#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 0.93 -0.36 3.15 1.01 -1.26 -5.07 120.40 118.80 3hhq s VAL 8 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3hhq s VAL 8 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3hhq s VAL 8 CO 0.00 0.31 0.25 -0.22 0.00 0.00 0.00 175.10 175.45 3hhq s LEU 9 N 0.87 4.67 -0.10 3.92 2.96 -1.26 -3.46 118.68 126.28 3hhq s LEU 9 Ca -0.11 -0.57 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 3hhq s LEU 9 Cb -0.15 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3hhq s LEU 9 CO 0.01 -0.30 0.64 -0.54 -1.32 0.00 0.00 176.35 174.84 3hhq s LYS 10 N 1.70 4.38 -0.10 1.98 1.02 -0.63 -4.97 119.74 123.12 3hhq s LYS 10 Ca 0.06 0.74 0.03 0.00 0.02 0.00 0.00 55.97 56.81 3hhq s LYS 10 Cb -0.18 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 3hhq s LYS 10 CO 0.10 0.03 -0.20 0.42 -0.92 0.00 0.00 175.35 174.79 3hhq s ILE 11 N 0.95 2.49 -0.24 2.17 -1.09 -1.26 -1.30 121.20 122.92 3hhq s ILE 11 Ca 0.33 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3hhq s ILE 11 Cb -0.17 -1.98 0.04 0.00 -1.58 0.00 0.00 42.46 38.76 3hhq s ILE 11 CO 0.15 0.55 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.72 3hhq s GLN 12 N 0.20 2.68 -0.51 2.79 0.74 0.25 -5.00 119.66 120.81 3hhq s GLN 12 Ca -0.12 -1.06 -0.23 0.00 0.05 0.00 0.00 55.36 54.00 3hhq s GLN 12 Cb -0.16 -2.85 0.04 0.00 1.10 0.00 0.00 33.01 31.13 3hhq s GLN 12 CO 0.06 -0.41 0.84 -0.51 -0.55 0.00 0.00 175.29 174.72 3hhq s LEU 13 N 1.24 4.29 0.00 3.68 1.43 -1.26 -1.47 118.68 126.59 3hhq s LEU 13 Ca -0.02 -0.35 0.28 0.00 -1.03 0.00 0.00 54.13 53.01 3hhq s LEU 13 Cb -0.17 -2.82 1.09 0.00 0.03 0.00 0.00 46.19 44.32 3hhq s LEU 13 CO -0.07 -1.06 1.81 0.54 0.23 0.00 0.00 176.35 177.79 3hhq n ARG 14 N 7.00 0.15 -3.57 1.70 1.74 0.44 -4.92 116.66 119.20 3hhq n ARG 14 Ca 0.01 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.99 3hhq n ARG 14 Cb 0.47 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.88 -0.25 0.59 0.55 1.04 -1.25 -5.02 113.70 106.48 3hhq s SER 15 Ca 0.17 -0.05 0.29 0.00 0.48 0.00 0.00 55.95 56.83 3hhq s SER 15 Cb 0.19 0.30 1.49 0.00 0.10 0.00 0.00 66.02 68.10 3hhq s SER 15 CO 0.56 -0.50 1.91 0.00 0.98 0.00 0.00 173.24 176.18 3hhq h ALA 16 N 2.00 2.17 0.00 5.32 0.00 -1.96 -1.38 119.26 125.41 3hhq h ALA 16 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hhq h ALA 16 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hhq h ALA 16 CO 0.28 -0.69 0.00 0.43 0.00 0.00 0.00 179.25 179.27 3hhq n SER 17 N -3.74 0.64 -4.78 0.00 7.64 -1.26 -4.87 113.62 107.26 3hhq n SER 17 Ca 0.08 0.61 -0.38 0.00 1.01 0.00 0.00 58.87 60.19 3hhq n SER 17 Cb 0.65 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 3hhq n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhq s ALA 18 N -3.19 3.31 -0.12 -0.43 0.00 -0.52 -4.47 121.76 116.34 3hhq s ALA 18 Ca 0.08 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.53 3hhq s ALA 18 Cb 0.11 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3hhq s ALA 18 CO 0.47 0.22 -0.17 0.99 0.00 0.00 0.00 175.76 177.27 3hhq s THR 19 N -1.41 2.67 0.11 0.00 2.01 -1.26 -4.98 115.64 112.78 3hhq s THR 19 Ca 0.44 -0.80 -0.34 0.00 0.31 0.00 0.00 61.69 61.31 3hhq s THR 19 Cb -0.21 -2.09 -0.14 0.00 0.01 0.00 0.00 72.50 70.07 3hhq s THR 19 CO 0.26 0.54 1.63 0.52 -0.69 0.00 0.00 174.62 176.87 3hhq n VAL 20 N 3.57 0.11 -1.74 3.82 0.31 -1.26 -4.72 118.33 118.42 3hhq n VAL 20 Ca -0.19 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 3hhq n VAL 20 Cb 0.53 -1.57 0.04 0.00 -0.91 0.00 0.00 33.84 31.93 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 4.01 1.74 -4.42 5.55 -0.02 -1.26 -5.00 135.00 135.60 3hhq n PRO 21 Ca 0.18 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 62.10 3hhq n PRO 21 Cb 0.28 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.06 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 -1.28 0.90 0.00 3.45 -4.23 -1.21 -4.88 115.64 108.40 3hhq s THR 22 Ca 0.70 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3hhq s THR 22 Cb -0.42 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3hhq s THR 22 CO 0.50 0.15 0.00 0.29 -0.54 