#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 0.54 -0.27 -0.18 1.01 -1.26 -5.08 120.40 115.16 3hhq s VAL 8 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3hhq s VAL 8 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3hhq s VAL 8 CO 0.00 0.21 0.10 -0.22 0.00 0.00 0.00 175.10 175.19 3hhq s LEU 9 N 0.68 3.68 -0.20 3.92 2.96 -1.26 -3.72 118.68 124.73 3hhq s LEU 9 Ca -0.09 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 3hhq s LEU 9 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3hhq s LEU 9 CO 0.00 -0.08 0.36 -0.54 -1.32 0.00 0.00 176.35 174.77 3hhq s LYS 10 N 1.62 4.18 -0.12 1.98 1.02 -0.68 -4.96 119.74 122.77 3hhq s LYS 10 Ca 0.06 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.19 3hhq s LYS 10 Cb -0.16 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3hhq s LYS 10 CO 0.05 0.01 -0.14 0.42 -0.92 0.00 0.00 175.35 174.76 3hhq s ILE 11 N 1.17 2.94 -0.14 2.17 -1.09 -1.26 -1.18 121.20 123.81 3hhq s ILE 11 Ca 0.18 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3hhq s ILE 11 Cb -0.14 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 3hhq s ILE 11 CO 0.07 0.53 -0.07 -1.58 -1.23 0.00 0.00 174.94 172.67 3hhq s GLN 12 N 0.24 3.50 -0.36 2.79 0.74 -0.22 -5.00 119.66 121.35 3hhq s GLN 12 Ca -0.10 -0.57 -0.15 0.00 0.05 0.00 0.00 55.36 54.60 3hhq s GLN 12 Cb -0.16 -2.80 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 3hhq s GLN 12 CO 0.06 0.28 0.33 -0.51 -0.55 0.00 0.00 175.29 174.89 3hhq s LEU 13 N 0.24 4.64 0.08 3.68 1.43 -1.26 -1.89 118.68 125.59 3hhq s LEU 13 Ca -0.04 -0.46 0.26 0.00 -1.03 0.00 0.00 54.13 52.85 3hhq s LEU 13 Cb -0.14 -2.26 0.64 0.00 0.03 0.00 0.00 46.19 44.46 3hhq s LEU 13 CO 0.04 -0.36 1.54 0.54 0.23 0.00 0.00 176.35 178.33 3hhq n ARG 14 N 5.30 0.15 -3.94 1.70 1.74 0.74 -4.92 116.66 117.44 3hhq n ARG 14 Ca -0.10 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 3hhq n ARG 14 Cb 0.49 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 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 -3.72 0.18 0.45 0.55 1.04 -1.25 -5.02 113.70 105.94 3hhq s SER 15 Ca 0.10 -1.10 0.31 0.00 0.48 0.00 0.00 55.95 55.74 3hhq s SER 15 Cb 0.15 0.72 1.38 0.00 0.10 0.00 0.00 66.02 68.37 3hhq s SER 15 CO 0.66 -1.40 1.92 0.00 0.98 0.00 0.00 173.24 175.40 3hhq h ALA 16 N 2.09 1.00 0.00 5.32 0.00 -1.95 -3.04 119.26 122.68 3hhq h ALA 16 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 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 0.36 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.38 3hhq h SER 17 N 0.00 0.00 -4.01 0.00 0.02 -1.95 -3.46 113.55 104.15 3hhq h SER 17 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3hhq h SER 17 Cb 0.34 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.89 3hhq h SER 17 CO 0.00 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 176.07 3hhq s ALA 18 N -3.27 3.03 -0.11 3.77 0.00 -1.15 -4.47 121.76 119.56 3hhq s ALA 18 Ca 0.07 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3hhq s ALA 18 Cb 0.10 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3hhq s ALA 18 CO 0.51 -0.11 -0.19 0.99 0.00 0.00 0.00 175.76 176.97 3hhq s THR 19 N -1.87 2.52 0.15 0.00 2.01 -1.26 -4.99 115.64 112.19 3hhq s THR 19 Ca 0.61 -0.86 -0.34 0.00 0.31 0.00 0.00 61.69 61.41 3hhq s THR 19 Cb -0.17 -2.00 -0.13 0.00 0.01 0.00 0.00 72.50 70.20 3hhq s THR 19 CO 0.21 0.55 1.62 0.52 -0.69 0.00 0.00 174.62 176.83 3hhq n VAL 20 N 3.42 0.05 -1.60 3.82 0.31 -1.26 -4.78 118.33 118.29 3hhq n VAL 20 Ca -0.18 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.74 3hhq n VAL 20 Cb 0.53 -1.61 0.02 0.00 -0.91 0.00 0.00 33.84 31.87 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 3.74 1.17 -4.86 5.55 -0.02 -1.26 -5.00 135.00 134.32 3hhq n PRO 21 Ca 0.17 0.43 -0.27 0.00 -2.02 0.00 0.00 63.50 61.81 3hhq n PRO 21 Cb 0.29 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.38 1.79 0.52 3.45 -4.23 -1.16 -4.85 115.64 109.78 3hhq s THR 22 Ca 0.67 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3hhq s THR 22 Cb -0.51 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 3hhq s THR 22 CO 0.54 0.34 0.01 -0.75 -0.54 0.00 0.00 