#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq s ASP 6 N 0.00 6.46 0.00 -3.46 2.15 -1.26 -4.91 116.67 115.65 3hhq s ASP 6 Ca 0.00 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.75 3hhq s ASP 6 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3hhq s ASP 6 CO 0.00 -0.91 0.23 0.29 -0.17 0.00 0.00 175.17 174.60 3hhq n LYS 7 N 4.01 2.11 -2.94 4.34 5.02 -1.26 -4.60 118.16 124.85 3hhq n LYS 7 Ca 0.15 -0.23 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 3hhq n LYS 7 Cb 0.37 -0.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.65 3hhq n LYS 7 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hhq s VAL 8 N -0.37 4.90 -0.33 -0.18 1.01 -1.26 -4.87 120.40 119.31 3hhq s VAL 8 Ca 0.00 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 3hhq s VAL 8 Cb 0.00 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3hhq s VAL 8 CO 0.00 0.03 0.08 -0.22 0.00 0.00 0.00 175.10 174.99 3hhq s LEU 9 N 2.20 4.17 -0.05 3.92 2.96 -1.26 -3.06 118.68 127.56 3hhq s LEU 9 Ca 0.36 -1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 3hhq s LEU 9 Cb -0.16 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 3hhq s LEU 9 CO 0.11 -0.30 0.41 -0.54 -1.32 0.00 0.00 176.35 174.71 3hhq s LYS 10 N 1.37 4.05 -0.13 1.98 1.02 -0.83 -4.97 119.74 122.23 3hhq s LYS 10 Ca -0.02 0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.37 3hhq s LYS 10 Cb -0.19 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3hhq s LYS 10 CO 0.02 0.52 -0.22 0.42 -0.92 0.00 0.00 175.35 175.16 3hhq s ILE 11 N -0.50 2.09 -0.23 2.17 -1.09 -1.26 -1.66 121.20 120.72 3hhq s ILE 11 Ca 0.23 -0.98 -0.06 0.00 -2.23 0.00 0.00 60.65 57.62 3hhq s ILE 11 Cb -0.16 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 3hhq s ILE 11 CO 0.11 0.55 0.02 -1.58 -1.23 0.00 0.00 174.94 172.81 3hhq s GLN 12 N 0.73 3.57 -0.46 2.79 0.74 0.25 -4.99 119.66 122.29 3hhq s GLN 12 Ca -0.09 -0.53 -0.18 0.00 0.05 0.00 0.00 55.36 54.61 3hhq s GLN 12 Cb -0.16 -3.17 0.04 0.00 1.10 0.00 0.00 33.01 30.82 3hhq s GLN 12 CO -0.00 -0.14 0.51 -0.51 -0.55 0.00 0.00 175.29 174.61 3hhq s LEU 13 N 1.41 4.97 0.15 3.68 1.43 -1.26 -0.48 118.68 128.58 3hhq s LEU 13 Ca 0.05 -0.82 0.25 0.00 -1.03 0.00 0.00 54.13 52.59 3hhq s LEU 13 Cb -0.15 -2.41 0.59 0.00 0.03 0.00 0.00 46.19 44.25 3hhq s LEU 13 CO 0.01 -0.72 1.55 0.54 0.23 0.00 0.00 176.35 177.96 3hhq n ARG 14 N 5.80 0.25 -4.00 1.70 1.74 0.51 -4.94 116.66 117.72 3hhq n ARG 14 Ca -0.07 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 3hhq n ARG 14 Cb 0.46 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3hhq n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hhq s SER 15 N -4.25 0.49 0.44 0.55 1.04 -1.26 -5.02 113.70 105.70 3hhq s SER 15 Ca 0.09 -1.29 0.30 0.00 0.48 0.00 0.00 55.95 55.53 3hhq s SER 15 Cb 0.13 0.69 1.39 0.00 0.10 0.00 0.00 66.02 68.34 3hhq s SER 15 CO 0.66 -1.36 1.91 0.00 0.98 0.00 0.00 173.24 175.43 3hhq h ALA 16 N 2.11 1.00 0.00 5.32 0.00 -1.97 -2.76 119.26 122.97 3hhq h ALA 16 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hhq h ALA 16 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hhq h ALA 16 CO 0.38 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.40 3hhq h SER 17 N 0.00 0.00 -3.86 0.00 0.02 -1.95 -3.46 113.55 104.31 3hhq h SER 17 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3hhq h SER 17 Cb 0.30 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.87 3hhq h SER 17 CO 0.00 0.00 0.50 0.00 -1.14 0.00 0.00 176.83 176.19 3hhq s ALA 18 N -3.20 3.35 -0.14 3.77 0.00 -1.04 -4.54 121.76 119.96 3hhq s ALA 18 Ca 0.08 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3hhq s ALA 18 Cb 0.08 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3hhq s ALA 18 CO 0.63 -0.31 -0.07 0.99 0.00 0.00 0.00 175.76 177.00 3hhq s THR 19 N -1.24 3.64 -0.08 0.00 2.01 -1.26 -4.99 115.64 113.72 3hhq s THR 19 Ca 0.48 -0.45 -0.36 0.00 0.31 0.00 0.00 61.69 61.67 3hhq s THR 19 Cb -0.32 -2.57 -0.14 0.00 0.01 0.00 0.00 72.50 69.48 3hhq s THR 19 CO 0.42 0.51 1.72 0.52 -0.69 0.00 0.00 174.62 177.11 3hhq n VAL 20 N 3.37 0.33 -1.62 3.82 0.31 -1.26 -4.68 118.33 118.61 3hhq n VAL 20 Ca -0.18 -0.06 -0.44 0.00 -0.01 0.00 0.00 64.34 63.65 3hhq n VAL 20 Cb 0.53 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 3hhq n VAL 20 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hhq n PRO 21 N 5.23 1.58 -4.61 5.55 -0.02 -1.26 -4.96 135.00 136.51 3hhq n PRO 21 Ca 0.22 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 