0.00 0.00 174.62 175.02 3hhq n LYS 23 N 2.51 3.45 -0.32 3.99 5.02 -1.26 0.83 118.16 132.38 3hhq n LYS 23 Ca -0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 3hhq n LYS 23 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.58 3hhq n LYS 23 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hhq n SER 25 N 0.00 -1.81 0.23 4.39 3.41 -1.26 -4.97 113.62 113.61 3hhq n SER 25 Ca 0.00 0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 3hhq n SER 25 Cb 0.00 -0.24 0.66 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.27 2.02 0.00 7.33 0.00 -2.04 -2.84 119.26 123.45 3hhq h ALA 26 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hhq h ALA 26 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hhq h ALA 26 CO 0.08 -0.07 -1.02 0.25 0.00 0.00 0.00 179.25 178.49 3hhq n THR 27 N -4.47 0.03 -1.64 0.00 -2.24 -1.26 -4.95 114.28 99.74 3hhq n THR 27 Ca -0.02 -0.08 -0.46 0.00 -2.27 0.00 0.00 64.05 61.22 3hhq n THR 27 Cb 0.15 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq n ALA 28 N -1.62 0.55 0.10 6.98 0.00 -1.07 -4.90 120.51 120.54 3hhq n ALA 28 Ca 0.03 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.91 3hhq n ALA 28 Cb 0.37 -2.19 0.36 0.00 0.00 0.00 0.00 19.45 17.98 3hhq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhq h ALA 29 N 3.73 1.44 -2.82 0.00 0.00 -1.92 -3.48 119.26 116.21 3hhq h ALA 29 Ca -0.44 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 3hhq h ALA 29 Cb 1.30 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3hhq h ALA 29 CO 0.72 0.39 -0.27 0.20 0.00 0.00 0.00 179.25 180.29 3hhq s GLY 30 N -4.05 1.20 -0.14 0.00 0.00 -1.26 -4.54 107.32 98.53 3hhq s GLY 30 Ca -0.06 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 3hhq s GLY 30 CO 0.74 -0.98 0.08 -0.19 0.00 0.00 0.00 173.10 172.75 3hhq s TYR 31 N -3.64 3.37 0.24 1.90 1.51 0.07 -4.61 117.35 116.20 3hhq s TYR 31 Ca 0.30 0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 56.34 3hhq s TYR 31 Cb 0.01 -1.98 -0.12 0.00 -0.11 0.00 0.00 41.96 39.77 3hhq s TYR 31 CO 0.15 0.44 1.68 -0.51 -1.11 0.00 0.00 175.55 176.20 3hhq s ASP 32 N -0.39 6.37 -0.17 2.29 1.01 0.24 -0.25 116.67 125.77 3hhq s ASP 32 Ca 0.10 2.91 -0.05 0.00 0.71 0.00 0.00 52.55 56.22 3hhq s ASP 32 Cb -0.12 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3hhq s ASP 32 CO 0.02 -0.96 -0.00 -0.63 0.21 0.00 0.00 175.17 173.80 3hhq s ILE 33 N 0.74 4.16 -0.14 0.77 1.09 -0.53 -3.30 121.20 123.98 3hhq s ILE 33 Ca 0.71 -0.26 -0.03 0.00 -1.10 0.00 0.00 60.65 59.96 3hhq s ILE 33 Cb -0.49 -2.85 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 3hhq s ILE 33 CO 0.38 0.47 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.36 3hhq s TYR 34 N 0.46 3.06 0.44 3.97 2.02 -1.26 -0.47 117.35 125.57 3hhq s TYR 34 Ca -0.01 -0.16 -0.26 0.00 -0.37 0.00 0.00 57.07 56.27 3hhq s TYR 34 Cb -0.14 -1.92 -0.09 0.00 -0.40 0.00 0.00 41.96 39.42 3hhq s TYR 34 CO 0.02 0.10 1.45 0.00 -1.57 0.00 0.00 175.55 175.55 3hhq s ALA 35 N 0.06 3.31 -1.46 3.71 0.00 0.83 -4.61 121.76 123.60 3hhq s ALA 35 Ca 0.01 1.50 0.14 0.00 0.00 0.00 0.00 51.96 53.61 3hhq s ALA 35 Cb -0.13 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3hhq s ALA 35 CO 0.02 -1.19 0.84 -1.13 0.00 0.00 0.00 175.76 174.30 3hhq n SER 36 N -0.09 1.75 -3.87 0.00 3.41 -0.31 -0.46 113.62 114.05 3hhq n SER 36 Ca 0.04 -1.37 -0.11 0.00 -0.26 0.00 0.00 58.87 57.17 3hhq n SER 36 Cb 0.41 0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.49 0.59 0.52 4.33 -0.21 -1.26 -4.82 119.66 117.31 3hhq s GLN 37 Ca 0.13 -0.55 -0.21 0.00 0.02 0.00 0.00 55.36 54.75 3hhq s GLN 37 Cb 0.11 0.24 -0.06 0.00 1.00 0.00 0.00 33.01 34.30 3hhq s GLN 37 CO 0.28 -0.15 1.16 -0.51 -2.12 0.00 0.00 175.29 173.94 3hhq s ASP 38 N -1.80 5.81 0.00 5.90 1.01 -1.26 -3.89 116.67 122.44 3hhq s ASP 38 Ca -0.09 2.27 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 3hhq s ASP 38 Cb -0.04 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.38 3hhq s ASP 38 CO -0.02 -1.16 0.69 -0.51 0.21 0.00 0.00 175.17 174.38 3hhq s ILE 39 N -1.65 0.00 -0.12 0.77 2.07 -0.46 -4.95 121.20 116.86 3hhq s ILE 39 Ca 0.70 