#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgq s PRO 1 N 0.00 3.22 0.19 0.03 0.02 -1.26 -4.91 135.00 132.30 3dgq s PRO 1 Ca 0.00 1.94 0.26 0.00 0.02 0.00 0.00 61.00 63.22 3dgq s PRO 1 Cb 0.00 -2.15 0.73 0.00 0.02 0.00 0.00 34.50 33.10 3dgq s PRO 1 CO 0.00 -1.04 1.70 -0.35 -0.33 0.00 0.00 177.00 176.98 3dgq n PRO 2 N -1.13 0.27 -4.31 5.54 -0.04 -1.26 -4.79 135.00 129.27 3dgq n PRO 2 Ca 0.11 0.19 -0.35 0.00 -0.04 0.00 0.00 63.50 63.41 3dgq n PRO 2 Cb 0.48 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 3dgq n PRO 2 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dgq s TYR 3 N -3.11 3.21 -0.05 0.54 2.02 -1.26 -0.97 117.35 117.73 3dgq s TYR 3 Ca 0.10 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 3dgq s TYR 3 Cb 0.13 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3dgq s TYR 3 CO 0.62 0.47 -0.09 0.99 -1.57 0.00 0.00 175.55 175.97 3dgq s THR 4 N -0.81 0.85 -0.20 -0.71 2.01 -0.43 -0.73 115.64 115.62 3dgq s THR 4 Ca 0.12 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 3dgq s THR 4 Cb -0.12 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3dgq s THR 4 CO 0.02 0.29 0.03 -0.69 -0.69 0.00 0.00 174.62 173.58 3dgq s VAL 5 N 0.66 4.23 -0.27 3.82 1.01 0.55 -0.94 120.40 129.46 3dgq s VAL 5 Ca -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3dgq s VAL 5 Cb -0.14 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3dgq s VAL 5 CO 0.02 0.42 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 3dgq s VAL 6 N 0.96 3.31 0.21 2.92 1.01 0.30 -0.22 120.40 128.88 3dgq s VAL 6 Ca 0.02 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 3dgq s VAL 6 Cb -0.14 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3dgq s VAL 6 CO 0.02 0.12 0.79 -0.47 0.00 0.00 0.00 175.10 175.56 3dgq s TYR 7 N 1.39 -0.22 0.92 5.22 5.04 -0.80 -2.06 117.35 126.84 3dgq s TYR 7 Ca 0.01 -0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.38 3dgq s TYR 7 Cb -0.17 0.66 0.15 0.00 0.35 0.00 0.00 41.96 42.95 3dgq s TYR 7 CO -0.01 -1.03 1.10 -0.06 -1.34 0.00 0.00 175.55 174.20 3dgq s PHE 8 N -3.66 2.01 -1.28 4.97 0.08 -1.26 -1.00 117.98 117.84 3dgq s PHE 8 Ca 0.10 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 3dgq s PHE 8 Cb -0.04 -3.18 -0.06 0.00 -0.57 0.00 0.00 43.02 39.18 3dgq s PHE 8 CO 0.02 -2.65 2.39 -0.35 -0.10 0.00 0.00 175.22 174.53 3dgq n PRO 9 N -4.09 2.73 -3.85 0.24 -0.04 -1.26 -4.80 135.00 123.93 3dgq n PRO 9 Ca 0.08 -2.10 -0.11 0.00 -0.04 0.00 0.00 63.50 61.34 3dgq n PRO 9 Cb 0.54 -2.89 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 3dgq n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dgq s VAL 10 N 3.23 0.10 -0.02 0.52 1.01 -1.26 -4.32 120.40 119.66 3dgq s VAL 10 Ca 0.54 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3dgq s VAL 10 Cb 0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3dgq s VAL 10 CO -0.03 -0.47 0.38 0.03 0.00 0.00 0.00 175.10 175.01 3dgq h ARG 11 N 3.59 -0.17 0.00 2.72 3.08 -1.01 -3.46 114.38 119.14 3dgq h ARG 11 Ca -0.32 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3dgq h ARG 11 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3dgq h ARG 11 CO 0.47 -0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.67 3dgq n GLY 12 N 0.93 2.66 0.00 0.04 0.00 0.28 -1.35 105.19 107.75 3dgq n GLY 12 Ca -0.02 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3dgq n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dgq n ARG 13 N 14.00 0.85 0.00 1.61 1.74 -1.26 -2.70 116.66 130.90 3dgq n ARG 13 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3dgq n ARG 13 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 3dgq n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dgq h ALA 15 N 3.03 0.33 -0.30 0.00 0.00 -1.13 -1.09 119.26 120.11 3dgq h ALA 15 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dgq h ALA 15 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dgq h ALA 15 CO 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.02 3dgq h ALA 16 N 1.14 0.40 -0.12 0.00 0.00 -1.82 -0.43 119.26 118.43 3dgq h ALA 16 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3dgq h ALA 16 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dgq h ALA 16 CO -0.07 0.13 -0.27 1.37 0.00 0.00 0.00 179.25 180.41 3dgq h LEU 17 N 0.32 0.22 -0.26 0.00 8.10 -1.80 0.61 115.31 122.51 3dgq h LEU 17 Ca 0.09 -0.07 -0.07 0.00 0.11 0.00 0.00 57.88 57.94 3dgq h LEU 17 Cb 0.40 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 3dgq h LEU 17 CO 0.01 0.50 -0.10 0.03 -4.11 0.00 0.00 178.44 174.77 3dgq h ARG 18 N 0.20 0.54 -0.81 0.17 3.08 -0.97 -0.04 114.38 116.56 3dgq h ARG 18 Ca 0.03 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 59.96 3dgq h ARG 18 Cb 0.59 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 3dgq h ARG 18 CO 0.04 0.77 0.45 0.52 -1.07 0.00 0.00 179.97 180.68 3dgq h MET 19 N 0.28 0.71 0.19 0.04 2.86 -0.69 0.84 114.93 119.16 3dgq h MET 19 Ca 0.06 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dgq h MET 19 Cb 0.60 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dgq h MET 19 CO 0.03 0.47 -0.09 1.25 1.06 0.00 0.00 176.91 179.64 3dgq h LEU 20 N 0.73 -0.21 -0.26 1.22 6.46 -0.62 0.13 115.31 122.75 3dgq h LEU 20 Ca 0.40 -0.10 0.05 0.00 -0.12 0.00 0.00 57.88 58.11 3dgq h LEU 20 Cb 0.40 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 3dgq h LEU 20 CO -0.27 -0.04 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.43 3dgq h LEU 21 N -0.38 -0.13 -0.20 2.25 3.38 -0.65 -0.84 115.31 118.74 3dgq h LEU 21 Ca -0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dgq h LEU 21 Cb 0.30 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dgq h LEU 21 CO 0.04 -0.03 0.09 0.00 0.09 0.00 0.00 178.44 178.63 3dgq h ALA 22 N 1.23 0.26 0.00 1.53 0.00 -0.69 -1.22 119.26 120.37 3dgq h ALA 22 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dgq h ALA 22 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dgq h ALA 22 CO -0.22 -0.18 -0.15 0.22 0.00 0.00 0.00 179.25 178.92 3dgq h ASP 23 N 0.19 0.00 0.00 0.00 3.58 -0.56 -1.73 116.42 117.90 3dgq h ASP 23 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3dgq h ASP 23 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3dgq h ASP 23 CO -0.01 0.15 -0.03 0.00 -2.88 0.00 0.00 179.24 176.48 3dgq n GLN 24 N -3.75 1.71 -1.31 0.28 1.13 -0.34 -4.81 117.38 110.30 3dgq n GLN 24 Ca -0.02 -1.10 -0.10 0.00 -1.94 0.00 0.00 57.00 53.84 3dgq n GLN 24 Cb 0.26 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 3dgq n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dgq n GLY 25 N 1.22 1.16 3.81 1.08 0.00 -0.65 -5.01 105.19 106.80 3dgq n GLY 25 Ca 0.17 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3dgq n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dgq s GLN 26 N -2.89 4.28 0.17 1.61 -1.52 -0.54 -5.03 119.66 115.74 3dgq s GLN 26 Ca 0.00 0.91 -0.06 0.00 -1.95 0.00 0.00 55.36 54.25 3dgq s GLN 26 Cb 0.00 -2.87 -0.06 0.00 -0.22 0.00 0.00 33.01 29.86 3dgq s GLN 26 CO 0.00 0.38 0.43 -1.54 -0.25 0.00 0.00 175.29 174.32 3dgq s SER 27 N -1.65 6.54 0.16 5.90 1.04 -1.26 -4.46 113.70 119.96 3dgq s SER 27 Ca 0.44 0.70 -0.17 0.00 0.48 0.00 0.00 55.95 57.39 3dgq s SER 27 Cb -0.17 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 