#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgq n TYR 3 N 0.00 0.00 -4.47 6.00 4.01 -1.25 -4.06 117.16 117.40 3dgq n TYR 3 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 3dgq n TYR 3 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 3dgq n TYR 3 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dgq s THR 4 N 0.00 0.94 -0.21 -0.72 2.01 -0.30 -0.84 115.64 116.51 3dgq s THR 4 Ca 0.00 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 3dgq s THR 4 Cb 0.00 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3dgq s THR 4 CO 0.00 0.30 0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 3dgq s VAL 5 N 0.53 4.06 -0.25 3.82 1.01 0.22 -0.90 120.40 128.89 3dgq s VAL 5 Ca -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3dgq s VAL 5 Cb -0.13 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3dgq s VAL 5 CO 0.02 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.88 3dgq s VAL 6 N 1.13 3.99 0.10 2.92 1.01 0.05 -0.07 120.40 129.53 3dgq s VAL 6 Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 3dgq s VAL 6 Cb -0.14 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.42 3dgq s VAL 6 CO 0.02 0.32 0.92 -0.47 0.00 0.00 0.00 175.10 175.88 3dgq s TYR 7 N 1.56 -0.23 0.85 5.22 5.04 -0.64 -2.31 117.35 126.84 3dgq s TYR 7 Ca 0.06 -0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.57 3dgq s TYR 7 Cb -0.15 0.60 0.11 0.00 0.35 0.00 0.00 41.96 42.86 3dgq s TYR 7 CO 0.02 -0.73 1.10 -0.06 -1.34 0.00 0.00 175.55 174.54 3dgq s PHE 8 N -3.25 2.22 -1.29 4.97 0.08 -1.26 -0.70 117.98 118.75 3dgq s PHE 8 Ca 0.09 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 3dgq s PHE 8 Cb -0.01 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3dgq s PHE 8 CO -0.02 -2.28 2.25 -0.35 -0.10 0.00 0.00 175.22 174.71 3dgq n PRO 9 N -3.85 2.60 -3.90 0.24 -0.04 -1.26 -4.78 135.00 124.01 3dgq n PRO 9 Ca 0.09 -2.30 -0.09 0.00 -0.04 0.00 0.00 63.50 61.16 3dgq n PRO 9 Cb 0.53 -3.09 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 3dgq n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dgq s VAL 10 N 3.50 0.05 -0.02 0.52 -7.23 -1.26 -4.39 120.40 111.57 3dgq s VAL 10 Ca 0.52 -1.21 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 3dgq s VAL 10 Cb 0.14 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 3dgq s VAL 10 CO -0.03 -0.22 0.31 0.03 -0.31 0.00 0.00 175.10 174.87 3dgq h ARG 11 N 2.42 -0.10 0.00 4.82 3.08 -1.05 -3.46 114.38 120.09 3dgq h ARG 11 Ca -0.30 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3dgq h ARG 11 Cb 1.24 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3dgq h ARG 11 CO 0.44 -0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.68 3dgq n GLY 12 N 1.09 2.38 0.00 0.04 0.00 0.53 -1.44 105.19 107.79 3dgq n GLY 12 Ca -0.01 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.65 0.00 1.61 1.74 -1.26 -2.66 116.66 130.74 3dgq n ARG 13 Ca 0.00 0.02 0.10 0.00 -0.77 0.00 0.00 57.85 57.20 3dgq n ARG 13 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 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 2.96 0.39 -0.31 0.00 0.00 -1.08 -1.03 119.26 120.20 3dgq h ALA 15 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dgq h ALA 15 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3dgq h ALA 15 CO 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.10 3dgq h ALA 16 N 1.18 0.40 -0.19 0.00 0.00 -1.82 -1.12 119.26 117.72 3dgq h ALA 16 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3dgq h ALA 16 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dgq h ALA 16 CO -0.11 0.05 -0.22 1.37 0.00 0.00 0.00 179.25 180.34 3dgq h LEU 17 N 0.34 0.33 -0.35 0.00 8.10 -1.81 -0.36 115.31 121.57 3dgq h LEU 17 Ca 0.10 -0.10 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 3dgq h LEU 17 Cb 0.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 3dgq h LEU 17 CO -0.00 0.56 0.10 0.03 -4.11 0.00 0.00 178.44 175.02 3dgq h ARG 18 N 0.31 0.54 -0.67 0.17 3.08 -0.98 -1.22 114.38 115.62 3dgq h ARG 18 Ca 0.05 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.04 3dgq h ARG 18 Cb 0.56 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3dgq h ARG 18 CO 0.04 0.58 0.35 0.52 -1.07 0.00 0.00 179.97 180.40 3dgq h MET 19 N 0.41 0.63 0.25 0.04 2.86 -0.86 -0.39 114.93 117.86 3dgq h MET 19 Ca 0.11 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3dgq h MET 19 Cb 0.27 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3dgq h MET 19 CO -0.00 0.41 -0.33 1.25 1.06 0.00 0.00 176.91 179.30 3dgq h LEU 20 N 0.64 -0.92 -0.51 1.22 6.46 -0.87 0.94 115.31 122.28 3dgq h LEU 20 Ca 0.31 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.17 3dgq h LEU 20 Cb 0.23 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 3dgq h LEU 20 CO -0.20 -0.45 0.31 -0.07 -0.62 0.00 0.00 178.44 177.41 3dgq h LEU 21 N -0.64 0.52 0.28 2.25 3.38 -0.92 -0.64 115.31 119.53 3dgq h LEU 21 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dgq h LEU 21 Cb 0.61 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3dgq h LEU 21 CO -0.11 0.37 -0.13 0.00 0.09 0.00 0.00 178.44 178.66 3dgq h ALA 22 N 1.21 -0.38 -0.03 1.53 0.00 -0.97 0.85 119.26 121.47 3dgq h ALA 22 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dgq h ALA 22 Cb -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dgq h ALA 22 CO -0.07 -0.65 0.02 0.22 0.00 0.00 0.00 179.25 178.77 3dgq h ASP 23 N -0.50 0.00 -0.36 0.00 3.58 -0.67 -0.80 116.42 117.67 3dgq h ASP 23 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3dgq h ASP 23 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3dgq h ASP 23 CO 0.06 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 3dgq n GLN 24 N -4.25 1.94 -2.17 0.28 1.13 -0.26 -4.79 117.38 109.27 3dgq n GLN 24 Ca -0.02 -1.46 -0.17 0.00 -1.94 0.00 0.00 57.00 53.41 3dgq n GLN 24 Cb 0.12 -1.35 -0.02 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 1.18 0.05 3.88 1.08 0.00 -0.31 -4.99 105.19 106.09 3dgq n GLY 25 Ca 0.15 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.59 3.74 -0.06 1.61 -1.52 0.24 -5.03 119.66 114.04 3dgq s GLN 26 Ca 0.00 0.36 -0.04 0.00 -1.95 0.00 0.00 55.36 53.74 3dgq s GLN 26 Cb 0.00 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 3dgq s GLN 26 CO 0.00 0.01 0.12 -1.12 -0.25 0.00 0.00 175.29 174.05 3dgq s SER 27 N -3.18 6.05 0.15 5.90 0.01 -1.26 -4.55 113.70 116.82 3dgq s SER 27 Ca 0.50 0.32 -0.13 0.00 1.31 0.00 0.00 55.95 57.94 3dgq s SER 27 Cb -0.10 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.27 3dgq s SER 27 CO 0.31 0.34 0.36 -1.66 0.41 0.00 0.00 173.24 173.01 3dgq s TRP 28 N -1.11 0.04 -0.16 2.43 -2.14 -1.26 -4.42 118.94 112.31 3dgq s TRP 28 Ca 0.19 -0.39 -0.07 0.00 2.66 0.00 0.00 56.10 58.49 3dgq s TRP 28 Cb -0.12 0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 3dgq s TRP 28 CO 0.09 -0.73 0.07 0.21 -2.66 0.00 0.00 176.95 173.93 3dgq s LYS 29 N -3.87 3.78 -0.27 3.25 2.47 -0.02 -5.01 119.74 120.07 3dgq s LYS 29 Ca 