#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq s VAL 8 N 0.00 5.36 -0.37 0.58 1.01 -1.26 -4.87 120.40 120.85 3hhq s VAL 8 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 3hhq s VAL 8 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3hhq s VAL 8 CO 0.00 0.40 0.29 -0.22 0.00 0.00 0.00 175.10 175.58 3hhq s LEU 9 N -1.68 4.75 -0.15 3.92 2.96 -1.26 -3.26 118.68 123.96 3hhq s LEU 9 Ca 0.24 -0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 3hhq s LEU 9 Cb -0.12 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3hhq s LEU 9 CO 0.14 -0.35 0.44 -0.54 -1.32 0.00 0.00 176.35 174.72 3hhq s LYS 10 N 1.77 4.28 -0.15 1.98 1.02 0.10 -4.94 119.74 123.80 3hhq s LYS 10 Ca 0.07 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.41 3hhq s LYS 10 Cb -0.18 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3hhq s LYS 10 CO 0.11 0.09 -0.17 0.42 -0.92 0.00 0.00 175.35 174.88 3hhq s ILE 11 N 0.86 2.50 -0.21 2.17 -1.09 -1.26 -0.76 121.20 123.41 3hhq s ILE 11 Ca 0.23 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3hhq s ILE 11 Cb -0.15 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 3hhq s ILE 11 CO 0.09 0.52 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.68 3hhq s GLN 12 N 0.85 3.35 -0.30 2.79 0.74 0.02 -5.01 119.66 122.11 3hhq s GLN 12 Ca -0.05 -0.64 -0.20 0.00 0.05 0.00 0.00 55.36 54.52 3hhq s GLN 12 Cb -0.15 -2.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.01 3hhq s GLN 12 CO -0.01 -0.15 0.62 -0.51 -0.55 0.00 0.00 175.29 174.69 3hhq s LEU 13 N 1.33 4.14 0.00 3.68 1.43 -1.26 -1.72 118.68 126.28 3hhq s LEU 13 Ca 0.04 0.44 0.25 0.00 -1.03 0.00 0.00 54.13 53.83 3hhq s LEU 13 Cb -0.14 -2.80 0.54 0.00 0.03 0.00 0.00 46.19 43.82 3hhq s LEU 13 CO -0.03 -0.46 1.44 0.54 0.23 0.00 0.00 176.35 178.06 3hhq n ARG 14 N 5.85 1.18 -3.49 1.70 1.74 0.58 -4.92 116.66 119.29 3hhq n ARG 14 Ca -0.01 -0.81 -0.09 0.00 -0.77 0.00 0.00 57.85 56.16 3hhq n ARG 14 Cb 0.49 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.38 -0.41 0.34 0.55 1.04 -1.26 -5.01 113.70 106.57 3hhq s SER 15 Ca 0.25 0.04 0.22 0.00 0.48 0.00 0.00 55.95 56.94 3hhq s SER 15 Cb 0.19 0.42 1.20 0.00 0.10 0.00 0.00 66.02 67.93 3hhq s SER 15 CO 0.49 -0.67 1.67 0.00 0.98 0.00 0.00 173.24 175.72 3hhq h ALA 16 N 2.05 1.01 0.00 5.32 0.00 -1.96 -2.47 119.26 123.21 3hhq h ALA 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hhq h ALA 16 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hhq h ALA 16 CO 0.32 -0.01 -0.48 0.77 0.00 0.00 0.00 179.25 179.85 3hhq h SER 17 N 0.00 0.00 -4.07 0.00 0.02 -1.95 -3.47 113.55 104.08 3hhq h SER 17 Ca 0.00 -0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 3hhq h SER 17 Cb 0.04 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.68 3hhq h SER 17 CO 0.00 0.01 0.49 0.00 -1.14 0.00 0.00 176.83 176.19 3hhq s ALA 18 N -3.26 2.68 -0.08 3.77 0.00 -0.93 -4.45 121.76 119.49 3hhq s ALA 18 Ca 0.04 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3hhq s ALA 18 Cb 0.09 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3hhq s ALA 18 CO 0.72 -1.06 -0.15 0.99 0.00 0.00 0.00 175.76 176.26 3hhq s THR 19 N -1.56 2.93 0.05 0.00 2.01 -1.26 -5.00 115.64 112.81 3hhq s THR 19 Ca 0.73 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3hhq s THR 19 Cb -0.31 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 3hhq s THR 19 CO 0.35 0.56 1.82 -0.69 -0.69 0.00 0.00 174.62 175.98 3hhq s VAL 20 N -0.28 2.97 0.28 3.82 1.01 -1.26 -4.79 120.40 122.16 3hhq s VAL 20 Ca 0.02 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3hhq s VAL 20 Cb -0.13 -3.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 3hhq s VAL 20 CO 0.03 -0.01 1.63 -2.65 0.00 0.00 0.00 175.10 174.10 3hhq n PRO 21 N 6.59 2.76 -4.15 2.72 -0.02 -1.26 -5.02 135.00 136.62 3hhq n PRO 21 Ca 0.18 0.98 -0.11 0.00 -2.02 0.00 0.00 63.50 62.53 3hhq n PRO 21 Cb 0.40 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 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 0.24 0.69 0.54 3.45 -4.23 -1.25 -4.87 115.64 110.21 3hhq s THR 22 Ca 0.66 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 59.26 3hhq s THR 22 Cb -0.49 -1.