62.04 3hhq n PRO 21 Cb 0.23 -1.99 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 3hhq n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhq s THR 22 N -1.07 1.06 0.00 3.45 -4.23 -1.15 -4.83 115.64 108.87 3hhq s THR 22 Ca 0.58 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 3hhq s THR 22 Cb -0.66 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 3hhq s THR 22 CO 0.61 0.30 1.07 -0.54 -0.54 0.00 0.00 174.62 175.52 3hhq s LYS 23 N -0.31 4.49 0.52 3.99 -0.14 -1.26 0.62 119.74 127.64 3hhq s LYS 23 Ca 0.05 1.55 0.28 0.00 -1.36 0.00 0.00 55.97 56.49 3hhq s LYS 23 Cb -0.05 -3.44 1.50 0.00 -1.68 0.00 0.00 37.83 34.16 3hhq s LYS 23 CO -0.01 -0.18 1.82 0.78 -0.76 0.00 0.00 175.35 177.01 3hhq h GLY 24 N 7.04 0.00 -5.08 -3.33 0.00 -1.96 -3.43 103.07 96.32 3hhq h GLY 24 Ca -0.40 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.13 3hhq h GLY 24 CO 0.79 0.00 0.85 -1.35 0.00 0.00 0.00 176.54 176.83 3hhq s SER 25 N -4.27 -0.12 0.60 0.19 1.04 -1.26 -5.02 113.70 104.86 3hhq s SER 25 Ca -0.03 0.15 0.30 0.00 0.48 0.00 0.00 55.95 56.85 3hhq s SER 25 Cb 0.08 0.13 1.11 0.00 0.10 0.00 0.00 66.02 67.44 3hhq s SER 25 CO 0.25 -0.09 1.43 0.00 0.98 0.00 0.00 173.24 175.81 3hhq h ALA 26 N 2.46 2.98 -0.22 5.32 0.00 -2.02 -1.19 119.26 126.59 3hhq h ALA 26 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hhq h ALA 26 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hhq h ALA 26 CO 0.22 -1.69 0.00 2.41 0.00 0.00 0.00 179.25 180.19 3hhq n THR 27 N -3.41 0.39 -1.72 0.00 -1.04 -1.26 -5.01 114.28 102.22 3hhq n THR 27 Ca 0.24 -0.69 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 3hhq n THR 27 Cb 1.47 1.03 0.07 0.00 -1.82 0.00 0.00 70.33 71.08 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hhq s ALA 28 N -1.27 2.35 0.22 2.41 0.00 -0.45 -4.95 121.76 120.07 3hhq s ALA 28 Ca 0.26 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 3hhq s ALA 28 Cb 0.16 -3.52 0.20 0.00 0.00 0.00 0.00 23.12 19.96 3hhq s ALA 28 CO 0.23 -1.59 1.57 0.00 0.00 0.00 0.00 175.76 175.97 3hhq h ALA 29 N 0.43 0.82 -2.43 0.00 0.00 -1.95 -3.48 119.26 112.66 3hhq h ALA 29 Ca -0.50 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 53.70 3hhq h ALA 29 Cb 1.32 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3hhq h ALA 29 CO 0.53 0.66 -0.64 0.20 0.00 0.00 0.00 179.25 180.00 3hhq s GLY 30 N -4.12 1.23 -0.11 0.00 0.00 -1.26 -4.57 107.32 98.47 3hhq s GLY 30 Ca -0.07 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3hhq s GLY 30 CO 0.82 -1.43 0.31 -0.19 0.00 0.00 0.00 173.10 172.61 3hhq s TYR 31 N -3.97 3.55 0.23 1.90 1.51 -0.72 -4.28 117.35 115.57 3hhq s TYR 31 Ca 0.29 0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 56.75 3hhq s TYR 31 Cb 0.07 -2.28 -0.09 0.00 -0.11 0.00 0.00 41.96 39.55 3hhq s TYR 31 CO 0.06 0.41 1.35 -0.51 -1.11 0.00 0.00 175.55 175.75 3hhq s ASP 32 N -0.13 6.80 -0.25 2.29 1.01 0.20 -0.52 116.67 126.08 3hhq s ASP 32 Ca 0.18 2.53 -0.07 0.00 0.71 0.00 0.00 52.55 55.90 3hhq s ASP 32 Cb -0.14 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3hhq s ASP 32 CO 0.06 -0.58 0.06 -0.63 0.21 0.00 0.00 175.17 174.29 3hhq s ILE 33 N -0.10 4.25 -0.10 0.77 -1.09 -0.49 -2.96 121.20 121.49 3hhq s ILE 33 Ca 0.56 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.70 3hhq s ILE 33 Cb -0.39 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 3hhq s ILE 33 CO 0.42 0.35 0.22 -0.31 -1.23 0.00 0.00 174.94 174.38 3hhq s TYR 34 N 1.58 3.61 0.34 3.97 2.02 -1.26 -1.44 117.35 126.17 3hhq s TYR 34 Ca 0.06 0.64 -0.28 0.00 -0.37 0.00 0.00 57.07 57.12 3hhq s TYR 34 Cb -0.15 -2.07 -0.10 0.00 -0.40 0.00 0.00 41.96 39.24 3hhq s TYR 34 CO 0.03 0.65 1.29 0.00 -1.57 0.00 0.00 175.55 175.96 3hhq s ALA 35 N -0.85 3.46 -0.35 3.71 0.00 0.99 -4.56 121.76 124.17 3hhq s ALA 35 Ca 0.17 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.56 3hhq s ALA 35 Cb -0.13 -3.47 -0.27 0.00 0.00 0.00 0.00 23.12 19.25 3hhq s ALA 35 CO 0.06 -0.63 0.57 -1.13 0.00 0.00 0.00 175.76 174.63 3hhq n SER 36 N 0.73 0.66 -4.06 0.00 3.41 -0.27 -0.17 113.62 113.92 3hhq n SER 36 Ca 0.00 -0.35 -0.11 0.00 -0.26 0.00 0.00 58.87 58.15 3hhq n SER 36 Cb 0.42 1.56 -0.11 0.00 -0.26 0.00 0.00 64.21 65.83 3hhq n SER 36 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hhq s GLN 37 N -3.15 0.53 0.46 4.33 -0.21 -1.26 -4.77 119.66 115.58 3hhq s GLN 37 Ca -0.02 -0.87 -0.24 0.00 0.02 0.00 0.00 55.36 54.26 3hhq s GLN 37 Cb 0.13 -0.10 -0.07 0.00 1.00 0.00 