#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdd s PHE 12 N 0.00 3.33 -0.28 1.61 0.40 -1.26 -5.07 117.98 116.71 3mdd s PHE 12 Ca 0.00 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 3mdd s PHE 12 Cb 0.00 -2.85 0.09 0.00 0.51 0.00 0.00 43.02 40.77 3mdd s PHE 12 CO 0.00 -0.34 0.76 0.45 0.70 0.00 0.00 175.22 176.79 3mdd s SER 13 N -2.60 -0.81 -0.11 1.36 0.15 -1.26 -5.03 113.70 105.40 3mdd s SER 13 Ca 0.61 1.35 0.14 0.00 0.70 0.00 0.00 55.95 58.76 3mdd s SER 13 Cb -0.10 1.35 0.29 0.00 -1.71 0.00 0.00 66.02 65.84 3mdd s SER 13 CO 0.23 -0.22 1.14 0.49 1.20 0.00 0.00 173.24 176.09 3mdd n PHE 14 N 3.78 0.00 -3.55 3.44 3.01 -1.26 -5.04 117.46 117.85 3mdd n PHE 14 Ca -0.18 -0.90 -0.36 0.00 1.01 0.00 0.00 57.45 57.02 3mdd n PHE 14 Cb 0.58 -0.16 -0.08 0.00 -0.01 0.00 0.00 39.48 39.81 3mdd n PHE 14 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3mdd s GLU 15 N -2.11 4.22 0.48 -1.08 2.56 -1.26 -5.09 118.70 116.42 3mdd s GLU 15 Ca 0.28 0.03 -0.19 0.00 0.00 0.00 0.00 54.97 55.09 3mdd s GLU 15 Cb 0.27 -3.46 -0.09 0.00 2.00 0.00 0.00 34.13 32.85 3mdd s GLU 15 CO -0.03 0.18 0.99 -0.51 -0.56 0.00 0.00 175.26 175.34 3mdd s LEU 16 N 0.66 3.79 0.78 2.70 1.02 -1.26 -5.06 118.68 121.31 3mdd s LEU 16 Ca 0.15 1.74 -0.12 0.00 0.02 0.00 0.00 54.13 55.92 3mdd s LEU 16 Cb -0.13 -4.54 0.06 0.00 0.02 0.00 0.00 46.19 41.60 3mdd s LEU 16 CO 0.04 -0.62 1.13 0.42 0.02 0.00 0.00 176.35 177.34 3mdd s THR 17 N -2.26 2.78 0.36 5.49 -4.23 -1.26 -4.86 115.64 111.67 3mdd s THR 17 Ca 0.63 0.25 0.13 0.00 -1.18 0.00 0.00 61.69 61.53 3mdd s THR 17 Cb -0.12 -3.17 0.10 0.00 1.34 0.00 0.00 72.50 70.65 3mdd s THR 17 CO 0.22 -0.33 1.83 -0.33 -0.54 0.00 0.00 174.62 175.46 3mdd h GLU 18 N -0.97 0.00 -0.22 3.99 5.08 -1.99 -0.12 114.58 120.35 3mdd h GLU 18 Ca -0.46 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.69 3mdd h GLU 18 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3mdd h GLU 18 CO 0.63 0.37 -0.66 0.37 -1.00 0.00 0.00 179.01 178.72 3mdd h GLN 19 N 0.00 0.83 -0.42 2.33 4.15 -2.00 -2.67 115.11 117.33 3mdd h GLN 19 Ca -0.00 -0.60 -0.09 0.00 0.77 0.00 0.00 58.65 58.73 3mdd h GLN 19 Cb 0.66 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3mdd h GLN 19 CO 0.05 1.22 -0.09 1.96 -1.93 0.00 0.00 178.83 180.04 3mdd h GLN 20 N 0.60 0.81 -0.70 1.69 4.20 -1.84 -1.83 115.11 118.04 3mdd h GLN 20 Ca -0.02 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.45 3mdd h GLN 20 Cb 1.28 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 3mdd h GLN 20 CO 0.14 0.92 0.46 0.87 -0.67 0.00 0.00 178.83 180.55 3mdd h LYS 21 N 0.63 0.70 0.12 1.46 1.57 -0.97 -0.83 116.57 119.25 3mdd h LYS 21 Ca 0.11 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.56 3mdd h LYS 21 Cb 0.61 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3mdd h LYS 21 CO 0.04 0.46 -1.38 1.05 -0.57 0.00 0.00 179.45 179.05 3mdd h GLU 22 N 0.72 0.26 -0.70 3.15 4.11 -1.16 -2.12 114.58 118.83 3mdd h GLU 22 Ca 0.30 -0.44 0.06 0.00 0.07 0.00 0.00 59.36 59.35 3mdd h GLU 22 Cb 0.26 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 3mdd h GLU 22 CO -0.10 1.16 0.40 0.74 0.07 0.00 0.00 179.01 181.29 3mdd h PHE 23 N 0.07 0.75 -0.76 2.06 0.04 -0.87 -0.70 116.94 117.52 3mdd h PHE 23 Ca -0.18 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.67 3mdd h PHE 23 Cb 1.99 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 39.85 3mdd h PHE 23 CO 0.06 0.37 0.45 0.37 -0.60 0.00 0.00 178.31 178.96 3mdd h GLN 24 N 0.75 0.79 -0.51 1.51 4.15 -1.20 0.30 115.11 120.91 3mdd h GLN 24 Ca 0.31 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.56 3mdd h GLN 24 Cb 0.17 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3mdd h GLN 24 CO -0.17 0.52 -0.15 0.00 -1.93 0.00 0.00 178.83 177.10 3mdd h ALA 25 N 1.38 0.77 -0.20 3.38 0.00 -1.05 0.06 119.26 123.59 3mdd h ALA 25 Ca 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mdd h ALA 25 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mdd h ALA 25 CO -0.18 0.67 0.06 1.15 0.00 0.00 0.00 179.25 180.94 3mdd h THR 26 N 0.87 1.20 -0.37 0.00 2.02 -0.67 -1.11 112.91 114.86 3mdd h THR 26 Ca 0.13 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 3mdd h THR 26 Cb 0.72 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3mdd h THR 26 CO 0.06 0.20 -0.14 0.00 0.37 0.00 0.00 175.52 176.00 3mdd h ALA 27 N 0.87 1.06 -0.12 6.16 0.00 -0.87 -2.28 119.26 124.08 3mdd h ALA 27 Ca 0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3mdd h ALA 27 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mdd h ALA 27 CO -0.00 0.57 -0.64 -0.09 0.00 0.00 0.00 179.25 179.09 3mdd h ARG 28 N 0.60 0.46 -0.10 0.00 2.43 -0.84 -1.49 114.38 115.43 3mdd h ARG 28 Ca 0.10 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.85 3mdd h ARG 28 Cb 0.59 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3mdd h ARG 28 CO 0.04 0.95 -0.26 -0.22 -1.51 0.00 0.00 179.97 178.97 3mdd h LYS 29 N 0.33 0.36 -0.05 0.20 3.64 -1.11 -2.55 116.57 117.39 3mdd h LYS 29 Ca -0.01 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3mdd h LYS 29 Cb 1.20 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3mdd h LYS 29 CO 0.11 0.86 0.02 0.35 -2.27 0.00 0.00 179.45 178.53 3mdd h PHE 30 N -0.09 0.07 -0.28 1.91 3.57 -1.45 0.39 116.94 121.06 3mdd h PHE 30 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3mdd h PHE 30 Cb 0.88 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3mdd h PHE 30 CO 0.11 0.18 0.10 0.00 -2.23 0.00 0.00 178.31 176.47 3mdd h ALA 31 N 0.88 0.32 0.00 2.41 0.00 -1.34 0.10 119.26 121.63 3mdd h ALA 31 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mdd h ALA 31 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mdd h ALA 31 CO -0.00 -0.31 -0.99 0.54 0.00 0.00 0.00 179.25 178.49 3mdd n ARG 32 N -5.03 0.26 -0.01 0.00 5.12 -0.96 -1.62 116.66 114.41 3mdd n ARG 32 Ca -0.01 -0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.02 3mdd n ARG 32 Cb 0.10 -1.58 -0.17 0.00 -1.16 0.00 0.00 32.46 29.65 3mdd n ARG 32 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3mdd n GLU 33 N -1.92 0.63 0.00 5.56 1.02 0.12 -4.55 120.64 121.51 3mdd n GLU 33 Ca 0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3mdd n GLU 33 Cb 0.43 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3mdd n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mdd n GLU 34 N -2.23 0.00 0.22 3.49 1.02 0.32 -4.77 120.64 118.70 3mdd n GLU 34 Ca -0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 3mdd n GLU 34 Cb 0.55 -0.54 -0.04 0.00 -0.02 0.00 0.00 31.44 31.39 3mdd n GLU 34 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3mdd h ILE 35 N 0.00 0.00 -0.99 -3.67 2.04 -1.21 -3.35 117.51 110.33 3mdd h ILE 35 Ca 0.00 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.81 3mdd h ILE 35 Cb 0.97 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.88 3mdd h ILE 35 CO 0.00 0.00 -0.37 -0.38 0.00 0.00 0.00 178.15 177.40 3mdd n ILE 36 N -4.16 -0.51 0.31 -0.67 5.41 -0.64 -0.96 119.36 118.13 3mdd n ILE 36 Ca -0.07 2.31 0.19 0.00 1.00 0.00 0.00 62.75 66.19 3mdd n ILE 36 Cb 0.23 -3.08 1.04 0.00 -0.71 0.00 0.00 39.64 37.12 3mdd n ILE 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3mdd h PRO 37 N 0.00 0.00 0.00 0.38 0.11 -1.82 -3.14 132.00 127.54 3mdd h PRO 37 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3mdd h PRO 37 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3mdd h PRO 37 CO -0.99 0.00 0.00 1.55 -0.21 0.00 0.00 178.00 178.35 3mdd n VAL 38 N -3.29 0.00 -0.27 3.15 3.14 -0.14 -4.80 118.33 116.13 3mdd n VAL 38 Ca -0.02 -0.43 0.14 0.00 -2.96 0.00 0.00 64.34 61.06 3mdd n VAL 38 Cb 0.17 1.05 0.41 0.00 -1.06 0.00 0.00 33.84 34.41 3mdd n VAL 38 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mdd h ALA 39 N 0.00 1.91 -0.33 1.55 0.00 -1.04 -2.24 119.26 119.10 3mdd h ALA 39 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mdd h ALA 39 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3mdd h ALA 39 CO 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.02 3mdd h ALA 40 N 1.61 0.46 -0.16 0.00 0.00 -1.87 -1.76 119.26 117.54 3mdd h ALA 40 Ca 0.46 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3mdd h ALA 40 Cb 0.83 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3mdd h ALA 40 CO -0.21 0.28 -0.32 1.49 0.00 0.00 0.00 179.25 180.49 3mdd h GLU 41 N 0.42 0.31 -0.10 0.00 4.57 -1.77 -1.86 114.58 116.16 3mdd h GLU 41 Ca 0.09 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 3mdd h GLU 41 Cb 0.55 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3mdd h GLU 41 CO 0.03 0.60 -0.60 1.88 -1.18 0.00 0.00 179.01 179.74 3mdd h TYR 42 N 0.27 0.44 -0.22 0.92 0.05 -1.34 -1.87 116.97 115.23 3mdd h TYR 42 Ca 0.04 -0.17 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 3mdd h TYR 42 Cb 0.70 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 3mdd h TYR 42 CO 0.02 0.86 -0.42 0.22 -1.05 0.00 0.00 178.16 177.78 3mdd h ASP 43 N 0.26 0.57 -0.06 3.88 3.58 -0.92 0.14 116.42 123.87 3mdd h ASP 43 Ca -0.01 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 3mdd h ASP 43 Cb 1.13 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.02 3mdd h ASP 43 CO 0.10 0.92 -0.14 0.03 -2.88 0.00 0.00 179.24 177.27 3mdd h ARG 44 N 0.44 0.21 0.17 0.28 3.08 -1.19 -3.36 114.38 114.01 3mdd h ARG 44 Ca 0.03 -0.14 -0.30 0.00 0.07 0.00 0.00 59.98 59.64 3mdd h ARG 44 Cb 0.92 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.00 3mdd h ARG 44 CO 0.08 0.73 -1.38 1.79 -1.07 0.00 0.00 179.97 180.12 3mdd h THR 45 N -0.29 1.36 0.00 2.04 1.35 -1.35 -3.48 112.91 112.55 3mdd h THR 45 Ca 0.00 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 3mdd h THR 45 Cb 0.73 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 3mdd h THR 45 CO 0.03 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 3mdd n GLY 46 N 1.62 1.32 3.58 5.82 0.00 0.49 -5.02 105.19 113.01 3mdd n GLY 46 Ca -0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 3mdd n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mdd n GLU 47 N -2.00 1.27 -2.26 1.61 2.13 -1.25 -4.19 120.64 115.95 3mdd n GLU 47 Ca 0.00 0.45 -0.42 0.00 0.66 0.00 0.00 57.16 57.85 3mdd n GLU 47 Cb 0.00 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 29.82 3mdd n GLU 47 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3mdd s TYR 48 N -0.68 3.04 -1.05 4.31 5.04 -1.26 -4.69 117.35 122.05 3mdd s TYR 48 Ca 0.65 0.95 -0.08 0.00 -2.44 0.00 0.00 57.07 56.14 3mdd s TYR 48 Cb -0.76 -3.61 -0.13 0.00 0.35 0.00 0.00 41.96 37.80 3mdd s TYR 48 CO 0.56 -2.18 3.14 -0.35 -1.34 0.00 0.00 175.55 175.39 3mdd n PRO 49 N 4.87 3.17 -0.24 4.97 -0.04 -1.26 -4.75 135.00 141.71 3mdd n PRO 49 Ca 0.12 -1.89 0.05 0.00 -0.04 0.00 0.00 63.50 61.74 3mdd n PRO 49 Cb 0.44 -2.51 0.16 0.00 -0.04 0.00 0.00 33.50 31.55 3mdd n PRO 49 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3mdd h VAL 50 N 2.63 0.48 -0.92 0.52 3.04 -1.98 -1.87 116.25 118.13 3mdd h VAL 50 Ca 0.63 -0.07 0.08 0.00 -1.01 0.00 0.00 66.70 66.33 3mdd h VAL 50 Cb 0.69 0.26 -0.07 0.00 -2.01 0.00 0.00 31.29 30.16 3mdd h VAL 50 CO 1.24 0.04 0.58 -0.65 -1.01 0.00 0.00 177.57 177.77 3mdd h PRO 51 N 0.20 0.99 -0.25 4.17 0.11 -1.99 0.34 132.00 135.58 3mdd h PRO 51 Ca 0.39 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 3mdd h PRO 51 Cb 0.68 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3mdd h PRO 51 CO -0.54 0.66 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.53 3mdd h LEU 52 N 1.02 0.70 -0.12 2.35 3.38 -1.77 -1.37 115.31 119.50 3mdd h LEU 52 Ca 0.41 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mdd h LEU 52 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3mdd