#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mpd s GLU 2 N 0.00 3.02 0.19 0.03 2.12 -1.23 -4.73 118.70 118.10 3mpd s GLU 2 Ca 0.00 2.18 0.07 0.00 0.36 0.00 0.00 54.97 57.59 3mpd s GLU 2 Cb 0.00 -2.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 3mpd s GLU 2 CO 0.00 -1.27 -0.14 -0.98 -0.54 0.00 0.00 175.26 172.33 3mpd s ARG 3 N -3.02 1.28 0.01 4.30 1.70 -1.26 -1.28 118.95 120.68 3mpd s ARG 3 Ca 0.74 -1.56 -0.04 0.00 -0.47 0.00 0.00 55.73 54.41 3mpd s ARG 3 Cb -0.39 -1.05 -0.01 0.00 -0.57 0.00 0.00 34.95 32.92 3mpd s ARG 3 CO 0.45 0.17 0.05 -0.08 -1.08 0.00 0.00 175.30 174.82 3mpd s THR 4 N -2.98 0.10 -0.24 4.99 -1.32 -0.54 -4.64 115.64 111.01 3mpd s THR 4 Ca 0.21 -0.84 -0.10 0.00 -1.21 0.00 0.00 61.69 59.75 3mpd s THR 4 Cb -0.01 -0.39 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 3mpd s THR 4 CO 0.06 -0.46 0.16 0.12 -2.21 0.00 0.00 174.62 172.29 3mpd s PHE 5 N -1.52 3.30 -0.10 9.09 5.36 -1.26 -2.01 117.98 130.83 3mpd s PHE 5 Ca -0.15 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.04 3mpd s PHE 5 Cb -0.08 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3mpd s PHE 5 CO -0.00 0.03 -0.16 0.42 -1.46 0.00 0.00 175.22 174.05 3mpd s ILE 6 N 1.14 1.52 -0.09 3.12 -1.09 -0.38 -1.78 121.20 123.64 3mpd s ILE 6 Ca 0.07 -0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 57.82 3mpd s ILE 6 Cb -0.14 -1.38 0.02 0.00 -1.58 0.00 0.00 42.46 39.38 3mpd s ILE 6 CO 0.05 0.44 -0.06 -0.32 -1.23 0.00 0.00 174.94 173.82 3mpd s MET 7 N 0.87 1.30 -0.13 2.79 -2.45 -0.04 -0.58 119.30 121.06 3mpd s MET 7 Ca -0.09 -0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 3mpd s MET 7 Cb -0.15 -1.38 -0.01 0.00 1.25 0.00 0.00 34.83 34.54 3mpd s MET 7 CO 0.00 -0.22 1.07 0.42 1.05 0.00 0.00 175.02 177.34 3mpd s ILE 8 N 1.57 4.63 0.62 10.11 1.01 -0.38 -0.16 121.20 138.61 3mpd s ILE 8 Ca 0.01 1.92 -0.13 0.00 0.00 0.00 0.00 60.65 62.45 3mpd s ILE 8 Cb -0.13 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3mpd s ILE 8 CO -0.05 -0.05 1.04 -0.54 0.00 0.00 0.00 174.94 175.34 3mpd s LYS 9 N 2.45 3.30 0.26 2.79 1.02 -0.57 -2.55 119.74 126.45 3mpd s LYS 9 Ca 0.49 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.49 3mpd s LYS 9 Cb -0.19 -2.04 0.48 0.00 -0.52 0.00 0.00 37.83 35.56 3mpd s LYS 9 CO 0.15 -0.81 1.82 -1.35 -0.92 0.00 0.00 175.35 174.25 3mpd h PRO 10 N -0.02 0.88 0.00 -1.68 0.11 -1.83 -1.18 132.00 128.27 3mpd h PRO 10 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3mpd h PRO 10 Cb 1.21 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3mpd h PRO 10 CO 0.58 0.58 -0.38 -0.44 -0.21 0.00 0.00 178.00 178.14 3mpd h ASP 11 N 0.90 0.00 0.56 -2.05 3.32 -1.90 -2.71 116.42 114.55 3mpd h ASP 11 Ca 0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.37 3mpd h ASP 11 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3mpd h ASP 11 CO -0.26 0.38 -0.61 0.00 -1.72 0.00 0.00 179.24 177.03 3mpd h ALA 12 N 1.62 0.97 -0.19 3.45 0.00 -1.48 -0.75 119.26 122.88 3mpd h ALA 12 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mpd h ALA 12 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3mpd h ALA 12 CO 0.05 0.75 0.11 0.82 0.00 0.00 0.00 179.25 180.98 3mpd h ILE 13 N 0.03 1.09 -0.03 0.00 1.08 -1.27 -2.07 117.51 116.35 3mpd h ILE 13 Ca -0.01 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 3mpd h ILE 13 Cb 1.08 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 3mpd h ILE 13 CO 0.08 0.09 -0.28 0.11 -0.69 0.00 0.00 178.15 177.46 3mpd h LYS 14 N 0.21 0.04 0.00 2.37 1.57 -1.24 -0.69 116.57 118.83 3mpd h LYS 14 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mpd h LYS 14 Cb 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3mpd h LYS 14 CO -0.01 0.33 0.00 0.54 -0.57 0.00 0.00 179.45 179.73 3mpd n ARG 15 N -4.19 0.68 -3.31 3.15 1.74 -0.32 -4.93 116.66 109.49 3mpd n ARG 15 Ca -0.02 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 3mpd n ARG 15 Cb 0.34 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.36 3mpd n ARG 15 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mpd n ARG 16 N -1.12 -6.08 -0.21 5.56 1.74 -0.27 -4.92 116.66 111.36 3mpd n ARG 16 Ca 0.18 0.76 0.12 0.00 -0.77 0.00 0.00 57.85 58.14 3mpd n ARG 16 Cb 0.15 -5.52 0.24 0.00 -1.02 0.00 0.00 32.46 26.30 3mpd n ARG 16 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3mpd n LEU 17 N -3.89 3.40 0.07 0.55 4.77 -0.81 -4.66 117.00 116.42 3mpd n LEU 17 Ca -0.23 -1.50 -0.12 0.00 -0.03 0.00 0.00 56.01 54.14 3mpd n LEU 17 Cb 0.64 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3mpd n LEU 17 CO 0.55 0.75 0.69 0.40 -1.33 0.00 0.00 177.39 178.45 3mpd h ILE 18 N 4.29 0.43 -0.39 -0.08 2.04 -1.88 -1.55 117.51 120.37 3mpd h ILE 18 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3mpd h ILE 18 Cb 0.95 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3mpd h ILE 18 CO 0.00 0.00 -0.16 0.77 0.00 0.00 0.00 178.15 178.76 3mpd h SER 19 N -0.40 0.72 -0.39 1.72 4.64 -1.99 -1.54 113.55 116.31 3mpd h SER 19 Ca 0.06 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 3mpd