0.00 33.01 33.97 3hhq s GLN 37 CO 0.80 -0.01 1.28 -0.51 -2.12 0.00 0.00 175.29 174.73 3hhq s ASP 38 N -1.95 6.00 -0.02 5.90 1.11 -1.26 -4.08 116.67 122.37 3hhq s ASP 38 Ca -0.06 2.58 -0.28 0.00 0.18 0.00 0.00 52.55 54.97 3hhq s ASP 38 Cb -0.05 -2.63 0.06 0.00 1.07 0.00 0.00 42.92 41.37 3hhq s ASP 38 CO -0.02 -1.06 0.63 -0.51 1.18 0.00 0.00 175.17 175.39 3hhq s ILE 39 N -1.36 0.01 -0.11 0.77 1.10 -0.77 -4.95 121.20 115.89 3hhq s ILE 39 Ca 0.63 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.72 3hhq s ILE 39 Cb -0.36 -0.97 -0.02 0.00 0.15 0.00 0.00 42.46 41.26 3hhq s ILE 39 CO 0.45 -0.03 -0.14 -0.89 -2.11 0.00 0.00 174.94 172.22 3hhq s THR 40 N -1.58 3.00 -0.45 4.00 2.01 -1.26 -1.04 115.64 120.31 3hhq s THR 40 Ca -0.09 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 3hhq s THR 40 Cb -0.01 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.30 3hhq s THR 40 CO 0.06 0.54 0.58 -0.63 -0.69 0.00 0.00 174.62 174.48 3hhq s ILE 41 N 0.16 4.91 0.54 1.82 -1.09 -0.40 -4.81 121.20 122.33 3hhq s ILE 41 Ca -0.07 -0.20 -0.21 0.00 -2.23 0.00 0.00 60.65 57.94 3hhq s ILE 41 Cb -0.15 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 3hhq s ILE 41 CO 0.05 -0.61 1.26 -2.84 -1.23 0.00 0.00 174.94 171.57 3hhq s PRO 42 N 2.57 3.23 0.12 2.79 0.02 -1.26 -1.34 135.00 141.13 3hhq s PRO 42 Ca 0.17 1.98 -0.33 0.00 0.02 0.00 0.00 61.00 62.85 3hhq s PRO 42 Cb -0.16 -2.18 -0.18 0.00 0.02 0.00 0.00 34.50 32.00 3hhq s PRO 42 CO 0.15 -1.04 0.74 0.00 -0.33 0.00 0.00 177.00 176.52 3hhq n ALA 43 N -1.09 -3.18 -1.83 -1.55 0.00 -1.26 -1.65 120.51 109.95 3hhq n ALA 43 Ca 0.11 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.90 3hhq n ALA 43 Cb 0.47 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3hhq n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hhq n MET 44 N 1.19 -1.62 -0.34 0.00 2.81 -0.43 -4.86 117.12 113.86 3hhq n MET 44 Ca 0.19 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.89 3hhq n MET 44 Cb 0.18 -5.22 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 3hhq n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hhq n GLY 45 N -0.51 5.68 3.02 3.03 0.00 -0.66 -4.89 105.19 110.85 3hhq n GLY 45 Ca -0.16 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 3hhq n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhq s GLN 46 N 0.49 0.46 0.32 1.61 0.74 -1.26 -1.21 119.66 120.82 3hhq s GLN 46 Ca 0.00 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.86 3hhq s GLN 46 Cb 0.00 -0.29 -0.01 0.00 1.10 0.00 0.00 33.01 33.81 3hhq s GLN 46 CO 0.00 0.06 0.40 0.20 -0.55 0.00 0.00 175.29 175.40 3hhq s GLY 47 N -1.06 1.60 -0.04 2.59 0.00 -0.18 -4.45 107.32 105.78 3hhq s GLY 47 Ca -0.06 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.07 3hhq s GLY 47 CO 0.00 -1.11 -0.10 -0.29 0.00 0.00 0.00 173.10 171.60 3hhq s MET 48 N -3.31 1.25 -0.25 2.90 1.75 -1.26 -0.91 119.30 119.47 3hhq s MET 48 Ca 0.33 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.37 3hhq s MET 48 Cb 0.01 -1.10 -0.04 0.00 2.84 0.00 0.00 34.83 36.54 3hhq s MET 48 CO 0.20 0.05 0.10 0.08 -0.65 0.00 0.00 175.02 174.81 3hhq s VAL 49 N 0.51 4.68 0.46 10.11 1.01 0.22 -4.92 120.40 132.48 3hhq s VAL 49 Ca -0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3hhq s VAL 49 Cb -0.13 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3hhq s VAL 49 CO 0.02 0.33 1.26 -0.44 0.00 0.00 0.00 175.10 176.27 3hhq s SER 50 N 1.46 5.98 -0.01 3.32 0.01 -1.26 -1.00 113.70 122.20 3hhq s SER 50 Ca 0.06 2.53 0.02 0.00 1.31 0.00 0.00 55.95 59.87 3hhq s SER 50 Cb -0.15 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3hhq s SER 50 CO 0.05 -1.06 0.03 0.35 0.41 0.00 0.00 173.24 173.02 3hhq n THR 51 N -0.43 0.04 -3.65 1.44 -2.24 -1.24 -1.11 114.28 107.09 3hhq n THR 51 Ca 0.07 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 3hhq n THR 51 Cb 0.46 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 3hhq n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hhq n ASP 52 N -1.74 -4.41 -4.13 3.42 8.00 -1.26 -4.31 116.55 112.12 3hhq n ASP 52 Ca -0.01 -0.61 -0.17 0.00 0.71 0.00 0.00 54.79 54.71 3hhq n ASP 52 Cb 0.23 -3.57 -0.12 0.00 -0.02 0.00 0.00 41.12 37.63 3hhq n ASP 52 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhq s ILE 53 N -3.15 0.95 0.14 0.53 -4.36 -1.26 -0.36 121.20 113.69 3hhq s ILE 53 Ca 0.54 -1.16 0.08 0.00 -0.26 0.00 0.00 60.65 59.85 3hhq s ILE 53 Cb -0.28 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 3hhq s ILE 53 CO 0.67 -0.21 -0.17 -0.44 0.24 0.00 0.00 174.94 175.03 3hhq s SER 54 N -1.54 2.41 0.05 4.36 0.01 0.37 -0.07 113.70 119.30 3hhq s SER 54 Ca -0.03 -0.80 -0.12 0.00 1.31 0.00 0.00 55.95 56.31 3hhq s SER 54 Cb -0.09 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.03 3hhq s SER 54 CO 0.02 -0.05 0.25 0.72 0.41 0.00 0.00 173.24 174.59 3hhq s PHE 55 N -1.88 -0.02 -0.31 2.43 -0.71 -1.26 -0.58 117.98 115.66 3hhq s PHE 55 Ca 0.11 -0.20 -0.05 0.00 -1.04 0.00 0.00 56.93 55.75 3hhq s PHE 55 Cb -0.06 0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.82 3hhq s PHE 55 CO 0.05 -0.49 0.06 0.99 -1.34 0.00 0.00 175.22 174.48 3hhq s THR 56 N -2.82 3.55 0.75 -4.49 2.01 -0.67 -4.73 115.64 109.25 3hhq s THR 56 Ca -0.03 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 3hhq s THR 56 Cb 0.00 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.60 3hhq s THR 56 CO -0.05 -0.06 1.09 0.68 -0.69 0.00 0.00 174.62 175.59 3hhq s VAL 57 N 1.38 3.36 0.74 3.82 -7.23 -1.26 -1.96 120.40 119.26 3hhq s VAL 57 Ca -0.01 0.48 -0.13 0.00 -1.81 0.00 0.00 61.98 60.51 3hhq s VAL 57 Cb -0.19 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 33.81 3hhq s VAL 57 CO 0.01 -0.55 1.12 -2.84 -0.31 0.00 0.00 175.10 172.53 3hhq s PRO 58 N -4.77 2.29 0.25 4.82 0.02 -1.17 -4.90 135.00 131.54 3hhq s PRO 58 Ca 0.62 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.69 3hhq s PRO 58 Cb -0.17 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3hhq s PRO 58 CO 0.53 -1.64 1.59 0.08 -0.33 0.00 0.00 177.00 177.24 3hhq s VAL 59 N -2.57 2.24 0.00 3.83 1.01 -1.26 -2.02 120.40 121.63 3hhq s VAL 59 Ca 0.65 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3hhq s VAL 59 Cb -0.20 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3hhq s VAL 59 CO 0.50 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3hhq n GLY 60 N 2.84 0.76 3.38 4.51 0.00 -1.26 -4.55 105.19 110.86 3hhq n GLY 60 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3hhq n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhq s THR 61 N -2.33 1.31 0.30 2.61 -4.23 -0.85 -1.34 115.64 111.11 3hhq s THR 61 Ca 0.00 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.53 3hhq s THR 61 Cb 0.00 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.37 3hhq s THR 61 CO 0.00 -0.30 -0.10 -0.72 -0.54 0.00 0.00 174.62 172.96 3hhq s TYR 62 N -3.23 2.18 -0.29 3.99 1.13 -0.52 -4.56 117.35 116.06 3hhq s TYR 62 Ca 0.29 -0.55 -0.11 0.00 -1.41 0.00 0.00 57.07 55.29 3hhq s TYR 62 Cb 0.05 -1.19 -0.04 0.00 -1.10 0.00 0.00 41.96 39.67 3hhq s TYR 62 CO 0.10 0.48 0.18 0.20 -2.51 0.00 0.00 175.55 174.01 3hhq s GLY 63 N -3.52 1.92 -0.16 5.49 0.00 -0.86 -0.42 107.32 109.77 3hhq s GLY 63 Ca 0.30 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 3hhq s GLY 63 CO 0.14 0.66 0.29 -1.60 0.00 0.00 0.00 173.10 172.58 3hhq s ARG 64 N 1.74 4.24 -0.56 2.90 3.52 0.73 -1.47 118.95 130.05 3hhq s ARG 64 Ca 0.07 0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.51 3hhq s ARG 64 Cb -0.16 -3.42 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3hhq s ARG 64 CO 0.10 0.25 0.96 0.42 -0.81 0.00 0.00 175.30 176.23 3hhq s ILE 65 N 0.42 4.35 0.21 4.11 1.01 0.07 0.53 121.20 131.90 3hhq s ILE 65 Ca 0.16 0.30 0.11 0.00 0.00 0.00 0.00 60.65 61.22 3hhq s ILE 65 Cb -0.13 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 3hhq s ILE 65 CO 0.04 -1.15 -0.19 0.00 0.00 0.00 0.00 174.94 173.64 3hhq s ALA 66 N 4.04 2.70 0.41 9.38 0.00 0.17 -4.70 121.76 133.76 3hhq s ALA 66 Ca 0.31 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 3hhq s ALA 66 Cb -0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 3hhq s ALA 66 CO 0.19 0.41 1.31 -1.25 0.00 0.00 0.00 175.76 176.42 3hhq s PRO 67 N -2.88 3.93 0.20 0.00 0.04 -1.26 -0.82 135.00 134.20 3hhq s PRO 67 Ca 0.24 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3hhq s PRO 67 Cb -0.08 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.65 3hhq s PRO 67 CO 0.12 -0.53 1.14 1.03 0.04 0.00 0.00 177.00 178.80 3hhq s ARG 68 N -2.28 4.56 0.24 4.56 0.52 -1.26 -4.71 118.95 120.57 3hhq s ARG 68 Ca 0.58 1.80 -0.02 0.00 -0.52 0.00 0.00 55.73 57.56 3hhq s ARG 68 Cb -0.38 -3.25 0.26 0.00 0.52 0.00 0.00 34.95 32.10 3hhq s ARG 68 CO 0.49 0.03 1.66 0.77 0.02 0.00 0.00 175.30 178.26 3hhq h SER 69 N 4.97 0.68 -0.04 0.23 0.02 -1.96 -3.02 113.55 114.41 3hhq h SER 69 Ca -0.45 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.27 3hhq h SER 69 Cb 1.21 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3hhq