0.09 -0.32 -0.14 0.00 -1.56 0.00 0.00 55.97 54.04 3dgq s LYS 29 Cb 0.02 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.19 3dgq s LYS 29 CO -0.06 0.41 0.32 -1.21 0.16 0.00 0.00 175.35 174.97 3dgq s GLU 30 N -0.01 4.01 -0.36 4.03 0.41 -1.26 -0.61 118.70 124.91 3dgq s GLU 30 Ca 0.06 -0.05 -0.12 0.00 -0.41 0.00 0.00 54.97 54.46 3dgq s GLU 30 Cb -0.12 -3.64 0.01 0.00 -1.78 0.00 0.00 34.13 28.59 3dgq s GLU 30 CO 0.01 -0.23 0.22 -2.00 -0.49 0.00 0.00 175.26 172.77 3dgq s GLU 31 N 1.91 3.10 -0.13 1.61 2.56 0.90 -4.98 118.70 123.67 3dgq s GLU 31 Ca 0.13 -0.90 -0.19 0.00 0.00 0.00 0.00 54.97 54.01 3dgq s GLU 31 Cb -0.16 -3.76 -0.04 0.00 2.00 0.00 0.00 34.13 32.18 3dgq s GLU 31 CO 0.10 -0.60 0.53 0.08 -0.56 0.00 0.00 175.26 174.81 3dgq s VAL 32 N 1.62 5.14 -0.22 3.70 1.01 -1.26 -1.63 120.40 128.77 3dgq s VAL 32 Ca 0.04 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 3dgq s VAL 32 Cb -0.18 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3dgq s VAL 32 CO 0.08 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 3dgq s VAL 33 N 0.92 3.61 0.74 2.92 1.01 0.12 -4.94 120.40 124.78 3dgq s VAL 33 Ca 0.27 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3dgq s VAL 33 Cb -0.16 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.66 3dgq s VAL 33 CO 0.11 0.41 1.05 0.42 0.00 0.00 0.00 175.10 177.10 3dgq s THR 34 N 1.37 2.22 0.12 3.92 -4.23 -1.26 -4.08 115.64 113.70 3dgq s THR 34 Ca 0.04 -0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 60.04 3dgq s THR 34 Cb -0.14 -2.97 -0.08 0.00 1.34 0.00 0.00 72.50 70.65 3dgq s THR 34 CO -0.01 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.27 3dgq h VAL 35 N -0.72 0.35 -0.68 2.29 2.07 -1.99 -1.29 116.25 116.28 3dgq h VAL 35 Ca -0.44 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3dgq h VAL 35 Cb 1.31 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3dgq h VAL 35 CO 0.58 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 178.51 3dgq h GLU 36 N -0.51 0.80 -0.49 1.57 4.81 -1.99 -0.37 114.58 118.41 3dgq h GLU 36 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3dgq h GLU 36 Cb 0.55 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3dgq h GLU 36 CO -0.20 0.53 0.23 1.15 -0.73 0.00 0.00 179.01 180.00 3dgq h THR 37 N 0.83 1.19 -0.56 0.32 2.02 -1.89 -1.31 112.91 113.52 3dgq h THR 37 Ca 0.27 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 3dgq h THR 37 Cb 0.02 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3dgq h THR 37 CO -0.11 0.21 0.18 -0.25 0.37 0.00 0.00 175.52 175.92 3dgq h TRP 38 N 0.65 0.89 0.00 3.16 2.91 -0.82 -2.77 115.95 119.97 3dgq h TRP 38 Ca 0.17 -0.09 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 3dgq h TRP 38 Cb 0.12 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 3dgq h TRP 38 CO -0.01 0.75 -0.18 1.96 -1.03 0.00 0.00 178.44 179.93 3dgq h GLN 39 N 0.77 0.00 -0.23 2.65 4.20 -0.81 -2.56 115.11 119.14 3dgq h GLN 39 Ca 0.18 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.91 3dgq h GLN 39 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3dgq h GLN 39 CO -0.01 0.18 0.15 1.49 -0.67 0.00 0.00 178.83 179.98 3dgq h GLU 40 N 0.00 0.23 0.00 1.46 4.22 -0.94 -3.46 114.58 116.09 3dgq h GLU 40 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3dgq h GLU 40 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3dgq h GLU 40 CO 0.02 0.15 0.00 0.41 -2.18 0.00 0.00 179.01 177.42 3dgq n GLY 41 N -1.52 2.97 0.33 1.92 0.00 -0.97 -4.95 105.19 102.97 3dgq n GLY 41 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3dgq n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dgq h SER 42 N 0.13 -0.66 -0.43 1.61 0.02 -1.84 -0.32 113.55 112.05 3dgq h SER 42 Ca 0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3dgq h SER 42 Cb 0.00 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3dgq h SER 42 CO 0.00 -0.46 0.22 0.25 -1.14 0.00 0.00 176.83 175.70 3dgq h LEU 43 N -0.80 0.33 -0.36 5.07 5.85 -1.91 -2.60 115.31 120.89 3dgq h LEU 43 Ca -0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3dgq h LEU 43 Cb 0.61 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3dgq h LEU 43 CO 0.13 0.24 0.14 0.50 -0.34 0.00 0.00 178.44 179.11 3dgq h LYS 44 N 0.45 0.29 -0.21 1.25 3.64 -1.81 -0.62 116.57 119.56 3dgq h LYS 44 Ca 0.18 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3dgq h LYS 44 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3dgq h LYS 44 CO -0.12 0.19 0.17 0.00 -2.27 0.00 0.00 179.45 177.42 3dgq h ALA 45 N 1.22 2.08 0.00 5.00 0.00 -0.86 -2.38 119.26 124.32 3dgq h ALA 45 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dgq h ALA 45 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dgq h ALA 45 CO -0.15 -0.28 -0.41 0.66 0.00 0.00 0.00 179.25 179.07 3dgq h SER 46 N 0.00 0.00 -3.73 0.00 4.64 -0.73 -3.46 113.55 110.27 3dgq h SER 46 Ca 0.10 -0.11 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3dgq h SER 46 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3dgq h SER 46 CO -0.00 0.06 0.41 0.00 -0.87 0.00 0.00 176.83 176.43 3dgq h LEU 48 N 4.30 -1.19 -3.40 0.00 5.85 -1.87 -1.55 115.31 117.45 3dgq h LEU 48 Ca -0.45 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 3dgq h LEU 48 Cb 1.21 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 42.76 3dgq h LEU 48 CO 0.69 -0.31 0.05 -1.22 -0.34 0.00 0.00 178.44 177.30 3dgq n TYR 49 N -5.43 1.34 -1.86 1.25 4.01 -1.26 -4.96 117.16 110.24 3dgq n TYR 49 Ca 0.04 -1.12 -0.17 0.00 -0.16 0.00 0.00 57.90 56.48 3dgq n TYR 49 Cb 0.35 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 38.89 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 -0.57 0.82 3.11 2.72 0.00 -0.58 -4.99 105.19 105.70 3dgq n GLY 50 Ca 0.29 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.08 0.65 0.24 1.61 -0.21 -1.26 -4.95 119.66 111.66 3dgq s GLN 51 Ca 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 54.52 3dgq s GLN 51 Cb 0.00 -0.41 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 3dgq s GLN 51 CO 0.00 0.07 0.38 -0.51 -2.12 0.00 0.00 175.29 173.12 3dgq s LEU 52 N -1.85 4.26 0.60 2.90 1.43 -1.26 -4.60 118.68 120.15 3dgq s LEU 52 Ca -0.05 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3dgq s LEU 52 Cb -0.08 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3dgq s LEU 52 CO 0.00 -0.09 1.07 -2.16 0.23 0.00 0.00 176.35 175.40 3dgq s PRO 53 N -3.87 3.26 -0.06 1.29 0.04 -1.26 -4.97 135.00 129.43 3dgq s PRO 53 Ca 0.36 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3dgq s PRO 53 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3dgq s PRO 53 CO 0.30 -0.86 -0.11 0.21 0.04 0.00 0.00 177.00 176.58 3dgq s LYS 54 N -4.03 2.62 -0.02 4.56 2.20 -0.98 -3.93 119.74 120.17 3dgq s LYS 54 Ca 0.64 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3dgq s LYS 54 Cb -0.17 -2.48 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 3dgq s LYS 54 CO 0.37 0.64 -0.10 0.12 -0.36 0.00 0.00 175.35 176.02 3dgq s