#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 2.10 -0.44 3.15 1.01 -1.26 -5.02 120.40 119.94 3hhq s VAL 8 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3hhq s VAL 8 Cb 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.57 3hhq s VAL 8 CO 0.00 0.54 0.40 -0.22 0.00 0.00 0.00 175.10 175.83 3hhq s LEU 9 N 0.92 5.15 -0.12 3.92 2.96 -1.26 -3.46 118.68 126.79 3hhq s LEU 9 Ca -0.04 -0.94 -0.22 0.00 -0.22 0.00 0.00 54.13 52.70 3hhq s LEU 9 Cb -0.15 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 3hhq s LEU 9 CO -0.04 -0.59 0.65 -0.54 -1.32 0.00 0.00 176.35 174.51 3hhq s LYS 10 N 1.91 4.35 -0.07 1.98 1.02 -0.44 -4.95 119.74 123.55 3hhq s LYS 10 Ca 0.08 0.74 0.05 0.00 0.02 0.00 0.00 55.97 56.85 3hhq s LYS 10 Cb -0.20 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 3hhq s LYS 10 CO 0.10 -0.02 -0.20 0.42 -0.92 0.00 0.00 175.35 174.73 3hhq s ILE 11 N 1.14 2.47 -0.12 2.17 -1.09 -1.26 -1.61 121.20 122.89 3hhq s ILE 11 Ca 0.33 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 3hhq s ILE 11 Cb -0.17 -1.94 0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3hhq s ILE 11 CO 0.14 0.57 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.68 3hhq s GLN 12 N -0.24 2.32 -0.29 2.79 0.74 0.11 -4.99 119.66 120.10 3hhq s GLN 12 Ca -0.00 -0.59 -0.10 0.00 0.05 0.00 0.00 55.36 54.71 3hhq s GLN 12 Cb -0.13 -1.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.96 3hhq s GLN 12 CO 0.03 -0.09 0.17 -0.51 -0.55 0.00 0.00 175.29 174.34 3hhq s LEU 13 N 1.06 4.03 0.04 3.68 1.43 -1.26 -0.58 118.68 127.08 3hhq s LEU 13 Ca -0.04 -0.25 0.23 0.00 -1.03 0.00 0.00 54.13 53.03 3hhq s LEU 13 Cb -0.15 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.06 3hhq s LEU 13 CO -0.03 -0.12 1.02 0.54 0.23 0.00 0.00 176.35 177.99 3hhq n ARG 14 N 5.02 0.24 -3.82 1.70 1.74 0.13 -4.95 116.66 116.73 3hhq n ARG 14 Ca -0.14 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.85 3hhq n ARG 14 Cb 0.51 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.76 -0.26 0.32 0.55 1.04 -1.25 -5.03 113.70 105.30 3hhq s SER 15 Ca 0.04 -0.58 0.20 0.00 0.48 0.00 0.00 55.95 56.09 3hhq s SER 15 Cb 0.15 0.66 1.07 0.00 0.10 0.00 0.00 66.02 68.00 3hhq s SER 15 CO 0.80 -1.22 1.58 0.00 0.98 0.00 0.00 173.24 175.39 3hhq n ALA 16 N -0.41 0.95 1.16 5.32 0.00 -1.26 -2.29 120.51 123.97 3hhq n ALA 16 Ca -0.06 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.70 3hhq n ALA 16 Cb 0.61 -1.19 0.61 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.21 0.12 -4.80 0.00 7.64 -1.26 -4.88 113.62 108.22 3hhq n SER 17 Ca -0.01 0.11 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 3hhq n SER 17 Cb 0.10 -0.30 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.83 2.72 -0.10 -0.43 0.00 -0.97 -4.37 121.76 115.79 3hhq s ALA 18 Ca 0.19 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3hhq s ALA 18 Cb 0.19 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3hhq s ALA 18 CO 0.53 -0.85 -0.19 0.99 0.00 0.00 0.00 175.76 176.24 3hhq s THR 19 N -2.45 1.76 0.13 0.00 2.01 -1.26 -5.04 115.64 110.78 3hhq s THR 19 Ca 0.64 -0.83 -0.33 0.00 0.31 0.00 0.00 61.69 61.48 3hhq s THR 19 Cb -0.16 -1.55 -0.13 0.00 0.01 0.00 0.00 72.50 70.67 3hhq s THR 19 CO 0.37 0.49 1.69 0.52 -0.69 0.00 0.00 174.62 177.00 3hhq n VAL 20 N 3.81 0.14 -1.73 3.82 0.31 -1.26 -4.73 118.33 118.70 3hhq n VAL 20 Ca -0.20 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 3hhq n VAL 20 Cb 0.52 -1.76 0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 4.32 2.07 -4.43 5.55 -0.02 -1.26 -5.00 135.00 136.22 3hhq n PRO 21 Ca 0.18 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 3hhq n PRO 21 Cb 0.31 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 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 -1.20 1.91 0.00 3.45 -4.23 -1.20 -4.85 115.64 109.52 3hhq s THR 22 Ca 0.62 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3hhq s THR 22 Cb -0.47 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3hhq s THR 22 CO 0.57 0.07 0.00 0.29 -0.54 0.00 0.00 174.62 175.01 3hhq n LYS 23 N 1.23 1.07 0.00 3.99 5.02 -1.26 0.31 118.16 128.51 3hhq n LYS 23 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3hhq