#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxd n PRO 6 N 0.00 2.14 -0.34 -1.09 -0.04 -1.26 -4.83 135.00 129.58 1xxd n PRO 6 Ca 0.00 0.78 0.20 0.00 -0.04 0.00 0.00 63.50 64.44 1xxd n PRO 6 Cb 0.00 -2.59 0.44 0.00 -0.04 0.00 0.00 33.50 31.30 1xxd n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xxd h LEU 7 N 7.92 0.58 0.00 1.53 5.85 -2.02 0.22 115.31 129.38 1xxd h LEU 7 Ca -0.47 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1xxd h LEU 7 Cb 1.27 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1xxd h LEU 7 CO 0.92 0.11 0.00 -0.62 -0.34 0.00 0.00 178.44 178.51 1xxd n GLU 8 N -4.76 0.09 0.08 1.25 1.02 -1.26 -2.64 120.64 114.41 1xxd n GLU 8 Ca 0.26 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.77 1xxd n GLU 8 Cb 0.80 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 31.18 1xxd n GLU 8 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xxd n LYS 9 N -1.39 0.19 -0.09 3.49 4.81 0.76 -3.94 118.16 121.99 1xxd n LYS 9 Ca 0.04 0.15 -0.12 0.00 -0.87 0.00 0.00 58.31 57.51 1xxd n LYS 9 Cb 0.11 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 1xxd n LYS 9 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1xxd n ILE 10 N -2.05 1.49 -3.93 3.15 5.41 -1.08 -5.06 119.36 117.29 1xxd n ILE 10 Ca 0.06 0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.78 1xxd n ILE 10 Cb 0.41 -2.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.00 1xxd n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xxd s ALA 11 N -2.77 -0.00 -1.01 -1.39 0.00 -1.24 -5.07 121.76 110.27 1xxd s ALA 11 Ca -0.27 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1xxd s ALA 11 Cb 0.06 0.58 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 1xxd s ALA 11 CO 0.40 -0.52 2.13 -2.30 0.00 0.00 0.00 175.76 175.47 1xxd n PRO 12 N -0.08 2.12 -2.30 0.00 -0.02 -1.26 -4.26 135.00 129.21 1xxd n PRO 12 Ca -0.12 -1.88 -0.43 0.00 -2.02 0.00 0.00 63.50 59.05 1xxd n PRO 12 Cb 0.62 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1xxd n PRO 12 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1xxd s TYR 13 N 3.93 2.44 0.37 6.00 2.02 -1.26 -4.96 117.35 125.89 1xxd s TYR 13 Ca 0.51 0.73 -0.23 0.00 -0.37 0.00 0.00 57.07 57.71 1xxd s TYR 13 Cb 0.13 -3.95 -0.14 0.00 -0.40 0.00 0.00 41.96 37.60 1xxd s TYR 13 CO 0.02 -2.21 0.49 -0.35 -1.57 0.00 0.00 175.55 171.93 1xxd n PRO 14 N 7.48 0.43 -1.70 -1.71 -0.04 -1.26 -4.94 135.00 133.26 1xxd n PRO 14 Ca 0.16 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.46 1xxd n PRO 14 Cb 0.46 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1xxd n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xxd s GLN 15 N -1.37 2.90 0.50 0.54 -1.52 -1.26 -4.98 119.66 114.48 1xxd s GLN 15 Ca 0.62 1.16 -0.23 0.00 -1.95 0.00 0.00 55.36 54.96 1xxd s GLN 15 Cb -0.67 -1.98 -0.06 0.00 -0.22 0.00 0.00 33.01 30.08 1xxd s GLN 15 CO 0.59 -1.14 1.36 0.00 -0.25 0.00 0.00 175.29 175.85 1xxd s ALA 16 N -2.69 2.97 0.02 6.09 0.00 -1.26 -4.98 121.76 121.91 1xxd s ALA 16 Ca 0.62 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.75 1xxd s ALA 16 Cb -0.16 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1xxd s ALA 16 CO 0.47 -1.24 0.49 -1.21 0.00 0.00 0.00 175.76 174.27 1xxd s GLU 17 N -2.72 4.11 -0.10 0.00 2.02 -1.26 -4.90 118.70 115.84 1xxd s GLU 17 Ca 0.67 0.57 -0.10 0.00 0.02 0.00 0.00 54.97 56.14 1xxd s GLU 17 Cb -0.40 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 1xxd s GLU 17 CO 0.49 0.59 0.37 1.63 0.02 0.00 0.00 175.26 178.37 1xxd n LYS 18 N 2.05 0.00 -0.44 1.61 5.02 -1.26 0.66 118.16 125.81 1xxd n LYS 18 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1xxd n LYS 18 Cb 0.51 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1xxd n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxd n GLY 19 N 1.11 0.74 3.36 0.72 0.00 -1.26 -5.04 105.19 104.81 1xxd n GLY 19 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1xxd n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxd s MET 20 N -0.56 1.43 0.05 1.61 -1.94 0.21 -1.09 119.30 119.02 1xxd s MET 20 Ca 0.00 -1.75 -0.03 0.00 -1.71 0.00 0.00 55.69 52.20 1xxd s MET 20 Cb 0.00 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.21 1xxd s MET 20 CO 0.00 -0.16 0.03 -1.59 -0.01 0.00 0.00 175.02 173.29 1xxd s LYS 21 N -3.90 0.63 -0.24 2.03 -2.85 -0.07 -4.40 119.74 110.94 1xxd s LYS 21 Ca 0.32 -1.08 -0.10 0.00 -1.00 0.00 0.00 55.97 54.11 1xxd s LYS 21 Cb 0.07 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1xxd s LYS 21 CO 0.11 -0.14 0.15 0.50 0.10 0.00 0.00 175.35 176.08 1xxd s ARG 22 N -3.61 4.05 -0.18 1.78 3.52 -1.26 -2.16 118.95 121.09 1xxd s ARG 22 