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.94 3hhq s ILE 39 Cb -0.27 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.31 3hhq s ILE 39 CO 0.31 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.31 3hhq s THR 40 N -1.99 3.02 -0.42 4.00 2.01 -1.26 -0.30 115.64 120.69 3hhq s THR 40 Ca -0.06 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 3hhq s THR 40 Cb -0.00 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.27 3hhq s THR 40 CO 0.02 0.53 0.68 -0.63 -0.69 0.00 0.00 174.62 174.54 3hhq s ILE 41 N 0.23 4.79 0.42 1.82 -1.09 0.25 -4.87 121.20 122.77 3hhq s ILE 41 Ca -0.09 0.34 -0.26 0.00 -2.23 0.00 0.00 60.65 58.41 3hhq s ILE 41 Cb -0.15 -4.21 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 3hhq s ILE 41 CO 0.05 -0.56 1.40 -2.84 -1.23 0.00 0.00 174.94 171.77 3hhq s PRO 42 N 2.93 3.85 0.22 2.79 0.02 -1.26 -0.10 135.00 143.45 3hhq s PRO 42 Ca 0.25 2.37 -0.31 0.00 0.02 0.00 0.00 61.00 63.33 3hhq s PRO 42 Cb -0.14 -2.75 -0.15 0.00 0.02 0.00 0.00 34.50 31.49 3hhq s PRO 42 CO 0.19 -0.66 1.22 0.00 -0.33 0.00 0.00 177.00 177.42 3hhq n ALA 43 N 0.04 0.00 -1.26 -1.55 0.00 -1.26 -1.62 120.51 114.86 3hhq n ALA 43 Ca 0.04 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 3hhq n ALA 43 Cb 0.42 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 1.64 -1.34 0.00 0.00 2.81 -0.63 -4.88 117.12 114.72 3hhq n MET 44 Ca 0.13 0.76 0.00 0.00 -1.81 0.00 0.00 57.70 56.78 3hhq n MET 44 Cb 0.28 -4.95 0.00 0.00 -0.71 0.00 0.00 33.22 27.84 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 -0.44 5.45 3.08 3.03 0.00 -0.64 -4.88 105.19 110.77 3hhq n GLY 45 Ca -0.09 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 1.60 0.57 0.31 1.61 0.74 -1.26 0.16 119.66 123.38 3hhq s GLN 46 Ca 0.00 -0.86 -0.13 0.00 0.05 0.00 0.00 55.36 54.42 3hhq s GLN 46 Cb 0.00 -0.23 0.02 0.00 1.10 0.00 0.00 33.01 33.89 3hhq s GLN 46 CO 0.00 0.03 0.61 0.20 -0.55 0.00 0.00 175.29 175.58 3hhq s GLY 47 N -1.87 0.54 -0.03 2.59 0.00 -0.36 -4.47 107.32 103.72 3hhq s GLY 47 Ca -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 3hhq s GLY 47 CO -0.01 -0.50 0.02 -0.29 0.00 0.00 0.00 173.10 172.32 3hhq s MET 48 N -3.39 0.20 -0.17 2.90 1.75 -1.26 -0.65 119.30 118.68 3hhq s MET 48 Ca 0.20 0.15 -0.07 0.00 -1.25 0.00 0.00 55.69 54.73 3hhq s MET 48 Cb -0.03 -0.49 -0.04 0.00 2.84 0.00 0.00 34.83 37.12 3hhq s MET 48 CO 0.11 -0.19 0.05 0.08 -0.65 0.00 0.00 175.02 174.43 3hhq s VAL 49 N 1.32 4.73 0.33 10.11 1.01 -0.01 -4.91 120.40 132.99 3hhq s VAL 49 Ca -0.06 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 3hhq s VAL 49 Cb -0.13 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 3hhq s VAL 49 CO -0.03 0.49 1.01 -0.44 0.00 0.00 0.00 175.10 176.13 3hhq s SER 50 N 0.16 7.16 0.00 3.32 0.01 -1.26 -0.32 113.70 122.77 3hhq s SER 50 Ca 0.04 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.31 3hhq s SER 50 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3hhq s SER 50 CO 0.01 -0.20 0.00 0.35 0.41 0.00 0.00 173.24 173.81 3hhq n THR 51 N 0.57 0.00 -2.32 1.44 -2.24 -1.25 -1.16 114.28 109.32 3hhq n THR 51 Ca 0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 3hhq n THR 51 Cb 0.48 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.62 -5.84 -4.26 3.42 10.43 -1.26 -4.35 116.55 113.07 3hhq n ASP 52 Ca 0.00 0.03 -0.21 0.00 2.57 0.00 0.00 54.79 57.17 3hhq n ASP 52 Cb 0.22 -4.87 -0.12 0.00 1.84 0.00 0.00 41.12 38.19 3hhq n ASP 52 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3hhq s ILE 53 N -3.01 1.53 0.09 0.53 -4.36 -1.26 -0.42 121.20 114.30 3hhq s ILE 53 Ca 0.00 -1.60 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 3hhq s ILE 53 Cb 0.00 -1.50 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 3hhq s ILE 53 CO 0.00 -0.21 -0.15 -0.44 0.24 0.00 0.00 174.94 174.37 3hhq s SER 54 N -2.12 1.91 0.01 4.36 0.01 -0.54 0.41 113.70 117.73 3hhq s SER 54 Ca 0.07 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.59 3hhq s SER 54 Cb -0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3hhq s SER 54 CO 0.04 -0.07 0.09 0.72 0.41 0.00 0.00 173.24 174.43 3hhq s PHE 55 N -1.50 0.13 -0.30 2.43 -0.71 -1.26 