n LYS 23 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3hhq n LYS 23 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hhq n SER 25 N -2.56 0.00 0.00 4.39 7.64 -1.26 -5.04 113.62 116.78 3hhq n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hhq n SER 25 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hhq n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhq n ALA 26 N -1.12 1.53 0.77 -0.43 0.00 -1.26 -4.69 120.51 115.32 3hhq n ALA 26 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3hhq n ALA 26 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 3hhq n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hhq n THR 27 N -1.26 0.00 -0.53 0.00 -2.24 -1.26 -5.02 114.28 103.97 3hhq n THR 27 Ca 0.00 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 3hhq n THR 27 Cb 0.14 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.33 -1.73 0.11 6.98 0.00 -1.26 -4.88 120.51 119.39 3hhq n ALA 28 Ca 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 3hhq n ALA 28 Cb 0.35 -0.61 0.11 0.00 0.00 0.00 0.00 19.45 19.29 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 0.37 0.83 -2.17 0.00 0.00 -1.96 -3.49 119.26 112.84 3hhq h ALA 29 Ca -0.11 -0.61 -0.44 0.00 0.00 0.00 0.00 54.91 53.75 3hhq h ALA 29 Cb 0.55 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 3hhq h ALA 29 CO 0.22 0.83 -0.70 0.20 0.00 0.00 0.00 179.25 179.79 3hhq s GLY 30 N -4.46 1.53 -0.18 0.00 0.00 -1.26 -4.42 107.32 98.52 3hhq s GLY 30 Ca -0.02 -1.73 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 3hhq s GLY 30 CO 0.79 -1.76 0.06 -0.19 0.00 0.00 0.00 173.10 172.00 3hhq s TYR 31 N -3.07 3.24 0.30 1.90 1.51 0.34 -4.63 117.35 116.94 3hhq s TYR 31 Ca 0.25 0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 56.07 3hhq s TYR 31 Cb 0.02 -2.08 -0.12 0.00 -0.11 0.00 0.00 41.96 39.67 3hhq s TYR 31 CO 0.08 0.15 1.57 -0.25 -1.11 0.00 0.00 175.55 175.98 3hhq n ASP 32 N 3.54 3.76 -4.28 2.29 8.00 0.15 -0.41 116.55 129.60 3hhq n ASP 32 Ca -0.17 1.15 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 3hhq n ASP 32 Cb 0.52 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.89 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 -0.13 2.76 -0.12 0.53 -1.09 -0.51 -3.22 121.20 119.42 3hhq s ILE 33 Ca 0.63 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 58.28 3hhq s ILE 33 Cb -0.51 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 3hhq s ILE 33 CO 0.50 0.51 0.01 -0.31 -1.23 0.00 0.00 174.94 174.42 3hhq s TYR 34 N 0.83 3.16 0.56 3.97 2.02 -1.26 -1.06 117.35 125.56 3hhq s TYR 34 Ca -0.05 0.06 -0.20 0.00 -0.37 0.00 0.00 57.07 56.51 3hhq s TYR 34 Cb -0.15 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3hhq s TYR 34 CO -0.00 0.29 1.28 0.00 -1.57 0.00 0.00 175.55 175.54 3hhq s ALA 35 N -0.33 2.69 -0.01 3.71 0.00 -0.24 -4.47 121.76 123.12 3hhq s ALA 35 Ca 0.07 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3hhq s ALA 35 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3hhq s ALA 35 CO 0.02 -1.24 0.54 -1.13 0.00 0.00 0.00 175.76 173.95 3hhq n SER 36 N -1.24 1.08 -3.71 0.00 3.41 -0.42 0.26 113.62 113.01 3hhq n SER 36 Ca 0.12 -1.08 -0.13 0.00 -0.26 0.00 0.00 58.87 57.51 3hhq n SER 36 Cb 0.47 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.08 0.58 0.43 4.33 2.00 -1.26 -4.80 119.66 120.85 3hhq s GLN 37 Ca 0.00 0.63 -0.26 0.00 -2.00 0.00 0.00 55.36 53.73 3hhq s GLN 37 Cb 0.00 0.28 -0.09 0.00 0.80 0.00 0.00 33.01 34.00 3hhq s GLN 37 CO 0.00 -0.08 1.42 -0.25 -0.50 0.00 0.00 175.29 175.89 3hhq n ASP 38 N 2.73 3.32 -3.53 6.67 9.92 -1.26 -4.31 116.55 130.09 3hhq n ASP 38 Ca -0.14 1.15 -0.17 0.00 -0.53 0.00 0.00 54.79 55.10 3hhq n ASP 38 Cb 0.57 -1.59 -0.06 0.00 -0.64 0.00 0.00 41.12 39.40 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 -1.17 0.00 -0.16 0.53 2.07 -0.05 -4.98 121.20 117.44 3hhq s ILE 39 Ca 0.59 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.82 3hhq s ILE 39 Cb -0.47 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.11 3hhq s ILE 39 CO 0.59 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.63 3hhq s THR 40 N -1.13 3.18 -0.31 4.00 2.01 -1.26 0.77 115.64 122.89 3hhq