#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 4.51 -0.38 -0.18 1.01 -1.26 -5.00 120.40 119.10 3hhq s VAL 8 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3hhq s VAL 8 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3hhq s VAL 8 CO 0.00 0.15 0.49 -0.22 0.00 0.00 0.00 175.10 175.51 3hhq s LEU 9 N 1.61 4.54 -0.08 3.92 2.96 -1.26 -3.53 118.68 126.85 3hhq s LEU 9 Ca 0.05 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.47 3hhq s LEU 9 Cb -0.16 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 3hhq s LEU 9 CO 0.05 -0.54 0.49 -0.54 -1.32 0.00 0.00 176.35 174.50 3hhq s LYS 10 N 2.32 4.27 -0.07 1.98 1.02 -0.73 -4.96 119.74 123.57 3hhq s LYS 10 Ca 0.16 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.68 3hhq s LYS 10 Cb -0.16 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 3hhq s LYS 10 CO 0.14 0.28 -0.17 0.42 -0.92 0.00 0.00 175.35 175.11 3hhq s ILE 11 N 0.19 1.48 -0.14 2.17 -1.09 -1.26 -1.53 121.20 121.02 3hhq s ILE 11 Ca 0.26 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3hhq s ILE 11 Cb -0.16 -1.30 -0.00 0.00 -1.58 0.00 0.00 42.46 39.42 3hhq s ILE 11 CO 0.12 0.43 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.51 3hhq s GLN 12 N 0.40 3.20 -0.41 2.79 0.74 0.12 -5.01 119.66 121.49 3hhq s GLN 12 Ca -0.13 -0.77 -0.21 0.00 0.05 0.00 0.00 55.36 54.31 3hhq s GLN 12 Cb -0.15 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.40 3hhq s GLN 12 CO 0.05 0.06 0.66 -0.51 -0.55 0.00 0.00 175.29 175.00 3hhq s LEU 13 N 0.70 4.38 0.38 3.68 1.43 -1.26 -2.04 118.68 125.94 3hhq s LEU 13 Ca -0.08 -0.14 0.23 0.00 -1.03 0.00 0.00 54.13 53.11 3hhq s LEU 13 Cb -0.16 -2.79 0.25 0.00 0.03 0.00 0.00 46.19 43.53 3hhq s LEU 13 CO 0.02 -0.74 1.47 0.03 0.23 0.00 0.00 176.35 177.35 3hhq h ARG 14 N 8.76 0.00 -3.75 1.70 3.08 -1.09 -3.47 114.38 119.62 3hhq h ARG 14 Ca -0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 3hhq h ARG 14 Cb 1.10 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.08 3hhq h ARG 14 CO 0.89 0.01 -0.09 -1.54 -1.07 0.00 0.00 179.97 178.17 3hhq s SER 15 N -6.01 0.33 0.02 7.04 1.04 -1.24 -5.02 113.70 109.86 3hhq s SER 15 Ca 0.05 -1.19 0.15 0.00 0.48 0.00 0.00 55.95 55.44 3hhq s SER 15 Cb 0.06 0.66 0.63 0.00 0.10 0.00 0.00 66.02 67.46 3hhq s SER 15 CO 0.70 -1.29 1.47 0.00 0.98 0.00 0.00 173.24 175.10 3hhq n ALA 16 N -0.48 1.63 0.23 5.32 0.00 -1.26 -2.50 120.51 123.45 3hhq n ALA 16 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.50 3hhq n ALA 16 Cb 0.61 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3hhq n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hhq n SER 17 N -1.57 0.57 -4.75 0.00 7.64 -1.26 -4.94 113.62 109.31 3hhq n SER 17 Ca 0.03 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 3hhq n SER 17 Cb 0.17 0.92 0.03 0.00 -1.01 0.00 0.00 64.21 64.32 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 -3.35 2.56 -0.11 -0.43 0.00 -1.04 -4.43 121.76 114.96 3hhq s ALA 18 Ca -0.01 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.02 3hhq s ALA 18 Cb 0.12 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3hhq s ALA 18 CO 0.82 -1.17 -0.23 0.99 0.00 0.00 0.00 175.76 176.17 3hhq s THR 19 N -1.57 2.09 0.13 0.00 2.01 -1.26 -4.98 115.64 112.05 3hhq s THR 19 Ca 0.77 -1.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 3hhq s THR 19 Cb -0.31 -1.80 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 3hhq s THR 19 CO 0.34 0.56 1.77 -0.69 -0.69 0.00 0.00 174.62 175.90 3hhq s VAL 20 N 0.39 2.53 0.16 3.82 1.01 -1.26 -4.77 120.40 122.29 3hhq s VAL 20 Ca -0.18 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 3hhq s VAL 20 Cb -0.18 -3.09 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 3hhq s VAL 20 CO 0.08 0.00 1.77 -2.84 0.00 0.00 0.00 175.10 174.11 3hhq s PRO 21 N 2.36 4.13 0.07 2.72 0.02 -1.26 -5.02 135.00 138.03 3hhq s PRO 21 Ca 0.78 2.59 0.05 0.00 0.02 0.00 0.00 61.00 64.44 3hhq s PRO 21 Cb -0.45 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 3hhq s PRO 21 CO 0.35 -0.79 -0.13 0.95 -0.33 0.00 0.00 177.00 177.04 3hhq s THR 22 N 1.98 1.05 0.28 0.99 -4.23 -1.23 -4.85 115.64 109.62 3hhq s THR 22 Ca 0.78 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.74 3hhq s THR 22 Cb -0.47 -1.02 -0.10 0.00 1.34 0.00 