PHE 55 N -0.75 0.92 -0.08 4.03 5.36 0.65 -0.77 117.98 127.34 3dgq s PHE 55 Ca 0.12 -0.20 0.04 0.00 -0.96 0.00 0.00 56.93 55.93 3dgq s PHE 55 Cb -0.11 -0.62 -0.00 0.00 -0.34 0.00 0.00 43.02 41.95 3dgq s PHE 55 CO 0.01 -0.05 -0.22 -0.65 -1.46 0.00 0.00 175.22 172.84 3dgq s GLN 56 N -0.05 2.69 -0.42 10.12 -0.21 -0.08 -0.43 119.66 131.29 3dgq s GLN 56 Ca 0.01 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.59 3dgq s GLN 56 Cb -0.06 -2.12 0.13 0.00 1.00 0.00 0.00 33.01 31.96 3dgq s GLN 56 CO -0.00 0.22 0.20 0.34 -2.12 0.00 0.00 175.29 173.93 3dgq s ASP 57 N 0.23 3.93 1.93 5.90 -1.08 -0.42 -1.15 116.67 126.01 3dgq s ASP 57 Ca -0.14 -2.48 0.00 0.00 -0.52 0.00 0.00 52.55 49.41 3dgq s ASP 57 Cb -0.16 -1.17 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 3dgq s ASP 57 CO 0.07 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.07 3dgq n GLY 58 N 3.76 3.85 0.14 2.66 0.00 -1.26 -1.62 105.19 112.72 3dgq n GLY 58 Ca 0.06 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3dgq n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dgq n ASP 59 N 6.21 0.45 -4.69 1.61 8.00 -1.26 -4.80 116.55 122.07 3dgq n ASP 59 Ca 0.00 -1.22 -0.38 0.00 0.71 0.00 0.00 54.79 53.90 3dgq n ASP 59 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 3dgq n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dgq s LEU 60 N -1.91 4.19 -0.17 0.64 2.96 -0.64 -5.06 118.68 118.68 3dgq s LEU 60 Ca 0.42 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 3dgq s LEU 60 Cb 0.20 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3dgq s LEU 60 CO 0.33 -0.07 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.34 3dgq s THR 61 N 1.14 3.45 0.16 3.68 2.01 -1.26 -1.30 115.64 123.53 3dgq s THR 61 Ca 0.22 -0.50 0.11 0.00 0.31 0.00 0.00 61.69 61.83 3dgq s THR 61 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3dgq s THR 61 CO 0.09 0.47 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.51 3dgq s LEU 62 N 0.82 2.51 0.31 4.42 1.43 0.43 -4.97 118.68 123.62 3dgq s LEU 62 Ca -0.02 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 3dgq s LEU 62 Cb -0.15 -1.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 3dgq s LEU 62 CO 0.01 0.14 -0.03 -0.31 0.23 0.00 0.00 176.35 176.40 3dgq s TYR 63 N -1.43 2.07 0.00 0.29 2.02 -1.26 -0.25 117.35 118.79 3dgq s TYR 63 Ca 0.19 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 3dgq s TYR 63 Cb -0.09 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 3dgq s TYR 63 CO 0.09 0.27 0.00 1.04 -1.57 0.00 0.00 175.55 175.38 3dgq n GLN 64 N -0.68 0.00 -0.30 -0.62 1.13 -1.25 -4.59 117.38 111.07 3dgq n GLN 64 Ca -0.05 0.35 0.04 0.00 -1.94 0.00 0.00 57.00 55.40 3dgq n GLN 64 Cb 0.65 -0.25 0.18 0.00 0.11 0.00 0.00 30.24 30.93 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 0.68 0.61 1.08 4.64 -1.88 -1.35 113.55 117.34 3dgq h SER 65 Ca 0.00 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 3dgq h SER 65 Cb 0.00 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3dgq h SER 65 CO 0.00 0.37 -0.53 0.78 -0.87 0.00 0.00 176.83 176.59 3dgq h ASN 66 N 0.79 0.00 -0.38 4.97 4.21 -1.92 0.37 115.58 123.62 3dgq h ASN 66 Ca 0.42 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.91 3dgq h ASN 66 Cb 0.42 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 3dgq h ASN 66 CO -0.27 0.53 0.18 0.74 -1.29 0.00 0.00 177.43 177.32 3dgq h THR 67 N 0.00 1.17 -0.19 2.81 2.02 -1.54 0.08 112.91 117.27 3dgq h THR 67 Ca -0.01 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3dgq h THR 67 Cb 0.98 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3dgq h THR 67 CO 0.07 0.18 0.10 0.40 0.37 0.00 0.00 175.52 176.65 3dgq h ILE 68 N 0.48 1.10 -0.25 3.11 2.04 -0.99 0.66 117.51 123.66 3dgq h ILE 68 Ca 0.13 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3dgq h ILE 68 Cb 0.13 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3dgq h ILE 68 CO -0.02 0.09 -0.04 -0.07 0.00 0.00 0.00 178.15 178.12 3dgq h LEU 69 N 0.20 -0.18 -1.03 1.44 3.38 -0.87 -1.16 115.31 117.09 3dgq h LEU 69 Ca 0.07 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3dgq h LEU 69 Cb 0.06 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3dgq h LEU 69 CO -0.01 -0.06 0.66 0.03 0.09 0.00 0.00 178.44 179.15 3dgq h ARG 70 N 0.03 1.30 -0.23 1.13 3.08 -0.77 0.22 114.38 119.14 3dgq h ARG 70 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3dgq h ARG 70 Cb 0.17 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3dgq h ARG 70 CO -0.23 0.86 0.01 1.25 -1.07 0.00 0.00 179.97 180.79 3dgq h HIS 71 N 1.34 0.42 -0.56 3.04 2.76 -0.56 0.30 115.15 121.89 3dgq h HIS 71 Ca 0.36 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3dgq h HIS 71 Cb -0.16 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 3dgq h HIS 71 CO -0.00 0.55 0.09 -0.07 -1.30 0.00 0.00 177.93 177.21 3dgq h LEU 72 N 0.17 0.85 -0.12 0.26 3.38 -1.00 0.73 115.31 119.58 3dgq h LEU 72 Ca 0.07 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dgq h LEU 72 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3dgq h LEU 72 CO 0.01 0.86 0.05 1.23 0.09 0.00 0.00 178.44 180.68 3dgq h GLY 73 N 1.00 0.15 0.91 0.83 0.00 -0.10 0.11 103.07 105.98 3dgq h GLY 73 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3dgq h GLY 73 CO 0.01 0.03 0.10 -0.09 0.00 0.00 0.00 176.54 176.59 3dgq h ARG 74 N 0.12 0.34 0.00 4.80 2.43 -0.03 0.12 114.38 122.16 3dgq h ARG 74 Ca 0.05 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 3dgq h ARG 74 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3dgq h ARG 74 CO -0.04 0.36 -0.82 1.79 -1.51 0.00 0.00 179.97 179.76 3dgq h THR 75 N 0.23 1.49 -0.19 0.20 1.35 -0.69 -3.19 112.91 112.11 3dgq h THR 75 Ca 0.08 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 3dgq h THR 75 Cb 0.14 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3dgq h THR 75 CO -0.01 0.80 0.00 0.18 -0.25 0.00 0.00 175.52 176.24 3dgq n LEU 76 N -3.43 3.20 -2.01 3.87 4.77 0.01 -4.99 117.00 118.42 3dgq n LEU 76 Ca 0.00 -1.23 -0.09 0.00 -0.03 0.00 0.00 56.01 54.66 3dgq n LEU 76 Cb 0.82 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 3dgq n LEU 76 CO 0.44 0.61 0.08 0.61 -1.33 0.00 0.00 177.39 177.81 3dgq n GLY 77 N 1.41 0.18 2.35 -0.72 0.00 -0.73 -4.97 105.19 102.69 3dgq n GLY 77 Ca 0.16 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.49 4.46 -2.37 0.99 4.77 0.35 -4.77 117.00 117.94 3dgq n LEU 78 Ca -0.06 -4.88 0.01 0.00 -0.03 0.00 0.00 56.01 51.05 3dgq n LEU 78 Cb 0.55 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3dgq n LEU 78 CO 0.29 2.11 0.04 0.00 -1.33 0.00 0.00 177.39 178.50 3dgq n TYR 79 N -0.54 0.71 -0.07 -1.77 4.19 -1.25 -0.64 117.16 117.79 3dgq n TYR 79 Ca 0.38 -1.57 0.01 0.00 3.31 0.00 0.00 57.90 60.03 3dgq n TYR 79 Cb 0.78 -0.12 -0.00 0.00 0.49 0.00 0.00 39.34 40.49 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 -0.27 -2.05 0.19 2.98 0.00 -1.26 -3.82 105.19 100.96 3dgq n GLY 80 Ca 0.05 