0.85 117.98 117.62 3hhq s PHE 55 Ca 0.02 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 55.54 3hhq s PHE 55 Cb -0.09 -0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 3hhq s PHE 55 CO 0.03 -0.28 0.08 0.99 -1.34 0.00 0.00 175.22 174.70 3hhq s THR 56 N -1.67 3.90 0.63 -4.49 2.01 -0.42 -4.74 115.64 110.87 3hhq s THR 56 Ca -0.13 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 3hhq s THR 56 Cb -0.07 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 3hhq s THR 56 CO -0.00 0.03 1.11 0.68 -0.69 0.00 0.00 174.62 175.75 3hhq s VAL 57 N 1.48 3.29 1.09 3.82 -7.23 -1.26 -1.60 120.40 119.98 3hhq s VAL 57 Ca 0.02 0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 60.69 3hhq s VAL 57 Cb -0.18 -3.16 0.24 0.00 0.56 0.00 0.00 36.38 33.85 3hhq s VAL 57 CO 0.02 -0.34 1.06 -2.16 -0.31 0.00 0.00 175.10 173.37 3hhq s PRO 58 N -3.97 -0.32 0.39 4.82 0.04 -1.23 -4.90 135.00 129.83 3hhq s PRO 58 Ca 0.67 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 3hhq s PRO 58 Cb -0.20 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 3hhq s PRO 58 CO 0.39 -3.30 1.22 0.08 0.04 0.00 0.00 177.00 175.44 3hhq s VAL 59 N -2.67 2.94 0.00 -0.36 1.01 -1.26 -2.49 120.40 117.58 3hhq s VAL 59 Ca 0.67 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3hhq s VAL 59 Cb -0.22 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3hhq s VAL 59 CO 0.62 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3hhq n GLY 60 N 0.69 1.05 3.44 4.51 0.00 -1.26 -5.04 105.19 108.57 3hhq n GLY 60 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.80 1.14 0.26 2.61 -4.23 -1.04 -1.20 115.64 110.39 3hhq s THR 61 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3hhq s THR 61 Cb 0.00 -2.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 3hhq s THR 61 CO 0.00 -0.01 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.31 3hhq s TYR 62 N -3.33 1.79 -0.29 3.99 1.13 -0.98 -4.50 117.35 115.15 3hhq s TYR 62 Ca 0.36 -0.78 -0.15 0.00 -1.41 0.00 0.00 57.07 55.09 3hhq s TYR 62 Cb 0.09 -1.03 -0.03 0.00 -1.10 0.00 0.00 41.96 39.89 3hhq s TYR 62 CO 0.15 0.16 0.38 0.20 -2.51 0.00 0.00 175.55 173.93 3hhq s GLY 63 N -3.39 1.88 -0.22 5.49 0.00 0.12 -2.02 107.32 109.19 3hhq s GLY 63 Ca 0.29 -0.92 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 3hhq s GLY 63 CO 0.10 1.00 0.32 -1.60 0.00 0.00 0.00 173.10 172.93 3hhq s ARG 64 N 2.08 4.14 -0.52 2.90 3.52 0.11 -1.38 118.95 129.80 3hhq s ARG 64 Ca 0.14 0.04 -0.23 0.00 -0.13 0.00 0.00 55.73 55.56 3hhq s ARG 64 Cb -0.16 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 3hhq s ARG 64 CO 0.11 -0.01 0.85 0.42 -0.81 0.00 0.00 175.30 175.85 3hhq s ILE 65 N 1.24 4.54 0.24 4.11 -1.09 0.23 -0.88 121.20 129.60 3hhq s ILE 65 Ca 0.15 0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.85 3hhq s ILE 65 Cb -0.14 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.25 3hhq s ILE 65 CO 0.07 -0.96 -0.06 0.00 -1.23 0.00 0.00 174.94 172.76 3hhq s ALA 66 N 3.54 3.03 0.44 9.38 0.00 0.25 -4.62 121.76 133.79 3hhq s ALA 66 Ca 0.27 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 3hhq s ALA 66 Cb -0.14 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 3hhq s ALA 66 CO 0.19 0.32 1.30 -2.14 0.00 0.00 0.00 175.76 175.43 3hhq s PRO 67 N -3.41 3.79 0.00 0.00 0.02 -1.26 -0.70 135.00 133.44 3hhq s PRO 67 Ca 0.29 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 3hhq s PRO 67 Cb -0.07 -2.61 -0.05 0.00 0.02 0.00 0.00 34.50 31.79 3hhq s PRO 67 CO 0.18 -0.63 1.23 1.03 -0.33 0.00 0.00 177.00 178.48 3hhq s ARG 68 N -2.43 4.37 0.16 5.54 0.52 -1.26 -4.65 118.95 121.20 3hhq s ARG 68 Ca 0.60 1.76 -0.15 0.00 -0.52 0.00 0.00 55.73 57.43 3hhq s ARG 68 Cb -0.37 -3.47 0.09 0.00 0.52 0.00 0.00 34.95 31.71 3hhq s ARG 68 CO 0.47 -0.39 1.76 0.77 0.02 0.00 0.00 175.30 177.92 3hhq h SER 69 N 7.25 0.19 -0.53 0.23 0.02 -1.96 -2.69 113.55 116.07 3hhq h SER 69 Ca -0.38 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 60.72 3hhq h SER 69 Cb 1.19 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 3hhq h SER 69 CO 0.86 0.15 -0.22 1.23 -1.14 0.00 0.00 176.83 177.70 3hhq h GLY 70 N 0.33 0.16 