s THR 40 Ca -0.10 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 3hhq s THR 40 Cb -0.00 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.13 3hhq s THR 40 CO 0.09 0.50 0.73 -0.63 -0.69 0.00 0.00 174.62 174.62 3hhq s ILE 41 N 0.67 4.84 0.35 1.82 -1.09 0.36 -4.88 121.20 123.26 3hhq s ILE 41 Ca -0.05 1.04 -0.28 0.00 -2.23 0.00 0.00 60.65 59.13 3hhq s ILE 41 Cb -0.15 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.53 3hhq s ILE 41 CO 0.02 -0.23 1.29 -2.84 -1.23 0.00 0.00 174.94 171.95 3hhq s PRO 42 N 2.85 4.24 0.03 2.79 0.02 -1.26 -0.53 135.00 143.13 3hhq s PRO 42 Ca 0.30 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 63.21 3hhq s PRO 42 Cb -0.14 -2.96 -0.14 0.00 0.02 0.00 0.00 34.50 31.28 3hhq s PRO 42 CO 0.13 -0.27 0.69 0.00 -0.33 0.00 0.00 177.00 177.22 3hhq n ALA 43 N 0.58 -2.68 -1.38 -1.55 0.00 -1.26 -0.52 120.51 113.70 3hhq n ALA 43 Ca 0.01 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 3hhq n ALA 43 Cb 0.43 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 1.00 -1.32 0.00 0.00 2.81 -0.58 -4.86 117.12 114.17 3hhq n MET 44 Ca 0.14 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 3hhq n MET 44 Cb 0.08 -5.03 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 -0.23 5.57 3.37 3.03 0.00 0.32 -4.92 105.19 112.33 3hhq n GLY 45 Ca -0.13 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 3hhq n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hhq s GLN 46 N 1.69 1.22 0.18 1.61 -2.07 -1.26 -1.07 119.66 119.96 3hhq s GLN 46 Ca 0.00 -1.19 -0.23 0.00 -1.82 0.00 0.00 55.36 52.12 3hhq s GLN 46 Cb 0.00 0.39 0.06 0.00 -1.09 0.00 0.00 33.01 32.37 3hhq s GLN 46 CO 0.00 -0.46 0.66 0.20 -1.32 0.00 0.00 175.29 174.37 3hhq s GLY 47 N -2.98 -0.45 -0.24 2.60 0.00 -0.82 -4.47 107.32 100.95 3hhq s GLY 47 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3hhq s GLY 47 CO 0.02 0.10 -0.10 -0.29 0.00 0.00 0.00 173.10 172.83 3hhq s MET 48 N -3.75 2.66 -0.01 2.90 1.75 -1.26 -1.44 119.30 120.16 3hhq s MET 48 Ca 0.04 -1.08 -0.20 0.00 -1.25 0.00 0.00 55.69 53.20 3hhq s MET 48 Cb -0.02 -2.90 -0.05 0.00 2.84 0.00 0.00 34.83 34.70 3hhq s MET 48 CO -0.07 -0.43 0.57 0.08 -0.65 0.00 0.00 175.02 174.52 3hhq s VAL 49 N 1.25 4.92 0.50 10.11 1.01 0.86 -4.82 120.40 134.23 3hhq s VAL 49 Ca -0.02 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 3hhq s VAL 49 Cb -0.17 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3hhq s VAL 49 CO -0.06 0.43 1.03 -0.44 0.00 0.00 0.00 175.10 176.06 3hhq s SER 50 N -0.28 6.33 0.00 3.32 0.01 -1.26 -0.02 113.70 121.81 3hhq s SER 50 Ca 0.30 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.42 3hhq s SER 50 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3hhq s SER 50 CO 0.17 -0.79 0.00 0.35 0.41 0.00 0.00 173.24 173.38 3hhq n THR 51 N -1.15 0.00 -2.17 1.44 -2.24 -1.26 -1.30 114.28 107.61 3hhq n THR 51 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 3hhq n THR 51 Cb 0.53 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.76 -4.60 -4.38 3.42 8.00 -1.26 -4.32 116.55 112.64 3hhq n ASP 52 Ca 0.00 0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.45 3hhq n ASP 52 Cb 0.05 -3.95 -0.11 0.00 -0.02 0.00 0.00 41.12 37.09 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 -2.68 2.07 0.14 0.53 -4.36 -1.26 0.20 121.20 115.84 3hhq s ILE 53 Ca 0.00 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.38 3hhq s ILE 53 Cb 0.00 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3hhq s ILE 53 CO 0.00 -0.31 -0.16 -0.44 0.24 0.00 0.00 174.94 174.27 3hhq s SER 54 N -2.90 2.27 0.04 4.36 0.01 0.26 -0.82 113.70 116.91 3hhq s SER 54 Ca 0.20 -0.84 -0.07 0.00 1.31 0.00 0.00 55.95 56.56 3hhq s SER 54 Cb -0.06 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3hhq s SER 54 CO 0.09 -0.11 0.13 0.72 0.41 0.00 0.00 173.24 174.48 3hhq s PHE 55 N -2.15 0.16 -0.24 2.43 -0.71 -1.26 0.07 117.98 116.28 3hhq s PHE 55 Ca 0.12 -0.45 -0.03 0.00 -1.04 0.00 0.00 56.93 55.53 3hhq s PHE 55 Cb -0.05 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 3hhq s PHE 55 CO 0.04 -0.40 -0.05 0.99 -1.34 0.00 0.00 175.22 174.47 3hhq s THR 56 N -2.69 3.16 0.63 -4.49 2.01 -0.63 -4.75 115.64 