63.85 3dgq s SER 27 CO 0.21 0.01 0.48 -1.66 0.98 0.00 0.00 173.24 173.26 3dgq s TRP 28 N -1.71 -0.20 -0.13 5.02 -2.14 -1.26 -4.23 118.94 114.30 3dgq s TRP 28 Ca 0.43 -0.11 -0.06 0.00 2.66 0.00 0.00 56.10 59.01 3dgq s TRP 28 Cb -0.12 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 3dgq s TRP 28 CO 0.23 -0.82 0.11 0.21 -2.66 0.00 0.00 176.95 174.02 3dgq s LYS 29 N -3.83 3.48 -0.26 3.25 2.20 0.09 -4.98 119.74 119.68 3dgq s LYS 29 Ca 0.06 -0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 3dgq s LYS 29 Cb 0.00 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 3dgq s LYS 29 CO -0.08 0.67 0.15 -1.21 -0.36 0.00 0.00 175.35 174.52 3dgq s GLU 30 N -0.74 3.88 -0.25 4.03 0.41 -1.26 -0.33 118.70 124.44 3dgq s GLU 30 Ca 0.13 -0.36 -0.08 0.00 -0.41 0.00 0.00 54.97 54.26 3dgq s GLU 30 Cb -0.12 -3.54 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 3dgq s GLU 30 CO 0.03 -0.14 0.08 -1.21 -0.49 0.00 0.00 175.26 173.52 3dgq s GLU 31 N 1.61 3.66 -0.16 1.61 2.02 0.69 -4.97 118.70 123.15 3dgq s GLU 31 Ca 0.07 -0.48 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 3dgq s GLU 31 Cb -0.15 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 3dgq s GLU 31 CO 0.08 -0.20 0.23 0.08 0.02 0.00 0.00 175.26 175.47 3dgq s VAL 32 N 1.62 5.35 -0.23 2.63 1.01 -1.26 -1.90 120.40 127.63 3dgq s VAL 32 Ca 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 3dgq s VAL 32 Cb -0.15 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 3dgq s VAL 32 CO 0.04 0.44 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3dgq s VAL 33 N 0.23 3.33 0.67 2.92 1.01 -0.17 -4.94 120.40 123.45 3dgq s VAL 33 Ca 0.14 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3dgq s VAL 33 Cb -0.12 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3dgq s VAL 33 CO 0.02 0.39 1.05 0.42 0.00 0.00 0.00 175.10 176.99 3dgq s THR 34 N 1.46 4.20 0.26 3.92 -4.23 -1.26 -4.11 115.64 115.88 3dgq s THR 34 Ca 0.05 0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 3dgq s THR 34 Cb -0.15 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.36 3dgq s THR 34 CO -0.03 -0.93 1.85 0.58 -0.54 0.00 0.00 174.62 175.54 3dgq h VAL 35 N -0.57 1.00 -0.43 2.29 2.07 -1.99 -1.17 116.25 117.45 3dgq h VAL 35 Ca -0.44 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dgq h VAL 35 Cb 1.21 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3dgq h VAL 35 CO 0.60 0.18 0.26 -0.33 0.02 0.00 0.00 177.57 178.30 3dgq h GLU 36 N 0.99 0.58 -0.44 1.57 3.07 -1.98 0.48 114.58 118.84 3dgq h GLU 36 Ca 0.42 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 3dgq h GLU 36 Cb 0.29 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3dgq h GLU 36 CO -0.21 0.42 0.14 1.15 -1.40 0.00 0.00 179.01 179.11 3dgq h THR 37 N 0.57 1.22 -0.69 1.13 2.02 -1.88 -2.16 112.91 113.13 3dgq h THR 37 Ca 0.15 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3dgq h THR 37 Cb -0.02 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3dgq h THR 37 CO -0.03 0.26 0.42 -0.25 0.37 0.00 0.00 175.52 176.29 3dgq h TRP 38 N 0.58 0.90 0.00 3.16 2.91 -0.97 -2.60 115.95 119.93 3dgq h TRP 38 Ca 0.14 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.13 3dgq h TRP 38 Cb 0.26 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3dgq h TRP 38 CO 0.01 0.61 -0.17 1.96 -1.03 0.00 0.00 178.44 179.82 3dgq h GLN 39 N 0.93 0.00 -0.16 2.65 4.20 -0.66 -2.43 115.11 119.64 3dgq h GLN 39 Ca 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3dgq h GLN 39 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3dgq h GLN 39 CO -0.05 0.17 -0.16 1.49 -0.67 0.00 0.00 178.83 179.61 3dgq h GLU 40 N 0.00 0.26 0.00 1.46 4.22 -0.99 -3.47 114.58 116.07 3dgq h GLU 40 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3dgq h GLU 40 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dgq h GLU 40 CO 0.02 0.43 0.00 0.41 -2.18 0.00 0.00 179.01 177.69 3dgq n GLY 41 N -0.76 2.80 0.18 1.92 0.00 -0.92 -4.94 105.19 103.46 3dgq n GLY 41 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3dgq n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dgq h SER 42 N 0.00 0.63 -0.37 1.61 4.64 -1.84 -0.77 113.55 117.45 3dgq h SER 42 Ca 0.00 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 3dgq h SER 42 Cb 0.00 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3dgq h SER 42 CO 0.00 1.05 0.20 0.25 -0.87 0.00 0.00 176.83 177.46 3dgq h LEU 43 N 0.23 0.46 -0.40 5.97 5.85 -1.90 -1.98 115.31 123.54 3dgq h LEU 43 Ca 0.01 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3dgq h LEU 43 Cb 0.93 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3dgq h LEU 43 CO 0.08 0.42 0.06 0.50 -0.34 0.00 0.00 178.44 179.15 3dgq h LYS 44 N 0.47 0.17 -0.38 1.25 3.64 -1.82 -1.26 116.57 118.64 3dgq h LYS 44 Ca 0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3dgq h LYS 44 Cb 0.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3dgq h LYS 44 CO -0.02 0.11 0.25 0.00 -2.27 0.00 0.00 179.45 177.53 3dgq h ALA 45 N 1.32 1.75 0.00 5.00 0.00 -0.81 -1.54 119.26 124.98 3dgq h ALA 45 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dgq h ALA 45 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dgq h ALA 45 CO -0.28 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 3dgq n SER 46 N -4.48 0.36 -4.74 0.00 3.41 -0.53 -4.81 113.62 102.83 3dgq n SER 46 Ca 0.03 0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 58.78 3dgq n SER 46 Cb 0.07 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 3dgq n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dgq h LEU 48 N 4.50 -0.89 -3.34 0.00 5.85 -1.87 -1.36 115.31 118.20 3dgq h LEU 48 Ca -0.44 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3dgq h LEU 48 Cb 1.20 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 3dgq h LEU 48 CO 0.69 -0.27 0.02 -1.22 -0.34 0.00 0.00 178.44 177.32 3dgq n TYR 49 N -5.42 1.20 -1.38 1.25 4.01 -1.26 -4.97 117.16 110.59 3dgq n TYR 49 Ca 0.04 -0.98 -0.13 0.00 -0.16 0.00 0.00 57.90 56.67 3dgq n TYR 49 Cb 0.33 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 3dgq n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dgq n GLY 50 N -0.45 1.39 3.08 2.72 0.00 -0.51 -4.99 105.19 106.41 3dgq n GLY 50 Ca 0.25 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3dgq n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dgq s GLN 51 N -3.11 0.57 0.24 1.61 -1.52 -1.26 -4.92 119.66 111.26 3dgq s GLN 51 Ca 0.00 -0.90 0.02 0.00 -1.95 0.00 0.00 55.36 52.54 3dgq s GLN 51 Cb 0.00 -0.17 -0.03 0.00 -0.22 0.00 0.00 33.01 32.58 3dgq s GLN 51 CO 0.00 0.01 0.40 -0.51 -0.25 0.00 0.00 175.29 174.94 3dgq s LEU 52 N -1.99 4.24 0.57 2.90 1.43 -1.26 -4.60 118.68 119.96 3dgq s LEU 52 Ca -0.05 0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3dgq s LEU 52 Cb -0.05 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3dgq s LEU 52 CO -0.02 -0.10 1.11 -2.16 0.23 0.00 0.00 176.35 175.42 3dgq s PRO 53 N -3.81 3.25 -0.06 1.29 0.04 -1.26 -4.97 135.00 129.48 3dgq s PRO 53 Ca 0.36 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3dgq s PRO 53 Cb -0.10 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3dgq s PRO 53 CO 0.30 -0.91 -0.13 0.21 0.04 0.00 0.00 177.00 176.52 3dgq s LYS 54 N -3.55 2.61 -0.04 