h LEU 52 CO -0.20 1.06 0.06 -0.07 0.09 0.00 0.00 178.44 179.38 3mdd h LEU 53 N 0.36 0.16 -0.22 1.67 3.38 -0.97 0.70 115.31 120.40 3mdd h LEU 53 Ca 0.03 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3mdd h LEU 53 Cb 0.89 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 3mdd h LEU 53 CO 0.07 0.23 -0.29 0.50 0.09 0.00 0.00 178.44 179.04 3mdd h LYS 54 N 0.07 -0.31 -0.78 1.13 3.64 -0.33 0.14 116.57 120.13 3mdd h LYS 54 Ca 0.04 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3mdd h LYS 54 Cb 0.12 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3mdd h LYS 54 CO -0.01 -0.20 0.40 -0.09 -2.27 0.00 0.00 179.45 177.28 3mdd h ARG 55 N -0.32 1.11 -0.60 1.90 9.65 -0.93 -2.42 114.38 122.79 3mdd h ARG 55 Ca 0.12 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3mdd h ARG 55 Cb 0.51 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 3mdd h ARG 55 CO -0.40 0.85 0.30 0.00 2.80 0.00 0.00 179.97 183.52 3mdd h ALA 56 N 1.21 1.41 -0.38 2.80 0.00 0.16 -1.18 119.26 123.28 3mdd h ALA 56 Ca 0.27 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3mdd h ALA 56 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mdd h ALA 56 CO -0.04 0.47 -0.03 2.35 0.00 0.00 0.00 179.25 182.00 3mdd h TRP 57 N 0.83 0.76 -0.32 0.00 7.01 -0.37 -0.13 115.95 123.72 3mdd h TRP 57 Ca 0.21 -0.14 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 3mdd h TRP 57 Cb 0.06 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3mdd h TRP 57 CO 0.01 0.80 -0.18 0.93 -2.79 0.00 0.00 178.44 177.20 3mdd h GLU 58 N 0.50 0.59 0.00 2.65 5.08 -0.93 -2.36 114.58 120.11 3mdd h GLU 58 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3mdd h GLU 58 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3mdd h GLU 58 CO 0.03 0.74 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 3mdd n LEU 59 N -4.15 0.00 -1.34 1.33 4.32 -0.50 -4.91 117.00 111.75 3mdd n LEU 59 Ca 0.00 0.47 -0.08 0.00 -0.02 0.00 0.00 56.01 56.38 3mdd n LEU 59 Cb 0.38 -0.47 0.02 0.00 -1.62 0.00 0.00 43.42 41.73 3mdd n LEU 59 CO 0.42 -0.08 0.02 0.61 -1.22 0.00 0.00 177.39 177.14 3mdd n GLY 60 N 0.98 0.26 1.17 -0.72 0.00 -0.89 -4.95 105.19 101.04 3mdd n GLY 60 Ca 0.07 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.74 3mdd n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mdd n LEU 61 N -1.75 4.30 -4.25 0.99 4.77 -0.08 -4.87 117.00 116.12 3mdd n LEU 61 Ca -0.03 -2.82 -0.16 0.00 -0.03 0.00 0.00 56.01 52.96 3mdd n LEU 61 Cb 0.54 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3mdd n LEU 61 CO 0.19 0.69 -0.43 -0.32 -1.33 0.00 0.00 177.39 176.18 3mdd s MET 62 N -2.50 1.05 -0.81 3.23 1.75 -1.24 -4.83 119.30 115.95 3mdd s MET 62 Ca 0.44 -1.35 -0.03 0.00 -1.25 0.00 0.00 55.69 53.50 3mdd s MET 62 Cb 0.33 -0.78 0.03 0.00 2.84 0.00 0.00 34.83 37.25 3mdd s MET 62 CO 0.13 0.13 0.14 0.09 -0.65 0.00 0.00 175.02 174.86 3mdd n ASN 63 N 0.15 -2.84 0.22 1.11 5.03 -1.26 -4.81 115.26 112.87 3mdd n ASN 63 Ca -0.13 0.09 0.18 0.00 0.87 0.00 0.00 54.58 55.59 3mdd n ASN 63 Cb 0.59 -2.44 0.84 0.00 -1.02 0.00 0.00 39.78 37.74 3mdd n ASN 63 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3mdd h THR 64 N -0.27 0.26 0.00 3.41 2.02 -1.89 -2.18 112.91 114.26 3mdd h THR 64 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3mdd h THR 64 Cb 1.17 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3mdd h THR 64 CO 0.31 0.00 -0.60 1.57 0.37 0.00 0.00 175.52 177.16 3mdd n HIS 65 N -3.43 0.00 -1.70 3.16 -0.00 -1.26 -1.26 115.22 110.73 3mdd n HIS 65 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 3mdd n HIS 65 Cb 0.40 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.99 30.16 3mdd n HIS 65 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3mdd s ILE 66 N -3.00 2.65 0.54 3.57 1.01 -0.82 -4.50 121.20 120.66 3mdd s ILE 66 Ca 0.10 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3mdd s ILE 66 Cb 0.17 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 3mdd s ILE 66 CO 0.73 -0.00 1.20 -2.65 0.00 0.00 0.00 174.94 174.22 3mdd n PRO 67 N 6.20 1.42 -0.15 2.79 -0.02 -1.26 -0.18 135.00 143.80 3mdd n PRO 67 Ca 0.18 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 3mdd n PRO 67 Cb 0.39 -2.38 0.41 0.00 -0.02 0.00 0.00 33.50 31.89 3mdd n PRO 67 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mdd h GLU 68 N 1.19 0.61 -0.79 -0.52 5.08 -1.84 -1.86 114.58 116.45 3mdd h GLU 68 Ca -0.49 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 57.97 3mdd h GLU 68 Cb 1.33 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3mdd h GLU 68 CO 0.55 0.40 0.52 0.66 -1.00 0.00 0.00 179.01 180.15 3mdd h SER 69 N 0.63 0.50 -0.41 1.42 4.64 -1.90 0.17 113.55 118.59 3mdd h SER 69 Ca 0.30 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3mdd h SER 69 Cb 0.37 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3mdd h SER 69 CO -0.10 0.27 0.00 0.49 -0.87 0.00 0.00 176.83 176.62 3mdd n PHE 70 N -4.51 1.01 -0.81 4.77 3.72 -0.78 -4.88 117.46 115.98 3mdd n PHE 70 Ca 0.15 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3mdd n PHE 70 Cb 0.48 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3mdd n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mdd n GLY 71 N 0.78 0.67 2.48 1.37 0.00 0.58 -4.38 105.19 106.70 3mdd n GLY 71 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3mdd n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdd n GLY 72 N -2.61 -0.96 0.09 -0.02 0.00 -0.77 -4.93 105.19 95.98 3mdd n GLY 72 Ca 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 3mdd n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mdd n LEU 73 N 0.00 0.79 -3.06 0.99 4.32 -0.78 -3.85 117.00 115.41 3mdd n LEU 73 Ca 0.11 0.36 -0.16 0.00 -0.02 0.00 0.00 56.01 56.29 3mdd n LEU 73 Cb 0.37 0.14 0.07 0.00 -1.62 0.00 0.00 43.42 42.38 3mdd n LEU 73 CO 0.27 0.26 0.13 0.61 -1.22 0.00 0.00 177.39 177.44 3mdd n GLY 74 N 1.48 -0.26 3.84 -0.72 0.00 0.75 -4.70 105.19 105.58 3mdd n GLY 74 Ca -0.14 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3mdd n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mdd s LEU 75 N -5.89 3.67 0.86 0.99 1.02 -0.39 -4.94 118.68 114.01 3mdd s LEU 75 Ca 0.18 1.55 -0.09 0.00 0.02 0.00 0.00 54.13 55.79 3mdd s LEU 75 Cb -0.08 -4.47 0.18 0.00 0.02 0.00 0.00 46.19 41.83 3mdd s LEU 75 CO 0.61 -0.55 1.18 -0.83 0.02 0.00 0.00 176.35 176.79 3mdd s GLY 76 N -2.98 1.78 0.28 -3.19 0.00 -1.26 -4.50 107.32 97.45 3mdd s GLY 76 Ca 0.59 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3mdd s GLY 76 CO 0.29 -0.81 1.71 -2.22 0.00 0.00 0.00 173.10 172.07 3mdd h ILE 77 N -1.16 1.28 -0.15 0.90 1.08 -1.92 -2.45 117.51 115.07 3mdd h ILE 77 Ca -0.40 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 3mdd h ILE 77 Cb 1.24 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 3mdd h ILE 77 CO 0.37 0.42 0.09 0.40 -0.69 0.00 0.00 178.15 178.74 3mdd h ILE 78 N 0.37 1.07 -0.07 -0.67 2.04 -1.94 -0.94 117.51 117.37 3mdd h ILE 78 Ca 0.05 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3mdd h ILE 78 Cb 0.72 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3mdd h ILE 78 CO 0.05 0.07 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 3mdd h ASP 79 N 0.17 -0.04 -0.40 1.72 3.32 -1.91 -0.50 116.42 118.77 3mdd h ASP 79 Ca 0.05 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.21 3mdd h ASP 79 Cb 0.03 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 3mdd h ASP 79 CO -0.01 -0.01 -0.22 0.28 -1.72 0.00 0.00 179.24 177.56 3mdd h SER 80 N 0.01 -0.75 -0.39 6.45 0.02 -1.15 -0.00 113.55 117.74 3mdd h SER 80 Ca 0.03 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3mdd h SER 80 Cb 0.04 0.39 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3mdd h SER 80 CO -0.06 -0.25 0.16 0.00 -1.14 0.00 0.00 176.83 175.54 3mdd h LEU 82 N 0.34 -0.49 0.11 0.00 4.07 -0.10 0.12 115.31 119.35 3mdd h LEU 82 Ca 0.17 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 3mdd h LEU 82 Cb 0.12 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3mdd h LEU 82 CO -0.15 -0.21 -0.05 0.40 -1.08 0.00 0.00 178.44 177.35 3mdd h ILE 83 N -0.20 1.04 -0.53 1.22 2.04 -0.73 -3.22 117.51 117.14 3mdd h ILE 83 Ca 0.09 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.46 3mdd h ILE 83 Cb 0.34 1.42 -0.11 0.00 -0.74 0.00 0.00 36.82 37.73 3mdd h ILE 83 CO -0.24 0.14 -0.26 0.74 0.00 0.00 0.00 178.15 178.53 3mdd h THR 84 N -0.42 0.27 -0.47 -0.27 2.02 0.49 -1.16 112.91 113.37 3mdd h THR 84 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3mdd h THR 84 Cb 0.35 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3mdd h THR 84 CO 0.02 0.00 0.32 -0.08 0.37 0.00 0.00 175.52 176.16 3mdd h GLU 85 N -0.14 0.28 0.01 6.66 4.81 -1.00 0.71 114.58 125.92 3mdd h GLU 85 Ca 0.23 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 3mdd h GLU 85 Cb 0.51 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.84 3mdd h GLU 85 CO -0.61 0.19 -0.71 0.93 -0.73 0.00 0.00 179.01 178.08 3mdd h GLU 86 N 0.29 0.46 -0.44 1.92 4.39 -1.24 -2.83 114.58 117.13 3mdd h GLU 86 Ca 0.21 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 3mdd h GLU 86 Cb 0.47 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3mdd h GLU 86 CO -0.05 1.16 0.19 -0.07 -1.16 0.00 0.00 179.01 179.09 3mdd h LEU 87 N -0.02 0.59 -1.01 1.33 4.07 -0.91 -2.78 115.31 116.59 3mdd h LEU 87 Ca -0.09 -0.15 0.05 0.00 0.08 0.00 0.00 57.88 57.77 3mdd h LEU 87 Cb 1.42 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 3mdd h LEU 87 CO 0.14 0.58 0.66 0.00 -1.08 0.00 0.00 178.44 178.73 3mdd h ALA 88 N 1.04 1.36 -0.86 1.53 0.00 -0.95 -1.53 119.26 119.85 3mdd h ALA 88 Ca 0.15 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3mdd h ALA 88 Cb 0.16 -0.34 -0.10 0.00 0.00 0.00 0.00 17.79 17.51 3mdd h ALA 88 CO -0.02 0.52 0.42 -0.92 0.00 0.00 0.00 179.25 179.25 3mdd h TYR 89 N 1.24 0.72 0.42 0.00 5.03 -1.23 -2.67 116.97 120.48 3mdd h TYR 89 Ca 0.41 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.74 3mdd h TYR 89 Cb 0.07 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.16 3mdd h TYR 89 CO -0.00 0.11 -0.20 0.78 -1.32 0.00 0.00 178.16 177.53 3mdd h GLY 90 N 0.55 -0.58 -6.01 1.82 0.00 -1.30 -3.44 103.07 94.10 3mdd h GLY 90 Ca 0.49 0.22 0.12 0.00 0.00 0.00 0.00 47.33 48.15 3mdd h GLY 90 CO -0.41 -0.21 0.41 0.00 0.00 0.00 0.00 176.54 176.33 3mdd h THR 92 N 5.00 0.00 0.61 0.00 1.35 -1.82 -2.10 112.91 115.95 3mdd h THR 92 Ca -0.28 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.77 3mdd h THR 92 Cb 1.19 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 69.29 3mdd h THR 92 CO 0.20 0.00 -0.29 1.23 -0.25 0.00 0.00 175.52 176.41 3mdd h GLY 93 N 4.21 -0.85 0.98 5.82 0.00 -1.93 -0.38 103.07 110.93 3mdd h GLY 93 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3mdd h GLY 93 CO 0.00 -0.31 -0.18 -2.08 0.00 0.00 0.00 176.54 173.97 3mdd h VAL 94 N -0.99 0.64 -0.72 4.60 2.07 -1.93 -3.17 116.25 116.74 3mdd h VAL 94 Ca -0.08 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3mdd h VAL 94 Cb 0.67 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3mdd h VAL 94 CO 0.14 0.01 0.33 -0.61 0.02 0.00 0.00 177.57 177.46 3mdd h GLN 95 N -0.52 0.52 0.00 1.57 -0.00 -1.42 -1.26 115.11 114.00 3mdd h GLN 95 Ca -0.05 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 3mdd h GLN 95 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 3mdd h GLN 95 CO 0.08 0.34 -0.12 1.79 0.00 0.00 0.00 178.83 180.93 3mdd h THR 96 N 0.54 1.03 -0.39 2.39 1.35 -1.03 0.12 112.91 116.91 3mdd h THR 96 Ca 0.37 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3mdd h THR 96 Cb 0.46 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 