h SER 19 Cb 0.47 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3mpd h SER 19 CO -0.21 0.89 -0.05 0.03 -0.87 0.00 0.00 176.83 176.62 3mpd h ARG 20 N 0.64 0.80 -0.04 4.77 3.08 -1.85 -1.11 114.38 120.68 3mpd h ARG 20 Ca 0.10 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3mpd h ARG 20 Cb 0.64 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3mpd h ARG 20 CO 0.04 0.84 -0.07 0.82 -1.07 0.00 0.00 179.97 180.53 3mpd h ILE 21 N 0.74 1.43 -0.65 2.04 2.04 -1.02 -3.25 117.51 118.84 3mpd h ILE 21 Ca 0.14 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 3mpd h ILE 21 Cb 0.52 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3mpd h ILE 21 CO 0.03 0.37 0.29 0.40 0.00 0.00 0.00 178.15 179.24 3mpd h ILE 22 N -0.39 1.22 -0.90 -0.67 2.04 -1.22 -2.18 117.51 115.41 3mpd h ILE 22 Ca 0.00 -0.63 0.17 0.00 1.00 0.00 0.00 64.86 65.40 3mpd h ILE 22 Cb 0.64 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 3mpd h ILE 22 CO 0.02 0.26 0.48 -0.61 0.00 0.00 0.00 178.15 178.30 3mpd h GLN 23 N 0.92 0.62 -0.70 2.37 4.15 -1.27 -0.58 115.11 120.62 3mpd h GLN 23 Ca 0.22 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3mpd h GLN 23 Cb 0.12 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3mpd h GLN 23 CO -0.03 0.41 0.40 0.00 -1.93 0.00 0.00 178.83 177.69 3mpd h ARG 24 N 0.63 0.96 -0.11 1.69 2.47 -1.43 0.27 114.38 118.88 3mpd h ARG 24 Ca 0.51 -0.10 -0.21 0.00 -1.26 0.00 0.00 59.98 58.92 3mpd h ARG 24 Cb 0.77 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3mpd h ARG 24 CO -0.39 0.70 -0.76 0.74 0.56 0.00 0.00 179.97 180.83 3mpd h PHE 25 N 0.96 0.97 -0.13 3.04 0.04 -1.45 -2.79 116.94 117.58 3mpd h PHE 25 Ca 0.25 -0.45 -0.20 0.00 2.80 0.00 0.00 57.97 60.37 3mpd h PHE 25 Cb 0.00 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3mpd h PHE 25 CO -0.01 1.27 -0.72 1.49 -0.60 0.00 0.00 178.31 179.74 3mpd h GLU 26 N 0.39 0.60 0.00 1.51 4.81 -0.99 -2.70 114.58 118.20 3mpd h GLU 26 Ca -0.06 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 3mpd h GLU 26 Cb 1.40 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 3mpd h GLU 26 CO 0.15 1.09 -0.33 0.93 -0.73 0.00 0.00 179.01 180.13 3mpd h GLU 27 N 0.42 0.00 0.00 1.92 5.08 -1.02 -2.86 114.58 118.12 3mpd h GLU 27 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3mpd h GLU 27 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3mpd h GLU 27 CO 0.14 0.33 0.00 -0.22 -1.00 0.00 0.00 179.01 178.26 3mpd h LYS 28 N 0.00 0.00 0.00 2.33 1.63 -1.37 -3.47 116.57 115.68 3mpd h LYS 28 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3mpd h LYS 28 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3mpd h LYS 28 CO 0.04 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.45 3mpd n GLY 29 N 0.61 0.79 3.80 5.01 0.00 -1.08 -5.10 105.19 109.22 3mpd n GLY 29 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3mpd n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mpd s LEU 30 N 0.00 3.15 -0.23 0.99 1.43 -1.03 -4.97 118.68 118.02 3mpd s LEU 30 Ca 0.00 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 54.78 3mpd s LEU 30 Cb 0.00 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 3mpd s LEU 30 CO 0.00 -1.63 0.01 -0.31 0.23 0.00 0.00 176.35 174.65 3mpd s TYR 31 N -2.89 3.02 0.09 0.29 2.02 0.11 -4.65 117.35 115.34 3mpd s TYR 31 Ca 0.60 -0.69 -0.31 0.00 -0.37 0.00 0.00 57.07 56.30 3mpd s TYR 31 Cb -0.16 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.15 3mpd s TYR 31 CO 0.52 -0.46 1.52 -1.17 -1.57 0.00 0.00 175.55 174.40 3mpd s LEU 32 N 1.54 4.36 0.00 -1.29 2.96 -1.26 -0.02 118.68 124.97 3mpd s LEU 32 Ca 0.06 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 3mpd s LEU 32 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3mpd s LEU 32 CO 0.00 -0.78 0.00 0.00 -1.32 0.00 0.00 176.35 174.25 3mpd n ALA 33 N 4.74 1.90 -3.28 5.97 0.00 0.43 -4.93 120.51 125.34 3mpd n ALA 33 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 3mpd n ALA 33 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 3mpd n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mpd s ALA 34 N -1.87 -1.31 -0.25 0.00 0.00 -1.17 -4.67 121.76 112.49 3mpd s ALA 34 Ca 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3mpd s ALA 34 Cb 0.00 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.65 3mpd s ALA 34 CO 0.00 -0.54 0.64 0.45 0.00 0.00 0.00 175.76 176.31 3mpd s SER 35 N -2.13 -0.74 -0.27 0.00 0.15 -1.25 -1.26 113.70 108.20 3mpd s SER 35 Ca -0.04 1.34 -0.17 0.00 0.70 0.00 0.00 55.95 57.78 3mpd s SER 35 Cb -0.00 1.30 0.08 0.00 -1.71 0.00 0.00 66.02 65.69 3mpd s SER 35 CO -0.04 -0.23 0.67 -0.75 1.20 0.00 0.00 173.24 174.09 3mpd s LYS 36 N 0.80 0.70 -0.15 5.44 2.20 0.45 -4.99 119.74 124.19 3mpd s LYS 36 Ca -0.04 1.16 -0.22 0.00 -0.36 0.00 0.00 55.97 56.51 3mpd s LYS 36 Cb -0.05 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 3mpd s LYS 36 CO -0.06 -0.14 0.67 0.00 -0.36 0.00 0.00 175.35 175.46 3mpd s VAL 38 N 1.58 0.03 -0.51 0.00 1.01 -0.69 -4.97 120.40 116.85 3mpd s VAL 38 Ca 0.32 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 