h SER 69 CO 0.72 0.90 0.00 1.23 -1.14 0.00 0.00 176.83 178.54 3hhq h GLY 70 N 0.99 0.04 1.19 -3.77 0.00 -1.99 -1.44 103.07 98.10 3hhq h GLY 70 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.44 3hhq h GLY 70 CO 0.06 -0.01 0.48 1.41 0.00 0.00 0.00 176.54 178.48 3hhq h LEU 71 N 0.02 0.79 0.04 3.11 3.38 -1.91 0.41 115.31 121.14 3hhq h LEU 71 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hhq h LEU 71 Cb 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hhq h LEU 71 CO -0.03 0.55 -0.02 0.00 0.09 0.00 0.00 178.44 179.03 3hhq h ALA 72 N 1.57 -0.06 0.18 1.53 0.00 -1.34 -0.78 119.26 120.35 3hhq h ALA 72 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hhq h ALA 72 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hhq h ALA 72 CO -0.08 -0.43 -0.09 0.28 0.00 0.00 0.00 179.25 178.94 3hhq h VAL 73 N -0.27 0.92 0.00 0.00 2.07 -1.00 -2.42 116.25 115.55 3hhq h VAL 73 Ca -0.01 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.81 3hhq h VAL 73 Cb 0.25 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3hhq h VAL 73 CO 0.01 0.12 -1.08 0.11 0.02 0.00 0.00 177.57 176.75 3hhq h LYS 74 N -0.51 0.00 0.00 1.57 1.57 -1.04 -3.40 116.57 114.76 3hhq h LYS 74 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hhq h LYS 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hhq h LYS 74 CO 0.04 0.47 0.00 0.09 -0.57 0.00 0.00 179.45 179.48 3hhq n ASN 75 N -3.08 0.38 -0.44 0.86 3.02 -0.34 -5.02 115.26 110.64 3hhq n ASN 75 Ca -0.05 -0.69 -0.05 0.00 -0.03 0.00 0.00 54.58 53.76 3hhq n ASN 75 Cb 0.84 0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 40.41 3hhq n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhq n GLY 76 N 0.42 0.54 3.68 7.41 0.00 -0.91 -4.20 105.19 112.13 3hhq n GLY 76 Ca 0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3hhq n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhq s ILE 77 N -2.20 5.05 -0.05 -0.61 -1.09 -1.03 0.58 121.20 121.84 3hhq s ILE 77 Ca 0.00 1.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.69 3hhq s ILE 77 Cb 0.00 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3hhq s ILE 77 CO 0.00 0.16 -0.23 -1.58 -1.23 0.00 0.00 174.94 172.06 3hhq s GLN 78 N 1.54 2.32 0.47 2.79 2.00 -0.07 -3.51 119.66 125.20 3hhq s GLN 78 Ca 0.30 -0.83 -0.21 0.00 -2.00 0.00 0.00 55.36 52.62 3hhq s GLN 78 Cb -0.16 -1.99 -0.08 0.00 0.80 0.00 0.00 33.01 31.57 3hhq s GLN 78 CO 0.12 0.36 1.06 0.95 -0.50 0.00 0.00 175.29 177.28 3hhq s THR 79 N -0.16 3.67 0.30 -0.34 -4.23 -1.26 0.25 115.64 113.87 3hhq s THR 79 Ca -0.02 1.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 3hhq s THR 79 Cb -0.13 -3.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.23 3hhq s THR 79 CO 0.03 -0.17 0.02 0.61 -0.54 0.00 0.00 174.62 174.57 3hhq n GLY 80 N -0.04 3.76 6.33 3.99 0.00 -0.52 -4.84 105.19 113.86 3hhq n GLY 80 Ca 0.09 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3hhq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhq n ALA 81 N -1.97 0.00 0.00 4.61 0.00 -1.26 -4.55 120.51 117.34 3hhq n ALA 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hhq n ALA 81 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3hhq n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhq n GLY 82 N 0.00 0.35 3.42 0.00 0.00 -1.26 -4.93 105.19 102.77 3hhq n GLY 82 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3hhq n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhq s VAL 83 N -2.00 4.96 -0.37 1.61 1.01 -1.26 -0.75 120.40 123.61 3hhq s VAL 83 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3hhq s VAL 83 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3hhq s VAL 83 CO 0.00 -0.78 0.21 -0.69 0.00 0.00 0.00 175.10 173.84 3hhq s VAL 84 N 2.38 4.67 0.64 2.92 1.01 -0.54 -5.01 120.40 126.47 3hhq s VAL 84 Ca 0.12 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3hhq s VAL 84 Cb -0.21 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3hhq s VAL 84 CO 0.10 -0.19 1.09 -1.81 0.00 0.00 0.00 175.10 174.29 3hhq s ASP 85 N 1.58 5.31 0.57 3.32 1.11 -1.26 -2.02 116.67 125.27 3hhq s ASP 85 Ca 0.03 1.92 0.26 0.00 0.18 0.00 0.00 52.55 54.94 3hhq s ASP 85 Cb -0.19 -2.54 1.64 0.00 1.07 0.00 0.00 42.92 42.90 3hhq s ASP 85 CO 0.07 -1.49 2.19 -0.09 1.18 0.00 0.00 175.17 177.03 3hhq h ARG 86 N 0.09 0.00 -0.16 8.23 2.43 -1.91 -1.94 114.38 121.12 3hhq h ARG 86 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hhq h ARG 86 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hhq