3mdd h THR 96 CO -0.32 0.12 0.24 0.00 -0.25 0.00 0.00 175.52 175.31 3mdd h ALA 97 N 1.88 0.50 -0.37 6.62 0.00 -1.25 0.25 119.26 126.89 3mdd h ALA 97 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mdd h ALA 97 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3mdd h ALA 97 CO 0.02 -0.01 0.15 0.82 0.00 0.00 0.00 179.25 180.23 3mdd h ILE 98 N 0.52 1.19 -0.79 0.00 2.04 -1.01 -2.99 117.51 116.47 3mdd h ILE 98 Ca 0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3mdd h ILE 98 Cb -0.01 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3mdd h ILE 98 CO -0.03 0.20 0.47 -0.08 0.00 0.00 0.00 178.15 178.71 3mdd h GLU 99 N 0.45 1.07 -0.65 2.37 4.81 -0.49 -2.76 114.58 119.40 3mdd h GLU 99 Ca 0.12 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3mdd h GLU 99 Cb 0.18 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 3mdd h GLU 99 CO -0.01 0.76 0.26 0.00 -0.73 0.00 0.00 179.01 179.29 3mdd h ALA 100 N 1.25 0.85 -0.51 2.92 0.00 -0.37 -0.95 119.26 122.45 3mdd h ALA 100 Ca 0.28 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.38 3mdd h ALA 100 Cb -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3mdd h ALA 100 CO -0.05 -0.17 -0.02 -0.91 0.00 0.00 0.00 179.25 178.10 3mdd h ASN 101 N 0.45 -0.26 -0.11 0.00 4.21 -1.47 -0.43 115.58 117.97 3mdd h ASN 101 Ca 0.33 0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.89 3mdd h ASN 101 Cb 0.41 0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 3mdd h ASN 101 CO -0.31 -0.09 -0.16 0.74 -1.29 0.00 0.00 177.43 176.32 3mdd h THR 102 N 0.10 1.24 -0.96 2.81 2.02 -1.27 -1.54 112.91 115.30 3mdd h THR 102 Ca 0.26 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3mdd h THR 102 Cb 0.40 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3mdd h THR 102 CO -0.45 0.35 0.62 -0.07 0.37 0.00 0.00 175.52 176.34 3mdd h LEU 103 N 0.44 1.13 -0.39 2.58 4.07 0.14 -1.55 115.31 121.73 3mdd h LEU 103 Ca 0.08 -0.05 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 3mdd h LEU 103 Cb 0.53 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3mdd h LEU 103 CO 0.03 0.84 -0.80 1.23 -1.08 0.00 0.00 178.44 178.66 3mdd h GLY 104 N 1.32 0.17 0.63 0.83 0.00 -0.81 -3.36 103.07 101.85 3mdd h GLY 104 Ca 0.35 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 3mdd h GLY 104 CO -0.07 0.25 -0.57 1.46 0.00 0.00 0.00 176.54 177.61 3mdd h GLN 105 N 0.09 0.29 -0.55 4.80 4.20 -0.91 -3.39 115.11 119.65 3mdd h GLN 105 Ca -0.03 -0.39 0.10 0.00 0.06 0.00 0.00 58.65 58.40 3mdd h GLN 105 Cb 1.40 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 29.20 3mdd h GLN 105 CO 0.12 1.12 -0.29 0.28 -0.67 0.00 0.00 178.83 179.38 3mdd h VAL 106 N -0.35 0.23 -0.69 -0.54 2.07 -1.44 -1.10 116.25 114.42 3mdd h VAL 106 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 3mdd h VAL 106 Cb 1.36 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.24 3mdd h VAL 106 CO 0.11 0.00 -0.03 -0.65 0.02 0.00 0.00 177.57 177.02 3mdd h PRO 107 N -0.15 0.09 -0.36 1.57 0.11 -1.76 -0.21 132.00 131.28 3mdd h PRO 107 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3mdd h PRO 107 Cb 0.53 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3mdd h PRO 107 CO -0.64 0.06 0.23 1.25 -0.21 0.00 0.00 178.00 178.69 3mdd h LEU 108 N 0.09 0.42 -1.49 2.35 5.85 -1.43 0.94 115.31 122.04 3mdd h LEU 108 Ca 0.37 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3mdd h LEU 108 Cb 0.61 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3mdd h LEU 108 CO -0.62 0.34 -0.26 0.40 -0.34 0.00 0.00 178.44 177.95 3mdd h ILE 109 N 0.48 1.17 0.00 4.05 2.04 -0.19 0.44 117.51 125.49 3mdd h ILE 109 Ca 0.13 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3mdd h ILE 109 Cb -0.02 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3mdd h ILE 109 CO -0.03 0.25 -0.92 2.30 0.00 0.00 0.00 178.15 179.76 3mdd n ILE 110 N -4.21 0.00 -0.89 -0.67 -5.35 -0.23 -4.64 119.36 103.38 3mdd n ILE 110 Ca -0.02 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3mdd n ILE 110 Cb 0.31 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 3mdd n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdd n GLY 111 N 1.42 -1.33 3.91 3.28 0.00 0.30 -5.08 105.19 107.70 3mdd n GLY 111 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3mdd n GLY 111 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mdd s GLY 112 N -0.08 1.60 0.65 -0.02 0.00 0.15 -2.79 107.32 106.84 3mdd s GLY 112 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 3mdd s GLY 112 CO 0.00 -1.13 0.93 0.54 0.00 0.00 0.00 173.10 173.44 3mdd s ASN 113 N -3.38 4.97 0.26 1.64 2.20 -1.26 -4.87 114.94 114.50 3mdd s ASN 113 Ca 0.34 0.27 -0.02 0.00 -0.94 0.00 0.00 52.86 52.51 3mdd s ASN 113 Cb -0.10 -1.00 0.41 0.00 -2.00 0.00 0.00 41.25 38.56 3mdd s ASN 113 CO 0.27 -1.44 1.87 0.22 -2.94 0.00 0.00 177.10 175.08 3mdd h TYR 114 N -0.36 1.16 -0.22 1.54 3.20 -1.99 -1.18 116.97 119.12 3mdd h TYR 114 Ca -0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3mdd h TYR 114 Cb 1.31 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3mdd h TYR 114 CO 0.33 0.58 0.14 0.37 -1.64 0.00 0.00 178.16 177.94 3mdd h GLN 115 N 1.12 0.28 -0.26 1.82 -0.00 -1.99 -0.66 115.11 115.41 3mdd h GLN 115 Ca 0.43 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 59.03 3mdd h GLN 115 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 3mdd h GLN 115 CO -0.19 0.18 0.01 1.96 0.00 0.00 0.00 178.83 180.79 3mdd h GLN 116 N 0.28 0.45 0.07 1.69 4.20 -1.81 -2.95 115.11 117.04 3mdd h GLN 116 Ca 0.08 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3mdd h GLN 116 Cb -0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3mdd h GLN 116 CO -0.02 0.61 -0.03 1.96 -0.67 0.00 0.00 178.83 180.68 3mdd h GLN 117 N 0.23 -0.09 -0.49 1.46 4.20 -1.13 -1.37 115.11 117.93 3mdd h GLN 117 Ca 0.07 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.88 3mdd h GLN 117 Cb 0.41 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 3mdd h GLN 117 CO 0.01 0.07 0.04 -0.22 -0.67 0.00 0.00 178.83 178.06 3mdd h LYS 118 N -0.22 0.15 0.10 1.46 3.64 -1.17 0.47 116.57 121.00 3mdd h LYS 118 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3mdd h LYS 118 Cb 0.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3mdd h LYS 118 CO 0.01 0.10 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.03 3mdd h LYS 119 N 0.16 -0.13 0.20 1.90 3.64 -1.48 -2.66 116.57 118.20 3mdd h LYS 119 Ca 0.25 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.30 3mdd h LYS 119 Cb 0.37 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3mdd h LYS 119 CO -0.38 0.35 -1.61 1.88 -2.27 0.00 0.00 179.45 177.42 3mdd h TYR 120 N -0.71 0.78 0.07 1.91 0.05 -1.18 -3.17 116.97 114.73 3mdd h TYR 120 Ca -0.01 -0.57 -0.19 0.00 0.05 0.00 0.00 58.73 58.01 3mdd h TYR 120 Cb 0.54 -0.03 0.02 0.00 1.01 0.00 0.00 36.73 38.27 3mdd h TYR 120 CO 0.10 1.58 -0.79 -0.07 -1.05 0.00 0.00 178.16 177.93 3mdd h LEU 121 N 0.12 0.56 -1.41 3.88 4.07 -0.24 -3.33 115.31 118.96 3mdd h LEU 121 Ca -0.29 -0.85 0.21 0.00 0.08 0.00 0.00 57.88 57.04 3mdd h LEU 121 Cb 2.11 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 43.60 3mdd h LEU 121 CO 0.21 1.35 0.62 1.23 -1.08 0.00 0.00 178.44 180.77 3mdd h GLY 122 N -0.15 1.06 1.12 0.83 0.00 -1.15 -1.50 103.07 103.28 3mdd h GLY 122 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3mdd h GLY 122 CO 0.15 -0.03 -0.30 -0.96 0.00 0.00 0.00 176.54 175.40 3mdd n ARG 123 N -4.56 0.20 0.07 4.80 1.85 -1.20 -2.99 116.66 114.82 3mdd n ARG 123 Ca 0.21 -0.09 -0.06 0.00 -1.00 0.00 0.00 57.85 56.91 3mdd n ARG 123 Cb 0.71 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.74 3mdd n ARG 123 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 3mdd h MET 124 N 0.22 0.31 0.00 2.89 2.86 -1.42 -2.57 114.93 117.22 3mdd h MET 124 Ca 0.00 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 3mdd h MET 124 Cb 0.48 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3mdd h MET 124 CO 0.00 0.80 -0.30 1.15 1.06 0.00 0.00 176.91 179.62 3mdd h THR 125 N 0.24 0.56 0.17 2.22 2.02 -1.50 -3.33 112.91 113.29 3mdd h THR 125 Ca -0.00 -1.58 -0.31 0.00 0.77 0.00 0.00 66.41 65.29 3mdd h THR 125 Cb 1.08 2.11 0.01 0.00 -1.74 0.00 0.00 68.15 69.60 3mdd h THR 125 CO 0.09 0.29 -1.52 -0.33 0.37 0.00 0.00 175.52 174.43 3mdd h GLU 126 N 0.00 0.36 -5.03 6.66 5.08 -1.44 -3.48 114.58 116.72 3mdd h GLU 126 Ca -0.00 -0.61 -0.36 0.00 -1.00 0.00 0.00 59.36 57.38 3mdd h GLU 126 Cb 1.08 0.23 -0.14 0.00 0.50 0.00 0.00 28.75 30.42 3mdd h GLU 126 CO 0.04 1.29 -0.66 -1.21 -1.00 0.00 0.00 179.01 177.47 3mdd s GLU 127 N -2.53 1.30 -1.41 2.33 2.02 -1.00 -5.06 118.70 114.35 3mdd s GLU 127 Ca -0.16 -1.65 -0.15 0.00 0.02 0.00 0.00 54.97 53.03 3mdd s GLU 127 Cb 0.04 -0.55 0.06 0.00 0.10 0.00 0.00 34.13 33.78 3mdd s GLU 127 CO 0.84 -0.11 2.08 -2.30 0.02 0.00 0.00 175.26 175.79 3mdd n PRO 128 N -0.39 2.98 -3.21 0.39 -0.02 -1.26 -4.49 135.00 128.99 3mdd n PRO 128 Ca -0.05 -2.83 -0.22 0.00 -2.02 0.00 0.00 63.50 58.38 3mdd n PRO 128 Cb 0.64 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 3mdd n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mdd s LEU 129 N 2.57 3.82 0.21 2.45 1.02 -1.26 -5.00 118.68 122.50 3mdd s LEU 129 Ca 0.48 0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.93 3mdd s LEU 129 Cb 0.11 -3.10 -0.05 0.00 0.02 0.00 0.00 46.19 43.18 3mdd s LEU 129 CO -0.04 -0.53 -0.15 -0.04 0.02 0.00 0.00 176.35 175.60 3mdd s MET 130 N -4.40 1.36 0.18 1.70 -1.94 -1.26 -5.00 119.30 109.94 3mdd s MET 130 Ca 0.45 -1.60 -0.10 0.00 -1.71 0.00 0.00 55.69 52.73 3mdd s MET 130 Cb -0.10 -1.19 -0.01 0.00 2.01 0.00 0.00 34.83 35.55 3mdd s MET 130 CO 0.36 0.20 0.32 0.00 -0.01 0.00 0.00 175.02 175.89 3mdd s ALA 132 N -3.97 0.98 -0.27 0.00 0.00 -0.98 -3.86 121.76 113.66 3mdd s ALA 132 Ca 0.18 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 3mdd s ALA 132 Cb 0.03 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.05 3mdd s ALA 132 CO 0.01 -0.47 -0.06 -0.47 0.00 0.00 0.00 175.76 174.78 3mdd s TYR 133 N -3.99 3.21 -0.39 0.00 5.04 -1.26 -0.76 117.35 119.20 3mdd s TYR 133 Ca 0.25 -1.96 -0.07 0.00 -2.44 0.00 0.00 57.07 52.85 3mdd s TYR 133 Cb 0.07 -2.03 0.07 0.00 0.35 0.00 0.00 41.96 40.42 3mdd s TYR 133 CO 0.03 -0.82 0.20 0.00 -1.34 0.00 0.00 175.55 173.63 3mdd n VAL 135 N 4.83 0.36 -1.55 0.00 0.31 -1.26 -2.20 118.33 118.82 3mdd n VAL 135 Ca -0.10 0.12 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 3mdd n VAL 135 Cb 0.43 -0.81 0.01 0.00 -0.91 0.00 0.00 33.84 32.56 3mdd n VAL 135 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3mdd n THR 136 N -3.48 2.34 -4.19 2.52 -1.04 -1.26 -4.93 114.28 104.25 3mdd n THR 136 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 3mdd n THR 136 Cb 0.00 -0.93 -0.10 0.00 -1.82 0.00 0.00 70.33 67.48 3mdd n THR 136 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3mdd s GLU 137 N -1.94 0.88 0.54 -2.82 2.02 0.12 -2.16 118.70 115.33 3mdd s GLU 137 Ca 0.65 -1.35 0.30 0.00 0.02 0.00 0.00 54.97 54.59 3mdd s GLU 137 Cb -0.56 -0.31 1.47 0.00 0.10 0.00 0.00 34.13 34.83 3mdd s GLU 137 CO 0.56 0.01 1.91 -1.35 0.02 0.00 0.00 175.26 176.41 3mdd h PRO 138 N 2.97 0.00 0.00 0.39 0.11 -1.88 -1.06 132.00 132.52 3mdd h PRO 138 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3mdd h PRO 138 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mdd h PRO 138 CO 0.64 0.00 -1.34 0.41 -0.21 0.00 0.00 178.00 177.50 3mdd n GLY 139 N -1.70 -1.04 3.37 -0.55 0.00 -1.26 -4.95 105.19 99.06 3mdd n GLY 139 Ca 0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3mdd n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdd s ALA 140 N -3.21 -1.31 0.12 4.61 0.00 -0.40 -5.02 121.76 116.55 3mdd s ALA 140 Ca 0.02 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.75 3mdd s ALA 140 Cb 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.12 3mdd s ALA 140 CO 0.87 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3mdd n GLY 141 N 4.52 -0.11 0.28 0.00 0.00 -1.26 0.16 105.19 108.77 3mdd n GLY 141 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3mdd n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mdd h SER 142 N 0.00 0.93 -2.41 1.61 0.02 -1.96 -3.35 113.55 108.39 3mdd h SER 142 Ca 0.00 -0.34 -0.74 0.00 -0.84 0.00 0.00 61.79 59.87 3mdd h SER 142 Cb 0.00 -0.26 -0.19 0.00 0.14 0.00 0.00 62.40 62.09 3mdd h SER 142 CO 0.00 1.10 1.16 -0.62 -1.14 0.00 0.00 176.83 177.33 3mdd s ASP 143 N -6.72 7.07 0.28 3.07 2.15 -1.26 -4.83 116.67 116.42 3mdd s ASP 143 Ca -0.10 -2.99 -0.02 0.00 0.43 0.00 0.00 52.55 49.86 3mdd s ASP 143 Cb 0.13 -2.37 0.40 0.00 -0.30 0.00 0.00 42.92 40.77 3mdd s ASP 143 CO 0.86 -0.71 1.89 0.58 -0.17 0.00 0.00 175.17 177.61 3mdd h VAL 144 N 4.62 1.22 0.00 1.11 2.07 -1.91 -1.36 116.25 122.00 3mdd h VAL 144 Ca 0.28 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3mdd h VAL 144 Cb 0.89 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3mdd h VAL 144 CO 1.19 0.26 0.00 0.00 0.02 0.00 0.00 177.57 179.04 3mdd n ALA 145 N -2.44 2.11 -0.04 1.67 0.00 -1.26 -1.89 120.51 118.66 3mdd n ALA 145 Ca 0.07 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3mdd n ALA 145 Cb 0.13 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.53 3mdd n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mdd n GLY 146 N 0.05 2.08 3.77 0.00 0.00 -0.51 -5.01 105.19 105.55 3mdd n GLY 146 Ca 0.10 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3mdd n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mdd s ILE 147 N -1.05 3.26 0.00 -0.61 -4.36 -0.79 -4.71 121.20 112.93 3mdd s ILE 147 Ca 0.28 0.49 0.00 0.00 -0.26 0.00 0.00 60.65 61.15 3mdd s ILE 147 Cb 0.15 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.88 3mdd s ILE 147 CO 0.20 -0.46 0.36 0.29 0.24 0.00 0.00 174.94 175.57 3mdd n LYS 148 N -3.03 -0.27 -2.18 0.37 5.02 -1.26 -4.80 118.16 112.01 3mdd n LYS 148 Ca 0.10 -0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 3mdd n LYS 148 Cb 0.52 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.72 3mdd n LYS 148 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mdd s THR 149 N -0.08 3.63 0.40 -0.18 -4.23 -1.26 -4.83 115.64 109.10 3mdd s THR 149 Ca 0.00 0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 60.92 3mdd s THR 149 Cb 0.00 -4.02 -0.09 0.00 1.34 0.00 0.00 72.50 69.73 3mdd s THR 149 CO 0.00 -0.77 0.86 -1.59 -0.54 0.00 0.00 174.62 172.58 3mdd s LYS 150 N 5.72 4.05 -0.14 3.99 -2.85 0.15 -0.56 119.74 130.09 3mdd s LYS 150 Ca 0.66 0.85 -0.00 0.00 -1.00 0.00 0.00 55.97 56.48 3mdd s LYS 150 Cb -0.16 -2.29 0.03 0.00 -2.06 0.00 0.00 37.83 33.36 3mdd s LYS 150 CO 0.29 -0.01 -0.07 0.00 0.10 0.00 0.00 175.35 175.66 3mdd s ALA 151 N -2.21 1.47 -0.19 0.59 0.00 -0.80 -0.87 121.76 119.75 3mdd s ALA 151 Ca 0.57 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3mdd s ALA 151 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3mdd s ALA 151 CO 0.20 -0.59 -0.13 -1.21 0.00 0.00 0.00 175.76 174.03 3mdd s GLU 152 N 1.65 3.18 -0.15 0.00 2.02 -0.28 -4.53 118.70 120.58 3mdd s GLU 152 Ca 0.03 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 3mdd s GLU 152 Cb -0.14 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 3mdd s GLU 152 CO -0.08 -0.17 1.57 0.21 0.02 0.00 0.00 175.26 176.81 3mdd s LYS 153 N 1.29 4.01 -0.49 1.61 2.20 -1.26 -0.28 119.74 126.83 3mdd s LYS 153 Ca 0.04 1.86 0.03 0.00 -0.36 0.00 0.00 55.97 57.54 3mdd s LYS 153 Cb -0.14 -3.97 0.16 0.00 -1.51 0.00 0.00 37.83 32.37 3mdd s LYS 153 CO -0.07 -1.03 0.34 0.21 -0.36 0.00 0.00 175.35 174.44 3mdd s LYS 154 N 4.24 1.37 6.05 4.03 2.20 0.23 -4.98 119.74 132.88 3mdd s LYS 154 Ca 0.69 -2.32 0.00 0.00 -0.36 0.00 0.00 55.97 53.98 3mdd s LYS 154 Cb -0.27 -2.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 3mdd s LYS 154 CO 0.27 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 3mdd n GLY 155 N 2.94 1.86 1.71 5.54 0.00 -1.26 -3.18 105.19 112.80 3mdd n GLY 155 Ca 0.19 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 3mdd n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mdd n ASP 156 N 7.45 3.79 -3.87 1.61 9.92 -1.26 -4.95 116.55 129.25 3mdd n ASP 156 Ca 0.00 -3.74 -0.09 0.00 -0.53 0.00 0.00 54.79 50.42 3mdd n ASP 156 Cb 0.00 -0.71 -0.07 0.00 -0.64 0.00 0.00 41.12 39.70 3mdd n ASP 156 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3mdd s GLU 157 N -3.39 1.06 0.04 -1.24 2.02 -1.19 -2.59 118.70 113.41 3mdd s GLU 157 Ca 0.52 -1.02 0.09 0.00 0.02 0.00 0.00 54.97 54.57 3mdd s GLU 157 Cb 0.44 0.39 -0.03 0.00 0.10 0.00 0.00 34.13 35.03 3mdd s GLU 157 CO 0.03 -0.38 -0.25 0.71 0.02 0.00 0.00 175.26 175.39 3mdd s TYR 158 N -3.90 2.16 -0.27 1.61 1.51 0.15 0.75 117.35 119.36 3mdd s TYR 158 Ca 0.11 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 3mdd s TYR 158 Cb 0.03 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.60 3mdd s TYR 158 CO -0.05 0.10 0.01 0.42 -1.11 0.00 0.00 175.55 174.92 3mdd s ILE 159 N -0.78 3.45 -0.16 2.71 -1.09 0.62 0.03 121.20 125.99 3mdd s ILE 159 Ca 0.10 -0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 57.54 3mdd s ILE 159 Cb -0.10 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 3mdd s ILE 159 CO 0.02 0.13 0.27 -0.63 -1.23 0.00 0.00 174.94 173.49 3mdd s ILE 160 N 1.42 5.32 -0.09 2.92 -1.09 0.64 -1.13 121.20 129.19 3mdd s ILE 160 Ca 0.01 0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 3mdd s ILE 160 Cb -0.17 -3.60 0.04 0.00 -1.58 0.00 0.00 42.46 37.15 3mdd s ILE 160 CO -0.01 0.42 0.06 0.20 -1.23 0.00 0.00 174.94 174.38 3mdd s ASN 161 N 0.30 1.58 0.00 3.58 0.02 -0.05 -2.03 114.94 118.34 3mdd s ASN 161 Ca 0.16 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.83 3mdd s ASN 161 Cb -0.13 -0.21 0.00 0.00 0.02 0.00 0.00 41.25 40.93 3mdd s ASN 161 CO 0.03 -0.28 0.00 0.61 0.02 0.00 0.00 177.10 177.49 3mdd n GLY 162 N 5.27 -2.05 3.01 0.66 0.00 -0.73 0.29 105.19 111.64 3mdd n GLY 162 Ca -0.05 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 3mdd n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mdd s GLN 163 N -1.88 0.70 -0.00 1.61 0.74 -1.26 0.78 119.66 120.34 3mdd s GLN 163 Ca 0.00 -0.29 0.07 0.00 0.05 0.00 0.00 55.36 55.19 3mdd s GLN 163 Cb 0.00 -0.67 -0.02 0.00 1.10 0.00 0.00 33.01 33.42 3mdd s GLN 163 CO 0.00 0.17 -0.22 0.15 -0.55 0.00 0.00 175.29 174.84 3mdd s LYS 164 N -0.14 1.71 0.07 1.67 -0.14 0.30 -4.51 119.74 118.71 3mdd s LYS 164 Ca 0.02 -0.83 0.06 0.00 -1.36 0.00 0.00 55.97 53.87 3mdd s LYS 164 Cb -0.04 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.39 3mdd s LYS 164 CO -0.00 0.46 -0.17 1.41 -0.76 0.00 0.00 175.35 176.29 3mdd s MET 165 N -0.67 0.96 -0.81 1.68 -2.45 -0.92 0.15 119.30 117.25 3mdd s MET 165 Ca 0.08 -0.98 -0.01 0.00 -1.25 0.00 0.00 55.69 53.53 3mdd s MET 165 Cb -0.09 -1.06 0.00 0.00 1.25 0.00 0.00 34.83 34.94 3mdd s MET 165 CO -0.00 0.25 0.68 0.91 1.05 0.00 0.00 175.02 177.91 3mdd n TRP 166 N 1.36 -1.53 -3.20 4.11 5.03 -1.09 -4.37 117.44 117.74 3mdd n TRP 166 Ca -0.20 0.63 -0.43 0.00 3.03 0.00 0.00 57.50 60.53 3mdd n TRP 166 Cb 0.54 -3.97 -0.08 0.00 -1.03 0.00 0.00 31.31 26.77 3mdd n TRP 166 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 3mdd s ILE 167 N -3.23 4.94 0.24 -0.99 -1.09 0.13 -4.78 121.20 116.42 3mdd s ILE 167 Ca 0.07 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 3mdd s ILE 167 Cb -0.03 -4.13 -0.10 0.00 -1.58 0.00 0.00 42.46 36.62 3mdd s ILE 167 CO 0.48 -0.52 1.45 -0.89 -1.23 0.00 0.00 174.94 174.24 3mdd s THR 168 N 2.51 2.65 -1.41 2.92 2.01 -1.26 -1.20 115.64 121.87 3mdd s THR 168 Ca 0.18 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3mdd s THR 168 Cb -0.15 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3mdd s THR 168 CO 0.17 0.08 0.00 0.59 -0.69 0.00 0.00 174.62 174.77 3mdd n ASN 169 N 2.45 -4.81 -0.22 3.53 5.03 0.32 -4.54 115.26 117.01 3mdd n ASN 169 Ca 0.07 0.33 0.02 0.00 0.87 0.00 0.00 54.58 55.87 3mdd n ASN 169 Cb 0.40 -3.48 0.12 0.00 -1.02 0.00 0.00 39.78 35.80 3mdd n ASN 169 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3mdd h GLY 170 N 0.00 0.76 -2.78 7.41 0.00 -1.24 -0.42 103.07 106.80 3mdd h GLY 170 Ca -0.27 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3mdd h GLY 170 CO 0.40 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.35 3mdd n GLY 171 N -1.36 2.56 0.00 4.60 0.00 -1.26 -4.24 105.19 105.49 3mdd n GLY 171 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3mdd n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mdd n LYS 172 N 1.54 -0.26 -3.00 1.61 4.01 -0.71 -5.08 118.16 116.26 3mdd n LYS 172 Ca 0.25 -0.47 -0.38 0.00 -0.51 0.00 0.00 58.31 57.20 3mdd n LYS 172 Cb 0.68 -0.84 -0.06 0.00 -0.51 0.00 0.00 35.03 34.30 3mdd n LYS 172 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mdd s ALA 173 N -0.10 3.42 0.06 7.82 0.00 -0.25 -4.32 121.76 128.39 3mdd s ALA 173 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 3mdd s ALA 173 Cb 0.00 -2.93 -0.29 0.00 0.00 0.00 0.00 23.12 19.90 3mdd s ALA 173 CO 0.00 0.30 1.10 -0.97 0.00 0.00 0.00 175.76 176.19 3mdd h ASN 174 N 4.00 0.81 -5.06 0.00 -1.24 -1.01 -3.41 115.58 109.67 3mdd h ASN 174 Ca -0.47 -0.77 -0.07 0.00 0.71 0.00 0.00 56.30 55.70 3mdd h ASN 174 Cb 1.20 -0.26 -0.15 0.00 0.73 0.00 0.00 38.32 39.85 3mdd h ASN 174 CO 0.66 1.58 -0.10 -1.66 -1.29 0.00 0.00 177.43 176.62 3mdd s TRP 175 N -2.91 -0.22 -0.01 0.67 1.48 -1.26 -2.07 118.94 114.63 3mdd s TRP 175 Ca -0.09 0.02 0.07 0.00 -1.06 0.00 0.00 56.10 55.05 3mdd s TRP 175 Cb 0.06 0.23 -0.02 0.00 -1.16 0.00 0.00 33.47 32.57 3mdd s TRP 175 CO 0.93 -0.63 -0.24 0.71 -4.06 0.00 0.00 176.95 173.66 3mdd s TYR 176 N -3.19 2.12 -0.20 1.66 2.02 0.24 -2.32 117.35 117.69 3mdd s TYR 176 Ca -0.01 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.04 3mdd s TYR 176 Cb 0.01 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3mdd s TYR 176 CO -0.07 -0.03 0.86 0.12 -1.57 0.00 0.00 175.55 174.86 3mdd s PHE 177 N -0.57 3.37 -0.12 2.71 5.36 0.06 -0.15 117.98 128.64 3mdd s PHE 177 Ca 0.09 1.24 0.02 0.00 -0.96 0.00 0.00 56.93 57.33 3mdd s PHE 177 Cb -0.09 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 3mdd s PHE 177 CO -0.01 -0.33 -0.20 -1.17 -1.46 0.00 0.00 175.22 172.06 3mdd s LEU 178 N 2.53 1.98 -0.31 6.12 1.98 0.11 0.26 118.68 131.34 3mdd s LEU 178 Ca 0.38 -0.54 -0.11 0.00 -2.89 0.00 0.00 54.13 50.97 3mdd s LEU 178 Cb -0.16 -1.32 -0.02 0.00 0.66 0.00 0.00 46.19 45.35 3mdd s LEU 178 CO 0.10 0.07 0.20 -0.22 -1.89 0.00 0.00 176.35 174.60 3mdd s LEU 179 N 0.82 4.24 0.11 -0.68 2.96 -0.93 0.42 118.68 125.62 3mdd s LEU 179 Ca -0.08 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3mdd s LEU 179 Cb -0.16 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3mdd s LEU 179 CO -0.01 -0.17 -0.15 0.00 -1.32 0.00 0.00 176.35 174.71 3mdd s ALA 180 N 1.71 1.46 -0.26 5.97 0.00 -0.82 -4.83 121.76 124.98 3mdd s ALA 180 Ca 0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 3mdd s ALA 180 Cb -0.17 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3mdd s ALA 180 CO 0.09 0.14 1.09 0.50 0.00 0.00 0.00 175.76 177.58 3mdd s ARG 181 N -2.43 4.16 0.00 0.00 3.52 0.27 -1.62 118.95 122.86 3mdd s ARG 181 Ca 0.07 1.26 0.17 0.00 -0.13 0.00 0.00 55.73 57.10 3mdd s ARG 181 Cb -0.06 -3.70 -0.11 0.00 -1.56 0.00 0.00 34.95 29.52 3mdd s ARG 181 CO 