3mpd s VAL 38 Cb -0.16 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.18 3mpd s VAL 38 CO 0.13 -0.14 0.79 -0.63 0.00 0.00 0.00 175.10 175.25 3mpd s ILE 39 N -0.40 4.63 0.35 2.22 1.09 -1.26 -0.32 121.20 127.50 3mpd s ILE 39 Ca -0.04 0.03 -0.28 0.00 -1.10 0.00 0.00 60.65 59.25 3mpd s ILE 39 Cb -0.03 -4.40 -0.11 0.00 -1.06 0.00 0.00 42.46 36.87 3mpd s ILE 39 CO -0.00 -0.91 1.42 -2.84 -0.10 0.00 0.00 174.94 172.51 3mpd s PRO 40 N 3.31 4.21 0.18 2.79 0.02 -1.26 -5.00 135.00 139.25 3mpd s PRO 40 Ca 0.25 2.43 -0.21 0.00 0.02 0.00 0.00 61.00 63.48 3mpd s PRO 40 Cb -0.15 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 3mpd s PRO 40 CO 0.17 -0.40 0.71 0.15 -0.33 0.00 0.00 177.00 177.30 3mpd s LYS 41 N -1.85 4.34 0.24 5.54 -0.14 -1.26 -4.84 119.74 121.76 3mpd s LYS 41 Ca 0.52 0.93 -0.06 0.00 -1.36 0.00 0.00 55.97 56.01 3mpd s LYS 41 Cb -0.44 -3.06 0.43 0.00 -1.68 0.00 0.00 37.83 33.08 3mpd s LYS 41 CO 0.58 0.49 1.71 -0.09 -0.76 0.00 0.00 175.35 177.28 3mpd h ARG 42 N 3.88 0.33 -0.37 1.68 2.43 -1.97 -2.08 114.38 118.27 3mpd h ARG 42 Ca -0.48 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3mpd h ARG 42 Cb 1.20 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 3mpd h ARG 42 CO 0.65 0.22 0.13 0.93 -1.51 0.00 0.00 179.97 180.38 3mpd h GLU 43 N 0.34 0.57 -0.72 0.20 3.07 -1.99 -1.79 114.58 114.25 3mpd h GLU 43 Ca 0.40 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 59.16 3mpd h GLU 43 Cb 0.63 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 3mpd h GLU 43 CO -0.45 0.57 0.46 -0.24 -1.40 0.00 0.00 179.01 177.96 3mpd h VAL 44 N 0.45 1.12 -0.74 3.13 3.04 -1.87 -2.22 116.25 119.17 3mpd h VAL 44 Ca 0.12 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 3mpd h VAL 44 Cb 0.23 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 29.61 3mpd h VAL 44 CO -0.01 0.17 0.42 -0.07 -1.01 0.00 0.00 177.57 177.07 3mpd h LEU 45 N 0.91 0.91 -1.26 3.16 3.38 -1.01 0.60 115.31 121.99 3mpd h LEU 45 Ca 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3mpd h LEU 45 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3mpd h LEU 45 CO -0.10 0.73 0.22 -0.33 0.09 0.00 0.00 178.44 179.05 3mpd h GLU 46 N 1.01 0.73 0.02 1.13 5.08 -1.17 0.10 114.58 121.49 3mpd h GLU 46 Ca 0.26 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3mpd h GLU 46 Cb 0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3mpd h GLU 46 CO -0.04 0.59 -0.01 1.15 -1.00 0.00 0.00 179.01 179.70 3mpd h THR 47 N 0.72 1.38 -0.73 1.13 2.02 -1.00 -1.99 112.91 114.44 3mpd h THR 47 Ca 0.18 -1.29 0.15 0.00 0.77 0.00 0.00 66.41 66.21 3mpd h THR 47 Cb 0.13 2.24 -0.10 0.00 -1.74 0.00 0.00 68.15 68.67 3mpd h THR 47 CO -0.02 0.33 0.22 -0.74 0.37 0.00 0.00 175.52 175.68 3mpd h HIS 48 N -0.60 0.36 -0.72 3.16 -0.00 -0.63 -2.60 115.15 114.12 3mpd h HIS 48 Ca -0.00 0.04 -0.36 0.00 -0.00 0.00 0.00 60.37 60.05 3mpd h HIS 48 Cb 0.56 -0.04 -0.21 0.00 -0.00 0.00 0.00 27.41 27.71 3mpd h HIS 48 CO 0.12 -0.03 0.34 0.66 -0.00 0.00 0.00 177.93 179.01 3mpd n TYR 49 N -5.10 2.25 -0.11 5.26 4.01 0.34 -4.71 117.16 119.09 3mpd n TYR 49 Ca 0.14 -1.68 0.08 0.00 -0.16 0.00 0.00 57.90 56.28 3mpd n TYR 49 Cb 0.44 -0.75 0.43 0.00 -0.31 0.00 0.00 39.34 39.15 3mpd n TYR 49 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3mpd h SER 50 N 1.16 0.51 0.24 7.72 4.64 -0.94 0.18 113.55 127.06 3mpd h SER 50 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3mpd h SER 50 Cb 2.35 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 3mpd h SER 50 CO 0.79 0.33 0.00 1.12 -0.87 0.00 0.00 176.83 178.20 3mpd h HIS 51 N 0.58 0.00 -0.03 4.77 2.07 -1.85 -2.07 115.15 118.62 3mpd h HIS 51 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3mpd h HIS 51 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3mpd h HIS 51 CO -0.00 0.00 -0.11 1.28 -3.07 0.00 0.00 177.93 176.03 3mpd n LEU 52 N -2.44 2.65 0.22 6.12 4.77 0.61 -4.64 117.00 124.29 3mpd n LEU 52 Ca -0.01 -0.90 0.18 0.00 -0.03 0.00 0.00 56.01 55.25 3mpd n LEU 52 Cb 0.10 -0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.04 3mpd n LEU 52 CO 0.15 0.45 1.15 0.77 -1.33 0.00 0.00 177.39 178.58 3mpd h SER 53 N 3.98 0.00 1.21 -1.43 4.64 -1.36 -1.04 113.55 119.56 3mpd h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mpd h SER 53 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3mpd h SER 53 CO 0.00 0.00 -0.57 0.28 -0.87 0.00 0.00 176.83 175.67 3mpd h SER 54 N 0.00 0.00 -4.05 4.97 0.02 -1.83 -3.47 113.55 109.18 3mpd h SER 54 Ca 0.09 -0.07 -0.49 0.00 -0.84 0.00 0.00 61.79 60.48 3mpd h SER 54 Cb 0.58 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.17 3mpd h SER 54 CO -0.00 0.04 0.42 -0.04 -1.14 0.00 0.00 176.83 176.10 3mpd s MET 55 N -3.24 3.70 0.40 3.45 1.00 -0.40 -4.99 119.30 119.23 3mpd s MET 55 Ca 0.04 1.52 -0.26 0.00 0.00 0.00 0.00 55.69 56.99 3mpd s MET 55 Cb 0.10 -2.17 -0.11 0.00 0.00 0.00 0.00 34.83 32.66 3mpd s MET 55 CO 0.72 -0.54 1.17 -0.35 0.00 0.00 0.00 175.02 176.02 3mpd n PRO 56 N -0.89 1.73 -1.74 2.03 -0.04 -1.26 -2.86 135.00 131.97 3mpd