#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 0.75 -0.33 0.58 1.01 -1.26 -5.09 120.40 116.06 3hhq s VAL 8 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 3hhq s VAL 8 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3hhq s VAL 8 CO 0.00 0.23 0.14 -0.22 0.00 0.00 0.00 175.10 175.25 3hhq s LEU 9 N 0.10 4.26 -0.15 3.92 2.96 -1.26 -3.63 118.68 124.89 3hhq s LEU 9 Ca -0.02 -0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 52.82 3hhq s LEU 9 Cb -0.07 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3hhq s LEU 9 CO 0.00 -0.28 0.71 -0.54 -1.32 0.00 0.00 176.35 174.93 3hhq s LYS 10 N 1.52 4.31 -0.11 1.98 1.02 -0.76 -4.96 119.74 122.73 3hhq s LYS 10 Ca 0.02 0.82 0.03 0.00 0.02 0.00 0.00 55.97 56.86 3hhq s LYS 10 Cb -0.18 -3.54 -0.00 0.00 -0.52 0.00 0.00 37.83 33.59 3hhq s LYS 10 CO 0.05 -0.18 -0.21 0.42 -0.92 0.00 0.00 175.35 174.51 3hhq s ILE 11 N 1.66 2.29 -0.19 2.17 -1.09 -1.26 -1.05 121.20 123.73 3hhq s ILE 11 Ca 0.34 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 3hhq s ILE 11 Cb -0.17 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.80 3hhq s ILE 11 CO 0.13 0.55 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.75 3hhq s GLN 12 N 0.43 3.45 -0.19 2.79 0.74 0.67 -5.00 119.66 122.54 3hhq s GLN 12 Ca -0.15 -0.61 -0.15 0.00 0.05 0.00 0.00 55.36 54.49 3hhq s GLN 12 Cb -0.17 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 3hhq s GLN 12 CO 0.07 -0.02 0.37 -0.51 -0.55 0.00 0.00 175.29 174.65 3hhq s LEU 13 N 1.01 4.19 0.00 3.68 1.43 -1.26 -1.89 118.68 125.83 3hhq s LEU 13 Ca 0.00 0.52 0.17 0.00 -1.03 0.00 0.00 54.13 53.79 3hhq s LEU 13 Cb -0.15 -2.48 0.18 0.00 0.03 0.00 0.00 46.19 43.78 3hhq s LEU 13 CO 0.00 -0.02 1.09 0.54 0.23 0.00 0.00 176.35 178.20 3hhq n ARG 14 N 4.17 1.59 -3.74 1.70 1.74 0.35 -4.99 116.66 117.48 3hhq n ARG 14 Ca -0.09 -1.64 -0.09 0.00 -0.77 0.00 0.00 57.85 55.25 3hhq n ARG 14 Cb 0.51 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.38 -0.31 0.19 0.55 1.04 -1.25 -5.02 113.70 107.52 3hhq s SER 15 Ca 0.22 -0.46 0.18 0.00 0.48 0.00 0.00 55.95 56.37 3hhq s SER 15 Cb 0.15 0.64 0.83 0.00 0.10 0.00 0.00 66.02 67.73 3hhq s SER 15 CO 0.22 -1.15 1.55 0.00 0.98 0.00 0.00 173.24 174.84 3hhq n ALA 16 N -0.39 1.39 1.46 5.32 0.00 -1.26 -2.77 120.51 124.26 3hhq n ALA 16 Ca -0.09 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3hhq n ALA 16 Cb 0.62 -1.28 0.56 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.00 0.92 -4.85 0.00 7.64 -1.26 -4.95 113.62 109.13 3hhq n SER 17 Ca 0.01 -1.03 -0.35 0.00 1.01 0.00 0.00 58.87 58.51 3hhq n SER 17 Cb 0.13 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.26 3.55 -0.11 -0.43 0.00 -1.11 -4.39 121.76 117.00 3hhq s ALA 18 Ca 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3hhq s ALA 18 Cb 0.20 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 3hhq s ALA 18 CO 0.43 0.45 -0.17 0.99 0.00 0.00 0.00 175.76 177.45 3hhq s THR 19 N -1.54 2.67 -0.05 0.00 2.01 -1.26 -5.01 115.64 112.46 3hhq s THR 19 Ca 0.40 -0.80 -0.37 0.00 0.31 0.00 0.00 61.69 61.23 3hhq s THR 19 Cb -0.14 -2.08 -0.15 0.00 0.01 0.00 0.00 72.50 70.13 3hhq s THR 19 CO 0.19 0.54 1.64 0.52 -0.69 0.00 0.00 174.62 176.82 3hhq n VAL 20 N 3.46 0.23 -1.67 3.82 0.31 -1.26 -4.71 118.33 118.51 3hhq n VAL 20 Ca -0.18 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 63.67 3hhq n VAL 20 Cb 0.53 -1.33 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 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 4.54 1.94 -4.36 5.55 -0.02 -1.26 -4.98 135.00 136.42 3hhq n PRO 21 Ca 0.22 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 62.12 3hhq n PRO 21 Cb 0.21 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.32 3hhq n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhq s THR 22 N -0.77 2.04 0.06 3.45 -4.23 -1.21 -4.84 115.64 110.14 3hhq s THR 22 Ca 0.60 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3hhq s THR 22 Cb -0.62 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 3hhq s THR 22 CO 0.58 -0.09 0.07 -0.75 -0.54 0.00 0.00 174.62 173.89 3hhq s LYS 23 N -2.32 0.69 0.24 