#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq s LYS 7 N 0.00 3.71 -0.06 -0.67 1.02 -1.26 -5.09 119.74 117.40 3hhq s LYS 7 Ca 0.00 0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.16 3hhq s LYS 7 Cb 0.00 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3hhq s LYS 7 CO 0.00 0.28 -0.15 0.08 -0.92 0.00 0.00 175.35 174.63 3hhq s VAL 8 N -1.93 1.32 -0.32 3.17 1.01 -1.26 -5.04 120.40 117.34 3hhq s VAL 8 Ca 0.46 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 3hhq s VAL 8 Cb -0.11 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3hhq s VAL 8 CO 0.25 0.39 0.44 -0.22 0.00 0.00 0.00 175.10 175.96 3hhq s LEU 9 N 0.32 4.27 -0.21 3.92 2.96 -1.26 -3.79 118.68 124.89 3hhq s LEU 9 Ca -0.09 0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 3hhq s LEU 9 Cb -0.13 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 3hhq s LEU 9 CO 0.03 -0.35 0.46 -0.54 -1.32 0.00 0.00 176.35 174.62 3hhq s LYS 10 N 2.20 4.16 -0.14 1.98 1.02 -0.92 -4.97 119.74 123.07 3hhq s LYS 10 Ca 0.16 0.29 -0.01 0.00 0.02 0.00 0.00 55.97 56.43 3hhq s LYS 10 Cb -0.16 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 3hhq s LYS 10 CO 0.12 -0.12 -0.12 0.42 -0.92 0.00 0.00 175.35 174.72 3hhq s ILE 11 N 1.57 3.10 -0.18 2.17 -1.09 -1.26 -1.16 121.20 124.34 3hhq s ILE 11 Ca 0.21 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 57.96 3hhq s ILE 11 Cb -0.15 -2.31 -0.01 0.00 -1.58 0.00 0.00 42.46 38.40 3hhq s ILE 11 CO 0.09 0.51 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.67 3hhq s GLN 12 N 0.48 3.44 -0.38 2.79 0.74 0.31 -5.01 119.66 122.03 3hhq s GLN 12 Ca -0.09 -0.62 -0.20 0.00 0.05 0.00 0.00 55.36 54.50 3hhq s GLN 12 Cb -0.16 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.07 3hhq s GLN 12 CO 0.04 -0.01 0.61 -0.51 -0.55 0.00 0.00 175.29 174.88 3hhq s LEU 13 N 0.97 4.36 0.00 3.68 1.43 -1.26 -1.48 118.68 126.38 3hhq s LEU 13 Ca -0.00 -0.06 0.28 0.00 -1.03 0.00 0.00 54.13 53.32 3hhq s LEU 13 Cb -0.15 -2.72 1.12 0.00 0.03 0.00 0.00 46.19 44.47 3hhq s LEU 13 CO 0.00 -0.63 1.82 0.54 0.23 0.00 0.00 176.35 178.31 3hhq n ARG 14 N 6.05 0.27 -3.48 1.70 1.74 0.12 -4.89 116.66 118.18 3hhq n ARG 14 Ca -0.02 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 3hhq n ARG 14 Cb 0.48 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3hhq n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hhq s SER 15 N -2.78 -0.44 0.06 0.55 1.04 -1.25 -5.01 113.70 105.85 3hhq s SER 15 Ca 0.20 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3hhq s SER 15 Cb 0.19 0.48 0.23 0.00 0.10 0.00 0.00 66.02 67.03 3hhq s SER 15 CO 0.54 -0.79 1.14 0.00 0.98 0.00 0.00 173.24 175.11 3hhq n ALA 16 N -0.31 1.04 0.12 5.32 0.00 -1.26 -2.43 120.51 122.99 3hhq n ALA 16 Ca -0.12 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.44 3hhq n ALA 16 Cb 0.63 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.04 3hhq n ALA 16 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hhq h SER 17 N 0.00 0.00 -4.04 0.00 0.02 -1.95 -3.47 113.55 104.11 3hhq h SER 17 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3hhq h SER 17 Cb 0.01 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.65 3hhq h SER 17 CO 0.00 0.16 0.51 0.00 -1.14 0.00 0.00 176.83 176.36 3hhq s ALA 18 N -3.21 2.81 -0.09 3.77 0.00 -1.02 -4.56 121.76 119.46 3hhq s ALA 18 Ca 0.01 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3hhq s ALA 18 Cb 0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3hhq s ALA 18 CO 0.76 -0.98 -0.15 0.99 0.00 0.00 0.00 175.76 176.38 3hhq s THR 19 N -1.51 2.90 0.11 0.00 2.01 -1.26 -5.00 115.64 112.89 3hhq s THR 19 Ca 0.70 -0.75 -0.33 0.00 0.31 0.00 0.00 61.69 61.62 3hhq s THR 19 Cb -0.32 -2.17 -0.13 0.00 0.01 0.00 0.00 72.50 69.90 3hhq s THR 19 CO 0.37 0.56 1.71 0.52 -0.69 0.00 0.00 174.62 177.09 3hhq n VAL 20 N 3.01 0.19 -1.72 3.82 0.31 -1.26 -4.67 118.33 118.01 3hhq n VAL 20 Ca -0.18 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 3hhq n VAL 20 Cb 0.52 -1.77 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 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 4.59 2.32 -4.83 5.55 -0.02 -1.26 -4.97 135.00 136.38 3hhq n PRO 21 Ca 0.18 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 62.20 3hhq n PRO 21 Cb 