n PRO 56 Ca 0.09 0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 64.02 3mpd n PRO 56 Cb 0.51 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 3mpd n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3mpd n PHE 57 N -0.18 -0.25 -0.11 0.54 3.72 -1.26 -4.91 117.46 115.00 3mpd n PHE 57 Ca 0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.43 3mpd n PHE 57 Cb 0.38 -2.80 0.02 0.00 -0.94 0.00 0.00 39.48 36.14 3mpd n PHE 57 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3mpd h PHE 58 N 0.00 -0.13 -0.38 1.38 3.57 -1.83 -0.95 116.94 118.59 3mpd h PHE 58 Ca -0.32 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.28 3mpd h PHE 58 Cb 1.07 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 3mpd h PHE 58 CO 0.41 -0.13 -0.01 1.03 -2.23 0.00 0.00 178.31 177.37 3mpd h SER 59 N 0.04 -0.18 -0.56 0.41 0.87 -1.91 -0.74 113.55 111.48 3mpd h SER 59 Ca 0.19 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3mpd h SER 59 Cb 0.28 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3mpd h SER 59 CO -0.37 -0.05 0.35 -0.33 -0.53 0.00 0.00 176.83 175.90 3mpd h GLU 60 N 0.09 0.69 -0.77 2.24 3.07 -1.85 0.48 114.58 118.53 3mpd h GLU 60 Ca 0.19 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 3mpd h GLU 60 Cb 0.26 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 3mpd h GLU 60 CO -0.32 0.46 0.51 0.52 -1.40 0.00 0.00 179.01 178.77 3mpd h MET 61 N 0.71 1.00 -0.47 2.33 2.86 -0.67 -0.40 114.93 120.30 3mpd h MET 61 Ca 0.21 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3mpd h MET 61 Cb -0.03 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 3mpd h MET 61 CO -0.07 0.66 0.11 0.28 1.06 0.00 0.00 176.91 178.95 3mpd h VAL 62 N 1.03 1.24 -0.59 -2.22 2.07 -0.81 -3.05 116.25 113.92 3mpd h VAL 62 Ca 0.29 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3mpd h VAL 62 Cb -0.10 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3mpd h VAL 62 CO -0.07 0.30 0.37 -0.08 0.02 0.00 0.00 177.57 178.11 3mpd h GLU 63 N 0.63 0.71 -0.66 1.57 4.57 -0.19 -1.38 114.58 119.83 3mpd h GLU 63 Ca 0.15 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 3mpd h GLU 63 Cb 0.33 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3mpd h GLU 63 CO 0.00 0.47 0.44 -0.44 -1.18 0.00 0.00 179.01 178.30 3mpd h ASP 64 N 0.73 0.45 0.62 1.04 3.32 -1.06 -0.77 116.42 120.75 3mpd h ASP 64 Ca 0.23 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mpd h ASP 64 Cb -0.01 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3mpd h ASP 64 CO -0.09 0.27 -0.09 0.23 -1.72 0.00 0.00 179.24 177.84 3mpd n MET 65 N -4.48 0.33 -0.03 3.56 2.81 -0.55 -3.50 117.12 115.26 3mpd n MET 65 Ca 0.11 -0.07 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3mpd n MET 65 Cb 0.36 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.57 3mpd n MET 65 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3mpd n MET 66 N -1.27 2.23 0.00 0.03 2.81 -0.30 -4.54 117.12 116.08 3mpd n MET 66 Ca 0.11 -1.80 0.14 0.00 -1.81 0.00 0.00 57.70 54.34 3mpd n MET 66 Cb 0.29 -1.47 0.80 0.00 -0.71 0.00 0.00 33.22 32.13 3mpd n MET 66 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3mpd n SER 67 N 1.15 0.00 0.00 7.83 3.41 -1.21 -4.87 113.62 119.93 3mpd n SER 67 Ca 0.16 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3mpd n SER 67 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3mpd n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mpd n GLY 68 N 0.88 -0.82 3.78 5.00 0.00 -1.26 -5.01 105.19 107.75 3mpd n GLY 68 Ca 0.20 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3mpd n GLY 68 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mpd s MET 69 N -2.00 4.04 0.22 1.61 -2.45 -1.26 -4.43 119.30 115.03 3mpd s MET 69 Ca 0.00 2.54 0.09 0.00 -1.25 0.00 0.00 55.69 57.07 3mpd s MET 69 Cb 0.00 -2.92 -0.04 0.00 1.25 0.00 0.00 34.83 33.12 3mpd s MET 69 CO 0.00 -0.57 -0.08 0.14 1.05 0.00 0.00 175.02 175.56 3mpd s VAL 70 N -1.14 3.20 -0.39 10.11 -7.23 0.56 -4.12 120.40 121.39 3mpd s VAL 70 Ca 0.54 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 3mpd s VAL 70 Cb -0.46 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 33.91 3mpd s VAL 70 CO 0.62 -0.22 0.22 -0.22 -0.31 0.00 0.00 175.10 175.19 3mpd s LEU 71 N -3.15 4.91 -0.12 1.32 2.96 -1.06 -1.70 118.68 121.84 3mpd s LEU 71 Ca 0.27 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.72 3mpd s LEU 71 Cb -0.08 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3mpd s LEU 71 CO 0.17 -0.46 0.39 0.00 -1.32 0.00 0.00 176.35 175.12 3mpd s ALA 72 N 1.46 3.56 0.06 5.97 0.00 0.41 -1.24 121.76 131.97 3mpd s ALA 72 Ca 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3mpd s ALA 72 Cb -0.21 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3mpd s ALA 72 CO 0.03 0.12 -0.05 -1.64 0.00 0.00 0.00 175.76 174.22 3mpd s MET 73 N 0.28 0.62 -0.11 0.00 -1.94 0.25 -0.41 119.30 117.99 3mpd s MET 73 Ca 0.22 -1.07 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 3mpd s MET 73 Cb -0.14 -0.03 -0.00 0.00 2.01 0.00 0.00 34.83 36.66 3mpd s MET 73 CO 0.08 -0.04 -0.21 