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.85 3hhq s THR 22 CO 0.45 -0.75 1.03 -0.54 -0.54 0.00 0.00 174.62 174.28 3hhq s LYS 23 N -3.29 3.62 0.28 3.99 1.02 -1.26 -0.43 119.74 123.68 3hhq s LYS 23 Ca 0.07 1.20 0.25 0.00 0.02 0.00 0.00 55.97 57.52 3hhq s LYS 23 Cb 0.01 -2.08 0.94 0.00 -0.52 0.00 0.00 37.83 36.19 3hhq s LYS 23 CO -0.03 -0.56 1.76 0.78 -0.92 0.00 0.00 175.35 176.37 3hhq h GLY 24 N 0.93 0.00 -2.20 -3.33 0.00 -1.95 -3.46 103.07 93.06 3hhq h GLY 24 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3hhq h GLY 24 CO 0.59 0.00 0.08 -1.35 0.00 0.00 0.00 176.54 175.86 3hhq s SER 25 N -4.59 -0.21 0.49 0.19 1.04 -1.26 -5.03 113.70 104.34 3hhq s SER 25 Ca 0.06 -0.68 0.25 0.00 0.48 0.00 0.00 55.95 56.06 3hhq s SER 25 Cb 0.10 0.66 1.29 0.00 0.10 0.00 0.00 66.02 68.17 3hhq s SER 25 CO 0.49 -1.23 2.01 0.00 0.98 0.00 0.00 173.24 175.49 3hhq h ALA 26 N 2.11 1.27 -0.64 5.32 0.00 -2.02 -3.16 119.26 122.16 3hhq h ALA 26 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hhq h ALA 26 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hhq h ALA 26 CO 0.30 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.99 3hhq n THR 27 N -3.68 1.76 -2.09 0.00 -2.24 -1.26 -4.99 114.28 101.78 3hhq n THR 27 Ca -0.02 -1.20 -0.38 0.00 -2.27 0.00 0.00 64.05 60.19 3hhq n THR 27 Cb 0.28 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.67 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq s ALA 28 N -1.78 2.97 0.22 6.98 0.00 -1.20 -4.96 121.76 123.99 3hhq s ALA 28 Ca 0.50 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3hhq s ALA 28 Cb 0.32 -3.45 0.19 0.00 0.00 0.00 0.00 23.12 20.17 3hhq s ALA 28 CO 0.25 -0.89 1.51 0.00 0.00 0.00 0.00 175.76 176.63 3hhq h ALA 29 N 1.97 0.77 -3.94 0.00 0.00 -1.94 -3.47 119.26 112.65 3hhq h ALA 29 Ca -0.50 -0.60 -0.69 0.00 0.00 0.00 0.00 54.91 53.13 3hhq h ALA 29 Cb 1.26 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 3hhq h ALA 29 CO 0.60 0.79 -0.83 0.20 0.00 0.00 0.00 179.25 180.01 3hhq s GLY 30 N -4.40 1.58 0.20 0.00 0.00 -1.26 -4.55 107.32 98.89 3hhq s GLY 30 Ca -0.03 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 3hhq s GLY 30 CO 0.80 -1.25 0.93 -0.19 0.00 0.00 0.00 173.10 173.39 3hhq s TYR 31 N -1.00 3.94 0.18 1.90 1.51 -0.07 -4.28 117.35 119.54 3hhq s TYR 31 Ca 0.15 1.87 -0.30 0.00 -1.01 0.00 0.00 57.07 57.78 3hhq s TYR 31 Cb -0.10 -2.98 -0.09 0.00 -0.11 0.00 0.00 41.96 38.68 3hhq s TYR 31 CO 0.06 0.40 1.35 -0.51 -1.11 0.00 0.00 175.55 175.75 3hhq s ASP 32 N -0.89 6.84 -0.19 2.29 1.01 0.43 -0.28 116.67 125.89 3hhq s ASP 32 Ca 0.42 2.42 -0.07 0.00 0.71 0.00 0.00 52.55 56.03 3hhq s ASP 32 Cb -0.25 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 3hhq s ASP 32 CO 0.31 -0.59 0.05 -0.63 0.21 0.00 0.00 175.17 174.52 3hhq s ILE 33 N 0.36 4.56 -0.08 0.77 -1.09 -0.86 -3.74 121.20 121.12 3hhq s ILE 33 Ca 0.59 -0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 3hhq s ILE 33 Cb -0.37 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3hhq s ILE 33 CO 0.37 0.45 0.02 -0.31 -1.23 0.00 0.00 174.94 174.24 3hhq s TYR 34 N 0.55 3.21 0.24 3.97 2.02 -1.26 -0.92 117.35 125.15 3hhq s TYR 34 Ca 0.02 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 3hhq s TYR 34 Cb -0.13 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.54 3hhq s TYR 34 CO 0.01 0.50 1.44 0.00 -1.57 0.00 0.00 175.55 175.94 3hhq s ALA 35 N -0.94 3.63 -2.01 3.71 0.00 0.09 -4.57 121.76 121.69 3hhq s ALA 35 Ca 0.15 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.65 3hhq s ALA 35 Cb -0.11 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.54 3hhq s ALA 35 CO 0.04 -0.73 1.15 -1.13 0.00 0.00 0.00 175.76 175.09 3hhq n SER 36 N 2.50 1.91 -3.78 0.00 3.41 -0.48 0.36 113.62 117.54 3hhq n SER 36 Ca 0.07 -1.44 -0.13 0.00 -0.26 0.00 0.00 58.87 57.12 3hhq n SER 36 Cb 0.40 0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.67 3hhq n SER 36 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hhq s GLN 37 N -2.48 0.33 0.49 4.33 0.74 -1.26 -4.80 119.66 117.01 3hhq s GLN 37 Ca 0.19 0.38 -0.24 0.00 0.05 0.00 0.00 55.36 55.74 3hhq s GLN 37 Cb 0.18 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 34.38 3hhq s GLN 37 CO 0.57 -0.04 1.40 -0.25 -0.55 0.00 0.00 175.29 176.42 3hhq n ASP 38 N 2.92 3.05 -3.53 6.67 8.00 -1.26 -4.03 116.55 