0.31 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 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 -0.95 1.84 0.02 3.45 -4.23 -0.98 -4.79 115.64 110.00 3hhq s THR 22 Ca 0.56 -1.20 -0.26 0.00 -1.18 0.00 0.00 61.69 59.62 3hhq s THR 22 Cb -0.54 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 3hhq s THR 22 CO 0.61 0.33 0.79 -0.54 -0.54 0.00 0.00 174.62 175.26 3hhq s LYS 23 N -1.04 4.50 0.00 3.99 1.02 -1.26 0.12 119.74 127.07 3hhq s LYS 23 Ca 0.09 1.09 0.29 0.00 0.02 0.00 0.00 55.97 57.46 3hhq s LYS 23 Cb -0.09 -3.39 1.33 0.00 -0.52 0.00 0.00 37.83 35.16 3hhq s LYS 23 CO 0.01 0.19 1.93 0.41 -0.92 0.00 0.00 175.35 176.98 3hhq n GLY 24 N 2.59 -1.11 3.58 -3.33 0.00 -1.26 -4.91 105.19 100.74 3hhq n GLY 24 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 3hhq n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hhq s SER 25 N -2.54 -0.19 0.07 1.61 0.15 -1.26 -5.08 113.70 106.45 3hhq s SER 25 Ca 0.28 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.79 3hhq s SER 25 Cb 0.20 0.20 -0.15 0.00 -1.71 0.00 0.00 66.02 64.55 3hhq s SER 25 CO 0.48 -0.31 1.29 0.00 1.20 0.00 0.00 173.24 175.89 3hhq h ALA 26 N 2.03 0.27 -0.64 5.45 0.00 -2.01 -3.18 119.26 121.18 3hhq h ALA 26 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3hhq h ALA 26 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hhq h ALA 26 CO 0.25 0.46 0.00 0.25 0.00 0.00 0.00 179.25 180.21 3hhq n THR 27 N -4.17 1.72 -1.75 0.00 -2.24 -1.26 -4.98 114.28 101.59 3hhq n THR 27 Ca -0.07 -1.12 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 3hhq n THR 27 Cb 0.61 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq n ALA 28 N 1.13 2.51 -0.29 6.98 0.00 -1.20 -4.90 120.51 124.74 3hhq n ALA 28 Ca 0.25 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 54.04 3hhq n ALA 28 Cb 0.85 -2.45 0.17 0.00 0.00 0.00 0.00 19.45 18.02 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 4.26 1.34 -2.20 0.00 0.00 -1.93 -3.46 119.26 117.26 3hhq h ALA 29 Ca -0.48 -0.08 -0.41 0.00 0.00 0.00 0.00 54.91 53.94 3hhq h ALA 29 Cb 1.23 -0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 3hhq h ALA 29 CO 0.75 0.59 -0.71 0.20 0.00 0.00 0.00 179.25 180.07 3hhq s GLY 30 N -3.27 1.38 -0.20 0.00 0.00 -1.26 -4.48 107.32 99.48 3hhq s GLY 30 Ca -0.12 -1.65 -0.10 0.00 0.00 0.00 0.00 44.72 42.85 3hhq s GLY 30 CO 0.80 -1.71 0.13 -0.19 0.00 0.00 0.00 173.10 172.13 3hhq s TYR 31 N -3.12 3.39 0.24 1.90 1.51 -0.40 -4.46 117.35 116.41 3hhq s TYR 31 Ca 0.22 0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 56.28 3hhq s TYR 31 Cb 0.01 -2.16 -0.11 0.00 -0.11 0.00 0.00 41.96 39.59 3hhq s TYR 31 CO 0.06 0.26 1.64 -0.51 -1.11 0.00 0.00 175.55 175.89 3hhq s ASP 32 N 0.41 6.41 -0.16 2.29 1.01 0.32 -0.13 116.67 126.83 3hhq s ASP 32 Ca 0.08 2.86 -0.04 0.00 0.71 0.00 0.00 52.55 56.16 3hhq s ASP 32 Cb -0.11 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3hhq s ASP 32 CO -0.01 -0.92 -0.02 -0.63 0.21 0.00 0.00 175.17 173.80 3hhq s ILE 33 N 0.65 4.04 -0.11 0.77 1.01 0.17 -2.33 121.20 125.40 3hhq s ILE 33 Ca 0.69 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 3hhq s ILE 33 Cb -0.48 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3hhq s ILE 33 CO 0.39 0.49 0.04 -0.31 0.00 0.00 0.00 174.94 175.54 3hhq s TYR 34 N 0.36 3.26 0.26 3.97 2.02 -1.26 -0.52 117.35 125.44 3hhq s TYR 34 Ca -0.03 0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.59 3hhq s TYR 34 Cb -0.14 -1.86 -0.11 0.00 -0.40 0.00 0.00 41.96 39.45 3hhq s TYR 34 CO 0.02 0.46 1.62 0.00 -1.57 0.00 0.00 175.55 176.09 3hhq s ALA 35 N -0.71 3.79 -2.69 3.71 0.00 0.15 -4.52 121.76 121.50 3hhq s ALA 35 Ca 0.12 1.56 0.26 0.00 0.00 0.00 0.00 51.96 53.90 3hhq s ALA 35 Cb -0.12 -3.66 0.71 0.00 0.00 0.00 0.00 23.12 20.06 3hhq s ALA 35 CO 0.02 -0.95 1.55 -1.13 0.00 0.00 0.00 175.76 175.26 3hhq n SER 36 N 2.71 2.08 -3.60 0.00 3.41 0.13 -0.84 113.62 117.52 3hhq n SER 36 Ca 0.10 -1.69 -0.12 0.00 -0.26 0.00 0.00 58.87 56.90 3hhq n SER 36 Cb 0.37 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.00 0.72 0.28 4.33 0.74 -1.26 -4.78 119.66 117.69 3hhq s GLN 37 Ca 0.34 0.51 -0.29 0.00 0.05 0.00 0.00 55.36 55.97 3hhq s GLN 37 Cb 0.21 0.35 -0.10 0.00 1.10 0.00 0.00 33.01 34.56 3hhq s GLN 37 CO 