0.03 -0.77 0.79 -1.13 -0.81 0.00 0.00 175.30 173.40 3mdd n SER 182 N 6.64 1.18 -4.10 -2.12 3.41 0.44 -1.90 113.62 117.16 3mdd n SER 182 Ca 0.12 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.31 3mdd n SER 182 Cb 0.46 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.05 3mdd n SER 182 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mdd s ASP 183 N -2.33 4.76 0.62 4.04 -1.08 -1.07 -4.93 116.67 116.68 3mdd s ASP 183 Ca 0.10 -1.57 0.39 0.00 -0.52 0.00 0.00 52.55 50.94 3mdd s ASP 183 Cb 0.13 -1.66 2.04 0.00 -1.46 0.00 0.00 42.92 41.98 3mdd s ASP 183 CO 0.58 -0.29 2.25 1.55 0.52 0.00 0.00 175.17 179.77 3mdd h PRO 184 N 7.85 0.00 -6.25 4.34 0.13 -1.91 -3.42 132.00 132.74 3mdd h PRO 184 Ca -0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.41 3mdd h PRO 184 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3mdd h PRO 184 CO 0.53 0.01 1.12 0.34 -0.23 0.00 0.00 178.00 179.77 3mdd s ASP 185 N -5.48 6.51 0.00 1.44 -1.08 -1.26 -4.83 116.67 111.97 3mdd s ASP 185 Ca -0.03 1.97 0.14 0.00 -0.52 0.00 0.00 52.55 54.11 3mdd s ASP 185 Cb 0.12 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.72 3mdd s ASP 185 CO 0.47 -1.09 1.41 -0.81 0.52 0.00 0.00 175.17 175.67 3mdd n PRO 186 N 7.39 0.12 -0.29 4.34 -0.04 -1.26 -1.64 135.00 143.61 3mdd n PRO 186 Ca 0.18 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3mdd n PRO 186 Cb 0.44 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.64 3mdd n PRO 186 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mdd n LYS 187 N -1.37 2.87 -2.78 0.54 5.02 -1.26 -4.97 118.16 116.21 3mdd n LYS 187 Ca 0.05 -2.38 -0.41 0.00 -2.02 0.00 0.00 58.31 53.55 3mdd n LYS 187 Cb 0.13 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 3mdd n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mdd s ALA 188 N -1.10 3.27 0.25 7.82 0.00 -0.65 -5.00 121.76 126.34 3mdd s ALA 188 Ca 0.36 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 3mdd s ALA 188 Cb 0.20 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 3mdd s ALA 188 CO 0.24 -0.01 1.60 -0.35 0.00 0.00 0.00 175.76 177.23 3mdd n PRO 189 N 2.81 2.56 -0.34 0.00 -0.04 -1.26 -4.77 135.00 133.97 3mdd n PRO 189 Ca 0.01 0.92 0.18 0.00 -0.04 0.00 0.00 63.50 64.57 3mdd n PRO 189 Cb 0.49 -2.69 0.41 0.00 -0.04 0.00 0.00 33.50 31.67 3mdd n PRO 189 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mdd h ALA 190 N 5.30 1.91 0.00 0.55 0.00 -1.96 0.36 119.26 125.42 3mdd h ALA 190 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3mdd h ALA 190 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mdd h ALA 190 CO 0.84 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3mdd n SER 191 N -4.76 0.02 0.00 0.00 3.41 -1.26 -2.95 113.62 108.09 3mdd n SER 191 Ca 0.25 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3mdd n SER 191 Cb 0.73 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3mdd n SER 191 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3mdd n LYS 192 N -1.53 1.76 0.00 4.33 4.81 0.11 -4.73 118.16 122.91 3mdd n LYS 192 Ca 0.01 -0.02 0.13 0.00 -0.87 0.00 0.00 58.31 57.56 3mdd n LYS 192 Cb 0.03 -0.21 0.40 0.00 0.02 0.00 0.00 35.03 35.28 3mdd n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mdd n ALA 193 N -0.26 3.12 -2.46 3.14 0.00 -0.34 -4.25 120.51 119.47 3mdd n ALA 193 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 3mdd n ALA 193 Cb 0.02 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 3mdd n ALA 193 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3mdd s PHE 194 N -2.82 2.30 -0.01 0.00 0.08 -1.26 -0.42 117.98 115.85 3mdd s PHE 194 Ca 0.17 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.90 3mdd s PHE 194 Cb 0.18 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 3mdd s PHE 194 CO 0.60 0.65 -0.05 0.99 -0.10 0.00 0.00 175.22 177.30 3mdd s THR 195 N -2.23 0.44 -0.05 0.64 2.01 -0.64 -0.21 115.64 115.60 3mdd s THR 195 Ca 0.27 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 3mdd s THR 195 Cb -0.06 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 3mdd s THR 195 CO 0.13 0.14 0.31 -0.83 -0.69 0.00 0.00 174.62 173.68 3mdd s GLY 196 N 0.04 2.36 0.04 4.40 0.00 -1.26 -1.95 107.32 110.95 3mdd s GLY 196 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.37 3mdd s GLY 196 CO -0.00 -0.01 -0.07 -1.36 0.00 0.00 0.00 173.10 171.65 3mdd s PHE 197 N -0.97 0.62 -0.45 1.90 0.08 0.17 -2.61 117.98 116.71 3mdd s PHE 197 Ca 0.20 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 3mdd s PHE 197 Cb -0.15 -0.38 0.09 0.00 -0.57 0.00 0.00 43.02 42.01 3mdd s PHE 197 CO 0.10 -0.10 0.32 0.42 -0.10 0.00 0.00 175.22 175.86 3mdd s ILE 198 N -1.41 4.51 -0.17 0.64 1.01 -1.09 0.06 121.20 124.74 3mdd s ILE 198 Ca -0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 60.65 59.12 3mdd s ILE 198 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3mdd s ILE 198 CO 0.00 -0.59 -0.04 -0.69 0.00 0.00 0.00 174.94 173.62 3mdd s VAL 199 N 1.47 3.69 0.01 2.92 1.01 0.79 -4.89 120.40 125.41 3mdd s VAL 199 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3mdd s VAL 199 Cb -0.24 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3mdd s VAL 199 CO 0.03 0.47 0.98 -1.61 0.00 0.00 0.00 175.10 174.97 3mdd s GLU 200 N 0.70 4.57 0.45 2.72 2.02 -1.26 0.82 118.70 128.72 3mdd s GLU 200 Ca -0.02 1.43 0.16 0.00 0.02 0.00 0.00 54.97 56.55 3mdd s GLU 200 Cb -0.15 -3.45 1.10 0.00 0.10 0.00 0.00 34.13 31.73 3mdd s GLU 200 CO 0.02 -0.03 1.98 0.00 0.02 0.00 0.00 175.26 177.26 3mdd h ALA 201 N 6.67 2.10 0.00 5.21 0.00 -1.66 -2.19 119.26 129.39 3mdd h ALA 201 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mdd h ALA 201 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mdd h ALA 201 CO 0.75 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 3mdd n ASP 202 N -4.46 0.00 -4.73 0.00 5.75 -1.26 -4.79 116.55 107.06 3mdd n ASP 202 Ca 0.10 -0.34 -0.42 0.00 -0.01 0.00 0.00 54.79 54.12 3mdd n ASP 202 Cb 0.41 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3mdd n ASP 202 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3mdd s THR 203 N -2.42 2.16 0.11 2.12 2.01 -0.83 -4.90 115.64 113.89 3mdd s THR 203 Ca 0.32 0.12 -0.33 0.00 0.31 0.00 0.00 61.69 62.11 3mdd s THR 203 Cb 0.19 -3.08 -0.12 0.00 0.01 0.00 0.00 72.50 69.51 3mdd s THR 203 CO 0.41 0.01 1.75 -2.65 -0.69 0.00 0.00 174.62 173.45 3mdd n PRO 204 N 3.32 2.48 0.00 4.92 -0.02 -1.26 -2.61 135.00 141.82 3mdd n PRO 204 Ca 0.13 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3mdd n PRO 204 Cb 0.37 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3mdd n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdd n GLY 205 N 3.98 1.37 3.60 -1.23 0.00 -1.26 -4.50 105.19 107.14 3mdd n GLY 205 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3mdd n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mdd s VAL 206 N -2.03 5.03 -0.43 1.61 -7.23 -1.07 -0.85 120.40 115.42 3mdd s VAL 206 Ca 0.00 0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 60.84 3mdd s VAL 206 Cb 0.00 -3.89 0.09 0.00 0.56 0.00 0.00 36.38 33.14 3mdd s VAL 206 CO 0.00 -0.03 0.27 -1.10 -0.31 0.00 0.00 175.10 173.93 3mdd s GLN 207 N 2.39 2.47 -0.23 4.82 -1.52 0.89 -4.97 119.66 123.52 3mdd s GLN 207 Ca 0.21 -1.60 -0.29 0.00 -1.95 0.00 0.00 55.36 51.73 3mdd s GLN 207 Cb -0.15 -3.77 0.00 0.00 -0.22 0.00 0.00 33.01 28.87 3mdd s GLN 207 CO 0.11 -1.03 1.12 0.42 -0.25 0.00 0.00 175.29 175.65 3mdd s ILE 208 N 1.35 4.52 0.23 1.08 1.01 -1.26 -1.29 121.20 126.84 3mdd s ILE 208 Ca 0.04 1.82 -0.04 0.00 0.00 0.00 0.00 60.65 62.47 3mdd s ILE 208 Cb -0.24 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.06 3mdd s ILE 208 CO 0.00 -0.22 0.21 0.61 0.00 0.00 0.00 174.94 175.53 3mdd n GLY 209 N 3.53 -2.53 3.79 6.18 0.00 0.53 -5.02 105.19 111.67 3mdd n GLY 209 Ca 0.13 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 3mdd n GLY 209 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mdd s ARG 210 N -3.47 1.96 -0.18 1.61 1.70 -1.26 -4.81 118.95 114.50 3mdd s ARG 210 Ca 0.13 0.71 -0.26 0.00 -0.47 0.00 0.00 55.73 55.84 3mdd s ARG 210 Cb -0.01 -1.90 -0.01 0.00 -0.57 0.00 0.00 34.95 32.46 3mdd s ARG 210 CO 0.10 -1.73 0.88 0.21 -1.08 0.00 0.00 175.30 173.69 3mdd s LYS 211 N -5.10 4.29 0.32 3.89 2.20 -1.26 -4.31 119.74 119.78 3mdd s LYS 211 Ca 0.61 1.10 -0.27 0.00 -0.36 0.00 0.00 55.97 57.05 3mdd s LYS 211 Cb -0.15 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 3mdd s LYS 211 CO 0.55 -0.40 1.07 -1.21 -0.36 0.00 0.00 175.35 174.99 3mdd s GLU 212 N 2.40 4.48 -0.35 4.03 0.41 -0.58 -5.02 118.70 124.06 3mdd s GLU 212 Ca 0.40 1.67 -0.11 0.00 -0.41 0.00 0.00 54.97 56.52 3mdd s GLU 212 Cb -0.16 -2.95 0.01 0.00 -1.78 0.00 0.00 34.13 29.24 3mdd s GLU 212 CO 0.11 0.11 0.20 0.42 -0.49 0.00 0.00 175.26 175.61 3mdd s ILE 213 N -1.35 4.70 0.45 -1.63 -1.09 -1.26 -4.73 121.20 116.29 3mdd s ILE 213 Ca 0.49 -0.64 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 3mdd s ILE 213 Cb -0.28 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 3mdd s ILE 213 CO 0.35 -0.12 0.26 0.20 -1.23 0.00 0.00 174.94 174.41 3mdd s ASN 214 N 1.60 4.58 0.11 3.58 0.01 -1.26 -5.06 114.94 118.50 3mdd s ASN 214 Ca 0.03 -1.09 -0.17 0.00 -0.71 0.00 0.00 52.86 50.92 3mdd s ASN 214 Cb -0.18 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 3mdd s ASN 214 CO 0.07 -0.72 1.59 -0.03 -1.51 0.00 0.00 177.10 176.49 3mdd h MET 215 N 1.18 0.56 0.00 -0.60 1.85 -1.98 -3.45 114.93 112.48 3mdd h MET 215 Ca -0.41 -0.15 -0.38 0.00 -0.61 0.00 0.00 59.70 58.15 3mdd h MET 215 Cb 1.27 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 33.15 3mdd h MET 215 CO 0.65 0.64 -0.32 0.41 -0.40 0.00 0.00 176.91 177.89 3mdd n GLY 216 N -0.48 3.51 4.33 1.39 0.00 -1.25 -4.79 105.19 107.90 3mdd n GLY 216 Ca -0.02 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 3mdd n GLY 216 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mdd n GLN 217 N -0.63 -2.37 0.31 1.61 6.02 -1.26 -4.82 117.38 116.25 3mdd n GLN 217 Ca -0.04 0.30 0.21 0.00 -0.01 0.00 0.00 57.00 57.46 3mdd n GLN 217 Cb 0.42 -4.97 1.13 0.00 1.02 0.00 0.00 30.24 27.84 3mdd n GLN 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mdd h ARG 218 N -1.30 0.00 0.00 -1.09 3.08 -1.87 -1.87 114.38 111.33 3mdd h ARG 218 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3mdd h ARG 218 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3mdd h ARG 218 CO 0.82 0.00 -0.57 0.00 -1.07 0.00 0.00 179.97 179.15 3mdd s SER 220 N -3.36 7.29 -0.37 0.00 0.15 -0.71 -4.18 113.70 112.53 3mdd s SER 220 Ca 0.09 2.09 -0.24 0.00 0.70 0.00 0.00 55.95 58.60 3mdd s SER 220 Cb 0.16 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3mdd s SER 220 CO 0.71 -0.19 0.81 -0.62 1.20 0.00 0.00 173.24 175.15 3mdd s ASP 221 N -0.23 6.57 -0.11 5.45 2.15 -1.26 -5.00 116.67 124.25 3mdd s ASP 221 Ca 0.48 0.37 0.02 0.00 0.43 0.00 0.00 52.55 53.86 3mdd s ASP 221 Cb -0.29 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3mdd s ASP 221 CO 0.35 -0.77 -0.16 -0.89 -0.17 0.00 0.00 175.17 173.53 3mdd s THR 222 N 3.18 1.56 0.15 1.71 2.01 -1.26 0.12 115.64 123.12 3mdd s THR 222 Ca 0.33 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 3mdd s THR 222 Cb -0.13 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.97 3mdd s THR 222 CO 0.18 0.45 0.31 -0.13 -0.69 0.00 0.00 174.62 174.74 3mdd s ARG 223 N 0.87 1.13 0.00 4.92 0.52 -0.65 -1.53 118.95 124.20 3mdd s ARG 223 Ca -0.09 -1.05 -0.08 0.00 -0.52 0.00 0.00 55.73 53.99 3mdd s ARG 223 Cb -0.15 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 3mdd s ARG 223 CO 0.00 -0.42 0.29 0.20 0.02 0.00 0.00 175.30 175.40 3mdd s GLY 224 