#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mpd n GLU 2 N 0.00 1.88 -4.34 0.03 2.13 -1.22 -4.71 120.64 114.41 3mpd n GLU 2 Ca 0.00 0.68 -0.29 0.00 0.66 0.00 0.00 57.16 58.21 3mpd n GLU 2 Cb 0.00 -2.59 -0.12 0.00 0.27 0.00 0.00 31.44 29.00 3mpd n GLU 2 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3mpd s ARG 3 N -2.72 1.64 0.05 5.31 0.52 -1.26 -1.44 118.95 121.05 3mpd s ARG 3 Ca 0.68 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 3mpd s ARG 3 Cb -0.43 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.99 3mpd s ARG 3 CO 0.52 0.47 -0.11 -0.08 0.02 0.00 0.00 175.30 176.12 3mpd s THR 4 N -1.14 0.83 -0.27 0.02 -1.32 0.04 -4.65 115.64 109.15 3mpd s THR 4 Ca 0.17 -1.04 -0.15 0.00 -1.21 0.00 0.00 61.69 59.46 3mpd s THR 4 Cb -0.10 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3mpd s THR 4 CO 0.09 -0.19 0.36 0.12 -2.21 0.00 0.00 174.62 172.79 3mpd s PHE 5 N -1.10 3.24 -0.15 9.09 5.36 -1.26 -1.65 117.98 131.51 3mpd s PHE 5 Ca -0.04 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 3mpd s PHE 5 Cb -0.09 -2.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 3mpd s PHE 5 CO 0.01 -0.23 -0.20 0.42 -1.46 0.00 0.00 175.22 173.76 3mpd s ILE 6 N 2.06 2.24 -0.12 3.12 -1.09 -0.43 -2.01 121.20 124.98 3mpd s ILE 6 Ca 0.15 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 3mpd s ILE 6 Cb -0.16 -1.92 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 3mpd s ILE 6 CO 0.10 0.54 -0.11 -0.32 -1.23 0.00 0.00 174.94 173.91 3mpd s MET 7 N 0.87 1.88 -0.17 2.79 -2.45 0.22 -0.72 119.30 121.72 3mpd s MET 7 Ca -0.05 -0.41 -0.29 0.00 -1.25 0.00 0.00 55.69 53.69 3mpd s MET 7 Cb -0.15 -1.76 -0.00 0.00 1.25 0.00 0.00 34.83 34.17 3mpd s MET 7 CO -0.03 -0.18 1.01 0.42 1.05 0.00 0.00 175.02 177.29 3mpd s ILE 8 N 1.39 4.73 0.70 10.11 1.01 -0.34 -0.41 121.20 138.38 3mpd s ILE 8 Ca 0.00 2.01 -0.11 0.00 0.00 0.00 0.00 60.65 62.56 3mpd s ILE 8 Cb -0.13 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.04 3mpd s ILE 8 CO -0.06 -0.09 1.06 -0.54 0.00 0.00 0.00 174.94 175.31 3mpd s LYS 9 N 2.65 2.94 0.37 2.79 1.02 -0.36 -2.59 119.74 126.55 3mpd s LYS 9 Ca 0.45 0.90 0.05 0.00 0.02 0.00 0.00 55.97 57.39 3mpd s LYS 9 Cb -0.16 -1.99 0.73 0.00 -0.52 0.00 0.00 37.83 35.88 3mpd s LYS 9 CO 0.11 -1.08 1.98 -1.35 -0.92 0.00 0.00 175.35 174.09 3mpd h PRO 10 N -0.70 0.57 -0.03 -1.68 0.11 -1.85 -1.96 132.00 126.45 3mpd h PRO 10 Ca -0.44 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3mpd h PRO 10 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3mpd h PRO 10 CO 0.58 0.46 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.98 3mpd h ASP 11 N 0.57 0.07 0.29 -2.05 3.32 -1.89 -2.29 116.42 114.45 3mpd h ASP 11 Ca 0.14 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3mpd h ASP 11 Cb 0.09 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3mpd h ASP 11 CO -0.02 0.47 -0.60 0.00 -1.72 0.00 0.00 179.24 177.38 3mpd h ALA 12 N 1.53 0.81 -0.34 3.45 0.00 -1.62 -0.78 119.26 122.32 3mpd h ALA 12 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3mpd h ALA 12 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3mpd h ALA 12 CO 0.06 0.72 0.16 0.82 0.00 0.00 0.00 179.25 181.00 3mpd h ILE 13 N 0.23 1.16 0.00 0.00 1.08 -1.23 -2.24 117.51 116.52 3mpd h ILE 13 Ca -0.00 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 3mpd h ILE 13 Cb 1.11 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3mpd h ILE 13 CO 0.10 0.17 -0.32 0.11 -0.69 0.00 0.00 178.15 177.52 3mpd h LYS 14 N 0.41 0.00 -0.02 2.37 1.57 -1.14 -0.17 116.57 119.59 3mpd h LYS 14 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mpd h LYS 14 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3mpd h LYS 14 CO -0.01 0.32 0.00 0.54 -0.57 0.00 0.00 179.45 179.72 3mpd n ARG 15 N -3.87 1.17 -3.48 3.15 1.74 -0.32 -4.93 116.66 110.12 3mpd n ARG 15 Ca -0.01 -0.25 -0.19 0.00 -0.77 0.00 0.00 57.85 56.62 3mpd n ARG 15 Cb 0.39 -1.41 0.09 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.62 -7.08 -0.33 5.56 1.74 -0.08 -4.93 116.66 110.93 3mpd n ARG 16 Ca 0.19 0.83 0.12 0.00 -0.77 0.00 0.00 57.85 58.22 3mpd n ARG 16 Cb 0.15 -5.84 0.30 0.00 -1.02 0.00 0.00 32.46 26.05 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 -4.43 3.73 0.12 0.55 4.77 -0.88 -4.66 117.00 116.21 3mpd n LEU 17 Ca -0.17 -1.