0.00 72.50 72.25 3hhq s THR 22 CO 0.34 -0.22 1.20 -0.54 -0.54 0.00 0.00 174.62 174.86 3hhq s LYS 23 N -1.66 4.51 0.53 3.99 1.02 -1.26 0.39 119.74 127.25 3hhq s LYS 23 Ca -0.02 1.96 0.28 0.00 0.02 0.00 0.00 55.97 58.21 3hhq s LYS 23 Cb -0.10 -3.16 1.46 0.00 -0.52 0.00 0.00 37.83 35.51 3hhq s LYS 23 CO 0.02 0.01 2.07 0.78 -0.92 0.00 0.00 175.35 177.30 3hhq h GLY 24 N 4.01 0.00 -4.26 -3.33 0.00 -1.96 -3.44 103.07 94.09 3hhq h GLY 24 Ca -0.47 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3hhq h GLY 24 CO 0.68 0.00 -0.30 -1.35 0.00 0.00 0.00 176.54 175.58 3hhq s SER 25 N -6.09 -0.13 0.59 0.19 1.04 -1.26 -5.06 113.70 102.98 3hhq s SER 25 Ca -0.03 -0.07 0.29 0.00 0.48 0.00 0.00 55.95 56.62 3hhq s SER 25 Cb 0.13 0.31 1.45 0.00 0.10 0.00 0.00 66.02 68.01 3hhq s SER 25 CO 0.58 -0.50 1.86 0.00 0.98 0.00 0.00 173.24 176.16 3hhq h ALA 26 N 3.65 2.20 -0.19 5.32 0.00 -2.02 -1.96 119.26 126.26 3hhq h ALA 26 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hhq h ALA 26 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hhq h ALA 26 CO 0.43 -0.77 0.00 -2.37 0.00 0.00 0.00 179.25 176.54 3hhq n THR 27 N -3.65 0.32 -2.00 0.00 5.66 -1.26 -5.02 114.28 108.33 3hhq n THR 27 Ca 0.09 -0.66 -0.36 0.00 -3.05 0.00 0.00 64.05 60.06 3hhq n THR 27 Cb 0.71 1.08 0.03 0.00 -1.55 0.00 0.00 70.33 70.61 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hhq s ALA 28 N -1.31 2.62 0.23 1.79 0.00 -0.74 -4.95 121.76 119.40 3hhq s ALA 28 Ca 0.26 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 3hhq s ALA 28 Cb 0.16 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 20.04 3hhq s ALA 28 CO 0.23 -1.15 1.64 0.00 0.00 0.00 0.00 175.76 176.47 3hhq h ALA 29 N 1.08 0.90 -3.76 0.00 0.00 -1.95 -3.47 119.26 112.07 3hhq h ALA 29 Ca -0.50 -0.38 -0.68 0.00 0.00 0.00 0.00 54.91 53.34 3hhq h ALA 29 Cb 1.29 -0.14 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 3hhq h ALA 29 CO 0.56 0.62 -0.84 0.20 0.00 0.00 0.00 179.25 179.79 3hhq s GLY 30 N -3.92 1.64 -0.06 0.00 0.00 -1.26 -4.56 107.32 99.16 3hhq s GLY 30 Ca -0.09 -1.44 -0.27 0.00 0.00 0.00 0.00 44.72 42.92 3hhq s GLY 30 CO 0.83 -1.43 0.86 -0.19 0.00 0.00 0.00 173.10 173.17 3hhq s TYR 31 N -1.16 3.58 0.12 1.90 1.51 0.41 -4.29 117.35 119.42 3hhq s TYR 31 Ca 0.16 1.46 -0.35 0.00 -1.01 0.00 0.00 57.07 57.34 3hhq s TYR 31 Cb -0.10 -3.00 -0.14 0.00 -0.11 0.00 0.00 41.96 38.61 3hhq s TYR 31 CO 0.08 -0.03 1.54 -0.25 -1.11 0.00 0.00 175.55 175.78 3hhq n ASP 32 N 4.17 2.75 -4.41 2.29 8.00 0.16 -0.28 116.55 129.23 3hhq n ASP 32 Ca 0.03 1.09 -0.35 0.00 0.71 0.00 0.00 54.79 56.27 3hhq n ASP 32 Cb 0.51 -1.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.12 3hhq n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hhq s ILE 33 N 1.04 3.75 -0.14 0.53 -1.09 -0.52 -3.56 121.20 121.22 3hhq s ILE 33 Ca 0.81 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.81 3hhq s ILE 33 Cb -0.75 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 3hhq s ILE 33 CO 0.41 0.43 0.04 -0.31 -1.23 0.00 0.00 174.94 174.28 3hhq s TYR 34 N 1.11 3.24 0.29 3.97 2.02 -1.26 -0.75 117.35 125.98 3hhq s TYR 34 Ca 0.02 0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.56 3hhq s TYR 34 Cb -0.14 -1.94 -0.12 0.00 -0.40 0.00 0.00 41.96 39.35 3hhq s TYR 34 CO 0.01 0.33 1.47 0.00 -1.57 0.00 0.00 175.55 175.79 3hhq n ALA 35 N 2.81 1.86 0.65 3.71 0.00 0.11 -4.59 120.51 125.06 3hhq n ALA 35 Ca -0.18 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.71 3hhq n ALA 35 Cb 0.53 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 3hhq n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hhq n SER 36 N 1.72 1.14 -3.89 0.00 3.41 -0.71 -0.01 113.62 115.29 3hhq n SER 36 Ca 0.08 -1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 3hhq n SER 36 Cb 0.35 0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.00 0.60 0.28 4.33 -0.21 -1.26 -4.76 119.66 116.65 3hhq s GLN 37 Ca 0.09 -0.65 -0.25 0.00 0.02 0.00 0.00 55.36 54.57 3hhq s GLN 37 Cb 0.11 0.24 -0.09 0.00 1.00 0.00 0.00 33.01 34.27 3hhq s GLN 37 CO 0.45 -0.16 0.89 -0.51 -2.12 0.00 0.00 175.29 173.84 3hhq s ASP 38 N -1.97 7.33 0.02 5.90 1.01 -1.26 -4.10 116.67 123.58 3hhq s ASP 38 Ca -0.07 1.76 -0.28 0.00 0.71 0.00 0.00 52.55 54.66 3hhq s ASP 38 Cb -0.02 