3.99 2.20 -1.26 -0.77 119.74 122.51 3hhq s LYS 23 Ca 0.14 -1.06 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 3hhq s LYS 23 Cb -0.09 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3hhq s LYS 23 CO 0.07 -0.17 -0.12 -1.13 -0.36 0.00 0.00 175.35 173.63 3hhq n SER 25 N 0.14 -1.58 0.02 1.43 3.41 -1.26 -5.05 113.62 110.72 3hhq n SER 25 Ca -0.15 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 3hhq n SER 25 Cb 0.61 -0.29 0.32 0.00 -0.26 0.00 0.00 64.21 64.59 3hhq n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhq n ALA 26 N -0.65 1.64 -0.07 7.33 0.00 -1.26 -3.10 120.51 124.40 3hhq n ALA 26 Ca 0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 3hhq n ALA 26 Cb 0.18 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 3hhq n ALA 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hhq n THR 27 N -1.60 1.56 -1.20 0.00 -1.04 -1.26 -4.98 114.28 105.76 3hhq n THR 27 Ca 0.03 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.05 60.93 3hhq n THR 27 Cb 0.17 -1.18 -0.02 0.00 -1.82 0.00 0.00 70.33 67.48 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hhq n ALA 28 N -2.94 -2.70 0.09 2.41 0.00 -1.18 -4.92 120.51 111.28 3hhq n ALA 28 Ca -0.34 0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 3hhq n ALA 28 Cb 1.06 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.69 0.60 -2.63 0.00 0.00 -1.94 -3.49 119.26 112.50 3hhq h ALA 29 Ca -0.27 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 53.66 3hhq h ALA 29 Cb 1.27 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 3hhq h ALA 29 CO 0.47 1.02 -0.71 0.20 0.00 0.00 0.00 179.25 180.24 3hhq s GLY 30 N -4.59 0.59 -0.12 0.00 0.00 -1.26 -4.41 107.32 97.52 3hhq s GLY 30 Ca -0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 3hhq s GLY 30 CO 0.80 -1.14 0.02 -0.19 0.00 0.00 0.00 173.10 172.58 3hhq s TYR 31 N -2.68 3.18 0.12 1.90 1.51 0.79 -4.70 117.35 117.47 3hhq s TYR 31 Ca 0.01 0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 55.85 3hhq s TYR 31 Cb -0.01 -1.90 -0.08 0.00 -0.11 0.00 0.00 41.96 39.86 3hhq s TYR 31 CO -0.03 0.31 1.37 -0.51 -1.11 0.00 0.00 175.55 175.58 3hhq s ASP 32 N -0.36 6.85 -0.19 2.29 1.01 0.05 0.53 116.67 126.86 3hhq s ASP 32 Ca 0.07 2.31 -0.05 0.00 0.71 0.00 0.00 52.55 55.59 3hhq s ASP 32 Cb -0.12 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 3hhq s ASP 32 CO 0.02 -0.63 0.01 -0.63 0.21 0.00 0.00 175.17 174.15 3hhq s ILE 33 N 0.99 4.08 -0.12 0.77 1.01 0.26 -3.36 121.20 124.82 3hhq s ILE 33 Ca 0.63 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 3hhq s ILE 33 Cb -0.36 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3hhq s ILE 33 CO 0.31 0.44 0.02 -0.31 0.00 0.00 0.00 174.94 175.40 3hhq s TYR 34 N 0.83 3.20 0.30 3.97 2.02 -1.26 -0.77 117.35 125.63 3hhq s TYR 34 Ca 0.01 0.11 -0.29 0.00 -0.37 0.00 0.00 57.07 56.52 3hhq s TYR 34 Cb -0.14 -1.90 -0.12 0.00 -0.40 0.00 0.00 41.96 39.39 3hhq s TYR 34 CO 0.02 0.33 1.42 0.00 -1.57 0.00 0.00 175.55 175.75 3hhq n ALA 35 N 2.72 1.64 0.84 3.71 0.00 -0.20 -4.53 120.51 124.69 3hhq n ALA 35 Ca -0.18 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.73 3hhq n ALA 35 Cb 0.53 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 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 1.49 1.49 -3.80 0.00 3.41 0.08 -0.28 113.62 116.01 3hhq n SER 36 Ca 0.07 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 3hhq n SER 36 Cb 0.35 0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 64.87 3hhq n SER 36 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hhq s GLN 37 N -2.32 0.73 0.35 4.33 0.74 -1.26 -4.78 119.66 117.45 3hhq s GLN 37 Ca 0.13 -0.54 -0.28 0.00 0.05 0.00 0.00 55.36 54.72 3hhq s GLN 37 Cb 0.15 0.31 -0.09 0.00 1.10 0.00 0.00 33.01 34.47 3hhq s GLN 37 CO 0.56 -0.22 1.23 -0.51 -0.55 0.00 0.00 175.29 175.80 3hhq s ASP 38 N -2.00 6.74 0.07 6.67 1.11 -1.26 -3.73 116.67 124.27 3hhq s ASP 38 Ca -0.06 2.52 -0.25 0.00 0.18 0.00 0.00 52.55 54.93 3hhq s ASP 38 Cb -0.02 -2.63 0.07 0.00 1.07 0.00 0.00 42.92 41.41 3hhq s ASP 38 CO -0.03 -0.54 0.61 -0.51 1.18 0.00 0.00 175.17 175.88 3hhq s ILE 