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.85 3mpd n LEU 17 Cb 0.63 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3mpd n LEU 17 CO 0.62 0.91 0.73 0.40 -1.33 0.00 0.00 177.39 178.72 3mpd h ILE 18 N 4.19 0.53 -0.43 -0.08 2.04 -1.89 -1.45 117.51 120.42 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 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3mpd h ILE 18 CO 0.00 0.00 -0.12 0.77 0.00 0.00 0.00 178.15 178.80 3mpd h SER 19 N -0.41 0.78 -0.16 1.72 4.64 -2.00 -0.73 113.55 117.40 3mpd h SER 19 Ca 0.02 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 3mpd h SER 19 Cb 0.42 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3mpd h SER 19 CO -0.10 0.92 -0.20 0.03 -0.87 0.00 0.00 176.83 176.61 3mpd h ARG 20 N 0.71 0.59 -0.02 4.77 3.08 -1.85 -0.79 114.38 120.87 3mpd h ARG 20 Ca 0.12 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3mpd h ARG 20 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3mpd h ARG 20 CO 0.04 0.76 -0.04 0.82 -1.07 0.00 0.00 179.97 180.47 3mpd h ILE 21 N 0.53 1.43 -0.70 2.04 2.04 -0.90 -3.24 117.51 118.71 3mpd h ILE 21 Ca 0.08 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3mpd h ILE 21 Cb 0.64 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 3mpd h ILE 21 CO 0.05 0.36 0.39 0.40 0.00 0.00 0.00 178.15 179.35 3mpd h ILE 22 N -0.46 1.21 -0.71 -0.67 2.04 -0.97 -2.42 117.51 115.52 3mpd h ILE 22 Ca 0.00 -0.50 0.15 0.00 1.00 0.00 0.00 64.86 65.52 3mpd h ILE 22 Cb 0.61 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 3mpd h ILE 22 CO 0.01 0.23 0.14 -0.61 0.00 0.00 0.00 178.15 177.91 3mpd h GLN 23 N 0.97 0.23 -0.55 2.37 4.15 -1.17 0.16 115.11 121.27 3mpd h GLN 23 Ca 0.25 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.71 3mpd h GLN 23 Cb 0.01 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 3mpd h GLN 23 CO -0.04 0.15 0.28 0.00 -1.93 0.00 0.00 178.83 177.28 3mpd h ARG 24 N 0.23 0.51 -0.19 1.69 2.47 -1.46 -0.01 114.38 117.63 3mpd h ARG 24 Ca 0.40 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.90 3mpd h ARG 24 Cb 0.67 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3mpd h ARG 24 CO -0.52 0.34 -0.61 0.74 0.56 0.00 0.00 179.97 180.48 3mpd h PHE 25 N 0.53 0.98 -0.29 3.04 0.04 -1.47 -2.69 116.94 117.07 3mpd h PHE 25 Ca 0.24 -0.40 -0.18 0.00 2.80 0.00 0.00 57.97 60.44 3mpd h PHE 25 Cb 0.16 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3mpd h PHE 25 CO -0.10 1.21 -0.52 1.49 -0.60 0.00 0.00 178.31 179.78 3mpd h GLU 26 N 0.47 0.84 0.00 1.51 4.81 -0.73 -2.95 114.58 118.53 3mpd h GLU 26 Ca -0.02 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 3mpd h GLU 26 Cb 1.23 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3mpd h GLU 26 CO 0.13 1.15 -0.36 0.93 -0.73 0.00 0.00 179.01 180.12 3mpd h GLU 27 N 0.65 0.00 0.00 1.92 5.08 -1.08 -2.92 114.58 118.22 3mpd h GLU 27 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3mpd h GLU 27 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3mpd h GLU 27 CO 0.12 0.36 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.98 3mpd h LYS 28 N 0.00 0.00 0.00 2.33 1.63 -1.36 -3.48 116.57 115.69 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 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3mpd h LYS 28 CO 0.05 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.75 3mpd n GLY 29 N 0.09 0.85 3.81 5.01 0.00 -1.10 -5.10 105.19 108.74 3mpd n GLY 29 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 3.21 -0.21 0.99 1.43 -1.16 -4.99 118.68 117.96 3mpd s LEU 30 Ca 0.00 1.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.75 3mpd s LEU 30 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 3mpd s LEU 30 CO 0.00 -1.49 0.03 -0.31 0.23 0.00 0.00 176.35 174.81 3mpd s TYR 31 N -2.85 3.08 0.07 0.29 2.02 -0.30 -4.63 117.35 115.02 3mpd s TYR 31 Ca 0.60 -0.39 -0.31 0.00 -0.37 0.00 0.00 57.07 56.61 3mpd s TYR 31 Cb -0.15 -2.13 -0.07 0.00 -0.40 0.00 0.00 41.96 39.21 3mpd s TYR 31 CO 0.50 -0.23 1.44 -1.17 -1.57 0.00 0.00 175.55 174.53 3mpd s LEU 32 N 1.10 4.35 -0.02 -1.29 2.96 -1.26 -0.93 118.68 123.59 3mpd s LEU 32 Ca 0.03 2.29 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 3mpd s LEU 32 Cb -0.14 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3mpd s LEU 32 CO 0.02 -0.72 0.02 0.00 -1.32 0.00 0.00 176.35 174.36 3mpd n ALA 33 N 4.69 1.99 -3.30 5.97 0.00 -0.20 -4.96 120.51 124.70 3mpd n ALA 33 Ca 0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3mpd n ALA 33 Cb 0.42 0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.09 -1.15 -0.18 0.00 0.00 -1.19 -4.73 121.76 112.41 3mpd s ALA 34 Ca -0.01 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 3mpd s ALA 34 Cb 0.01 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.34 3mpd s ALA 34 CO 0.10 -0.36 0.46 0.45 0.00 0.00 0.00 175.76 176.40 3mpd s SER 35 N -1.52 -0.55 -0.16 0.00 0.15 -1.25 -1.40 113.70 108.96 3mpd s SER 35 Ca -0.10 0.97 -0.09 0.00 0.70 0.00 0.00 55.95 57.43 3mpd s SER 35 Cb -0.02 0.89 0.05 0.00 -1.71 0.00 0.00 66.02 65.23 3mpd s SER 35 CO 0.04 -0.19 0.39 -0.75 1.20 0.00 0.00 173.24 173.92 3mpd s LYS 36 N 1.08 0.38 -0.16 5.44 2.20 0.66 -4.99 119.74 124.34 3mpd s LYS 36 Ca -0.07 0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 56.04 3mpd s LYS 36 Cb -0.06 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 3mpd s LYS 36 CO -0.10 -0.14 0.69 0.00 -0.36 0.00 0.00 175.35 175.45 3mpd s VAL 38 N 1.74 0.05 -0.51 0.00 -7.23 -0.56 -4.99 120.40 108.90 3mpd s VAL 38 Ca 0.33 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 3mpd s VAL 38 Cb -0.16 -0.15 0.04 0.00 0.56 0.00 0.00 36.38 36.68 3mpd s VAL 38 CO 0.12 0.10 0.78 -0.63 -0.31 0.00 0.00 175.10 175.15 3mpd s ILE 39 N 0.85 4.64 0.38 -0.62 1.01 -1.26 -0.72 121.20 125.48 3mpd s ILE 39 Ca -0.08 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 3mpd s ILE 39 Cb -0.11 -4.39 -0.11 0.00 0.01 0.00 0.00 42.46 37.86 3mpd s ILE 39 CO -0.02 -0.90 1.28 -2.65 0.00 0.00 0.00 174.94 172.64 3mpd n PRO 40 N 6.77 2.03 -3.31 2.79 -0.02 -1.26 -5.01 135.00 137.00 3mpd n PRO 40 Ca -0.02 0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 3mpd n PRO 40 Cb 0.47 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 3mpd n PRO 40 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3mpd s LYS 41 N -2.02 3.72 0.13 -0.52 0.00 -1.26 -4.75 119.74 115.03 3mpd s LYS 41 Ca 0.58 0.17 -0.20 0.00 0.00 0.00 0.00 55.97 56.52 3mpd s LYS 41 Cb -0.54 -2.62 -0.02 0.00 0.00 0.00 0.00 37.83 34.65 3mpd s LYS 41 CO 0.60 0.23 1.72 -0.09 0.00 0.00 0.00 175.35 177.81 3mpd h ARG 42 N 1.98 0.05 -0.51 1.78 2.43 -1.96 -2.10 114.38 116.03 3mpd h ARG 42 Ca -0.47 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 3mpd h ARG 42 Cb 1.18 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3mpd h ARG 42 CO 0.67 0.03 0.07 1.05 -1.51 0.00 0.00 179.97 180.28 3mpd h GLU 43 N 0.05 0.82 -0.13 0.20 9.09 -1.98 0.18 114.58 122.81 3mpd h GLU 43 Ca 0.10 -0.19 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3mpd h GLU 43 Cb 0.13 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3mpd h GLU 43 CO -0.18 0.78 0.08 0.28 0.05 0.00 0.00 179.01 180.02 3mpd h VAL 44 N 0.78 1.04 -0.68 -1.06 2.07 -1.96 -1.53 116.25 114.90 3mpd h VAL 44 Ca 0.16 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3mpd h VAL 44 Cb 0.37 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3mpd h VAL 44 CO 0.01 0.04 0.13 -0.07 0.02 0.00 0.00 177.57 177.70 3mpd h LEU 45 N 0.17 1.06 -1.46 2.57 3.38 -0.61 -0.78 115.31 119.64 3mpd h LEU 45 Ca 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3mpd h LEU 45 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3mpd h LEU 45 CO -0.01 1.03 -0.11 -0.33 0.09 0.00 0.00 178.44 179.11 3mpd h GLU 46 N 1.04 0.22 0.00 1.13 5.08 -0.55 0.11 114.58 121.61 3mpd h GLU 46 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mpd h GLU 46 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3mpd h GLU 46 CO 0.01 0.34 -0.00 1.15 -1.00 0.00 0.00 179.01 179.51 3mpd h THR 47 N 0.21 1.51 -1.00 1.13 2.02 -0.85 -2.44 112.91 113.50 3mpd h THR 47 Ca 0.04 -1.49 0.07 0.00 0.77 0.00 0.00 66.41 65.80 3mpd h THR 47 Cb 0.33 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 69.20 3mpd h THR 47 CO 0.02 0.39 0.64 -0.74 0.37 0.00 0.00 175.52 176.20 3mpd h HIS 48 N -0.64 1.19 -0.56 3.16 -0.00 -0.79 -2.34 115.15 115.18 3mpd h HIS 48 Ca -0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.19 3mpd h HIS 48 Cb 0.64 -0.39 -0.12 0.00 -0.00 0.00 0.00 27.41 27.53 3mpd h HIS 48 CO 0.15 0.62 0.17 0.66 -0.00 0.00 0.00 177.93 179.52 3mpd n TYR 49 N -4.51 1.81 -0.22 5.26 4.01 0.34 -4.71 117.16 119.13 3mpd n TYR 49 Ca 0.15 -1.37 0.17 0.00 -0.16 0.00 0.00 57.90 56.70 3mpd n TYR 49 Cb 0.18 -0.59 0.49 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.69 0.44 0.71 7.72 4.64 -0.90 0.90 113.55 128.74 3mpd h SER 50 Ca 0.26 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3mpd h SER 50 Cb 2.03 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 3mpd h SER 50 CO 0.58 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 3mpd n HIS 51 N -4.51 0.54 -0.40 4.77 1.44 -1.26 -2.31 115.22 113.50 3mpd n HIS 51 Ca 0.18 0.21 0.09 0.00 -2.01 0.00 0.00 57.72 56.19 3mpd n HIS 51 Cb 0.62 -0.83 0.28 0.00 0.12 0.00 0.00 29.99 30.17 3mpd n HIS 51 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3mpd n LEU 52 N -1.99 3.82 0.21 2.39 4.77 0.31 -4.71 117.00 121.80 3mpd n LEU 52 Ca 0.03 -2.14 0.15 0.00 -0.03 0.00 0.00 56.01 54.02 3mpd n LEU 52 Cb 0.22 -0.43 0.63 0.00 -2.33 0.00 0.00 43.42 41.51 3mpd n LEU 52 CO 0.19 0.86 0.94 0.77 -1.33 0.00 0.00 177.39 178.82 3mpd h SER 53 N 3.46 0.00 0.04 -1.43 4.64 -1.48 -1.57 113.55 117.22 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 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3mpd h SER 53 CO 0.06 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.37 3mpd n SER 54 N -2.69 1.74 -4.78 4.97 3.41 -1.26 -4.93 113.62 110.08 3mpd n SER 54 Ca 0.01 -1.46 -0.38 0.00 -0.26 0.00 0.00 58.87 56.78 3mpd n SER 54 Cb 0.25 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 3mpd n SER 54 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mpd s MET 55 N -2.16 4.62 0.57 4.33 1.00 -0.59 -4.94 119.30 122.13 3mpd s MET 55 Ca 0.31 1.32 0.29 0.00 0.00 0.00 0.00 55.69 57.61 3mpd s MET 55 Cb 0.20 -2.92 1.74 0.00 