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.43 3hhq s ASP 38 CO -0.03 -0.00 0.67 -0.51 0.21 0.00 0.00 175.17 175.51 3hhq s ILE 39 N -1.51 0.00 -0.08 0.77 1.10 -0.62 -4.98 121.20 115.88 3hhq s ILE 39 Ca 0.47 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.63 3hhq s ILE 39 Cb -0.19 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.39 3hhq s ILE 39 CO 0.24 0.00 -0.14 -0.89 -2.11 0.00 0.00 174.94 172.04 3hhq s THR 40 N -2.10 3.02 -0.40 4.00 2.01 -1.26 0.03 115.64 120.94 3hhq s THR 40 Ca -0.06 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 3hhq s THR 40 Cb -0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3hhq s THR 40 CO 0.01 0.56 0.35 -0.63 -0.69 0.00 0.00 174.62 174.23 3hhq s ILE 41 N -0.29 5.19 0.38 1.82 -1.09 0.54 -4.81 121.20 122.94 3hhq s ILE 41 Ca 0.02 -0.44 -0.27 0.00 -2.23 0.00 0.00 60.65 57.74 3hhq s ILE 41 Cb -0.13 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 36.73 3hhq s ILE 41 CO 0.03 -0.30 1.30 -2.16 -1.23 0.00 0.00 174.94 172.58 3hhq s PRO 42 N 1.87 4.08 0.21 2.79 0.04 -1.26 -1.34 135.00 141.39 3hhq s PRO 42 Ca 0.08 2.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 3hhq s PRO 42 Cb -0.18 -2.84 -0.16 0.00 0.04 0.00 0.00 34.50 31.36 3hhq s PRO 42 CO 0.11 -0.40 1.01 0.00 0.04 0.00 0.00 177.00 177.76 3hhq n ALA 43 N 0.31 -1.04 -1.32 8.56 0.00 -1.26 -0.92 120.51 124.84 3hhq n ALA 43 Ca 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 3hhq n ALA 43 Cb 0.43 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.88 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 1.29 -1.54 0.00 0.00 2.81 0.02 -4.92 117.12 114.77 3hhq n MET 44 Ca 0.14 0.87 0.00 0.00 -1.81 0.00 0.00 57.70 56.90 3hhq n MET 44 Cb 0.26 -5.21 0.00 0.00 -0.71 0.00 0.00 33.22 27.56 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 -0.08 7.13 3.15 3.03 0.00 -0.10 -4.85 105.19 113.48 3hhq n GLY 45 Ca -0.11 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.82 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 1.12 0.89 0.17 1.61 0.74 -1.26 -0.88 119.66 122.05 3hhq s GLN 46 Ca 0.00 -0.83 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 3hhq s GLN 46 Cb 0.00 -0.90 -0.01 0.00 1.10 0.00 0.00 33.01 33.20 3hhq s GLN 46 CO 0.00 0.21 0.27 0.20 -0.55 0.00 0.00 175.29 175.43 3hhq s GLY 47 N -1.35 0.58 -0.11 2.59 0.00 -0.60 -4.41 107.32 104.01 3hhq s GLY 47 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.77 3hhq s GLY 47 CO 0.02 -0.89 -0.21 1.06 0.00 0.00 0.00 173.10 173.07 3hhq s MET 48 N -3.99 3.11 -0.20 2.90 -1.94 -1.26 -1.54 119.30 116.38 3hhq s MET 48 Ca 0.20 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.23 3hhq s MET 48 Cb 0.03 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.43 3hhq s MET 48 CO 0.02 0.14 0.17 0.08 -0.01 0.00 0.00 175.02 175.43 3hhq s VAL 49 N 0.45 5.38 0.25 -6.03 1.01 0.14 -4.94 120.40 116.65 3hhq s VAL 49 Ca -0.15 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 3hhq s VAL 49 Cb -0.17 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3hhq s VAL 49 CO 0.06 0.41 0.72 -0.94 0.00 0.00 0.00 175.10 175.35 3hhq s SER 50 N 0.50 6.95 -0.00 3.32 1.04 -1.26 -1.01 113.70 123.23 3hhq s SER 50 Ca 0.10 1.35 0.01 0.00 0.48 0.00 0.00 55.95 57.89 3hhq s SER 50 Cb -0.12 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 3hhq s SER 50 CO 0.00 -0.04 0.02 0.35 0.98 0.00 0.00 173.24 174.55 3hhq n THR 51 N 0.36 0.03 -2.86 2.02 -2.24 -1.26 -1.73 114.28 108.60 3hhq n THR 51 Ca -0.01 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 3hhq n THR 51 Cb 0.52 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3hhq n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hhq n ASP 52 N -1.74 -3.89 -4.44 3.42 8.00 -1.26 -4.34 116.55 112.30 3hhq n ASP 52 Ca -0.01 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.14 3hhq n ASP 52 Cb 0.23 -3.26 -0.12 0.00 -0.02 0.00 0.00 41.12 37.95 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 -2.76 2.54 0.25 0.53 -4.36 -1.26 -0.40 121.20 115.74 3hhq s ILE 53 Ca 0.18 -1.68 0.07 0.00 -0.26 0.00 0.00 60.65 58.96 3hhq s ILE 53 Cb -0.10 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 3hhq s ILE 53 CO 0.23 0.06 -0.08 -0.44 0.24 0.00 0.00 174.94 174.95 3hhq s SER 54 N -2.19 2.61 0.04 4.36 0.01 -0.87 -1.12 113.70 116.55 3hhq s SER 54 Ca 0.17 -1.