2.00 -3.77 0.00 -1.98 0.15 103.07 99.96 3hhq h GLY 70 Ca 0.19 0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 3hhq h GLY 70 CO -0.17 -0.22 -0.36 1.41 0.00 0.00 0.00 176.54 177.20 3hhq h LEU 71 N -0.10 0.00 -0.06 3.11 3.38 -1.86 0.10 115.31 119.88 3hhq h LEU 71 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 3hhq h LEU 71 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hhq h LEU 71 CO -0.60 0.36 -0.50 0.00 0.09 0.00 0.00 178.44 177.79 3hhq h ALA 72 N 1.64 0.14 0.19 1.53 0.00 -1.06 -1.26 119.26 120.44 3hhq h ALA 72 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hhq h ALA 72 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hhq h ALA 72 CO 0.05 0.33 -0.09 0.28 0.00 0.00 0.00 179.25 179.82 3hhq h VAL 73 N -0.02 0.90 0.02 0.00 2.07 -0.90 -2.62 116.25 115.70 3hhq h VAL 73 Ca -0.05 -0.77 -0.25 0.00 0.82 0.00 0.00 66.70 66.45 3hhq h VAL 73 Cb 1.17 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3hhq h VAL 73 CO 0.10 0.17 -1.31 0.11 0.02 0.00 0.00 177.57 176.66 3hhq h LYS 74 N -0.66 0.03 -0.00 1.57 1.57 -0.94 -3.40 116.57 114.74 3hhq h LYS 74 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3hhq h LYS 74 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hhq h LYS 74 CO 0.04 0.84 -0.09 0.09 -0.57 0.00 0.00 179.45 179.76 3hhq n ASN 75 N -3.26 0.12 -0.56 0.86 3.02 -0.54 -5.03 115.26 109.88 3hhq n ASN 75 Ca -0.08 -0.56 -0.06 0.00 -0.03 0.00 0.00 54.58 53.85 3hhq n ASN 75 Cb 0.99 0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 41.12 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 1.02 0.56 3.66 7.41 0.00 -0.82 -4.25 105.19 112.77 3hhq n GLY 76 Ca 0.00 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.26 4.88 -0.04 -0.61 -1.09 -0.92 0.50 121.20 121.67 3hhq s ILE 77 Ca 0.00 1.56 0.04 0.00 -2.23 0.00 0.00 60.65 60.03 3hhq s ILE 77 Cb 0.00 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 3hhq s ILE 77 CO 0.00 -0.01 -0.15 -1.58 -1.23 0.00 0.00 174.94 171.97 3hhq s GLN 78 N 2.40 2.43 0.34 2.79 2.00 -0.23 -3.64 119.66 125.75 3hhq s GLN 78 Ca 0.36 -0.74 -0.28 0.00 -2.00 0.00 0.00 55.36 52.70 3hhq s GLN 78 Cb -0.16 -2.34 -0.09 0.00 0.80 0.00 0.00 33.01 31.22 3hhq s GLN 78 CO 0.10 0.61 1.19 0.95 -0.50 0.00 0.00 175.29 177.64 3hhq s THR 79 N -0.75 3.13 0.51 -0.34 -4.23 -1.26 -0.41 115.64 112.28 3hhq s THR 79 Ca 0.12 1.06 0.05 0.00 -1.18 0.00 0.00 61.69 61.74 3hhq s THR 79 Cb -0.11 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.09 3hhq s THR 79 CO 0.01 0.20 0.26 -0.83 -0.54 0.00 0.00 174.62 173.71 3hhq s GLY 80 N -0.86 2.53 0.00 3.99 0.00 -0.29 -4.85 107.32 107.83 3hhq s GLY 80 Ca 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3hhq s GLY 80 CO 0.44 -1.99 0.00 0.00 0.00 0.00 0.00 173.10 171.54 3hhq n ALA 81 N -1.52 0.00 0.00 3.20 0.00 -1.26 -4.42 120.51 116.51 3hhq n ALA 81 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hhq n ALA 81 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 3.01 3.46 0.00 0.00 -1.26 -4.94 105.19 105.45 3hhq n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.78 4.48 -0.29 1.61 1.01 -1.26 -0.60 120.40 122.56 3hhq s VAL 83 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 3hhq s VAL 83 Cb 0.00 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 3hhq s VAL 83 CO 0.00 -1.51 0.46 -0.69 0.00 0.00 0.00 175.10 173.36 3hhq s VAL 84 N 3.52 5.09 0.47 2.92 1.01 -0.48 -4.98 120.40 127.94 3hhq s VAL 84 Ca 0.28 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 3hhq s VAL 84 Cb -0.11 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3hhq s VAL 84 CO 0.00 0.02 0.99 -1.81 0.00 0.00 0.00 175.10 174.30 3hhq s ASP 85 N 1.64 6.67 0.60 3.32 -0.00 -1.26 -0.70 116.67 126.94 3hhq s ASP 85 Ca 0.18 1.75 0.31 0.00 -0.00 0.00 0.00 52.55 54.78 3hhq s ASP 85 Cb -0.16 -2.54 1.75 0.00 -0.00 0.00 0.00 42.92 41.98 3hhq s ASP 85 CO 0.11 -0.55 2.13 -0.09 -0.00 0.00 0.00 175.17 176.76 3hhq h ARG 86 N 1.59 0.00 -0.25 8.23 2.43 -1.91 -1.59 114.38 122.89 3hhq h ARG 86 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hhq h ARG 86 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3hhq h ARG 86 CO 0.60 