h ARG 86 CO 0.55 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.61 3hhq n ASP 87 N -4.03 2.33 -4.69 -3.80 3.85 -1.26 -4.52 116.55 104.43 3hhq n ASP 87 Ca -0.02 -1.79 -0.42 0.00 -0.71 0.00 0.00 54.79 51.85 3hhq n ASP 87 Cb 0.15 -0.10 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3hhq n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3hhq s TYR 88 N -1.81 3.55 -0.14 2.11 5.04 -0.73 -4.90 117.35 120.47 3hhq s TYR 88 Ca 0.34 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3hhq s TYR 88 Cb 0.20 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 39.32 3hhq s TYR 88 CO 0.30 -0.17 0.17 0.25 -1.34 0.00 0.00 175.55 174.76 3hhq n THR 89 N 4.38 0.00 -0.80 4.34 -2.24 -1.26 -4.56 114.28 114.13 3hhq n THR 89 Ca 0.08 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 3hhq n THR 89 Cb 0.49 1.01 0.25 0.00 -2.10 0.00 0.00 70.33 69.98 3hhq n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hhq s GLY 90 N -1.09 1.52 0.28 3.38 0.00 -1.26 -4.86 107.32 105.29 3hhq s GLY 90 Ca 0.01 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 3hhq s GLY 90 CO 0.09 0.15 1.19 1.85 0.00 0.00 0.00 173.10 176.38 3hhq s GLU 91 N -5.11 4.51 -0.29 2.90 2.12 -1.26 -4.52 118.70 117.04 3hhq s GLU 91 Ca 0.69 1.96 -0.28 0.00 0.36 0.00 0.00 54.97 57.70 3hhq s GLU 91 Cb -0.14 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.10 3hhq s GLU 91 CO 0.58 0.01 1.03 0.08 -0.54 0.00 0.00 175.26 176.42 3hhq s VAL 92 N -0.92 4.59 0.07 3.70 1.01 0.90 -4.99 120.40 124.76 3hhq s VAL 92 Ca 0.48 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.22 3hhq s VAL 92 Cb -0.35 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3hhq s VAL 92 CO 0.44 -0.37 0.16 -0.54 0.00 0.00 0.00 175.10 174.79 3hhq s LYS 93 N 3.45 3.22 -0.35 2.72 -0.14 -1.26 -3.66 119.74 123.72 3hhq s LYS 93 Ca 0.43 -0.54 -0.10 0.00 -1.36 0.00 0.00 55.97 54.40 3hhq s LYS 93 Cb -0.13 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.12 3hhq s LYS 93 CO 0.13 0.59 0.19 0.08 -0.76 0.00 0.00 175.35 175.57 3hhq s VAL 94 N -1.46 4.60 -0.16 3.17 1.01 -0.17 -4.91 120.40 122.48 3hhq s VAL 94 Ca 0.33 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3hhq s VAL 94 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3hhq s VAL 94 CO 0.26 -0.11 1.13 -0.69 0.00 0.00 0.00 175.10 175.68 3hhq s VAL 95 N 1.58 4.50 -0.04 2.92 1.01 -1.26 0.70 120.40 129.81 3hhq s VAL 95 Ca 0.03 1.80 0.07 0.00 0.00 0.00 0.00 61.98 63.88 3hhq s VAL 95 Cb -0.18 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3hhq s VAL 95 CO 0.07 -0.10 -0.25 -0.76 0.00 0.00 0.00 175.10 174.05 3hhq s LEU 96 N 2.90 2.06 -0.08 3.92 1.43 -0.09 -1.43 118.68 127.38 3hhq s LEU 96 Ca 0.50 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3hhq s LEU 96 Cb -0.19 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3hhq s LEU 96 CO 0.14 0.28 -0.01 -0.36 0.23 0.00 0.00 176.35 176.63 3hhq s PHE 97 N -0.35 3.13 -0.29 0.29 2.99 0.14 -1.01 117.98 122.88 3hhq s PHE 97 Ca 0.02 0.17 0.02 0.00 0.00 0.00 0.00 56.93 57.14 3hhq s PHE 97 Cb -0.12 -1.78 0.07 0.00 0.00 0.00 0.00 43.02 41.19 3hhq s PHE 97 CO 0.02 0.45 -0.03 1.21 -0.00 0.00 0.00 175.22 176.87 3hhq s ASN 98 N -0.89 4.67 0.05 1.36 3.84 -0.35 -0.89 114.94 122.73 3hhq s ASN 98 Ca 0.13 -1.53 0.26 0.00 0.21 0.00 0.00 52.86 51.93 3hhq s ASN 98 Cb -0.11 -1.62 0.67 0.00 -0.55 0.00 0.00 41.25 39.63 3hhq s ASN 98 CO 0.02 -0.26 1.55 1.41 -2.79 0.00 0.00 177.10 177.03 3hhq n HIS 99 N 4.46 0.22 -1.65 0.43 8.25 0.19 -1.75 115.22 125.38 3hhq n HIS 99 Ca -0.10 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 3hhq n HIS 99 Cb 0.42 -0.47 0.12 0.00 1.12 0.00 0.00 29.99 31.18 3hhq n HIS 99 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hhq s SER 100 N -3.45 3.77 0.00 0.41 1.04 -1.26 -4.70 113.70 109.52 3hhq s SER 100 Ca 0.10 0.90 0.26 0.00 0.48 0.00 0.00 55.95 57.69 3hhq s SER 100 Cb 0.16 -1.44 1.45 0.00 0.10 0.00 0.00 66.02 66.30 3hhq s SER 100 CO 0.66 -2.38 1.95 0.00 0.98 0.00 0.00 173.24 174.44 3hhq n GLN 101 N -3.64 1.13 -4.90 4.02 1.13 -1.26 -1.32 117.38 112.54 3hhq n GLN 101 Ca 0.07 -0.19 -0.33 0.00 -1.94 0.00 0.00 57.00 54.61 3hhq n GLN 101 Cb 0.60 -1.42 -0.15 0.00 0.11 0.00 0.00 30.24 29.38 3hhq n GLN 101 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hhq s ARG 102 N -1.98 3.21 0.37 -1.09 0.52 -1.26 -4.79 118.95 113.93 3hhq s ARG 102 Ca 0.39 -0.73 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 3hhq s ARG 102 Cb 0.18 