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.07 0.00 -2.93 1.61 2.10 -1.95 -3.45 116.57 111.88 3dgq h LYS 81 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dgq h LYS 81 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3dgq h LYS 81 CO 0.00 0.00 0.33 0.16 -2.00 0.00 0.00 179.45 177.94 3dgq s ASP 82 N -5.95 0.02 0.27 7.07 1.47 -1.26 -5.02 116.67 113.27 3dgq s ASP 82 Ca 0.06 -1.11 -0.04 0.00 1.18 0.00 0.00 52.55 52.64 3dgq s ASP 82 Cb 0.06 0.81 0.35 0.00 -0.34 0.00 0.00 42.92 43.80 3dgq s ASP 82 CO 0.69 -1.61 1.92 1.56 0.68 0.00 0.00 175.17 178.41 3dgq h GLN 83 N 2.00 1.16 -0.45 2.11 4.20 -1.92 0.77 115.11 122.97 3dgq h GLN 83 Ca -0.32 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3dgq h GLN 83 Cb 1.24 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3dgq h GLN 83 CO 0.41 0.80 0.30 0.37 -0.67 0.00 0.00 178.83 180.05 3dgq h GLN 84 N 1.18 0.60 -0.44 1.46 4.15 -1.98 -0.74 115.11 119.34 3dgq h GLN 84 Ca 0.31 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 3dgq h GLN 84 Cb -0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 3dgq h GLN 84 CO -0.06 0.40 -0.11 0.93 -1.93 0.00 0.00 178.83 178.06 3dgq h GLU 85 N 0.61 0.79 -0.95 1.69 5.08 -1.76 -2.52 114.58 117.53 3dgq h GLU 85 Ca 0.17 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3dgq h GLU 85 Cb -0.07 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 3dgq h GLU 85 CO -0.04 0.87 0.60 0.00 -1.00 0.00 0.00 179.01 179.44 3dgq h ALA 86 N 1.16 1.30 -0.57 3.43 0.00 -0.22 0.18 119.26 124.55 3dgq h ALA 86 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dgq h ALA 86 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3dgq h ALA 86 CO 0.04 0.38 0.24 0.00 0.00 0.00 0.00 179.25 179.91 3dgq h ALA 87 N 1.43 0.74 -0.59 0.00 0.00 -0.74 -0.86 119.26 119.24 3dgq h ALA 87 Ca 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dgq h ALA 87 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dgq h ALA 87 CO -0.17 0.34 0.17 -0.07 0.00 0.00 0.00 179.25 179.53 3dgq h LEU 88 N 0.78 0.88 -0.40 0.00 3.38 -1.02 0.26 115.31 119.19 3dgq h LEU 88 Ca 0.19 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3dgq h LEU 88 Cb 0.19 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3dgq h LEU 88 CO -0.02 0.87 0.00 0.58 0.09 0.00 0.00 178.44 179.96 3dgq h VAL 89 N 0.85 0.71 -0.65 1.22 2.07 -0.27 -0.35 116.25 119.83 3dgq h VAL 89 Ca 0.19 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3dgq h VAL 89 Cb 0.31 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3dgq h VAL 89 CO -0.00 0.02 0.40 0.44 0.02 0.00 0.00 177.57 178.45 3dgq h ASP 90 N 0.11 0.67 -0.83 0.57 3.32 -0.83 0.38 116.42 119.80 3dgq h ASP 90 Ca 0.19 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3dgq h ASP 90 Cb 0.27 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3dgq h ASP 90 CO -0.32 0.47 0.52 -0.03 -1.72 0.00 0.00 179.24 178.16 3dgq h MET 91 N 0.80 1.12 -0.27 3.56 4.05 -0.27 0.13 114.93 124.05 3dgq h MET 91 Ca 0.26 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.52 3dgq h MET 91 Cb -0.00 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 3dgq h MET 91 CO -0.10 0.77 -0.08 0.28 0.23 0.00 0.00 176.91 178.01 3dgq h VAL 92 N 1.14 1.29 -0.49 -5.77 2.07 -0.70 -2.55 116.25 111.23 3dgq h VAL 92 Ca 0.30 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3dgq h VAL 92 Cb -0.08 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3dgq h VAL 92 CO -0.06 0.35 -0.04 -1.13 0.02 0.00 0.00 177.57 176.71 3dgq h ASN 93 N 0.27 0.83 -0.22 0.57 -1.24 -0.34 0.74 115.58 116.18 3dgq h ASN 93 Ca 0.06 -0.23 -0.09 0.00 0.71 0.00 0.00 56.30 56.76 3dgq h ASN 93 Cb 0.57 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 3dgq h ASN 93 CO 0.03 0.92 -0.16 0.44 -1.29 0.00 0.00 177.43 177.37 3dgq h ASP 94 N 0.78 0.63 -0.43 1.15 3.32 -0.79 0.39 116.42 121.48 3dgq h ASP 94 Ca 0.14 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3dgq h ASP 94 Cb 0.53 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3dgq h ASP 94 CO 0.03 0.81 -0.16 1.23 -1.72 0.00 0.00 179.24 179.43 3dgq h GLY 95 N 0.98 0.99 0.98 2.75 0.00 -0.83 -0.93 103.07 107.01 3dgq h GLY 95 Ca 0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 3dgq h GLY 95 CO 0.04 0.75 0.25 -2.08 0.00 0.00 0.00 176.54 175.50 3dgq h VAL 96 N 0.81 1.14 -0.68 4.60 2.07 -0.48 -2.36 116.25 121.35 3dgq h VAL 96 Ca 0.12 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3dgq h VAL 96 Cb 0.70 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3dgq h VAL 96 CO 0.05 0.14 0.31 -0.08 0.02 0.00 0.00 177.57 178.01 3dgq h GLU 97 N 0.55 0.99 -0.24 1.57 4.57 -0.72 0.23 114.58 121.54 3dgq h GLU 97 Ca 0.15 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3dgq h GLU 97 Cb 0.01 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3dgq h GLU 97 CO -0.03 0.80 0.07 -0.44 -1.18 0.00 0.00 179.01 178.23 3dgq h ASP 98 N 0.95 0.06 -0.21 1.04 3.32 -0.88 0.15 116.42 120.85 3dgq h ASP 98 Ca 0.23 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 3dgq h ASP 98 Cb 0.15 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3dgq h ASP 98 CO -0.03 0.07 -0.30 0.25 -1.72 0.00 0.00 179.24 177.51 3dgq h LEU 99 N 0.17 0.73 -0.74 1.55 5.85 -1.00 -2.59 115.31 119.29 3dgq h LEU 99 Ca 0.11 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3dgq h LEU 99 Cb 0.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3dgq h LEU 99 CO -0.12 0.98 0.44 -0.09 -0.34 0.00 0.00 178.44 179.31 3dgq h ARG 100 N 0.61 0.79 -0.09 1.25 2.43 -0.04 -0.12 114.38 119.21 3dgq h ARG 100 Ca 0.07 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3dgq h ARG 100 Cb 0.81 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 3dgq h ARG 100 CO 0.07 0.52 -0.28 0.00 -1.51 0.00 0.00 179.97 178.77 3dgq h LYS 102 N -0.37 0.72 -0.21 0.00 1.57 -1.01 0.85 116.57 118.12 3dgq h LYS 102 Ca 0.09 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3dgq h LYS 102 Cb 0.50 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3dgq h LYS 102 CO -0.30 0.48 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.01 3dgq h TYR 103 N 0.74 -0.31 -0.46 -1.35 3.20 -0.57 -0.64 116.97 117.59 3dgq h TYR 103 Ca 0.29 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 3dgq h TYR 103 Cb 0.12 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3dgq h TYR 103 CO -0.06 -0.19 0.22 0.82 -1.64 0.00 0.00 178.16 177.31 3dgq h ILE 104 N -0.11 1.18 -0.55 1.81 2.04 0.26 -0.38 117.51 121.76 3dgq h ILE 104 Ca 0.12 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3dgq h ILE 104 Cb 0.29 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3dgq h ILE 104 CO -0.28 0.20 0.35 -1.28 0.00 0.00 0.00 178.15 177.14 3dgq h SER 105 N 0.60 0.59 0.09 1.72 0.87 -0.64 -1.07 113.55 115.72 3dgq h SER 105 Ca 0.16 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3dgq h SER 105 Cb 0.12 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3dgq h SER 105 CO -0.02 0.42 -0.13 0.25 -0.53 0.00 0.00 176.83 