128.37 3hhq n ASP 38 Ca -0.13 1.06 -0.17 0.00 0.71 0.00 0.00 54.79 56.26 3hhq n ASP 38 Cb 0.58 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 3hhq n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hhq s ILE 39 N -1.23 0.00 -0.13 0.53 2.07 -0.67 -4.93 121.20 116.85 3hhq s ILE 39 Ca 0.65 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.85 3hhq s ILE 39 Cb -0.44 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 3hhq s ILE 39 CO 0.54 0.00 0.02 -0.89 -1.91 0.00 0.00 174.94 172.70 3hhq s THR 40 N -1.04 4.44 -0.31 4.00 2.01 -1.26 -0.05 115.64 123.42 3hhq s THR 40 Ca -0.10 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 3hhq s THR 40 Cb -0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3hhq s THR 40 CO 0.09 0.55 0.28 -0.63 -0.69 0.00 0.00 174.62 174.22 3hhq s ILE 41 N -0.35 5.24 0.45 1.82 -1.09 0.45 -4.83 121.20 122.90 3hhq s ILE 41 Ca 0.07 0.11 -0.24 0.00 -2.23 0.00 0.00 60.65 58.36 3hhq s ILE 41 Cb -0.12 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 3hhq s ILE 41 CO 0.02 0.08 1.28 -2.84 -1.23 0.00 0.00 174.94 172.24 3hhq s PRO 42 N 1.87 3.72 0.12 2.79 0.02 -1.26 -1.39 135.00 140.87 3hhq s PRO 42 Ca 0.09 2.07 -0.35 0.00 0.02 0.00 0.00 61.00 62.84 3hhq s PRO 42 Cb -0.16 -2.54 -0.17 0.00 0.02 0.00 0.00 34.50 31.64 3hhq s PRO 42 CO 0.11 -0.67 1.09 0.00 -0.33 0.00 0.00 177.00 177.19 3hhq n ALA 43 N -0.31 -1.79 -1.45 -1.55 0.00 -1.25 -0.87 120.51 113.29 3hhq n ALA 43 Ca 0.06 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.85 3hhq n ALA 43 Cb 0.45 -1.92 -0.07 0.00 0.00 0.00 0.00 19.45 17.92 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 1.72 -1.50 0.00 0.00 2.81 0.35 -4.88 117.12 115.62 3hhq n MET 44 Ca 0.17 1.04 0.00 0.00 -1.81 0.00 0.00 57.70 57.10 3hhq n MET 44 Cb 0.20 -5.40 0.00 0.00 -0.71 0.00 0.00 33.22 27.31 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 -0.23 5.16 3.35 3.03 0.00 -0.05 -4.90 105.19 111.56 3hhq n GLY 45 Ca -0.15 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 2.13 0.82 0.13 1.61 0.74 -1.26 -0.56 119.66 123.28 3hhq s GLN 46 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 55.36 55.39 3hhq s GLN 46 Cb 0.00 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 3hhq s GLN 46 CO 0.00 -0.24 0.08 0.20 -0.55 0.00 0.00 175.29 174.78 3hhq s GLY 47 N -1.26 0.94 -0.27 2.59 0.00 -0.64 -4.49 107.32 104.19 3hhq s GLY 47 Ca -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.14 3hhq s GLY 47 CO 0.07 -1.31 0.00 1.06 0.00 0.00 0.00 173.10 172.91 3hhq s MET 48 N -4.04 2.97 -0.19 2.90 -1.94 -1.26 -1.16 119.30 116.57 3hhq s MET 48 Ca 0.23 -0.91 -0.27 0.00 -1.71 0.00 0.00 55.69 53.03 3hhq s MET 48 Cb 0.07 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 3hhq s MET 48 CO 0.02 -0.41 0.92 0.08 -0.01 0.00 0.00 175.02 175.62 3hhq s VAL 49 N 1.40 4.80 0.35 -6.03 1.01 0.84 -4.86 120.40 117.91 3hhq s VAL 49 Ca 0.01 1.81 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 3hhq s VAL 49 Cb -0.17 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 3hhq s VAL 49 CO -0.01 -0.06 1.22 -0.44 0.00 0.00 0.00 175.10 175.81 3hhq s SER 50 N 1.19 6.75 0.00 3.32 0.01 -1.26 -1.74 113.70 121.97 3hhq s SER 50 Ca 0.41 2.49 0.00 0.00 1.31 0.00 0.00 55.95 60.16 3hhq s SER 50 Cb -0.16 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3hhq s SER 50 CO 0.11 -0.53 0.00 0.35 0.41 0.00 0.00 173.24 173.58 3hhq n THR 51 N 0.58 0.00 -2.17 1.44 -2.24 -1.26 -1.38 114.28 109.24 3hhq n THR 51 Ca 0.01 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3hhq n THR 51 Cb 0.44 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.32 -3.83 -4.49 3.42 8.00 -1.26 -4.37 116.55 112.70 3hhq n ASP 52 Ca 0.00 0.22 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 3hhq n ASP 52 Cb 0.00 -3.33 -0.11 0.00 -0.02 0.00 0.00 41.12 37.66 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 -2.49 2.75 0.14 0.53 -4.36 -1.26 -0.31 121.20 116.20 3hhq s ILE 53 Ca 0.00 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.72 3hhq s ILE 53 Cb 0.00 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 3hhq s ILE 53 CO 0.00 -0.04 -0.18 -0.44 0.24 0.00 0.00 174.94 174.52 3hhq s SER 54 N -2.53 2.50 0.08 4.36 0.01 -0.70 -0.78 113.70 116.64 3hhq s SER 54 Ca 0.21 -0.81 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 3hhq s SER 54 Cb -0.09 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3hhq s SER 54 CO 0.11 -0.04 0.21 0.72 0.41 0.00 0.00 173.24 174.66 3hhq s PHE 55 N -1.87 0.09 -0.27 2.43 -0.71 -1.26 -0.80 117.98 115.59 3hhq s PHE 55 Ca 0.12 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 3hhq s PHE 55 Cb -0.07 -0.02 0.06 0.00 -1.21 0.00 0.00 43.02 41.79 3hhq s PHE 55 CO 0.05 -0.53 -0.08 0.99 -1.34 0.00 0.00 175.22 174.31 3hhq s THR 56 N -3.56 2.33 0.75 -4.49 2.01 0.06 -4.74 115.64 108.02 3hhq s THR 56 Ca 0.02 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.29 3hhq s THR 56 Cb 0.03 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.21 3hhq s THR 56 CO -0.09 -0.07 1.10 0.68 -0.69 0.00 0.00 174.62 175.55 3hhq s VAL 57 N 1.12 3.19 0.72 3.82 -7.23 -1.26 -0.72 120.40 120.04 3hhq s VAL 57 Ca -0.07 0.43 -0.16 0.00 -1.81 0.00 0.00 61.98 60.36 3hhq s VAL 57 Cb -0.20 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 33.88 3hhq s VAL 57 CO -0.04 -0.46 1.25 -2.65 -0.31 0.00 0.00 175.10 172.89 3hhq n PRO 58 N -3.28 0.72 -1.64 4.82 -0.02 -1.20 -4.87 135.00 129.52 3hhq n PRO 58 Ca 0.10 0.31 -0.45 0.00 -2.02 0.00 0.00 63.50 61.44 3hhq n PRO 58 Cb 0.53 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3hhq n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhq n VAL 59 N -2.50 1.29 -0.81 -1.45 0.31 -1.26 -2.60 118.33 111.31 3hhq n VAL 59 Ca 0.15 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3hhq n VAL 59 Cb 0.49 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 3hhq n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhq n GLY 60 N 1.74 0.56 3.36 2.92 0.00 -1.26 -4.83 105.19 107.68 3hhq n GLY 60 Ca 0.11 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 0.66 0.19 2.61 -4.23 -1.07 -1.61 115.64 110.19 3hhq s THR 61 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3hhq s THR 61 Cb 0.00 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 3hhq s THR 61 CO 0.00 0.00 0.02 -0.72 -0.54 0.00 0.00 174.62 173.38 3hhq s TYR 62 N -3.59 1.30 -0.37 3.99 1.13 -0.92 -4.62 117.35 114.27 3hhq s TYR 62 Ca 0.36 -1.03 -0.20 0.00 -1.41 0.00 0.00 57.07 54.79 3hhq s TYR 62 Cb 0.07 -0.74 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 3hhq s TYR 62 CO 0.15 -0.21 0.59 0.20 -2.51 0.00 0.00 175.55 173.76 3hhq s GLY 63 N -3.21 1.77 -0.25 5.49 0.00 -0.14 -1.51 107.32 109.47 3hhq s GLY 63 Ca 0.27 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 3hhq s GLY 63 CO 0.06 1.41 0.33 -1.60 0.00 0.00 0.00 173.10 173.30 3hhq s ARG 64 N 2.60 4.04 -0.39 2.90 3.52 0.20 -0.47 118.95 131.34 3hhq s ARG 64 Ca 0.22 -0.01 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 3hhq s ARG 64 Cb -0.15 -3.62 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3hhq s ARG 64 CO 0.15 -0.18 0.83 0.42 -0.81 0.00 0.00 175.30 175.70 3hhq s ILE 65 N 1.78 4.65 0.17 4.11 -1.09 0.13 -1.02 121.20 129.93 3hhq s ILE 65 Ca 0.14 0.83 0.09 0.00 -2.23 0.00 0.00 60.65 59.48 3hhq s ILE 65 Cb -0.15 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 3hhq s ILE 65 CO 0.09 -0.56 -0.20 0.00 -1.23 0.00 0.00 174.94 173.04 3hhq s ALA 66 N 3.29 2.11 0.59 9.38 0.00 0.44 -4.67 121.76 132.90 3hhq s ALA 66 Ca 0.33 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 3hhq s ALA 66 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3hhq s ALA 66 CO 0.20 0.29 1.06 -1.25 0.00 0.00 0.00 175.76 176.06 3hhq s PRO 67 N -2.71 3.31 0.04 0.00 0.04 -1.26 -1.74 135.00 132.69 3hhq s PRO 67 Ca 0.16 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 3hhq s PRO 67 Cb -0.06 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3hhq s PRO 67 CO 0.07 -0.82 0.85 1.03 0.04 0.00 0.00 177.00 178.17 3hhq s ARG 68 N -3.96 4.56 0.28 4.56 0.52 -1.26 -4.69 118.95 118.95 3hhq s ARG 68 Ca 0.65 1.21 0.04 0.00 -0.52 0.00 0.00 55.73 57.11 3hhq s ARG 68 Cb -0.17 -3.39 0.40 0.00 0.52 0.00 0.00 34.95 32.31 3hhq s ARG 68 CO 0.35 0.18 1.68 0.77 0.02 0.00 0.00 175.30 178.30 3hhq h SER 69 N 5.97 0.35 -0.08 0.23 0.02 -1.96 -2.97 113.55 115.11 3hhq h SER 69 Ca -0.43 -0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 60.13 3hhq h SER 69 Cb 1.21 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.67 3hhq h SER 69 CO 0.72 0.71 -0.91 1.23 -1.14 0.00 0.00 176.83 177.45 3hhq h GLY 70 N 1.16 0.84 0.62 -3.77 0.00 -1.99 -1.33 103.07 98.61 3hhq h GLY 70 Ca 0.03 -1.31 0.08 0.00 0.00 0.00 0.00 47.33 46.12 3hhq h GLY 70 CO 0.07 1.17 0.45 1.41 0.00 0.00 0.00 176.54 179.63 3hhq h LEU 71 N 0.48 0.67 0.53 3.11 3.38 -1.92 0.39 115.31 121.94 3hhq h LEU 71 Ca -0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hhq h LEU 71 Cb 1.