0.08 -0.01 0.00 0.00 175.02 174.92 3mpd s VAL 74 N -2.95 2.36 -0.06 -6.03 1.01 -0.39 -1.25 120.40 113.09 3mpd s VAL 74 Ca 0.02 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3mpd s VAL 74 Cb 0.01 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3mpd s VAL 74 CO -0.05 0.55 -0.24 0.26 0.00 0.00 0.00 175.10 175.62 3mpd s TRP 75 N 0.32 2.39 0.07 5.22 0.52 -0.85 -0.43 118.94 126.18 3mpd s TRP 75 Ca -0.16 -0.75 0.09 0.00 0.02 0.00 0.00 56.10 55.31 3mpd s TRP 75 Cb -0.17 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3mpd s TRP 75 CO 0.08 -0.24 -0.26 0.08 0.02 0.00 0.00 176.95 176.63 3mpd s VAL 76 N -0.07 2.11 0.00 4.03 1.01 0.96 -1.47 120.40 126.97 3mpd s VAL 76 Ca -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3mpd s VAL 76 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3mpd s VAL 76 CO 0.04 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3mpd n GLY 77 N 1.56 2.25 3.65 4.51 0.00 -0.41 0.06 105.19 116.82 3mpd n GLY 77 Ca -0.17 -1.13 -0.47 0.00 0.00 0.00 0.00 46.02 44.25 3mpd n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mpd n LYS 78 N -1.07 1.87 -3.04 1.61 5.02 -1.26 -1.69 118.16 119.60 3mpd n LYS 78 Ca 0.00 0.67 -0.20 0.00 -2.02 0.00 0.00 58.31 56.76 3mpd n LYS 78 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3mpd n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3mpd n ASP 79 N 2.87 -4.29 -0.33 4.39 8.00 -1.26 -4.87 116.55 121.05 3mpd n ASP 79 Ca 0.16 -0.21 0.10 0.00 0.71 0.00 0.00 54.79 55.55 3mpd n ASP 79 Cb 0.27 -3.55 0.31 0.00 -0.02 0.00 0.00 41.12 38.13 3mpd n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mpd h ALA 80 N 0.99 1.68 0.18 2.24 0.00 -1.57 -0.49 119.26 122.29 3mpd h ALA 80 Ca -0.42 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3mpd h ALA 80 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mpd h ALA 80 CO 0.49 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.98 3mpd h VAL 81 N 0.83 0.93 -0.40 0.00 2.07 -1.86 -0.27 116.25 117.55 3mpd h VAL 81 Ca 0.50 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3mpd h VAL 81 Cb 0.69 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3mpd h VAL 81 CO -0.27 0.18 -0.06 0.77 0.02 0.00 0.00 177.57 178.20 3mpd h SER 82 N -0.66 0.66 -0.05 0.57 4.64 -1.86 -1.89 113.55 114.95 3mpd h SER 82 Ca -0.02 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3mpd h SER 82 Cb 0.48 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3mpd h SER 82 CO 0.04 0.77 0.03 0.40 -0.87 0.00 0.00 176.83 177.20 3mpd h ILE 83 N 0.63 1.03 -0.45 0.95 2.04 -1.04 -1.62 117.51 119.05 3mpd h ILE 83 Ca 0.12 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3mpd h ILE 83 Cb 0.49 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3mpd h ILE 83 CO 0.03 0.03 0.26 1.23 0.00 0.00 0.00 178.15 179.69 3mpd h GLY 84 N 0.05 0.63 0.63 5.37 0.00 -0.82 -1.42 103.07 107.51 3mpd h GLY 84 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.24 3mpd h GLY 84 CO -0.00 0.15 0.53 3.21 0.00 0.00 0.00 176.54 180.43 3mpd h ARG 85 N 0.51 0.91 -0.48 4.80 3.08 -1.17 -1.52 114.38 120.51 3mpd h ARG 85 Ca 0.19 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3mpd h ARG 85 Cb 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3mpd h ARG 85 CO -0.10 0.60 -0.18 -0.22 -1.07 0.00 0.00 179.97 179.00 3mpd h LYS 86 N 0.94 0.97 -0.13 0.04 3.64 -0.72 -1.62 116.57 119.67 3mpd h LYS 86 Ca 0.40 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3mpd h LYS 86 Cb 0.27 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3mpd h LYS 86 CO -0.21 1.07 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.81 3mpd h LEU 87 N 0.82 0.20 0.09 5.20 3.38 -0.83 -3.27 115.31 120.91 3mpd h LEU 87 Ca 0.11 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3mpd h LEU 87 Cb 0.75 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.46 3mpd h LEU 87 CO 0.06 0.38 -0.60 0.40 0.09 0.00 0.00 178.44 178.77 3mpd h ILE 88 N 0.20 1.56 0.00 1.22 2.04 -1.11 -1.24 117.51 120.18 3mpd h ILE 88 Ca 0.04 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3mpd h ILE 88 Cb 0.41 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3mpd h ILE 88 CO 0.03 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.46 3mpd n GLY 89 N 1.54 0.84 3.50 5.37 0.00 -0.63 -1.43 105.19 114.38 3mpd n GLY 89 Ca -0.12 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 3mpd n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mpd n GLU 90 N 1.17 0.71 -0.25 1.61 4.71 -1.26 -4.91 120.64 122.42 3mpd n GLU 90 Ca 0.00 0.26 -0.01 0.00 -0.01 0.00 0.00 57.16 57.41 3mpd n GLU 90 Cb 0.00 -1.72 0.06 0.00 -1.01 0.00 0.00 31.44 28.77 3mpd n GLU 90 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3mpd h THR 91 N 0.70 0.21 -3.45 2.62 2.02 -1.97 -3.35 112.91 109.68 3mpd h THR 91 Ca -0.44 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.15 3mpd h THR 91 Cb 1.39 0.21 -0.10 0.00 -1.74 0.00 0.00 68.15 67.90 3mpd h THR 91 CO 0.51 0.00 0.51 0.21 0.37 0.00 0.00 175.52 177.11 3mpd s ASN 92 N -5.23 6.68 0.57 4.18 3.84 -1.26 -4.66 114.94 119.05 3mpd s ASN 