39 N -1.23 0.01 -0.08 0.77 1.10 -0.58 -4.94 121.20 116.24 3hhq s ILE 39 Ca 0.51 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.60 3hhq s ILE 39 Cb -0.36 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.27 3hhq s ILE 39 CO 0.47 -0.03 -0.08 -0.89 -2.11 0.00 0.00 174.94 172.29 3hhq s THR 40 N -2.63 0.96 -0.40 4.00 2.01 -1.26 -0.06 115.64 118.26 3hhq s THR 40 Ca -0.04 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 3hhq s THR 40 Cb -0.01 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.57 3hhq s THR 40 CO -0.03 0.34 0.49 -0.63 -0.69 0.00 0.00 174.62 174.10 3hhq s ILE 41 N 1.23 5.02 0.61 1.82 -1.09 0.12 -4.84 121.20 124.08 3hhq s ILE 41 Ca -0.04 -0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 3hhq s ILE 41 Cb -0.14 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 3hhq s ILE 41 CO -0.03 -0.38 1.31 -2.84 -1.23 0.00 0.00 174.94 171.78 3hhq s PRO 42 N 2.34 2.79 0.14 2.79 0.02 -1.26 -0.80 135.00 141.01 3hhq s PRO 42 Ca 0.16 2.11 -0.33 0.00 0.02 0.00 0.00 61.00 62.95 3hhq s PRO 42 Cb -0.16 -1.99 -0.17 0.00 0.02 0.00 0.00 34.50 32.20 3hhq s PRO 42 CO 0.15 -1.43 0.95 0.00 -0.33 0.00 0.00 177.00 176.34 3hhq n ALA 43 N -1.58 -2.14 -2.40 -1.55 0.00 -1.25 -1.74 120.51 109.85 3hhq n ALA 43 Ca 0.14 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 3hhq n ALA 43 Cb 0.47 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 1.43 -2.18 0.00 0.00 2.81 -0.60 -4.86 117.12 113.72 3hhq n MET 44 Ca 0.17 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 3hhq n MET 44 Cb 0.20 -5.20 0.00 0.00 -0.71 0.00 0.00 33.22 27.51 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 -0.79 5.20 3.48 3.03 0.00 -0.71 -4.95 105.19 110.45 3hhq n GLY 45 Ca -0.15 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 1.32 0.38 1.61 -2.07 -1.26 -1.11 119.66 120.23 3hhq s GLN 46 Ca 0.00 -0.76 -0.14 0.00 -1.82 0.00 0.00 55.36 52.64 3hhq s GLN 46 Cb 0.00 0.53 0.05 0.00 -1.09 0.00 0.00 33.01 32.50 3hhq s GLN 46 CO 0.00 -0.56 0.76 0.20 -1.32 0.00 0.00 175.29 174.37 3hhq s GLY 47 N -2.84 0.51 -0.01 2.60 0.00 -0.78 -4.44 107.32 102.37 3hhq s GLY 47 Ca 0.06 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3hhq s GLY 47 CO -0.06 -0.40 -0.17 -0.29 0.00 0.00 0.00 173.10 172.19 3hhq s MET 48 N -2.35 1.32 -0.18 2.90 1.75 -1.26 -1.53 119.30 119.95 3hhq s MET 48 Ca 0.17 -0.61 -0.04 0.00 -1.25 0.00 0.00 55.69 53.96 3hhq s MET 48 Cb -0.05 -1.29 -0.02 0.00 2.84 0.00 0.00 34.83 36.31 3hhq s MET 48 CO 0.13 0.35 -0.03 0.08 -0.65 0.00 0.00 175.02 174.90 3hhq s VAL 49 N -0.42 3.80 0.51 10.11 1.01 0.05 -4.92 120.40 130.54 3hhq s VAL 49 Ca 0.06 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 3hhq s VAL 49 Cb -0.07 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 3hhq s VAL 49 CO -0.00 0.46 1.08 -0.44 0.00 0.00 0.00 175.10 176.19 3hhq s SER 50 N 0.75 6.08 0.00 3.32 0.01 -1.26 -1.53 113.70 121.06 3hhq s SER 50 Ca -0.01 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.29 3hhq s SER 50 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3hhq s SER 50 CO 0.02 -0.97 0.00 0.35 0.41 0.00 0.00 173.24 173.05 3hhq n THR 51 N -1.10 0.00 -2.67 1.44 -2.24 -1.25 -0.74 114.28 107.72 3hhq n THR 51 Ca 0.10 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 3hhq n THR 51 Cb 0.52 -0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.80 -4.42 -4.30 3.42 8.00 -1.26 -4.36 116.55 111.83 3hhq n ASP 52 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 3hhq n ASP 52 Cb 0.43 -3.70 -0.12 0.00 -0.02 0.00 0.00 41.12 37.71 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 -2.80 1.73 0.19 0.53 -4.36 -1.26 0.13 121.20 115.36 3hhq s ILE 53 Ca 0.11 -1.70 0.09 0.00 -0.26 0.00 0.00 60.65 58.89 3hhq s ILE 53 Cb -0.05 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 3hhq s ILE 53 CO 0.13 -0.18 -0.18 -0.44 0.24 0.00 0.00 174.94 174.51 3hhq s SER 54 N -2.24 2.89 0.07 4.36 0.01 -0.79 -0.70 113.70 117.30 3hhq s SER 54 Ca 0.10 -0.92 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 3hhq s SER 54 Cb -0.08 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.98 3hhq s SER 