -0.05 0.04 0.00 3.32 0.00 0.00 57.90 60.91 1weq n TYR 31 Cb 1.10 -2.69 0.11 0.00 -0.63 0.00 0.00 39.34 37.22 1weq n TYR 31 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1weq n GLU 32 N 8.68 -0.08 0.00 2.98 -0.58 -1.26 -0.38 120.64 129.99 1weq n GLU 32 Ca 0.32 1.25 -0.10 0.00 -0.42 0.00 0.00 57.16 58.21 1weq n GLU 32 Cb 0.41 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.34 1weq n GLU 32 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1weq h GLN 33 N 0.00 -0.39 0.00 3.49 5.75 -1.98 -3.45 115.11 118.54 1weq h GLN 33 Ca 0.38 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1weq h GLN 33 Cb 0.58 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1weq h GLN 33 CO -0.83 -0.26 0.00 0.41 -2.65 0.00 0.00 178.83 175.51 1weq n GLY 34 N -1.29 1.68 1.51 2.39 0.00 0.49 -4.98 105.19 104.98 1weq n GLY 34 Ca -0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.73 -0.71 1.61 1.85 -1.26 -4.68 116.66 110.75 1weq n ARG 35 Ca 0.00 -0.62 -0.06 0.00 -1.00 0.00 0.00 57.85 56.18 1weq n ARG 35 Cb 0.00 -0.86 -0.08 0.00 -1.05 0.00 0.00 32.46 30.46 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 -3.64 4.93 -4.50 2.89 5.75 -1.26 -4.68 116.55 116.04 1weq n ASP 36 Ca 0.06 -2.37 -0.41 0.00 -0.01 0.00 0.00 54.79 52.06 1weq n ASP 36 Cb 0.25 -1.19 -0.10 0.00 -1.03 0.00 0.00 41.12 39.05 1weq n ASP 36 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1weq s SER 37 N 2.04 6.08 0.25 -1.12 0.01 -1.26 -4.91 113.70 114.78 1weq s SER 37 Ca 0.32 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1weq s SER 37 Cb 0.15 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 1weq s SER 37 CO 0.00 -0.32 0.08 -0.36 0.41 0.00 0.00 173.24 173.05 1weq s PHE 38 N 1.70 1.51 0.25 2.43 0.40 -1.26 -4.94 117.98 118.09 1weq s PHE 38 Ca 0.06 -1.14 0.10 0.00 -0.60 0.00 0.00 56.93 55.35 1weq s PHE 38 Cb -0.18 -0.89 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 1weq s PHE 38 CO 0.10 -0.30 -0.10 -1.21 0.70 0.00 0.00 175.22 174.41 1weq s GLU 39 N -4.01 1.99 0.42 0.44 2.02 0.10 -4.86 118.70 114.81 1weq s GLU 39 Ca 0.36 -1.53 0.11 0.00 0.02 0.00 0.00 54.97 53.93 1weq s GLU 39 Cb 0.08 -2.00 0.92 0.00 0.10 0.00 0.00 34.13 33.22 1weq s GLU 39 CO 0.12 0.36 2.00 0.22 0.02 0.00 0.00 175.26 177.98 1weq h ASP 40 N 2.26 0.21 -3.48 -0.19 1.82 -2.00 -3.36 116.42 111.67 1weq h ASP 40 Ca -0.43 -0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 55.93 1weq h ASP 40 Cb 1.24 -0.05 -0.32 0.00 0.68 0.00 0.00 39.33 40.89 1weq h ASP 40 CO 0.59 0.28 -0.61 -1.83 -1.61 0.00 0.00 179.24 176.05 1weq s GLU 41 N -4.93 0.08 0.00 0.28 -1.05 -1.26 -4.99 118.70 106.82 1weq s GLU 41 Ca -0.06 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1weq s GLU 41 Cb 0.16 -0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 1weq s GLU 41 CO 0.72 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 177.19 1weq n GLY 42 N 4.08 2.03 0.28 -3.83 0.00 -1.26 -4.85 105.19 101.64 1weq n GLY 42 Ca -0.25 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 0.00 -1.26 1.61 0.11 -2.00 -2.77 114.38 110.07 1weq h ARG 43 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1weq h ARG 43 Cb 0.00 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 30.84 1weq h ARG 43 CO 0.00 0.05 0.74 0.91 0.10 0.00 0.00 