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.02 3hhq s SER 54 Cb -0.10 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.06 3hhq s SER 54 CO 0.08 -0.30 0.66 0.72 0.41 0.00 0.00 173.24 174.81 3hhq s PHE 55 N -3.04 -0.59 -0.27 2.43 -0.71 -1.26 -0.71 117.98 113.84 3hhq s PHE 55 Ca 0.27 0.73 0.02 0.00 -1.04 0.00 0.00 56.93 56.91 3hhq s PHE 55 Cb 0.02 0.48 0.05 0.00 -1.21 0.00 0.00 43.02 42.37 3hhq s PHE 55 CO 0.10 -0.71 -0.09 0.99 -1.34 0.00 0.00 175.22 174.17 3hhq s THR 56 N -2.39 2.38 0.76 -4.49 2.01 -0.58 -4.77 115.64 108.55 3hhq s THR 56 Ca -0.05 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.32 3hhq s THR 56 Cb -0.00 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.18 3hhq s THR 56 CO -0.01 -0.02 1.09 0.68 -0.69 0.00 0.00 174.62 175.67 3hhq s VAL 57 N 1.15 3.46 0.82 3.82 -7.23 -1.26 -1.77 120.40 119.39 3hhq s VAL 57 Ca -0.07 0.47 -0.13 0.00 -1.81 0.00 0.00 61.98 60.44 3hhq s VAL 57 Cb -0.20 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.80 3hhq s VAL 57 CO -0.04 -0.62 0.94 -2.65 -0.31 0.00 0.00 175.10 172.42 3hhq n PRO 58 N -3.45 0.08 -2.04 4.82 -0.02 -1.23 -4.92 135.00 128.24 3hhq n PRO 58 Ca 0.09 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 3hhq n PRO 58 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3hhq n PRO 58 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hhq s VAL 59 N -2.17 2.70 0.00 -1.45 1.01 -1.26 -2.50 120.40 116.74 3hhq s VAL 59 Ca 0.69 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3hhq s VAL 59 Cb -0.28 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3hhq s VAL 59 CO 0.55 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3hhq n GLY 60 N 1.99 0.68 3.25 4.51 0.00 -1.26 -5.07 105.19 109.29 3hhq n GLY 60 Ca 0.06 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.27 0.19 2.61 -4.23 -1.04 -2.01 115.64 109.43 3hhq s THR 61 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3hhq s THR 61 Cb 0.00 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 3hhq s THR 61 CO 0.00 -0.04 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.27 3hhq s TYR 62 N -3.96 1.40 -0.25 3.99 1.13 -0.97 -4.61 117.35 114.08 3hhq s TYR 62 Ca 0.37 -0.86 -0.15 0.00 -1.41 0.00 0.00 57.07 55.02 3hhq s TYR 62 Cb 0.07 -0.77 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 3hhq s TYR 62 CO 0.12 -0.00 0.39 0.20 -2.51 0.00 0.00 175.55 173.75 3hhq s GLY 63 N -3.23 1.93 -0.25 5.49 0.00 -0.51 -2.08 107.32 108.67 3hhq s GLY 63 Ca 0.23 -0.71 -0.10 0.00 0.00 0.00 0.00 44.72 44.13 3hhq s GLY 63 CO 0.05 0.96 0.16 -1.60 0.00 0.00 0.00 173.10 172.67 3hhq s ARG 64 N 1.87 4.02 -0.55 2.90 3.52 0.11 -0.62 118.95 130.21 3hhq s ARG 64 Ca 0.17 -0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.21 3hhq s ARG 64 Cb -0.15 -3.56 0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3hhq s ARG 64 CO 0.09 -0.01 1.08 0.42 -0.81 0.00 0.00 175.30 176.07 3hhq s ILE 65 N 1.26 4.20 0.24 4.11 -1.09 -0.35 -0.12 121.20 129.45 3hhq s ILE 65 Ca 0.07 0.72 0.11 0.00 -2.23 0.00 0.00 60.65 59.33 3hhq s ILE 65 Cb -0.14 -4.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.07 3hhq s ILE 65 CO 0.06 -1.18 -0.16 0.00 -1.23 0.00 0.00 174.94 172.43 3hhq s ALA 66 N 4.46 2.81 0.36 9.38 0.00 0.13 -4.67 121.76 134.23 3hhq s ALA 66 Ca 0.39 -1.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 3hhq s ALA 66 Cb -0.09 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 3hhq s ALA 66 CO 0.24 0.34 1.19 -1.25 0.00 0.00 0.00 175.76 176.28 3hhq s PRO 67 N -3.25 4.26 0.21 0.00 0.04 -1.26 -0.10 135.00 134.90 3hhq s PRO 67 Ca 0.27 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 3hhq s PRO 67 Cb -0.06 -2.89 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3hhq s PRO 67 CO 0.15 -0.17 1.42 1.03 0.04 0.00 0.00 177.00 179.46 3hhq s ARG 68 N -1.98 4.30 0.17 4.56 0.52 -1.26 -4.68 118.95 120.57 3hhq s ARG 68 Ca 0.52 2.22 -0.07 0.00 -0.52 0.00 0.00 55.73 57.89 3hhq s ARG 68 Cb -0.33 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.02 3hhq s ARG 68 CO 0.43 -0.40 1.48 0.77 0.02 0.00 0.00 175.30 177.60 3hhq h SER 69 N 5.48 0.81 0.01 0.23 0.02 -1.96 -2.56 113.55 115.57 3hhq h SER 69 Ca -0.45 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 59.97 3hhq h SER 69 Cb 1.