174.62 174.23 3hhq s LYS 23 N -0.95 2.21 0.91 3.99 2.20 -1.26 0.32 119.74 127.15 3hhq s LYS 23 Ca 0.09 -2.43 -0.19 0.00 -0.36 0.00 0.00 55.97 53.08 3hhq s LYS 23 Cb -0.09 -1.45 -0.15 0.00 -1.51 0.00 0.00 37.83 34.63 3hhq s LYS 23 CO 0.01 -0.41 -0.96 -1.13 -0.36 0.00 0.00 175.35 172.50 3hhq n SER 25 N -1.32 -4.64 0.01 1.43 3.41 -1.26 -5.08 113.62 106.18 3hhq n SER 25 Ca -0.20 0.11 -0.07 0.00 -0.26 0.00 0.00 58.87 58.45 3hhq n SER 25 Cb 0.67 -0.62 0.12 0.00 -0.26 0.00 0.00 64.21 64.12 3hhq n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhq h ALA 26 N -0.91 0.87 -0.98 7.33 0.00 -2.05 -3.19 119.26 120.32 3hhq h ALA 26 Ca -0.39 -0.45 -0.67 0.00 0.00 0.00 0.00 54.91 53.40 3hhq h ALA 26 Cb 1.21 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 3hhq h ALA 26 CO 0.20 0.64 0.67 0.25 0.00 0.00 0.00 179.25 181.02 3hhq n THR 27 N -4.02 3.48 -4.07 0.00 -2.24 -1.26 -4.91 114.28 101.27 3hhq n THR 27 Ca -0.02 -3.31 -0.32 0.00 -2.27 0.00 0.00 64.05 58.13 3hhq n THR 27 Cb 0.52 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.83 3.62 0.21 6.98 0.00 -1.21 -5.04 121.76 122.50 3hhq s ALA 28 Ca 0.61 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 3hhq s ALA 28 Cb 0.49 -1.57 0.17 0.00 0.00 0.00 0.00 23.12 22.21 3hhq s ALA 28 CO -0.06 0.72 1.64 0.00 0.00 0.00 0.00 175.76 178.05 3hhq h ALA 29 N 3.80 0.88 -2.42 0.00 0.00 -1.91 -3.48 119.26 116.13 3hhq h ALA 29 Ca -0.48 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 53.81 3hhq h ALA 29 Cb 1.18 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 3hhq h ALA 29 CO 0.64 0.63 -0.71 0.20 0.00 0.00 0.00 179.25 180.02 3hhq s GLY 30 N -3.80 0.81 -0.17 0.00 0.00 -1.26 -4.57 107.32 98.33 3hhq s GLY 30 Ca -0.10 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.22 3hhq s GLY 30 CO 0.84 -1.38 0.19 -0.19 0.00 0.00 0.00 173.10 172.56 3hhq s TYR 31 N -3.13 3.46 0.24 1.90 1.51 0.18 -4.72 117.35 116.78 3hhq s TYR 31 Ca 0.09 0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 56.31 3hhq s TYR 31 Cb 0.02 -2.20 -0.10 0.00 -0.11 0.00 0.00 41.96 39.57 3hhq s TYR 31 CO -0.02 0.34 1.42 -0.51 -1.11 0.00 0.00 175.55 175.66 3hhq s ASP 32 N 0.19 6.70 -0.09 2.29 1.01 0.15 -0.75 116.67 126.17 3hhq s ASP 32 Ca 0.12 2.61 0.02 0.00 0.71 0.00 0.00 52.55 56.01 3hhq s ASP 32 Cb -0.12 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 3hhq s ASP 32 CO 0.01 -0.67 -0.13 -0.63 0.21 0.00 0.00 175.17 173.96 3hhq s ILE 33 N 0.06 3.08 -0.04 0.77 1.01 -0.62 -3.00 121.20 122.46 3hhq s ILE 33 Ca 0.59 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.62 3hhq s ILE 33 Cb -0.41 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3hhq s ILE 33 CO 0.42 0.56 -0.24 -0.31 0.00 0.00 0.00 174.94 175.37 3hhq s TYR 34 N -0.19 2.27 0.53 3.97 2.02 -1.26 -0.15 117.35 124.55 3hhq s TYR 34 Ca 0.00 -0.60 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 3hhq s TYR 34 Cb -0.13 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.89 3hhq s TYR 34 CO 0.03 -0.15 1.24 0.00 -1.57 0.00 0.00 175.55 175.09 3hhq s ALA 35 N -0.27 2.78 -0.31 3.71 0.00 0.61 -4.56 121.76 123.73 3hhq s ALA 35 Ca 0.01 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.12 3hhq s ALA 35 Cb -0.12 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 3hhq s ALA 35 CO 0.02 -1.04 0.30 -1.13 0.00 0.00 0.00 175.76 173.91 3hhq n SER 36 N -1.03 0.79 -3.89 0.00 3.41 -0.28 -0.06 113.62 112.56 3hhq n SER 36 Ca 0.10 -0.58 -0.11 0.00 -0.26 0.00 0.00 58.87 58.03 3hhq n SER 36 Cb 0.48 1.05 -0.12 0.00 -0.26 0.00 0.00 64.21 65.37 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 -1.85 0.27 0.31 4.33 0.74 -1.26 -4.78 119.66 117.43 3hhq s GLN 37 Ca 0.02 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 3hhq s GLN 37 Cb 0.06 0.11 -0.12 0.00 1.10 0.00 0.00 33.01 34.15 3hhq s GLN 37 CO 0.32 -0.05 1.40 -0.25 -0.55 0.00 0.00 175.29 176.15 3hhq n ASP 38 N 2.16 3.05 -3.61 6.67 9.92 -1.26 -4.26 116.55 129.22 3hhq n ASP 38 Ca -0.19 1.18 -0.16 0.00 -0.53 0.00 0.00 54.79 55.09 3hhq n ASP 38 Cb 0.57 -1.50 -0.07 0.00 -0.64 0.00 0.00 41.12 39.48 3hhq n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hhq s ILE 39 N -0.61 0.02 -0.18 