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 33.02 3hhq s ARG 102 CO 0.30 0.25 1.48 -0.51 0.02 0.00 0.00 175.30 176.84 3hhq s ASP 103 N 0.23 6.38 -0.30 0.23 -0.00 -1.26 -4.08 116.67 117.87 3hhq s ASP 103 Ca -0.10 3.01 -0.06 0.00 -0.00 0.00 0.00 52.55 55.40 3hhq s ASP 103 Cb -0.16 -2.66 0.02 0.00 -0.00 0.00 0.00 42.92 40.12 3hhq s ASP 103 CO 0.06 -0.85 0.08 0.12 -0.00 0.00 0.00 175.17 174.58 3hhq s PHE 104 N -1.05 3.17 -0.04 4.23 5.99 -0.45 -4.88 117.98 124.94 3hhq s PHE 104 Ca 0.53 -1.14 -0.22 0.00 0.00 0.00 0.00 56.93 56.10 3hhq s PHE 104 Cb -0.46 -2.25 -0.04 0.00 0.00 0.00 0.00 43.02 40.27 3hhq s PHE 104 CO 0.61 -0.63 0.65 0.00 -0.00 0.00 0.00 175.22 175.86 3hhq s ALA 105 N 1.46 3.39 -0.03 11.12 0.00 -1.26 -1.28 121.76 135.16 3hhq s ALA 105 Ca 0.01 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.12 3hhq s ALA 105 Cb -0.18 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3hhq s ALA 105 CO 0.02 -0.00 -0.22 0.42 0.00 0.00 0.00 175.76 175.98 3hhq s ILE 106 N 0.43 1.76 0.03 0.00 1.01 -0.21 -5.02 121.20 119.20 3hhq s ILE 106 Ca 0.35 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 60.13 3hhq s ILE 106 Cb -0.18 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3hhq s ILE 106 CO 0.17 0.50 -0.20 -0.54 0.00 0.00 0.00 174.94 174.87 3hhq s LYS 107 N -0.36 2.08 0.10 2.79 -0.14 -1.26 -1.84 119.74 121.10 3hhq s LYS 107 Ca 0.04 -0.97 -0.34 0.00 -1.36 0.00 0.00 55.97 53.35 3hhq s LYS 107 Cb -0.10 -2.16 -0.18 0.00 -1.68 0.00 0.00 37.83 33.70 3hhq s LYS 107 CO 0.01 0.55 0.79 1.17 -0.76 0.00 0.00 175.35 177.10 3hhq n LYS 108 N 1.75 0.00 -0.33 1.68 4.81 -1.26 -0.79 118.16 124.03 3hhq n LYS 108 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3hhq n LYS 108 Cb 0.52 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.32 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hhq n GLY 109 N 1.75 1.64 3.79 3.14 0.00 0.75 -4.97 105.19 111.30 3hhq n GLY 109 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3hhq n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhq s ASP 110 N -3.28 6.57 -0.14 1.61 1.01 0.03 -4.73 116.67 117.73 3hhq s ASP 110 Ca 0.00 1.96 -0.22 0.00 0.71 0.00 0.00 52.55 55.00 3hhq s ASP 110 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3hhq s ASP 110 CO 0.00 -0.63 0.68 -0.13 0.21 0.00 0.00 175.17 175.30 3hhq s ARG 111 N -2.90 4.32 0.00 8.23 0.52 -1.26 -0.00 118.95 127.86 3hhq s ARG 111 Ca 0.63 0.77 0.04 0.00 -0.52 0.00 0.00 55.73 56.64 3hhq s ARG 111 Cb -0.18 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 3hhq s ARG 111 CO 0.23 -0.10 0.25 1.33 0.02 0.00 0.00 175.30 177.03 3hhq n VAL 112 N 4.25 0.00 -3.80 3.52 0.24 -0.52 -4.96 118.33 117.06 3hhq n VAL 112 Ca -0.01 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.84 3hhq n VAL 112 Cb 0.50 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq s ALA 113 N -1.14 -1.81 0.03 2.33 0.00 -1.22 -4.65 121.76 115.30 3hhq s ALA 113 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.04 3hhq s ALA 113 Cb 0.03 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3hhq s ALA 113 CO 0.13 -1.06 -0.09 1.14 0.00 0.00 0.00 175.76 175.88 3hhq s GLN 114 N -2.56 0.61 -0.27 0.00 -2.07 -0.00 -1.40 119.66 113.97 3hhq s GLN 114 Ca 0.18 -0.60 -0.10 0.00 -1.82 0.00 0.00 55.36 53.02 3hhq s GLN 114 Cb -0.01 -0.50 -0.05 0.00 -1.09 0.00 0.00 33.01 31.36 3hhq s GLN 114 CO 0.02 0.12 0.17 -1.17 -1.32 0.00 0.00 175.29 173.11 3hhq s LEU 115 N -1.05 3.97 -0.18 2.60 2.96 0.32 0.46 118.68 127.76 3hhq s LEU 115 Ca -0.03 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3hhq s LEU 115 Cb -0.07 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3hhq s LEU 115 CO 0.00 -0.03 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.29 3hhq s ILE 116 N 1.63 3.15 -1.06 6.68 1.01 0.19 -1.76 121.20 131.04 3hhq s ILE 116 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 3hhq s ILE 116 Cb -0.16 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3hhq s ILE 116 CO 0.09 0.47 1.61 -0.76 0.00 0.00 0.00 174.94 176.35 3hhq s LEU 117 N 1.04 3.48 0.00 2.97 1.43 -1.26 -0.19 118.68 126.14 3hhq s LEU 117 Ca -0.00 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.29 3hhq s LEU 117 Cb -0.15 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3hhq s LEU 117 CO -0.01 -1.74 1.08 -1.61 0.23 0.00 0.00 176.35 174.30 3hhq s GLU 118 N 5.26 4.48 0.26 1.70 0.41 0.44 -4.86 118.70 126.39 3hhq s GLU 118 Ca 0.53 1.55 -0.30 0.00 -0.41 0.00 0.00 54.97 56.34 3hhq s GLU 118 Cb -0.00 -3.44 -0.09 