108.88 3hhq s THR 56 Ca -0.04 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 3hhq s THR 56 Cb -0.01 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3hhq s THR 56 CO -0.05 0.31 1.04 0.68 -0.69 0.00 0.00 174.62 175.91 3hhq s VAL 57 N 1.41 4.54 0.58 3.82 -7.23 -1.26 -1.33 120.40 120.93 3hhq s VAL 57 Ca 0.03 0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 60.84 3hhq s VAL 57 Cb -0.15 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 32.91 3hhq s VAL 57 CO -0.04 -1.08 0.84 -2.65 -0.31 0.00 0.00 175.10 171.86 3hhq n PRO 58 N -2.79 0.82 -1.61 4.82 -0.02 -1.23 -4.91 135.00 130.09 3hhq n PRO 58 Ca 0.06 0.31 -0.50 0.00 -2.02 0.00 0.00 63.50 61.35 3hhq n PRO 58 Cb 0.54 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 3hhq n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhq n VAL 59 N -1.61 0.12 -0.40 -1.45 0.31 -1.26 -2.47 118.33 111.57 3hhq n VAL 59 Ca 0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3hhq n VAL 59 Cb 0.47 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 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 2.65 0.77 3.26 2.92 0.00 -1.26 -5.05 105.19 108.48 3hhq n GLY 60 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.24 0.73 0.42 2.61 -4.23 -1.03 -1.25 115.64 110.66 3hhq s THR 61 Ca 0.00 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3hhq s THR 61 Cb 0.00 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3hhq s THR 61 CO 0.00 -0.41 0.05 -0.72 -0.54 0.00 0.00 174.62 173.00 3hhq s TYR 62 N -3.62 1.99 -0.39 3.99 1.13 -0.88 -4.59 117.35 114.97 3hhq s TYR 62 Ca 0.26 -1.00 -0.14 0.00 -1.41 0.00 0.00 57.07 54.78 3hhq s TYR 62 Cb 0.06 -1.45 0.01 0.00 -1.10 0.00 0.00 41.96 39.49 3hhq s TYR 62 CO 0.06 0.08 0.27 0.20 -2.51 0.00 0.00 175.55 173.65 3hhq s GLY 63 N -3.69 1.99 -0.28 5.49 0.00 0.16 -2.20 107.32 108.78 3hhq s GLY 63 Ca 0.23 -1.65 -0.13 0.00 0.00 0.00 0.00 44.72 43.16 3hhq s GLY 63 CO 0.12 0.88 0.29 -1.60 0.00 0.00 0.00 173.10 172.78 3hhq s ARG 64 N 1.67 3.94 -0.78 2.90 3.52 -0.20 0.13 118.95 130.13 3hhq s ARG 64 Ca 0.05 -0.17 -0.24 0.00 -0.13 0.00 0.00 55.73 55.24 3hhq s ARG 64 Cb -0.19 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.59 3hhq s ARG 64 CO 0.10 -0.26 1.18 0.42 -0.81 0.00 0.00 175.30 175.92 3hhq s ILE 65 N 1.92 4.08 0.21 4.11 -1.09 0.15 -1.03 121.20 129.54 3hhq s ILE 65 Ca 0.11 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 3hhq s ILE 65 Cb -0.16 -4.84 -0.04 0.00 -1.58 0.00 0.00 42.46 35.84 3hhq s ILE 65 CO 0.11 -1.69 0.09 0.00 -1.23 0.00 0.00 174.94 172.21 3hhq s ALA 66 N 4.68 3.39 0.41 9.38 0.00 0.17 -4.62 121.76 135.17 3hhq s ALA 66 Ca 0.32 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.64 3hhq s ALA 66 Cb -0.09 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 3hhq s ALA 66 CO 0.06 0.38 1.12 -1.25 0.00 0.00 0.00 175.76 176.08 3hhq s PRO 67 N -3.37 4.06 0.13 0.00 0.04 -1.26 -1.34 135.00 133.25 3hhq s PRO 67 Ca 0.31 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 3hhq s PRO 67 Cb -0.09 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 3hhq s PRO 67 CO 0.22 -0.28 1.51 1.03 0.04 0.00 0.00 177.00 179.51 3hhq s ARG 68 N -2.41 4.25 0.20 4.56 0.52 -1.26 -4.66 118.95 120.15 3hhq s ARG 68 Ca 0.58 2.24 -0.11 0.00 -0.52 0.00 0.00 55.73 57.92 3hhq s ARG 68 Cb -0.27 -3.26 0.16 0.00 0.52 0.00 0.00 34.95 32.10 3hhq s ARG 68 CO 0.34 -0.56 1.85 0.77 0.02 0.00 0.00 175.30 177.71 3hhq h SER 69 N 7.03 0.70 -0.73 0.23 0.02 -1.96 -2.83 113.55 116.01 3hhq h SER 69 Ca -0.42 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.58 3hhq h SER 69 Cb 1.20 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 3hhq h SER 69 CO 0.90 0.49 0.43 1.23 -1.14 0.00 0.00 176.83 178.73 3hhq h GLY 70 N 0.83 1.08 2.00 -3.77 0.00 -1.99 -2.20 103.07 99.02 3hhq h GLY 70 Ca 0.26 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3hhq h GLY 70 CO -0.10 0.19 -0.57 1.41 0.00 0.00 0.00 176.54 177.48 3hhq h LEU 71 N 0.78 0.00 0.22 3.11 3.38 -1.90 0.38 115.31 121.28 3hhq h LEU 71 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hhq h LEU 71 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hhq h LEU 71 CO -0.18 0.57 -0.11 0.00 0.09 0.00 0.00 178.44 178.81 3hhq h ALA 72 N 1.43 -0.30 -0.25 1.53 0.00 -1.24 0.13 119.26 120.56 3hhq h ALA 72 Ca -0.01 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3hhq h ALA 72 Cb 1.