0.53 2.07 -0.43 -4.95 121.20 117.64 3hhq s ILE 39 Ca 0.60 -0.19 -0.04 0.00 -1.41 0.00 0.00 60.65 59.61 3hhq s ILE 39 Cb -0.57 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 3hhq s ILE 39 CO 0.56 -0.10 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.59 3hhq s THR 40 N -1.39 3.95 -0.28 4.00 2.01 -1.26 -0.09 115.64 122.57 3hhq s THR 40 Ca -0.11 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 3hhq s THR 40 Cb -0.02 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3hhq s THR 40 CO 0.07 0.46 0.67 -0.63 -0.69 0.00 0.00 174.62 174.50 3hhq s ILE 41 N 0.69 4.92 0.48 1.82 -1.09 0.15 -4.90 121.20 123.27 3hhq s ILE 41 Ca -0.01 1.06 -0.22 0.00 -2.23 0.00 0.00 60.65 59.25 3hhq s ILE 41 Cb -0.14 -4.01 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 3hhq s ILE 41 CO 0.02 -0.10 1.14 -2.84 -1.23 0.00 0.00 174.94 171.93 3hhq s PRO 42 N 2.65 3.68 0.23 2.79 0.02 -1.26 -0.36 135.00 142.74 3hhq s PRO 42 Ca 0.27 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 3hhq s PRO 42 Cb -0.15 -2.29 -0.13 0.00 0.02 0.00 0.00 34.50 31.95 3hhq s PRO 42 CO 0.10 -0.60 1.42 0.00 -0.33 0.00 0.00 177.00 177.59 3hhq n ALA 43 N -0.71 1.08 -1.91 -1.55 0.00 -1.26 -1.19 120.51 114.97 3hhq n ALA 43 Ca 0.08 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 3hhq n ALA 43 Cb 0.49 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 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 2.14 -1.61 0.00 0.00 2.81 0.25 -4.87 117.12 115.83 3hhq n MET 44 Ca 0.12 0.95 0.00 0.00 -1.81 0.00 0.00 57.70 56.96 3hhq n MET 44 Cb 0.31 -5.42 0.00 0.00 -0.71 0.00 0.00 33.22 27.40 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 -0.59 5.32 3.41 3.03 0.00 -0.33 -4.93 105.19 111.10 3hhq n GLY 45 Ca -0.19 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 1.96 1.15 0.21 1.61 0.74 -1.26 -1.08 119.66 123.00 3hhq s GLN 46 Ca 0.00 -0.33 -0.21 0.00 0.05 0.00 0.00 55.36 54.86 3hhq s GLN 46 Cb 0.00 0.53 0.05 0.00 1.10 0.00 0.00 33.01 34.69 3hhq s GLN 46 CO 0.00 -0.46 0.63 0.20 -0.55 0.00 0.00 175.29 175.11 3hhq s GLY 47 N -2.33 -0.35 -0.21 2.59 0.00 -0.18 -4.46 107.32 102.37 3hhq s GLY 47 Ca -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 3hhq s GLY 47 CO -0.07 0.01 -0.02 1.06 0.00 0.00 0.00 173.10 174.08 3hhq s MET 48 N -3.83 3.47 -0.20 2.90 -1.94 -1.26 -0.97 119.30 117.47 3hhq s MET 48 Ca 0.06 -0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 53.26 3hhq s MET 48 Cb -0.03 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 3hhq s MET 48 CO -0.05 -0.12 0.58 0.08 -0.01 0.00 0.00 175.02 175.50 3hhq s VAL 49 N 1.32 5.06 0.42 -6.03 1.01 0.10 -4.91 120.40 117.37 3hhq s VAL 49 Ca 0.04 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 3hhq s VAL 49 Cb -0.14 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3hhq s VAL 49 CO -0.01 0.14 1.24 -0.44 0.00 0.00 0.00 175.10 176.03 3hhq s SER 50 N 1.21 6.32 -0.01 3.32 0.01 -1.26 -0.57 113.70 122.71 3hhq s SER 50 Ca 0.26 2.50 0.02 0.00 1.31 0.00 0.00 55.95 60.04 3hhq s SER 50 Cb -0.16 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 3hhq s SER 50 CO 0.10 -0.83 0.02 0.35 0.41 0.00 0.00 173.24 173.30 3hhq n THR 51 N -0.02 0.08 -3.43 1.44 -2.24 -1.26 -1.13 114.28 107.73 3hhq n THR 51 Ca 0.05 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 3hhq n THR 51 Cb 0.45 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.88 -3.65 -4.41 3.42 8.00 -1.26 -4.39 116.55 112.38 3hhq n ASP 52 Ca -0.02 -0.44 -0.24 0.00 0.71 0.00 0.00 54.79 54.80 3hhq n ASP 52 Cb 0.37 -3.02 -0.11 0.00 -0.02 0.00 0.00 41.12 38.33 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 -2.95 2.20 0.10 0.53 -4.36 -1.26 -0.19 121.20 115.27 3hhq s ILE 53 Ca 0.43 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.71 3hhq s ILE 53 Cb -0.23 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 3hhq s ILE 53 CO 0.53 -0.33 -0.16 -0.44 0.24 0.00 0.00 174.94 174.78 3hhq s SER 54 N -3.06 2.01 0.11 4.36 0.01 -0.79 -1.36 113.70 114.97 3hhq s SER 54 Ca 0.23 -0.70 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 3hhq s SER 54 Cb -0.05 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3hhq s