0.32 -0.16 1.32 -0.51 -0.55 0.00 0.00 175.29 175.72 3hhq s ASP 38 N -0.35 6.80 -0.13 6.67 1.01 -1.26 -3.96 116.67 125.45 3hhq s ASP 38 Ca -0.02 2.60 -0.23 0.00 0.71 0.00 0.00 52.55 55.61 3hhq s ASP 38 Cb -0.03 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.32 3hhq s ASP 38 CO 0.01 -0.55 0.57 -0.51 0.21 0.00 0.00 175.17 174.90 3hhq s ILE 39 N -0.65 0.01 -0.13 0.77 1.10 0.23 -4.95 121.20 117.58 3hhq s ILE 39 Ca 0.52 -0.08 -0.01 0.00 -0.51 0.00 0.00 60.65 60.57 3hhq s ILE 39 Cb -0.39 -0.85 -0.02 0.00 0.15 0.00 0.00 42.46 41.35 3hhq s ILE 39 CO 0.47 -0.05 -0.10 -0.89 -2.11 0.00 0.00 174.94 172.27 3hhq s THR 40 N -0.50 3.37 -0.32 4.00 2.01 -1.26 0.71 115.64 123.64 3hhq s THR 40 Ca -0.06 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3hhq s THR 40 Cb -0.03 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3hhq s THR 40 CO 0.05 0.52 0.21 -0.63 -0.69 0.00 0.00 174.62 174.08 3hhq s ILE 41 N 0.23 5.11 0.67 1.82 -1.09 -0.18 -4.91 121.20 122.86 3hhq s ILE 41 Ca -0.06 -0.20 -0.13 0.00 -2.23 0.00 0.00 60.65 58.03 3hhq s ILE 41 Cb -0.15 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 3hhq s ILE 41 CO 0.04 0.06 1.08 -2.16 -1.23 0.00 0.00 174.94 172.73 3hhq s PRO 42 N 1.70 2.89 0.51 2.79 0.04 -1.26 -0.26 135.00 141.41 3hhq s PRO 42 Ca 0.06 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 3hhq s PRO 42 Cb -0.17 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3hhq s PRO 42 CO 0.09 -1.15 0.93 0.00 0.04 0.00 0.00 177.00 176.91 3hhq n ALA 43 N -2.71 0.03 -3.06 8.56 0.00 -1.26 -1.95 120.51 120.12 3hhq n ALA 43 Ca 0.09 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 3hhq n ALA 43 Cb 0.53 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.34 -2.52 0.00 0.00 2.81 -0.41 -4.85 117.12 111.82 3hhq n MET 44 Ca 0.11 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3hhq n MET 44 Cb 0.44 -4.76 0.00 0.00 -0.71 0.00 0.00 33.22 28.18 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 -0.78 5.67 3.39 3.03 0.00 -0.82 -4.95 105.19 110.73 3hhq n GLY 45 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 1.27 1.33 0.13 1.61 -2.07 -1.26 -0.18 119.66 120.49 3hhq s GLN 46 Ca 0.00 -1.36 -0.25 0.00 -1.82 0.00 0.00 55.36 51.92 3hhq s GLN 46 Cb 0.00 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.37 3hhq s GLN 46 CO 0.00 -0.50 0.87 0.20 -1.32 0.00 0.00 175.29 174.54 3hhq s GLY 47 N -3.05 -0.31 -0.14 2.60 0.00 -0.66 -4.46 107.32 101.29 3hhq s GLY 47 Ca 0.27 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.34 3hhq s GLY 47 CO 0.08 0.09 -0.20 1.06 0.00 0.00 0.00 173.10 174.13 3hhq s MET 48 N -3.37 2.82 -0.15 2.90 -1.94 -1.26 -1.25 119.30 117.04 3hhq s MET 48 Ca 0.09 -0.78 -0.13 0.00 -1.71 0.00 0.00 55.69 53.17 3hhq s MET 48 Cb -0.02 -2.34 -0.05 0.00 2.01 0.00 0.00 34.83 34.43 3hhq s MET 48 CO -0.02 -0.08 0.27 0.08 -0.01 0.00 0.00 175.02 175.26 3hhq s VAL 49 N 1.00 5.31 0.28 -6.03 1.01 0.61 -4.87 120.40 117.72 3hhq s VAL 49 Ca -0.03 0.50 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 3hhq s VAL 49 Cb -0.15 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 3hhq s VAL 49 CO -0.05 0.43 0.79 -0.44 0.00 0.00 0.00 175.10 175.84 3hhq s SER 50 N 0.19 7.05 -0.00 3.32 0.01 -1.26 -0.70 113.70 122.30 3hhq s SER 50 Ca 0.16 1.50 0.01 0.00 1.31 0.00 0.00 55.95 58.94 3hhq s SER 50 Cb -0.13 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 3hhq s SER 50 CO 0.04 -0.07 0.03 0.35 0.41 0.00 0.00 173.24 174.00 3hhq n THR 51 N 0.35 0.00 -3.23 1.44 -2.24 -1.25 -0.70 114.28 108.65 3hhq n THR 51 Ca 0.01 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 3hhq n THR 51 Cb 0.52 0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.49 -3.73 -4.31 3.42 8.00 -1.26 -4.25 116.55 112.94 3hhq n ASP 52 Ca -0.00 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.97 3hhq n ASP 52 Cb 0.03 -3.10 -0.12 0.00 -0.02 0.00 0.00 41.12 37.92 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 -2.88 1.77 0.23 0.53 -4.36 -1.26 0.16 121.20 115.39 3hhq s ILE 53 Ca 0.34 -1.75 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 3hhq s ILE 53 Cb -0.18 -1.71 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 3hhq s ILE 53 CO 0.42 -0.20 -0.08 -0.44 0.24 0.00 0.00 174.94 174.88 3hhq s SER 54 N -2.32 2.40 0.08 4.36 0.01 -0.55 -0.74 113.70 116.95 3hhq s SER 54 Ca 0.11 -1.