179.97 181.78 1weq n TRP 44 N -3.27 2.67 -3.59 4.08 7.02 -1.26 -2.47 117.44 120.62 1weq n TRP 44 Ca -0.01 -2.64 -0.33 0.00 -1.02 0.00 0.00 57.50 53.50 1weq n TRP 44 Cb 0.24 -1.29 -0.05 0.00 -2.42 0.00 0.00 31.31 27.79 1weq n TRP 44 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1weq s ARG 45 N -3.19 3.72 -0.46 -0.99 1.70 -1.05 0.03 118.95 118.71 1weq s ARG 45 Ca 0.54 0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.61 1weq s ARG 45 Cb 0.42 -2.91 0.02 0.00 -0.57 0.00 0.00 34.95 31.91 1weq s ARG 45 CO -0.05 0.50 1.33 -1.17 -1.08 0.00 0.00 175.30 174.84 1weq s LEU 46 N -2.26 3.57 -0.30 -1.89 0.20 -1.26 -3.10 118.68 113.64 1weq s LEU 46 Ca 0.37 0.62 -0.10 0.00 0.69 0.00 0.00 54.13 55.71 1weq s LEU 46 Cb -0.13 -3.46 -0.02 0.00 -0.43 0.00 0.00 46.19 42.15 1weq s LEU 46 CO 0.20 -1.43 0.16 -0.63 -0.29 0.00 0.00 176.35 174.37 1weq s ILE 47 N 5.25 4.83 -0.04 6.68 1.01 -0.03 -4.91 121.20 133.99 1weq s ILE 47 Ca 0.56 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1weq s ILE 47 Cb -0.11 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1weq s ILE 47 CO 0.31 0.13 0.28 -0.76 0.00 0.00 0.00 174.94 174.90 1weq s LEU 48 N 1.67 4.42 0.99 2.97 1.43 -1.26 -2.35 118.68 126.54 1weq s LEU 48 Ca 0.06 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 1weq s LEU 48 Cb -0.17 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 1weq s LEU 48 CO 0.08 0.34 -0.38 0.00 0.23 0.00 0.00 176.35 176.62 1weq n ALA 50 N -3.01 1.97 -0.30 0.00 0.00 -1.06 -3.16 120.51 114.94 1weq n ALA 50 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 53.44 52.96 1weq n ALA 50 Cb 0.56 0.28 0.14 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.22 1.01 0.00 0.00 2.02 -1.93 -3.35 112.91 110.44 1weq h THR 51 Ca -0.29 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1weq h THR 51 Cb 1.34 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1weq h THR 51 CO -0.12 0.17 -0.94 0.00 0.37 0.00 0.00 175.52 175.00 1weq n GLY 53 N 3.28 -0.20 0.54 0.00 0.00 -1.19 -4.99 105.19 102.63 1weq n GLY 53 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.42 1.37 -4.83 1.61 7.64 -1.26 -4.84 113.62 110.89 1weq n SER 54 Ca -0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 1weq n SER 54 Cb 0.56 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.71 3.02 -0.25 1.43 3.76 -1.26 -4.74 115.29 115.54 1weq s HIS 55 Ca 0.00 1.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.98 1weq s HIS 55 Cb 0.00 -3.08 0.12 0.00 1.11 0.00 0.00 32.58 30.73 1weq s HIS 55 CO 0.00 -1.52 0.53 0.20 -0.85 0.00 0.00 174.74 173.09 1weq s GLY 56 N -4.04 -0.57 0.16 -2.22 0.00 -1.25 -2.73 107.32 96.67 1weq s GLY 56 Ca 0.60 1.85 -0.09 0.00 0.00 0.00 0.00 44.72 47.08 1weq s GLY 56 CO 0.54 2.78 0.28 -1.08 0.00 0.00 0.00 173.10 175.61 1weq s THR 57 N 2.75 0.07 1.26 0.90 -1.32 -0.99 -2.52 115.64 115.78 1weq s THR 57 Ca -0.01 -1.41 -0.16 0.00 -1.21 0.00 0.00 61.69 58.90 1weq s THR 57 Cb -0.12 -1.86 0.32 0.00 -1.51 0.00 0.00 72.50 69.32 1weq s THR 57 CO -0.16 -0.30 0.99 -1.00 -2.21 0.00 0.00 174.62 171.94 1weq s HIS 58 N -3.97 0.69 -0.03 9.09 0.09 -1.26 -0.85 115.29 119.05 1weq s HIS 58 Ca 0.18 0.94 -0.00 0.00 -0.00 0.00 0.00 55.06 56.18 1weq s HIS 58 Cb 0.03 -3.03 -0.00 0.00 -0.00 0.00 0.00 32.58 29.58 1weq s