176.82 3dgq h LEU 106 N 0.71 -0.35 -0.38 2.23 5.85 -0.65 -0.73 115.31 121.98 3dgq h LEU 106 Ca 0.21 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3dgq h LEU 106 Cb -0.04 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3dgq h LEU 106 CO -0.07 -0.19 0.22 0.40 -0.34 0.00 0.00 178.44 178.46 3dgq h ILE 107 N -0.26 1.14 0.00 4.05 1.08 -0.70 0.55 117.51 123.37 3dgq h ILE 107 Ca 0.02 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3dgq h ILE 107 Cb 0.27 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3dgq h ILE 107 CO -0.06 0.14 -1.65 -1.22 -0.69 0.00 0.00 178.15 174.67 3dgq n TYR 108 N -4.76 0.40 0.00 1.37 4.01 -0.44 -4.49 117.16 113.26 3dgq n TYR 108 Ca -0.00 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3dgq n TYR 108 Cb 0.07 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 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 -2.38 -0.72 -2.24 -0.29 -4.93 114.28 101.24 3dgq n THR 109 Ca -0.05 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 3dgq n THR 109 Cb 0.62 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.25 -0.29 0.09 3.42 5.15 -0.88 -4.99 115.26 116.51 3dgq n ASN 110 Ca 0.00 -2.05 -0.13 0.00 -0.60 0.00 0.00 54.58 51.80 3dgq n ASN 110 Cb 0.00 0.14 -0.08 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.80 -0.16 0.56 1.20 3.20 -1.13 0.28 116.97 121.71 3dgq h TYR 111 Ca -0.41 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 3dgq h TYR 111 Cb 1.49 0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.82 3dgq h TYR 111 CO 0.01 0.01 -0.27 0.93 -1.64 0.00 0.00 178.16 177.21 3dgq h GLU 112 N -0.31 -0.72 0.00 1.82 3.07 -1.94 -2.76 114.58 113.74 3dgq h GLU 112 Ca -0.02 0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 3dgq h GLU 112 Cb 0.25 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3dgq h GLU 112 CO 0.03 -0.47 -0.81 0.00 -1.40 0.00 0.00 179.01 176.35 3dgq h ALA 113 N -0.32 0.65 0.00 3.43 0.00 -1.97 -3.37 119.26 117.69 3dgq h ALA 113 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3dgq h ALA 113 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dgq h ALA 113 CO 0.13 1.01 -1.21 0.41 0.00 0.00 0.00 179.25 179.58 3dgq n GLY 114 N 0.81 -1.08 0.27 0.00 0.00 0.98 -4.57 105.19 101.59 3dgq n GLY 114 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 0.88 -0.06 1.61 3.64 -1.61 -1.67 116.57 119.37 3dgq h LYS 115 Ca 0.00 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3dgq h LYS 115 Cb 0.69 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3dgq h LYS 115 CO 0.00 0.60 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.28 3dgq h ASP 116 N 0.90 -0.19 -0.74 4.20 3.32 -1.86 -1.01 116.42 121.04 3dgq h ASP 116 Ca 0.24 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.34 3dgq h ASP 116 Cb -0.08 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 3dgq h ASP 116 CO -0.05 -0.09 0.48 0.44 -1.72 0.00 0.00 179.24 178.31 3dgq h ASP 117 N -0.08 0.83 -0.02 6.45 3.32 -1.79 -1.81 116.42 123.31 3dgq h ASP 117 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dgq h ASP 117 Cb 0.14 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3dgq h ASP 117 CO -0.11 0.59 0.02 0.22 -1.72 0.00 0.00 179.24 178.24 3dgq h TYR 118 N 0.98 0.03 -0.55 4.55 5.03 -0.95 -1.11 116.97 124.95 3dgq h TYR 118 Ca 0.28 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.52 3dgq h TYR 118 Cb -0.08 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3dgq h TYR 118 CO -0.03 0.02 0.06 0.28 -1.32 0.00 0.00 178.16 177.18 3dgq h VAL 119 N 0.03 1.25 -0.89 1.81 2.07 -1.04 0.10 116.25 119.57 3dgq h VAL 119 Ca 0.01 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3dgq h VAL 119 Cb -0.00 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3dgq h VAL 119 CO -0.00 0.36 0.59 0.50 0.02 0.00 0.00 177.57 179.03 3dgq h LYS 120 N 0.85 1.08 0.00 1.57 3.64 -1.11 -2.78 116.57 119.82 3dgq h LYS 120 Ca 0.17 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3dgq h LYS 120 Cb 0.41 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3dgq h LYS 120 CO 0.01 0.72 -0.39 0.00 -2.27 0.00 0.00 179.45 177.52 3dgq h ALA 121 N 1.48 0.81 -0.65 5.00 0.00 -0.41 -3.39 119.26 122.10 3dgq h ALA 121 Ca 0.36 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3dgq h ALA 121 Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 3dgq h ALA 121 CO -0.11 0.19 0.12 1.25 0.00 0.00 0.00 179.25 180.70 3dgq h LEU 122 N 0.00 -0.05 -0.71 0.00 5.85 -0.71 -2.64 115.31 117.05 3dgq h LEU 122 Ca -0.01 0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3dgq h LEU 122 Cb 1.12 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 3dgq h LEU 122 CO 0.02 -0.03 0.34 -0.65 -0.34 0.00 0.00 178.44 177.78 3dgq h PRO 123 N 0.23 0.55 0.00 5.25 0.11 -1.76 -0.05 132.00 136.33 3dgq h PRO 123 Ca 0.35 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 3dgq h PRO 123 Cb 0.56 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3dgq h PRO 123 CO -0.47 0.37 -0.13 0.78 -0.21 0.00 0.00 178.00 178.34 3dgq h GLY 124 N 0.57 0.00 2.00 -0.55 0.00 -1.78 -0.54 103.07 102.77 3dgq h GLY 124 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 3dgq h GLY 124 CO -0.29 0.00 -0.65 1.46 0.00 0.00 0.00 176.54 177.06 3dgq h GLN 125 N 0.00 0.00 0.02 4.80 1.08 -0.94 -3.36 115.11 116.72 3dgq h GLN 125 Ca -0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 3dgq h GLN 125 Cb 0.40 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.78 3dgq h GLN 125 CO 0.02 0.65 -1.79 1.28 -0.95 0.00 0.00 178.83 178.03 3dgq n LEU 126 N -3.30 1.12 -0.33 1.46 4.77 -0.48 -4.41 117.00 115.84 3dgq n LEU 126 Ca 0.01 0.36 0.16 0.00 -0.03 0.00 0.00 56.01 56.51 3dgq n LEU 126 Cb 0.78 -0.02 0.36 0.00 -2.33 0.00 0.00 43.42 42.20 3dgq n LEU 126 CO 0.42 0.47 1.11 0.50 -1.33 0.00 0.00 177.39 178.56 3dgq h LYS 127 N 0.01 0.47 -0.65 3.23 3.64 -1.26 -0.37 116.57 121.64 3dgq h LYS 127 Ca -0.32 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.12 3dgq h LYS 127 Cb 2.03 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.70 3dgq h LYS 127 CO 0.08 0.31 0.43 -1.35 -2.27 0.00 0.00 179.45 176.65 3dgq h PRO 128 N 0.48 0.52 -0.12 1.90 0.11 -1.77 -0.59 132.00 132.53 3dgq h PRO 128 Ca 0.61 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.50 3dgq h PRO 128 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dgq h PRO 128 CO -0.51 0.35 -0.72 0.74 -0.21 0.00 0.00 178.00 177.65 3dgq h PHE 129 N 0.54 0.74 -0.65 0.65 0.04 -1.35 -0.60 116.94 116.31 3dgq h PHE 129 Ca 0.29 -0.32 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3dgq h PHE 129 Cb 0.45 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3dgq h PHE 129 CO -0.00 1.10 0.41 1.49 -0.60 0.00 0.00 178.31 180.71 3dgq h GLU 130 N 0.39 0.80 -0.38 1.51 4.57 -1.30 -0.57 114.58 119.60 3dgq h GLU 130 Ca -0.03 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3dgq h GLU 130 Cb 1.31 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3dgq h GLU 130 CO 0.13 0.53 0.10 