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3hhq h SER 69 CO 0.80 1.16 -0.36 1.23 -1.14 0.00 0.00 176.83 178.52 3hhq h GLY 70 N 0.89 0.52 1.82 -3.77 0.00 -1.99 -1.57 103.07 98.96 3hhq h GLY 70 Ca 0.02 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 3hhq h GLY 70 CO 0.10 0.44 -0.85 1.41 0.00 0.00 0.00 176.54 177.65 3hhq h LEU 71 N 0.40 0.21 0.31 3.11 3.38 -1.90 0.33 115.31 121.16 3hhq h LEU 71 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hhq h LEU 71 Cb 0.82 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3hhq h LEU 71 CO 0.07 0.96 -0.37 0.00 0.09 0.00 0.00 178.44 179.19 3hhq h ALA 72 N 1.03 -0.76 -0.28 1.53 0.00 -1.19 -0.14 119.26 119.44 3hhq h ALA 72 Ca -0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3hhq h ALA 72 Cb 1.46 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3hhq h ALA 72 CO 0.13 -0.97 -0.46 0.28 0.00 0.00 0.00 179.25 178.22 3hhq h VAL 73 N -0.72 1.29 0.00 0.00 2.07 -1.16 -0.99 116.25 116.74 3hhq h VAL 73 Ca -0.01 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3hhq h VAL 73 Cb 0.67 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3hhq h VAL 73 CO -0.10 0.53 -1.81 0.29 0.02 0.00 0.00 177.57 176.50 3hhq n LYS 74 N -4.02 0.56 0.00 1.57 5.02 0.12 -4.59 118.16 116.81 3hhq n LYS 74 Ca -0.03 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3hhq n LYS 74 Cb 0.57 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.12 0.40 -0.50 4.39 3.02 -0.18 -5.01 115.26 115.27 3hhq n ASN 75 Ca -0.03 -1.01 -0.06 0.00 -0.03 0.00 0.00 54.58 53.45 3hhq n ASN 75 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.85 3.80 7.41 0.00 -0.38 -4.28 105.19 112.59 3hhq n GLY 76 Ca 0.00 -0.76 -0.38 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 -2.24 4.53 -0.03 -0.61 -1.09 -0.55 -0.79 121.20 120.42 3hhq s ILE 77 Ca 0.00 1.41 -0.04 0.00 -2.23 0.00 0.00 60.65 59.80 3hhq s ILE 77 Cb 0.00 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 3hhq s ILE 77 CO 0.00 0.37 0.10 -1.58 -1.23 0.00 0.00 174.94 172.59 3hhq s GLN 78 N -1.57 0.17 0.41 2.79 2.00 -0.41 -3.41 119.66 119.64 3hhq s GLN 78 Ca 0.38 0.04 -0.15 0.00 -2.00 0.00 0.00 55.36 53.64 3hhq s GLN 78 Cb -0.19 0.08 -0.08 0.00 0.80 0.00 0.00 33.01 33.61 3hhq s GLN 78 CO 0.22 -0.03 0.84 0.95 -0.50 0.00 0.00 175.29 176.77 3hhq s THR 79 N -0.19 4.64 0.45 -0.34 -4.23 -1.26 -0.36 115.64 114.36 3hhq s THR 79 Ca -0.03 0.97 0.05 0.00 -1.18 0.00 0.00 61.69 61.50 3hhq s THR 79 Cb -0.02 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 3hhq s THR 79 CO 0.00 -0.44 0.07 -0.83 -0.54 0.00 0.00 174.62 172.87 3hhq s GLY 80 N -2.77 2.63 0.00 3.99 0.00 0.69 -4.84 107.32 107.01 3hhq s GLY 80 Ca 0.55 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3hhq s GLY 80 CO 0.25 -2.08 0.00 0.00 0.00 0.00 0.00 173.10 171.27 3hhq n ALA 81 N -1.17 0.00 0.00 3.20 0.00 -1.26 -4.41 120.51 116.87 3hhq n ALA 81 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hhq n ALA 81 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.36 3.37 0.00 0.00 -1.26 -4.94 105.19 102.73 3hhq n GLY 82 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3hhq n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhq s VAL 83 N -2.00 4.89 -0.51 1.61 1.01 -1.26 -1.21 120.40 122.93 3hhq s VAL 83 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 3hhq s VAL 83 Cb 0.00 -4.51 0.04 0.00 0.00 0.00 0.00 36.38 31.91 3hhq s VAL 83 CO 0.00 -1.14 0.79 -0.69 0.00 0.00 0.00 175.10 174.06 3hhq s VAL 84 N 2.45 4.62 0.50 2.92 1.01 0.21 -4.98 120.40 127.12 3hhq s VAL 84 Ca 0.13 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3hhq s VAL 84 Cb -0.22 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 3hhq s VAL 84 CO 0.04 -0.91 1.35 -1.81 0.00 0.00 0.00 175.10 173.77 3hhq s ASP 85 N 2.60 5.63 0.43 3.32 1.11 -1.26 -1.43 116.67 127.06 3hhq s ASP 85 Ca 0.25 2.76 0.13 0.00 0.18 0.00 0.00 52.55 55.87 3hhq s ASP 85 Cb -0.15 -2.64 1.01 0.00 1.07 0.00 0.00 42.92 42.22 3hhq s ASP 85 CO 0.18 -1.33 1.97 -0.09 1.18 0.00 0.00 175.17 177.08 3hhq h ARG 86 N 1.88 0.42 -0.10 8.23 2.43 -1.91 -1.58 114.38 123.75 3hhq h ARG 86 Ca -0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3hhq h ARG 86 Cb 1.28 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3hhq