Ca 0.04 -0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.31 1xxd s ARG 22 Cb 0.05 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1xxd s ARG 22 CO -0.09 0.06 -0.01 -0.65 -0.81 0.00 0.00 175.30 173.79 1xxd s GLN 23 N 1.06 3.66 -0.07 5.12 -0.21 0.10 -4.96 119.66 124.37 1xxd s GLN 23 Ca 0.07 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.96 1xxd s GLN 23 Cb -0.14 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.83 1xxd s GLN 23 CO 0.04 0.12 -0.09 0.08 -2.12 0.00 0.00 175.29 173.32 1xxd s VAL 24 N 0.69 3.47 -0.17 1.09 1.01 -1.26 -0.16 120.40 125.08 1xxd s VAL 24 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1xxd s VAL 24 Cb -0.14 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1xxd s VAL 24 CO 0.02 0.59 -0.10 -0.63 0.00 0.00 0.00 175.10 174.98 1xxd s ILE 25 N -0.67 1.48 -0.30 2.22 1.01 0.73 -4.92 121.20 120.74 1xxd s ILE 25 Ca 0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1xxd s ILE 25 Cb -0.11 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1xxd s ILE 25 CO 0.01 0.27 0.05 -1.58 0.00 0.00 0.00 174.94 173.69 1xxd s GLN 26 N 1.49 2.79 0.38 2.79 2.00 -1.26 -0.51 119.66 127.35 1xxd s GLN 26 Ca 0.01 -1.05 -0.13 0.00 -2.00 0.00 0.00 55.36 52.19 1xxd s GLN 26 Cb -0.15 -3.31 -0.08 0.00 0.80 0.00 0.00 33.01 30.27 1xxd s GLN 26 CO -0.09 -0.54 0.79 -0.51 -0.50 0.00 0.00 175.29 174.44 1xxd s LEU 27 N 1.40 3.91 0.20 3.68 1.43 -1.26 -5.04 118.68 123.00 1xxd s LEU 27 Ca -0.00 1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 54.18 1xxd s LEU 27 Cb -0.18 -4.12 -0.08 0.00 0.03 0.00 0.00 46.19 41.84 1xxd s LEU 27 CO 0.01 -0.33 0.68 0.42 0.23 0.00 0.00 176.35 177.35 1xxd s THR 28 N -2.22 4.64 0.56 5.49 -4.23 -1.26 -4.71 115.64 113.90 1xxd s THR 28 Ca 0.54 1.18 -0.19 0.00 -1.18 0.00 0.00 61.69 62.03 1xxd s THR 28 Cb -0.10 -3.83 -0.07 0.00 1.34 0.00 0.00 72.50 69.84 1xxd s THR 28 CO 0.24 0.23 0.85 -2.65 -0.54 0.00 0.00 174.62 172.75 1xxd n PRO 29 N 0.79 0.87 -3.87 3.99 -0.02 -1.26 -4.81 135.00 130.69 1xxd n PRO 29 Ca -0.03 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1xxd n PRO 29 Cb 0.51 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 1xxd n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xxd s GLN 30 N -2.42 0.46 0.17 -0.52 -1.52 -1.26 -5.06 119.66 109.50 1xxd s GLN 30 Ca 0.71 -0.35 -0.22 0.00 -1.95 0.00 0.00 55.36 53.56 1xxd s GLN 30 Cb -0.45 0.19 0.07 0.00 -0.22 0.00 0.00 33.01 32.60 1xxd s GLN 30 CO 0.51 -0.11 1.61 0.93 -0.25 0.00 0.00 175.29 177.98 1xxd h GLU 31 N 4.40 -0.22 -2.86 2.91 4.39 -2.05 -3.33 114.58 117.82 1xxd h GLU 31 Ca -0.30 0.02 -0.60 0.00 0.34 0.00 0.00 59.36 58.81 1xxd h GLU 31 Cb 1.19 0.05 -0.40 0.00 -0.10 0.00 0.00 28.75 29.50 1xxd h GLU 31 CO 0.40 -0.15 -0.77 0.34 -1.16 0.00 0.00 179.01 177.67 1xxd s ASP 32 N -5.08 3.39 0.09 1.42 2.15 -1.26 -4.94 116.67 112.45 1xxd s ASP 32 Ca -0.15 -2.58 0.22 0.00 0.43 0.00 0.00 52.55 50.47 1xxd s ASP 32 Cb 0.14 -0.86 0.87 0.00 -0.30 0.00 0.00 42.92 42.77 1xxd s ASP 32 CO 0.68 -0.27 1.67 -0.62 -0.17 0.00 0.00 175.17 176.47 1xxd n GLU 33 N 3.58 0.08 0.00 4.34 1.02 -1.25 -2.86 120.64 125.55 1xxd n GLU 33 Ca 0.11 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.52 1xxd n GLU 33 Cb 0.36 -1.63 0.20 0.00 -0.02 0.00 0.00 31.44 30.35 1xxd n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xxd n SER 34 N -1.77 0.02 -0.49 1.62 3.41 -1.26 -0.34 113.62 114.80 1xxd n SER 34 Ca 0.04 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 1xxd n SER 34 Cb 0.26 -0.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.80 1xxd n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xxd n THR 35 N -1.52 0.64 -4.14 6.66 -2.24 -1.14 -5.00 114.28 107.54 1xxd n THR 35 Ca 0.02 -0.82 -0.22 0.00 -2.27 0.00 0.00 64.05 60.76 1xxd n THR 35 Cb 0.10 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1xxd n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xxd s LEU 36 N -0.93 3.45 0.07 3.22 1.43 0.54 -1.66 118.68 124.81 1xxd s LEU 36 Ca 0.17 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1xxd s LEU 36 Cb 0.10 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1xxd s LEU 36 CO 0.13 -0.11 0.41 -0.54 0.23 0.00 0.00 176.35 176.47 1xxd s LYS 37 N -3.80 0.98 -0.14 1.70 1.02 -0.34 -3.48 119.74 115.69 1xxd s LYS 37 Ca 0.34 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1xxd s LYS 37 Cb -0.06 0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1xxd s LYS 37 CO 0.23 -0.35 -0.17 0.08 -0.92 0.00 0.00 175.35 174.22 1xxd s VAL 38 N -2.99 1.69 -0.21 3.17 1.01 -0.03 -0.37 120.40 122.68 1xxd s VAL 38 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1xxd