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.06 3hhq s SER 54 Cb -0.08 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.10 3hhq s SER 54 CO 0.05 -0.32 0.47 0.72 0.41 0.00 0.00 173.24 174.58 3hhq s PHE 55 N -3.12 -0.34 -0.26 2.43 -0.71 -1.26 -0.53 117.98 114.19 3hhq s PHE 55 Ca 0.25 0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 56.35 3hhq s PHE 55 Cb 0.02 0.32 0.02 0.00 -1.21 0.00 0.00 43.02 42.17 3hhq s PHE 55 CO 0.08 -0.67 -0.01 0.99 -1.34 0.00 0.00 175.22 174.28 3hhq s THR 56 N -2.99 3.33 0.71 -4.49 2.01 -0.31 -4.79 115.64 109.11 3hhq s THR 56 Ca -0.02 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 3hhq s THR 56 Cb 0.00 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.84 3hhq s THR 56 CO -0.06 0.17 1.07 0.68 -0.69 0.00 0.00 174.62 175.79 3hhq s VAL 57 N 1.40 3.77 0.64 3.82 -7.23 -1.26 -2.17 120.40 119.37 3hhq s VAL 57 Ca 0.01 0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 3hhq s VAL 57 Cb -0.17 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 3hhq s VAL 57 CO -0.02 -0.72 1.25 -2.84 -0.31 0.00 0.00 175.10 172.46 3hhq s PRO 58 N -4.89 2.67 0.02 4.82 0.02 -1.25 -4.92 135.00 131.47 3hhq s PRO 58 Ca 0.60 1.94 -0.38 0.00 0.02 0.00 0.00 61.00 63.18 3hhq s PRO 58 Cb -0.15 -1.87 -0.18 0.00 0.02 0.00 0.00 34.50 32.32 3hhq s PRO 58 CO 0.53 -1.48 1.30 0.28 -0.33 0.00 0.00 177.00 177.30 3hhq n VAL 59 N -1.87 0.02 -0.45 3.83 0.31 -1.26 -2.04 118.33 116.86 3hhq n VAL 59 Ca 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3hhq n VAL 59 Cb 0.49 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 2.37 0.77 3.59 2.92 0.00 -1.26 -5.02 105.19 108.56 3hhq n GLY 60 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.07 1.43 0.21 2.61 -4.23 -0.87 -1.31 115.64 111.41 3hhq s THR 61 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3hhq s THR 61 Cb 0.00 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 3hhq s THR 61 CO 0.00 0.00 0.07 -0.72 -0.54 0.00 0.00 174.62 173.43 3hhq s TYR 62 N -2.97 1.32 -0.38 3.99 1.13 -0.77 -4.60 117.35 115.08 3hhq s TYR 62 Ca 0.28 -1.16 -0.19 0.00 -1.41 0.00 0.00 57.07 54.58 3hhq s TYR 62 Cb 0.07 -0.75 0.01 0.00 -1.10 0.00 0.00 41.96 40.19 3hhq s TYR 62 CO 0.14 -0.36 0.55 0.20 -2.51 0.00 0.00 175.55 173.57 3hhq s GLY 63 N -3.22 1.79 -0.17 5.49 0.00 -0.10 -1.77 107.32 109.33 3hhq s GLY 63 Ca 0.32 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 3hhq s GLY 63 CO 0.09 1.34 0.67 -1.60 0.00 0.00 0.00 173.10 173.60 3hhq s ARG 64 N 2.50 4.26 -0.43 2.90 3.52 0.10 -1.29 118.95 130.51 3hhq s ARG 64 Ca 0.19 0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 3hhq s ARG 64 Cb -0.15 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3hhq s ARG 64 CO 0.15 -0.20 1.31 0.42 -0.81 0.00 0.00 175.30 176.16 3hhq s ILE 65 N 1.77 4.02 0.20 4.11 -1.09 0.48 -0.75 121.20 129.94 3hhq s ILE 65 Ca 0.31 1.05 0.10 0.00 -2.23 0.00 0.00 60.65 59.88 3hhq s ILE 65 Cb -0.16 -4.35 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 3hhq s ILE 65 CO 0.12 -0.84 -0.16 0.00 -1.23 0.00 0.00 174.94 172.82 3hhq s ALA 66 N 5.04 2.77 0.44 9.38 0.00 0.64 -4.72 121.76 135.31 3hhq s ALA 66 Ca 0.56 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 3hhq s ALA 66 Cb -0.11 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 3hhq s ALA 66 CO 0.32 0.42 1.09 -1.25 0.00 0.00 0.00 175.76 176.34 3hhq s PRO 67 N -2.90 3.92 0.27 0.00 0.04 -1.26 -0.72 135.00 134.35 3hhq s PRO 67 Ca 0.24 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 3hhq s PRO 67 Cb -0.08 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 3hhq s PRO 67 CO 0.13 -0.37 1.13 1.03 0.04 0.00 0.00 177.00 178.96 3hhq s ARG 68 N -2.72 4.60 0.19 4.56 0.52 -1.26 -4.65 118.95 120.19 3hhq s ARG 68 Ca 0.62 1.84 0.04 0.00 -0.52 0.00 0.00 55.73 57.72 3hhq s ARG 68 Cb -0.24 -3.19 0.06 0.00 0.52 0.00 0.00 34.95 32.11 3hhq s ARG 68 CO 0.29 0.15 1.43 0.77 0.02 0.00 0.00 175.30 177.95 3hhq h SER 69 N 3.95 0.20 -0.34 0.23 0.02 -1.96 -2.66 113.55 113.00 3hhq h SER 69 Ca -0.47 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.22 3hhq h SER 69 Cb 1.21 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3hhq h SER 69 CO 0.68 