4.56 2.20 -0.87 -3.86 119.74 120.79 3dgq s LYS 54 Ca 0.70 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 3dgq s LYS 54 Cb -0.22 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 3dgq s LYS 54 CO 0.31 0.61 -0.07 0.12 -0.36 0.00 0.00 175.35 175.95 3dgq s PHE 55 N -0.68 0.90 -0.09 4.03 5.36 0.37 -0.54 117.98 127.34 3dgq s PHE 55 Ca 0.10 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3dgq s PHE 55 Cb -0.11 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.86 3dgq s PHE 55 CO 0.01 -0.16 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.78 3dgq s GLN 56 N 0.54 2.91 -0.37 10.12 -0.21 -0.11 -0.40 119.66 132.15 3dgq s GLN 56 Ca -0.08 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3dgq s GLN 56 Cb -0.12 -2.40 0.11 0.00 1.00 0.00 0.00 33.01 31.60 3dgq s GLN 56 CO 0.01 0.35 0.12 0.34 -2.12 0.00 0.00 175.29 173.99 3dgq s ASP 57 N -0.04 4.32 1.62 5.90 -1.08 0.06 -1.31 116.67 126.13 3dgq s ASP 57 Ca -0.05 -2.19 0.00 0.00 -0.52 0.00 0.00 52.55 49.79 3dgq s ASP 57 Cb -0.14 -1.31 0.00 0.00 -1.46 0.00 0.00 42.92 40.01 3dgq s ASP 57 CO 0.04 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 175.99 3dgq n GLY 58 N 4.16 3.37 0.71 2.66 0.00 -0.14 -1.39 105.19 114.57 3dgq n GLY 58 Ca 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3dgq n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dgq n ASP 59 N 3.75 2.06 -4.65 1.61 5.75 -1.26 -4.80 116.55 119.01 3dgq n ASP 59 Ca 0.00 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 3dgq n ASP 59 Cb 0.00 -0.24 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 3dgq n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3dgq s LEU 60 N -1.06 4.12 -0.20 -2.12 2.96 -0.48 -5.04 118.68 116.85 3dgq s LEU 60 Ca 0.27 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3dgq s LEU 60 Cb 0.14 -3.16 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 3dgq s LEU 60 CO 0.19 -0.44 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.80 3dgq s THR 61 N 2.49 3.06 0.17 3.68 2.01 -1.26 -0.76 115.64 125.03 3dgq s THR 61 Ca 0.35 -0.61 0.11 0.00 0.31 0.00 0.00 61.69 61.86 3dgq s THR 61 Cb -0.16 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3dgq s THR 61 CO 0.09 0.46 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.47 3dgq s LEU 62 N 1.30 2.40 0.19 4.42 1.43 0.47 -4.97 118.68 123.91 3dgq s LEU 62 Ca 0.04 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 3dgq s LEU 62 Cb -0.14 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 3dgq s LEU 62 CO -0.04 0.14 -0.08 -0.31 0.23 0.00 0.00 176.35 176.29 3dgq s TYR 63 N -1.48 1.47 0.00 0.29 2.02 -1.26 -0.48 117.35 117.91 3dgq s TYR 63 Ca 0.19 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3dgq s TYR 63 Cb -0.09 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3dgq s TYR 63 CO 0.09 0.11 0.00 1.04 -1.57 0.00 0.00 175.55 175.21 3dgq n GLN 64 N -0.32 0.00 -0.32 -0.62 1.13 -1.25 -4.63 117.38 111.37 3dgq n GLN 64 Ca -0.08 0.30 0.01 0.00 -1.94 0.00 0.00 57.00 55.29 3dgq n GLN 64 Cb 0.62 -0.13 0.15 0.00 0.11 0.00 0.00 30.24 30.99 3dgq n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3dgq h SER 65 N 0.00 0.87 0.90 1.08 4.64 -1.88 -0.09 113.55 119.07 3dgq h SER 65 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3dgq h SER 65 Cb 0.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3dgq h SER 65 CO 0.00 0.56 -0.23 0.78 -0.87 0.00 0.00 176.83 177.07 3dgq h ASN 66 N 1.01 0.00 -0.21 4.97 4.21 -1.92 -0.30 115.58 123.34 3dgq h ASN 66 Ca 0.39 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.87 3dgq h ASN 66 Cb 0.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 3dgq h ASN 66 CO -0.18 0.23 0.03 0.74 -1.29 0.00 0.00 177.43 176.96 3dgq h THR 67 N 0.00 1.23 -0.50 2.81 2.02 -1.32 -0.82 112.91 116.34 3dgq h THR 67 Ca -0.00 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3dgq h THR 67 Cb 0.74 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3dgq h THR 67 CO 0.03 0.24 0.29 0.40 0.37 0.00 0.00 175.52 176.85 3dgq h ILE 68 N 0.15 1.16 -0.51 3.11 2.04 -0.87 0.17 117.51 122.76 3dgq h ILE 68 Ca 0.06 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3dgq h ILE 68 Cb 0.33 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3dgq h ILE 68 CO 0.01 0.17 0.32 -0.07 0.00 0.00 0.00 178.15 178.57 3dgq h LEU 69 N 0.66 0.60 -0.73 1.44 3.38 -1.00 -0.78 115.31 118.88 3dgq h LEU 69 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dgq h LEU 69 Cb 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3dgq h LEU 69 CO -0.03 0.46 0.40 0.03 0.09 0.00 0.00 178.44 179.39 3dgq h ARG 70 N 0.68 1.02 0.07 1.13 3.08 -0.90 0.20 114.38 119.66 3dgq h ARG 70 Ca 0.18 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3dgq h ARG 70 Cb -0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3dgq h ARG 70 CO -0.04 0.76 -0.03 1.25 -1.07 0.00 0.00 179.97 180.84 3dgq h HIS 71 N 1.01 -0.09 -0.66 3.04 2.76 -0.61 0.61 115.15 121.21 3dgq h HIS 71 Ca 0.26 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3dgq h HIS 71 Cb 0.04 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3dgq h HIS 71 CO -0.00 0.05 0.35 -0.07 -1.30 0.00 0.00 177.93 176.96 3dgq h LEU 72 N -0.22 0.81 -0.40 0.26 3.38 -1.03 -0.79 115.31 117.31 3dgq h LEU 72 Ca -0.01 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3dgq h LEU 72 Cb 0.18 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3dgq h LEU 72 CO 0.02 0.66 -0.05 1.23 0.09 0.00 0.00 178.44 180.38 3dgq h GLY 73 N 0.97 0.35 0.85 0.83 0.00 -0.12 0.85 103.07 106.80 3dgq h GLY 73 Ca 0.23 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3dgq h GLY 73 CO -0.04 -0.13 -0.15 3.21 0.00 0.00 0.00 176.54 179.43 3dgq h ARG 74 N 0.05 -0.41 0.00 4.80 3.08 -0.23 0.18 114.38 121.86 3dgq h ARG 74 Ca 0.20 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 3dgq h ARG 74 Cb 0.29 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3dgq h ARG 74 CO -0.37 -0.17 -0.15 1.79 -1.07 0.00 0.00 179.97 180.00 3dgq h THR 75 N -0.58 0.33 -0.22 2.04 1.35 -1.01 -3.09 112.91 111.72 3dgq h THR 75 Ca -0.04 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3dgq h THR 75 Cb 0.43 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3dgq h THR 75 CO 0.07 0.14 0.00 0.18 -0.25 0.00 0.00 175.52 175.66 3dgq n LEU 76 N -3.24 2.75 -2.31 3.87 4.77 0.28 -5.00 117.00 118.12 3dgq n LEU 76 Ca 0.01 -1.42 -0.13 0.00 -0.03 0.00 0.00 56.01 54.44 3dgq n LEU 76 Cb 0.44 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3dgq n LEU 76 CO 0.32 0.59 0.13 0.61 -1.33 0.00 0.00 177.39 177.71 3dgq n GLY 77 N 0.92 0.07 2.38 -0.72 0.00 -0.95 -4.96 105.19 101.93 3dgq n GLY 77 Ca 0.12 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3dgq n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dgq n LEU 78 N -3.05 4.53 -2.51 0.99 4.77 0.60 -4.74 117.00 117.59 3dgq n LEU 78 Ca -0.03 -4.98 0.01 0.00 -0.03 0.00 0.00 56.01 50.98 3dgq n LEU 78 Cb 0.55 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3dgq n LEU 78 CO 0.37 2.15 0.06 0.00 -1.33 0.00 0.00 177.39 178.64 3dgq n TYR 79 N -0.52 0.74 0.00 -1.77 4.19 -1.24 -0.99 117.16 117.57 3dgq n TYR 79 Ca 0.38 -1.73 0.00 0.00 3.31 0.00 0.00 57.90 59.86 3dgq n TYR 79 Cb 0.75 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.50 