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3hhq h LEU 71 CO 0.18 0.41 -0.37 0.00 0.09 0.00 0.00 178.44 178.76 3hhq h ALA 72 N 1.41 -0.89 -0.34 1.53 0.00 -1.43 0.62 119.26 120.16 3hhq h ALA 72 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hhq h ALA 72 Cb 0.26 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hhq h ALA 72 CO -0.21 -1.02 -0.04 0.28 0.00 0.00 0.00 179.25 178.26 3hhq h VAL 73 N -0.87 1.27 0.00 0.00 2.07 -0.85 -0.85 116.25 117.02 3hhq h VAL 73 Ca -0.06 -1.05 -0.24 0.00 0.82 0.00 0.00 66.70 66.18 3hhq h VAL 73 Cb 0.72 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3hhq h VAL 73 CO 0.03 0.34 -1.78 0.29 0.02 0.00 0.00 177.57 176.47 3hhq n LYS 74 N -4.48 0.64 0.00 1.57 5.02 0.13 -4.49 118.16 116.56 3hhq n LYS 74 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3hhq n LYS 74 Cb 0.30 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3hhq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hhq n ASN 75 N -2.85 0.98 -1.74 4.39 3.02 0.11 -5.02 115.26 114.15 3hhq n ASN 75 Ca -0.17 -1.16 -0.17 0.00 -0.03 0.00 0.00 54.58 53.05 3hhq n ASN 75 Cb 0.95 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 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 -0.08 0.32 3.82 7.41 0.00 -0.33 -4.36 105.19 111.98 3hhq n GLY 76 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.78 4.75 0.01 -0.61 -1.09 -0.85 -1.02 121.20 119.60 3hhq s ILE 77 Ca 0.00 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 3hhq s ILE 77 Cb 0.00 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3hhq s ILE 77 CO 0.00 0.48 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.59 3hhq s GLN 78 N -1.31 0.19 0.28 2.79 2.00 -0.40 -3.57 119.66 119.64 3hhq s GLN 78 Ca 0.31 -0.23 -0.27 0.00 -2.00 0.00 0.00 55.36 53.16 3hhq s GLN 78 Cb -0.19 -0.07 -0.09 0.00 0.80 0.00 0.00 33.01 33.46 3hhq s GLN 78 CO 0.19 0.01 0.93 0.95 -0.50 0.00 0.00 175.29 176.87 3hhq s THR 79 N -0.47 4.17 0.59 -0.34 -4.23 -1.26 0.11 115.64 114.21 3hhq s THR 79 Ca -0.04 1.91 0.08 0.00 -1.18 0.00 0.00 61.69 62.47 3hhq s THR 79 Cb -0.03 -4.14 0.08 0.00 1.34 0.00 0.00 72.50 69.75 3hhq s THR 79 CO -0.00 0.30 0.70 -0.83 -0.54 0.00 0.00 174.62 174.25 3hhq s GLY 80 N -1.42 1.91 0.00 3.99 0.00 0.67 -4.86 107.32 107.61 3hhq s GLY 80 Ca 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3hhq s GLY 80 CO 0.27 -1.79 0.00 0.00 0.00 0.00 0.00 173.10 171.58 3hhq n ALA 81 N -2.15 0.00 -0.09 3.20 0.00 -1.26 -4.38 120.51 115.82 3hhq n ALA 81 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hhq n ALA 81 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.51 3.40 0.00 0.00 -1.26 -4.92 105.19 102.92 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 -2.22 4.95 -0.45 1.61 1.01 -1.26 -0.69 120.40 123.35 3hhq s VAL 83 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 3hhq s VAL 83 Cb 0.00 -4.33 0.05 0.00 0.00 0.00 0.00 36.38 32.10 3hhq s VAL 83 CO 0.00 -0.87 0.39 -0.69 0.00 0.00 0.00 175.10 173.93 3hhq s VAL 84 N 2.38 5.21 0.62 2.92 1.01 0.38 -4.99 120.40 127.93 3hhq s VAL 84 Ca 0.11 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 3hhq s VAL 84 Cb -0.23 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3hhq s VAL 84 CO 0.08 -0.50 1.14 -1.81 0.00 0.00 0.00 175.10 174.02 3hhq s ASP 85 N 2.25 5.19 0.52 3.32 1.11 -1.26 -0.97 116.67 126.84 3hhq s ASP 85 Ca 0.06 2.15 0.17 0.00 0.18 0.00 0.00 52.55 55.10 3hhq s ASP 85 Cb -0.22 -2.57 1.29 0.00 1.07 0.00 0.00 42.92 42.50 3hhq s ASP 85 CO 0.09 -1.58 2.15 -0.09 1.18 0.00 0.00 175.17 176.92 3hhq h ARG 86 N 0.46 0.00 -0.64 8.23 2.43 -1.92 -2.17 114.38 120.77 3hhq h ARG 86 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hhq h ARG 86 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hhq h ARG 86 CO 0.54 