92 Ca -0.14 0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.81 3mpd s ASN 92 Cb 0.20 -2.44 1.57 0.00 -0.55 0.00 0.00 41.25 40.04 3mpd s ASN 92 CO 0.73 -0.74 2.11 -0.65 -2.79 0.00 0.00 177.10 175.76 3mpd h PRO 93 N 8.29 0.00 0.00 0.43 0.11 -1.81 0.98 132.00 140.00 3mpd h PRO 93 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3mpd h PRO 93 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3mpd h PRO 93 CO 0.94 0.00 -0.10 1.96 -0.21 0.00 0.00 178.00 180.58 3mpd h GLN 94 N 0.00 0.00 0.00 1.05 4.20 -1.86 -2.70 115.11 115.81 3mpd h GLN 94 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3mpd h GLN 94 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3mpd h GLN 94 CO -0.00 0.10 -1.16 0.00 -0.67 0.00 0.00 178.83 177.10 3mpd n ALA 95 N -2.39 3.34 -1.77 3.87 0.00 0.30 -4.96 120.51 118.90 3mpd n ALA 95 Ca -0.02 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 3mpd n ALA 95 Cb 0.19 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3mpd n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mpd s ALA 96 N -3.24 3.17 0.50 0.00 0.00 -0.96 -4.80 121.76 116.42 3mpd s ALA 96 Ca 0.02 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 3mpd s ALA 96 Cb 0.14 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 3mpd s ALA 96 CO 0.82 -0.40 1.25 -1.12 0.00 0.00 0.00 175.76 176.31 3mpd s SER 97 N -1.22 5.79 0.40 0.00 0.01 -1.26 -4.50 113.70 112.91 3mpd s SER 97 Ca 0.56 2.51 -0.26 0.00 1.31 0.00 0.00 55.95 60.07 3mpd s SER 97 Cb -0.29 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.22 3mpd s SER 97 CO 0.36 -1.20 1.18 0.52 0.41 0.00 0.00 173.24 174.51 3mpd n VAL 98 N -0.71 2.39 0.00 3.43 0.31 -1.26 -1.89 118.33 120.61 3mpd n VAL 98 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3mpd n VAL 98 Cb 0.47 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3mpd n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mpd n GLY 99 N 0.95 3.26 3.91 2.92 0.00 -1.26 -4.98 105.19 109.98 3mpd n GLY 99 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3mpd n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mpd s THR 100 N -2.65 3.88 0.12 2.61 -4.23 -0.79 -4.90 115.64 109.67 3mpd s THR 100 Ca 0.00 0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.50 3mpd s THR 100 Cb 0.00 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.24 3mpd s THR 100 CO 0.00 -0.61 1.71 0.40 -0.54 0.00 0.00 174.62 175.58 3mpd h ILE 101 N -0.23 0.83 -0.31 2.99 2.04 -1.21 -0.35 117.51 121.27 3mpd h ILE 101 Ca -0.45 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 3mpd h ILE 101 Cb 1.24 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3mpd h ILE 101 CO 0.62 0.00 -0.43 0.03 0.00 0.00 0.00 178.15 178.36 3mpd h ARG 102 N -0.01 0.80 -0.62 2.37 3.08 -1.51 -2.11 114.38 116.38 3mpd h ARG 102 Ca 0.08 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3mpd h ARG 102 Cb 0.12 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3mpd h ARG 102 CO -0.17 1.07 0.29 0.78 -1.07 0.00 0.00 179.97 180.87 3mpd h GLY 103 N 0.87 0.94 1.34 0.04 0.00 -1.63 -0.36 103.07 104.26 3mpd h GLY 103 Ca 0.04 -0.45 -0.27 0.00 0.00 0.00 0.00 47.33 46.66 3mpd h GLY 103 CO 0.10 0.43 -1.46 -0.55 0.00 0.00 0.00 176.54 175.05 3mpd h ASP 104 N 0.88 0.06 0.00 0.19 3.32 -1.00 -3.42 116.42 116.45 3mpd h ASP 104 Ca 0.22 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3mpd h ASP 104 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3mpd h ASP 104 CO -0.03 1.09 -0.86 -1.22 -1.72 0.00 0.00 179.24 176.50 3mpd n TYR 105 N -3.21 0.00 -3.31 4.55 4.01 -0.80 -5.07 117.16 113.32 3mpd n TYR 105 Ca -0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.28 3mpd n TYR 105 Cb 1.01 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.99 3mpd n TYR 105 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3mpd s GLY 106 N -1.87 2.45 -0.03 2.72 0.00 -0.15 -5.00 107.32 105.44 3mpd s GLY 106 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 3mpd s GLY 106 CO 0.00 0.17 -0.03 -0.62 0.00 0.00 0.00 173.10 172.61 3mpd n VAL 107 N 0.57 0.16 -4.19 1.40 0.31 -1.26 -4.76 118.33 110.57 3mpd n VAL 107 Ca -0.03 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 64.02 3mpd n VAL 107 Cb 0.52 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 3mpd n VAL 107 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3mpd s SER 108 N -5.03 5.12 0.38 4.52 1.04 -1.26 -4.51 113.70 113.96 3mpd s SER 108 Ca -0.04 -0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.08 3mpd s SER 108 Cb 0.01 -1.18 0.75 0.00 0.10 0.00 0.00 66.02 65.71 3mpd s SER 108 CO 0.05 -0.01 1.90 0.71 0.98 0.00 0.00 173.24 176.87 3mpd h THR 109 N 1.72 1.19 0.03 2.02 1.35 -1.96 -2.99 112.91 114.27 3mpd h THR 109 Ca -0.47 -0.83 -0.22 0.00 -0.55 0.00 0.00 66.41 64.34 3mpd h THR 109 Cb 1.24 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3mpd h THR 109 CO 0.61 0.26 -0.98 1.23 -0.25 0.00 0.00 175.52 176.38 3mpd h GLY 110 N 0.78 0.19 -5.57 5.82 0.00 -1.96 -3.33 103.07 99.00 3mpd h GLY 110 Ca 0.05 -0.40 -0.66 0.00 0.00 0.00 0.00 47.33 46.32 3mpd h GLY 