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hhq h ALA 72 CO 0.07 -0.53 -0.55 0.28 0.00 0.00 0.00 179.25 178.53 3hhq h VAL 73 N -0.58 1.29 0.17 0.00 2.07 -1.19 -1.22 116.25 116.78 3hhq h VAL 73 Ca -0.03 -1.74 -0.34 0.00 0.82 0.00 0.00 66.70 65.41 3hhq h VAL 73 Cb 0.43 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hhq h VAL 73 CO 0.05 0.56 -1.69 0.11 0.02 0.00 0.00 177.57 176.62 3hhq h LYS 74 N 0.57 0.35 0.00 1.57 1.57 -0.29 -3.41 116.57 116.93 3hhq h LYS 74 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3hhq h LYS 74 Cb 1.16 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3hhq h LYS 74 CO 0.12 1.25 0.00 0.09 -0.57 0.00 0.00 179.45 180.34 3hhq n ASN 75 N -3.54 1.18 -1.57 0.86 3.02 0.36 -5.01 115.26 110.56 3hhq n ASN 75 Ca -0.22 -1.33 -0.14 0.00 -0.03 0.00 0.00 54.58 52.86 3hhq n ASN 75 Cb 1.07 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.23 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 -0.16 -0.14 3.77 7.41 0.00 -0.46 -4.26 105.19 111.36 3hhq n GLY 76 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.69 5.26 -0.04 -0.61 -1.09 -0.94 -0.22 121.20 120.88 3hhq s ILE 77 Ca 0.00 0.60 0.03 0.00 -2.23 0.00 0.00 60.65 59.05 3hhq s ILE 77 Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 3hhq s ILE 77 CO 0.00 0.46 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.46 3hhq s GLN 78 N -0.10 1.39 0.20 2.79 2.00 -0.40 -3.74 119.66 121.80 3hhq s GLN 78 Ca 0.19 -0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 3hhq s GLN 78 Cb -0.14 -1.23 -0.09 0.00 0.80 0.00 0.00 33.01 32.35 3hhq s GLN 78 CO 0.07 0.16 1.29 0.95 -0.50 0.00 0.00 175.29 177.26 3hhq s THR 79 N 0.19 3.23 0.58 -0.34 -4.23 -1.26 -0.23 115.64 113.57 3hhq s THR 79 Ca -0.05 1.02 0.10 0.00 -1.18 0.00 0.00 61.69 61.58 3hhq s THR 79 Cb -0.11 -3.65 0.09 0.00 1.34 0.00 0.00 72.50 70.17 3hhq s THR 79 CO 0.02 0.16 0.79 -0.83 -0.54 0.00 0.00 174.62 174.21 3hhq s GLY 80 N 0.26 1.74 0.00 3.99 0.00 -0.01 -4.85 107.32 108.45 3hhq s GLY 80 Ca 0.56 -2.13 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3hhq s GLY 80 CO 0.39 -1.70 0.00 0.00 0.00 0.00 0.00 173.10 171.79 3hhq n ALA 81 N -2.24 0.00 0.00 3.20 0.00 -1.26 -4.34 120.51 115.88 3hhq n ALA 81 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3hhq n ALA 81 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 2.99 3.54 0.00 0.00 -1.26 -4.92 105.19 105.54 3hhq n GLY 82 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.83 3.99 -0.49 1.61 1.01 -1.26 -0.68 120.40 121.75 3hhq s VAL 83 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 3hhq s VAL 83 Cb 0.00 -4.99 0.03 0.00 0.00 0.00 0.00 36.38 31.42 3hhq s VAL 83 CO 0.00 -1.86 0.89 -0.69 0.00 0.00 0.00 175.10 173.44 3hhq s VAL 84 N 4.82 4.49 0.72 2.92 1.01 0.12 -4.96 120.40 129.52 3hhq s VAL 84 Ca 0.42 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 3hhq s VAL 84 Cb -0.02 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.95 3hhq s VAL 84 CO -0.05 -0.90 1.11 -1.81 0.00 0.00 0.00 175.10 173.46 3hhq s ASP 85 N 2.42 4.68 0.49 3.32 1.11 -1.26 -0.67 116.67 126.76 3hhq s ASP 85 Ca 0.33 1.97 0.21 0.00 0.18 0.00 0.00 52.55 55.24 3hhq s ASP 85 Cb -0.11 -2.54 1.28 0.00 1.07 0.00 0.00 42.92 42.61 3hhq s ASP 85 CO 0.23 -1.92 2.06 -0.09 1.18 0.00 0.00 175.17 176.63 3hhq h ARG 86 N -0.56 0.00 -0.22 8.23 2.43 -1.92 -2.07 114.38 120.27 3hhq h ARG 86 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3hhq h ARG 86 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3hhq h ARG 86 CO 0.52 0.13 0.00 -0.40 -1.51 0.00 0.00 179.97 178.71 3hhq n ASP 87 N -4.00 2.48 -4.68 -3.80 3.85 -1.26 -4.53 116.55 104.61 3hhq n ASP 87 Ca -0.02 -1.83 -0.42 0.00 -0.71 0.00 0.00 54.79 51.80 3hhq n ASP 87 Cb 0.22 -0.14 -0.03 0.00 -1.35 0.00 0.00 41.12 39.83 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 -1.73 3.06 0.00 2.11 5.04 -0.78 -4.91 117.35 120.15 3hhq s TYR 88 Ca 0.35 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 3hhq s TYR 88 Cb 0.20 -3.48 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3hhq s TYR 88 CO 0.29 -1.60 0.72 0.25 -1.34 0.00 0.00 175.55 173.87 3hhq n THR 89 N 4.75 0.49 -1.43 4.34 -2.24 -1.26 -4.59 114.28 114.34 3hhq n THR 89 Ca 0.12 -0.69 -0.18 0.00 -2.27 0.00 0.00 64.05 61.03 3hhq n THR 89 Cb 0.45 0.80 0.13 0.00 -2.10 0.00 0.00 70.33 69.62 3hhq n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhq n GLY 90 N -0.24 -1.59 3.72 3.38 0.00 -1.26 -4.90 105.19 104.30 3hhq n GLY 90 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3hhq n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hhq s GLU 91 N -4.71 4.42 -0.65 1.61 2.12 -1.26 -4.47 118.70 115.76 3hhq s GLU 91 Ca 0.45 1.90 -0.26 0.00 0.36 0.00 0.00 54.97 57.42 3hhq s GLU 91 Cb -0.02 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 31.14 3hhq s GLU 91 CO 0.32 -0.23 1.15 0.08 -0.54 0.00 0.00 175.26 176.04 3hhq s VAL 92 N 0.58 4.01 0.06 3.70 1.01 -0.00 -5.00 120.40 124.76 3hhq s VAL 92 Ca 0.58 0.43 0.01 0.00 0.00 0.00 0.00 61.98 63.00 3hhq s VAL 92 Cb -0.33 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 3hhq s VAL 92 CO 0.33 -1.51 0.14 -0.54 0.00 0.00 0.00 175.10 173.51 3hhq s LYS 93 N 4.95 3.15 -0.22 2.72 1.02 -1.26 -4.21 119.74 125.89 3hhq s LYS 93 Ca 0.35 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.73 3hhq s LYS 93 Cb -0.10 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3hhq s LYS 93 CO 0.18 0.59 0.00 0.08 -0.92 0.00 0.00 175.35 175.29 3hhq s VAL 94 N -1.43 3.81 0.06 3.17 1.01 0.98 -4.87 120.40 123.12 3hhq s VAL 94 Ca 0.31 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3hhq s VAL 94 Cb -0.13 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 3hhq s VAL 94 CO 0.24 0.40 0.61 -0.69 0.00 0.00 0.00 175.10 175.65 3hhq s VAL 95 N 1.40 4.75 -0.05 2.92 1.01 -1.26 -0.10 120.40 129.07 3hhq s VAL 95 Ca 0.05 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.33 3hhq s VAL 95 Cb -0.15 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3hhq s VAL 95 CO 0.00 0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 3hhq s LEU 96 N -0.78 1.18 -0.07 3.92 1.43 -0.52 -0.83 118.68 123.01 3hhq s LEU 96 Ca 0.31 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3hhq s LEU 96 Cb -0.19 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3hhq s LEU 96 CO 0.19 -0.09 0.22 -0.36 0.23 0.00 0.00 176.35 176.55 3hhq s PHE 97 N 1.12 3.62 -0.29 0.29 0.40 0.68 -1.95 117.98 121.86 3hhq s PHE 97 Ca -0.08 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 56.86 3hhq s PHE 97 Cb -0.14 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.41 3hhq s PHE 97 CO -0.01 0.70 -0.01 1.21 0.70 0.00 0.00 175.22 177.80 3hhq s ASN 98 N -1.19 4.77 0.00 1.36 3.84 -0.23 -1.27 114.94 122.22 3hhq s ASN 98 Ca 0.19 -1.16 0.23 0.00 0.21 0.00 0.00 52.86 52.34 3hhq s ASN 98 Cb -0.13 -1.71 0.45 0.00 -0.55 0.00 0.00 41.25 39.31 3hhq s ASN 98 CO 0.09 -0.23 1.41 1.41 -2.79 0.00 0.00 177.10 176.99 3hhq n HIS 99 N 4.64 0.43 -2.33 0.43 8.25 0.70 -2.17 115.22 125.17 3hhq n HIS 99 Ca -0.14 -0.21 -0.25 0.00 -0.26 0.00 0.00 57.72 56.86 3hhq n HIS 99 Cb 0.44 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.54 4.59 0.00 0.41 1.04 -1.26 -4.78 113.70 112.16 3hhq s SER 100 Ca 0.37 0.17 0.17 0.00 0.48 0.00 0.00 55.95 57.14 3hhq s SER 100 Cb 0.22 -0.72 0.54 0.00 0.10 0.00 0.00 66.02 66.15 3hhq s SER 100 CO 0.31 -1.71 1.42 0.00 0.98 0.00 0.00 173.24 174.24 3hhq n GLN 101 N -2.90 1.88 -4.64 4.02 1.13 -1.26 -1.53 117.38 114.08 3hhq n GLN 101 Ca 0.10 -1.34 -0.27 0.00 -1.94 0.00 0.00 57.00 53.55 3hhq n GLN 101 Cb 0.60 -1.36 -0.17 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.62 2.14 0.43 -1.09 0.52 -1.26 -4.87 118.95 113.20 3hhq s ARG 102 Ca 0.30 -0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 54.72 3hhq s ARG 102 Cb 0.16 -1.76 -0.10 0.00 0.52 0.00 0.00 34.95 33.77 3hhq s ARG 102 CO 0.23 0.02 1.03 -0.25 0.02 0.00 0.00 175.30 176.34 3hhq n ASP 103 N 3.93 1.35 -4.17 0.23 10.43 -1.26 -4.10 116.55 122.96 3hhq n ASP 103 Ca -0.20 1.03 -0.36 0.00 2.57 0.00 0.00 54.79 57.83 3hhq n ASP 103 Cb 0.52 -1.37 -0.12 0.00 1.84 0.00 0.00 41.12 41.99 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 -1.28 3.42 -0.07 1.24 5.99 0.31 -4.86 117.98 122.74 3hhq s PHE 104 Ca 0.63 -2.06 -0.27 0.00 0.00 0.00 0.00 56.93 55.23 3hhq s PHE 104 Cb -0.55 -2.71 -0.03 0.00 0.00 0.00 0.00 43.02 39.74 3hhq s PHE 104 CO 0.57 -0.88 0.89 0.00 -0.00 0.00 0.00 175.22 175.80 3hhq s ALA 105 N 1.23 3.32 -0.07 11.12 0.00 -1.26 -0.49 121.76 135.60 3hhq s ALA 105 Ca 0.02 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.35 3hhq s ALA 105 Cb -0.21 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3hhq s ALA 105 CO -0.02 -0.35 -0.24 0.42 0.00 0.00 0.00 175.76 175.57 3hhq s ILE 106 N 1.36 2.01 0.11 0.00 1.01 0.23 -4.98 121.20 120.93 3hhq s ILE 106 Ca 0.45 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 60.15 3hhq s ILE 106 Cb -0.19 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3hhq s ILE 106 CO 0.21 0.55 -0.11 -0.54 0.00 0.00 0.00 174.94 175.05 3hhq s LYS 107 N 0.03 2.07 0.11 2.79 1.02 -1.26 -0.87 119.74 123.63 3hhq s LYS 107 Ca -0.09 -1.05 -0.34 0.00 0.02 0.00 0.00 55.97 54.50 3hhq s LYS 107 Cb -0.15 -2.27 -0.18 0.00 -0.52 0.00 0.00 37.83 34.71 3hhq s LYS 107 CO 0.05 0.50 0.98 1.17 -0.92 0.00 0.00 175.35 177.14 3hhq n LYS 108 N 0.73 0.47 -0.42 1.68 4.81 -1.26 -1.38 118.16 122.78 3hhq n LYS 108 Ca -0.14 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3hhq n LYS 108 Cb 0.52 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.02 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 1.85 1.04 3.78 3.14 0.00 0.14 -4.98 105.19 110.16 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 -3.04 7.07 0.06 1.61 1.01 -0.48 -4.78 116.67 118.12 3hhq s ASP 110 Ca 0.00 1.97 -0.31 0.00 0.71 0.00 0.00 52.55 54.92 3hhq s ASP 110 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 3hhq s ASP 110 CO 0.00 -0.27 1.31 -0.13 0.21 0.00 0.00 175.17 176.29 3hhq s ARG 111 N -2.20 4.36 0.00 8.23 0.52 -1.26 -1.08 118.95 127.51 3hhq s ARG 111 Ca 0.53 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 3hhq s ARG 111 Cb -0.21 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.89 3hhq s ARG 111 CO 0.27 -0.40 0.00 1.33 0.02 0.00 0.00 175.30 176.52 3hhq n VAL 112 N 4.12 0.00 -3.83 3.52 0.24 -0.23 -4.93 118.33 117.22 3hhq n VAL 112 Ca 0.11 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.27 3hhq n VAL 112 Cb 0.44 0.53 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.59 -1.13 0.06 2.33 0.00 -1.16 -4.65 121.76 115.61 3hhq s ALA 113 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.64 3hhq s ALA 113 Cb 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3hhq s ALA 113 CO 0.00 -1.03 -0.23 1.14 0.00 0.00 0.00 175.76 175.64 3hhq s GLN 114 N -3.29 1.49 -0.26 0.00 -2.07 -0.45 -1.43 119.66 113.66 3hhq s GLN 114 Ca 0.13 -1.06 -0.12 0.00 -1.82 0.00 0.00 55.36 52.48 3hhq s GLN 114 Cb -0.05 -1.69 -0.05 0.00 -1.09 0.00 0.00 33.01 30.14 3hhq s GLN 114 CO 0.08 0.43 0.25 -1.17 -1.32 0.00 0.00 175.29 173.55 3hhq s LEU 115 N -1.37 4.05 -0.16 2.60 2.96 0.45 -0.66 118.68 126.56 3hhq s LEU 115 Ca 0.09 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3hhq s LEU 115 Cb -0.09 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 3hhq s LEU 115 CO 0.03 -0.06 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.27 3hhq s ILE 116 N 1.66 3.23 -1.00 6.68 1.01 -0.20 -0.51 121.20 132.07 3hhq s ILE 116 Ca 0.10 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 3hhq s ILE 116 Cb -0.15 -2.40 0.12 0.00 0.01 0.00 0.00 42.46 40.03 3hhq s ILE 116 CO 0.09 0.49 1.25 -0.76 0.00 0.00 0.00 174.94 176.01 3hhq s LEU 117 N 0.75 4.76 -0.11 2.97 1.43 -1.26 -1.03 118.68 126.20 3hhq s LEU 117 Ca -0.04 -2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 50.64 3hhq s LEU 117 Cb -0.15 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3hhq s LEU 117 CO 0.02 -1.09 1.27 -1.61 0.23 0.00 0.00 176.35 175.17 3hhq s GLU 118 N 2.93 4.28 0.17 1.70 0.41 -0.93 -4.90 118.70 122.36 3hhq s GLU 118 Ca 0.37 1.71 -0.30 0.00 -0.41 0.00 0.00 54.97 56.34 3hhq s GLU 118 Cb -0.03 -3.68 -0.08 0.00 -1.78 0.00 0.00 34.13 28.55 3hhq s GLU 118 CO -0.07 -0.61 1.23 0.15 -0.49 0.00 0.00 175.26 175.46 3hhq s LYS 119 N 2.96 4.46 0.06 1.61 1.02 -1.26 -2.07 119.74 126.52 3hhq s LYS 119 Ca 