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.60 3hhq n ASP 87 N -4.51 3.77 -4.67 -3.80 3.85 -1.26 -4.45 116.55 105.47 3hhq n ASP 87 Ca -0.03 -2.16 -0.43 0.00 -0.71 0.00 0.00 54.79 51.46 3hhq n ASP 87 Cb 0.09 -0.48 -0.02 0.00 -1.35 0.00 0.00 41.12 39.37 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 -1.41 3.34 -0.69 2.11 5.04 -0.82 -4.91 117.35 120.01 3hhq s TYR 88 Ca 0.44 1.46 0.06 0.00 -2.44 0.00 0.00 57.07 56.59 3hhq s TYR 88 Cb 0.25 -3.27 0.07 0.00 0.35 0.00 0.00 41.96 39.36 3hhq s TYR 88 CO 0.26 -0.51 0.76 0.25 -1.34 0.00 0.00 175.55 174.97 3hhq n THR 89 N 5.16 0.17 -1.20 4.34 -2.24 -1.26 -4.52 114.28 114.72 3hhq n THR 89 Ca 0.11 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 3hhq n THR 89 Cb 0.46 1.02 0.22 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.57 1.60 0.15 3.38 0.00 -1.26 -4.88 107.32 105.73 3hhq s GLY 90 Ca 0.08 -0.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.64 3hhq s GLY 90 CO 0.07 -0.04 1.72 1.85 0.00 0.00 0.00 173.10 176.70 3hhq s GLU 91 N -5.37 4.16 -0.66 2.90 2.12 -1.26 -4.46 118.70 116.13 3hhq s GLU 91 Ca 0.70 2.51 -0.27 0.00 0.36 0.00 0.00 54.97 58.27 3hhq s GLU 91 Cb -0.11 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.97 3hhq s GLU 91 CO 0.56 -0.75 1.21 0.08 -0.54 0.00 0.00 175.26 175.81 3hhq s VAL 92 N 1.92 3.91 0.16 3.70 1.01 0.04 -5.00 120.40 126.15 3hhq s VAL 92 Ca 0.76 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 3hhq s VAL 92 Cb -0.46 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.07 3hhq s VAL 92 CO 0.33 -1.59 0.36 -0.54 0.00 0.00 0.00 175.10 173.67 3hhq s LYS 93 N 5.23 3.55 -0.23 2.72 1.02 -1.26 -4.18 119.74 126.57 3hhq s LYS 93 Ca 0.37 -0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.03 3hhq s LYS 93 Cb -0.09 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 3hhq s LYS 93 CO 0.19 0.45 0.07 0.08 -0.92 0.00 0.00 175.35 175.22 3hhq s VAL 94 N -1.75 4.40 -0.20 3.17 1.01 -0.71 -4.91 120.40 121.41 3hhq s VAL 94 Ca 0.39 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 3hhq s VAL 94 Cb -0.12 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3hhq s VAL 94 CO 0.27 0.37 0.71 -0.69 0.00 0.00 0.00 175.10 175.76 3hhq s VAL 95 N 1.31 4.96 -0.12 2.92 1.01 -1.26 -0.11 120.40 129.10 3hhq s VAL 95 Ca 0.05 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.39 3hhq s VAL 95 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3hhq s VAL 95 CO 0.03 0.06 -0.16 -0.76 0.00 0.00 0.00 175.10 174.27 3hhq s LEU 96 N 2.12 2.52 -0.17 3.92 1.43 -0.31 -0.24 118.68 127.96 3hhq s LEU 96 Ca 0.32 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3hhq s LEU 96 Cb -0.16 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3hhq s LEU 96 CO 0.10 0.16 0.15 -0.36 0.23 0.00 0.00 176.35 176.64 3hhq s PHE 97 N 0.37 3.48 -0.41 0.29 0.40 0.12 -1.62 117.98 120.60 3hhq s PHE 97 Ca -0.13 0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 56.56 3hhq s PHE 97 Cb -0.16 -2.11 0.09 0.00 0.51 0.00 0.00 43.02 41.34 3hhq s PHE 97 CO 0.06 0.43 0.22 1.21 0.70 0.00 0.00 175.22 177.85 3hhq s ASN 98 N -0.09 5.46 0.00 1.36 3.84 0.28 -1.28 114.94 124.51 3hhq s ASN 98 Ca 0.11 -1.66 0.20 0.00 0.21 0.00 0.00 52.86 51.72 3hhq s ASN 98 Cb -0.12 -1.92 0.60 0.00 -0.55 0.00 0.00 41.25 39.27 3hhq s ASN 98 CO 0.01 -0.52 1.47 1.41 -2.79 0.00 0.00 177.10 176.67 3hhq n HIS 99 N 4.80 0.34 -2.61 0.43 8.25 -0.19 -0.50 115.22 125.74 3hhq n HIS 99 Ca -0.08 -0.17 -0.23 0.00 -0.26 0.00 0.00 57.72 56.98 3hhq n HIS 99 Cb 0.42 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.43 4.50 0.00 0.41 1.04 -1.26 -4.75 113.70 112.22 3hhq s SER 100 Ca 0.33 -0.34 0.18 0.00 0.48 0.00 0.00 55.95 56.60 3hhq s SER 100 Cb 0.18 -0.11 0.74 0.00 0.10 0.00 0.00 66.02 66.93 3hhq s SER 100 CO 0.26 -1.75 1.52 0.00 0.98 0.00 0.00 173.24 174.25 3hhq n GLN 101 N -2.74 1.53 -4.98 4.02 1.13 -1.26 -1.39 117.38 113.69 3hhq n GLN 101 Ca 0.14 -0.81 -0.32 0.00 -1.94 0.00 0.00 57.00 54.07 3hhq n GLN 101 Cb 0.61 -1.34 -0.15 0.00 0.11 0.00 0.00 30.24 29.47 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 -1.82 2.97 0.34 -1.09 0.52 -1.26 -4.82 118.95 113.79 3hhq s ARG 102 Ca 0.29 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 3hhq s ARG 102 Cb 0.15 -2.42 -0.12 0.00 0.52 0.00 