3dgq n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3dgq n GLY 80 N -0.42 -1.55 0.08 2.98 0.00 -1.26 -3.96 105.19 101.06 3dgq n GLY 80 Ca 0.04 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.62 3dgq n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dgq h LYS 81 N 0.00 0.00 0.00 1.61 2.10 -1.96 -3.46 116.57 114.87 3dgq h LYS 81 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3dgq h LYS 81 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3dgq h LYS 81 CO 0.00 0.00 0.07 -0.40 -2.00 0.00 0.00 179.45 177.12 3dgq n ASP 82 N -2.25 -0.67 -0.11 7.07 5.68 -1.26 -5.04 116.55 119.97 3dgq n ASP 82 Ca 0.03 -1.49 -0.13 0.00 -0.50 0.00 0.00 54.79 52.71 3dgq n ASP 82 Cb 0.45 1.13 -0.03 0.00 -1.14 0.00 0.00 41.12 41.53 3dgq n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3dgq h GLN 83 N 0.00 0.77 -0.27 0.11 4.20 -1.93 -1.60 115.11 116.39 3dgq h GLN 83 Ca -0.10 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.25 3dgq h GLN 83 Cb 0.37 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3dgq h GLN 83 CO 0.13 1.02 0.10 0.37 -0.67 0.00 0.00 178.83 179.77 3dgq h GLN 84 N 0.54 0.21 -0.67 1.46 4.15 -1.99 -2.04 115.11 116.78 3dgq h GLN 84 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3dgq h GLN 84 Cb 0.85 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 3dgq h GLN 84 CO 0.07 0.14 0.37 0.93 -1.93 0.00 0.00 178.83 178.41 3dgq h GLU 85 N 0.22 0.93 -0.79 1.69 5.08 -1.87 -2.03 114.58 117.82 3dgq h GLU 85 Ca 0.12 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3dgq h GLU 85 Cb 0.08 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dgq h GLU 85 CO -0.12 0.68 0.52 0.00 -1.00 0.00 0.00 179.01 179.09 3dgq h ALA 86 N 1.47 1.01 -0.53 3.43 0.00 -0.87 0.18 119.26 123.95 3dgq h ALA 86 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dgq h ALA 86 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3dgq h ALA 86 CO -0.04 0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.83 3dgq h ALA 87 N 1.30 0.68 -0.81 0.00 0.00 -0.80 -0.88 119.26 118.74 3dgq h ALA 87 Ca 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dgq h ALA 87 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3dgq h ALA 87 CO -0.07 0.28 0.37 -0.07 0.00 0.00 0.00 179.25 179.76 3dgq h LEU 88 N 0.71 1.08 -0.30 0.00 3.38 -0.69 0.63 115.31 120.12 3dgq h LEU 88 Ca 0.18 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dgq h LEU 88 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3dgq h LEU 88 CO -0.02 0.92 0.14 0.58 0.09 0.00 0.00 178.44 180.15 3dgq h VAL 89 N 1.17 0.97 -0.59 1.22 2.07 -0.33 -1.03 116.25 119.72 3dgq h VAL 89 Ca 0.28 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3dgq h VAL 89 Cb 0.15 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3dgq h VAL 89 CO -0.03 0.05 0.30 0.44 0.02 0.00 0.00 177.57 178.35 3dgq h ASP 90 N 0.29 0.41 -0.73 0.57 3.32 -0.77 -0.86 116.42 118.66 3dgq h ASP 90 Ca 0.13 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3dgq h ASP 90 Cb 0.06 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3dgq h ASP 90 CO -0.10 0.27 0.36 -0.03 -1.72 0.00 0.00 179.24 178.02 3dgq h MET 91 N 0.56 1.06 -0.12 3.56 4.05 -0.15 0.17 114.93 124.05 3dgq h MET 91 Ca 0.27 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 3dgq h MET 91 Cb 0.21 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3dgq h MET 91 CO -0.20 0.81 -0.02 0.28 0.23 0.00 0.00 176.91 178.02 3dgq h VAL 92 N 1.05 1.27 -0.67 -5.77 2.07 -0.91 -2.50 116.25 110.80 3dgq h VAL 92 Ca 0.26 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3dgq h VAL 92 Cb 0.10 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3dgq h VAL 92 CO -0.03 0.26 0.22 -1.13 0.02 0.00 0.00 177.57 176.90 3dgq h ASN 93 N -0.08 0.95 -0.43 0.57 -1.24 -0.58 0.34 115.58 115.11 3dgq h ASN 93 Ca 0.03 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.82 3dgq h ASN 93 Cb 0.41 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3dgq h ASN 93 CO 0.01 0.88 0.06 0.44 -1.29 0.00 0.00 177.43 177.53 3dgq h ASP 94 N 0.98 0.76 -0.38 1.15 3.32 -1.00 0.15 116.42 121.41 3dgq h ASP 94 Ca 0.22 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3dgq h ASP 94 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3dgq h ASP 94 CO -0.01 0.79 0.10 1.23 -1.72 0.00 0.00 179.24 179.63 3dgq h GLY 95 N 0.97 0.64 0.86 2.75 0.00 -0.83 -0.73 103.07 106.72 3dgq h GLY 95 Ca 0.16 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3dgq h GLY 95 CO 0.01 0.37 0.17 -2.08 0.00 0.00 0.00 176.54 175.01 3dgq h VAL 96 N 0.46 1.00 -0.48 4.60 2.07 -0.47 -2.42 116.25 121.00 3dgq h VAL 96 Ca 0.12 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3dgq h VAL 96 Cb 0.29 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3dgq h VAL 96 CO -0.00 0.07 0.20 -0.08 0.02 0.00 0.00 177.57 177.78 3dgq h GLU 97 N 0.36 0.39 -0.47 1.57 4.57 -0.80 0.19 114.58 120.39 3dgq h GLU 97 Ca 0.14 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 3dgq h GLU 97 Cb 0.04 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3dgq h GLU 97 CO -0.09 0.26 0.23 -0.44 -1.18 0.00 0.00 179.01 177.79 3dgq h ASP 98 N 0.40 0.31 -0.21 1.04 3.32 -0.71 0.81 116.42 121.39 3dgq h ASP 98 Ca 0.22 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 3dgq h ASP 98 Cb 0.19 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3dgq h ASP 98 CO -0.20 0.22 -0.33 0.25 -1.72 0.00 0.00 179.24 177.46 3dgq h LEU 99 N 0.45 0.76 -0.91 1.55 5.85 -1.08 -2.62 115.31 119.31 3dgq h LEU 99 Ca 0.21 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3dgq h LEU 99 Cb 0.14 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3dgq h LEU 99 CO -0.16 1.03 0.56 -0.09 -0.34 0.00 0.00 178.44 179.44 3dgq h ARG 100 N 0.61 0.97 -0.09 1.25 2.43 0.13 0.39 114.38 120.07 3dgq h ARG 100 Ca 0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3dgq h ARG 100 Cb 0.86 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3dgq h ARG 100 CO 0.07 0.64 -0.20 0.00 -1.51 0.00 0.00 179.97 178.97 3dgq h LYS 102 N 0.14 0.32 -0.22 0.00 1.57 -0.97 -2.30 116.57 115.12 3dgq h LYS 102 Ca 0.03 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3dgq h LYS 102 Cb 0.44 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 3dgq h LYS 102 CO 0.03 0.86 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.82 3dgq h TYR 103 N -0.17 -0.06 -0.55 -1.35 3.20 -0.60 -0.54 116.97 116.89 3dgq h TYR 103 Ca -0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3dgq h TYR 103 Cb 0.89 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 3dgq h TYR 103 CO 0.12 -0.06 0.31 0.82 -1.64 0.00 0.00 178.16 177.71 3dgq h ILE 104 N 0.03 1.01 -0.39 1.81 2.04 -0.87 -0.23 117.51 120.91 3dgq h ILE 104 Ca 0.10 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3dgq h ILE 104 Cb 0.14 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3dgq h ILE 104 CO -0.20 0.11 0.24 -1.28 0.00 0.00 0.00 178.15 177.03 3dgq h SER 105 N 0.61 0.41 0.29 1.72 0.87 -1.03 -0.85 113.55 115.57 3dgq h SER 105 Ca 0.23 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3dgq h SER 105 Cb 0.08 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3dgq h SER 105 CO -0.13 0.30 -0.44 0.25 -0.53 0.00 0.00 176.83 176.28 3dgq h LEU 106 N 0.50 -1.26 -0.45 2.23 5.85 -0.60 -0.45 115.31 121.13 3dgq h LEU 106 Ca 0.15 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3dgq h LEU 106 Cb -0.03 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3dgq h LEU 106 CO -0.05 -0.53 -0.06 0.40 -0.34 0.00 0.00 178.44 177.86 3dgq h ILE 107 N -0.77 0.60 0.00 4.05 1.08 -0.89 -0.68 117.51 120.90 3dgq h ILE 107 Ca -0.03 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3dgq h ILE 107 Cb 0.70 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 3dgq h ILE 107 CO -0.13 0.01 -1.39 -1.22 -0.69 0.00 0.00 178.15 174.73 3dgq n TYR 108 N -5.28 0.56 0.00 1.37 4.01 -0.34 -4.46 117.16 113.02 3dgq n TYR 108 Ca 0.04 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 3dgq n TYR 108 Cb 0.24 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 3dgq n TYR 108 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dgq n THR 109 N -2.48 0.00 -2.53 -0.72 -2.24 -0.19 -4.95 114.28 101.18 3dgq n THR 109 Ca -0.01 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 3dgq n THR 109 Cb 0.55 0.65 0.07 0.00 -2.10 0.00 0.00 70.33 69.50 3dgq n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dgq n ASN 110 N -0.87 -0.91 0.21 3.42 5.15 -0.77 -5.02 115.26 116.47 3dgq n ASN 110 Ca 0.00 -2.14 -0.15 0.00 -0.60 0.00 0.00 54.58 51.70 3dgq n ASN 110 Cb 0.00 0.43 -0.08 0.00 -0.53 0.00 0.00 39.78 39.59 3dgq n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3dgq h TYR 111 N 0.95 -0.48 0.27 1.20 3.20 -1.37 0.27 116.97 121.01 3dgq h TYR 111 Ca -0.43 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.43 3dgq h TYR 111 Cb 1.35 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.74 3dgq h TYR 111 CO -0.02 -0.20 -0.43 1.49 -1.64 0.00 0.00 178.16 177.35 3dgq h GLU 112 N -0.69 -0.74 0.00 1.82 4.57 -1.95 -2.52 114.58 115.07 3dgq h GLU 112 Ca -0.05 0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 3dgq h GLU 112 Cb 0.49 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 3dgq h GLU 112 CO 0.09 -0.49 -0.64 0.00 -1.18 0.00 0.00 179.01 176.78 3dgq h ALA 113 N -0.40 0.69 0.00 2.92 0.00 -1.97 -3.36 119.26 117.14 3dgq h ALA 113 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3dgq h ALA 113 Cb 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dgq h ALA 113 CO -0.16 0.81 -1.19 0.41 0.00 0.00 0.00 179.25 179.11 3dgq n GLY 114 N 0.89 -1.10 0.08 0.00 0.00 0.08 -4.65 105.19 100.50 3dgq n GLY 114 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3dgq n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dgq h LYS 115 N 0.00 0.16 -0.19 1.61 3.64 -1.60 -0.38 116.57 119.81 3dgq h LYS 115 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3dgq h LYS 115 Cb 0.70 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3dgq h LYS 115 CO 0.00 0.20 0.00 -0.44 -2.27 0.00 0.00 179.45 176.94 3dgq h ASP 116 N 0.07 -0.07 -0.95 4.20 3.32 -1.85 0.41 116.42 121.55 3dgq h ASP 116 Ca 0.04 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3dgq h ASP 116 Cb 0.09 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 3dgq h ASP 116 CO -0.01 -0.01 0.62 0.44 -1.72 0.00 0.00 179.24 178.56 3dgq h ASP 117 N 0.06 1.00 -0.13 6.45 3.32 -1.82 -1.65 116.42 123.66 3dgq h ASP 117 Ca 0.09 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3dgq h ASP 117 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3dgq h ASP 117 CO -0.15 0.67 0.03 0.22 -1.72 0.00 0.00 179.24 178.29 3dgq h TYR 118 N 1.15 0.21 -0.41 4.55 3.20 -0.30 -1.33 116.97 124.04 3dgq h TYR 118 Ca 0.39 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 3dgq h TYR 118 Cb 0.09 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3dgq h TYR 118 CO -0.00 0.35 0.10 0.28 -1.64 0.00 0.00 178.16 177.25 3dgq h VAL 119 N 0.01 1.19 -0.12 1.81 2.07 -0.65 -0.24 116.25 120.32 3dgq h VAL 119 Ca 0.04 -0.66 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 3dgq h VAL 119 Cb 0.25 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3dgq h VAL 119 CO 0.00 0.24 -0.61 0.50 0.02 0.00 0.00 177.57 177.72 3dgq h LYS 120 N 0.59 0.42 0.00 1.57 3.64 -1.14 -2.84 116.57 118.81 3dgq h LYS 120 Ca 0.14 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3dgq h LYS 120 Cb 0.23 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dgq h LYS 120 CO -0.00 0.91 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 3dgq h ALA 121 N 1.03 1.00 -0.42 5.00 0.00 -0.78 -3.39 119.26 121.69 3dgq h ALA 121 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dgq h ALA 121 Cb 1.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3dgq h ALA 121 CO 0.11 0.00 0.03 1.25 0.00 0.00 0.00 179.25 180.64 3dgq h LEU 122 N 0.00 -0.11 -0.90 0.00 5.85 -0.79 -1.98 115.31 117.39 3dgq h LEU 122 Ca 0.00 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.95 3dgq h LEU 122 Cb 0.77 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 3dgq h LEU 122 CO 0.00 -0.02 0.50 -0.65 -0.34 0.00 0.00 178.44 177.93 3dgq h PRO 123 N 0.14 0.70 0.00 5.25 0.11 -1.76 -0.33 132.00 136.12 3dgq h PRO 123 Ca 0.21 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 3dgq h PRO 123 Cb 0.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3dgq h PRO 123 CO -0.32 0.46 -0.26 0.78 -0.21 0.00 0.00 178.00 178.45 3dgq h GLY 124 N 0.72 0.00 1.75 -0.55 0.00 -1.65 -0.21 103.07 103.13 3dgq h GLY 124 Ca 0.48 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.63 3dgq h GLY 124 CO -0.34 0.00 -0.98 1.46 0.00 0.00 0.00 176.54 176.67 3dgq h GLN 125 N 0.00 0.00 0.00 4.80 1.08 -0.91 -3.33 115.11 116.75 3dgq h GLN 125 Ca -0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 3dgq h GLN 125 Cb 0.55 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 3dgq h GLN 125 CO 0.03 0.69 -1.38 -0.07 -0.95 0.00 0.00 178.83 177.16 3dgq h LEU 126 N 0.00 0.00 -0.80 1.46 3.38 -0.69 -3.39 115.31 115.26 3dgq h LEU 126 Ca -0.06 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.05 3dgq h LEU 126 Cb 1.66 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 3dgq h LEU 126 CO 0.09 0.86 0.37 0.50 0.09 0.00 0.00 178.44 180.36 3dgq h LYS 127 N 0.00 0.52 -0.79 1.13 3.64 -1.16 -0.97 116.57 118.94 3dgq h LYS 127 Ca -0.17 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3dgq h LYS 127 Cb 1.81 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.46 3dgq h LYS 127 CO 0.08 0.34 0.52 -1.35 -2.27 0.00 0.00 179.45 176.78 3dgq h PRO 128 N 0.53 0.50 -0.23 1.90 0.11 -1.77 0.55 132.00 133.59 3dgq h PRO 128 Ca 0.44 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.35 3dgq h PRO 128 Cb 0.65 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 3dgq h PRO 128 CO -0.38 0.33 -0.56 0.74 -0.21 0.00 0.00 178.00 177.92 3dgq h PHE 129 N 0.51 0.88 -0.32 0.65 0.04 -1.46 -0.47 116.94 116.77 3dgq h PHE 129 Ca 0.39 -0.32 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3dgq h PHE 129 Cb 0.79 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 3dgq h PHE 129 CO -0.00 1.10 0.10 1.49 -0.60 0.00 0.00 178.31 180.39 3dgq h GLU 130 N 0.53 0.22 -0.33 1.51 4.57 -1.13 -1.19 114.58 118.77 3dgq h GLU 130 Ca 0.01 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3dgq h GLU 130 Cb 1.13 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 3dgq h GLU 130 CO 0.11 0.15 0.04 1.15 -1.18 0.00 0.00 179.01 179.28 3dgq h