0.00 0.00 0.00 34.83 33.85 3mpd s MET 55 CO 0.39 0.35 2.21 -1.00 0.00 0.00 0.00 175.02 176.97 3mpd h PRO 56 N 3.43 0.00 -0.01 2.03 0.13 -1.92 -2.14 132.00 133.52 3mpd h PRO 56 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mpd h PRO 56 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3mpd h PRO 56 CO 0.66 0.03 -0.06 1.97 -0.23 0.00 0.00 178.00 180.36 3mpd n PHE 57 N -3.79 0.00 -0.12 1.56 1.16 -1.26 -4.55 117.46 110.46 3mpd n PHE 57 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.51 3mpd n PHE 57 Cb 0.12 -0.06 0.03 0.00 -1.61 0.00 0.00 39.48 37.96 3mpd n PHE 57 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3mpd h PHE 58 N 1.29 0.02 -0.48 2.97 3.57 -1.64 -0.57 116.94 122.10 3mpd h PHE 58 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3mpd h PHE 58 Cb 0.37 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3mpd h PHE 58 CO 0.00 -0.05 -0.07 0.77 -2.23 0.00 0.00 178.31 176.73 3mpd h SER 59 N 0.14 0.83 -0.49 0.41 0.02 -1.83 -1.74 113.55 110.88 3mpd h SER 59 Ca 0.20 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 3mpd h SER 59 Cb 0.27 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3mpd h SER 59 CO -0.31 0.93 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.23 3mpd h GLU 60 N 0.77 0.87 -0.23 3.45 4.57 -1.74 -0.56 114.58 121.71 3mpd h GLU 60 Ca 0.13 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3mpd h GLU 60 Cb 0.56 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3mpd h GLU 60 CO 0.03 0.91 0.15 1.98 -1.18 0.00 0.00 179.01 180.90 3mpd h MET 61 N 0.73 0.31 -0.47 1.92 4.05 -0.90 0.18 114.93 120.76 3mpd h MET 61 Ca 0.14 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3mpd h MET 61 Cb 0.52 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 3mpd h MET 61 CO 0.03 0.22 0.28 0.28 0.23 0.00 0.00 176.91 177.94 3mpd h VAL 62 N 0.30 1.05 -0.57 -5.77 2.07 -1.21 -0.28 116.25 111.84 3mpd h VAL 62 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3mpd h VAL 62 Cb -0.02 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3mpd h VAL 62 CO -0.02 0.10 0.37 -0.33 0.02 0.00 0.00 177.57 177.71 3mpd h GLU 63 N 0.55 0.75 -0.81 1.57 4.39 -0.68 -1.13 114.58 119.23 3mpd h GLU 63 Ca 0.19 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 3mpd h GLU 63 Cb 0.02 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3mpd h GLU 63 CO -0.09 0.51 0.35 0.22 -1.16 0.00 0.00 179.01 178.85 3mpd h ASP 64 N 0.77 1.10 0.91 1.42 3.58 -0.44 -1.98 116.42 121.79 3mpd h ASP 64 Ca 0.21 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3mpd h ASP 64 Cb -0.07 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.70 3mpd h ASP 64 CO -0.04 0.96 0.00 0.24 -2.88 0.00 0.00 179.24 177.51 3mpd h MET 65 N 1.17 0.00 -0.02 0.28 2.86 -0.64 -2.17 114.93 116.42 3mpd h MET 65 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3mpd h MET 65 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3mpd h MET 65 CO -0.03 0.00 -0.05 -1.33 1.06 0.00 0.00 176.91 176.56 3mpd n MET 66 N -2.43 2.00 -0.01 1.72 2.81 -0.46 -4.46 117.12 116.30 3mpd n MET 66 Ca 0.02 -1.54 0.12 0.00 -1.81 0.00 0.00 57.70 54.50 3mpd n MET 66 Cb 0.28 -1.47 0.69 0.00 -0.71 0.00 0.00 33.22 32.01 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 0.84 0.25 0.00 7.83 3.41 -0.81 -4.84 113.62 120.30 3mpd n SER 67 Ca 0.15 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 3mpd n SER 67 Cb 0.51 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.93 -0.70 3.77 5.00 0.00 -1.26 -5.03 105.19 107.90 3mpd n GLY 68 Ca 0.19 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 4.16 0.17 1.61 -2.45 -1.26 -4.48 119.30 115.06 3mpd s MET 69 Ca 0.00 2.49 0.07 0.00 -1.25 0.00 0.00 55.69 57.00 3mpd s MET 69 Cb 0.00 -3.00 -0.04 0.00 1.25 0.00 0.00 34.83 33.04 3mpd s MET 69 CO 0.00 -0.47 0.01 0.14 1.05 0.00 0.00 175.02 175.75 3mpd s VAL 70 N -0.97 3.80 -0.34 10.11 -7.23 0.10 -4.13 120.40 121.75 3mpd s VAL 70 Ca 0.53 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 59.26 3mpd s VAL 70 Cb -0.45 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 33.61 3mpd s VAL 70 CO 0.59 -0.10 0.11 -0.22 -0.31 0.00 0.00 175.10 175.17 3mpd s LEU 71 N -2.93 4.29 -0.15 1.32 2.96 -1.07 -1.50 118.68 121.60 3mpd s LEU 71 Ca 0.28 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 3mpd s LEU 71 Cb -0.09 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3mpd s LEU 71 CO 0.19 -0.31 0.08 0.00 -1.32 0.00 0.00 176.35 174.99 3mpd s ALA 72 N 1.44 3.56 0.03 5.97 0.00 -0.04 -1.20 121.76 131.52 3mpd s ALA 72 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3mpd s ALA 72 Cb -0.19 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3mpd s ALA 72 CO 0.03 0.36 0.02 -1.64 0.00 0.00 0.00 175.76 174.54 3mpd s MET 73 N -0.22 0.49 -0.13 0.00 -1.94 0.10 -0.25 119.30 117.35 3mpd s MET 73 Ca 0.09 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 3mpd s