h ARG 86 CO 0.59 0.28 0.00 -0.40 -1.51 0.00 0.00 179.97 178.93 3hhq n ASP 87 N -4.47 0.91 -4.68 -3.80 3.85 -1.26 -4.54 116.55 102.56 3hhq n ASP 87 Ca 0.10 -1.62 -0.43 0.00 -0.71 0.00 0.00 54.79 52.13 3hhq n ASP 87 Cb 0.38 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 40.06 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 -1.87 3.40 -0.09 2.11 5.04 -0.60 -4.93 117.35 120.42 3hhq s TYR 88 Ca 0.28 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.41 3hhq s TYR 88 Cb 0.14 -3.25 0.01 0.00 0.35 0.00 0.00 41.96 39.21 3hhq s TYR 88 CO 0.22 -0.50 0.72 0.25 -1.34 0.00 0.00 175.55 174.90 3hhq n THR 89 N 4.75 0.39 -1.88 4.34 -2.24 -1.26 -4.51 114.28 113.87 3hhq n THR 89 Ca 0.10 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 3hhq n THR 89 Cb 0.48 0.82 0.17 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.43 1.74 0.28 3.38 0.00 -1.26 -4.87 107.32 106.16 3hhq s GLY 90 Ca 0.01 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 3hhq s GLY 90 CO 0.01 -0.37 1.48 1.85 0.00 0.00 0.00 173.10 176.07 3hhq s GLU 91 N -5.82 4.22 -0.67 2.90 2.12 -1.26 -4.49 118.70 115.71 3hhq s GLU 91 Ca 0.72 2.40 -0.24 0.00 0.36 0.00 0.00 54.97 58.21 3hhq s GLU 91 Cb -0.05 -3.07 0.06 0.00 0.26 0.00 0.00 34.13 31.32 3hhq s GLU 91 CO 0.53 -0.47 1.05 0.08 -0.54 0.00 0.00 175.26 175.90 3hhq s VAL 92 N -0.17 4.17 0.16 3.70 1.01 -0.27 -5.00 120.40 124.00 3hhq s VAL 92 Ca 0.59 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 3hhq s VAL 92 Cb -0.44 -4.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.15 3hhq s VAL 92 CO 0.47 -1.52 0.46 -0.54 0.00 0.00 0.00 175.10 173.97 3hhq s LYS 93 N 4.49 3.75 -0.26 2.72 1.02 -1.26 -4.03 119.74 126.17 3hhq s LYS 93 Ca 0.27 0.16 -0.17 0.00 0.02 0.00 0.00 55.97 56.24 3hhq s LYS 93 Cb -0.14 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 3hhq s LYS 93 CO 0.13 0.43 0.46 0.08 -0.92 0.00 0.00 175.35 175.53 3hhq s VAL 94 N -1.64 5.11 -0.12 3.17 1.01 -0.18 -4.92 120.40 122.84 3hhq s VAL 94 Ca 0.41 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 3hhq s VAL 94 Cb -0.12 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3hhq s VAL 94 CO 0.21 0.12 1.42 -0.69 0.00 0.00 0.00 175.10 176.16 3hhq s VAL 95 N 2.15 4.00 -0.05 2.92 1.01 -1.26 0.27 120.40 129.43 3hhq s VAL 95 Ca 0.19 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.44 3hhq s VAL 95 Cb -0.16 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3hhq s VAL 95 CO 0.09 -0.10 -0.23 -0.76 0.00 0.00 0.00 175.10 174.10 3hhq s LEU 96 N 3.68 2.03 -0.09 3.92 1.43 -0.59 -0.22 118.68 128.84 3hhq s LEU 96 Ca 0.62 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3hhq s LEU 96 Cb -0.26 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3hhq s LEU 96 CO 0.21 0.23 -0.01 -0.36 0.23 0.00 0.00 176.35 176.64 3hhq s PHE 97 N -0.13 3.12 -0.32 0.29 2.99 0.52 -1.56 117.98 122.88 3hhq s PHE 97 Ca -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 56.93 57.00 3hhq s PHE 97 Cb -0.13 -1.80 0.06 0.00 0.00 0.00 0.00 43.02 41.15 3hhq s PHE 97 CO 0.03 0.40 0.04 1.21 -0.00 0.00 0.00 175.22 176.90 3hhq s ASN 98 N -0.74 5.00 0.00 1.36 3.84 -0.06 -1.29 114.94 123.04 3hhq s ASN 98 Ca 0.11 -1.35 0.28 0.00 0.21 0.00 0.00 52.86 52.11 3hhq s ASN 98 Cb -0.12 -1.75 1.12 0.00 -0.55 0.00 0.00 41.25 39.96 3hhq s ASN 98 CO 0.02 -0.30 1.79 1.41 -2.79 0.00 0.00 177.10 177.22 3hhq n HIS 99 N 4.64 0.00 -2.13 0.43 8.25 0.03 -0.80 115.22 125.64 3hhq n HIS 99 Ca -0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 3hhq n HIS 99 Cb 0.43 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.59 3hhq n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hhq n SER 100 N -0.56 0.56 -1.87 0.41 3.41 -1.26 -4.72 113.62 109.59 3hhq n SER 100 Ca 0.16 -1.66 -0.02 0.00 -0.26 0.00 0.00 58.87 57.09 3hhq n SER 100 Cb 0.30 -0.73 0.31 0.00 -0.26 0.00 0.00 64.21 63.83 3hhq n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhq n GLN 101 N -3.05 3.82 -4.10 4.33 1.13 -1.26 -2.59 117.38 115.66 3hhq n GLN 101 Ca 0.14 -2.81 -0.20 0.00 -1.94 0.00 0.00 57.00 52.20 3hhq n GLN 101 Cb 0.50 -2.16 -0.16 0.00 0.11 0.00 0.00 30.24 28.53 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 -2.71 0.73 0.45 -1.09 0.52 -1.26 -4.93 118.95 110.67 3hhq