SER 54 CO 0.11 -0.06 0.15 0.72 0.41 0.00 0.00 173.24 174.56 3hhq s PHE 55 N -1.53 0.43 -0.21 2.43 -0.71 -1.26 -1.06 117.98 116.07 3hhq s PHE 55 Ca 0.04 -0.85 0.02 0.00 -1.04 0.00 0.00 56.93 55.09 3hhq s PHE 55 Cb -0.08 -0.21 0.04 0.00 -1.21 0.00 0.00 43.02 41.56 3hhq s PHE 55 CO 0.03 -0.55 -0.13 0.99 -1.34 0.00 0.00 175.22 174.22 3hhq s THR 56 N -3.94 1.91 0.70 -4.49 2.01 -0.32 -4.74 115.64 106.76 3hhq s THR 56 Ca 0.12 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 3hhq s THR 56 Cb 0.06 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.65 3hhq s THR 56 CO -0.05 0.19 1.08 0.68 -0.69 0.00 0.00 174.62 175.83 3hhq s VAL 57 N 1.28 3.59 0.82 3.82 -7.23 -1.26 -1.69 120.40 119.72 3hhq s VAL 57 Ca -0.02 0.60 -0.13 0.00 -1.81 0.00 0.00 61.98 60.62 3hhq s VAL 57 Cb -0.17 -3.17 0.09 0.00 0.56 0.00 0.00 36.38 33.70 3hhq s VAL 57 CO -0.08 -0.59 1.19 -2.84 -0.31 0.00 0.00 175.10 172.46 3hhq s PRO 58 N -4.64 1.56 0.21 4.82 0.02 -1.24 -4.92 135.00 130.81 3hhq s PRO 58 Ca 0.62 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 63.02 3hhq s PRO 58 Cb -0.17 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.43 3hhq s PRO 58 CO 0.49 -2.26 1.14 0.28 -0.33 0.00 0.00 177.00 176.33 3hhq n VAL 59 N -3.46 1.22 -0.69 3.83 0.31 -1.26 -2.65 118.33 115.62 3hhq n VAL 59 Ca 0.13 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3hhq n VAL 59 Cb 0.51 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 1.81 0.63 3.12 2.92 0.00 -1.26 -5.03 105.19 107.39 3hhq n GLY 60 Ca 0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.17 0.44 2.61 -4.23 -1.09 -1.32 115.64 110.23 3hhq s THR 61 Ca 0.00 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3hhq s THR 61 Cb 0.00 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.07 3hhq s THR 61 CO 0.00 -0.78 0.04 -0.72 -0.54 0.00 0.00 174.62 172.63 3hhq s TYR 62 N -3.97 2.35 -0.37 3.99 1.13 -0.80 -4.65 117.35 115.04 3hhq s TYR 62 Ca 0.14 -0.73 -0.14 0.00 -1.41 0.00 0.00 57.07 54.93 3hhq s TYR 62 Cb 0.08 -1.77 -0.00 0.00 -1.10 0.00 0.00 41.96 39.17 3hhq s TYR 62 CO -0.05 0.33 0.26 0.20 -2.51 0.00 0.00 175.55 173.78 3hhq s GLY 63 N -3.79 1.98 -0.27 5.49 0.00 -0.00 -2.45 107.32 108.28 3hhq s GLY 63 Ca 0.29 -1.53 -0.21 0.00 0.00 0.00 0.00 44.72 43.27 3hhq s GLY 63 CO 0.15 0.83 0.65 -1.60 0.00 0.00 0.00 173.10 173.14 3hhq s ARG 64 N 1.70 4.05 -0.54 2.90 3.52 0.14 -0.72 118.95 130.00 3hhq s ARG 64 Ca 0.06 0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 55.90 3hhq s ARG 64 Cb -0.18 -3.67 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3hhq s ARG 64 CO 0.10 -0.47 1.11 0.42 -0.81 0.00 0.00 175.30 175.64 3hhq s ILE 65 N 2.58 4.17 0.24 4.11 -1.09 0.03 -0.20 121.20 131.05 3hhq s ILE 65 Ca 0.27 0.83 0.08 0.00 -2.23 0.00 0.00 60.65 59.60 3hhq s ILE 65 Cb -0.15 -4.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.05 3hhq s ILE 65 CO 0.09 -1.19 0.06 0.00 -1.23 0.00 0.00 174.94 172.68 3hhq s ALA 66 N 4.55 3.32 0.39 9.38 0.00 0.21 -4.67 121.76 134.93 3hhq s ALA 66 Ca 0.41 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 3hhq s ALA 66 Cb -0.09 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.95 3hhq s ALA 66 CO 0.26 0.30 1.04 -1.25 0.00 0.00 0.00 175.76 176.11 3hhq s PRO 67 N -3.59 4.22 0.17 0.00 0.04 -1.26 -1.14 135.00 133.43 3hhq s PRO 67 Ca 0.31 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3hhq s PRO 67 Cb -0.07 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 3hhq s PRO 67 CO 0.21 -0.09 1.06 1.03 0.04 0.00 0.00 177.00 179.25 3hhq s ARG 68 N -2.45 4.64 0.11 4.56 0.52 -1.26 -4.66 118.95 120.40 3hhq s ARG 68 Ca 0.57 1.64 -0.15 0.00 -0.52 0.00 0.00 55.73 57.28 3hhq s ARG 68 Cb -0.21 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 3hhq s ARG 68 CO 0.27 0.14 1.44 0.77 0.02 0.00 0.00 175.30 177.94 3hhq h SER 69 N 5.13 0.76 -0.95 0.23 0.02 -1.96 -2.15 113.55 114.62 3hhq h SER 69 Ca -0.44 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.10 3hhq h SER 69 Cb 1.21 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.48 3hhq h SER 69 CO 0.72 1.05 0.62 1.23 -1.14 0.00 0.00 176.83 179.31 3hhq h GLY 70 N 0.48 1.38 1.84 -3.77 0.00 -1.99 -1.36 103.07 99.65 3hhq h GLY 70 Ca 0.06 -0.47 -0.23 0.00 0.00 0.00 0.00 47.33 46.69 3hhq h GLY 70 CO 0.07 0.39 -1.06 1.41 0.00 0.00 0.00 176.54 177.35 3hhq h LEU 71 N 1.18 0.19 0.11 3.11 3.38 -1.90 0.53 115.31 121.90 3hhq h LEU 71 Ca 0.38 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hhq h LEU 71 Cb 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3hhq h LEU 71 CO -0.12 1.12 -0.43 0.00 0.09 0.00 0.00 178.44 179.10 3hhq h ALA 72 N 0.85 -0.76 0.03 1.53 0.00 -0.92 -1.59 119.26 118.41 3hhq h ALA 72 Ca -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hhq h ALA 72 Cb 1.79 0.73 0.00 0.00 0.00 0.00 0.00 17.79 20.30 3hhq h ALA 72 CO 0.16 -1.00 -0.02 0.28 0.00 0.00 0.00 179.25 178.67 3hhq h VAL 73 N -0.66 1.20 0.00 0.00 2.07 -1.20 -1.20 116.25 116.46 3hhq h VAL 73 Ca 0.02 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 3hhq h VAL 73 Cb 0.69 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3hhq h VAL 73 CO -0.26 0.19 -0.46 0.11 0.02 0.00 0.00 177.57 177.17 3hhq h LYS 74 N -0.36 0.00 0.00 1.57 1.57 -0.95 -3.38 116.57 115.01 3hhq h LYS 74 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hhq h LYS 74 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3hhq h LYS 74 CO 0.01 0.46 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 3hhq n ASN 75 N -3.26 0.22 -1.45 0.86 3.02 -0.63 -5.03 115.26 108.99 3hhq n ASN 75 Ca 0.02 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 3hhq n ASN 75 Cb 0.69 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 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 -0.01 0.12 3.73 7.41 0.00 -0.45 -4.19 105.19 111.79 3hhq n GLY 76 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.64 5.14 -0.03 -0.61 -1.09 -1.06 0.39 121.20 121.30 3hhq s ILE 77 Ca 0.00 1.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.52 3hhq s ILE 77 Cb 0.00 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3hhq s ILE 77 CO 0.00 0.33 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.32 3hhq s GLN 78 N 0.54 1.31 0.22 2.79 2.00 0.06 -3.71 119.66 122.88 3hhq s GLN 78 Ca 0.28 -0.49 -0.30 0.00 -2.00 0.00 0.00 55.36 52.85 3hhq s GLN 78 Cb -0.16 -1.21 -0.09 0.00 0.80 0.00 0.00 33.01 32.35 3hhq s GLN 78 CO 0.12 0.24 1.30 0.95 -0.50 0.00 0.00 175.29 177.40 3hhq s THR 79 N -0.08 3.13 0.61 -0.34 -4.23 -1.26 -0.00 115.64 113.46 3hhq s THR 79 Ca 0.00 0.97 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 3hhq s THR 79 Cb -0.08 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.24 3hhq s THR 79 CO 0.01 0.16 0.84 -0.83 -0.54 0.00 0.00 174.62 174.25 3hhq s GLY 80 N 0.15 1.73 0.00 3.99 0.00 0.26 -4.86 107.32 108.59 3hhq s GLY 80 Ca 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3hhq s GLY 80 CO 0.41 -1.61 0.00 0.00 0.00 0.00 0.00 173.10 171.90 3hhq n ALA 81 N -2.36 0.00 -0.14 3.20 0.00 -1.26 -4.48 120.51 115.47 3hhq n ALA 81 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3hhq n ALA 81 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.67 3.35 0.00 0.00 -1.26 -4.93 105.19 103.02 3hhq n GLY 82 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.20 5.17 -0.43 1.61 1.01 -1.26 -0.79 120.40 123.51 3hhq s VAL 83 Ca 0.00 -1.67 -0.20 0.00 0.00 0.00 0.00 61.98 60.11 3hhq s VAL 83 Cb 0.00 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.93 3hhq s VAL 83 CO 0.00 -1.07 0.62 -0.69 0.00 0.00 0.00 175.10 173.96 3hhq s VAL 84 N 1.59 4.86 0.57 2.92 1.01 0.11 -4.98 120.40 126.47 3hhq s VAL 84 Ca 0.14 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 3hhq s VAL 84 Cb -0.19 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3hhq s VAL 84 CO -0.01 -0.56 1.10 -1.81 0.00 0.00 0.00 175.10 173.82 3hhq s ASP 85 N 1.97 5.68 0.44 3.32 -0.00 -1.26 -0.82 116.67 125.99 3hhq s ASP 85 Ca 0.22 2.05 0.12 0.00 -0.00 0.00 0.00 52.55 54.93 3hhq s ASP 85 Cb -0.14 -2.56 1.00 0.00 -0.00 0.00 0.00 42.92 41.21 3hhq s ASP 85 CO 0.18 -1.24 2.03 -0.09 -0.00 0.00 0.00 175.17 176.05 3hhq h ARG 86 N 0.88 0.40 -0.02 8.23 2.43 -1.93 -1.97 114.38 122.41 3hhq h ARG 86 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3hhq h ARG 86 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3hhq