110 CO 0.02 0.35 -0.11 0.28 0.00 0.00 0.00 176.54 177.09 3mpd n LYS 111 N -3.57 3.93 -1.14 4.80 5.02 -1.18 -4.82 118.16 121.21 3mpd n LYS 111 Ca -0.04 -4.79 -0.24 0.00 -2.02 0.00 0.00 58.31 51.22 3mpd n LYS 111 Cb 0.88 -2.31 0.13 0.00 -0.02 0.00 0.00 35.03 33.71 3mpd n LYS 111 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3mpd n ASN 112 N -0.20 4.81 0.00 4.39 6.94 -1.14 -4.35 115.26 125.71 3mpd n ASN 112 Ca 0.36 -3.49 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 3mpd n ASN 112 Cb 0.35 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 3mpd n ASN 112 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3mpd n ILE 113 N -0.87 0.00 -3.53 1.53 2.08 -1.26 -4.80 119.36 112.51 3mpd n ILE 113 Ca 0.54 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.69 3mpd n ILE 113 Cb 1.27 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 40.11 3mpd n ILE 113 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3mpd s ILE 114 N -0.20 0.00 -0.07 1.39 2.07 -1.26 -1.51 121.20 121.62 3mpd s ILE 114 Ca 0.00 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 3mpd s ILE 114 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3mpd s ILE 114 CO 0.00 0.00 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.61 3mpd s HIS 115 N -1.37 2.73 0.03 3.50 5.65 0.78 -4.90 115.29 121.71 3mpd s HIS 115 Ca -0.08 -0.28 0.04 0.00 0.25 0.00 0.00 55.06 54.99 3mpd s HIS 115 Cb -0.00 -1.68 -0.02 0.00 -1.18 0.00 0.00 32.58 29.70 3mpd s HIS 115 CO 0.06 0.08 -0.13 0.20 -0.65 0.00 0.00 174.74 174.30 3mpd s GLY 116 N -0.45 0.73 0.50 1.59 0.00 -1.26 -0.86 107.32 107.57 3mpd s GLY 116 Ca 0.06 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 43.81 3mpd s GLY 116 CO 0.02 -0.72 0.97 1.44 0.00 0.00 0.00 173.10 174.81 3mpd n SER 117 N 2.08 0.95 0.03 1.64 7.64 -0.73 -4.93 113.62 120.29 3mpd n SER 117 Ca -0.17 0.92 0.11 0.00 1.01 0.00 0.00 58.87 60.74 3mpd n SER 117 Cb 0.55 -1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 62.38 3mpd n SER 117 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3mpd n ASP 118 N -0.00 0.58 -3.78 6.43 5.75 -1.26 -4.71 116.55 119.56 3mpd n ASP 118 Ca 0.11 -0.19 -0.08 0.00 -0.01 0.00 0.00 54.79 54.62 3mpd n ASP 118 Cb 0.43 0.92 -0.02 0.00 -1.03 0.00 0.00 41.12 41.42 3mpd n ASP 118 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mpd h VAL 120 N 2.00 1.22 -0.31 0.00 2.07 -1.94 -0.84 116.25 118.45 3mpd h VAL 120 Ca -0.22 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3mpd h VAL 120 Cb 1.26 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3mpd h VAL 120 CO 0.26 0.26 -0.04 -0.08 0.02 0.00 0.00 177.57 177.98 3mpd h GLU 121 N 0.85 0.04 -0.29 1.57 4.81 -1.97 -1.71 114.58 117.88 3mpd h GLU 121 Ca 0.21 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 3mpd h GLU 121 Cb 0.13 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3mpd h GLU 121 CO -0.03 0.03 -0.36 -0.91 -0.73 0.00 0.00 179.01 177.01 3mpd h ASN 122 N 0.04 0.68 -0.55 1.04 2.35 -1.92 -2.63 115.58 114.60 3mpd h ASN 122 Ca 0.15 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3mpd h ASN 122 Cb 0.22 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 3mpd h ASN 122 CO -0.29 0.98 0.23 0.00 -1.65 0.00 0.00 177.43 176.70 3mpd h ALA 123 N 1.06 0.70 -0.33 -0.83 0.00 -0.88 0.76 119.26 119.74 3mpd h ALA 123 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3mpd h ALA 123 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3mpd h ALA 123 CO 0.08 -0.16 0.04 0.93 0.00 0.00 0.00 179.25 180.14 3mpd h GLU 124 N 0.43 0.55 -0.35 0.00 4.39 -1.20 0.52 114.58 118.92 3mpd h GLU 124 Ca 0.26 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3mpd h GLU 124 Cb 0.26 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3mpd h GLU 124 CO -0.24 0.64 0.18 -0.22 -1.16 0.00 0.00 179.01 178.21 3mpd h LYS 125 N 0.37 0.36 -0.43 2.33 3.64 -1.33 -2.08 116.57 119.43 3mpd h LYS 125 Ca 0.10 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3mpd h LYS 125 Cb 0.37 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3mpd h LYS 125 CO 0.01 0.24 -0.00 0.93 -2.27 0.00 0.00 179.45 178.35 3mpd h GLU 126 N 0.37 0.76 -0.29 1.90 5.08 -0.69 -0.78 114.58 120.94 3mpd h GLU 126 Ca 0.14 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3mpd h GLU 126 Cb 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3mpd h GLU 126 CO -0.09 0.84 0.06 0.82 -1.00 0.00 0.00 179.01 179.64 3mpd h ILE 127 N 0.60 0.87 -0.20 3.13 2.04 -0.82 -0.43 117.51 122.70 3mpd h ILE 127 Ca 0.12 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 3mpd h ILE 127 Cb 0.49 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3mpd h ILE 127 CO 0.02 0.03 -0.20 0.11 0.00 0.00 0.00 178.15 178.11 3mpd h LYS 128 N 0.17 0.35 -0.08 2.37 1.57 -1.27 0.15 116.57 119.83 3mpd h LYS 128 Ca 0.13 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3mpd h LYS 128 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3mpd h LYS 128 CO -0.17 0.54 -0.05 1.25 -0.57 0.00 0.00 179.45 180.46 3mpd h LEU 129 N 0.32 0.17 0.01 2.94 5.85 -0.74 -3.31 115.31 120.55 3mpd h LEU 129 Ca 0.06 -0.43 -0.34 0.00 0.84 0.00 0.00 57.88 58.01 3mpd h LEU 129 Cb 0.54 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3mpd h LEU 129 CO 0.04 0.57 -2.07 0.79 -0.34 0.00 0.00 178.44 177.42 3mpd n TRP 130 N -4.75 0.56 -0.05 1.25 7.02 -0.21 -4.78 117.44 116.48 3mpd n TRP 130 Ca -0.07 0.18 -0.11 0.00 -1.02 0.00 0.00 57.50 56.48 3mpd n TRP 130 Cb 0.27 -1.