s ARG 102 Ca 0.50 -0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 3hhq s ARG 102 Cb 0.39 -0.79 -0.08 0.00 0.52 0.00 0.00 34.95 35.00 3hhq s ARG 102 CO 0.13 -0.10 1.31 -0.51 0.02 0.00 0.00 175.30 176.15 3hhq s ASP 103 N 0.99 6.01 -0.32 0.23 -0.00 -1.26 -4.10 116.67 118.21 3hhq s ASP 103 Ca -0.10 2.66 -0.08 0.00 -0.00 0.00 0.00 52.55 55.03 3hhq s ASP 103 Cb -0.14 -2.63 0.02 0.00 -0.00 0.00 0.00 42.92 40.16 3hhq s ASP 103 CO -0.00 -1.06 0.12 0.12 -0.00 0.00 0.00 175.17 174.35 3hhq s PHE 104 N -1.31 3.19 -0.01 4.23 2.19 -0.45 -4.91 117.98 120.91 3hhq s PHE 104 Ca 0.62 -1.00 -0.21 0.00 0.33 0.00 0.00 56.93 56.67 3hhq s PHE 104 Cb -0.38 -2.31 -0.05 0.00 -1.31 0.00 0.00 43.02 38.97 3hhq s PHE 104 CO 0.47 -0.60 0.59 0.00 1.83 0.00 0.00 175.22 177.52 3hhq s ALA 105 N 1.51 3.48 -0.06 11.12 0.00 -1.26 -0.34 121.76 136.21 3hhq s ALA 105 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3hhq s ALA 105 Cb -0.18 -2.75 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 3hhq s ALA 105 CO 0.04 0.15 -0.20 0.42 0.00 0.00 0.00 175.76 176.16 3hhq s ILE 106 N -0.13 1.71 0.16 0.00 1.01 0.10 -4.99 121.20 119.07 3hhq s ILE 106 Ca 0.31 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.18 3hhq s ILE 106 Cb -0.18 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3hhq s ILE 106 CO 0.17 0.48 -0.09 -0.54 0.00 0.00 0.00 174.94 174.97 3hhq s LYS 107 N 0.06 2.11 0.09 2.79 -0.14 -1.26 -1.59 119.74 121.80 3hhq s LYS 107 Ca -0.07 -1.18 -0.36 0.00 -1.36 0.00 0.00 55.97 53.00 3hhq s LYS 107 Cb -0.14 -2.22 -0.18 0.00 -1.68 0.00 0.00 37.83 33.62 3hhq s LYS 107 CO 0.04 0.46 1.16 1.17 -0.76 0.00 0.00 175.35 177.41 3hhq n LYS 108 N 0.23 0.71 0.00 1.68 4.81 -1.26 -0.98 118.16 123.35 3hhq n LYS 108 Ca -0.12 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3hhq n LYS 108 Cb 0.54 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 2.04 1.16 3.78 3.14 0.00 0.99 -4.97 105.19 111.33 3hhq n GLY 109 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.09 7.12 -0.07 1.61 1.01 -0.15 -4.77 116.67 119.33 3hhq s ASP 110 Ca 0.00 1.98 -0.29 0.00 0.71 0.00 0.00 52.55 54.95 3hhq s ASP 110 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3hhq s ASP 110 CO 0.00 -0.23 0.95 -0.13 0.21 0.00 0.00 175.17 175.97 3hhq s ARG 111 N -2.09 4.47 0.00 8.23 0.52 -1.26 0.05 118.95 128.86 3hhq s ARG 111 Ca 0.52 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3hhq s ARG 111 Cb -0.22 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.74 3hhq s ARG 111 CO 0.28 -0.18 0.00 1.33 0.02 0.00 0.00 175.30 176.75 3hhq n VAL 112 N 4.24 0.00 -3.82 3.52 0.24 0.07 -4.93 118.33 117.66 3hhq n VAL 112 Ca 0.06 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.34 62.07 3hhq n VAL 112 Cb 0.50 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.89 -1.45 0.10 2.33 0.00 -1.22 -4.67 121.76 115.96 3hhq s ALA 113 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.81 3hhq s ALA 113 Cb 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3hhq s ALA 113 CO 0.00 -1.04 -0.14 1.14 0.00 0.00 0.00 175.76 175.72 3hhq s GLN 114 N -2.81 0.94 -0.25 0.00 -2.07 0.86 -1.44 119.66 114.88 3hhq s GLN 114 Ca 0.16 -1.12 -0.07 0.00 -1.82 0.00 0.00 55.36 52.50 3hhq s GLN 114 Cb -0.03 -0.87 -0.03 0.00 -1.09 0.00 0.00 33.01 31.00 3hhq s GLN 114 CO 0.05 0.18 0.07 -1.17 -1.32 0.00 0.00 175.29 173.10 3hhq s LEU 115 N -2.17 3.46 -0.12 2.60 2.96 0.61 0.20 118.68 126.22 3hhq s LEU 115 Ca 0.04 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3hhq s LEU 115 Cb -0.07 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3hhq s LEU 115 CO 0.03 -0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.30 3hhq s ILE 116 N 1.58 3.38 -1.11 6.68 1.01 0.82 -0.44 121.20 133.12 3hhq s ILE 116 Ca 0.06 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 3hhq s ILE 116 Cb -0.15 -2.43 0.15 0.00 0.01 0.00 0.00 42.46 40.04 3hhq s ILE 116 CO 0.04 0.53 1.33 -0.76 0.00 0.00 0.00 174.94 176.08 3hhq s LEU 117 N 0.15 5.00 -0.03 2.97 1.43 -1.26 0.09 118.68 127.03 3hhq s LEU 117 Ca -0.05 -2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 50.12 3hhq s LEU 117 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3hhq s LEU 117 CO 0.04 -0.88 1.31 -1.61 0.23 0.00 0.00 176.35 175.44 3hhq s GLU 