54 CO 0.05 -0.03 0.27 0.72 0.41 0.00 0.00 173.24 174.66 3hhq s PHE 55 N -2.27 -0.02 -0.32 2.43 -0.71 -1.26 -0.24 117.98 115.59 3hhq s PHE 55 Ca 0.20 -0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 55.79 3hhq s PHE 55 Cb -0.05 0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3hhq s PHE 55 CO 0.08 -0.53 0.09 0.99 -1.34 0.00 0.00 175.22 174.51 3hhq s THR 56 N -3.10 3.80 0.67 -4.49 2.01 -0.21 -4.80 115.64 109.53 3hhq s THR 56 Ca -0.01 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 3hhq s THR 56 Cb 0.01 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3hhq s THR 56 CO -0.07 -0.07 1.11 0.68 -0.69 0.00 0.00 174.62 175.59 3hhq s VAL 57 N 1.43 3.20 0.77 3.82 -7.23 -1.26 -1.82 120.40 119.31 3hhq s VAL 57 Ca -0.00 0.54 -0.14 0.00 -1.81 0.00 0.00 61.98 60.57 3hhq s VAL 57 Cb -0.19 -3.06 0.05 0.00 0.56 0.00 0.00 36.38 33.75 3hhq s VAL 57 CO 0.02 -0.36 1.12 -2.65 -0.31 0.00 0.00 175.10 172.92 3hhq n PRO 58 N -2.55 0.35 -1.63 4.82 -0.02 -1.24 -4.93 135.00 129.80 3hhq n PRO 58 Ca 0.10 0.19 -0.48 0.00 -2.02 0.00 0.00 63.50 61.29 3hhq n PRO 58 Cb 0.52 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3hhq n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhq n VAL 59 N -2.96 0.48 -0.80 -1.45 0.31 -1.26 -2.25 118.33 110.40 3hhq n VAL 59 Ca 0.13 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3hhq n VAL 59 Cb 0.50 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 2.51 0.56 3.35 2.92 0.00 -1.26 -4.87 105.19 108.41 3hhq n GLY 60 Ca 0.15 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 0.84 0.26 2.61 -4.23 -0.95 -1.17 115.64 111.01 3hhq s THR 61 Ca 0.00 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 3hhq s THR 61 Cb 0.00 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 3hhq s THR 61 CO 0.00 -0.10 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.24 3hhq s TYR 62 N -3.55 1.78 -0.30 3.99 1.13 -0.88 -4.56 117.35 114.96 3hhq s TYR 62 Ca 0.35 -0.82 -0.25 0.00 -1.41 0.00 0.00 57.07 54.94 3hhq s TYR 62 Cb 0.08 -1.04 0.00 0.00 -1.10 0.00 0.00 41.96 39.90 3hhq s TYR 62 CO 0.13 0.12 0.88 0.20 -2.51 0.00 0.00 175.55 174.36 3hhq s GLY 63 N -3.38 1.67 -0.32 5.49 0.00 -0.31 -2.24 107.32 108.23 3hhq s GLY 63 Ca 0.29 -0.27 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 3hhq s GLY 63 CO 0.11 1.91 0.16 -1.60 0.00 0.00 0.00 173.10 173.68 3hhq s ARG 64 N 3.12 3.24 -0.55 2.90 3.52 -0.52 -0.33 118.95 130.33 3hhq s ARG 64 Ca 0.36 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.90 3hhq s ARG 64 Cb -0.14 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3hhq s ARG 64 CO 0.12 -0.47 1.45 0.42 -0.81 0.00 0.00 175.30 176.01 3hhq s ILE 65 N 1.60 3.76 0.19 4.11 -1.09 0.11 -1.65 121.20 128.24 3hhq s ILE 65 Ca 0.04 0.66 0.09 0.00 -2.23 0.00 0.00 60.65 59.21 3hhq s ILE 65 Cb -0.17 -4.38 -0.04 0.00 -1.58 0.00 0.00 42.46 36.29 3hhq s ILE 65 CO 0.06 -1.11 -0.12 0.00 -1.23 0.00 0.00 174.94 172.55 3hhq s ALA 66 N 6.18 2.89 0.43 9.38 0.00 0.27 -4.65 121.76 136.26 3hhq s ALA 66 Ca 0.54 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 3hhq s ALA 66 Cb -0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 23.12 22.28 3hhq s ALA 66 CO 0.25 0.43 1.18 -1.25 0.00 0.00 0.00 175.76 176.38 3hhq s PRO 67 N -2.91 3.90 0.21 0.00 0.05 -1.26 -0.94 135.00 134.05 3hhq s PRO 67 Ca 0.25 1.84 -0.30 0.00 0.05 0.00 0.00 61.00 62.84 3hhq s PRO 67 Cb -0.08 -2.56 -0.09 0.00 0.05 0.00 0.00 34.50 31.82 3hhq s PRO 67 CO 0.15 -0.45 1.35 1.03 0.05 0.00 0.00 177.00 179.12 3hhq s ARG 68 N -2.48 4.36 0.15 4.56 0.52 -1.26 -4.62 118.95 120.17 3hhq s ARG 68 Ca 0.60 2.12 -0.12 0.00 -0.52 0.00 0.00 55.73 57.81 3hhq s ARG 68 Cb -0.30 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 3hhq s ARG 68 CO 0.38 -0.30 1.54 0.77 0.02 0.00 0.00 175.30 177.71 3hhq h SER 69 N 5.33 0.93 -0.33 0.23 0.02 -1.96 -2.91 113.55 114.85 3hhq h SER 69 Ca -0.45 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 3hhq h SER 69 Cb 1.21 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3hhq h SER 69 CO 0.78 1.10 0.21 1.23 -1.14 0.00 0.00 176.83 179.01 3hhq h GLY 70 N 0.75 