0.00 34.95 33.08 3hhq s ARG 102 CO 0.23 0.33 1.47 -0.25 0.02 0.00 0.00 175.30 177.10 3hhq n ASP 103 N 3.14 3.54 -4.26 0.23 10.43 -1.26 -3.88 116.55 124.49 3hhq n ASP 103 Ca -0.18 1.20 -0.38 0.00 2.57 0.00 0.00 54.79 58.00 3hhq n ASP 103 Cb 0.52 -1.58 -0.12 0.00 1.84 0.00 0.00 41.12 41.79 3hhq n ASP 103 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3hhq s PHE 104 N -0.78 3.29 0.08 1.24 5.99 -0.49 -4.91 117.98 122.41 3hhq s PHE 104 Ca 0.57 -1.52 -0.28 0.00 0.00 0.00 0.00 56.93 55.70 3hhq s PHE 104 Cb -0.51 -2.45 -0.05 0.00 0.00 0.00 0.00 43.02 40.00 3hhq s PHE 104 CO 0.59 -0.77 0.90 0.00 -0.00 0.00 0.00 175.22 175.94 3hhq s ALA 105 N 1.38 3.28 -0.04 11.12 0.00 -1.26 -0.41 121.76 135.83 3hhq s ALA 105 Ca -0.00 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.49 3hhq s ALA 105 Cb -0.20 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3hhq s ALA 105 CO 0.02 -0.01 -0.19 0.42 0.00 0.00 0.00 175.76 175.99 3hhq s ILE 106 N 0.05 1.57 0.02 0.00 1.01 0.92 -4.99 121.20 119.79 3hhq s ILE 106 Ca 0.45 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hhq s ILE 106 Cb -0.22 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3hhq s ILE 106 CO 0.28 0.45 0.01 -0.54 0.00 0.00 0.00 174.94 175.13 3hhq s LYS 107 N -0.18 2.76 0.06 2.79 -0.14 -1.26 -1.66 119.74 122.12 3hhq s LYS 107 Ca 0.00 -0.65 -0.36 0.00 -1.36 0.00 0.00 55.97 53.61 3hhq s LYS 107 Cb -0.10 -2.66 -0.19 0.00 -1.68 0.00 0.00 37.83 33.20 3hhq s LYS 107 CO 0.01 0.61 0.89 1.17 -0.76 0.00 0.00 175.35 177.27 3hhq n LYS 108 N 1.18 0.00 0.00 1.68 4.81 -1.26 -1.32 118.16 123.26 3hhq n LYS 108 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3hhq n LYS 108 Cb 0.52 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.25 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 1.63 1.42 3.79 3.14 0.00 0.16 -4.95 105.19 110.38 3hhq n GLY 109 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.37 6.89 0.08 1.61 1.01 -0.43 -4.80 116.67 118.66 3hhq s ASP 110 Ca 0.00 1.95 -0.26 0.00 0.71 0.00 0.00 52.55 54.96 3hhq s ASP 110 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 3hhq s ASP 110 CO 0.00 -0.40 0.79 -0.13 0.21 0.00 0.00 175.17 175.64 3hhq s ARG 111 N -2.50 4.53 0.00 8.23 0.52 -1.26 -0.73 118.95 127.74 3hhq s ARG 111 Ca 0.57 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 3hhq s ARG 111 Cb -0.20 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3hhq s ARG 111 CO 0.25 0.34 0.00 1.33 0.02 0.00 0.00 175.30 177.24 3hhq n VAL 112 N 2.55 0.00 -2.97 3.52 0.24 -0.10 -4.93 118.33 116.64 3hhq n VAL 112 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3hhq n VAL 112 Cb 0.50 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq n ALA 113 N -1.27 0.00 -3.13 2.33 0.00 -1.24 -4.67 120.51 112.54 3hhq n ALA 113 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hhq n ALA 113 Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 3hhq n ALA 113 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3hhq s GLN 114 N -1.66 0.43 -0.20 0.00 -2.07 -0.71 -2.02 119.66 113.43 3hhq s GLN 114 Ca 0.00 -0.09 -0.06 0.00 -1.82 0.00 0.00 55.36 53.38 3hhq s GLN 114 Cb 0.00 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 3hhq s GLN 114 CO 0.00 -0.09 0.03 -1.17 -1.32 0.00 0.00 175.29 172.74 3hhq s LEU 115 N -0.80 3.49 -0.09 2.60 2.96 0.61 -0.42 118.68 127.03 3hhq s LEU 115 Ca -0.09 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3hhq s LEU 115 Cb -0.05 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3hhq s LEU 115 CO 0.02 0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.30 3hhq s ILE 116 N 0.82 2.35 -0.92 6.68 1.01 -0.19 -0.89 121.20 130.06 3hhq s ILE 116 Ca 0.02 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 3hhq s ILE 116 Cb -0.14 -1.90 0.10 0.00 0.01 0.00 0.00 42.46 40.53 3hhq s ILE 116 CO 0.02 0.56 1.20 -0.76 0.00 0.00 0.00 174.94 175.96 3hhq s LEU 117 N 0.07 4.48 -0.08 2.97 1.43 -1.26 -0.63 118.68 125.66 3hhq s LEU 117 Ca -0.09 -1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 51.03 3hhq s LEU 117 Cb -0.15 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 3hhq s LEU 117 CO 0.06 -1.26 0.89 -1.61 0.23 0.00 0.00 176.35 174.66 3hhq s GLU 118 N 3.58 4.43 0.30 1.70 0.41 -0.57 -4.88 118.70 