THR 131 N 0.23 0.80 -0.22 0.32 2.02 -0.70 0.82 112.91 116.17 3dgq h THR 131 Ca 0.15 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3dgq h THR 131 Cb 0.13 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3dgq h THR 131 CO -0.16 0.03 -0.00 -0.07 0.37 0.00 0.00 175.52 175.68 3dgq h LEU 132 N 0.15 -0.09 -0.47 2.58 3.38 -0.89 -1.58 115.31 118.39 3dgq h LEU 132 Ca 0.16 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.26 3dgq h LEU 132 Cb 0.19 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3dgq h LEU 132 CO -0.23 -0.02 0.10 -0.07 0.09 0.00 0.00 178.44 178.30 3dgq h LEU 133 N 0.07 0.01 -2.13 1.67 3.38 -0.80 -1.87 115.31 115.64 3dgq h LEU 133 Ca 0.11 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3dgq h LEU 133 Cb 0.14 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dgq h LEU 133 CO -0.18 0.04 -0.06 0.77 0.09 0.00 0.00 178.44 179.09 3dgq h SER 134 N 0.23 0.00 -0.07 -0.43 4.64 0.00 0.06 113.55 117.98 3dgq h SER 134 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3dgq h SER 134 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dgq h SER 134 CO -0.30 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.73 3dgq n GLN 135 N -3.92 1.91 -3.91 4.77 6.02 -0.68 -4.10 117.38 117.47 3dgq n GLN 135 Ca -0.03 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.00 55.32 3dgq n GLN 135 Cb 0.16 -1.46 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 3dgq n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3dgq s ASN 136 N -1.89 4.45 -1.45 1.08 2.47 -0.24 -4.84 114.94 114.53 3dgq s ASN 136 Ca 0.35 -2.13 -0.11 0.00 0.42 0.00 0.00 52.86 51.38 3dgq s ASN 136 Cb 0.20 -1.38 0.08 0.00 -1.45 0.00 0.00 41.25 38.70 3dgq s ASN 136 CO 0.31 -0.37 0.71 0.00 -3.72 0.00 0.00 177.10 174.04 3dgq n GLN 137 N 4.25 -4.35 -1.86 0.43 6.02 -1.26 -1.20 117.38 119.41 3dgq n GLN 137 Ca 0.03 0.57 -0.21 0.00 -0.01 0.00 0.00 57.00 57.38 3dgq n GLN 137 Cb 0.41 -5.37 -0.06 0.00 1.02 0.00 0.00 30.24 26.24 3dgq n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dgq n GLY 138 N -1.43 1.15 2.14 1.08 0.00 -1.26 -2.28 105.19 104.60 3dgq n GLY 138 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3dgq n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dgq n GLY 139 N -0.59 0.60 0.02 -0.02 0.00 -0.16 -4.80 105.19 100.24 3dgq n GLY 139 Ca -0.22 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3dgq n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dgq n LYS 140 N -2.66 0.08 0.00 1.61 4.76 -0.97 -4.79 118.16 116.19 3dgq n LYS 140 Ca -0.03 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3dgq n LYS 140 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3dgq n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3dgq n THR 141 N -1.43 0.00 -4.60 -0.18 -2.24 -1.26 -5.10 114.28 99.47 3dgq n THR 141 Ca 0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 3dgq n THR 141 Cb 0.34 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 3dgq n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dgq n PHE 142 N 0.00 0.87 0.10 4.78 3.72 -1.25 -5.01 117.46 120.67 3dgq n PHE 142 Ca 0.00 -2.37 -0.05 0.00 -0.05 0.00 0.00 57.45 54.98 3dgq n PHE 142 Cb 0.00 -0.34 0.07 0.00 -0.94 0.00 0.00 39.48 38.27 3dgq n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3dgq h ILE 143 N 1.16 1.48 -3.34 4.37 6.09 -1.96 -3.42 117.51 121.89 3dgq h ILE 143 Ca -0.39 -2.40 -0.46 0.00 -1.37 0.00 0.00 64.86 60.24 3dgq h ILE 143 Cb 1.22 2.29 -0.35 0.00 0.47 0.00 0.00 36.82 40.45 3dgq h ILE 143 CO 0.65 0.69 -0.79 -0.69 -3.07 0.00 0.00 178.15 174.95 3dgq s VAL 144 N -3.41 0.72 0.00 2.19 1.01 -1.26 -4.68 120.40 114.97 3dgq s VAL 144 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3dgq s VAL 144 Cb 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3dgq s VAL 144 CO 0.80 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.80 3dgq n GLY 145 N 4.46 0.90 0.71 4.51 0.00 -1.26 -4.21 105.19 110.29 3dgq n GLY 145 Ca -0.18 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.11 3dgq n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dgq n ASP 146 N -2.91 3.31 -4.16 1.61 5.68 -1.26 -3.80 116.55 115.02 3dgq n ASP 146 Ca 0.00 -2.50 -0.15 0.00 -0.50 0.00 0.00 54.79 51.64 3dgq n ASP 146 Cb 0.00 -0.37 -0.11 0.00 -1.14 0.00 0.00 41.12 39.50 3dgq n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dgq s GLN 147 N -1.90 0.79 0.52 0.11 -2.07 -1.26 -4.88 119.66 110.97 3dgq s GLN 147 Ca 0.31 -1.04 -0.21 0.00 -1.82 0.00 0.00 55.36 52.60 3dgq s GLN 147 Cb 0.22 -0.57 -0.06 0.00 -1.09 0.00 0.00 33.01 31.52 3dgq s GLN 147 CO 0.11 0.10 1.18 -1.50 -1.32 0.00 0.00 175.29 173.87 3dgq s ILE 148 N -1.98 2.92 0.27 3.63 2.07 -1.26 -4.77 121.20 122.07 3dgq s ILE 148 Ca 0.01 0.63 0.02 0.00 -1.41 0.00 0.00 60.65 59.90 3dgq s ILE 148 Cb -0.06 -3.29 -0.05 0.00 0.13 0.00 0.00 42.46 39.20 3dgq s ILE 148 CO 0.01 -0.07 0.10 -0.94 -1.91 0.00 0.00 174.94 172.13 3dgq s SER 149 N -1.50 1.33 0.55 4.50 1.04 -1.26 -4.56 113.70 113.80 3dgq s SER 149 Ca 0.70 -1.41 0.22 0.00 0.48 0.00 0.00 55.95 55.95 3dgq s SER 149 Cb -0.29 0.18 1.52 0.00 0.10 0.00 0.00 66.02 67.53 3dgq s SER 149 CO 0.33 -0.75 2.19 2.19 0.98 0.00 0.00 173.24 178.19 3dgq h PHE 150 N 2.34 0.00 -0.03 5.02 -5.15 -1.39 -0.25 116.94 117.48 3dgq h PHE 150 Ca -0.38 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.33 3dgq h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.41 3dgq h PHE 150 CO 0.55 0.01 -0.28 0.00 -2.00 0.00 0.00 178.31 176.59 3dgq h ALA 151 N 1.99 1.48 -0.60 12.09 0.00 -1.87 -1.99 119.26 130.36 3dgq h ALA 151 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3dgq h ALA 151 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dgq h ALA 151 CO 0.00 0.38 0.34 -0.44 0.00 0.00 0.00 179.25 179.53 3dgq h ASP 152 N 0.05 0.74 -0.16 0.00 3.32 -1.43 0.11 116.42 119.04 3dgq h ASP 152 Ca 0.01 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3dgq h ASP 152 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3dgq h ASP 152 CO 0.04 0.61 -0.40 1.88 -1.72 0.00 0.00 179.24 179.65 3dgq h TYR 153 N 0.81 0.83 -0.16 4.55 0.05 -1.42 0.11 116.97 121.75 3dgq h TYR 153 Ca 0.21 -0.24 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3dgq h TYR 153 Cb 0.03 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.58 3dgq h TYR 153 CO -0.01 0.98 -0.08 -0.97 -1.05 0.00 0.00 178.16 177.03 3dgq h ASN 154 N 0.57 0.34 -0.43 3.88 -1.24 -1.17 -1.61 115.58 115.92 3dgq h ASN 154 Ca 0.05 -0.42 0.02 0.00 0.71 0.00 0.00 56.30 56.66 3dgq h ASN 154 Cb 0.93 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 3dgq h ASN 154 CO 0.08 0.68 0.26 0.25 -1.29 0.00 0.00 177.43 177.42 3dgq h LEU 155 N -0.00 0.44 -0.19 0.34 5.85 -0.72 -0.83 115.31 120.19 3dgq h LEU 155 Ca 0.03 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3dgq h LEU 155 Cb 0.55 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3dgq h LEU 155 CO 0.02 0.31 -0.01 0.25 -0.34 0.00 0.00 178.44 178.67 3dgq h LEU 156 N 0.53 -0.10 -0.47 2.25 5.85 -0.64 0.72 115.31 123.44 3dgq h LEU 156 Ca 0.17 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3dgq h LEU 156 Cb -0.01 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3dgq h LEU 156 CO -0.07 -0.03 0.17 -0.78 -0.34 0.00 0.00 178.44 177.39 3dgq h ASP 157 N 0.04 0.18 -0.97 1.25 3.58 -1.11 0.11 116.42 119.50 3dgq h ASP 157 Ca 0.09 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3dgq h ASP 157 Cb 0.12 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 3dgq h ASP 157 CO -0.16 0.13 0.64 0.25 -2.88 0.00 0.00 179.24 177.22 3dgq h LEU 158 N 0.35 1.10 -0.25 2.28 5.85 -0.33 -0.94 115.31 123.36 3dgq h LEU 158 Ca 0.23 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 3dgq h LEU 158 Cb 0.23 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3dgq h LEU 158 CO -0.23 0.78 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.86 3dgq h LEU 159 N 1.29 0.85 -0.40 2.25 3.38 0.01 -2.10 115.31 120.59 3dgq h LEU 159 Ca 0.37 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3dgq h LEU 159 Cb -0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3dgq h LEU 159 CO -0.09 1.32 0.26 -0.07 0.09 0.00 0.00 178.44 179.96 3dgq h LEU 160 N 0.51 0.45 -1.07 1.67 3.38 -0.23 -0.63 115.31 119.40 3dgq h LEU 160 Ca -0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3dgq h LEU 160 Cb 1.