118 N 2.08 4.31 0.24 1.70 0.41 -0.88 -4.90 118.70 121.66 3hhq s GLU 118 Ca 0.40 1.83 -0.25 0.00 -0.41 0.00 0.00 54.97 56.54 3hhq s GLU 118 Cb -0.03 -3.57 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 3hhq s GLU 118 CO -0.03 -0.52 0.84 0.15 -0.49 0.00 0.00 175.26 175.20 3hhq s LYS 119 N 2.36 4.52 0.12 1.61 1.02 -1.26 -2.29 119.74 125.82 3hhq s LYS 119 Ca 0.60 1.17 -0.07 0.00 0.02 0.00 0.00 55.97 57.70 3hhq s LYS 119 Cb -0.28 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3hhq s LYS 119 CO 0.24 0.42 0.18 0.96 -0.92 0.00 0.00 175.35 176.23 3hhq s ILE 120 N -1.42 0.11 -0.44 2.17 -4.36 -0.85 -4.98 121.20 111.44 3hhq s ILE 120 Ca 0.43 -1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 59.15 3hhq s ILE 120 Cb -0.20 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3hhq s ILE 120 CO 0.25 -0.51 0.65 -0.69 0.24 0.00 0.00 174.94 174.88 3hhq s VAL 121 N -3.95 4.82 -2.57 8.37 1.01 -1.26 -4.69 120.40 122.13 3hhq s VAL 121 Ca 0.14 0.16 0.23 0.00 0.00 0.00 0.00 61.98 62.50 3hhq s VAL 121 Cb 0.05 -4.21 0.34 0.00 0.00 0.00 0.00 36.38 32.56 3hhq s VAL 121 CO -0.04 -0.60 1.33 -0.90 0.00 0.00 0.00 175.10 174.90 3hhq n ASP 122 N 6.29 3.27 -1.00 3.32 3.85 -1.26 -4.43 116.55 126.59 3hhq n ASP 122 Ca -0.01 -1.98 0.03 0.00 -0.71 0.00 0.00 54.79 52.12 3hhq n ASP 122 Cb 0.48 -0.16 0.14 0.00 -1.35 0.00 0.00 41.12 40.23 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 1.41 1.79 -4.77 -1.12 3.85 -1.26 -5.08 116.55 111.36 3hhq n ASP 123 Ca 0.17 -3.37 -0.36 0.00 -0.71 0.00 0.00 54.79 50.52 3hhq n ASP 123 Cb 0.59 -0.46 -0.00 0.00 -1.35 0.00 0.00 41.12 39.90 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 -2.49 2.84 -0.19 2.12 0.00 -1.26 -5.02 121.76 117.76 3hhq s ALA 124 Ca 0.38 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 3hhq s ALA 124 Cb 0.38 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3hhq s ALA 124 CO -0.08 -0.72 0.34 -0.65 0.00 0.00 0.00 175.76 174.65 3hhq s GLN 125 N -2.97 4.19 0.30 0.00 -1.52 -1.26 -5.07 119.66 113.33 3hhq s GLN 125 Ca 0.68 0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.91 3hhq s GLN 125 Cb -0.27 -3.50 -0.11 0.00 -0.22 0.00 0.00 33.01 28.91 3hhq s GLN 125 CO 0.31 0.07 1.58 0.42 -0.25 0.00 0.00 175.29 177.42 3hhq s ILE 126 N 0.99 2.09 -0.09 1.08 1.01 -1.26 -5.02 121.20 119.99 3hhq s ILE 126 Ca 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 3hhq s ILE 126 Cb -0.14 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.31 3hhq s ILE 126 CO 0.06 0.01 -0.06 -0.69 0.00 0.00 0.00 174.94 174.26 3hhq s VAL 127 N -0.09 0.84 -0.11 2.92 1.01 -1.26 -5.12 120.40 118.60 3hhq s VAL 127 Ca 0.62 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 3hhq s VAL 127 Cb -0.47 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3hhq s VAL 127 CO 0.49 0.33 0.62 -0.69 0.00 0.00 0.00 175.10 175.85 3hhq s VAL 128 N 1.57 5.08 0.23 2.92 1.01 -1.26 -5.06 120.40 124.89 3hhq s VAL 128 Ca 0.01 1.25 0.08 0.00 0.00 0.00 0.00 61.98 63.32 3hhq s VAL 128 Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3hhq s VAL 128 CO -0.05 0.24 -0.12 0.68 0.00 0.00 0.00 175.10 175.85 3hhq s VAL 129 N 0.99 1.73 0.03 2.92 -7.23 -1.26 -5.06 120.40 112.51 3hhq s VAL 129 Ca 0.32 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.12 3hhq s VAL 129 Cb -0.17 -2.17 -0.19 0.00 0.56 0.00 0.00 36.38 34.42 3hhq s VAL 129 CO 0.14 -0.51 1.20 -0.78 -0.31 0.00 0.00 175.10 174.84 3hhq h ASP 130 N 2.47 0.58 -5.02 4.85 1.82 -2.03 -3.47 116.42 115.63 3hhq h ASP 130 Ca -0.39 -0.67 -0.10 0.00 -0.39 0.00 0.00 57.03 55.49 3hhq h ASP 130 Cb 1.23 -0.17 -0.18 0.00 0.68 0.00 0.00 39.33 40.88 3hhq h ASP 130 CO 0.63 1.16 -0.21 -0.94 -1.61 0.00 0.00 179.24 178.28 3hhq s SER 131 N -6.67 -0.21 0.28 2.28 1.04 -1.26 -5.04 113.70 104.12 3hhq s SER 131 Ca -0.13 0.02 0.15 0.00 0.48 0.00 0.00 55.95 56.47 3hhq s SER 131 Cb 0.05 0.36 0.17 0.00 0.10 0.00 0.00 66.02 66.69 3hhq s SER 131 CO 0.82 -0.55 1.49 -0.07 0.98 0.00 0.00 173.24 175.91 3hhq h LEU 132 N 3.45 0.00 -0.44 2.42 3.38 -2.04 -3.54 115.31 118.54 3hhq h LEU 132 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hhq h LEU 132 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hhq h LEU 132 CO 0.43 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.86