s VAL 38 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1xxd s VAL 38 CO -0.06 0.48 0.26 -0.70 0.00 0.00 0.00 175.10 175.08 1xxd s GLU 39 N 1.19 4.16 -0.31 2.72 2.12 -0.69 -0.57 118.70 127.31 1xxd s GLU 39 Ca -0.01 -0.03 -0.20 0.00 0.36 0.00 0.00 54.97 55.09 1xxd s GLU 39 Cb -0.14 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1xxd s GLU 39 CO -0.07 0.09 0.61 -0.51 -0.54 0.00 0.00 175.26 174.85 1xxd s LEU 40 N 0.94 4.17 -1.05 2.70 1.43 0.01 -2.14 118.68 124.75 1xxd s LEU 40 Ca 0.13 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1xxd s LEU 40 Cb -0.14 -2.78 0.26 0.00 0.03 0.00 0.00 46.19 43.57 1xxd s LEU 40 CO 0.05 -0.48 1.02 -0.76 0.23 0.00 0.00 176.35 176.40 1xxd s LEU 41 N 2.59 6.15 0.12 1.79 1.43 0.28 -4.93 118.68 126.10 1xxd s LEU 41 Ca 0.24 -3.62 -0.15 0.00 -1.03 0.00 0.00 54.13 49.58 1xxd s LEU 41 Cb -0.15 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1xxd s LEU 41 CO 0.12 -0.26 0.53 -0.63 0.23 0.00 0.00 176.35 176.33 1xxd s ILE 42 N -1.27 4.88 -5.00 -0.59 1.01 -1.26 -0.18 121.20 118.79 1xxd s ILE 42 Ca 0.30 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1xxd s ILE 42 Cb -0.09 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1xxd s ILE 42 CO -0.09 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1xxd n GLY 43 N 1.03 -0.56 3.22 6.18 0.00 -0.68 -1.28 105.19 113.10 1xxd n GLY 43 Ca -0.07 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1xxd n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xxd s GLN 44 N -2.00 0.65 -0.13 1.61 -2.07 -0.11 -0.51 119.66 117.10 1xxd s GLN 44 Ca 0.00 -0.27 -0.29 0.00 -1.82 0.00 0.00 55.36 52.98 1xxd s GLN 44 Cb 0.00 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1xxd s GLN 44 CO 0.00 -0.18 1.28 0.99 -1.32 0.00 0.00 175.29 176.06 1xxd s THR 45 N -1.48 4.21 0.07 3.63 2.01 -1.26 -1.88 115.64 120.94 1xxd s THR 45 Ca -0.13 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1xxd s THR 45 Cb -0.05 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1xxd s THR 45 CO 0.03 -0.10 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.05 1xxd s LEU 46 N 3.21 2.47 -0.59 4.42 1.43 -0.11 -4.97 118.68 124.55 1xxd s LEU 46 Ca 0.56 -0.94 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 1xxd s LEU 46 Cb -0.23 0.06 0.08 0.00 0.03 0.00 0.00 46.19 46.13 1xxd s LEU 46 CO 0.17 -0.50 0.78 -0.70 0.23 0.00 0.00 176.35 176.33 1xxd s GLU 47 N -3.58 3.09 0.56 1.70 2.56 -1.26 -1.02 118.70 120.75 1xxd s GLU 47 Ca 0.06 -1.04 0.07 0.00 0.00 0.00 0.00 54.97 54.07 1xxd s GLU 47 Cb 0.05 -4.21 0.06 0.00 2.00 0.00 0.00 34.13 32.03 1xxd s GLU 47 CO -0.07 -1.56 0.56 0.14 -0.56 0.00 0.00 175.26 173.77 1xxd s VAL 48 N 3.16 1.78 0.00 3.70 -7.23 -1.13 -4.83 120.40 115.85 1xxd s VAL 48 Ca 0.16 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1xxd s VAL 48 Cb -0.20 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1xxd s VAL 48 CO 0.09 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.98 1xxd n ASP 49 N -1.97 0.00 -0.01 4.85 5.75 -1.26 -2.81 116.55 121.09 1xxd n ASP 49 Ca 0.05 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.91 1xxd n ASP 49 Cb 0.63 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.58 1xxd n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xxd n ASN 51 N -2.18 0.62 -4.43 0.00 5.03 -1.26 -4.82 115.26 108.21 1xxd n ASN 51 Ca -0.05 -0.22 -0.37 0.00 0.87 0.00 0.00 54.58 54.81 1xxd n ASN 51 Cb 0.53 0.48 -0.12 0.00 -1.02 0.00 0.00 39.78 39.64 1xxd n ASN 51 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xxd s LEU 52 N -3.58 3.65 0.00 3.41 2.96 -1.26 -1.68 118.68 122.17 1xxd s LEU 52 Ca 0.07 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1xxd s LEU 52 Cb 0.15 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1xxd s LEU 52 CO 0.75 -0.09 0.00 1.41 -1.32 0.00 0.00 176.35 177.10 1xxd n HIS 53 N 4.93 0.00 -4.11 5.38 8.25 -1.26 -4.61 115.22 123.80 1xxd n HIS 53 Ca -0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 1xxd n HIS 53 Cb 0.50 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 1xxd n HIS 53 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1xxd s ARG 54 N -1.64 0.55 0.52 -0.41 3.52 -1.26 -4.53 118.95 115.70 1xxd s ARG 54 Ca 0.00 -0.67 -0.13 0.00 -0.13 0.00 0.00 55.73 54.80 1xxd s ARG 54 Cb 0.00 -0.39 -0.06 0.00 -1.56 0.00 0.00 34.95 32.93 1xxd s ARG 54 CO 0.00 0.08 0.95 -0.51 -0.81 0.00 0.00 175.30 175.01 1xxd s LEU 55 N -1.30 3.55 0.24 -0.88 1.43 0.11 -4.76 118.68 117.08 1xxd s LEU 55 Ca -0.07 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1xxd s LEU 55 Cb -0.08 -4.38 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 