N -2.92 2.29 -0.01 -3.53 0.00 -1.26 0.19 107.32 102.07 3mdd s GLY 224 Ca 0.13 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.36 3mdd s GLY 224 CO -0.03 -0.27 -0.04 -0.42 0.00 0.00 0.00 173.10 172.33 3mdd s ILE 225 N -1.25 0.40 -0.08 0.90 1.01 0.39 -0.35 121.20 122.24 3mdd s ILE 225 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.76 3mdd s ILE 225 Cb -0.14 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3mdd s ILE 225 CO 0.14 0.14 -0.14 -0.69 0.00 0.00 0.00 174.94 174.39 3mdd s VAL 226 N 0.17 3.05 -0.25 2.92 1.01 -0.42 0.11 120.40 127.00 3mdd s VAL 226 Ca -0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3mdd s VAL 226 Cb -0.05 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3mdd s VAL 226 CO -0.00 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.23 3mdd s PHE 227 N -0.29 3.06 -0.25 5.22 0.40 0.23 -0.07 117.98 126.28 3mdd s PHE 227 Ca 0.02 -1.59 0.00 0.00 -0.60 0.00 0.00 56.93 54.76 3mdd s PHE 227 Cb -0.13 -2.05 0.04 0.00 0.51 0.00 0.00 43.02 41.40 3mdd s PHE 227 CO 0.03 -0.74 -0.08 -1.21 0.70 0.00 0.00 175.22 173.91 3mdd s GLU 228 N 1.31 2.59 -1.20 0.44 2.02 -0.03 -1.78 118.70 122.05 3mdd s GLU 228 Ca -0.00 -1.13 -0.14 0.00 0.02 0.00 0.00 54.97 53.72 3mdd s GLU 228 Cb -0.17 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3mdd s GLU 228 CO -0.05 -0.47 0.27 -0.25 0.02 0.00 0.00 175.26 174.78 3mdd n ASP 229 N 4.58 -1.16 -4.65 -0.19 8.00 -1.09 -4.36 116.55 117.68 3mdd n ASP 229 Ca -0.16 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 3mdd n ASP 229 Cb 0.45 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 3mdd n ASP 229 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mdd s VAL 230 N -3.98 4.84 -0.23 2.53 1.01 -0.86 -4.84 120.40 118.86 3mdd s VAL 230 Ca 0.20 1.62 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 3mdd s VAL 230 Cb -0.11 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3mdd s VAL 230 CO 0.85 -0.05 0.56 -0.13 0.00 0.00 0.00 175.10 176.33 3mdd s ARG 231 N 2.63 4.13 -0.14 2.72 0.52 -1.26 -0.26 118.95 127.30 3mdd s ARG 231 Ca 0.37 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 3mdd s ARG 231 Cb -0.16 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.72 3mdd s ARG 231 CO 0.09 -0.29 -0.17 0.54 0.02 0.00 0.00 175.30 175.50 3mdd s VAL 232 N 2.09 1.69 0.32 3.52 0.11 0.10 -4.94 120.40 123.30 3mdd s VAL 232 Ca 0.24 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.27 3mdd s VAL 232 Cb -0.16 -1.54 -0.12 0.00 -1.53 0.00 0.00 36.38 33.03 3mdd s VAL 232 CO 0.09 0.48 1.46 -2.65 -3.33 0.00 0.00 175.10 171.15 3mdd n PRO 233 N 4.43 2.47 0.17 1.54 -0.02 -1.26 0.32 135.00 142.64 3mdd n PRO 233 Ca -0.19 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3mdd n PRO 233 Cb 0.51 -2.57 0.58 0.00 -0.02 0.00 0.00 33.50 32.00 3mdd n PRO 233 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3mdd n LYS 234 N 1.21 0.14 0.24 -0.52 -0.00 -1.07 0.30 118.16 118.46 3mdd n LYS 234 Ca 0.06 0.64 0.15 0.00 -0.00 0.00 0.00 58.31 59.16 3mdd n LYS 234 Cb 0.36 -1.98 0.56 0.00 -0.00 0.00 0.00 35.03 33.98 3mdd n LYS 234 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3mdd h GLU 235 N 0.00 0.00 -0.02 -1.58 4.81 -1.88 -2.80 114.58 113.12 3mdd h GLU 235 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3mdd h GLU 235 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3mdd h GLU 235 CO 0.00 0.00 -0.11 0.09 -0.73 0.00 0.00 179.01 178.26 3mdd n ASN 236 N -2.92 1.81 -4.71 1.04 5.03 0.15 -4.87 115.26 110.79 3mdd n ASN 236 Ca 0.02 -1.49 -0.42 0.00 0.87 0.00 0.00 54.58 53.55 3mdd n ASN 236 Cb 0.33 0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.14 3mdd n ASN 236 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mdd s VAL 237 N -2.16 4.07 0.00 2.41 1.01 -1.06 -2.69 120.40 121.99 3mdd s VAL 237 Ca 0.31 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3mdd s VAL 237 Cb 0.20 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3mdd s VAL 237 CO 0.39 0.09 0.18 0.18 0.00 0.00 0.00 175.10 175.95 3mdd n LEU 238 N 4.20 0.06 -0.09 3.92 4.32 -1.07 -4.61 117.00 123.73 3mdd n LEU 238 Ca 0.09 0.18 -0.14 0.00 -0.02 0.00 0.00 56.01 56.13 3mdd n LEU 238 Cb 0.46 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.12 3mdd n LEU 238 CO 0.56 0.00 -1.11 0.41 -1.22 0.00 0.00 177.39 176.02 3mdd n THR 239 N -0.19 1.50 0.00 -5.08 -1.04 -1.12 -4.57 114.28 103.78 3mdd n THR 239 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 3mdd n THR 239 Cb 0.00 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3mdd n THR 239 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mdd n GLY 240 N 1.95 1.21 3.69 3.41 0.00 -1.26 -5.04 105.19 109.15 3mdd n GLY 240 Ca -0.36 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3mdd n GLY 240 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mdd s GLU 241 N -2.00 4.22 0.00 1.61 2.12 -1.26 -2.50 118.70 120.88 3mdd s GLU 241 Ca 0.00 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.59 3mdd s GLU 241 Cb 0.00 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3mdd s GLU 241 CO 0.00 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 3mdd n GLY 242 N 3.91 0.58 1.23 -1.50 0.00 -0.71 -4.93 105.19 103.77 3mdd n GLY 242 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 3mdd n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdd n ALA 243 N -1.77 3.00 0.16 4.61 0.00 -0.97 -4.01 120.51 121.53 3mdd n ALA 243 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.17 3mdd n ALA 243 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 3mdd n ALA 243 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mdd h GLY 244 N 4.58 -0.40 0.86 0.00 0.00 -0.81 -2.90 103.07 104.40 3mdd h GLY 244 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3mdd h GLY 244 CO 0.19 -0.15 0.21 -2.75 0.00 0.00 0.00 176.54 174.04 3mdd h PHE 245 N -0.55 0.38 -0.75 5.60 3.57 -1.79 -1.75 116.94 121.66 3mdd h PHE 245 Ca -0.04 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3mdd h PHE 245 Cb 0.40 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3mdd h PHE 245 CO -0.01 0.21 0.49 -0.22 -2.23 0.00 0.00 178.31 176.55 3mdd h LYS 246 N 0.42 0.99 -0.21 1.11 3.64 -1.87 -0.19 116.57 120.46 3mdd h LYS 246 Ca 0.16 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3mdd h LYS 246 Cb 0.04 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3mdd h LYS 246 CO -0.09 0.66 -0.40 0.82 -2.27 0.00 0.00 179.45 178.17 3mdd h ILE 247 N 1.02 1.32 0.03 2.00 2.04 -1.24 -1.97 117.51 120.71 3mdd h ILE 247 Ca 0.27 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 3mdd h ILE 247 Cb -0.11 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3mdd h ILE 247 CO -0.06 0.50 -0.01 0.00 0.00 0.00 0.00 178.15 178.58 3mdd h ALA 248 N 0.61 -0.04 -0.55 1.87 0.00 -0.99 -2.14 119.26 118.02 3mdd h ALA 248 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3mdd h ALA 248 Cb 1.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3mdd h ALA 248 CO 0.09 -0.42 0.22 0.52 0.00 0.00 0.00 179.25 179.66 3mdd h MET 249 N -0.25 0.80 0.00 0.00 2.86 -1.11 -2.49 114.93 114.73 3mdd h MET 249 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3mdd h MET 249 Cb 0.24 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3mdd h MET 249 CO 0.01 0.65 -0.19 0.78 1.06 0.00 0.00 176.91 179.22 3mdd h GLY 250 N 0.92 0.00 1.49 8.32 0.00 -1.27 -3.14 103.07 109.38 3mdd h GLY 250 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3mdd h GLY 250 CO -0.02 0.00 -0.47 -0.84 0.00 0.00 0.00 176.54 175.21 3mdd h THR 251 N 0.00 1.31 -0.07 4.70 2.02 -0.91 -3.21 112.91 116.75 3mdd h THR 251 Ca -0.00 -1.67 -0.09 0.00 0.77 0.00 0.00 66.41 65.42 3mdd h THR 251 Cb 0.83 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3mdd h THR 251 CO 0.03 0.52 -0.36 -0.26 0.37 0.00 0.00 175.52 175.82 3mdd h PHE 252 N 0.44 0.16 -0.99 3.16 0.04 -1.52 -1.27 116.94 116.97 3mdd h PHE 252 Ca 0.03 -0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.88 3mdd h PHE 252 Cb 0.99 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 39.01 3mdd h PHE 252 CO 0.04 0.49 0.62 -0.44 -0.60 0.00 0.00 178.31 178.41 3mdd h ASP 253 N 0.12 0.91 0.63 2.17 5.19 -1.69 0.54 116.42 124.28 3mdd h ASP 253 Ca 0.01 0.05 -0.23 0.00 -0.62 0.00 0.00 57.03 56.24 3mdd h ASP 253 Cb 0.70 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 3mdd h ASP 253 CO 0.05 0.49 -1.52 0.11 -3.12 0.00 0.00 179.24 175.25 3mdd h LYS 254 N 0.98 0.00 0.03 3.56 1.57 -1.65 -3.40 116.57 117.67 3mdd h LYS 254 Ca 0.48 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.97 3mdd h LYS 254 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3mdd h LYS 254 CO -0.26 0.43 -1.62 1.15 -0.57 0.00 0.00 179.45 178.58 3mdd h THR 255 N 0.00 0.99 0.12 -0.16 2.02 -0.71 -3.41 112.91 111.76 3mdd h THR 255 Ca -0.22 -2.77 0.01 0.00 0.77 0.00 0.00 66.41 64.20 3mdd h THR 255 Cb 1.81 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 3mdd h THR 255 CO 0.07 0.65 -0.18 -0.09 0.37 0.00 0.00 175.52 176.34 3mdd h ARG 256 N 0.02 -0.35 -0.27 6.66 9.65 -0.14 -2.86 114.38 127.10 3mdd h ARG 256 Ca -0.26 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.71 3mdd h ARG 256 Cb 1.98 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 30.57 3mdd h ARG 256 CO 0.10 -0.23 -0.26 -1.35 2.80 0.00 0.00 179.97 181.03 3mdd h PRO 257 N -0.36 -0.25 -0.53 0.20 0.11 -1.79 -1.85 132.00 127.53 3mdd h PRO 257 Ca 0.02 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3mdd h PRO 257 Cb 0.37 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3mdd h PRO 257 CO -0.09 -0.17 0.35 -1.35 -0.21 0.00 0.00 178.00 176.54 3mdd h PRO 258 N -0.26 0.59 -0.16 1.05 0.11 -1.77 -0.69 132.00 130.86 3mdd h PRO 258 Ca 0.14 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 3mdd h PRO 258 Cb 0.48 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3mdd h PRO 258 CO -0.41 0.39 -0.51 -0.39 -0.21 0.00 0.00 178.00 176.86 3mdd h VAL 259 N 0.60 1.33 -0.74 3.15 -1.51 -1.18 -2.62 116.25 115.28 3mdd h VAL 259 Ca 0.21 -1.76 -0.04 0.00 -1.23 0.00 0.00 66.70 63.89 3mdd h VAL 259 Cb 0.10 1.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 3mdd h VAL 259 CO -0.06 0.54 0.31 0.00 -1.23 0.00 0.00 177.57 177.13 3mdd h ALA 260 N 1.10 1.15 -0.29 5.19 0.00 -0.38 -2.50 119.26 123.54 3mdd h ALA 260 Ca 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3mdd h ALA 260 Cb 1.