h ARG 86 CO 0.57 0.27 0.00 -0.40 -1.51 0.00 0.00 179.97 178.89 3hhq n ASP 87 N -4.48 0.74 -4.68 -3.80 3.85 -1.26 -4.59 116.55 102.34 3hhq n ASP 87 Ca 0.06 -1.30 -0.42 0.00 -0.71 0.00 0.00 54.79 52.41 3hhq n ASP 87 Cb 0.22 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 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 -1.98 3.09 -0.12 2.11 5.04 -0.74 -4.88 117.35 119.86 3hhq s TYR 88 Ca 0.41 1.14 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 3hhq s TYR 88 Cb 0.20 -3.46 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 3hhq s TYR 88 CO 0.33 -1.49 0.19 0.25 -1.34 0.00 0.00 175.55 173.48 3hhq n THR 89 N 4.77 0.00 -0.83 4.34 -2.24 -1.26 -4.59 114.28 114.46 3hhq n THR 89 Ca 0.12 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3hhq n THR 89 Cb 0.46 1.01 0.24 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.94 1.53 0.27 3.38 0.00 -1.26 -4.85 107.32 105.46 3hhq s GLY 90 Ca 0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 3hhq s GLY 90 CO 0.06 0.19 1.52 1.85 0.00 0.00 0.00 173.10 176.72 3hhq s GLU 91 N -5.04 4.19 -0.86 2.90 2.12 -1.26 -4.46 118.70 116.29 3hhq s GLU 91 Ca 0.69 2.44 -0.19 0.00 0.36 0.00 0.00 54.97 58.27 3hhq s GLU 91 Cb -0.16 -3.06 0.13 0.00 0.26 0.00 0.00 34.13 31.30 3hhq s GLU 91 CO 0.59 -0.53 1.04 0.08 -0.54 0.00 0.00 175.26 175.90 3hhq s VAL 92 N -0.03 4.77 0.41 3.70 1.01 -0.46 -5.01 120.40 124.80 3hhq s VAL 92 Ca 0.61 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 3hhq s VAL 92 Cb -0.45 -4.72 -0.11 0.00 0.00 0.00 0.00 36.38 31.11 3hhq s VAL 92 CO 0.46 -1.43 0.95 -0.54 0.00 0.00 0.00 175.10 174.54 3hhq s LYS 93 N 2.61 4.28 -0.30 2.72 1.02 -1.26 -4.12 119.74 124.69 3hhq s LYS 93 Ca 0.28 1.15 -0.08 0.00 0.02 0.00 0.00 55.97 57.35 3hhq s LYS 93 Cb -0.08 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3hhq s LYS 93 CO -0.06 0.02 0.10 0.08 -0.92 0.00 0.00 175.35 174.57 3hhq s VAL 94 N -2.09 4.19 -0.19 3.17 1.01 0.26 -4.91 120.40 121.84 3hhq s VAL 94 Ca 0.60 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3hhq s VAL 94 Cb -0.11 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3hhq s VAL 94 CO 0.15 0.09 1.13 -0.69 0.00 0.00 0.00 175.10 175.78 3hhq s VAL 95 N 1.54 4.51 -0.08 2.92 1.01 -1.26 0.02 120.40 129.06 3hhq s VAL 95 Ca 0.03 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3hhq s VAL 95 Cb -0.17 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3hhq s VAL 95 CO 0.04 -0.14 -0.16 -0.76 0.00 0.00 0.00 175.10 174.08 3hhq s LEU 96 N 3.17 2.61 -0.16 3.92 1.43 -0.14 -0.58 118.68 128.93 3hhq s LEU 96 Ca 0.49 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3hhq s LEU 96 Cb -0.18 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3hhq s LEU 96 CO 0.11 0.25 0.04 -0.36 0.23 0.00 0.00 176.35 176.62 3hhq s PHE 97 N -0.19 3.22 -0.36 0.29 0.40 1.00 -1.01 117.98 121.32 3hhq s PHE 97 Ca -0.00 0.04 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 3hhq s PHE 97 Cb -0.13 -2.01 0.06 0.00 0.51 0.00 0.00 43.02 41.45 3hhq s PHE 97 CO 0.03 0.19 0.13 1.21 0.70 0.00 0.00 175.22 177.48 3hhq s ASN 98 N 0.13 5.26 0.00 1.36 3.84 -0.24 -0.76 114.94 124.53 3hhq s ASN 98 Ca 0.04 -1.40 0.19 0.00 0.21 0.00 0.00 52.86 51.90 3hhq s ASN 98 Cb -0.13 -1.85 0.64 0.00 -0.55 0.00 0.00 41.25 39.37 3hhq s ASN 98 CO 0.01 -0.39 1.48 1.41 -2.79 0.00 0.00 177.10 176.83 3hhq n HIS 99 N 4.75 0.29 -2.75 0.43 8.25 0.16 -0.58 115.22 125.77 3hhq n HIS 99 Ca -0.10 -0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 3hhq n HIS 99 Cb 0.43 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.46 5.00 0.05 0.41 1.04 -1.26 -4.77 113.70 112.72 3hhq s SER 100 Ca 0.32 -0.34 0.27 0.00 0.48 0.00 0.00 55.95 56.68 3hhq s SER 100 Cb 0.17 -0.35 0.96 0.00 0.10 0.00 0.00 66.02 66.90 3hhq s SER 100 CO 0.25 -1.35 1.77 0.00 0.98 0.00 0.00 173.24 174.89 3hhq n GLN 101 N -2.41 0.07 -4.21 4.02 1.13 -1.26 -1.40 117.38 113.33 3hhq n GLN 101 Ca 0.12 0.05 -0.34 0.00 -1.94 0.00 0.00 57.00 54.88 3hhq n GLN 101 Cb 0.60 -1.57 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 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 -3.03 3.78 0.36 -1.09 1.81 -1.26 -4.78 