0.93 -0.24 1.23 -1.14 0.00 0.00 176.83 178.28 3hhq h GLY 70 N 1.90 0.82 0.94 -3.77 0.00 -1.98 -1.44 103.07 99.54 3hhq h GLY 70 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 3hhq h GLY 70 CO 0.12 0.72 0.04 1.41 0.00 0.00 0.00 176.54 178.82 3hhq h LEU 71 N 0.53 0.67 -1.15 3.11 3.38 -1.93 0.43 115.31 120.35 3hhq h LEU 71 Ca 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3hhq h LEU 71 Cb 0.80 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3hhq h LEU 71 CO 0.06 0.78 0.55 0.00 0.09 0.00 0.00 178.44 179.92 3hhq h ALA 72 N 0.91 1.38 0.04 1.53 0.00 -1.39 0.28 119.26 122.01 3hhq h ALA 72 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hhq h ALA 72 Cb 0.42 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hhq h ALA 72 CO 0.01 0.57 -0.23 0.28 0.00 0.00 0.00 179.25 179.88 3hhq h VAL 73 N 1.15 1.71 0.00 0.00 2.07 -1.07 -2.85 116.25 117.25 3hhq h VAL 73 Ca 0.31 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 3hhq h VAL 73 Cb -0.11 3.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3hhq h VAL 73 CO -0.06 0.63 -0.77 0.11 0.02 0.00 0.00 177.57 177.50 3hhq h LYS 74 N -0.81 0.00 0.00 1.57 1.57 -0.15 -3.40 116.57 115.35 3hhq h LYS 74 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hhq h LYS 74 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hhq h LYS 74 CO 0.04 0.07 -0.42 0.09 -0.57 0.00 0.00 179.45 178.67 3hhq n ASN 75 N -2.85 2.08 0.00 0.86 3.02 0.87 -5.03 115.26 114.21 3hhq n ASN 75 Ca -0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3hhq n ASN 75 Cb 0.60 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 3hhq n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhq n GLY 76 N 1.30 0.80 3.77 7.41 0.00 -0.49 -4.35 105.19 113.61 3hhq n GLY 76 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 5.39 -0.02 -0.61 -1.09 -1.16 0.38 121.20 122.10 3hhq s ILE 77 Ca 0.00 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 3hhq s ILE 77 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 3hhq s ILE 77 CO 0.00 0.47 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.48 3hhq s GLN 78 N 0.04 1.11 0.36 2.79 2.00 -0.21 -3.69 119.66 122.06 3hhq s GLN 78 Ca 0.12 -0.45 -0.26 0.00 -2.00 0.00 0.00 55.36 52.78 3hhq s GLN 78 Cb -0.12 -1.05 -0.09 0.00 0.80 0.00 0.00 33.01 32.55 3hhq s GLN 78 CO 0.01 0.24 1.05 0.95 -0.50 0.00 0.00 175.29 177.04 3hhq s THR 79 N -0.17 3.71 0.46 -0.34 -4.23 -1.26 -0.46 115.64 113.35 3hhq s THR 79 Ca 0.02 1.43 0.06 0.00 -1.18 0.00 0.00 61.69 62.02 3hhq s THR 79 Cb -0.06 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 3hhq s THR 79 CO -0.00 0.12 0.25 -0.83 -0.54 0.00 0.00 174.62 173.62 3hhq s GLY 80 N -1.39 2.39 0.00 3.99 0.00 0.10 -4.80 107.32 107.61 3hhq s GLY 80 Ca 0.53 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3hhq s GLY 80 CO 0.31 -1.92 0.00 0.00 0.00 0.00 0.00 173.10 171.49 3hhq n ALA 81 N -1.43 0.00 -0.15 3.20 0.00 -1.26 -4.38 120.51 116.49 3hhq n ALA 81 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hhq n ALA 81 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.65 3.37 0.00 0.00 -1.26 -4.94 105.19 103.02 3hhq n GLY 82 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.24 5.18 -0.27 1.61 1.01 -1.26 -0.39 120.40 124.05 3hhq s VAL 83 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 3hhq s VAL 83 Cb 0.00 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3hhq s VAL 83 CO 0.00 -0.60 0.05 -0.69 0.00 0.00 0.00 175.10 173.85 3hhq s VAL 84 N 1.63 3.88 0.51 2.92 1.01 -0.41 -4.99 120.40 124.94 3hhq s VAL 84 Ca 0.04 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3hhq s VAL 84 Cb -0.25 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 3hhq s VAL 84 CO 0.06 0.22 1.04 -1.81 0.00 0.00 0.00 175.10 174.61 3hhq s ASP 85 N 1.52 6.22 0.44 3.32 -0.00 -1.26 -0.93 116.67 125.98 3hhq s ASP 85 Ca 0.04 1.91 0.10 0.00 -0.00 0.00 0.00 52.55 54.60 3hhq s ASP 85 Cb -0.16 -2.55 0.97 0.00 -0.00 0.00 0.00 42.92 41.18 3hhq s ASP 85 CO 0.01 -0.87 2.08 -0.09 -0.00 0.00 0.00 175.17 176.31 3hhq h ARG 86 N 1.32 0.40 -0.02 8.23 2.43 -1.92 -1.56 114.38 123.26 3hhq h ARG 86 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3hhq h ARG 86 Cb 1.