1xxd s LEU 55 CO 0.00 -0.63 0.49 -0.83 0.23 0.00 0.00 176.35 175.62 1xxd s GLY 56 N -3.43 1.96 0.00 -3.19 0.00 -0.82 -3.90 107.32 97.93 1xxd s GLY 56 Ca 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1xxd s GLY 56 CO 0.38 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1xxd n GLY 57 N -0.62 4.23 3.23 0.20 0.00 -0.76 -3.23 105.19 108.24 1xxd n GLY 57 Ca -0.02 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1xxd n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxd s LYS 58 N -3.77 1.00 -0.11 1.61 2.47 -1.08 -4.66 119.74 115.20 1xxd s LYS 58 Ca 0.00 -1.43 -0.11 0.00 -1.56 0.00 0.00 55.97 52.87 1xxd s LYS 58 Cb 0.00 -0.47 -0.05 0.00 -1.46 0.00 0.00 37.83 35.85 1xxd s LYS 58 CO 0.00 0.03 0.26 -1.17 0.16 0.00 0.00 175.35 174.63 1xxd s LEU 59 N -3.13 4.35 -0.08 5.43 2.96 -1.26 -2.37 118.68 124.58 1xxd s LEU 59 Ca 0.16 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1xxd s LEU 59 Cb 0.04 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1xxd s LEU 59 CO -0.01 0.27 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.50 1xxd s GLU 60 N -0.45 2.80 -0.22 1.98 2.02 -0.89 -4.96 118.70 118.98 1xxd s GLU 60 Ca 0.17 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 1xxd s GLU 60 Cb -0.13 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1xxd s GLU 60 CO 0.06 0.40 0.35 1.21 0.02 0.00 0.00 175.26 177.31 1xxd s ASN 61 N -0.18 6.34 0.38 -0.19 3.84 -1.26 -2.17 114.94 121.69 1xxd s ASN 61 Ca -0.01 0.40 0.07 0.00 0.21 0.00 0.00 52.86 53.53 1xxd s ASN 61 Cb -0.13 -2.21 -0.07 0.00 -0.55 0.00 0.00 41.25 38.29 1xxd s ASN 61 CO 0.03 -0.08 -0.02 -0.54 -2.79 0.00 0.00 177.10 173.71 1xxd s LYS 62 N 1.45 1.87 -0.06 0.43 1.02 -0.33 -5.00 119.74 119.12 1xxd s LYS 62 Ca 0.16 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1xxd s LYS 62 Cb -0.15 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1xxd s LYS 62 CO 0.08 -0.01 -0.03 0.99 -0.92 0.00 0.00 175.35 175.46 1xxd s THR 63 N -2.76 0.55 -1.10 2.17 2.01 -1.26 -2.58 115.64 112.67 1xxd s THR 63 Ca 0.34 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 1xxd s THR 63 Cb 0.07 -0.62 -0.15 0.00 0.01 0.00 0.00 72.50 71.81 1xxd s THR 63 CO 0.17 0.26 1.99 -0.11 -0.69 0.00 0.00 174.62 176.23 1xxd n LEU 64 N 4.51 2.44 -0.98 4.42 7.94 -0.39 -4.87 117.00 130.08 1xxd n LEU 64 Ca -0.17 -2.88 -0.14 0.00 -1.11 0.00 0.00 56.01 51.71 1xxd n LEU 64 Cb 0.50 -1.68 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 1xxd n LEU 64 CO 0.18 -2.43 0.34 1.21 -1.11 0.00 0.00 177.39 175.58 1xxd n GLU 65 N 8.16 0.00 -0.43 1.96 2.13 -1.26 -0.33 120.64 130.88 1xxd n GLU 65 Ca 0.44 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1xxd n GLU 65 Cb 0.46 -0.33 0.00 0.00 0.27 0.00 0.00 31.44 31.84 1xxd n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxd n GLY 66 N 1.40 0.75 0.00 8.31 0.00 -1.26 -4.91 105.19 109.48 1xxd n GLY 66 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xxd n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xxd n TRP 67 N -2.22 0.00 -0.08 1.61 7.02 0.56 -5.04 117.44 119.29 1xxd n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xxd n TRP 67 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1xxd n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xxd n GLY 68 N 2.95 0.90 3.85 6.99 0.00 -1.24 -5.02 105.19 113.62 1xxd n GLY 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xxd n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxd s TYR 69 N -2.40 3.42 0.08 1.61 2.02 -1.26 -4.86 117.35 115.96 1xxd s TYR 69 Ca 0.00 1.39 0.09 0.00 -0.37 0.00 0.00 57.07 58.19 1xxd s TYR 69 Cb 0.00 -2.80 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 1xxd s TYR 69 CO 0.00 -0.71 -0.25 -0.51 -1.57 0.00 0.00 175.55 172.52 1xxd s ASP 70 N -3.60 3.37 0.04 2.29 1.01 -1.26 -1.26 116.67 117.27 1xxd s ASP 70 Ca 0.58 -0.61 -0.00 0.00 0.71 0.00 0.00 52.55 53.22 1xxd s ASP 70 Cb -0.12 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.44 1xxd s ASP 70 CO 0.45 0.23 -0.03 -0.72 0.21 0.00 0.00 175.17 175.30 1xxd s TYR 71 N -0.93 0.48 0.18 4.23 -0.85 -1.06 -4.43 117.35 114.97 1xxd s TYR 71 Ca 0.13 -0.88 0.09 0.00 -0.52 0.00 0.00 57.07 55.89 1xxd s TYR 71 Cb -0.10 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 1xxd s TYR 71 CO 0.04 -0.29 -0.08 0.71 -1.52 0.00 0.00 175.55 174.41 1xxd s TYR 72 N -3.07 2.67 -0.10 -3.49 1.51 0.14 -1.19 117.35 113.82 1xxd s TYR 72 Ca -0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1xxd s TYR 72 Cb 0.02 -1.30 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1xxd s TYR 72 CO -0.07 0.51 0.07 0.08 -1.11 0.00 0.00 175.55 