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.66 3hhq n ASP 87 N -3.66 2.45 -4.66 -3.80 3.85 -1.26 -4.46 116.55 105.00 3hhq n ASP 87 Ca 0.00 -1.84 -0.41 0.00 -0.71 0.00 0.00 54.79 51.83 3hhq n ASP 87 Cb 0.28 -0.16 -0.04 0.00 -1.35 0.00 0.00 41.12 39.85 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 -1.69 3.39 -0.34 2.11 5.04 -0.60 -4.88 117.35 120.39 3hhq s TYR 88 Ca 0.35 1.20 0.03 0.00 -2.44 0.00 0.00 57.07 56.21 3hhq s TYR 88 Cb 0.20 -3.01 0.05 0.00 0.35 0.00 0.00 41.96 39.55 3hhq s TYR 88 CO 0.29 -0.27 0.80 0.25 -1.34 0.00 0.00 175.55 175.28 3hhq n THR 89 N 4.85 0.43 -1.59 4.34 -2.24 -1.26 -4.63 114.28 114.18 3hhq n THR 89 Ca 0.04 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 3hhq n THR 89 Cb 0.49 0.82 0.18 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.58 1.66 0.29 3.38 0.00 -1.26 -4.90 107.32 105.92 3hhq s GLY 90 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 3hhq s GLY 90 CO 0.04 -0.20 1.61 1.85 0.00 0.00 0.00 173.10 176.41 3hhq s GLU 91 N -5.59 4.11 -0.39 2.90 2.12 -1.26 -4.56 118.70 116.03 3hhq s GLU 91 Ca 0.70 2.60 -0.27 0.00 0.36 0.00 0.00 54.97 58.36 3hhq s GLU 91 Cb -0.09 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.31 3hhq s GLU 91 CO 0.54 -0.66 1.02 0.08 -0.54 0.00 0.00 175.26 175.70 3hhq s VAL 92 N 0.05 4.45 0.10 3.70 1.01 0.16 -4.99 120.40 124.89 3hhq s VAL 92 Ca 0.64 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.97 3hhq s VAL 92 Cb -0.48 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 3hhq s VAL 92 CO 0.48 -0.68 0.01 -0.54 0.00 0.00 0.00 175.10 174.37 3hhq s LYS 93 N 3.82 2.57 -0.37 2.72 -0.14 -1.26 -3.79 119.74 123.28 3hhq s LYS 93 Ca 0.43 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 54.06 3hhq s LYS 93 Cb -0.10 -2.53 0.03 0.00 -1.68 0.00 0.00 37.83 33.54 3hhq s LYS 93 CO 0.22 0.53 0.20 0.08 -0.76 0.00 0.00 175.35 175.62 3hhq s VAL 94 N -1.39 4.55 -0.03 3.17 1.01 0.56 -4.91 120.40 123.36 3hhq s VAL 94 Ca 0.26 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3hhq s VAL 94 Cb -0.11 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3hhq s VAL 94 CO 0.19 -0.22 1.56 -0.69 0.00 0.00 0.00 175.10 175.93 3hhq s VAL 95 N 1.55 3.57 -0.04 2.92 1.01 -1.26 -0.83 120.40 127.32 3hhq s VAL 95 Ca 0.02 0.83 0.06 0.00 0.00 0.00 0.00 61.98 62.89 3hhq s VAL 95 Cb -0.19 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3hhq s VAL 95 CO 0.06 -0.04 -0.22 -0.76 0.00 0.00 0.00 175.10 174.14 3hhq s LEU 96 N 3.30 2.28 -0.14 3.92 1.43 0.18 -1.14 118.68 128.52 3hhq s LEU 96 Ca 0.70 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3hhq s LEU 96 Cb -0.33 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3hhq s LEU 96 CO 0.28 0.31 -0.04 -0.36 0.23 0.00 0.00 176.35 176.77 3hhq s PHE 97 N -0.55 3.01 -0.37 0.29 2.99 0.45 -1.22 117.98 122.58 3hhq s PHE 97 Ca 0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 56.93 56.67 3hhq s PHE 97 Cb -0.11 -1.91 0.03 0.00 0.00 0.00 0.00 43.02 41.03 3hhq s PHE 97 CO 0.00 0.04 0.20 1.21 -0.00 0.00 0.00 175.22 176.68 3hhq s ASN 98 N 0.11 5.72 0.00 1.36 3.84 0.12 -1.07 114.94 125.03 3hhq s ASN 98 Ca -0.01 -0.98 0.28 0.00 0.21 0.00 0.00 52.86 52.36 3hhq s ASN 98 Cb -0.14 -2.02 1.12 0.00 -0.55 0.00 0.00 41.25 39.66 3hhq s ASN 98 CO 0.03 -0.38 1.79 1.41 -2.79 0.00 0.00 177.10 177.15 3hhq n HIS 99 N 4.99 0.00 -2.40 0.43 8.25 0.18 -1.60 115.22 125.08 3hhq n HIS 99 Ca -0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3hhq n HIS 99 Cb 0.46 -0.10 0.12 0.00 1.12 0.00 0.00 29.99 31.59 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 -2.32 4.12 0.00 0.41 1.04 -1.26 -4.75 113.70 110.95 3hhq s SER 100 Ca 0.32 -0.13 0.19 0.00 0.48 0.00 0.00 55.95 56.81 3hhq s SER 100 Cb 0.20 -0.22 0.52 0.00 0.10 0.00 0.00 66.02 66.63 3hhq s SER 100 CO 0.44 -2.02 1.43 0.00 0.98 0.00 0.00 173.24 174.07 3hhq n GLN 101 N -3.05 2.21 -5.02 4.02 1.13 -1.26 -1.74 117.38 113.67 3hhq n GLN 101 Ca 0.14 -1.86 -0.32 0.00 -1.94 0.00 0.00 57.00 53.01 3hhq n GLN 101 Cb 0.60 -1.44 -0.16 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.42 3.11 0.50 -1.09 0.52 -1.26 -4.84 118.95 114.46 3hhq s ARG 102 Ca 0.36 -0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 54.51 3hhq s ARG 102 Cb 0.19 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 3hhq s ARG 102 CO 0.27 0.14 1.21 -0.25 0.02 0.00 0.00 175.30 176.68 3hhq n ASP 103 N 3.65 2.09 -4.28 0.23 10.43 -1.26 -4.14 116.55 123.27 3hhq n ASP 103 Ca -0.19 1.