MET 73 Cb -0.12 0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.90 3mpd s MET 73 CO 0.01 -0.10 -0.17 0.08 -0.01 0.00 0.00 175.02 174.83 3mpd s VAL 74 N -2.46 2.64 0.05 -6.03 1.01 -0.49 -1.31 120.40 113.80 3mpd s VAL 74 Ca -0.06 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3mpd s VAL 74 Cb -0.02 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3mpd s VAL 74 CO -0.04 0.53 -0.16 0.26 0.00 0.00 0.00 175.10 175.69 3mpd s TRP 75 N 0.46 2.61 0.04 5.22 0.52 -0.66 -1.03 118.94 126.11 3mpd s TRP 75 Ca -0.12 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 55.83 3mpd s TRP 75 Cb -0.16 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3mpd s TRP 75 CO 0.05 0.30 -0.14 0.08 0.02 0.00 0.00 176.95 177.26 3mpd s VAL 76 N -0.99 1.10 0.00 4.03 1.01 -0.11 -0.78 120.40 124.67 3mpd s VAL 76 Ca 0.16 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3mpd s VAL 76 Cb -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3mpd s VAL 76 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3mpd n GLY 77 N 1.92 2.60 3.71 4.51 0.00 -0.52 -1.15 105.19 116.27 3mpd n GLY 77 Ca -0.18 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.03 2.52 -2.29 1.61 4.01 -1.26 -1.97 118.16 119.74 3mpd n LYS 78 Ca 0.00 0.90 -0.17 0.00 -0.51 0.00 0.00 58.31 58.53 3mpd n LYS 78 Cb 0.00 -2.67 -0.02 0.00 -0.51 0.00 0.00 35.03 31.83 3mpd n LYS 78 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3mpd n ASP 79 N 2.73 -4.86 -0.15 4.39 8.00 -1.26 -4.89 116.55 120.51 3mpd n ASP 79 Ca 0.12 0.13 0.09 0.00 0.71 0.00 0.00 54.79 55.84 3mpd n ASP 79 Cb 0.34 -4.12 0.40 0.00 -0.02 0.00 0.00 41.12 37.73 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 0.92 1.81 0.53 2.24 0.00 -1.65 0.11 119.26 123.22 3mpd h ALA 80 Ca -0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3mpd h ALA 80 Cb 1.27 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3mpd h ALA 80 CO 0.47 0.06 -0.25 0.28 0.00 0.00 0.00 179.25 179.81 3mpd h VAL 81 N 0.64 0.43 -0.53 0.00 2.07 -1.87 0.64 116.25 117.63 3mpd h VAL 81 Ca 0.31 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3mpd h VAL 81 Cb 0.38 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3mpd h VAL 81 CO -0.10 0.04 0.22 0.77 0.02 0.00 0.00 177.57 178.51 3mpd h SER 82 N -0.88 0.69 -0.11 0.57 4.64 -1.85 -1.20 113.55 115.42 3mpd h SER 82 Ca -0.07 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3mpd h SER 82 Cb 0.61 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3mpd h SER 82 CO 0.12 0.62 0.03 0.40 -0.87 0.00 0.00 176.83 177.13 3mpd h ILE 83 N 0.75 1.18 -0.68 0.95 2.04 -0.89 -2.38 117.51 118.48 3mpd h ILE 83 Ca 0.18 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3mpd h ILE 83 Cb 0.14 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3mpd h ILE 83 CO -0.02 0.16 0.44 1.23 0.00 0.00 0.00 178.15 179.96 3mpd h GLY 84 N -0.02 0.97 0.72 5.37 0.00 -0.55 -1.93 103.07 107.63 3mpd h GLY 84 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.09 3mpd h GLY 84 CO -0.00 0.31 0.54 3.21 0.00 0.00 0.00 176.54 180.60 3mpd h ARG 85 N 0.88 0.95 -0.20 4.80 3.08 -1.14 -1.75 114.38 121.00 3mpd h ARG 85 Ca 0.26 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 3mpd h ARG 85 Cb -0.05 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.79 3mpd h ARG 85 CO -0.08 0.63 -0.62 -0.22 -1.07 0.00 0.00 179.97 178.62 3mpd h LYS 86 N 0.98 0.78 -0.92 0.04 3.64 -1.00 -1.50 116.57 118.59 3mpd h LYS 86 Ca 0.38 -0.56 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3mpd h LYS 86 Cb 0.18 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3mpd h LYS 86 CO -0.18 1.18 0.59 -0.07 -2.27 0.00 0.00 179.45 178.71 3mpd h LEU 87 N 0.51 0.88 0.03 5.20 3.38 -1.12 -3.21 115.31 120.98 3mpd h LEU 87 Ca -0.02 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3mpd h LEU 87 Cb 1.24 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.83 3mpd h LEU 87 CO 0.13 0.54 -0.68 0.40 0.09 0.00 0.00 178.44 178.92 3mpd h ILE 88 N 0.98 1.43 0.00 1.22 2.04 -1.12 -1.80 117.51 120.27 3mpd h ILE 88 Ca 0.41 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3mpd h ILE 88 Cb 0.31 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3mpd h ILE 88 CO -0.17 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.22 3mpd n GLY 89 N 1.18 -0.31 3.71 5.37 0.00 -0.58 -1.21 105.19 113.34 3mpd n GLY 89 Ca -0.11 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.31 0.88 -0.17 1.61 4.71 -1.26 -4.91 120.64 121.18 3mpd n GLU 90 Ca 0.00 0.36 -0.02 0.00 -0.01 0.00 0.00 57.16 57.49 3mpd n GLU 90 Cb 0.00 -2.47 0.06 0.00 -1.01 0.00 0.00 31.44 28.02 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 0.19 0.54 -3.58 2.62 2.02 -1.97 -3.35 112.91 109.39 3mpd h THR 91 Ca -0.50 -0.03 -0.58 0.00 0.77 0.00 0.00 66.41 66.08 3mpd h THR 91 Cb 1.33 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3mpd h THR 91 CO 0.51 0.01 0.78 0.21 0.37 