0.57 1.91 -0.06 0.00 0.02 0.00 0.00 55.97 58.40 3hhq s LYS 119 Cb -0.24 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3hhq s LYS 119 CO 0.19 -0.15 0.11 0.96 -0.92 0.00 0.00 175.35 175.55 3hhq s ILE 120 N 0.12 0.15 -0.39 2.17 -4.36 -0.38 -4.98 121.20 113.53 3hhq s ILE 120 Ca 0.54 -1.24 -0.24 0.00 -0.26 0.00 0.00 60.65 59.45 3hhq s ILE 120 Cb -0.33 -1.18 0.01 0.00 1.25 0.00 0.00 42.46 42.22 3hhq s ILE 120 CO 0.36 -0.69 0.82 -0.69 0.24 0.00 0.00 174.94 174.98 3hhq s VAL 121 N -3.31 4.67 -1.49 8.37 1.01 -1.26 -4.67 120.40 123.72 3hhq s VAL 121 Ca 0.01 0.83 0.13 0.00 0.00 0.00 0.00 61.98 62.94 3hhq s VAL 121 Cb 0.03 -4.27 0.17 0.00 0.00 0.00 0.00 36.38 32.31 3hhq s VAL 121 CO -0.08 -0.54 1.02 -0.90 0.00 0.00 0.00 175.10 174.60 3hhq n ASP 122 N 6.60 2.37 -0.58 3.32 3.85 -1.26 -4.57 116.55 126.27 3hhq n ASP 122 Ca 0.04 -1.67 0.06 0.00 -0.71 0.00 0.00 54.79 52.51 3hhq n ASP 122 Cb 0.48 -0.07 0.12 0.00 -1.35 0.00 0.00 41.12 40.30 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 0.73 1.51 -4.75 -1.12 3.85 -1.26 -5.06 116.55 110.44 3hhq n ASP 123 Ca 0.09 -3.01 -0.41 0.00 -0.71 0.00 0.00 54.79 50.75 3hhq n ASP 123 Cb 0.36 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.71 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 -2.03 3.62 -0.08 2.12 0.00 -1.26 -4.99 121.76 119.14 3hhq s ALA 124 Ca 0.29 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.29 3hhq s ALA 124 Cb 0.29 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3hhq s ALA 124 CO -0.05 -0.73 0.93 1.14 0.00 0.00 0.00 175.76 177.05 3hhq s GLN 125 N -0.46 4.44 -0.10 0.00 -2.07 -1.26 -5.01 119.66 115.20 3hhq s GLN 125 Ca 0.59 1.27 -0.30 0.00 -1.82 0.00 0.00 55.36 55.10 3hhq s GLN 125 Cb -0.42 -3.51 -0.03 0.00 -1.09 0.00 0.00 33.01 27.96 3hhq s GLN 125 CO 0.44 -0.20 1.35 0.42 -1.32 0.00 0.00 175.29 175.98 3hhq s ILE 126 N 1.61 4.06 -0.06 3.63 1.01 -1.26 -5.02 121.20 125.17 3hhq s ILE 126 Ca 0.46 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.45 3hhq s ILE 126 Cb -0.19 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3hhq s ILE 126 CO 0.20 -0.08 -0.10 -0.69 0.00 0.00 0.00 174.94 174.27 3hhq s VAL 127 N 3.24 0.96 -0.21 2.92 1.01 -1.26 -5.13 120.40 121.93 3hhq s VAL 127 Ca 0.60 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3hhq s VAL 127 Cb -0.26 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hhq s VAL 127 CO 0.20 0.32 0.40 -0.69 0.00 0.00 0.00 175.10 175.33 3hhq s VAL 128 N 0.77 5.19 0.36 2.92 1.01 -1.26 -5.09 120.40 124.30 3hhq s VAL 128 Ca -0.13 0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3hhq s VAL 128 Cb -0.15 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 3hhq s VAL 128 CO 0.02 0.23 -0.05 0.68 0.00 0.00 0.00 175.10 175.99 3hhq s VAL 129 N 1.44 2.23 0.04 2.92 -7.23 -1.26 -5.06 120.40 113.48 3hhq s VAL 129 Ca 0.19 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 3hhq s VAL 129 Cb -0.15 -2.76 -0.24 0.00 0.56 0.00 0.00 36.38 33.79 3hhq s VAL 129 CO 0.08 -0.15 1.14 0.44 -0.31 0.00 0.00 175.10 176.30 3hhq h ASP 130 N 1.91 0.73 -3.37 4.85 3.32 -1.98 -3.45 116.42 118.43 3hhq h ASP 130 Ca -0.43 -0.76 -0.14 0.00 0.02 0.00 0.00 57.03 55.72 3hhq h ASP 130 Cb 1.25 -0.22 -0.27 0.00 0.22 0.00 0.00 39.33 40.30 3hhq h ASP 130 CO 0.73 1.40 -0.36 -0.55 -1.72 0.00 0.00 179.24 178.73 3hhq s SER 131 N -7.05 -0.41 0.13 6.45 0.15 -1.26 -5.05 113.70 106.66 3hhq s SER 131 Ca -0.11 0.74 -0.09 0.00 0.70 0.00 0.00 55.95 57.19 3hhq s SER 131 Cb 0.05 0.64 -0.08 0.00 -1.71 0.00 0.00 66.02 64.92 3hhq s SER 131 CO 0.88 -0.17 1.35 -0.07 1.20 0.00 0.00 173.24 176.43 3hhq h LEU 132 N 6.89 0.81 -1.15 3.45 3.38 -2.05 -3.22 115.31 123.42 3hhq h LEU 132 Ca -0.36 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.00 3hhq h LEU 132 Cb 1.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3hhq h LEU 132 CO 0.32 1.30 -0.39 1.05 0.09 0.00 0.00 178.44 180.81 3hhq h GLU 133 N 0.47 0.06 -0.02 1.13 4.11 -2.02 -3.54 114.58 114.77 3hhq h GLU 133 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3hhq h GLU 133 Cb 1.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3hhq h GLU 133 CO 0.15 0.45 0.00 -1.91 0.07 0.00 0.00 179.01 177.77