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3hhq h ARG 86 CO 0.59 0.26 0.00 -0.40 -1.51 0.00 0.00 179.97 178.91 3hhq n ASP 87 N -4.49 0.67 -4.71 -3.80 3.85 -1.26 -4.36 116.55 102.45 3hhq n ASP 87 Ca 0.02 -1.27 -0.42 0.00 -0.71 0.00 0.00 54.79 52.41 3hhq n ASP 87 Cb 0.08 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 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 -1.99 3.41 0.00 2.11 5.04 -0.59 -4.91 117.35 120.42 3hhq s TYR 88 Ca 0.41 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3hhq s TYR 88 Cb 0.21 -3.46 0.00 0.00 0.35 0.00 0.00 41.96 39.06 3hhq s TYR 88 CO 0.34 -1.44 0.41 0.25 -1.34 0.00 0.00 175.55 173.77 3hhq n THR 89 N 3.87 0.00 -2.03 4.34 -2.24 -1.26 -4.58 114.28 112.38 3hhq n THR 89 Ca 0.09 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 3hhq n THR 89 Cb 0.46 1.08 0.14 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.09 1.73 0.22 3.38 0.00 -1.26 -4.90 107.32 106.40 3hhq s GLY 90 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 44.72 43.29 3hhq s GLY 90 CO 0.00 -0.47 1.62 -2.21 0.00 0.00 0.00 173.10 172.04 3hhq n GLU 91 N -3.46 2.50 -2.72 2.90 2.13 -1.26 -4.54 120.64 116.18 3hhq n GLU 91 Ca 0.13 0.90 -0.42 0.00 0.66 0.00 0.00 57.16 58.42 3hhq n GLU 91 Cb 0.60 -2.68 -0.03 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 0.68 4.15 0.18 6.31 1.01 0.08 -4.99 120.40 127.82 3hhq s VAL 92 Ca 0.73 0.35 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3hhq s VAL 92 Cb -0.57 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.09 3hhq s VAL 92 CO 0.40 -1.37 0.33 -0.54 0.00 0.00 0.00 175.10 173.91 3hhq s LYS 93 N 4.57 3.46 -0.20 2.72 1.02 -1.26 -3.96 119.74 126.09 3hhq s LYS 93 Ca 0.33 -0.53 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 3hhq s LYS 93 Cb -0.11 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3hhq s LYS 93 CO 0.18 0.46 -0.01 0.08 -0.92 0.00 0.00 175.35 175.14 3hhq s VAL 94 N -1.82 3.84 -0.18 3.17 1.01 0.12 -4.87 120.40 121.66 3hhq s VAL 94 Ca 0.36 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3hhq s VAL 94 Cb -0.11 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3hhq s VAL 94 CO 0.29 0.43 0.77 -0.69 0.00 0.00 0.00 175.10 175.91 3hhq s VAL 95 N 1.00 4.92 -0.15 2.92 1.01 -1.26 -0.28 120.40 128.55 3hhq s VAL 95 Ca 0.01 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.52 3hhq s VAL 95 Cb -0.14 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3hhq s VAL 95 CO 0.01 0.05 -0.21 -0.76 0.00 0.00 0.00 175.10 174.19 3hhq s LEU 96 N 2.11 2.13 -0.14 3.92 1.43 -0.38 0.02 118.68 127.76 3hhq s LEU 96 Ca 0.35 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3hhq s LEU 96 Cb -0.16 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 3hhq s LEU 96 CO 0.12 0.06 0.32 -0.36 0.23 0.00 0.00 176.35 176.72 3hhq s PHE 97 N 0.91 3.49 -0.31 0.29 0.40 0.39 -1.65 117.98 121.49 3hhq s PHE 97 Ca -0.05 0.66 -0.10 0.00 -0.60 0.00 0.00 56.93 56.84 3hhq s PHE 97 Cb -0.15 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 3hhq s PHE 97 CO -0.04 0.27 0.16 1.21 0.70 0.00 0.00 175.22 177.52 3hhq s ASN 98 N 0.35 5.62 0.00 1.36 3.84 0.74 -1.04 114.94 125.81 3hhq s ASN 98 Ca 0.18 -0.49 0.20 0.00 0.21 0.00 0.00 52.86 52.96 3hhq s ASN 98 Cb -0.13 -2.02 0.31 0.00 -0.55 0.00 0.00 41.25 38.86 3hhq s ASN 98 CO 0.05 -0.19 1.27 1.41 -2.79 0.00 0.00 177.10 176.85 3hhq n HIS 99 N 5.00 0.32 -2.19 0.43 8.25 0.16 -1.98 115.22 125.21 3hhq n HIS 99 Ca -0.14 -0.19 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 3hhq n HIS 99 Cb 0.49 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.44 4.83 0.19 0.41 1.04 -1.25 -4.74 113.70 112.73 3hhq s SER 100 Ca 0.31 0.48 0.26 0.00 0.48 0.00 0.00 55.95 57.48 3hhq s SER 100 Cb 0.19 -1.13 0.69 0.00 0.10 0.00 0.00 66.02 65.86 3hhq s SER 100 CO 0.27 -1.59 1.66 0.00 0.98 0.00 0.00 173.24 174.55 3hhq n GLN 101 N -2.93 0.27 -3.67 4.02 1.13 -1.26 -1.29 117.38 113.66 3hhq n GLN 101 Ca 0.08 0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.95 3hhq n GLN 101 Cb 0.60 -1.78 -0.06 0.00 0.11 0.00 0.00 30.24 29.11 3hhq n GLN 101 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hhq s ARG 102 N -3.12 3.77 0.55 -1.09 0.52 -1.26 -4.75 118.95 113.57 3hhq s ARG 102 Ca 0.10 0.13 -0.22 0.00 -0.52 0.00 0.00 55.73 55.22 3hhq s ARG 102 Cb 0.13 