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.03 3mpd n TRP 130 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3mpd n ILE 131 N -3.00 0.91 0.00 -0.99 2.08 0.44 -5.07 119.36 113.71 3mpd n ILE 131 Ca -0.27 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 62.98 3mpd n ILE 131 Cb 1.09 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.22 3mpd n ILE 131 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mpd n GLY 132 N 2.27 1.01 0.69 7.39 0.00 -0.65 -4.91 105.19 110.99 3mpd n GLY 132 Ca -0.21 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3mpd n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mpd n ASP 133 N 2.77 2.18 -0.88 1.61 8.00 -1.26 -4.07 116.55 124.89 3mpd n ASP 133 Ca 0.00 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.80 3mpd n ASP 133 Cb 0.00 0.02 0.18 0.00 -0.02 0.00 0.00 41.12 41.30 3mpd n ASP 133 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mpd n ASP 134 N 0.67 2.31 -4.68 -2.24 8.00 -1.26 -5.04 116.55 114.31 3mpd n ASP 134 Ca 0.16 -3.88 -0.50 0.00 0.71 0.00 0.00 54.79 51.29 3mpd n ASP 134 Cb 0.47 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3mpd n ASP 134 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3mpd n VAL 135 N -1.06 0.41 -2.99 2.53 0.31 -1.26 -4.91 118.33 111.36 3mpd n VAL 135 Ca 0.24 -0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.15 3mpd n VAL 135 Cb 0.76 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 3mpd n VAL 135 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3mpd s GLN 136 N 3.31 4.28 0.22 5.55 -1.52 -1.26 -4.99 119.66 125.25 3mpd s GLN 136 Ca 0.91 0.98 -0.31 0.00 -1.95 0.00 0.00 55.36 54.99 3mpd s GLN 136 Cb -0.78 -2.69 -0.11 0.00 -0.22 0.00 0.00 33.01 29.22 3mpd s GLN 136 CO 0.52 0.27 1.57 -1.25 -0.25 0.00 0.00 175.29 176.15 3mpd s PRO 137 N -2.34 4.19 0.17 2.91 0.04 -1.26 -4.95 135.00 133.76 3mpd s PRO 137 Ca 0.49 2.44 0.04 0.00 0.04 0.00 0.00 61.00 64.01 3mpd s PRO 137 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3mpd s PRO 137 CO 0.20 -0.60 0.22 0.14 0.04 0.00 0.00 177.00 177.00 3mpd s VAL 138 N 0.66 4.89 0.04 -0.36 -7.23 -1.26 -5.08 120.40 112.06 3mpd s VAL 138 Ca 0.67 -0.94 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 3mpd s VAL 138 Cb -0.45 -3.54 -0.06 0.00 0.56 0.00 0.00 36.38 32.89 3mpd s VAL 138 CO 0.37 -0.14 1.28 -0.55 -0.31 0.00 0.00 175.10 175.75 3mpd s SER 139 N -3.30 6.97 -1.39 4.85 0.15 -1.26 -4.93 113.70 114.79 3mpd s SER 139 Ca 0.33 2.07 -0.15 0.00 0.70 0.00 0.00 55.95 58.90 3mpd s SER 139 Cb -0.10 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 3mpd s SER 139 CO 0.26 -0.58 2.02 0.49 1.20 0.00 0.00 173.24 176.63 3mpd n PHE 140 N 4.43 3.89 0.22 3.44 3.72 -1.26 -4.82 117.46 127.07 3mpd n PHE 140 Ca 0.11 -2.94 0.15 0.00 -0.05 0.00 0.00 57.45 54.72 3mpd n PHE 140 Cb 0.45 -2.52 0.80 0.00 -0.94 0.00 0.00 39.48 37.27 3mpd n PHE 140 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3mpd h PHE 141 N 6.50 0.00 0.00 1.38 -5.15 -2.00 -2.13 116.94 115.53 3mpd h PHE 141 Ca 0.51 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.24 3mpd h PHE 141 Cb 0.72 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.81 3mpd h PHE 141 CO 1.42 0.00 -0.55 -0.40 -2.00 0.00 0.00 178.31 176.78 3mpd n ASP 142 N -4.04 1.58 -0.31 -0.68 5.68 -1.26 -4.86 116.55 112.66 3mpd n ASP 142 Ca 0.00 -3.37 0.07 0.00 -0.50 0.00 0.00 54.79 50.99 3mpd n ASP 142 Cb 0.23 -0.46 0.22 0.00 -1.14 0.00 0.00 41.12 39.97 3mpd n ASP 142 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3mpd h LYS 143 N 0.85 0.71 0.00 0.11 1.57 -1.79 -0.51 116.57 117.51 3mpd h LYS 143 Ca -0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mpd h LYS 143 Cb 1.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3mpd h LYS 143 CO 0.02 0.47 -0.00 0.93 -0.57 0.00 0.00 179.45 180.30 3mpd h GLU 144 N 0.73 0.00 0.00 3.15 4.39 -1.85 -1.43 114.58 119.57 3mpd h GLU 144 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3mpd h GLU 144 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3mpd h GLU 144 CO -0.32 0.00 -1.10 0.91 -1.16 0.00 0.00 179.01 177.35 3mpd n TRP 145 N -3.13 0.06 -0.06 4.33 8.01 -0.21 -4.48 117.44 121.98 3mpd n TRP 145 Ca -0.02 0.02 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 3mpd n TRP 145 Cb 0.11 -0.20 -0.07 0.00 -2.01 0.00 0.00 31.31 29.13 3mpd n TRP 145 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3mpd n ILE 146 N -1.72 0.71 0.12 -0.99 5.41 -1.00 -5.18 119.36 116.71 3mpd n ILE 146 Ca 0.03 -0.38 0.01 0.00 1.00 0.00 0.00 62.75 63.40 3mpd n ILE 146 Cb 0.39 -0.81 0.01 0.00 -0.71 0.00 0.00 39.64 38.53 3mpd n ILE 146 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33