118.95 114.74 3hhq s ARG 102 Ca 0.12 -0.42 -0.25 0.00 -1.72 0.00 0.00 55.73 53.46 3hhq s ARG 102 Cb 0.17 -3.05 -0.13 0.00 -0.45 0.00 0.00 34.95 31.49 3hhq s ARG 102 CO 0.59 0.29 0.73 -0.25 -0.68 0.00 0.00 175.30 175.98 3hhq n ASP 103 N 3.42 -0.07 -4.21 0.23 10.43 -1.26 -4.21 116.55 120.89 3hhq n ASP 103 Ca -0.17 1.02 -0.35 0.00 2.57 0.00 0.00 54.79 57.86 3hhq n ASP 103 Cb 0.52 -1.17 -0.14 0.00 1.84 0.00 0.00 41.12 42.17 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 -1.29 3.11 -0.11 1.24 2.19 0.51 -4.90 117.98 118.73 3hhq s PHE 104 Ca 0.62 -1.57 -0.23 0.00 0.33 0.00 0.00 56.93 56.09 3hhq s PHE 104 Cb -0.66 -2.08 -0.03 0.00 -1.31 0.00 0.00 43.02 38.94 3hhq s PHE 104 CO 0.58 -0.73 0.68 0.00 1.83 0.00 0.00 175.22 177.58 3hhq s ALA 105 N 1.32 3.42 -0.09 11.12 0.00 -1.26 0.31 121.76 136.57 3hhq s ALA 105 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.00 3hhq s ALA 105 Cb -0.17 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3hhq s ALA 105 CO -0.03 -0.26 -0.21 0.42 0.00 0.00 0.00 175.76 175.67 3hhq s ILE 106 N 1.20 2.33 0.01 0.00 1.01 0.87 -4.99 121.20 121.63 3hhq s ILE 106 Ca 0.35 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 3hhq s ILE 106 Cb -0.17 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3hhq s ILE 106 CO 0.15 0.56 0.10 -0.54 0.00 0.00 0.00 174.94 175.21 3hhq s LYS 107 N 0.17 3.12 0.19 2.79 -0.14 -1.26 -1.32 119.74 123.30 3hhq s LYS 107 Ca -0.12 -0.48 -0.31 0.00 -1.36 0.00 0.00 55.97 53.70 3hhq s LYS 107 Cb -0.16 -2.89 -0.16 0.00 -1.68 0.00 0.00 37.83 32.94 3hhq s LYS 107 CO 0.07 0.64 0.93 1.17 -0.76 0.00 0.00 175.35 177.40 3hhq n LYS 108 N 1.00 0.77 -0.11 1.68 4.81 -1.26 -0.58 118.16 124.47 3hhq n LYS 108 Ca -0.12 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3hhq n LYS 108 Cb 0.52 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.98 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 2.00 3.76 3.14 0.00 0.91 -4.98 105.19 111.77 3hhq n GLY 109 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.39 7.05 -0.03 1.61 1.01 0.26 -4.74 116.67 118.43 3hhq s ASP 110 Ca 0.00 2.40 -0.30 0.00 0.71 0.00 0.00 52.55 55.36 3hhq s ASP 110 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3hhq s ASP 110 CO 0.00 -0.34 1.30 -0.13 0.21 0.00 0.00 175.17 176.20 3hhq s ARG 111 N -1.15 4.32 0.00 8.23 0.52 -1.26 -0.28 118.95 129.32 3hhq s ARG 111 Ca 0.49 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 3hhq s ARG 111 Cb -0.35 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.56 3hhq s ARG 111 CO 0.43 -0.51 0.00 1.33 0.02 0.00 0.00 175.30 176.57 3hhq n VAL 112 N 4.64 0.00 -3.85 3.52 0.24 0.79 -4.95 118.33 118.72 3hhq n VAL 112 Ca 0.12 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 3hhq n VAL 112 Cb 0.45 0.77 0.02 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.73 -1.44 0.03 2.33 0.00 -1.19 -4.72 121.76 116.04 3hhq s ALA 113 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.64 3hhq s ALA 113 Cb 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3hhq s ALA 113 CO 0.00 -1.05 -0.12 1.14 0.00 0.00 0.00 175.76 175.73 3hhq s GLN 114 N -2.33 0.85 -0.25 0.00 -2.07 -0.29 -1.58 119.66 113.98 3hhq s GLN 114 Ca 0.19 -0.68 -0.13 0.00 -1.82 0.00 0.00 55.36 52.93 3hhq s GLN 114 Cb -0.03 -0.82 -0.04 0.00 -1.09 0.00 0.00 33.01 31.03 3hhq s GLN 114 CO 0.06 0.20 0.28 -1.17 -1.32 0.00 0.00 175.29 173.35 3hhq s LEU 115 N -1.02 4.08 -0.13 2.60 2.96 0.07 0.63 118.68 127.87 3hhq s LEU 115 Ca 0.01 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3hhq s LEU 115 Cb -0.07 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3hhq s LEU 115 CO 0.01 -0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.24 3hhq s ILE 116 N 1.60 3.34 -1.02 6.68 1.01 0.72 -0.64 121.20 132.89 3hhq s ILE 116 Ca 0.12 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 3hhq s ILE 116 Cb -0.15 -2.42 0.15 0.00 0.01 0.00 0.00 42.46 40.05 3hhq s ILE 116 CO 0.08 0.52 1.22 -0.76 0.00 0.00 0.00 174.94 176.01 3hhq s LEU 117 N 0.23 5.11 -0.22 2.97 1.43 -1.26 0.23 118.68 127.17 3hhq s LEU 117 Ca -0.07 -2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 50.35 3hhq s LEU 117 Cb -0.15 