175.03 1xxd s VAL 73 N -1.71 -0.03 -0.08 0.71 1.01 -0.92 0.11 120.40 119.48 1xxd s VAL 73 Ca 0.25 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 1xxd s VAL 73 Cb -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1xxd s VAL 73 CO 0.16 -0.01 0.77 0.12 0.00 0.00 0.00 175.10 176.14 1xxd s PHE 74 N 2.13 3.55 0.09 5.22 5.36 0.21 -2.08 117.98 132.46 1xxd s PHE 74 Ca 0.04 1.32 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1xxd s PHE 74 Cb -0.14 -2.90 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1xxd s PHE 74 CO -0.06 -0.00 0.09 -3.47 -1.46 0.00 0.00 175.22 170.32 1xxd n ASP 75 N 4.13 -0.25 -3.90 6.13 2.03 -1.00 -4.51 116.55 119.19 1xxd n ASP 75 Ca 0.01 -1.54 -0.35 0.00 0.52 0.00 0.00 54.79 53.43 1xxd n ASP 75 Cb 0.51 0.52 0.01 0.00 -0.72 0.00 0.00 41.12 41.44 1xxd n ASP 75 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xxd n LYS 76 N -0.16 -0.88 -3.59 -0.67 5.02 -1.26 -2.64 118.16 113.98 1xxd n LYS 76 Ca 0.01 0.42 -0.22 0.00 -2.02 0.00 0.00 58.31 56.51 1xxd n LYS 76 Cb 0.16 -2.67 -0.01 0.00 -0.02 0.00 0.00 35.03 32.49 1xxd n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xxd s VAL 77 N -3.29 4.84 -0.30 -0.18 1.01 -1.26 -1.83 120.40 119.40 1xxd s VAL 77 Ca 0.28 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1xxd s VAL 77 Cb -0.15 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.69 1xxd s VAL 77 CO 0.93 -0.36 1.26 -0.94 0.00 0.00 0.00 175.10 175.99 1xxd s SER 78 N -4.06 -0.08 -0.88 3.32 1.04 -1.20 -4.88 113.70 106.96 1xxd s SER 78 Ca 0.39 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.92 1xxd s SER 78 Cb -0.09 1.09 0.33 0.00 0.10 0.00 0.00 66.02 67.45 1xxd s SER 78 CO 0.32 -0.02 1.61 -1.54 0.98 0.00 0.00 173.24 174.60 1xxd n SER 79 N 4.87 6.58 -1.07 7.02 3.41 -1.26 -1.95 113.62 131.22 1xxd n SER 79 Ca -0.07 -3.71 -0.01 0.00 -0.26 0.00 0.00 58.87 54.82 1xxd n SER 79 Cb 0.55 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 63.51 1xxd n SER 79 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xxd n ASN 80 N -0.18 0.05 -4.35 4.04 6.94 -1.26 -5.05 115.26 115.45 1xxd n ASN 80 Ca 0.44 -1.88 -0.43 0.00 -0.02 0.00 0.00 54.58 52.68 1xxd n ASN 80 Cb 0.31 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.60 1xxd n ASN 80 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1xxd s ASP 81 N -1.28 6.00 0.27 0.53 1.11 -1.26 -5.05 116.67 116.99 1xxd s ASP 81 Ca 0.14 -1.38 0.03 0.00 0.18 0.00 0.00 52.55 51.52 1xxd s ASP 81 Cb 0.15 -2.13 -0.06 0.00 1.07 0.00 0.00 42.92 41.96 1xxd s ASP 81 CO -0.07 -0.62 0.04 0.72 1.18 0.00 0.00 175.17 176.43 1xxd s PHE 82 N 1.58 1.70 0.00 4.23 -0.12 -1.26 -4.48 117.98 119.63 1xxd s PHE 82 Ca 0.04 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.93 1xxd s PHE 82 Cb -0.24 -1.03 0.00 0.00 -0.63 0.00 0.00 43.02 41.12 1xxd s PHE 82 CO 0.05 -0.08 0.00 0.25 -0.05 0.00 0.00 175.22 175.39 1xxd n THR 83 N -0.52 0.00 -3.17 -4.49 -2.24 -0.68 -5.01 114.28 98.17 1xxd n THR 83 Ca -0.03 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1xxd n THR 83 Cb 0.65 -1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1xxd n THR 83 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xxd n ARG 84 N 0.00 1.20 -4.43 -0.78 5.12 -1.26 -4.94 116.66 111.57 1xxd n ARG 84 Ca 0.00 -3.53 -0.24 0.00 -1.93 0.00 0.00 57.85 52.14 1xxd n ARG 84 Cb 0.00 -1.74 -0.09 0.00 -1.16 0.00 0.00 32.46 29.47 1xxd n ARG 84 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xxd s VAL 85 N -2.57 2.60 0.04 1.55 1.01 -1.26 -5.13 120.40 116.63 1xxd s VAL 85 Ca 0.41 -2.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.07 1xxd s VAL 85 Cb 0.33 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1xxd s VAL 85 CO -0.09 -0.30 0.43 -0.69 0.00 0.00 0.00 175.10 174.46 1xxd s VAL 86 N -2.51 5.00 0.00 2.92 1.01 -1.26 -4.89 120.40 120.67 1xxd s VAL 86 Ca 0.32 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1xxd s VAL 86 Cb -0.02 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1xxd s VAL 86 CO 0.17 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.75 1xxd n LYS 92 N 0.00 0.67 -2.85 0.00 0.00 -1.26 -5.13 118.16 109.59 1xxd n LYS 92 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 58.31 58.54 1xxd n LYS 92 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 35.03 33.20 1xxd n LYS 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1xxd s GLU 93 N 2.08 0.56 -0.41 1.64 -6.30 -1.12 -5.00 118.70 110.15 1xxd s GLU 93 Ca 0.95 -0.39 -0.27 0.00 -2.50 0.00 0.00 54.97 52.77 1xxd s GLU 93 Cb -1.18 0.02 -0.06 0.00 0.00 0.00 0.00 34.13 32.90 1xxd s GLU 93 CO 0.64 -0.75 2.36 1.17 0.02 0.00 0.00 175.26 