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.80 3hhq n ASP 103 Cb 0.53 -1.49 -0.13 0.00 1.84 0.00 0.00 41.12 41.87 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 -1.30 3.18 -0.10 1.24 2.19 0.86 -4.89 117.98 119.16 3hhq s PHE 104 Ca 0.68 -1.30 -0.25 0.00 0.33 0.00 0.00 56.93 56.39 3hhq s PHE 104 Cb -0.47 -2.21 -0.03 0.00 -1.31 0.00 0.00 43.02 39.00 3hhq s PHE 104 CO 0.53 -0.67 0.77 0.00 1.83 0.00 0.00 175.22 177.68 3hhq s ALA 105 N 1.42 3.38 -0.08 11.12 0.00 -1.26 -0.58 121.76 135.76 3hhq s ALA 105 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.12 3hhq s ALA 105 Cb -0.18 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3hhq s ALA 105 CO 0.01 -0.32 -0.19 0.42 0.00 0.00 0.00 175.76 175.68 3hhq s ILE 106 N 1.33 2.60 -0.03 0.00 1.01 0.58 -5.00 121.20 121.69 3hhq s ILE 106 Ca 0.39 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3hhq s ILE 106 Cb -0.18 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3hhq s ILE 106 CO 0.17 0.56 -0.01 -0.54 0.00 0.00 0.00 174.94 175.12 3hhq s LYS 107 N -0.11 2.80 0.15 2.79 -0.14 -1.26 -1.36 119.74 122.61 3hhq s LYS 107 Ca -0.03 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 3hhq s LYS 107 Cb -0.14 -2.67 -0.17 0.00 -1.68 0.00 0.00 37.83 33.17 3hhq s LYS 107 CO 0.04 0.64 0.62 1.17 -0.76 0.00 0.00 175.35 177.06 3hhq n LYS 108 N 1.66 0.00 0.00 1.68 0.00 -1.25 -0.17 118.16 120.07 3hhq n LYS 108 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.15 3hhq n LYS 108 Cb 0.53 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.48 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hhq n GLY 109 N 1.82 2.59 3.76 3.14 0.00 0.40 -4.96 105.19 111.93 3hhq n GLY 109 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.31 7.33 -0.04 1.61 1.11 0.76 -4.74 116.67 120.38 3hhq s ASP 110 Ca 0.00 2.12 -0.30 0.00 0.18 0.00 0.00 52.55 54.55 3hhq s ASP 110 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 3hhq s ASP 110 CO 0.00 -0.09 1.24 -0.13 1.18 0.00 0.00 175.17 177.37 3hhq s ARG 111 N -1.53 4.34 0.00 8.23 3.00 -1.26 -0.12 118.95 131.61 3hhq s ARG 111 Ca 0.45 1.73 0.00 0.00 0.00 0.00 0.00 55.73 57.91 3hhq s ARG 111 Cb -0.28 -3.56 0.00 0.00 0.00 0.00 0.00 34.95 31.11 3hhq s ARG 111 CO 0.36 -0.47 0.00 1.33 0.00 0.00 0.00 175.30 176.51 3hhq n VAL 112 N 4.63 0.00 -3.83 3.52 0.24 0.38 -4.95 118.33 118.32 3hhq n VAL 112 Ca 0.11 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 62.08 3hhq n VAL 112 Cb 0.46 0.81 0.01 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.25 -1.61 0.06 2.33 0.00 -1.20 -4.60 121.76 115.49 3hhq s ALA 113 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3hhq s ALA 113 Cb 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 3hhq s ALA 113 CO 0.00 -1.06 -0.15 1.14 0.00 0.00 0.00 175.76 175.69 3hhq s GLN 114 N -2.55 0.92 -0.25 0.00 -2.07 0.12 -1.46 119.66 114.37 3hhq s GLN 114 Ca 0.18 -0.89 -0.09 0.00 -1.82 0.00 0.00 55.36 52.74 3hhq s GLN 114 Cb -0.02 -0.95 -0.04 0.00 -1.09 0.00 0.00 33.01 30.91 3hhq s GLN 114 CO 0.04 0.22 0.13 -1.17 -1.32 0.00 0.00 175.29 173.20 3hhq s LEU 115 N -1.47 3.83 -0.11 2.60 2.96 0.65 0.87 118.68 128.02 3hhq s LEU 115 Ca 0.01 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3hhq s LEU 115 Cb -0.09 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3hhq s LEU 115 CO 0.02 0.00 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 3hhq s ILE 116 N 1.43 3.08 -1.14 6.68 1.01 -0.06 -0.75 121.20 131.45 3hhq s ILE 116 Ca 0.06 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 3hhq s ILE 116 Cb -0.15 -2.27 0.15 0.00 0.01 0.00 0.00 42.46 40.20 3hhq s ILE 116 CO 0.06 0.54 1.39 -0.76 0.00 0.00 0.00 174.94 176.17 3hhq s LEU 117 N 0.06 4.87 -0.10 2.97 1.43 -1.26 0.09 118.68 126.73 3hhq s LEU 117 Ca -0.05 -2.64 -0.29 0.00 -1.03 0.00 0.00 54.13 50.12 3hhq