123.69 3hhq s GLU 118 Ca 0.35 1.20 -0.27 0.00 -0.41 0.00 0.00 54.97 55.84 3hhq s GLU 118 Cb -0.05 -3.51 -0.09 0.00 -1.78 0.00 0.00 34.13 28.70 3hhq s GLU 118 CO -0.06 -0.17 0.98 0.15 -0.49 0.00 0.00 175.26 175.67 3hhq s LYS 119 N 1.52 4.61 0.10 1.61 1.02 -1.26 -2.16 119.74 125.17 3hhq s LYS 119 Ca 0.45 1.47 -0.05 0.00 0.02 0.00 0.00 55.97 57.85 3hhq s LYS 119 Cb -0.18 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3hhq s LYS 119 CO 0.19 0.28 0.12 0.96 -0.92 0.00 0.00 175.35 175.98 3hhq s ILE 120 N -1.43 0.15 -0.47 2.17 -4.36 -0.63 -4.97 121.20 111.65 3hhq s ILE 120 Ca 0.48 -1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 59.12 3hhq s ILE 120 Cb -0.23 -1.60 0.03 0.00 1.25 0.00 0.00 42.46 41.91 3hhq s ILE 120 CO 0.29 -0.66 0.82 -0.69 0.24 0.00 0.00 174.94 174.94 3hhq s VAL 121 N -3.93 4.60 -2.19 8.37 1.01 -1.26 -4.66 120.40 122.35 3hhq s VAL 121 Ca 0.11 0.42 0.20 0.00 0.00 0.00 0.00 61.98 62.70 3hhq s VAL 121 Cb 0.06 -4.36 0.30 0.00 0.00 0.00 0.00 36.38 32.38 3hhq s VAL 121 CO -0.07 -0.78 1.25 -0.90 0.00 0.00 0.00 175.10 174.60 3hhq n ASP 122 N 6.84 3.03 -1.71 3.32 3.85 -1.26 -4.43 116.55 126.20 3hhq n ASP 122 Ca 0.02 -1.89 -0.04 0.00 -0.71 0.00 0.00 54.79 52.17 3hhq n ASP 122 Cb 0.48 -0.15 0.08 0.00 -1.35 0.00 0.00 41.12 40.18 3hhq n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3hhq n ASP 123 N 1.19 2.44 -4.72 -1.12 3.85 -1.26 -5.08 116.55 111.85 3hhq n ASP 123 Ca 0.15 -3.02 -0.37 0.00 -0.71 0.00 0.00 54.79 50.83 3hhq n ASP 123 Cb 0.52 -0.41 0.07 0.00 -1.35 0.00 0.00 41.12 39.95 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq n ALA 124 N -0.54 1.13 -2.72 2.12 0.00 -1.26 -5.01 120.51 114.23 3hhq n ALA 124 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 3hhq n ALA 124 Cb 0.89 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 3hhq n ALA 124 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hhq s GLN 125 N -3.34 4.06 -0.10 0.00 -1.52 -1.26 -5.07 119.66 112.43 3hhq s GLN 125 Ca 0.82 -0.28 -0.24 0.00 -1.95 0.00 0.00 55.36 53.71 3hhq s GLN 125 Cb -0.38 -3.45 -0.03 0.00 -0.22 0.00 0.00 33.01 28.93 3hhq s GLN 125 CO 0.41 0.13 0.77 0.42 -0.25 0.00 0.00 175.29 176.76 3hhq s ILE 126 N 0.84 4.97 -0.09 1.08 1.01 -1.26 -5.04 121.20 122.71 3hhq s ILE 126 Ca 0.07 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.30 3hhq s ILE 126 Cb -0.13 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.26 3hhq s ILE 126 CO 0.02 0.16 -0.19 -0.69 0.00 0.00 0.00 174.94 174.25 3hhq s VAL 127 N 1.34 1.67 -0.23 2.92 1.01 -1.26 -5.12 120.40 120.74 3hhq s VAL 127 Ca 0.39 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3hhq s VAL 127 Cb -0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3hhq s VAL 127 CO 0.17 0.47 0.17 -0.69 0.00 0.00 0.00 175.10 175.22 3hhq s VAL 128 N 0.58 5.36 0.18 2.92 1.01 -1.26 -5.08 120.40 124.11 3hhq s VAL 128 Ca -0.15 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3hhq s VAL 128 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3hhq s VAL 128 CO 0.05 0.36 -0.19 0.68 0.00 0.00 0.00 175.10 175.99 3hhq s VAL 129 N 0.94 1.97 0.26 2.92 -7.23 -1.26 -5.05 120.40 112.95 3hhq s VAL 129 Ca 0.08 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3hhq s VAL 129 Cb -0.13 -1.94 0.10 0.00 0.56 0.00 0.00 36.38 34.98 3hhq s VAL 129 CO 0.03 -0.29 1.75 0.44 -0.31 0.00 0.00 175.10 176.72 3hhq h ASP 130 N 3.16 0.75 -5.06 4.85 3.32 -2.04 -3.45 116.42 117.94 3hhq h ASP 130 Ca -0.43 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.38 3hhq h ASP 130 Cb 1.21 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 3hhq h ASP 130 CO 0.51 0.83 -0.04 -0.94 -1.72 0.00 0.00 179.24 177.88 3hhq s SER 131 N -6.66 -0.28 0.09 6.45 1.04 -1.26 -5.04 113.70 108.04 3hhq s SER 131 Ca -0.09 -0.25 0.26 0.00 0.48 0.00 0.00 55.95 56.35 3hhq s SER 131 Cb 0.14 0.48 0.81 0.00 0.10 0.00 0.00 66.02 67.56 3hhq s SER 131 CO 0.81 -0.85 1.68 0.18 0.98 0.00 0.00 173.24 176.05 3hhq n LEU 132 N -0.17 0.49 -0.50 2.42 4.77 -1.26 -5.21 117.00 117.54 3hhq n LEU 132 Ca -0.16 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 3hhq n LEU 132 Cb 0.63 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3hhq n LEU 132 CO 0.17 -0.05 0.45 1.21 -1.33 0.00 0.00 177.39 177.83