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3hhq s ARG 102 CO 0.63 0.65 1.30 -0.25 0.02 0.00 0.00 175.30 177.65 3hhq n ASP 103 N 2.18 2.40 -4.21 0.23 10.43 -1.26 -4.12 116.55 122.19 3hhq n ASP 103 Ca -0.16 0.96 -0.38 0.00 2.57 0.00 0.00 54.79 57.78 3hhq n ASP 103 Cb 0.53 -1.54 -0.11 0.00 1.84 0.00 0.00 41.12 41.84 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 -1.31 3.38 -0.16 1.24 5.99 0.64 -4.91 117.98 122.86 3hhq s PHE 104 Ca 0.72 -1.83 -0.29 0.00 0.00 0.00 0.00 56.93 55.52 3hhq s PHE 104 Cb -0.43 -2.78 -0.02 0.00 0.00 0.00 0.00 43.02 39.80 3hhq s PHE 104 CO 0.49 -0.86 1.34 0.00 -0.00 0.00 0.00 175.22 176.20 3hhq s ALA 105 N 1.31 3.63 -0.08 11.12 0.00 -1.26 -1.01 121.76 135.47 3hhq s ALA 105 Ca 0.02 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.53 3hhq s ALA 105 Cb -0.22 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3hhq s ALA 105 CO -0.00 -1.27 -0.15 0.42 0.00 0.00 0.00 175.76 174.76 3hhq s ILE 106 N 3.69 2.98 0.11 0.00 1.01 0.22 -4.99 121.20 124.23 3hhq s ILE 106 Ca 0.58 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.58 3hhq s ILE 106 Cb -0.23 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3hhq s ILE 106 CO 0.18 0.57 -0.11 -0.54 0.00 0.00 0.00 174.94 175.04 3hhq s LYS 107 N -0.34 2.09 0.19 2.79 -0.14 -1.26 -0.60 119.74 122.46 3hhq s LYS 107 Ca 0.03 -1.07 -0.32 0.00 -1.36 0.00 0.00 55.97 53.25 3hhq s LYS 107 Cb -0.13 -2.27 -0.15 0.00 -1.68 0.00 0.00 37.83 33.60 3hhq s LYS 107 CO 0.02 0.50 1.27 1.17 -0.76 0.00 0.00 175.35 177.55 3hhq n LYS 108 N 0.62 1.50 0.00 1.68 4.81 -1.25 -1.61 118.16 123.91 3hhq n LYS 108 Ca -0.13 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3hhq n LYS 108 Cb 0.53 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.47 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 2.14 3.00 3.76 3.14 0.00 -0.02 -4.91 105.19 112.30 3hhq n GLY 109 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3hhq n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhq s ASP 110 N -1.17 6.97 -0.06 1.61 1.01 -0.64 -4.75 116.67 119.65 3hhq s ASP 110 Ca 0.00 2.39 -0.28 0.00 0.71 0.00 0.00 52.55 55.37 3hhq s ASP 110 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3hhq s ASP 110 CO 0.00 -0.37 0.89 -0.13 0.21 0.00 0.00 175.17 175.78 3hhq s ARG 111 N -1.75 4.47 0.00 8.23 0.52 -1.26 -0.67 118.95 128.49 3hhq s ARG 111 Ca 0.49 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 3hhq s ARG 111 Cb -0.33 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.65 3hhq s ARG 111 CO 0.43 -0.10 0.00 1.33 0.02 0.00 0.00 175.30 176.98 3hhq n VAL 112 N 4.08 0.00 -3.86 3.52 0.24 0.33 -4.95 118.33 117.69 3hhq n VAL 112 Ca 0.04 -0.11 -0.05 0.00 -2.04 0.00 0.00 64.34 62.18 3hhq n VAL 112 Cb 0.50 0.58 0.02 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.51 -1.26 0.10 2.33 0.00 -1.22 -4.62 121.76 115.57 3hhq s ALA 113 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3hhq s ALA 113 Cb 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3hhq s ALA 113 CO 0.00 -1.04 -0.17 1.14 0.00 0.00 0.00 175.76 175.69 3hhq s GLN 114 N -2.10 1.01 -0.25 0.00 -2.07 0.10 -0.66 119.66 115.69 3hhq s GLN 114 Ca 0.20 -1.12 -0.09 0.00 -1.82 0.00 0.00 55.36 52.54 3hhq s GLN 114 Cb -0.04 -1.10 -0.04 0.00 -1.09 0.00 0.00 33.01 30.75 3hhq s GLN 114 CO 0.08 0.24 0.11 -1.17 -1.32 0.00 0.00 175.29 173.23 3hhq s LEU 115 N -2.00 3.71 -0.13 2.60 2.96 0.82 -0.26 118.68 126.38 3hhq s LEU 115 Ca 0.04 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3hhq s LEU 115 Cb -0.09 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3hhq s LEU 115 CO 0.03 -0.01 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.38 3hhq s ILE 116 N 1.48 3.85 -1.08 6.68 1.01 0.07 -1.28 121.20 131.93 3hhq s ILE 116 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3hhq s ILE 116 Cb -0.15 -2.66 0.16 0.00 0.01 0.00 0.00 42.46 39.83 3hhq s ILE 116 CO 0.06 0.53 1.27 -0.76 0.00 0.00 0.00 174.94 176.04 3hhq s LEU 117 N -0.01 5.18 -0.04 2.97 1.43 -1.26 0.03 118.68 126.98 3hhq s LEU 117 Ca 0.01 -2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 50.17 3hhq s LEU 117 Cb -0.13 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3hhq s LEU 117 CO 0.03 -0.84 1.16 -1.61 0.23 0.00 0.00 176.35 175.31 3hhq s GLU 118 N 1.83 