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 3hhq s LEU 117 CO 0.04 -0.94 1.18 -1.61 0.23 0.00 0.00 176.35 175.26 3hhq s GLU 118 N 2.20 4.19 0.22 1.70 0.41 -1.02 -4.90 118.70 121.49 3hhq s GLU 118 Ca 0.36 1.46 -0.30 0.00 -0.41 0.00 0.00 54.97 56.08 3hhq s GLU 118 Cb -0.04 -3.74 -0.09 0.00 -1.78 0.00 0.00 34.13 28.48 3hhq s GLU 118 CO -0.06 -0.75 1.28 0.15 -0.49 0.00 0.00 175.26 175.39 3hhq s LYS 119 N 3.50 4.41 0.17 1.61 1.02 -1.26 -1.90 119.74 127.29 3hhq s LYS 119 Ca 0.51 2.03 0.01 0.00 0.02 0.00 0.00 55.97 58.54 3hhq s LYS 119 Cb -0.18 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3hhq s LYS 119 CO 0.13 -0.20 0.04 0.96 -0.92 0.00 0.00 175.35 175.36 3hhq s ILE 120 N -0.12 0.45 -0.39 2.17 -4.36 -0.43 -4.96 121.20 113.55 3hhq s ILE 120 Ca 0.55 -1.96 -0.20 0.00 -0.26 0.00 0.00 60.65 58.78 3hhq s ILE 120 Cb -0.36 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.16 3hhq s ILE 120 CO 0.40 -0.37 0.60 -0.69 0.24 0.00 0.00 174.94 175.11 3hhq s VAL 121 N -3.82 4.91 -0.72 8.37 1.01 -1.26 -4.71 120.40 124.18 3hhq s VAL 121 Ca 0.27 0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.63 3hhq s VAL 121 Cb 0.07 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3hhq s VAL 121 CO 0.05 -0.41 0.54 -0.90 0.00 0.00 0.00 175.10 174.38 3hhq n ASP 122 N 6.03 0.84 -1.22 3.32 3.85 -1.26 -4.59 116.55 123.52 3hhq n ASP 122 Ca -0.03 -0.92 -0.07 0.00 -0.71 0.00 0.00 54.79 53.06 3hhq n ASP 122 Cb 0.48 0.77 0.15 0.00 -1.35 0.00 0.00 41.12 41.17 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 -0.80 3.07 -4.81 -1.12 3.85 -1.26 -5.07 116.55 110.41 3hhq n ASP 123 Ca 0.03 -3.83 -0.33 0.00 -0.71 0.00 0.00 54.79 49.94 3hhq n ASP 123 Cb 0.19 -0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 39.40 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 -3.38 2.93 -0.24 2.12 0.00 -1.26 -5.04 121.76 116.89 3hhq s ALA 124 Ca 0.44 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 3hhq s ALA 124 Cb 0.40 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3hhq s ALA 124 CO -0.02 -0.18 0.24 -1.14 0.00 0.00 0.00 175.76 174.66 3hhq s GLN 125 N -3.31 4.07 -0.07 0.00 0.74 -1.26 -5.07 119.66 114.76 3hhq s GLN 125 Ca 0.65 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.63 3hhq s GLN 125 Cb -0.13 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 3hhq s GLN 125 CO 0.19 -0.03 1.07 0.42 -0.55 0.00 0.00 175.29 176.39 3hhq s ILE 126 N 1.33 4.61 -0.08 -2.34 1.01 -1.26 -5.03 121.20 119.43 3hhq s ILE 126 Ca 0.11 1.89 0.03 0.00 0.00 0.00 0.00 60.65 62.68 3hhq s ILE 126 Cb -0.14 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.12 3hhq s ILE 126 CO 0.07 0.02 -0.16 -0.69 0.00 0.00 0.00 174.94 174.18 3hhq s VAL 127 N 1.92 1.47 -0.24 2.92 1.01 -1.26 -5.12 120.40 121.10 3hhq s VAL 127 Ca 0.51 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3hhq s VAL 127 Cb -0.21 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3hhq s VAL 127 CO 0.21 0.43 0.31 -0.69 0.00 0.00 0.00 175.10 175.35 3hhq s VAL 128 N 0.54 5.24 0.17 2.92 1.01 -1.26 -5.07 120.40 123.95 3hhq s VAL 128 Ca -0.16 0.47 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3hhq s VAL 128 Cb -0.17 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3hhq s VAL 128 CO 0.06 0.24 -0.20 0.68 0.00 0.00 0.00 175.10 175.88 3hhq s VAL 129 N 1.55 1.93 -0.23 2.92 -7.23 -1.26 -5.03 120.40 113.06 3hhq s VAL 129 Ca 0.13 -1.91 0.18 0.00 -1.81 0.00 0.00 61.98 58.57 3hhq s VAL 129 Cb -0.15 -1.88 0.10 0.00 0.56 0.00 0.00 36.38 35.01 3hhq s VAL 129 CO 0.08 -0.25 1.39 0.44 -0.31 0.00 0.00 175.10 176.45 3hhq h ASP 130 N 3.30 0.00 -3.56 4.85 3.32 -2.10 -3.45 116.42 118.79 3hhq h ASP 130 Ca -0.43 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 3hhq h ASP 130 Cb 1.20 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 3hhq h ASP 130 CO 0.49 0.36 -0.43 -0.55 -1.72 0.00 0.00 179.24 177.39 3hhq s SER 131 N -6.26 -0.30 0.00 6.45 0.15 -1.26 -5.37 113.70 107.11 3hhq s SER 131 Ca 0.04 0.57 0.32 0.00 0.70 0.00 0.00 55.95 57.58 3hhq s SER 131 Cb 0.07 0.51 1.87 0.00 -1.71 0.00 0.00 66.02 66.76 3hhq s SER 131 CO 0.74 -0.14 2.21 0.18 1.20 0.00 0.00 173.24 177.43