HIS 58 CO 0.00 -4.28 -0.00 -0.09 -0.00 0.00 0.00 174.74 170.37 1weq h ARG 59 N -2.92 0.00 -0.08 1.40 1.12 -1.42 -3.23 114.38 109.25 1weq h ARG 59 Ca -0.56 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.33 1weq h ARG 59 Cb 1.34 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.30 1weq h ARG 59 CO 0.44 0.00 0.06 0.38 -3.11 0.00 0.00 179.97 177.74 1weq h ASP 60 N -0.32 0.00 -0.50 -3.80 3.04 -1.85 -1.27 116.42 111.72 1weq h ASP 60 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1weq h ASP 60 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.27 1weq h ASP 60 CO 0.00 0.00 0.23 0.00 -2.04 0.00 0.00 179.24 177.43 1weq n SER 62 N -4.34 2.33 -3.62 0.00 7.64 -0.48 -3.38 113.62 111.77 1weq n SER 62 Ca 0.04 -2.24 -0.26 0.00 1.01 0.00 0.00 58.87 57.42 1weq n SER 62 Cb 0.15 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.78 1weq n SER 62 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1weq n SER 63 N 0.14 -2.85 -3.33 6.43 3.41 -0.55 -4.92 113.62 111.95 1weq n SER 63 Ca 0.08 -0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 58.01 1weq n SER 63 Cb 0.53 -2.40 0.09 0.00 -0.26 0.00 0.00 64.21 62.17 1weq n SER 63 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1weq n LEU 64 N -3.71 0.00 -4.92 1.04 4.77 -1.19 -5.06 117.00 107.92 1weq n LEU 64 Ca 0.03 -1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 54.72 1weq n LEU 64 Cb 0.51 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1weq n LEU 64 CO 0.59 -0.88 -0.05 -0.13 -1.33 0.00 0.00 177.39 175.59 1weq s ARG 65 N -4.22 3.09 0.30 3.23 3.00 -1.26 -4.81 118.95 118.28 1weq s ARG 65 Ca 0.40 -1.00 0.08 0.00 0.00 0.00 0.00 55.73 55.21 1weq s ARG 65 Cb -0.02 -2.72 0.47 0.00 0.00 0.00 0.00 34.95 32.68 1weq s ARG 65 CO 0.27 0.25 1.69 -1.00 0.00 0.00 0.00 175.30 176.52 1weq h PRO 66 N 1.18 0.13 -1.02 3.54 0.13 -1.99 -3.15 132.00 130.82 1weq h PRO 66 Ca -0.48 -0.07 -0.62 0.00 -0.87 0.00 0.00 66.00 63.96 1weq h PRO 66 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 1weq h PRO 66 CO 0.58 0.58 -0.08 -1.71 -0.23 0.00 0.00 178.00 177.14 1weq n ASN 67 N -3.98 6.07 -4.42 1.44 2.85 -1.26 -5.04 115.26 110.93 1weq n ASN 67 Ca -0.02 -3.77 -0.29 0.00 -0.11 0.00 0.00 54.58 50.39 1weq n ASN 67 Cb 0.51 -0.63 0.18 0.00 1.24 0.00 0.00 39.78 41.07 1weq n ASN 67 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1weq s SER 68 N -2.79 2.67 0.08 1.20 0.15 -1.19 -5.05 113.70 108.78 1weq s SER 68 Ca 0.56 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 1weq s SER 68 Cb 0.45 -1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1weq s SER 68 CO -0.04 -3.05 -0.01 0.29 1.20 0.00 0.00 173.24 171.62 1weq n LYS 69 N -4.07 0.02 -3.91 5.44 5.02 -1.26 -5.08 118.16 114.32 1weq n LYS 69 Ca 0.09 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 1weq n LYS 69 Cb 0.59 -0.