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3mdd h ALA 260 CO 0.09 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.87 3mdd h ALA 261 N 1.27 1.31 -0.66 0.00 0.00 -0.91 -2.09 119.26 118.18 3mdd h ALA 261 Ca 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3mdd h ALA 261 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3mdd h ALA 261 CO -0.02 0.46 0.24 0.78 0.00 0.00 0.00 179.25 180.71 3mdd h GLY 262 N 0.88 1.04 0.70 0.00 0.00 -1.10 -0.56 103.07 104.04 3mdd h GLY 262 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3mdd h GLY 262 CO 0.02 0.53 -0.06 0.00 0.00 0.00 0.00 176.54 177.03 3mdd h ALA 263 N 1.31 0.16 0.00 3.60 0.00 -1.13 -1.50 119.26 121.69 3mdd h ALA 263 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mdd h ALA 263 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mdd h ALA 263 CO -0.02 -0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.51 3mdd n VAL 264 N -4.70 0.68 0.05 0.00 0.24 -0.95 -1.14 118.33 112.51 3mdd n VAL 264 Ca -0.06 0.06 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3mdd n VAL 264 Cb 0.28 -0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 31.68 3mdd n VAL 264 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3mdd h GLY 265 N 3.31 -0.17 1.90 7.63 0.00 -0.40 0.44 103.07 115.77 3mdd h GLY 265 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 3mdd h GLY 265 CO 0.00 -0.06 -0.33 -2.00 0.00 0.00 0.00 176.54 174.15 3mdd h LEU 266 N -0.65 0.12 -0.42 3.11 5.85 -1.06 -1.69 115.31 120.58 3mdd h LEU 266 Ca -0.02 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 3mdd h LEU 266 Cb 0.50 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3mdd h LEU 266 CO 0.03 0.45 -0.63 0.00 -0.34 0.00 0.00 178.44 177.95 3mdd h ALA 267 N 1.56 0.60 -0.38 1.25 0.00 -0.82 -1.18 119.26 120.30 3mdd h ALA 267 Ca 0.01 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 3mdd h ALA 267 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3mdd h ALA 267 CO 0.05 0.71 -0.24 0.37 0.00 0.00 0.00 179.25 180.13 3mdd h GLN 268 N 0.42 0.76 -0.14 0.00 5.75 0.57 -1.43 115.11 121.04 3mdd h GLN 268 Ca -0.01 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3mdd h GLN 268 Cb 1.20 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3mdd h GLN 268 CO 0.12 0.93 0.08 -0.09 -2.65 0.00 0.00 178.83 177.21 3mdd h ARG 269 N 0.66 0.19 -0.48 1.69 9.65 -0.81 -1.66 114.38 123.62 3mdd h ARG 269 Ca 0.09 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 3mdd h ARG 269 Cb 0.75 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 3mdd h ARG 269 CO 0.06 0.21 0.21 0.00 2.80 0.00 0.00 179.97 183.25 3mdd h ALA 270 N 0.98 0.60 -0.37 2.80 0.00 -0.99 -1.97 119.26 120.32 3mdd h ALA 270 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3mdd h ALA 270 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3mdd h ALA 270 CO -0.01 -0.16 0.18 1.25 0.00 0.00 0.00 179.25 180.51 3mdd h LEU 271 N 0.42 0.49 0.35 0.00 5.85 -1.08 -2.37 115.31 118.96 3mdd h LEU 271 Ca 0.22 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3mdd h LEU 271 Cb 0.17 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3mdd h LEU 271 CO -0.18 0.48 -0.18 0.44 -0.34 0.00 0.00 178.44 178.66 3mdd h ASP 272 N 0.46 -0.42 -0.13 1.25 3.32 -0.99 -0.87 116.42 119.04 3mdd h ASP 272 Ca 0.13 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3mdd h ASP 272 Cb 0.13 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3mdd h ASP 272 CO -0.02 -0.29 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.85 3mdd h GLU 273 N -0.48 0.01 -0.50 3.56 4.39 -1.40 0.15 114.58 120.31 3mdd h GLU 273 Ca -0.05 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3mdd h GLU 273 Cb 0.37 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3mdd h GLU 273 CO 0.07 0.00 0.26 0.00 -1.16 0.00 0.00 179.01 178.18 3mdd h ALA 274 N 1.12 0.63 -0.10 3.43 0.00 -1.37 -0.94 119.26 122.03 3mdd h ALA 274 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3mdd h ALA 274 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mdd h ALA 274 CO -0.12 -0.09 0.04 1.15 0.00 0.00 0.00 179.25 180.23 3mdd h THR 275 N 0.50 1.15 -0.46 0.00 2.02 -0.90 -1.11 112.91 114.11 3mdd h THR 275 Ca 0.22 -0.46 0.09 0.00 0.77 0.00 0.00 66.41 67.03 3mdd h THR 275 Cb 0.12 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 3mdd h THR 275 CO -0.15 0.13 0.02 0.11 0.37 0.00 0.00 175.52 176.01 3mdd h LYS 276 N -0.00 0.13 -0.08 6.66 1.57 -0.56 -2.02 116.57 122.28 3mdd h LYS 276 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3mdd h LYS 276 Cb 0.18 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3mdd h LYS 276 CO -0.00 0.09 0.01 -0.92 -0.57 0.00 0.00 179.45 178.06 3mdd h TYR 277 N 0.14 0.14 -0.52 -1.35 3.20 -1.08 -2.91 116.97 114.59 3mdd h TYR 277 Ca 0.23 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.23 3mdd h TYR 277 Cb 0.34 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3mdd h TYR 277 CO -0.28 0.36 0.44 0.00 -1.64 0.00 0.00 178.16 177.03 3mdd h ALA 278 N 0.77 2.35 -0.40 1.82 0.00 -0.78 0.10 119.26 123.12 3mdd h ALA 278 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mdd h ALA 278 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3mdd h ALA 278 CO 0.00 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.83 3mdd n LEU 279 N -4.05 3.96 0.00 0.00 4.32 -0.80 -2.07 117.00 118.37 3mdd n LEU 279 Ca 0.10 -2.01 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 3mdd n LEU 279 Cb 0.65 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3mdd n LEU 279 CO 0.33 0.53 0.00 1.21 -1.22 0.00 0.00 177.39 178.23 3mdd n GLU 280 N 0.50 0.00 -2.93 3.23 2.13 0.08 -5.05 120.64 118.60 3mdd n GLU 280 Ca 0.18 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.62 3mdd n GLU 280 Cb 0.82 -0.35 -0.06 0.00 0.27 0.00 0.00 31.44 32.12 3mdd n GLU 280 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3mdd s ARG 281 N -1.27 4.55 0.01 5.31 6.06 0.13 -5.01 118.95 128.73 3mdd s ARG 281 Ca 0.00 1.18 0.07 0.00 -2.50 0.00 0.00 55.73 54.48 3mdd s ARG 281 Cb 0.00 -3.08 -0.02 0.00 0.06 0.00 0.00 34.95 31.91 3mdd s ARG 281 CO 0.00 0.46 -0.22 0.15 -2.50 0.00 0.00 175.30 173.19 3mdd s LYS 282 N -1.53 1.67 -0.17 5.12 1.02 -1.26 -1.68 119.74 122.91 3mdd s LYS 282 Ca 0.41 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 3mdd s LYS 282 Cb -0.21 -1.68 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3mdd s LYS 282 CO 0.25 0.45 0.44 0.95 -0.92 0.00 0.00 175.35 176.52 3mdd s THR 283 N -0.62 -0.00 -1.50 2.17 -4.23 -0.07 -4.90 115.64 106.49 3mdd s THR 283 Ca 0.08 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 3mdd s THR 283 Cb -0.09 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.15 3mdd s THR 283 CO 0.00 0.00 0.38 0.49 -0.54 0.00 0.00 174.62 174.96 3mdd n PHE 284 N 3.01 -1.67 -0.96 3.99 3.72 -1.26 -1.72 117.46 122.57 3mdd n PHE 284 Ca -0.14 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3mdd n PHE 284 Cb 0.57 -3.92 0.00 0.00 -0.94 0.00 0.00 39.48 35.19 3mdd n PHE 284 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mdd n GLY 285 N -1.27 0.55 3.21 1.37 0.00 -1.26 -5.01 105.19 102.78 3mdd n GLY 285 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 3mdd n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mdd s LYS 286 N -0.33 0.94 0.58 1.61 1.02 -0.70 -5.12 119.74 117.74 3mdd s LYS 286 Ca 0.00 -1.21 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 3mdd s LYS 286 Cb 0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 3mdd s LYS 286 CO 0.00 0.12 1.32 1.28 -0.92 0.00 0.00 175.35 177.15 3mdd n LEU 287 N 0.50 5.58 -0.23 3.17 4.32 -1.26 -0.89 117.00 128.18 3mdd n LEU 287 Ca -0.15 0.93 0.01 0.00 -0.02 0.00 0.00 56.01 56.78 3mdd n LEU 287 Cb 0.58 -1.56 0.13 0.00 -1.62 0.00 0.00 43.42 40.94 3mdd n LEU 287 CO 0.27 -0.77 1.04 -0.07 -1.22 0.00 0.00 177.39 176.64 3mdd h LEU 288 N 1.13 0.38 -2.34 2.23 4.07 -1.01 0.44 115.31 120.20 3mdd h LEU 288 Ca -0.51 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3mdd h LEU 288 Cb 1.32 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.07 3mdd h LEU 288 CO 0.56 0.21 0.09 0.00 -1.08 0.00 0.00 178.44 178.22 3mdd h ALA 289 N 1.43 1.09 -0.01 1.53 0.00 -1.72 -0.75 119.26 120.83 3mdd h ALA 289 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3mdd h ALA 289 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mdd h ALA 289 CO -0.29 -0.09 -0.11 0.39 0.00 0.00 0.00 179.25 179.16 3mdd n GLU 290 N -2.81 1.40 -3.38 0.00 1.02 0.14 -4.17 120.64 112.84 3mdd n GLU 290 Ca -0.02 -0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 55.83 3mdd n GLU 290 Cb 0.15 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 3mdd n GLU 290 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mdd s HIS 291 N -2.20 3.20 0.56 -0.32 3.76 -0.29 -4.94 115.29 115.06 3mdd s HIS 291 Ca 0.32 -0.26 0.38 0.00 -0.15 0.00 0.00 55.06 55.35 3mdd s HIS 291 Cb 0.20 -2.74 1.51 0.00 1.11 0.00 0.00 32.58 32.66 3mdd s HIS 291 CO 0.41 -0.57 1.68 0.37 -0.85 0.00 0.00 174.74 175.78 3mdd h GLN 292 N 8.60 0.00 -0.49 1.40 4.15 -1.85 0.31 115.11 127.23 3mdd h GLN 292 Ca -0.28 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.05 3mdd h GLN 292 Cb 1.13 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3mdd h GLN 292 CO 0.74 0.00 -0.07 0.78 -1.93 0.00 0.00 178.83 178.35 3mdd h GLY 293 N 0.00 0.93 0.63 2.39 0.00 -1.92 -1.20 103.07 103.91 3mdd h GLY 293 Ca 0.62 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3mdd h GLY 293 CO -0.01 0.64 -0.71 -2.22 0.00 0.00 0.00 176.54 174.24 3mdd h ILE 294 N 0.79 1.54 -0.93 2.60 1.08 -0.72 -2.92 117.51 118.94 3mdd h ILE 294 Ca 0.14 -2.49 0.10 0.00 -0.39 0.00 0.00 64.86 62.22 3mdd h ILE 294 Cb 0.58 3.18 -0.07 0.00 -3.07 0.00 0.00 36.82 37.44 3mdd h ILE 294 CO 0.04 0.70 0.59 0.77 -0.69 0.00 0.00 178.15 179.56 3mdd h SER 295 N -0.42 0.84 -0.39 1.72 4.64 -0.98 0.66 113.55 119.62 3mdd h SER 295 Ca -0.12 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 3mdd h SER 295 Cb 1.55 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3mdd h SER 295 CO 0.13 0.48 -0.35 -0.26 -0.87 0.00 0.00 176.83 175.97 3mdd h PHE 296 N 0.92 1.09 0.58 4.77 -1.00 -1.30 -1.69 116.94 120.30 3mdd h PHE 296 Ca 0.44 -0.32 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 3mdd h PHE 296 Cb 0.44 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.77 3mdd h PHE 296 CO -0.00 1.14 -0.28 1.25 -1.61 0.00 0.00 178.31 178.81 3mdd h LEU 297 N 0.73 -0.66 -1.21 1.54 5.85 -0.95 -1.39 115.31 119.22 3mdd h LEU 297 Ca 0.07 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3mdd h LEU 297 Cb 0.94 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3mdd h LEU 297 CO 0.09 -0.43 0.60 -0.07 -0.34 0.00 0.00 178.44 178.29 3mdd h LEU 298 N -0.84 0.71 -0.00 2.25 4.07 -0.93 0.08 115.31 120.65 3mdd h LEU 298 Ca -0.08 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 3mdd h LEU 298 Cb 0.62 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 3mdd h LEU 298 CO 0.13 0.33 0.00 0.00 -1.08 0.00 0.00 178.44 177.82 3mdd h ALA 299 N 1.60 0.00 -0.49 1.53 0.00 -0.99 0.39 119.26 121.30 3mdd h ALA 299 Ca 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3mdd h ALA 299 Cb 0.