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3dgq h LEU 160 CO 0.15 0.33 -0.30 0.16 0.09 0.00 0.00 178.44 178.87 3dgq h ILE 161 N 0.54 1.26 -0.14 1.22 3.07 -1.16 -2.48 117.51 119.83 3dgq h ILE 161 Ca 0.15 -1.26 -0.11 0.00 1.55 0.00 0.00 64.86 65.19 3dgq h ILE 161 Cb -0.06 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 3dgq h ILE 161 CO -0.04 0.39 -0.38 0.45 -1.05 0.00 0.00 178.15 177.52 3dgq h HIS 162 N 0.26 0.34 0.00 0.16 3.86 -0.78 -1.51 115.15 117.48 3dgq h HIS 162 Ca 0.04 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3dgq h HIS 162 Cb 0.66 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3dgq h HIS 162 CO 0.01 0.64 -0.27 0.93 0.86 0.00 0.00 177.93 180.10 3dgq h GLU 163 N 0.25 0.00 -0.05 2.45 5.08 -0.68 0.10 114.58 121.73 3dgq h GLU 163 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3dgq h GLU 163 Cb 0.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.05 3dgq h GLU 163 CO 0.06 0.27 -0.55 0.28 -1.00 0.00 0.00 179.01 178.07 3dgq h VAL 164 N 0.00 1.39 -0.54 3.13 2.07 -1.18 -2.59 116.25 118.54 3dgq h VAL 164 Ca -0.00 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.49 3dgq h VAL 164 Cb 0.53 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3dgq h VAL 164 CO 0.04 0.57 0.02 0.25 0.02 0.00 0.00 177.57 178.47 3dgq h LEU 165 N 0.01 0.92 -6.30 2.57 5.85 -1.01 -3.38 115.31 113.97 3dgq h LEU 165 Ca -0.05 -0.30 -0.58 0.00 0.84 0.00 0.00 57.88 57.78 3dgq h LEU 165 Cb 1.23 -0.25 -0.38 0.00 0.37 0.00 0.00 40.66 41.63 3dgq h LEU 165 CO 0.11 0.99 -0.99 0.00 -0.34 0.00 0.00 178.44 178.21 3dgq n ALA 166 N -2.45 2.80 -1.61 1.25 0.00 0.33 -5.10 120.51 115.72 3dgq n ALA 166 Ca 0.02 -3.25 -0.48 0.00 0.00 0.00 0.00 53.44 49.73 3dgq n ALA 166 Cb 0.32 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 3dgq n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dgq n PRO 167 N 2.44 1.48 -0.91 0.00 -0.02 -0.98 -1.29 135.00 135.72 3dgq n PRO 167 Ca 0.27 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3dgq n PRO 167 Cb 0.49 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3dgq n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dgq n GLY 168 N 2.26 0.65 0.31 -1.23 0.00 -1.26 -4.92 105.19 100.99 3dgq n GLY 168 Ca 0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.36 3dgq n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dgq n LEU 170 N -3.27 1.75 0.27 0.00 4.77 -1.26 -4.15 117.00 115.11 3dgq n LEU 170 Ca -0.02 -0.63 0.11 0.00 -0.03 0.00 0.00 56.01 55.44 3dgq n LEU 170 Cb 0.16 -0.03 0.75 0.00 -2.33 0.00 0.00 43.42 41.96 3dgq n LEU 170 CO 0.24 0.31 1.09 0.44 -1.33 0.00 0.00 177.39 178.15 3dgq h ASP 171 N 2.61 0.00 0.47 -1.43 3.32 -1.53 -0.66 116.42 119.20 3dgq h ASP 171 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dgq h ASP 171 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3dgq h ASP 171 CO 0.00 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.46 3dgq n ALA 172 N -2.45 2.65 -3.58 3.45 0.00 -1.26 -4.60 120.51 114.72 3dgq n ALA 172 Ca -0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 3dgq n ALA 172 Cb 0.09 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.03 3dgq n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dgq s PHE 173 N -2.54 1.93 0.30 0.00 0.08 -0.25 -4.99 117.98 112.52 3dgq s PHE 173 Ca 0.28 -2.63 0.00 0.00 0.12 0.00 0.00 56.93 54.70 3dgq s PHE 173 Cb 0.20 -1.56 0.51 0.00 -0.57 0.00 0.00 43.02 41.61 3dgq s PHE 173 CO 0.47 -0.73 1.93 -1.35 -0.10 0.00 0.00 175.22 175.44 3dgq h PRO 174 N 5.69 1.01 -0.15 0.24 0.11 -1.81 0.30 132.00 137.38 3dgq h PRO 174 Ca 0.20 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 3dgq h PRO 174 Cb 0.86 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3dgq h PRO 174 CO 0.49 0.67 -0.24 -0.07 -0.21 0.00 0.00 178.00 178.63 3dgq h LEU 175 N 1.04 0.48 -0.98 2.35 3.38 -1.94 -1.25 115.31 118.40 3dgq h LEU 175 Ca 0.37 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3dgq h LEU 175 Cb 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3dgq h LEU 175 CO -0.13 0.92 0.65 -0.07 0.09 0.00 0.00 178.44 179.90 3dgq h LEU 176 N 0.06 1.11 -0.06 1.67 3.38 -1.84 -0.21 115.31 119.42 3dgq h LEU 176 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dgq h LEU 176 Cb 0.82 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dgq h LEU 176 CO 0.06 0.79 0.03 0.28 0.09 0.00 0.00 178.44 179.69 3dgq h SER 177 N 1.31 0.07 -0.17 -0.43 0.02 -0.82 -1.25 113.55 112.28 3dgq h SER 177 Ca 0.37 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3dgq h SER 177 Cb -0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3dgq h SER 177 CO -0.09 0.14 -0.29 0.00 -1.14 0.00 0.00 176.83 175.45 3dgq h ALA 178 N 0.94 0.91 -0.40 3.77 0.00 -1.00 -2.21 119.26 121.27 3dgq h ALA 178 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3dgq h ALA 178 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dgq h ALA 178 CO -0.00 0.62 0.26 -0.92 0.00 0.00 0.00 179.25 179.21 3dgq h TYR 179 N 0.56 0.49 -0.38 0.00 3.20 -0.87 0.56 116.97 120.53 3dgq h TYR 179 Ca 0.07 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3dgq h TYR 179 Cb 0.78 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3dgq h TYR 179 CO 0.03 0.31 0.22 0.28 -1.64 0.00 0.00 178.16 177.36 3dgq h VAL 180 N 0.53 1.04 -0.45 1.81 2.07 -1.06 0.11 116.25 120.29 3dgq h VAL 180 Ca 0.15 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3dgq h VAL 180 Cb -0.