0.00 0.00 175.52 177.40 3mpd s ASN 92 N -5.24 6.67 0.58 4.18 3.84 -1.26 -4.74 114.94 118.98 3mpd s ASN 92 Ca -0.14 0.53 0.28 0.00 0.21 0.00 0.00 52.86 53.75 3mpd s ASN 92 Cb 0.17 -2.51 1.52 0.00 -0.55 0.00 0.00 41.25 39.87 3mpd s ASN 92 CO 0.73 -1.06 1.97 -0.65 -2.79 0.00 0.00 177.10 175.30 3mpd h PRO 93 N 8.82 0.00 0.00 0.43 0.11 -1.81 0.21 132.00 139.76 3mpd h PRO 93 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3mpd h PRO 93 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mpd h PRO 93 CO 1.06 0.00 -0.04 1.96 -0.21 0.00 0.00 178.00 180.77 3mpd h GLN 94 N 0.00 0.00 0.00 1.05 4.20 -1.84 -2.92 115.11 115.60 3mpd h GLN 94 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3mpd h GLN 94 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3mpd h GLN 94 CO -0.00 0.04 -0.73 0.00 -0.67 0.00 0.00 178.83 177.47 3mpd h ALA 95 N 1.96 0.56 -2.71 3.87 0.00 -0.94 -3.48 119.26 118.53 3mpd h ALA 95 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3mpd h ALA 95 Cb 0.70 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.53 3mpd h ALA 95 CO 0.01 0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.73 3mpd s ALA 96 N -3.23 3.23 0.51 0.00 0.00 -0.96 -4.77 121.76 116.54 3mpd s ALA 96 Ca 0.04 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 3mpd s ALA 96 Cb 0.12 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3mpd s ALA 96 CO 0.74 -0.34 1.27 -1.12 0.00 0.00 0.00 175.76 176.31 3mpd s SER 97 N -1.13 5.65 0.34 0.00 0.01 -1.26 -4.53 113.70 112.78 3mpd s SER 97 Ca 0.53 2.54 -0.29 0.00 1.31 0.00 0.00 55.95 60.04 3mpd s SER 97 Cb -0.29 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.20 3mpd s SER 97 CO 0.37 -1.29 1.54 0.52 0.41 0.00 0.00 173.24 174.79 3mpd n VAL 98 N -0.83 1.58 0.00 3.43 0.31 -1.26 -2.01 118.33 119.54 3mpd n VAL 98 Ca 0.09 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3mpd n VAL 98 Cb 0.47 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.19 2.76 3.89 2.92 0.00 -1.26 -4.99 105.19 109.70 3mpd n GLY 99 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.77 4.50 0.15 2.61 -4.23 -0.85 -4.89 115.64 110.16 3mpd s THR 100 Ca 0.00 0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 60.83 3mpd s THR 100 Cb 0.00 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 70.11 3mpd s THR 100 CO 0.00 -0.90 1.70 0.40 -0.54 0.00 0.00 174.62 175.27 3mpd h ILE 101 N -0.16 0.72 -0.29 2.99 2.04 -1.32 0.47 117.51 121.96 3mpd h ILE 101 Ca -0.45 -0.02 -0.16 0.00 1.00 0.00 0.00 64.86 65.23 3mpd h ILE 101 Cb 1.21 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3mpd h ILE 101 CO 0.62 0.01 -0.47 0.03 0.00 0.00 0.00 178.15 178.34 3mpd h ARG 102 N 0.05 0.76 -0.36 2.37 3.08 -1.43 -1.98 114.38 116.86 3mpd h ARG 102 Ca 0.15 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 3mpd h ARG 102 Cb 0.22 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3mpd h ARG 102 CO -0.29 1.06 -0.15 0.78 -1.07 0.00 0.00 179.97 180.30 3mpd h GLY 103 N 0.88 0.71 1.59 0.04 0.00 -1.63 0.24 103.07 104.90 3mpd h GLY 103 Ca 0.03 -0.54 -0.26 0.00 0.00 0.00 0.00 47.33 46.56 3mpd h GLY 103 CO 0.10 0.50 -1.28 -0.55 0.00 0.00 0.00 176.54 175.31 3mpd h ASP 104 N 0.59 0.18 0.00 0.19 3.32 -0.87 -3.41 116.42 116.41 3mpd h ASP 104 Ca 0.10 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3mpd h ASP 104 Cb 0.60 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3mpd h ASP 104 CO 0.04 1.18 -1.01 -1.22 -1.72 0.00 0.00 179.24 176.51 3mpd n TYR 105 N -3.37 0.00 -3.96 4.55 4.01 -0.75 -5.07 117.16 112.58 3mpd n TYR 105 Ca -0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 3mpd n TYR 105 Cb 1.00 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.95 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 -2.08 2.14 -0.06 2.72 0.00 0.07 -5.01 107.32 105.09 3mpd s GLY 106 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3mpd s GLY 106 CO 0.04 -0.76 -0.08 -0.62 0.00 0.00 0.00 173.10 171.69 3mpd n VAL 107 N 0.72 0.35 -4.13 1.40 0.31 -1.26 -4.71 118.33 111.01 3mpd n VAL 107 Ca -0.09 -0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 3mpd n VAL 107 Cb 0.52 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 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 -5.43 5.22 0.25 4.52 1.04 -1.26 -4.38 113.70 113.66 3mpd s SER 108 Ca -0.09 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 3mpd s SER 108 Cb 0.03 -1.28 0.30 0.00 0.10 0.00 0.00 66.02 65.18 3mpd s SER 108 CO 0.12 0.09 1.74 0.74 0.98 0.00 0.00 173.24 176.91 3mpd h THR 109 N 2.28 1.25 -0.59 2.02 2.02 -1.96 -2.81 112.91 115.12 3mpd h THR 109 Ca -0.47 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3mpd h THR 109 Cb 1.20 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3mpd h THR 109 CO 0.61 0.37 0.24 1.23 0.37 0.00 0.00 175.52 178.33 3mpd h GLY 110 N 0.98 0.95 -5.78 2.16 0.00 -1.95 -3.23 103.07 96.19 3mpd h GLY 110 Ca 0.14 -0.52 -0.73 0.00 0.00 0.00 0.00 47.33 46.23 3mpd h GLY 110 CO 0.02 0.49 0.43 0.28 0.00 0.00 0.00 176.54 177.76 3mpd n LYS 111 N -4.47 4.47 -0.91 4.80 5.02 -1.07 -4.80 118.16 121.20 3mpd n LYS 111 Ca 0.03 -4.65 -0.19 0.00 -2.02 0.00 0.00 58.31 51.49 3mpd n LYS 111 Cb 0.17 -2.37 0.10 0.00 -0.02 0.00 0.00 35.03 32.90 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 -0.17 4.74 0.00 4.39 6.94 -1.18 -4.45 115.26 125.52 3mpd n ASN 112 Ca 0.42 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.81 3mpd n ASN 112 Cb 0.32 -0.84 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 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 -0.43 0.00 -3.49 1.53 2.08 -1.26 -4.81 119.36 112.98 3mpd n ILE 113 Ca 0.41 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.56 3mpd n ILE 113 Cb 1.04 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.89 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 -0.02 0.00 -0.03 1.39 2.07 -1.26 -1.23 121.20 122.13 3mpd s ILE 114 Ca 0.00 -0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.29 3mpd s ILE 114 Cb 0.00 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3mpd s ILE 114 CO 0.00 -0.01 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.50 3mpd s HIS 115 N -2.14 2.40 0.03 3.50 5.65 0.45 -4.90 115.29 120.27 3mpd s HIS 115 Ca -0.07 -0.40 0.03 0.00 0.25 0.00 0.00 55.06 54.87 3mpd s HIS 115 Cb -0.00 -1.52 -0.02 0.00 -1.18 0.00 0.00 32.58 29.85 3mpd s HIS 115 CO 0.01 -0.01 -0.08 0.20 -0.65 0.00 0.00 174.74 174.22 3mpd s GLY 116 N -0.62 0.48 0.52 1.59 0.00 -1.26 -0.61 107.32 107.43 3mpd s GLY 116 Ca 0.10 -0.60 -0.22 0.00 0.00 0.00 0.00 44.72 43.99 3mpd s GLY 116 CO -0.01 -0.61 1.31 1.44 0.00 0.00 0.00 173.10 175.23 3mpd n SER 117 N 2.03 2.52 0.03 1.64 7.64 -0.85 -4.93 113.62 121.69 3mpd n SER 117 Ca -0.19 0.99 0.11 0.00 1.01 0.00 0.00 58.87 60.80 3mpd n SER 117 Cb 0.56 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 -0.71 0.59 -3.73 6.43 5.75 -1.26 -4.70 116.55 118.92 3mpd n ASP 118 Ca 0.10 -0.17 -0.06 0.00 -0.01 0.00 0.00 54.79 54.64 3mpd n ASP 118 Cb 0.44 0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 41.38 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 1.13 -0.31 0.00 2.07 -1.93 -0.69 116.25 118.51 3mpd h VAL 120 Ca -0.23 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3mpd h VAL 120 Cb 1.25 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3mpd h VAL 120 CO 0.26 0.13 -0.22 -0.08 0.02 0.00 0.00 177.57 177.68 3mpd h GLU 121 N 0.69 -0.18 -0.26 1.57 4.81 -1.97 -1.85 114.58 117.38 3mpd h GLU 121 Ca 0.19 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3mpd h GLU 121 Cb -0.08 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3mpd h GLU 121 CO -0.04 -0.12 -0.27 -0.91 -0.73 0.00 0.00 179.01 176.93 3mpd h ASN 122 N -0.19 0.52 -0.40 1.04 2.35 -1.87 -2.64 115.58 114.39 3mpd h ASN 122 Ca 0.16 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3mpd h ASN 122 Cb 0.44 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3mpd h ASN 122 CO -0.42 0.78 0.15 0.00 -1.65 0.00 0.00 177.43 176.28 3mpd h ALA 123 N 1.26 0.48 -0.37 -0.83 0.00 -0.74 0.20 119.26 119.27 3mpd h ALA 123 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mpd h ALA 123 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3mpd h ALA 123 CO 0.05 -0.24 0.14 0.93 0.00 0.00 0.00 179.25 180.14 3mpd h GLU 124 N 0.32 0.56 -0.55 0.00 4.39 -1.21 0.17 114.58 118.25 3mpd h GLU 124 Ca 0.18 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3mpd h GLU 124 Cb 0.15 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3mpd h GLU 124 CO -0.18 0.55 0.35 -0.22 -1.16 0.00 0.00 179.01 178.35 3mpd h LYS 125 N 0.45 0.73 -0.41 2.33 3.64 -1.20 -2.11 116.57 120.01 3mpd h LYS 125 Ca 0.12 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3mpd h LYS 125 Cb 0.21 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3mpd h LYS 125 CO -0.01 0.50 0.05 0.93 -2.27 0.00 0.00 179.45 178.65 3mpd h GLU 126 N 0.74 0.69 -0.03 1.90 5.08 -0.32 -1.78 114.58 120.86 3mpd h GLU 126 Ca 0.20 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mpd h GLU 126 Cb -0.06 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3mpd h GLU 126 CO -0.04 0.74 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 3mpd h ILE 127 N 0.53 1.01 -0.75 3.13 2.04 -0.85 -0.61 117.51 122.02 3mpd h ILE 127 Ca 0.12 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3mpd h ILE 127 Cb 0.40 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3mpd h ILE 127 CO 0.01 0.01 0.49 0.11 0.00 0.00 0.00 178.15 178.77 3mpd h LYS 128 N 0.03 0.79 -0.08 2.37 1.57 -1.32 0.25 116.57 120.18 3mpd h LYS 128 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3mpd h LYS 128 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3mpd h LYS 128 CO -0.00 0.52 -0.22 1.25 -0.57 0.00 0.00 179.45 180.43 3mpd h LEU 129 N 0.81 0.34 0.04 2.94 5.85 -0.97 -3.33 115.31 120.99 3mpd h LEU 129 Ca 0.32 -0.59 -0.35 0.00 0.84 0.00 0.00 57.88 58.10 3mpd h LEU 129 Cb 0.21 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3mpd h LEU 129 CO -0.11 0.87 -2.05 0.79 -0.34 0.00 0.00 178.44 177.61 3mpd n TRP 130 N -4.51 0.75 -0.02 1.25 7.02 -0.27 -4.81 117.44 116.86 3mpd n TRP 130 Ca -0.08 0.21 -0.04 0.00 -1.02 0.00 0.00 57.50 56.57 3mpd n TRP 130 Cb 0.43 -1.12 -0.01 0.00 -2.42 0.00 0.00 31.31 28.19 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 -3.17 1.18 -0.58 -0.99 2.08 0.77 -5.08 119.36 113.57 3mpd n ILE 131 Ca -0.29 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3mpd n ILE 131 Cb 1.06 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 38.09 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 2.50 -0.59 0.22 7.39 0.00 -0.47 -4.93 105.19 109.30 3mpd n GLY 132 Ca -0.06 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.43 3mpd n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mpd h ASP 133 N 0.00 0.00 -2.14 1.61 3.45 -1.86 -3.36 116.42 114.12 3mpd h ASP 133 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 3mpd h ASP 133 Cb 0.00 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.36 3mpd h ASP 133 CO 0.00 0.06 -0.76 0.47 -1.57 0.00 0.00 179.24 177.44 3mpd n ASP 134 N -3.12 2.70 -4.69 6.45 8.00 -1.26 -5.04 116.55 119.58 3mpd n ASP 134 Ca 0.03 -3.23 -0.42 0.00 0.71 0.00 0.00 54.79 51.88 3mpd n ASP 134 Cb 0.53 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3mpd n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mpd s VAL 135 N -2.25 4.80 0.42 2.53 1.01 -1.26 -5.03 120.40 120.62 3mpd s VAL 135 Ca 0.39 2.01 -0.24 0.00 0.00 0.00 0.00 61.98 64.14 3mpd s VAL 135 Cb 0.17 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3mpd s VAL 135 CO -0.05 0.02 1.12 -1.10 0.00 0.00 0.00 175.10 175.08 3mpd s GLN 136 N 1.94 4.00 0.19 2.72 -1.52 -1.26 -4.98 119.66 120.75 3mpd s GLN 136 Ca 0.48 1.67 -0.32 0.00 -1.95 0.00 0.00 55.36 55.24 3mpd s GLN 136 Cb -0.18 -2.52 -0.16 0.00 -0.22 0.00 0.00 33.01 29.93 3mpd s GLN 136 CO 0.18 -0.32 1.09 -0.35 -0.25 0.00 0.00 175.29 175.64 3mpd n PRO 137 N -0.19 1.10 -3.95 2.91 -0.04 -1.26 -4.98 135.00 128.60 3mpd n PRO 137 Ca 0.06 0.39 -0.32 0.00 -0.04 0.00 0.00 63.50 63.59 3mpd n PRO 137 Cb 0.48 -1.84 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 3mpd n PRO 137 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mpd s VAL 138 N -0.40 5.23 -0.16 0.52 0.11 -1.26 -5.07 120.40 119.37 3mpd s VAL 138 Ca 0.70 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 3mpd s VAL 138 Cb -0.84 -3.50 -0.00 0.00 -1.53 0.00 0.00 36.38 30.51 3mpd s VAL 138 CO 0.54 0.22 1.03 -0.55 -3.33 0.00 0.00 175.10 173.01 3mpd s SER 139 N -2.22 7.17 -1.35 3.54 0.15 -1.26 -4.96 113.70 114.77 3mpd s SER 139 Ca 0.30 1.47 -0.13 0.00 0.70 0.00 0.00 55.95 58.30 3mpd s SER 139 Cb -0.13 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.74 3mpd s SER 139 CO 0.23 -0.56 1.97 0.49 1.20 0.00 0.00 173.24 176.56 3mpd n PHE 140 N 5.66 3.55 0.22 3.44 3.72 -1.26 -4.85 117.46 127.95 3mpd n PHE 140 Ca 0.10 -2.92 0.06 0.00 -0.05 0.00 0.00 57.45 54.64 3mpd n PHE 140 Cb 0.47 -2.29 0.56 0.00 -0.94 0.00 0.00 39.48 37.28 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 6.16 0.04 0.00 1.38 -5.15 -2.00 -2.20 116.94 115.16 3mpd h PHE 141 Ca 0.47 -0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.21 3mpd h PHE 141 Cb 0.68 -0.01 -0.05 0.00 0.22 0.00 0.00 35.95 36.79 3mpd h PHE 141 CO 1.34 0.11 -0.47 -0.40 -2.00 0.00 0.00 178.31 176.89 3mpd n ASP 142 N -4.43 1.69 -0.28 -0.68 5.68 -1.26 -4.87 116.55 112.39 3mpd n ASP 142 Ca -0.02 -3.46 0.08 0.00 -0.50 0.00 0.00 54.79 50.88 3mpd n ASP 142 Cb 0.16 -0.47 0.23 0.00 -1.14 0.00 0.00 41.12 39.90 3mpd n ASP 142 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3mpd h LYS 143 N 0.78 0.46 0.00 0.11 3.64 -1.80 -1.01 116.57 118.74 3mpd h LYS 143 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3mpd h LYS 143 Cb 1.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3mpd h LYS 143 CO 0.01 0.30 0.00 0.93 -2.27 0.00 0.00 179.45 178.43 3mpd h GLU 144 N 0.47 0.00 -0.00 1.90 3.07 -1.87 0.18 114.58 118.34 3mpd h GLU 144 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3mpd h GLU 144 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3mpd h GLU 144 CO -0.44 0.00 -0.45 0.91 -1.40 0.00 0.00 179.01 177.63 3mpd n TRP 145 N -3.08 0.00 0.00 4.33 8.01 -0.39 -4.59 117.44 121.73 3mpd n TRP 145 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 3mpd n TRP 145 Cb 0.21 -0.22 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 -1.33 0.00 0.97 -0.99 5.41 -0.80 -5.18 119.36 117.45 3mpd n ILE 146 Ca 0.07 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.94 3mpd n ILE 146 Cb 0.34 -1.18 0.10 0.00 -0.71 0.00 0.00 39.64 38.18 3mpd n ILE 146 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33