0.48 2.00 -3.77 0.00 -1.99 -1.73 103.07 98.81 3hhq h GLY 70 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3hhq h GLY 70 CO 0.05 0.18 -0.33 1.41 0.00 0.00 0.00 176.54 177.86 3hhq h LEU 71 N 0.44 0.00 0.12 3.11 3.38 -1.92 0.77 115.31 121.21 3hhq h LEU 71 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hhq h LEU 71 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hhq h LEU 71 CO -0.02 0.33 -0.06 0.00 0.09 0.00 0.00 178.44 178.78 3hhq h ALA 72 N 1.67 -0.16 -0.17 1.53 0.00 -1.21 -1.50 119.26 119.42 3hhq h ALA 72 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3hhq h ALA 72 Cb 0.71 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hhq h ALA 72 CO 0.04 -0.42 -0.27 0.28 0.00 0.00 0.00 179.25 178.88 3hhq h VAL 73 N -0.50 1.35 0.06 0.00 2.07 -0.98 -2.29 116.25 115.96 3hhq h VAL 73 Ca -0.02 -1.50 -0.23 0.00 0.82 0.00 0.00 66.70 65.77 3hhq h VAL 73 Cb 0.40 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3hhq h VAL 73 CO 0.03 0.45 -1.06 0.11 0.02 0.00 0.00 177.57 177.12 3hhq h LYS 74 N 0.13 0.20 0.00 1.57 1.57 -0.97 -3.40 116.57 115.66 3hhq h LYS 74 Ca 0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3hhq h LYS 74 Cb 0.85 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3hhq h LYS 74 CO 0.06 1.09 0.00 0.09 -0.57 0.00 0.00 179.45 180.12 3hhq n ASN 75 N -3.54 0.39 -1.92 0.86 3.02 -0.59 -5.03 115.26 108.44 3hhq n ASN 75 Ca -0.05 -1.08 -0.17 0.00 -0.03 0.00 0.00 54.58 53.25 3hhq n ASN 75 Cb 0.93 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.04 -0.24 3.78 7.41 0.00 -0.86 -4.38 105.19 110.86 3hhq n GLY 76 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.84 5.27 -0.02 -0.61 -1.09 -1.05 -0.26 121.20 120.60 3hhq s ILE 77 Ca 0.00 0.57 0.03 0.00 -2.23 0.00 0.00 60.65 59.02 3hhq s ILE 77 Cb 0.00 -3.61 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3hhq s ILE 77 CO 0.00 0.48 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.50 3hhq s GLN 78 N -0.18 1.01 0.25 2.79 2.00 -0.30 -3.76 119.66 121.47 3hhq s GLN 78 Ca 0.18 -0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 52.87 3hhq s GLN 78 Cb -0.14 -0.95 -0.09 0.00 0.80 0.00 0.00 33.01 32.63 3hhq s GLN 78 CO 0.06 0.18 1.09 0.95 -0.50 0.00 0.00 175.29 177.07 3hhq s THR 79 N -0.03 3.63 0.37 -0.34 -4.23 -1.26 0.13 115.64 113.92 3hhq s THR 79 Ca 0.00 1.58 0.04 0.00 -1.18 0.00 0.00 61.69 62.13 3hhq s THR 79 Cb -0.07 -4.01 0.04 0.00 1.34 0.00 0.00 72.50 69.80 3hhq s THR 79 CO 0.00 0.35 0.31 0.61 -0.54 0.00 0.00 174.62 175.35 3hhq n GLY 80 N 1.45 2.72 7.00 3.99 0.00 0.17 -4.86 105.19 115.66 3hhq n GLY 80 Ca -0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 3hhq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhq n ALA 81 N -2.27 0.00 0.00 4.61 0.00 -1.26 -4.45 120.51 117.14 3hhq n ALA 81 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hhq n ALA 81 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.50 3.51 0.00 0.00 -1.26 -4.93 105.19 103.01 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 -2.00 4.55 -0.33 1.61 1.01 -1.26 -0.72 120.40 123.26 3hhq s VAL 83 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3hhq s VAL 83 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3hhq s VAL 83 CO 0.00 -0.95 0.17 -0.69 0.00 0.00 0.00 175.10 173.63 3hhq s VAL 84 N 3.52 4.59 0.51 2.92 1.01 0.55 -4.99 120.40 128.50 3hhq s VAL 84 Ca 0.27 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3hhq s VAL 84 Cb -0.14 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3hhq s VAL 84 CO 0.19 -0.03 1.04 -1.81 0.00 0.00 0.00 175.10 174.49 3hhq s ASP 85 N 1.59 6.24 0.56 3.32 -0.00 -1.26 -1.16 116.67 125.96 3hhq s ASP 85 Ca 0.04 1.90 0.25 0.00 -0.00 0.00 0.00 52.55 54.74 3hhq s ASP 85 Cb -0.18 -2.55 1.61 0.00 -0.00 0.00 0.00 42.92 41.80 3hhq s ASP 85 CO 0.06 -0.85 2.20 -0.09 -0.00 0.00 0.00 175.17 176.50 3hhq h ARG 86 N 1.34 0.00 -0.58 8.23 2.43 -1.92 -1.85 114.38 122.02 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 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hhq h ARG 86 CO 0.59 0.02 0.00 -0.40 -1.51 0.00 0.00 179.97 178.66 3hhq n ASP 87 N -4.05 