178.70 1xxd n LYS 94 N 3.42 1.31 -4.43 4.30 4.81 -1.26 -2.82 118.16 123.50 1xxd n LYS 94 Ca 0.11 0.15 -0.21 0.00 -0.87 0.00 0.00 58.31 57.50 1xxd n LYS 94 Cb 0.60 -3.38 -0.10 0.00 0.02 0.00 0.00 35.03 32.17 1xxd n LYS 94 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1xxd s LYS 95 N 7.72 1.56 -0.69 1.64 2.47 -0.19 -4.94 119.74 127.32 1xxd s LYS 95 Ca 0.99 -1.81 -0.17 0.00 -1.56 0.00 0.00 55.97 53.42 1xxd s LYS 95 Cb -0.23 -1.07 0.14 0.00 -1.46 0.00 0.00 37.83 35.20 1xxd s LYS 95 CO 0.29 -0.02 0.76 0.12 0.16 0.00 0.00 175.35 176.66 1xxd s PHE 96 N -3.09 3.21 -0.12 4.03 5.36 -1.26 -0.93 117.98 125.18 1xxd s PHE 96 Ca 0.31 -1.29 -0.25 0.00 -0.96 0.00 0.00 56.93 54.74 1xxd s PHE 96 Cb 0.05 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.72 1xxd s PHE 96 CO 0.12 -1.23 0.81 0.08 -1.46 0.00 0.00 175.22 173.55 1xxd s VAL 97 N 2.01 4.93 0.39 3.12 1.01 -0.79 -4.90 120.40 126.17 1xxd s VAL 97 Ca 0.15 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.83 1xxd s VAL 97 Cb -0.19 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1xxd s VAL 97 CO 0.00 0.11 0.19 0.42 0.00 0.00 0.00 175.10 175.82 1xxd s THR 98 N 1.62 2.54 -0.19 3.92 -4.23 -1.26 -0.94 115.64 117.10 1xxd s THR 98 Ca 0.40 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 59.16 1xxd s THR 98 Cb -0.17 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 1xxd s THR 98 CO 0.16 -0.05 0.10 0.00 -0.54 0.00 0.00 174.62 174.29 1xxd s ALA 99 N -2.54 3.59 -0.23 3.99 0.00 -0.40 0.09 121.76 126.26 1xxd s ALA 99 Ca 0.41 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 1xxd s ALA 99 Cb 0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1xxd s ALA 99 CO 0.23 0.18 1.97 -0.47 0.00 0.00 0.00 175.76 177.68 1xxd s TYR 100 N 0.32 1.52 -0.22 0.00 5.04 -1.25 -4.79 117.35 117.97 1xxd s TYR 100 Ca 0.06 0.47 -0.20 0.00 -2.44 0.00 0.00 57.07 54.97 1xxd s TYR 100 Cb -0.11 -4.03 -0.17 0.00 0.35 0.00 0.00 41.96 37.99 1xxd s TYR 100 CO -0.01 -3.70 0.10 1.28 -1.34 0.00 0.00 175.55 171.88 1xxd n LEU 101 N 10.39 1.87 0.00 6.97 4.77 -1.26 -4.86 117.00 134.88 1xxd n LEU 101 Ca 0.25 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1xxd n LEU 101 Cb 0.45 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1xxd n LEU 101 CO 0.67 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1xxd n GLY 102 N 1.41 0.80 0.22 -0.72 0.00 -1.26 -4.37 105.19 101.27 1xxd n GLY 102 Ca -0.35 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.08 1xxd n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xxd h ASP 103 N 0.00 0.00 0.64 1.61 3.32 -1.98 -2.46 116.42 117.55 1xxd h ASP 103 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xxd h ASP 103 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xxd h ASP 103 CO 0.00 0.24 -0.09 0.00 -1.72 0.00 0.00 179.24 177.66 1xxd h ALA 104 N 1.76 1.10 0.00 3.45 0.00 -2.01 -2.78 119.26 120.78 1xxd h ALA 104 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xxd h ALA 104 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xxd h ALA 104 CO 0.03 0.12 0.00 0.78 0.00 0.00 0.00 179.25 180.18 1xxd h GLY 105 N 1.37 0.00 -6.94 0.00 0.00 -1.69 -3.42 103.07 92.39 1xxd h GLY 105 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1xxd h GLY 105 CO 0.01 0.00 -0.14 1.06 0.00 0.00 0.00 176.54 177.48 1xxd s MET 106 N -3.48 4.06 0.11 4.80 1.00 -1.05 -0.81 119.30 123.94 1xxd s MET 106 Ca 0.03 0.19 0.10 0.00 0.00 0.00 0.00 55.69 56.01 1xxd s MET 106 Cb 0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 34.83 31.25 1xxd s MET 106 CO 0.53 -0.27 -0.25 -0.51 0.00 0.00 0.00 175.02 174.52 1xxd s LEU 107 N 2.05 2.30 0.52 -0.03 1.43 0.27 -4.96 118.68 120.25 1xxd s LEU 107 Ca 0.18 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 1xxd s LEU 107 Cb -0.16 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 1xxd s LEU 107 CO 0.09 0.15 1.35 -0.60 0.23 0.00 0.00 176.35 177.58 1xxd s ARG 108 N -1.92 3.31 -0.73 1.70 3.52 -1.26 -0.85 118.95 122.73 1xxd s ARG 108 Ca 0.11 2.23 -0.24 0.00 -0.13 0.00 0.00 55.73 57.71 1xxd s ARG 108 Cb -0.10 -2.36 0.06 0.00 -1.56 0.00 0.00 34.95 31.00 1xxd s ARG 108 CO 0.05 -1.05 1.09 -0.47 -0.81 0.00 0.00 175.30 174.12 1xxd s TYR 109 N -1.30 2.59 -0.36 5.12 6.14 -1.23 -4.63 117.35 123.67 1xxd s TYR 109 Ca 0.69 -0.50 0.03 0.00 0.64 0.00 0.00 57.07 57.93 1xxd s TYR 109 Cb -0.40 -4.41 0.11 0.00 0.42 0.00 0.00 41.96 37.68 1xxd s TYR 109 CO 0.48 -1.77 0.10 1.21 0.64 0.00 0.00 175.55 176.21 1xxd s ASN 110 N 3.77 4.49 0.22 4.32 2.47 -1.26 -4.69 114.94 124.26 1xxd s ASN 110 Ca 0.28 -2.19 0.22 0.00 0.42 0.00 0.00 52.86 51.58 1xxd s ASN 110 Cb -0.12 -1.44 0.92 