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3dgq h VAL 180 CO -0.04 0.08 0.28 1.23 0.02 0.00 0.00 177.57 179.14 3dgq h GLY 181 N 0.45 0.64 0.69 2.17 0.00 -0.99 -0.24 103.07 105.79 3dgq h GLY 181 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3dgq h GLY 181 CO -0.07 0.19 -0.14 -0.09 0.00 0.00 0.00 176.54 176.43 3dgq h ARG 182 N 0.56 -0.37 -0.67 4.80 2.43 -0.58 -2.56 114.38 117.98 3dgq h ARG 182 Ca 0.18 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3dgq h ARG 182 Cb -0.01 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3dgq h ARG 182 CO -0.07 -0.06 0.44 -0.07 -1.51 0.00 0.00 179.97 178.70 3dgq h LEU 183 N -0.70 0.77 -2.53 3.80 3.38 -0.94 -2.53 115.31 116.55 3dgq h LEU 183 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dgq h LEU 183 Cb 0.48 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dgq h LEU 183 CO 0.06 0.55 -0.02 0.28 0.09 0.00 0.00 178.44 179.41 3dgq h SER 184 N 0.90 0.00 0.42 -0.43 0.02 -0.96 -2.02 113.55 111.49 3dgq h SER 184 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3dgq h SER 184 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3dgq h SER 184 CO -0.06 0.02 -0.42 0.00 -1.14 0.00 0.00 176.83 175.23 3dgq n ALA 185 N -2.16 3.39 -1.67 3.77 0.00 -0.96 -3.19 120.51 119.70 3dgq n ALA 185 Ca -0.02 -0.36 -0.49 0.00 0.00 0.00 0.00 53.44 52.56 3dgq n ALA 185 Cb 0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3dgq n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dgq n ARG 186 N -1.24 1.92 -0.18 0.00 1.74 -0.76 -4.67 116.66 113.46 3dgq n ARG 186 Ca 0.08 0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 57.75 3dgq n ARG 186 Cb 0.34 -2.47 -0.06 0.00 -1.02 0.00 0.00 32.46 29.24 3dgq n ARG 186 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3dgq h PRO 187 N 7.16 -0.28 -0.59 5.56 0.11 -1.91 0.51 132.00 142.55 3dgq h PRO 187 Ca -0.47 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3dgq h PRO 187 Cb 1.28 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3dgq h PRO 187 CO 0.91 -0.19 0.11 0.87 -0.21 0.00 0.00 178.00 179.48 3dgq h LYS 188 N -0.29 0.95 -0.03 1.05 1.57 -1.89 -0.92 116.57 117.00 3dgq h LYS 188 Ca 0.14 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dgq h LYS 188 Cb 0.57 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3dgq h LYS 188 CO -0.65 0.87 0.00 1.25 -0.57 0.00 0.00 179.45 180.35 3dgq h LEU 189 N 0.90 0.05 -0.57 2.94 5.85 -1.55 -0.97 115.31 121.96 3dgq h LEU 189 Ca 0.19 -0.29 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3dgq h LEU 189 Cb 0.38 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3dgq h LEU 189 CO 0.01 0.33 0.07 0.50 -0.34 0.00 0.00 178.44 179.01 3dgq h LYS 190 N -0.22 0.19 -0.42 1.25 3.64 0.12 0.62 116.57 121.74 3dgq h LYS 190 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dgq h LYS 190 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3dgq h LYS 190 CO 0.00 0.13 0.21 0.00 -2.27 0.00 0.00 179.45 177.52 3dgq h ALA 191 N 1.48 0.54 -0.13 5.00 0.00 -1.05 -2.34 119.26 122.76 3dgq h ALA 191 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dgq h ALA 191 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dgq h ALA 191 CO -0.42 0.09 0.07 0.35 0.00 0.00 0.00 179.25 179.34 3dgq h PHE 192 N 0.54 0.18 -0.12 0.00 3.57 -0.50 -2.36 116.94 118.26 3dgq h PHE 192 Ca 0.15 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3dgq h PHE 192 Cb 0.09 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3dgq h PHE 192 CO -0.02 0.20 0.10 -0.07 -2.23 0.00 0.00 178.31 176.29 3dgq h LEU 193 N 0.11 0.00 0.00 0.59 3.38 -0.74 -1.65 115.31 117.00 3dgq h LEU 193 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dgq h LEU 193 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dgq h LEU 193 CO -0.01 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.00 3dgq n ALA 194 N -2.47 2.84 -1.78 1.53 0.00 -0.89 -4.41 120.51 115.32 3dgq n ALA 194 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 3dgq n ALA 194 Cb 0.21 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 3dgq n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dgq s SER 195 N -4.21 6.38 0.43 0.00 1.04 -0.62 -4.79 113.70 111.92 3dgq s SER 195 Ca 0.07 1.85 0.18 0.00 0.48 0.00 0.00 55.95 58.53 3dgq s SER 195 Cb 0.13 -2.55 1.10 0.00 0.10 0.00 0.00 66.02 64.80 3dgq s SER 195 CO 0.70 -0.76 1.88 -0.65 0.98 0.00 0.00 173.24 175.40 3dgq h PRO 196 N 1.40 0.37 0.00 4.02 0.11 -1.92 0.49 132.00 136.47 3dgq h PRO 196 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3dgq h PRO 196 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dgq h PRO 196 CO 0.59 0.24 -0.06 1.05 -0.21 0.00 0.00 178.00 179.61 3dgq h GLU 197 N 0.38 0.00 0.00 1.05 4.11 -1.92 -0.49 114.58 117.71 3dgq h GLU 197 Ca 0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.69 3dgq h GLU 197 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 3dgq h GLU 197 CO -0.14 0.06 -1.50 0.98 0.07 0.00 0.00 179.01 178.49 3dgq n TYR 198 N -3.44 0.12 -0.14 2.06 9.36 -0.76 -4.49 117.16 119.88 3dgq n TYR 198 Ca -0.02 0.05 0.02 0.00 3.32 0.00 0.00 57.90 61.28 3dgq n TYR 198 Cb 0.20 -0.72 0.31 0.00 -0.63 0.00 0.00 39.34 38.50 3dgq n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3dgq h VAL 199 N -1.00 1.16 -0.09 2.97 2.07 -0.89 -2.78 116.25 117.69 3dgq h VAL 199 Ca -0.25 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dgq h VAL 199 Cb 1.18 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3dgq h VAL 199 CO -0.15 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.18 3dgq n ASN 200 N -4.44 0.99 -4.85 0.57 3.02 -0.20 -4.74 115.26 105.61 3dgq n ASN 200 Ca 0.07 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.67 3dgq n ASN 200 Cb 0.05 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 3dgq n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dgq s LEU 201 N -1.61 4.45 0.66 3.41 1.43 -1.05 -5.08 118.68 120.89 3dgq s LEU 201 Ca 0.31 0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 54.08 3dgq s LEU 201 Cb 0.16 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3dgq s LEU 201 CO 0.25 0.35 1.07 -2.16 0.23 0.00 0.00 176.35 176.09 3dgq s PRO 202 N -1.08 3.01 0.12 1.29 0.04 -1.26 -4.71 135.00 132.41 3dgq s PRO 202 Ca 0.21 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 3dgq s PRO 202 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3dgq s PRO 202 CO 0.10 -1.05 1.68 0.82 0.04 0.00 0.00 177.00 178.59 3dgq h ILE 203 N -0.22 1.16 -0.55 0.56 2.04 -1.95 0.05 117.51 118.59 3dgq h ILE 203 Ca -0.45 -0.48 -0.67 0.00 1.00 0.00 0.00 64.86 64.26 3dgq h ILE 203 Cb 1.22 0.92 -0.13 0.00 -0.74 0.00 0.00 36.82 38.09 3dgq h ILE 203 CO 0.56 0.17 -0.52 0.20 0.00 0.00 0.00 178.15 178.56 3dgq s ASN 204 N -5.69 4.04 0.00 1.72 -0.87 -1.26 -0.56 114.94 112.33 3dgq s ASN 204 Ca -0.13 -1.64 0.26 0.00 -1.57 0.00 0.00 52.86 49.77 3dgq s ASN 204 Cb 0.09 0.48 0.60 0.00 -0.02 0.00 0.00 41.25 42.39 3dgq s ASN 204 CO 0.73 -0.84 1.47 0.61 -2.57 0.00 0.00 177.10 176.49 3dgq n GLY 205 N -1.23 -0.85 0.02 0.66 0.00 -1.26 -4.22 105.19 98.30 3dgq n GLY 205 Ca -0.18 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.46 3dgq n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dgq n ASN 206 N -0.99 1.99 0.00 1.61 6.94 -1.26 -4.98 115.26 118.56 3dgq n ASN 206 Ca 0.09 -2.17 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3dgq n ASN 206 Cb 0.35 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 3dgq n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dgq n GLY 207 N -0.65 0.87 3.88 4.83 0.00 -1.26 -5.03 105.19 107.83 3dgq n GLY 207 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3dgq n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dgq s LYS 208 N -0.00 3.26 0.00 1.61 1.02 -1.26 -5.05 119.74 119.32 3dgq s LYS 208 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3dgq s LYS 208 Cb 0.00 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3dgq s LYS 208 CO 0.00 0.57 0.00 0.00 -0.92 0.00 0.00 175.35 175.00