3.08 -4.69 -3.80 3.85 -1.26 -4.49 116.55 105.19 3hhq n ASP 87 Ca -0.03 -2.01 -0.42 0.00 -0.71 0.00 0.00 54.79 51.62 3hhq n ASP 87 Cb 0.10 -0.39 -0.03 0.00 -1.35 0.00 0.00 41.12 39.46 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 -1.24 3.50 -0.12 2.11 5.04 -0.70 -4.93 117.35 121.01 3hhq s TYR 88 Ca 0.38 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 3hhq s TYR 88 Cb 0.20 -3.15 0.02 0.00 0.35 0.00 0.00 41.96 39.38 3hhq s TYR 88 CO 0.26 -0.22 0.81 0.25 -1.34 0.00 0.00 175.55 175.31 3hhq n THR 89 N 4.56 0.55 -1.57 4.34 -2.24 -1.26 -4.65 114.28 114.01 3hhq n THR 89 Ca 0.08 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 3hhq n THR 89 Cb 0.49 0.74 0.20 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.59 1.68 0.22 3.38 0.00 -1.26 -4.91 107.32 105.84 3hhq s GLY 90 Ca 0.02 -1.02 -0.32 0.00 0.00 0.00 0.00 44.72 43.40 3hhq s GLY 90 CO 0.02 -0.23 1.62 -2.21 0.00 0.00 0.00 173.10 172.29 3hhq n GLU 91 N -4.13 2.51 -2.42 2.90 2.13 -1.26 -4.50 120.64 115.87 3hhq n GLU 91 Ca 0.13 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.42 3hhq n GLU 91 Cb 0.59 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.59 3hhq n GLU 91 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hhq s VAL 92 N 0.69 4.27 -0.07 6.31 1.01 0.13 -4.99 120.40 127.75 3hhq s VAL 92 Ca 0.73 1.53 0.02 0.00 0.00 0.00 0.00 61.98 64.25 3hhq s VAL 92 Cb -0.57 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3hhq s VAL 92 CO 0.39 -0.15 -0.09 -0.54 0.00 0.00 0.00 175.10 174.71 3hhq s LYS 93 N 3.54 2.71 -0.25 2.72 1.02 -1.26 -3.78 119.74 124.43 3hhq s LYS 93 Ca 0.55 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.86 3hhq s LYS 93 Cb -0.22 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3hhq s LYS 93 CO 0.15 0.63 0.10 0.08 -0.92 0.00 0.00 175.35 175.39 3hhq s VAL 94 N -0.73 4.61 -0.16 3.17 1.01 -0.58 -4.90 120.40 122.81 3hhq s VAL 94 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 3hhq s VAL 94 Cb -0.11 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3hhq s VAL 94 CO 0.01 0.33 0.71 -0.69 0.00 0.00 0.00 175.10 175.46 3hhq s VAL 95 N 1.55 4.98 -0.04 2.92 1.01 -1.26 -0.77 120.40 128.79 3hhq s VAL 95 Ca 0.06 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.48 3hhq s VAL 95 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3hhq s VAL 95 CO 0.05 0.11 -0.22 -0.76 0.00 0.00 0.00 175.10 174.29 3hhq s LEU 96 N 1.77 2.01 -0.06 3.92 1.43 -0.58 -0.66 118.68 126.51 3hhq s LEU 96 Ca 0.33 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3hhq s LEU 96 Cb -0.16 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3hhq s LEU 96 CO 0.12 0.22 0.04 -0.36 0.23 0.00 0.00 176.35 176.61 3hhq s PHE 97 N -0.17 3.25 -0.24 0.29 0.40 0.12 -1.86 117.98 119.78 3hhq s PHE 97 Ca -0.01 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 3hhq s PHE 97 Cb -0.12 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.67 3hhq s PHE 97 CO 0.02 0.53 -0.13 1.21 0.70 0.00 0.00 175.22 177.56 3hhq s ASN 98 N -1.18 4.05 0.00 1.36 3.84 -0.26 -1.15 114.94 121.60 3hhq s ASN 98 Ca 0.16 -1.12 0.23 0.00 0.21 0.00 0.00 52.86 52.35 3hhq s ASN 98 Cb -0.12 -1.54 0.46 0.00 -0.55 0.00 0.00 41.25 39.50 3hhq s ASN 98 CO 0.06 -0.13 1.41 1.41 -2.79 0.00 0.00 177.10 177.07 3hhq n HIS 99 N 4.52 0.34 -2.53 0.43 8.25 0.64 -1.99 115.22 124.88 3hhq n HIS 99 Ca -0.16 -0.17 -0.24 0.00 -0.26 0.00 0.00 57.72 56.88 3hhq n HIS 99 Cb 0.45 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.62 4.12 0.00 0.41 1.04 -1.26 -4.74 113.70 111.66 3hhq s SER 100 Ca 0.36 -0.36 0.26 0.00 0.48 0.00 0.00 55.95 56.69 3hhq s SER 100 Cb 0.21 0.07 0.95 0.00 0.10 0.00 0.00 66.02 67.35 3hhq s SER 100 CO 0.31 -2.03 1.68 0.00 0.98 0.00 0.00 173.24 174.18 3hhq n GLN 101 N -2.97 1.71 -4.85 4.02 1.13 -1.26 -1.56 117.38 113.59 3hhq n GLN 101 Ca 0.16 -1.03 -0.33 0.00 -1.94 0.00 0.00 57.00 53.86 3hhq n GLN 101 Cb 0.61 -1.46 -0.13 0.00 0.11 0.00 0.00 30.24 29.36 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 -1.94 2.74 0.53 -1.09 0.52 -1.26 -4.82 118.95 113.63 3hhq s ARG 102 Ca 0.36 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.66 