1.15 -1.18 0.00 0.00 179.01 179.74 3dgq h THR 131 N 0.82 1.22 -0.60 0.32 2.02 -0.84 0.63 112.91 116.48 3dgq h THR 131 Ca 0.25 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3dgq h THR 131 Cb -0.02 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3dgq h THR 131 CO -0.09 0.26 0.37 -0.07 0.37 0.00 0.00 175.52 176.36 3dgq h LEU 132 N 0.47 0.60 -0.54 2.58 3.38 -0.94 -1.88 115.31 118.98 3dgq h LEU 132 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dgq h LEU 132 Cb 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dgq h LEU 132 CO 0.00 0.42 0.33 -0.07 0.09 0.00 0.00 178.44 179.21 3dgq h LEU 133 N 0.72 0.64 -2.51 1.67 3.38 -0.26 -2.10 115.31 116.86 3dgq h LEU 133 Ca 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dgq h LEU 133 Cb 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dgq h LEU 133 CO -0.10 0.51 -0.00 0.77 0.09 0.00 0.00 178.44 179.70 3dgq h SER 134 N 0.73 0.00 -0.29 -0.43 4.64 -0.13 0.45 113.55 118.51 3dgq h SER 134 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3dgq h SER 134 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3dgq h SER 134 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3dgq n GLN 135 N -3.75 2.36 -3.87 4.77 6.02 -0.81 -4.17 117.38 117.93 3dgq n GLN 135 Ca -0.03 -2.04 -0.30 0.00 -0.01 0.00 0.00 57.00 54.62 3dgq n GLN 135 Cb 0.09 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 29.71 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 -1.59 4.38 -1.54 1.08 2.47 -0.34 -4.84 114.94 114.56 3dgq s ASN 136 Ca 0.36 -1.91 -0.14 0.00 0.42 0.00 0.00 52.86 51.60 3dgq s ASN 136 Cb 0.22 -1.23 0.10 0.00 -1.45 0.00 0.00 41.25 38.88 3dgq s ASN 136 CO 0.31 -0.40 0.88 0.00 -3.72 0.00 0.00 177.10 174.17 3dgq n GLN 137 N 4.54 -4.82 -2.12 0.43 1.13 -1.26 -0.74 117.38 114.54 3dgq n GLN 137 Ca 0.01 0.55 -0.17 0.00 -1.94 0.00 0.00 57.00 55.45 3dgq n GLN 137 Cb 0.42 -5.40 -0.03 0.00 0.11 0.00 0.00 30.24 25.34 3dgq n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dgq n GLY 138 N -1.57 0.20 2.26 1.08 0.00 -1.26 -1.65 105.19 104.24 3dgq n GLY 138 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.72 0.88 0.24 -0.02 0.00 0.08 -4.80 105.19 100.85 3dgq n GLY 139 Ca -0.19 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.55 0.73 0.00 1.61 5.02 -0.66 -4.78 118.16 117.53 3dgq n LYS 140 Ca -0.07 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 3dgq n LYS 140 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3dgq n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dgq n THR 141 N -0.72 0.00 -4.52 -0.18 -2.24 -1.26 -5.12 114.28 100.25 3dgq n THR 141 Ca 0.10 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.62 3dgq n THR 141 Cb 0.37 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 3dgq n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dgq s PHE 142 N 1.03 1.79 0.27 4.78 0.08 -1.25 -5.02 117.98 119.66 3dgq s PHE 142 Ca 0.00 -1.29 0.04 0.00 0.12 0.00 0.00 56.93 55.80 3dgq s PHE 142 Cb 0.00 -1.16 0.37 0.00 -0.57 0.00 0.00 43.02 41.65 3dgq s PHE 142 CO 0.00 -0.30 1.66 0.97 -0.10 0.00 0.00 175.22 177.45 3dgq h ILE 143 N 1.77 1.31 -3.37 0.64 6.09 -1.96 -3.42 117.51 118.57 3dgq h ILE 143 Ca -0.35 -1.57 -0.49 0.00 -1.37 0.00 0.00 64.86 61.08 3dgq h ILE 143 Cb 1.27 1.67 -0.34 0.00 0.47 0.00 0.00 36.82 39.89 3dgq h ILE 143 CO 0.57 0.48 -0.80 -0.69 -3.07 0.00 0.00 178.15 174.63 3dgq s VAL 144 N -4.14 0.92 0.00 2.19 1.01 -1.26 -4.74 120.40 114.37 3dgq s VAL 144 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3dgq s VAL 144 Cb 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3dgq s VAL 144 CO 0.79 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.82 3dgq n GLY 145 N 4.16 0.26 0.91 4.51 0.00 -1.26 -4.20 105.19 109.57 3dgq n GLY 145 Ca -0.21 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 44.97 3dgq n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dgq n ASP 146 N -2.00 3.08 -4.14 1.61 8.00 -1.26 -3.82 116.55 118.02 3dgq n ASP 146 Ca 0.00 -1.89 -0.14 0.00 0.71 0.00 0.00 54.79 53.46 3dgq n ASP 146 Cb 0.00 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 3dgq n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dgq s GLN 147 N -1.24 0.76 0.55 -1.24 -0.21 -1.26 -4.89 119.66 112.13 3dgq s GLN 147 Ca 0.31 -1.04 -0.20 0.00 0.02 0.00 0.00 55.36 54.45 3dgq s GLN 147 Cb 0.18 -0.49 -0.05 0.00 1.00 0.00 0.00 33.01 33.65 3dgq s GLN 147 CO 0.25 0.08 1.17 -1.50 -2.12 0.00 0.00 175.29 173.17 3dgq s ILE 148 N -2.09 2.93 0.22 1.08 2.07 -1.26 -4.78 121.20 119.37 3dgq s ILE 148 Ca 0.01 0.60 0.01 0.00 -1.41 0.00 0.00 60.65 59.86 3dgq s ILE 148 Cb -0.05 -3.25 -0.05 0.00 0.13 0.00 0.00 42.46 39.24 3dgq s ILE 148 CO 0.00 -0.11 0.07 -0.94 -1.91 0.00 0.00 174.94 172.05 3dgq s SER 149 N -1.62 1.08 0.56 4.50 1.04 -1.26 -4.56 113.70 113.44 3dgq s SER 149 Ca 0.73 -1.31 0.24 0.00 0.48 0.00 0.00 55.95 56.10 3dgq s SER 149 Cb -0.27 0.17 1.59 0.00 0.10 0.00 0.00 66.02 67.61 3dgq s SER 149 CO 0.31 -0.68 2.20 2.19 0.98 0.00 0.00 173.24 178.23 3dgq h PHE 150 N 2.53 0.00 0.00 5.02 -5.15 -1.21 -0.05 116.94 118.08 3dgq h PHE 150 Ca -0.37 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.33 3dgq h PHE 150 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 3dgq h PHE 150 CO 0.47 0.00 -0.31 0.00 -2.00 0.00 0.00 178.31 176.47 3dgq h ALA 151 N 1.97 1.47 -0.34 12.09 0.00 -1.87 -1.94 119.26 130.64 3dgq h ALA 151 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3dgq h ALA 151 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dgq h ALA 151 CO -0.00 0.39 0.18 -0.44 0.00 0.00 0.00 179.25 179.38 3dgq h ASP 152 N 0.00 0.43 -0.59 0.00 3.32 -1.39 0.26 116.42 118.45 3dgq h ASP 152 Ca -0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3dgq h ASP 152 Cb 0.56 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3dgq h ASP 152 CO 0.04 0.40 0.29 1.88 -1.72 0.00 0.00 179.24 180.13 3dgq h TYR 153 N 0.43 0.85 -0.18 4.55 0.05 -1.48 0.22 116.97 121.42 3dgq h TYR 153 Ca 0.12 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3dgq h TYR 153 Cb 0.07 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3dgq h TYR 153 CO -0.03 0.65 -0.00 -0.97 -1.05 0.00 0.00 178.16 176.76 3dgq h ASN 154 N 0.81 0.31 -0.46 3.88 -1.24 -1.17 -1.16 115.58 116.53 3dgq h ASN 154 Ca 0.20 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.92 3dgq h ASN 154 Cb 0.12 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3dgq h ASN 154 CO -0.03 0.54 0.28 0.25 -1.29 0.00 0.00 177.43 177.19 3dgq h LEU 155 N 0.06 0.46 -0.20 0.34 5.85 -0.28 -1.47 115.31 120.07 3dgq h LEU 155 Ca 0.05 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3dgq h LEU 155 Cb 0.39 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3dgq h LEU 155 CO 0.01 0.33 -0.07 0.25 -0.34 0.00 0.00 178.44 178.62 3dgq h LEU 156 N 0.57 -0.23 -0.38 2.25 5.85 -0.38 0.67 115.31 123.64 3dgq h LEU 156 Ca 0.18 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3dgq h LEU 156 Cb -0.00 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3dgq h LEU 156 CO -0.08 -0.09 0.07 -0.78 -0.34 0.00 0.00 178.44 177.23 3dgq h ASP 157 N -0.03 0.00 -0.73 1.25 3.58 -0.92 0.42 116.42 119.99 3dgq h ASP 157 Ca 0.10 0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.74 3dgq h ASP 157 Cb 0.18 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 3dgq h ASP 157 CO -0.22 0.04 0.32 0.25 -2.88 0.00 0.00 179.24 176.75 3dgq h LEU 158 N 0.20 0.36 -0.23 2.28 5.85 -0.41 -0.78 115.31 122.57 3dgq h LEU 158 Ca 0.18 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 3dgq h LEU 158 Cb 0.22 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3dgq h LEU 158 CO -0.25 0.17 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.48 3dgq h LEU 159 N 0.51 0.81 -0.22 2.25 3.38 -0.03 -2.10 115.31 119.91 3dgq h LEU 159 Ca 0.39 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3dgq h LEU 159 Cb 0.52 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3dgq h LEU 159 CO -0.35 1.21 -0.03 -0.07 0.09 0.00 0.00 178.44 179.30 3dgq h LEU 160 N 0.44 -0.16 -0.97 1.67 3.38 -0.37 -0.05 115.31 119.25 3dgq h LEU 160 Ca 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3dgq h LEU 160 Cb 1.09 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3dgq h LEU 160 CO 0.11 -0.05 -0.50 0.16 0.09 0.00 0.00 178.44 178.25 3dgq h ILE 161 N 0.03 1.36 -0.07 1.22 3.07 -1.13 -2.12 117.51 119.86 3dgq h ILE 161 Ca 0.11 -1.71 -0.10 0.00 1.55 0.00 0.00 64.86 64.71 3dgq h ILE 161 Cb 0.15 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3dgq h ILE 161 CO -0.21 0.49 -0.43 0.45 -1.05 0.00 0.00 178.15 177.41 3dgq h HIS 162 N 0.03 0.17 -0.05 0.16 3.86 -0.93 -1.30 115.15 117.10 3dgq h HIS 162 Ca -0.00 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3dgq h HIS 162 Cb 0.89 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 3dgq h HIS 162 CO 0.00 0.55 -0.29 0.93 0.86 0.00 0.00 177.93 179.99 3dgq h GLU 163 N 0.12 0.08 -0.13 2.45 5.08 -0.34 0.70 114.58 122.55 3dgq h GLU 163 Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3dgq h GLU 163 Cb 0.81 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3dgq h GLU 163 CO 0.06 0.37 -0.27 0.28 -1.00 0.00 0.00 179.01 178.45 3dgq h VAL 164 N 0.07 1.37 -0.49 3.13 2.07 -1.23 -2.39 116.25 118.78 3dgq h VAL 164 Ca 0.01 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3dgq h VAL 164 Cb 0.56 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3dgq h VAL 164 CO 0.04 0.45 0.24 0.25 0.02 0.00 0.00 177.57 178.58 3dgq h LEU 165 N 0.01 0.64 -6.20 2.57 5.85 -0.95 -3.38 115.31 113.85 3dgq h LEU 165 Ca 0.00 -0.12 -0.58 0.00 0.84 0.00 0.00 57.88 58.02 3dgq h LEU 165 Cb 0.86 -0.17 -0.38 0.00 0.37 0.00 0.00 40.66 41.34 3dgq h LEU 165 CO 0.06 0.59 -1.04 0.00 -0.34 0.00 0.00 178.44 177.71 3dgq n ALA 166 N -2.30 2.67 -1.63 1.25 0.00 0.21 -5.10 120.51 115.61 3dgq n ALA 166 Ca 0.02 -3.24 -0.47 0.00 0.00 0.00 0.00 53.44 49.76 3dgq n ALA 166 Cb 0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 2.21 1.64 -0.22 0.00 -0.02 -0.90 -1.35 135.00 136.36 3dgq n PRO 167 Ca 0.26 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dgq n PRO 167 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.12 0.68 0.27 -1.23 0.00 -1.26 -4.96 105.19 100.80 3dgq n GLY 168 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.82 2.45 0.08 0.00 4.77 -1.26 -4.52 117.00 115.69 3dgq n LEU 170 Ca -0.01 -0.82 0.04 0.00 -0.03 0.00 0.00 56.01 55.19 3dgq n LEU 170 Cb 0.13 -0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 3dgq n LEU 170 CO 0.19 0.41 1.06 0.44 -1.33 0.00 0.00 177.39 178.17 3dgq h ASP 171 N 3.75 0.32 0.78 -1.43 3.32 -1.38 0.13 116.42 121.91 3dgq h ASP 171 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dgq h ASP 171 Cb 0.83 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3dgq h ASP 171 CO 0.00 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 3dgq n ALA 172 N -2.49 2.35 -3.94 3.45 0.00 -1.26 -4.59 120.51 114.02 3dgq n ALA 172 Ca 0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 3dgq n ALA 172 Cb 0.13 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.82 3.21 0.28 0.00 0.08 0.03 -4.97 117.98 113.80 3dgq s PHE 173 Ca 0.20 -3.19 -0.01 0.00 0.12 0.00 0.00 56.93 54.04 3dgq s PHE 173 Cb 0.19 -2.80 0.41 0.00 -0.57 0.00 0.00 43.02 40.25 3dgq s PHE 173 CO 0.48 -0.72 1.85 -1.00 -0.10 0.00 0.00 175.22 175.73 3dgq h PRO 174 N 6.36 0.87 -0.20 0.24 0.13 -1.81 -0.98 132.00 136.60 3dgq h PRO 174 Ca -0.05 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3dgq h PRO 174 Cb 0.87 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3dgq h PRO 174 CO 0.69 0.74 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.75 3dgq h LEU 175 N 0.85 0.69 -0.73 1.56 3.38 -1.93 -1.49 115.31 117.64 3dgq h LEU 175 Ca 0.19 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3dgq h LEU 175 Cb 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3dgq h LEU 175 CO -0.01 1.10 0.43 -0.07 0.09 0.00 0.00 178.44 179.98 3dgq h LEU 176 N 0.30 0.88 -0.04 1.67 3.38 -1.90 0.32 115.31 119.93 3dgq h LEU 176 Ca 0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dgq h LEU 176 Cb 0.98 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3dgq h LEU 176 CO 0.09 0.69 -0.03 0.28 0.09 0.00 0.00 178.44 179.56 3dgq h SER 177 N 1.00 -0.09 -0.25 -0.43 0.02 -1.00 -0.75 113.55 112.04 3dgq h SER 177 Ca 0.26 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.14 3dgq h SER 177 Cb -0.02 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3dgq h SER 177 CO -0.05 -0.04 -0.16 0.00 -1.14 0.00 0.00 176.83 175.44 3dgq h ALA 178 N 1.00 1.03 -0.27 3.77 0.00 -1.03 -1.91 119.26 121.86 3dgq h ALA 178 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3dgq h ALA 178 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dgq h ALA 178 CO -0.06 0.58 0.07 -0.92 0.00 0.00 0.00 179.25 178.92 3dgq h TYR 179 N 0.61 0.45 -0.22 0.00 3.20 -0.58 0.71 116.97 121.15 3dgq h TYR 179 Ca 0.10 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3dgq h TYR 179 Cb 0.61 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3dgq h TYR 179 CO 0.03 0.50 -0.02 0.28 -1.64 0.00 0.00 178.16 177.31 3dgq h VAL 180 N 0.27 0.82 -0.58 1.81 2.07 -0.90 0.11 116.25 119.85 3dgq h VAL 180 Ca 0.08 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3dgq h VAL 180 Cb 0.27 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3dgq h VAL 180 CO 0.00 0.01 0.34 1.23 0.02 0.00 0.00 177.57 179.17 3dgq h GLY 181 N 0.04 0.85 0.71 2.17 0.00 -1.08 -1.04 103.07 104.73 3dgq h GLY 181 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3dgq h GLY 181 CO -0.19 0.35 -0.16 -0.09 0.00 0.00 0.00 176.54 176.45 3dgq h ARG 182 N 0.79 -0.43 -0.77 4.80 2.43 -0.50 -1.99 114.38 118.70 3dgq h ARG 182 Ca 0.21 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3dgq h ARG 182 Cb 0.00 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3dgq h ARG 182 CO -0.04 -0.13 0.50 -0.07 -1.51 0.00 0.00 179.97 178.72 3dgq h LEU 183 N -0.74 0.83 -2.11 3.80 4.07 -1.00 -2.52 115.31 117.64 3dgq h LEU 183 Ca -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 3dgq h LEU 183 Cb 0.50 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3dgq h LEU 183 CO 0.08 0.58 -0.05 0.28 -1.08 0.00 0.00 178.44 178.24 3dgq h SER 184 N 0.97 0.00 0.73 -0.43 0.02 -1.06 -1.65 113.55 112.14 3dgq h SER 184 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3dgq h SER 184 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3dgq h SER 184 CO -0.10 0.05 -0.26 0.00 -1.14 0.00 0.00 176.83 175.38 3dgq n ALA 185 N -2.17 2.97 -1.68 3.77 0.00 -0.76 -3.43 120.51 119.21 3dgq n ALA 185 Ca -0.02 -0.23 -0.46 0.00 0.00 0.00 0.00 53.44 52.73 3dgq n ALA 185 Cb 0.21 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.49 2.26 -0.13 0.00 1.74 -0.62 -4.69 116.66 113.73 3dgq n ARG 186 Ca 0.06 0.82 -0.05 0.00 -0.77 0.00 0.00 57.85 57.92 3dgq n ARG 186 Cb 0.34 -2.64 0.01 0.00 -1.02 0.00 0.00 32.46 29.15 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 7.63 -0.12 -0.63 5.56 0.11 -1.90 0.40 132.00 143.05 3dgq h PRO 187 Ca -0.47 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3dgq h PRO 187 Cb 1.26 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3dgq h PRO 187 CO 0.92 -0.08 0.15 0.87 -0.21 0.00 0.00 178.00 179.65 3dgq h LYS 188 N -0.13 1.01 -0.40 1.05 1.57 -1.89 -0.99 116.57 116.81 3dgq h LYS 188 Ca 0.21 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3dgq h LYS 188 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3dgq h LYS 188 CO -0.52 0.92 0.12 1.25 -0.57 0.00 0.00 179.45 180.66 3dgq h LEU 189 N 0.93 0.58 -0.44 2.94 5.85 -1.55 -1.27 115.31 122.36 3dgq h LEU 189 Ca 0.20 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3dgq h LEU 189 Cb 0.37 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3dgq h LEU 189 CO 0.00 0.64 0.19 0.50 -0.34 0.00 0.00 178.44 179.43 3dgq h LYS 190 N 0.50 0.37 -0.43 1.25 3.64 0.01 0.16 116.57 122.07 3dgq h LYS 190 Ca 0.13 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3dgq h LYS 190 Cb 0.27 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3dgq h LYS 190 CO -0.00 0.24 0.26 0.00 -2.27 0.00 0.00 179.45 177.68 3dgq h ALA 191 N 1.26 0.55 -0.25 5.00 0.00 -1.07 -1.49 119.26 123.26 3dgq h ALA 191 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dgq h ALA 191 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dgq h ALA 191 CO -0.17 -0.06 0.05 0.35 0.00 0.00 0.00 179.25 179.42 3dgq h PHE 192 N 0.52 0.43 0.00 0.00 3.57 -0.53 -1.87 116.94 119.06 3dgq h PHE 192 Ca 0.17 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3dgq h PHE 192 Cb 0.00 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3dgq h PHE 192 CO -0.07 0.50 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.43 3dgq h LEU 193 N 0.23 0.00 0.00 0.59 3.38 -0.40 -1.54 115.31 117.57 3dgq h LEU 193 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dgq h LEU 193 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dgq h LEU 193 CO 0.00 0.02 -0.39 0.00 0.09 0.00 0.00 178.44 178.16 3dgq h ALA 194 N 1.98 0.77 -2.35 1.53 0.00 -0.88 -3.39 119.26 116.91 3dgq h ALA 194 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3dgq h ALA 194 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dgq h ALA 194 CO 0.00 0.00 0.39 -1.54 0.00 0.00 0.00 179.25 178.10 3dgq s SER 195 N -4.90 6.41 0.51 0.00 1.04 -0.58 -4.79 113.70 111.39 3dgq s SER 195 Ca 0.06 1.94 0.15 0.00 0.48 0.00 0.00 55.95 58.59 3dgq s SER 195 Cb 0.11 -2.56 1.23 0.00 0.10 0.00 0.00 66.02 64.89 3dgq s SER 195 CO 0.69 -0.73 2.14 1.55 0.98 0.00 0.00 173.24 177.86 3dgq h PRO 196 N 1.71 0.06 -1.06 4.02 0.13 -1.92 0.13 132.00 135.08 3dgq h PRO 196 Ca -0.49 -0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.92 3dgq h PRO 196 Cb 1.22 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3dgq h PRO 196 CO 0.60 0.04 0.66 1.49 -0.23 0.00 0.00 178.00 180.55 3dgq h GLU 197 N 0.06 0.38 0.00 0.86 4.81 -1.92 -0.02 114.58 118.75 3dgq h GLU 197 Ca 0.02 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3dgq h GLU 197 Cb 0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3dgq h GLU 197 CO -0.00 0.25 -0.99 0.98 -0.73 0.00 0.00 179.01 178.52 3dgq n TYR 198 N -4.77 0.71 -0.33 0.92 9.36 -0.77 -4.46 117.16 117.82 3dgq n TYR 198 Ca 0.28 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.81 3dgq n TYR 198 Cb 0.93 -0.84 0.17 0.00 -0.63 0.00 0.00 39.34 38.98 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 1.19 -0.08 2.97 2.07 -0.66 -2.65 116.25 118.08 3dgq h VAL 199 Ca -0.16 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3dgq h VAL 199 Cb 0.90 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3dgq h VAL 199 CO -0.10 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.30 3dgq n ASN 200 N -4.43 0.87 -4.82 0.57 3.02 -0.03 -4.75 115.26 105.68 3dgq n ASN 200 Ca 0.12 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.73 3dgq n ASN 200 Cb 0.07 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.58 4.45 0.61 3.41 1.43 -1.00 -5.06 118.68 120.93 3dgq s LEU 201 Ca 0.30 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 3dgq s LEU 201 Cb 0.15 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3dgq s LEU 201 CO 0.24 0.29 1.07 -2.16 0.23 0.00 0.00 176.35 176.02 3dgq s PRO 202 N -0.86 3.17 0.16 1.29 0.04 -1.26 -4.73 135.00 132.81 3dgq s PRO 202 Ca 0.24 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 3dgq s PRO 202 Cb -0.16 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3dgq s PRO 202 CO 0.13 -0.94 1.79 0.82 0.04 0.00 0.00 177.00 178.84 3dgq h ILE 203 N 0.33 1.15 -2.13 0.56 2.04 -1.95 -0.53 117.51 116.99 3dgq h ILE 203 Ca -0.47 -0.34 -0.56 0.00 1.00 0.00 0.00 64.86 64.49 3dgq h ILE 203 Cb 1.23 0.51 -0.13 0.00 -0.74 0.00 0.00 36.82 37.69 3dgq h ILE 203 CO 0.56 0.15 -0.57 0.20 0.00 0.00 0.00 178.15 178.50 3dgq s ASN 204 N -5.71 3.08 0.00 1.72 -0.87 -1.26 -0.35 114.94 111.55 3dgq s ASN 204 Ca -0.13 -1.49 0.26 0.00 -1.57 0.00 0.00 52.86 49.93 3dgq s ASN 204 Cb 0.11 0.08 0.69 0.00 -0.02 0.00 0.00 41.25 42.11 3dgq s ASN 204 CO 0.74 -0.69 1.53 0.61 -2.57 0.00 0.00 177.10 176.73 3dgq n GLY 205 N -0.89 0.00 0.04 0.66 0.00 -1.26 -4.24 105.19 99.50 3dgq n GLY 205 Ca -0.06 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 0.12 2.12 0.00 1.61 6.94 -1.26 -4.99 115.26 119.80 3dgq n ASN 206 Ca 0.15 -2.48 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 3dgq n ASN 206 Cb 0.41 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.91 0.99 3.78 4.83 0.00 -1.26 -5.01 105.19 107.61 3dgq n GLY 207 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 3.01 0.00 1.61 1.02 -1.26 -5.07 119.74 119.05 3dgq s LYS 208 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3dgq s LYS 208 Cb 0.00 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3dgq s LYS 208 CO 0.00 0.62 0.00 0.00 -0.92 0.00 0.00 175.35 175.05