0.00 -1.45 0.00 0.00 41.25 39.16 1xxd s ASN 110 CO 0.09 -0.36 1.66 -1.54 -3.72 0.00 0.00 177.10 173.23 1xxd n SER 111 N 4.18 0.55 0.04 -4.21 3.41 -1.26 -2.78 113.62 113.55 1xxd n SER 111 Ca 0.03 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1xxd n SER 111 Cb 0.40 -0.75 0.31 0.00 -0.26 0.00 0.00 64.21 63.91 1xxd n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xxd h LYS 112 N 0.00 0.43 -5.68 4.33 1.57 -1.92 -3.44 116.57 111.87 1xxd h LYS 112 Ca 0.00 -0.10 -0.53 0.00 -1.87 0.00 0.00 60.65 58.14 1xxd h LYS 112 Cb 0.33 -0.06 -0.28 0.00 0.08 0.00 0.00 32.23 32.30 1xxd h LYS 112 CO 0.00 0.52 -0.83 -0.51 -0.57 0.00 0.00 179.45 178.06 1xxd s LEU 113 N -8.92 2.08 0.87 2.94 1.43 -1.12 -5.14 118.68 110.82 1xxd s LEU 113 Ca -0.07 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1xxd s LEU 113 Cb 0.15 -0.86 0.11 0.00 0.03 0.00 0.00 46.19 45.62 1xxd s LEU 113 CO 0.76 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 176.45 1xxd s PRO 114 N -0.67 1.50 -0.27 1.29 0.04 -1.26 -4.82 135.00 130.82 1xxd s PRO 114 Ca 0.06 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 61.90 1xxd s PRO 114 Cb -0.07 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1xxd s PRO 114 CO 0.00 -2.08 0.02 0.42 0.04 0.00 0.00 177.00 175.40 1xxd s ILE 115 N -2.96 3.51 -0.17 0.56 1.01 0.34 -4.90 121.20 118.58 1xxd s ILE 115 Ca 0.63 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1xxd s ILE 115 Cb -0.17 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1xxd s ILE 115 CO 0.56 0.14 -0.02 -0.69 0.00 0.00 0.00 174.94 174.94 1xxd s VAL 116 N 1.43 3.97 -0.06 2.92 1.01 -1.26 -0.20 120.40 128.22 1xxd s VAL 116 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1xxd s VAL 116 Cb -0.17 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1xxd s VAL 116 CO -0.01 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 1xxd s VAL 117 N 0.59 0.61 -0.22 2.92 1.01 0.78 0.25 120.40 126.33 1xxd s VAL 117 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1xxd s VAL 117 Cb -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1xxd s VAL 117 CO 0.02 0.26 0.16 -0.31 0.00 0.00 0.00 175.10 175.23 1xxd s TYR 118 N 1.12 3.36 0.19 5.22 1.51 0.30 0.00 117.35 129.04 1xxd s TYR 118 Ca -0.08 0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1xxd s TYR 118 Cb -0.14 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1xxd s TYR 118 CO -0.01 0.15 0.08 0.95 -1.11 0.00 0.00 175.55 175.61 1xxd s THR 119 N 0.80 0.27 0.60 -0.71 -4.23 -0.92 0.66 115.64 112.11 1xxd s THR 119 Ca 0.09 -1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 58.44 1xxd s THR 119 Cb -0.13 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 1xxd s THR 119 CO 0.02 -0.23 1.24 -2.84 -0.54 0.00 0.00 174.62 172.27 1xxd s PRO 120 N -4.06 2.91 0.36 3.99 0.02 -1.26 -0.89 135.00 136.08 1xxd s PRO 120 Ca 0.32 1.91 0.15 0.00 0.02 0.00 0.00 61.00 63.39 1xxd s PRO 120 Cb 0.07 -1.94 1.03 0.00 0.02 0.00 0.00 34.50 33.68 1xxd s PRO 120 CO 0.08 -1.27 1.74 -0.44 -0.33 0.00 0.00 177.00 176.77 1xxd h ASP 121 N 0.88 0.54 -0.28 2.53 3.32 -1.38 -0.99 116.42 121.04 1xxd h ASP 121 Ca -0.51 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1xxd h ASP 121 Cb 1.31 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1xxd h ASP 121 CO 0.55 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 177.67 1xxd n ASN 122 N -4.77 3.12 -4.27 6.45 6.94 -1.26 -4.84 115.26 116.64 1xxd n ASN 122 Ca 0.27 -2.40 -0.32 0.00 -0.02 0.00 0.00 54.58 52.11 1xxd n ASN 122 Cb 0.86 -0.55 -0.16 0.00 -2.36 0.00 0.00 39.78 37.56 1xxd n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xxd s VAL 123 N -1.81 2.24 0.31 3.53 1.01 -0.38 -4.81 120.40 120.50 1xxd s VAL 123 Ca 0.26 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1xxd s VAL 123 Cb 0.19 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1xxd s VAL 123 CO 0.08 0.56 0.46 -1.81 0.00 0.00 0.00 175.10 174.39 1xxd s ASP 124 N 0.15 6.15 -0.19 3.32 1.01 0.33 -4.78 116.67 122.66 1xxd s ASP 124 Ca -0.12 0.