3hhq s ARG 102 Cb 0.20 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 3hhq s ARG 102 CO 0.32 0.52 1.35 -0.51 0.02 0.00 0.00 175.30 176.99 3hhq s ASP 103 N -0.45 5.42 -0.27 0.23 -0.00 -1.26 -3.74 116.67 116.60 3hhq s ASP 103 Ca 0.05 2.75 -0.03 0.00 -0.00 0.00 0.00 52.55 55.33 3hhq s ASP 103 Cb -0.12 -2.64 0.03 0.00 -0.00 0.00 0.00 42.92 40.19 3hhq s ASP 103 CO 0.02 -1.46 -0.01 0.12 -0.00 0.00 0.00 175.17 173.83 3hhq s PHE 104 N -1.31 3.13 -0.25 4.23 2.19 0.02 -4.85 117.98 121.15 3hhq s PHE 104 Ca 0.69 -1.50 -0.15 0.00 0.33 0.00 0.00 56.93 56.30 3hhq s PHE 104 Cb -0.40 -2.12 -0.04 0.00 -1.31 0.00 0.00 43.02 39.16 3hhq s PHE 104 CO 0.48 -0.72 0.36 0.00 1.83 0.00 0.00 175.22 177.17 3hhq s ALA 105 N 1.35 3.57 -0.09 11.12 0.00 -1.26 0.16 121.76 136.60 3hhq s ALA 105 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3hhq s ALA 105 Cb -0.18 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3hhq s ALA 105 CO -0.02 -0.50 -0.12 0.42 0.00 0.00 0.00 175.76 175.53 3hhq s ILE 106 N 1.74 3.20 -0.01 0.00 1.01 0.91 -5.01 121.20 123.05 3hhq s ILE 106 Ca 0.15 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3hhq s ILE 106 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3hhq s ILE 106 CO 0.09 0.56 -0.05 -0.54 0.00 0.00 0.00 174.94 175.00 3hhq s LYS 107 N -0.28 2.62 0.03 2.79 -0.14 -1.26 -1.53 119.74 121.97 3hhq s LYS 107 Ca 0.02 -0.68 -0.36 0.00 -1.36 0.00 0.00 55.97 53.60 3hhq s LYS 107 Cb -0.13 -2.54 -0.18 0.00 -1.68 0.00 0.00 37.83 33.29 3hhq s LYS 107 CO 0.03 0.61 0.93 1.17 -0.76 0.00 0.00 175.35 177.33 3hhq n LYS 108 N 1.61 0.00 0.00 1.68 4.81 -1.24 -1.48 118.16 123.53 3hhq n LYS 108 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3hhq n LYS 108 Cb 0.53 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.24 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 1.47 2.78 3.79 3.14 0.00 0.62 -4.97 105.19 112.02 3hhq n GLY 109 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.34 6.93 0.01 1.61 1.01 -0.55 -4.77 116.67 119.57 3hhq s ASP 110 Ca 0.00 1.95 -0.28 0.00 0.71 0.00 0.00 52.55 54.94 3hhq s ASP 110 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3hhq s ASP 110 CO 0.00 -0.37 0.88 -0.13 0.21 0.00 0.00 175.17 175.76 3hhq s ARG 111 N -2.44 4.55 0.00 8.23 0.52 -1.26 -1.04 118.95 127.51 3hhq s ARG 111 Ca 0.56 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 3hhq s ARG 111 Cb -0.20 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3hhq s ARG 111 CO 0.25 0.08 0.00 1.33 0.02 0.00 0.00 175.30 176.98 3hhq n VAL 112 N 3.49 0.00 -3.85 3.52 0.24 0.05 -4.94 118.33 116.84 3hhq n VAL 112 Ca 0.02 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 3hhq n VAL 112 Cb 0.51 0.56 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.57 -1.13 0.07 2.33 0.00 -1.20 -4.67 121.76 115.59 3hhq s ALA 113 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.45 3hhq s ALA 113 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3hhq s ALA 113 CO 0.00 -1.02 -0.19 1.14 0.00 0.00 0.00 175.76 175.69 3hhq s GLN 114 N -2.17 1.14 -0.15 0.00 -2.07 -0.11 -0.58 119.66 115.72 3hhq s GLN 114 Ca 0.19 -0.99 -0.14 0.00 -1.82 0.00 0.00 55.36 52.59 3hhq s GLN 114 Cb -0.04 -1.28 -0.05 0.00 -1.09 0.00 0.00 33.01 30.55 3hhq s GLN 114 CO 0.09 0.31 0.33 -1.17 -1.32 0.00 0.00 175.29 173.52 3hhq s LEU 115 N -1.51 4.26 -0.09 2.60 2.96 0.19 -0.57 118.68 126.52 3hhq s LEU 115 Ca 0.05 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 3hhq s LEU 115 Cb -0.09 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 3hhq s LEU 115 CO 0.03 0.09 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.28 3hhq s ILE 116 N 0.43 2.00 -1.25 6.68 1.01 -0.66 -0.15 121.20 129.28 3hhq s ILE 116 Ca 0.18 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3hhq s ILE 116 Cb -0.13 -1.72 0.12 0.00 0.01 0.00 0.00 42.46 40.73 3hhq s ILE 116 CO 0.05 0.55 1.58 -0.76 0.00 0.00 0.00 174.94 176.36 3hhq s LEU 117 N 0.26 4.42 0.07 2.97 1.43 -1.26 -1.44 118.68 125.13 3hhq s LEU 117 Ca -0.16 -2.68 -0.31 0.00 -1.03 0.00 0.00 54.13 49.95 3hhq s LEU 117 Cb -0.17 