0.00 -1.78 0.00 0.00 34.13 28.81 3hhq s GLU 118 CO -0.04 -0.18 1.05 0.15 -0.49 0.00 0.00 175.26 175.75 3hhq s LYS 119 N 1.25 4.70 0.17 1.61 1.02 -1.26 -1.44 119.74 125.80 3hhq s LYS 119 Ca 0.54 1.71 -0.04 0.00 0.02 0.00 0.00 55.97 58.20 3hhq s LYS 119 Cb -0.24 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3hhq s LYS 119 CO 0.27 0.29 0.17 0.96 -0.92 0.00 0.00 175.35 176.11 3hhq s ILE 120 N -1.09 0.05 -0.43 2.17 -4.36 -0.45 -4.94 121.20 112.14 3hhq s ILE 120 Ca 0.44 -1.80 -0.20 0.00 -0.26 0.00 0.00 60.65 58.83 3hhq s ILE 120 Cb -0.30 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.24 3hhq s ILE 120 CO 0.38 -0.22 0.60 -0.69 0.24 0.00 0.00 174.94 175.25 3hhq s VAL 121 N -4.07 4.88 -1.95 8.37 1.01 -1.26 -4.76 120.40 122.61 3hhq s VAL 121 Ca 0.28 0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.49 3hhq s VAL 121 Cb 0.06 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3hhq s VAL 121 CO 0.06 -0.56 1.05 -0.90 0.00 0.00 0.00 175.10 174.75 3hhq n ASP 122 N 6.12 1.97 -2.29 3.32 5.68 -1.26 -4.52 116.55 125.57 3hhq n ASP 122 Ca -0.03 -1.49 -0.08 0.00 -0.50 0.00 0.00 54.79 52.70 3hhq n ASP 122 Cb 0.48 0.48 0.05 0.00 -1.14 0.00 0.00 41.12 40.99 3hhq n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hhq n ASP 123 N -0.05 2.69 -4.78 -1.12 3.85 -1.26 -5.08 116.55 110.81 3hhq n ASP 123 Ca 0.09 -2.74 -0.36 0.00 -0.71 0.00 0.00 54.79 51.07 3hhq n ASP 123 Cb 0.45 -0.42 -0.01 0.00 -1.35 0.00 0.00 41.12 39.79 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq s ALA 124 N -3.35 2.90 -0.04 2.12 0.00 -1.26 -5.02 121.76 117.12 3hhq s ALA 124 Ca 0.37 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 3hhq s ALA 124 Cb 0.36 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3hhq s ALA 124 CO -0.03 -0.59 0.89 -0.65 0.00 0.00 0.00 175.76 175.39 3hhq s GLN 125 N -2.88 4.50 -0.14 0.00 -1.52 -1.26 -5.05 119.66 113.30 3hhq s GLN 125 Ca 0.66 1.24 -0.23 0.00 -1.95 0.00 0.00 55.36 55.08 3hhq s GLN 125 Cb -0.25 -3.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.04 3hhq s GLN 125 CO 0.30 -0.05 0.69 0.42 -0.25 0.00 0.00 175.29 176.40 3hhq s ILE 126 N 1.09 5.00 -0.13 1.08 1.01 -1.26 -5.06 121.20 122.94 3hhq s ILE 126 Ca 0.47 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.49 3hhq s ILE 126 Cb -0.20 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.28 3hhq s ILE 126 CO 0.23 0.15 -0.14 -0.69 0.00 0.00 0.00 174.94 174.49 3hhq s VAL 127 N 1.53 1.50 -0.13 2.92 1.01 -1.26 -5.12 120.40 120.85 3hhq s VAL 127 Ca 0.34 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 3hhq s VAL 127 Cb -0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3hhq s VAL 127 CO 0.13 0.45 0.44 -0.69 0.00 0.00 0.00 175.10 175.43 3hhq s VAL 128 N 1.32 5.21 0.15 2.92 1.01 -1.26 -5.08 120.40 124.67 3hhq s VAL 128 Ca 0.01 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3hhq s VAL 128 Cb -0.14 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3hhq s VAL 128 CO -0.07 0.33 -0.11 0.68 0.00 0.00 0.00 175.10 175.93 3hhq s VAL 129 N 0.64 1.20 0.07 2.92 -7.23 -1.26 -5.06 120.40 111.68 3hhq s VAL 129 Ca 0.24 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 3hhq s VAL 129 Cb -0.15 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 3hhq s VAL 129 CO 0.09 -0.72 1.42 0.44 -0.31 0.00 0.00 175.10 176.02 3hhq h ASP 130 N 2.83 0.50 -4.29 4.85 5.19 -2.05 -3.46 116.42 119.99 3hhq h ASP 130 Ca -0.37 -0.42 -0.20 0.00 -0.62 0.00 0.00 57.03 55.42 3hhq h ASP 130 Cb 1.19 -0.14 -0.25 0.00 0.18 0.00 0.00 39.33 40.32 3hhq h ASP 130 CO 0.62 0.81 -0.70 -0.55 -3.12 0.00 0.00 179.24 176.31 3hhq s SER 131 N -6.18 0.09 0.07 6.45 0.15 -1.26 -5.06 113.70 107.97 3hhq s SER 131 Ca -0.14 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.40 3hhq s SER 131 Cb 0.07 0.06 -0.21 0.00 -1.71 0.00 0.00 66.02 64.22 3hhq s SER 131 CO 0.77 -0.14 1.10 -0.07 1.20 0.00 0.00 173.24 176.10 3hhq h LEU 132 N 5.46 0.00 -5.55 3.45 4.07 -2.05 -3.35 115.31 117.35 3hhq h LEU 132 Ca -0.28 0.00 -0.71 0.00 0.08 0.00 0.00 57.88 56.98 3hhq h LEU 132 Cb 1.21 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.61 3hhq h LEU 132 CO 0.46 1.00 0.30 -0.62 -1.08 0.00 0.00 178.44 178.50 3hhq n GLU 133 N -3.26 4.10 0.00 1.13 4.71 -1.26 -5.22 120.64 120.85 3hhq n GLU 133 Ca -0.05 -4.54 0.00 0.00 -0.01 0.00 0.00 57.16 52.56 3hhq n GLU 133 Cb 0.97 -2.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3hhq n GLU 133 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37