4.39 0.28 1.70 0.41 -0.73 -4.84 118.70 121.73 3hhq s GLU 118 Ca 0.37 1.63 -0.28 0.00 -0.41 0.00 0.00 54.97 56.28 3hhq s GLU 118 Cb -0.04 -3.52 -0.09 0.00 -1.78 0.00 0.00 34.13 28.69 3hhq s GLU 118 CO -0.04 -0.38 0.94 0.15 -0.49 0.00 0.00 175.26 175.44 3hhq s LYS 119 N 1.95 4.72 0.10 1.61 1.02 -1.26 -1.84 119.74 126.04 3hhq s LYS 119 Ca 0.55 1.41 -0.05 0.00 0.02 0.00 0.00 55.97 57.90 3hhq s LYS 119 Cb -0.24 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3hhq s LYS 119 CO 0.23 0.40 0.12 0.96 -0.92 0.00 0.00 175.35 176.13 3hhq s ILE 120 N -1.40 0.14 -0.33 2.17 -4.36 -0.43 -4.96 121.20 112.04 3hhq s ILE 120 Ca 0.46 -1.57 -0.22 0.00 -0.26 0.00 0.00 60.65 59.06 3hhq s ILE 120 Cb -0.22 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.82 3hhq s ILE 120 CO 0.28 -0.62 0.71 -0.69 0.24 0.00 0.00 174.94 174.85 3hhq s VAL 121 N -3.94 4.85 -0.98 8.37 1.01 -1.26 -4.70 120.40 123.74 3hhq s VAL 121 Ca 0.13 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.11 3hhq s VAL 121 Cb 0.06 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hhq s VAL 121 CO -0.05 -0.26 0.66 -0.90 0.00 0.00 0.00 175.10 174.55 3hhq n ASP 122 N 6.11 1.31 -1.40 3.32 3.85 -1.26 -4.52 116.55 123.96 3hhq n ASP 122 Ca 0.01 -1.16 -0.11 0.00 -0.71 0.00 0.00 54.79 52.83 3hhq n ASP 122 Cb 0.48 0.41 0.10 0.00 -1.35 0.00 0.00 41.12 40.76 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 -0.14 3.52 -4.72 -1.12 3.85 -1.26 -5.06 116.55 111.63 3hhq n ASP 123 Ca 0.04 -3.82 -0.42 0.00 -0.71 0.00 0.00 54.79 49.89 3hhq n ASP 123 Cb 0.22 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq s ALA 124 N -3.44 3.36 0.04 2.12 0.00 -1.26 -5.02 121.76 117.55 3hhq s ALA 124 Ca 0.45 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 3hhq s ALA 124 Cb 0.39 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 3hhq s ALA 124 CO -0.01 -0.37 0.80 1.14 0.00 0.00 0.00 175.76 177.32 3hhq s GLN 125 N 0.75 4.52 -0.12 0.00 -2.07 -1.26 -5.01 119.66 116.47 3hhq s GLN 125 Ca 0.56 1.12 -0.26 0.00 -1.82 0.00 0.00 55.36 54.96 3hhq s GLN 125 Cb -0.28 -3.38 -0.02 0.00 -1.09 0.00 0.00 33.01 28.24 3hhq s GLN 125 CO 0.30 0.23 0.84 0.42 -1.32 0.00 0.00 175.29 175.76 3hhq s ILE 126 N 0.10 4.91 -0.18 3.63 1.01 -1.26 -5.03 121.20 124.38 3hhq s ILE 126 Ca 0.40 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.73 3hhq s ILE 126 Cb -0.21 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.12 3hhq s ILE 126 CO 0.24 0.09 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 3hhq s VAL 127 N 1.71 2.53 -0.18 2.92 1.01 -1.26 -5.11 120.40 122.02 3hhq s VAL 127 Ca 0.41 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3hhq s VAL 127 Cb -0.17 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3hhq s VAL 127 CO 0.16 0.51 0.93 -0.69 0.00 0.00 0.00 175.10 176.00 3hhq s VAL 128 N 1.13 4.80 0.29 2.92 1.01 -1.26 -5.06 120.40 124.23 3hhq s VAL 128 Ca 0.01 1.82 0.09 0.00 0.00 0.00 0.00 61.98 63.90 3hhq s VAL 128 Cb -0.14 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3hhq s VAL 128 CO -0.06 -0.05 -0.12 0.68 0.00 0.00 0.00 175.10 175.56 3hhq s VAL 129 N 2.50 2.08 0.11 2.92 -7.23 -1.26 -5.05 120.40 114.47 3hhq s VAL 129 Ca 0.42 -2.24 0.10 0.00 -1.81 0.00 0.00 61.98 58.45 3hhq s VAL 129 Cb -0.16 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.25 3hhq s VAL 129 CO 0.11 -0.33 1.41 0.44 -0.31 0.00 0.00 175.10 176.43 3hhq h ASP 130 N 2.22 0.00 -4.06 4.85 3.32 -2.09 -3.47 116.42 117.19 3hhq h ASP 130 Ca -0.40 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3hhq h ASP 130 Cb 1.24 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.56 3hhq h ASP 130 CO 0.66 0.79 -0.20 -0.55 -1.72 0.00 0.00 179.24 178.22 3hhq s SER 131 N -6.67 -0.43 0.01 6.45 0.15 -1.26 -5.04 113.70 106.91 3hhq s SER 131 Ca 0.01 0.78 0.22 0.00 0.70 0.00 0.00 55.95 57.66 3hhq s SER 131 Cb 0.10 0.81 -0.07 0.00 -1.71 0.00 0.00 66.02 65.15 3hhq s SER 131 CO 0.78 -0.20 0.94 0.18 1.20 0.00 0.00 173.24 176.14 3hhq n LEU 132 N 2.59 0.66 0.00 3.45 4.77 -1.26 -5.21 117.00 122.00 3hhq n LEU 132 Ca -0.14 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hhq n LEU 132 Cb 0.57 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hhq n LEU 132 CO 0.14 0.13 0.25 1.21 -1.33 0.00 0.00 177.39 177.79