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 3hhq s LEU 117 CO 0.08 -0.97 1.68 -1.61 0.23 0.00 0.00 176.35 175.75 3hhq s GLU 118 N 2.96 4.19 0.12 1.70 0.41 -0.95 -4.91 118.70 122.22 3hhq s GLU 118 Ca 0.48 2.36 -0.30 0.00 -0.41 0.00 0.00 54.97 57.10 3hhq s GLU 118 Cb 0.01 -3.63 -0.07 0.00 -1.78 0.00 0.00 34.13 28.66 3hhq s GLU 118 CO 0.04 -0.76 1.20 0.15 -0.49 0.00 0.00 175.26 175.40 3hhq s LYS 119 N 2.76 4.46 0.18 1.61 1.02 -1.26 -2.08 119.74 126.44 3hhq s LYS 119 Ca 0.75 1.82 -0.02 0.00 0.02 0.00 0.00 55.97 58.54 3hhq s LYS 119 Cb -0.40 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 3hhq s LYS 119 CO 0.33 -0.18 0.13 0.96 -0.92 0.00 0.00 175.35 175.67 3hhq s ILE 120 N 0.57 0.04 -0.42 2.17 -4.36 -0.31 -4.96 121.20 113.93 3hhq s ILE 120 Ca 0.56 -1.92 -0.17 0.00 -0.26 0.00 0.00 60.65 58.86 3hhq s ILE 120 Cb -0.31 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.10 3hhq s ILE 120 CO 0.32 -0.16 0.40 -0.69 0.24 0.00 0.00 174.94 175.05 3hhq s VAL 121 N -4.11 5.14 -2.10 8.37 1.01 -1.26 -4.69 120.40 122.76 3hhq s VAL 121 Ca 0.33 -0.43 0.18 0.00 0.00 0.00 0.00 61.98 62.06 3hhq s VAL 121 Cb 0.07 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.54 3hhq s VAL 121 CO 0.08 -0.39 1.03 -0.90 0.00 0.00 0.00 175.10 174.93 3hhq n ASP 122 N 5.47 2.28 -1.30 3.32 3.85 -1.26 -4.52 116.55 124.40 3hhq n ASP 122 Ca -0.08 -1.64 -0.03 0.00 -0.71 0.00 0.00 54.79 52.32 3hhq n ASP 122 Cb 0.47 0.16 0.12 0.00 -1.35 0.00 0.00 41.12 40.52 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 0.67 2.53 -4.78 -1.12 3.85 -1.26 -5.06 116.55 111.38 3hhq n ASP 123 Ca 0.10 -3.47 -0.36 0.00 -0.71 0.00 0.00 54.79 50.35 3hhq n ASP 123 Cb 0.44 -0.44 -0.01 0.00 -1.35 0.00 0.00 41.12 39.75 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 -2.96 2.85 -0.06 2.12 0.00 -1.26 -5.00 121.76 117.45 3hhq s ALA 124 Ca 0.40 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 3hhq s ALA 124 Cb 0.38 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3hhq s ALA 124 CO -0.05 -0.62 1.10 -0.65 0.00 0.00 0.00 175.76 175.55 3hhq s GLN 125 N -3.01 4.41 -0.05 0.00 -1.52 -1.26 -5.02 119.66 113.21 3hhq s GLN 125 Ca 0.68 1.55 -0.27 0.00 -1.95 0.00 0.00 55.36 55.37 3hhq s GLN 125 Cb -0.24 -3.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 3hhq s GLN 125 CO 0.28 -0.33 0.85 0.42 -0.25 0.00 0.00 175.29 176.26 3hhq s ILE 126 N 1.88 4.94 -0.06 1.08 1.01 -1.26 -5.03 121.20 123.77 3hhq s ILE 126 Ca 0.53 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.94 3hhq s ILE 126 Cb -0.22 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.09 3hhq s ILE 126 CO 0.22 0.18 -0.02 -0.69 0.00 0.00 0.00 174.94 174.63 3hhq s VAL 127 N 1.08 0.43 -0.24 2.92 1.01 -1.26 -5.12 120.40 119.22 3hhq s VAL 127 Ca 0.44 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 3hhq s VAL 127 Cb -0.19 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3hhq s VAL 127 CO 0.22 0.24 0.49 -0.69 0.00 0.00 0.00 175.10 175.36 3hhq s VAL 128 N 1.50 5.10 0.23 2.92 1.01 -1.26 -5.09 120.40 124.82 3hhq s VAL 128 Ca -0.02 0.86 0.11 0.00 0.00 0.00 0.00 61.98 62.92 3hhq s VAL 128 Cb -0.13 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3hhq s VAL 128 CO -0.03 0.13 -0.20 0.68 0.00 0.00 0.00 175.10 175.68 3hhq s VAL 129 N 2.01 2.25 0.05 2.92 -7.23 -1.26 -5.07 120.40 114.07 3hhq s VAL 129 Ca 0.21 -2.23 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 3hhq s VAL 129 Cb -0.15 -2.16 -0.13 0.00 0.56 0.00 0.00 36.38 34.50 3hhq s VAL 129 CO 0.09 -0.35 1.39 0.44 -0.31 0.00 0.00 175.10 176.36 3hhq h ASP 130 N 2.66 0.40 -5.03 4.85 3.32 -2.10 -3.45 116.42 117.06 3hhq h ASP 130 Ca -0.41 -0.43 -0.11 0.00 0.02 0.00 0.00 57.03 56.09 3hhq h ASP 130 Cb 1.23 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.49 3hhq h ASP 130 CO 0.56 0.74 -0.35 -0.94 -1.72 0.00 0.00 179.24 177.53 3hhq s SER 131 N -6.08 -0.05 0.00 6.45 1.04 -1.26 -5.36 113.70 108.44 3hhq s SER 131 Ca -0.14 -0.20 0.31 0.00 0.48 0.00 0.00 55.95 56.40 3hhq s SER 131 Cb 0.06 0.29 1.64 0.00 0.10 0.00 0.00 66.02 68.11 3hhq s SER 131 CO 0.75 -0.51 2.08 0.18 0.98 0.00 0.00 173.24 176.72