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.19 1xxd s ASP 124 Cb -0.16 -1.65 0.06 0.00 1.01 0.00 0.00 42.92 42.17 1xxd s ASP 124 CO 0.07 -0.29 0.04 -0.69 0.21 0.00 0.00 175.17 174.50 1xxd s VAL 125 N -2.16 0.49 0.44 -1.27 1.01 -1.26 -1.68 120.40 115.96 1xxd s VAL 125 Ca 0.40 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1xxd s VAL 125 Cb -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1xxd s VAL 125 CO 0.32 -0.21 0.17 -0.54 0.00 0.00 0.00 175.10 174.84 1xxd s LYS 126 N 1.87 2.20 0.21 2.72 1.02 0.74 -4.96 119.74 123.54 1xxd s LYS 126 Ca -0.01 -1.94 -0.18 0.00 0.02 0.00 0.00 55.97 53.87 1xxd s LYS 126 Cb -0.17 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1xxd s LYS 126 CO -0.08 -0.18 0.54 1.52 -0.92 0.00 0.00 175.35 176.23 1xxd s TYR 127 N -2.65 -0.09 -0.00 3.18 1.13 -1.26 0.10 117.35 117.75 1xxd s TYR 127 Ca 0.36 -0.26 -0.04 0.00 -1.41 0.00 0.00 57.07 55.73 1xxd s TYR 127 Cb 0.04 0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1xxd s TYR 127 CO 0.20 -0.95 0.07 0.50 -2.51 0.00 0.00 175.55 172.86 1xxd s ARG 128 N -3.89 0.31 -0.02 -3.49 3.52 -0.91 -4.93 118.95 109.54 1xxd s ARG 128 Ca 0.10 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.26 1xxd s ARG 128 Cb -0.01 0.13 -0.06 0.00 -1.56 0.00 0.00 34.95 33.45 1xxd s ARG 128 CO -0.01 -0.06 0.41 0.08 -0.81 0.00 0.00 175.30 174.91 1xxd s VAL 129 N -0.94 5.05 -0.05 7.11 1.01 -1.26 -1.71 120.40 129.60 1xxd s VAL 129 Ca -0.10 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1xxd s VAL 129 Cb -0.06 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1xxd s VAL 129 CO 0.00 0.55 -0.19 0.26 0.00 0.00 0.00 175.10 175.72 1xxd s TRP 130 N -0.85 2.58 -0.02 5.22 0.52 0.50 -4.97 118.94 121.92 1xxd s TRP 130 Ca 0.24 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.04 1xxd s TRP 130 Cb -0.16 -1.62 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1xxd s TRP 130 CO 0.13 0.01 -0.24 0.21 0.02 0.00 0.00 176.95 177.08 1xxd s LYS 131 N -0.46 2.16 0.09 4.98 2.20 -1.26 -1.19 119.74 126.26 1xxd s LYS 131 Ca 0.05 -0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 54.52 1xxd s LYS 131 Cb -0.12 -2.10 -0.07 0.00 -1.51 0.00 0.00 37.83 34.03 1xxd s LYS 131 CO 0.01 0.57 0.74 0.00 -0.36 0.00 0.00 175.35 176.31 1xxd s ALA 132 N -0.66 3.43 0.44 3.13 0.00 -0.66 -5.04 121.76 122.40 1xxd s ALA 132 Ca 0.11 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 1xxd s ALA 132 Cb -0.10 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1xxd s ALA 132 CO -0.00 0.20 0.75 -1.21 0.00 0.00 0.00 175.76 175.49 1xxd s GLU 133 N -0.61 3.60 0.00 0.00 2.02 -1.26 -5.03 118.70 117.41 1xxd s GLU 133 Ca 0.36 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1xxd s GLU 133 Cb -0.21 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1xxd s GLU 133 CO 0.24 -0.11 0.66 0.39 0.02 0.00 0.00 175.26 176.46 1xxd n GLU 134 N -1.91 0.00 -0.45 1.61 1.02 -1.26 -4.84 120.64 114.80 1xxd n GLU 134 Ca 0.00 0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 57.17 1xxd n GLU 134 Cb 0.55 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.79 1xxd n GLU 134 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xxd n LYS 135 N -1.02 0.00 -3.50 3.49 3.00 -1.26 -4.95 118.16 113.92 1xxd n LYS 135 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1xxd n LYS 135 Cb 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 35.03 34.54 1xxd n LYS 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1xxd s ILE 136 N -0.24 0.05 0.79 3.15 1.01 -1.26 -5.14 121.20 119.56 1xxd s ILE 136 Ca 0.22 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1xxd s ILE 136 Cb -0.32 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.17 1xxd s ILE 136 CO 0.18 -0.88 1.15 -1.81 0.00 0.00 0.00 174.94 173.59 1xxd s ASP 137 N 1.52 4.53 0.08 3.58 1.01 -1.26 -5.09 116.67 121.04 1xxd s ASP 137 Ca 0.14 0.72 0.07 0.00 0.71 0.00 0.00 52.55 54.19 1xxd s ASP 137 Cb -0.20 -1.23 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1xxd s ASP 137 CO -0.16 -1.87 -0.12 0.20 0.21 0.00 0.00 175.17 173.43 1xxd s ASN 138 N -4.57 4.24 0.24 0.27 0.01 -1.26 -5.11 114.94 108.76 1xxd s ASN 138 Ca 0.62 -0.38 -0.30 0.00 -0.71 0.00 0.00 52.86 52.09 1xxd s ASN 138 Cb -0.11 -0.79 -0.09 0.00 0.41 0.00 0.00 41.25 40.68 1xxd s ASN 138 CO 0.48 0.21 1.00 0.00 -1.51 0.00 0.00 177.10 177.29 1xxd s ALA 139 N -1.12 3.36 0.39 0.60 0.00 -1.26 -5.04 121.76 118.70 1xxd s ALA 139 Ca 0.19 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 1xxd s ALA 139 Cb -0.11 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1xxd s ALA 139 CO 0.11 0.05 0.72 0.08 0.00 0.00 0.00 175.76 176.72 1xxd s VAL 140 N -1.08 4.87 -0.35 0.00 1.01 -1.26 -5.05 120.40 118.55 1xxd s VAL 140 Ca 0.43 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 1xxd s VAL 140 Cb -0.28 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1xxd s VAL 140 CO 0.35 -0.53 0.32 -0.69 0.00 0.00 0.00 175.10 174.55 1xxd s VAL 141 N -2.37 5.21 0.00 2.92 1.01 -1.26 -5.36 120.40 120.55 1xxd s VAL 141 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1xxd s VAL 141 Cb -0.10 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1xxd s VAL 141 CO 0.33 -0.09 0.00 -2.11 0.00 0.00 0.00 175.10 173.23