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.97 1weq n LYS 69 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1weq s LYS 70 N -2.00 0.30 0.05 1.97 -2.85 -1.26 -5.15 119.74 110.80 1weq s LYS 70 Ca -0.01 -0.34 0.08 0.00 -1.00 0.00 0.00 55.97 54.70 1weq s LYS 70 Cb 0.00 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1weq s LYS 70 CO 0.02 -0.06 -0.23 -0.46 0.10 0.00 0.00 175.35 174.72 1weq s TRP 71 N -1.01 2.03 0.10 1.78 -0.00 -1.26 -5.04 118.94 115.54 1weq s TRP 71 Ca -0.11 -0.39 0.06 0.00 -0.00 0.00 0.00 56.10 55.66 1weq s TRP 71 Cb -0.07 -1.20 -0.04 0.00 -0.00 0.00 0.00 33.47 32.16 1weq s TRP 71 CO 0.00 0.13 -0.04 -1.21 -0.00 0.00 0.00 176.95 175.83 1weq s GLU 72 N -1.30 2.37 0.77 5.86 2.02 -1.26 -2.56 118.70 124.59 1weq s GLU 72 Ca 0.09 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 1weq s GLU 72 Cb -0.09 -2.44 0.11 0.00 0.10 0.00 0.00 34.13 31.80 1weq s GLU 72 CO 0.02 0.53 1.08 0.00 0.02 0.00 0.00 175.26 176.91 1weq h ASN 74 N -0.83 -1.19 -0.93 0.00 -1.24 -1.92 0.18 115.58 109.65 1weq h ASN 74 Ca -0.43 0.07 0.36 0.00 0.71 0.00 0.00 56.30 57.01 1weq h ASN 74 Cb 1.29 0.36 -0.13 0.00 0.73 0.00 0.00 38.32 40.56 1weq h ASN 74 CO 0.51 -0.70 0.55 1.21 -1.29 0.00 0.00 177.43 177.71 1weq n GLU 75 N -5.36 -0.04 -0.07 6.67 2.13 -1.26 0.12 120.64 122.82 1weq n GLU 75 Ca -0.13 1.08 -0.12 0.00 0.66 0.00 0.00 57.16 58.65 1weq n GLU 75 Cb 0.47 -2.01 -0.09 0.00 0.27 0.00 0.00 31.44 30.07 1weq n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1weq n LEU 77 N -4.62 2.17 -4.55 0.00 4.77 0.12 -4.82 117.00 110.06 1weq n LEU 77 Ca -0.11 0.78 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 1weq n LEU 77 Cb 0.39 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 1weq n LEU 77 CO 0.22 -2.44 1.61 -2.16 -1.33 0.00 0.00 177.39 173.28 1weq s PRO 78 N -2.38 2.62 -0.54 3.23 0.04 -1.26 -4.87 135.00 131.84 1weq s PRO 78 Ca 0.72 0.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1weq s PRO 78 Cb -0.44 -4.39 0.14 0.00 0.04 0.00 0.00 34.50 29.85 1weq s PRO 78 CO 0.51 -2.74 0.36 0.00 0.04 0.00 0.00 177.00 175.17 1weq s ALA 79 N 9.09 3.43 -1.86 8.56 0.00 -1.26 -4.75 121.76 134.97 1weq s ALA 79 Ca 0.67 -2.97 -0.23 0.00 0.00 0.00 0.00 51.96 49.44 1weq s ALA 79 Cb -0.13 -2.60 0.22 0.00 0.00 0.00 0.00 23.12 20.62 1weq s ALA 79 CO 0.20 -1.99 0.59 -1.13 0.00 0.00 0.00 175.76 173.43 1weq n SER 80 N 3.96 -1.80 0.00 0.00 3.41 -1.26 -4.21 113.62 113.73 1weq n SER 80 Ca 0.03 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1weq n SER 80 Cb 0.39 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1weq n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1weq n GLY 81 N -1.15 -1.49 3.56 5.00 0.00 -1.26 -4.85 105.19 105.00 1weq n GLY 81 Ca 0.10 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1weq n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weq s PRO 82 N 0.00 2.56 0.08 1.61 0.04 -1.26 -4.89 135.00 133.14 1weq s PRO 82 Ca 0.00 -0.27 -0.31 0.00 0.04 0.00 0.00 61.00 60.46 1weq s PRO 82 Cb 0.00 -5.05 -0.07 0.00 0.04 0.00 0.00 34.50 29.42 1weq s PRO 82 CO 0.00 -3.36 1.35 -1.54 0.04 0.00 0.00 177.00 173.49 1weq s SER 83 N 8.03 6.89 -0.08 6.66 1.04 -1.26 -4.90 113.70 130.08 1weq s SER 83 Ca 0.70 2.21 -0.01 0.00 0.48 0.00 0.00 55.95 59.32 1weq s SER 83 Cb -0.07 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 1weq s SER 83 CO -0.00 -0.62 2.33 -1.54 0.98 0.00 0.00 173.24 174.39 1weq n SER 84 N 4.24 5.60 0.00 7.02 3.41 -1.26 -4.91 113.62 127.73 1weq n SER 84 Ca 0.11 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1weq n SER 84 Cb 0.44 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1weq n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49