s LEU 117 Cb -0.14 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 3hhq s LEU 117 CO 0.04 -0.90 1.54 -1.61 0.23 0.00 0.00 176.35 175.66 3hhq s GLU 118 N 2.26 4.17 0.35 1.70 0.41 -0.86 -4.90 118.70 121.82 3hhq s GLU 118 Ca 0.41 2.00 -0.28 0.00 -0.41 0.00 0.00 54.97 56.70 3hhq s GLU 118 Cb -0.03 -3.93 -0.10 0.00 -1.78 0.00 0.00 34.13 28.30 3hhq s GLU 118 CO -0.02 -0.84 1.25 0.15 -0.49 0.00 0.00 175.26 175.31 3hhq s LYS 119 N 3.93 4.29 0.11 1.61 1.02 -1.26 -2.33 119.74 127.11 3hhq s LYS 119 Ca 0.68 2.09 -0.05 0.00 0.02 0.00 0.00 55.97 58.70 3hhq s LYS 119 Cb -0.29 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3hhq s LYS 119 CO 0.25 -0.20 0.14 0.96 -0.92 0.00 0.00 175.35 175.58 3hhq s ILE 120 N -1.21 0.13 -0.35 2.17 -4.36 -0.34 -4.96 121.20 112.29 3hhq s ILE 120 Ca 0.51 -1.52 -0.20 0.00 -0.26 0.00 0.00 60.65 59.17 3hhq s ILE 120 Cb -0.37 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3hhq s ILE 120 CO 0.48 -0.60 0.64 -0.69 0.24 0.00 0.00 174.94 175.01 3hhq s VAL 121 N -3.94 4.90 -0.49 8.37 1.01 -1.26 -4.75 120.40 124.24 3hhq s VAL 121 Ca 0.13 0.63 0.13 0.00 0.00 0.00 0.00 61.98 62.87 3hhq s VAL 121 Cb 0.06 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3hhq s VAL 121 CO -0.05 -0.29 0.50 -0.90 0.00 0.00 0.00 175.10 174.36 3hhq n ASP 122 N 6.02 0.91 -2.14 3.32 3.85 -1.26 -4.59 116.55 122.66 3hhq n ASP 122 Ca -0.01 -0.63 -0.27 0.00 -0.71 0.00 0.00 54.79 53.18 3hhq n ASP 122 Cb 0.49 1.14 0.03 0.00 -1.35 0.00 0.00 41.12 41.43 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 -1.47 5.47 -4.82 -1.12 3.85 -1.26 -5.06 116.55 112.14 3hhq n ASP 123 Ca 0.01 -3.76 -0.33 0.00 -0.71 0.00 0.00 54.79 50.01 3hhq n ASP 123 Cb 0.24 -0.48 -0.05 0.00 -1.35 0.00 0.00 41.12 39.48 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 -3.65 3.00 -0.17 2.12 0.00 -1.26 -5.04 121.76 116.76 3hhq s ALA 124 Ca 0.53 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 3hhq s ALA 124 Cb 0.43 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3hhq s ALA 124 CO -0.00 -0.07 0.43 -0.65 0.00 0.00 0.00 175.76 175.47 3hhq s GLN 125 N -3.40 4.25 0.05 0.00 -1.52 -1.26 -5.07 119.66 112.71 3hhq s GLN 125 Ca 0.63 0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 54.05 3hhq s GLN 125 Cb -0.11 -3.49 -0.04 0.00 -0.22 0.00 0.00 33.01 29.14 3hhq s GLN 125 CO 0.19 0.05 0.94 0.42 -0.25 0.00 0.00 175.29 176.64 3hhq s ILE 126 N 1.02 4.70 -0.11 1.08 1.01 -1.26 -5.04 121.20 122.60 3hhq s ILE 126 Ca 0.22 2.00 -0.02 0.00 0.00 0.00 0.00 60.65 62.85 3hhq s ILE 126 Cb -0.15 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 38.07 3hhq s ILE 126 CO 0.08 0.25 -0.00 -0.69 0.00 0.00 0.00 174.94 174.58 3hhq s VAL 127 N 0.47 0.51 0.02 2.92 1.01 -1.26 -5.12 120.40 118.95 3hhq s VAL 127 Ca 0.48 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 3hhq s VAL 127 Cb -0.22 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3hhq s VAL 127 CO 0.28 0.16 0.67 -0.69 0.00 0.00 0.00 175.10 175.52 3hhq s VAL 128 N 1.90 4.82 0.09 2.92 1.01 -1.26 -5.06 120.40 124.83 3hhq s VAL 128 Ca 0.04 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.45 3hhq s VAL 128 Cb -0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3hhq s VAL 128 CO -0.06 0.40 -0.08 0.68 0.00 0.00 0.00 175.10 176.04 3hhq s VAL 129 N -0.18 0.78 0.07 2.92 -7.23 -1.26 -5.06 120.40 110.45 3hhq s VAL 129 Ca 0.34 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 3hhq s VAL 129 Cb -0.19 -1.38 -0.16 0.00 0.56 0.00 0.00 36.38 35.21 3hhq s VAL 129 CO 0.20 -0.66 1.28 0.44 -0.31 0.00 0.00 175.10 176.04 3hhq h ASP 130 N 3.46 0.76 -4.93 4.85 3.32 -2.10 -3.45 116.42 118.33 3hhq h ASP 130 Ca -0.36 -0.62 -0.17 0.00 0.02 0.00 0.00 57.03 55.90 3hhq h ASP 130 Cb 1.18 -0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 3hhq h ASP 130 CO 0.56 1.25 -0.69 -0.94 -1.72 0.00 0.00 179.24 177.70 3hhq s SER 131 N -6.83 0.81 0.00 6.45 1.04 -1.26 -5.36 113.70 108.56 3hhq s SER 131 Ca -0.12 -1.00 0.30 0.00 0.48 0.00 0.00 55.95 55.61 3hhq s SER 131 Cb 0.07 0.15 1.50 0.00 0.10 0.00 0.00 66.02 67.84 3hhq s SER 131 CO 0.86 -0.53 2.00 0.18 0.98 0.00 0.00 173.24 176.72