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3mdd h ALA 299 CO -0.25 -0.42 0.27 -0.44 0.00 0.00 0.00 179.25 178.42 3mdd h ASP 300 N -0.16 0.60 -0.24 0.00 3.32 -0.29 -0.21 116.42 119.46 3mdd h ASP 300 Ca 0.00 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3mdd h ASP 300 Cb 0.16 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3mdd h ASP 300 CO -0.00 0.52 -0.00 0.24 -1.72 0.00 0.00 179.24 178.27 3mdd h MET 301 N 0.65 0.07 -0.35 3.56 2.86 -0.89 -1.93 114.93 118.88 3mdd h MET 301 Ca 0.17 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3mdd h MET 301 Cb 0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3mdd h MET 301 CO -0.03 0.05 0.15 0.00 1.06 0.00 0.00 176.91 178.14 3mdd h ALA 302 N 1.21 0.42 -0.09 6.32 0.00 -0.45 -2.57 119.26 124.09 3mdd h ALA 302 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3mdd h ALA 302 Cb 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3mdd h ALA 302 CO -0.19 -0.24 -0.35 1.98 0.00 0.00 0.00 179.25 180.45 3mdd h MET 303 N 0.31 -0.44 -0.82 0.00 -1.53 -0.61 -2.74 114.93 109.10 3mdd h MET 303 Ca 0.16 0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.48 3mdd h MET 303 Cb 0.10 0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.20 3mdd h MET 303 CO -0.14 -0.29 0.52 0.87 0.14 0.00 0.00 176.91 178.01 3mdd h LYS 304 N -0.45 0.98 -0.21 0.39 1.57 -1.18 -1.58 116.57 116.08 3mdd h LYS 304 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mdd h LYS 304 Cb 0.58 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3mdd h LYS 304 CO -0.34 0.65 0.14 0.28 -0.57 0.00 0.00 179.45 179.60 3mdd h VAL 305 N 1.01 1.05 -0.74 0.50 2.07 -1.21 -0.86 116.25 118.06 3mdd h VAL 305 Ca 0.34 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 3mdd h VAL 305 Cb 0.04 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3mdd h VAL 305 CO -0.13 0.05 0.32 -0.33 0.02 0.00 0.00 177.57 177.51 3mdd h GLU 306 N 0.28 1.09 -0.35 1.57 4.39 -1.24 -0.60 114.58 119.72 3mdd h GLU 306 Ca 0.08 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3mdd h GLU 306 Cb -0.03 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3mdd h GLU 306 CO -0.02 0.88 0.07 -0.07 -1.16 0.00 0.00 179.01 178.71 3mdd h LEU 307 N 1.06 0.55 -0.46 1.33 4.07 -1.08 -2.46 115.31 118.31 3mdd h LEU 307 Ca 0.25 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3mdd h LEU 307 Cb 0.17 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 3mdd h LEU 307 CO -0.03 0.66 0.19 0.00 -1.08 0.00 0.00 178.44 178.19 3mdd h ALA 308 N 0.92 0.60 -0.03 1.53 0.00 -0.98 -2.34 119.26 118.96 3mdd h ALA 308 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mdd h ALA 308 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3mdd h ALA 308 CO 0.00 0.20 -0.23 -0.09 0.00 0.00 0.00 179.25 179.13 3mdd h ARG 309 N 0.61 -0.33 -0.65 0.00 2.43 -0.99 -1.86 114.38 113.59 3mdd h ARG 309 Ca 0.16 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3mdd h ARG 309 Cb 0.18 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3mdd h ARG 309 CO -0.01 -0.22 0.43 -0.07 -1.51 0.00 0.00 179.97 178.59 3mdd h LEU 310 N -0.34 0.59 -0.71 3.80 3.38 -1.32 -1.72 115.31 118.98 3mdd h LEU 310 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3mdd h LEU 310 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3mdd h LEU 310 CO -0.22 0.39 0.03 0.77 0.09 0.00 0.00 178.44 179.49 3mdd h SER 311 N 0.68 0.99 1.01 -0.43 4.64 -0.80 -1.49 113.55 118.15 3mdd h SER 311 Ca 0.28 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3mdd h SER 311 Cb 0.24 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3mdd h SER 311 CO -0.09 1.03 -0.42 0.00 -0.87 0.00 0.00 176.83 176.48 3mdd n TYR 312 N -4.19 0.59 0.07 4.77 0.18 -0.69 -2.25 117.16 115.64 3mdd n TYR 312 Ca 0.03 0.17 -0.13 0.00 1.88 0.00 0.00 57.90 59.86 3mdd n TYR 312 Cb 0.32 -0.70 -0.09 0.00 -0.38 0.00 0.00 39.34 38.50 3mdd n TYR 312 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3mdd h GLN 313 N 0.00 -0.17 -0.86 -3.48 4.20 -1.36 0.17 115.11 113.61 3mdd h GLN 313 Ca 0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.85 3mdd h GLN 313 Cb 0.71 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.45 3mdd h GLN 313 CO 0.00 0.16 0.47 -0.09 -0.67 0.00 0.00 178.83 178.69 3mdd h ARG 314 N -0.52 0.68 -0.05 1.46 9.65 -1.17 0.17 114.38 124.59 3mdd h ARG 314 Ca -0.02 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.64 3mdd h ARG 314 Cb 0.41 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3mdd h ARG 314 CO 0.03 0.45 -0.74 0.00 2.80 0.00 0.00 179.97 182.51 3mdd h ALA 315 N 1.53 0.62 -0.09 2.80 0.00 -0.95 -2.98 119.26 120.20 3mdd h ALA 315 Ca 0.45 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3mdd h ALA 315 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mdd h ALA 315 CO -0.32 0.79 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 3mdd h ALA 316 N 0.99 0.14 -0.17 0.00 0.00 0.44 -3.05 119.26 117.60 3mdd h ALA 316 Ca -0.03 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3mdd h ALA 316 Cb 1.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3mdd h ALA 316 CO 0.12 0.05 -0.07 2.35 0.00 0.00 0.00 179.25 181.70 3mdd h TRP 317 N -0.19 -0.17 -0.53 0.00 7.01 -0.79 -1.63 115.95 119.67 3mdd h TRP 317 Ca 0.01 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.13 3mdd h TRP 317 Cb 0.73 0.10 -0.10 0.00 -2.10 0.00 0.00 29.16 27.79 3mdd h TRP 317 CO 0.11 -0.12 -0.16 1.49 -2.79 0.00 0.00 178.44 176.97 3mdd h GLU 318 N -0.05 -0.04 -0.26 2.65 4.57 -1.56 0.16 114.58 120.05 3mdd h GLU 318 Ca 0.09 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 3mdd h GLU 318 Cb 0.18 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3mdd h GLU 318 CO -0.20 -0.03 -0.46 0.97 -1.18 0.00 0.00 179.01 178.12 3mdd h ILE 319 N -0.04 1.30 0.00 2.32 6.09 -1.40 -2.49 117.51 123.28 3mdd h ILE 319 Ca 0.25 -1.65 -0.04 0.00 -1.37 0.00 0.00 64.86 62.05 3mdd h ILE 319 Cb 0.42 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 3mdd h ILE 319 CO -0.56 0.53 -0.19 0.44 -3.07 0.00 0.00 178.15 175.30 3mdd h ASP 320 N 0.54 0.00 0.07 2.19 3.32 -0.28 -0.51 116.42 121.75 3mdd h ASP 320 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3mdd h ASP 320 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3mdd h ASP 320 CO 0.09 0.19 0.00 -1.20 -1.72 0.00 0.00 179.24 176.60 3mdd n SER 321 N -4.08 0.00 -0.86 6.45 7.64 0.45 -4.89 113.62 118.33 3mdd n SER 321 Ca -0.02 -0.85 -0.04 0.00 1.01 0.00 0.00 58.87 58.97 3mdd n SER 321 Cb 0.26 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 3mdd n SER 321 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mdd n GLY 322 N 0.97 0.60 3.12 0.23 0.00 -0.20 -5.06 105.19 104.84 3mdd n GLY 322 Ca 0.22 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 3mdd n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mdd s ARG 323 N -4.97 0.91 0.07 1.61 0.52 -0.97 -5.04 118.95 111.07 3mdd s ARG 323 Ca 0.07 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 3mdd s ARG 323 Cb -0.03 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.45 3mdd s ARG 323 CO 0.09 0.22 1.72 0.50 0.02 0.00 0.00 175.30 177.85 3mdd s ARG 324 N -1.02 4.18 -0.09 3.54 3.52 -1.26 -3.55 118.95 124.28 3mdd s ARG 324 Ca 0.01 2.40 0.13 0.00 -0.13 0.00 0.00 55.73 58.15 3mdd s ARG 324 Cb -0.07 -3.68 0.41 0.00 -1.56 0.00 0.00 34.95 30.05 3mdd s ARG 324 CO 0.01 -0.79 1.33 0.27 -0.81 0.00 0.00 175.30 175.32 3mdd n ASN 325 N 5.91 3.39 -0.36 -2.12 6.94 -1.26 -4.82 115.26 122.93 3mdd n ASN 325 Ca 0.17 -2.49 0.04 0.00 -0.02 0.00 0.00 54.58 52.28 3mdd n ASN 325 Cb 0.40 -0.38 0.11 0.00 -2.36 0.00 0.00 39.78 37.55 3mdd n ASN 325 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3mdd h THR 326 N 1.91 0.01 0.23 5.53 2.02 -1.91 0.34 112.91 121.05 3mdd h THR 326 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mdd h THR 326 Cb 1.07 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3mdd h THR 326 CO 0.11 0.00 -0.19 0.22 0.37 0.00 0.00 175.52 176.02 3mdd h TYR 327 N -0.00 -0.51 -0.54 3.16 3.20 -1.92 -1.28 116.97 119.07 3mdd h TYR 327 Ca 0.44 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.20 3mdd h TYR 327 Cb 0.68 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3mdd h TYR 327 CO -0.79 -0.29 -0.09 1.88 -1.64 0.00 0.00 178.16 177.22 3mdd h TYR 328 N -0.44 1.11 -0.02 -3.82 0.05 -1.59 -2.35 116.97 109.91 3mdd h TYR 328 Ca -0.01 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.46 3mdd h TYR 328 Cb 0.40 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3mdd h TYR 328 CO -0.13 1.03 -0.41 0.00 -1.05 0.00 0.00 178.16 177.60 3mdd h ALA 329 N 0.98 1.28 -0.05 3.88 0.00 -0.29 -2.07 119.26 122.98 3mdd h ALA 329 Ca 0.14 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3mdd h ALA 329 Cb 0.65 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mdd h ALA 329 CO 0.05 0.53 -0.69 0.77 0.00 0.00 0.00 179.25 179.91 3mdd h SER 330 N 0.04 0.69 -0.18 0.00 0.02 -1.11 -1.90 113.55 111.10 3mdd h SER 330 Ca 0.00 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.28 3mdd h SER 330 Cb 0.75 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3mdd h SER 330 CO 0.06 1.29 0.02 0.40 -1.14 0.00 0.00 176.83 177.46 3mdd h ILE 331 N 0.15 0.90 0.12 3.27 2.04 -1.25 -0.13 117.51 122.61 3mdd h ILE 331 Ca -0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3mdd h ILE 331 Cb 1.35 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3mdd h ILE 331 CO 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 3mdd h ALA 332 N 1.14 -0.16 -0.31 1.87 0.00 -1.42 0.19 119.26 120.58 3mdd h ALA 332 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mdd h ALA 332 Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3mdd h ALA 332 CO -0.12 -0.53 0.19 -0.22 0.00 0.00 0.00 179.25 178.57 3mdd h LYS 333 N -0.27 0.42 0.25 0.00 3.11 -1.26 0.05 116.57 118.87 3mdd h LYS 333 Ca -0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 3mdd h LYS 333 Cb 0.22 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 3mdd h LYS 333 CO 0.03 0.31 -0.12 0.00 -2.81 0.00 0.00 179.45 176.85 3mdd h ALA 334 N 1.09 -0.34 -0.02 5.00 0.00 -0.96 -2.17 119.26 121.87 3mdd h ALA 334 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mdd h ALA 334 Cb -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mdd h ALA 334 CO -0.02 -0.63 0.00 -0.92 0.00 0.00 0.00 179.25 177.68 3mdd h TYR 335 N -0.45 0.04 -0.91 0.00 3.20 -0.54 -2.80 116.97 115.50 3mdd h TYR 335 Ca -0.03 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3mdd h TYR 335 Cb 0.34 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3mdd h TYR 335 CO -0.03 0.33 0.60 0.00 -1.64 0.00 0.00 178.16 177.42 3mdd h ALA 336 N 0.71 1.41 -0.62 1.82 0.00 -1.06 -1.58 119.26 119.93 3mdd h ALA 336 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3mdd h ALA 336 Cb 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mdd h ALA 336 CO 0.00 0.50 0.19 0.00 0.00 0.00 0.00 179.25 179.94 3mdd h ALA 337 N 1.46 0.81 0.42 0.00 0.00 -1.37 -1.40 119.26 119.19 3mdd h ALA 337 Ca 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mdd h ALA 337 Cb -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3mdd h ALA 337 CO -0.11 0.49 -0.20 -0.44 0.00 0.00 0.00 179.25 178.99 3mdd h ASP 338 N 0.89 -0.48 0.09 0.00 3.32 -1.17 -3.03 116.42 116.05 3mdd h ASP 338 Ca 0.20 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3mdd h ASP 338 Cb 0.30 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3mdd h ASP 338 CO -0.01 -0.11 -0.11 0.16 -1.72 0.00 0.00 179.24 177.45 3mdd h ILE 339 N -0.90 1.10 -0.97 0.35 -0.00 -1.32 -0.84 117.51 114.93 3mdd h ILE 339 Ca -0.06 -0.47 0.05 0.00 -0.00 0.00 0.00 64.86 64.38 3mdd h ILE 339 Cb 0.56 1.20 -0.06 0.00 -0.00 0.00 0.00 36.82 38.52 3mdd h ILE 339 CO 0.10 0.14 0.63 0.00 -0.00 0.00 0.00 178.15 179.01 3mdd h ALA 340 N 1.84 1.30 -0.15 0.16 0.00 -1.25 0.61 119.26 121.76 3mdd h ALA 340 Ca 0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3mdd h ALA 340 Cb 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3mdd h ALA 340 CO 0.02 0.47 -0.63 -0.91 0.00 0.00 0.00 179.25 178.20 3mdd h ASN 341 N 1.18 0.82 -0.28 0.00 4.21 -1.06 -2.49 115.58 117.96 3mdd h ASN 341 Ca 0.40 -0.62 -0.07 0.00 1.21 0.00 0.00 56.30 57.22 3mdd h ASN 341 Cb 0.07 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 3mdd h ASN 341 CO -0.14 1.30 -0.10 1.56 -1.29 0.00 0.00 177.43 178.76 3mdd h GLN 342 N 0.39 0.56 -0.72 0.81 4.20 -0.90 -2.99 115.11 116.45 3mdd h GLN 342 Ca -0.03 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 3mdd h GLN 342 Cb 1.26 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 3mdd h GLN 342 CO 0.13 0.78 0.27 -0.07 -0.67 0.00 0.00 178.83 179.27 3mdd h LEU 343 N 0.30 1.01 -1.13 1.46 4.07 -0.96 -1.42 115.31 118.65 3mdd h LEU 343 Ca 0.07 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 3mdd h LEU 343 Cb 0.59 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 3mdd h LEU 343 CO 0.03 0.92 0.10 0.00 -1.08 0.00 0.00 178.44 178.42 3mdd h ALA 344 N 1.13 1.30 0.03 1.53 0.00 -1.46 0.27 119.26 122.05 3mdd h ALA 344 Ca 0.24 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3mdd h ALA 344 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mdd h ALA 344 CO -0.02 0.49 -0.99 0.00 0.00 0.00 0.00 179.25 178.74 3mdd h THR 345 N 0.69 1.60 0.00 0.00 1.03 -1.35 -2.91 112.91 111.98 3mdd h THR 345 Ca 0.15 -3.07 -0.13 0.00 -0.01 0.00 0.00 66.41 63.35 3mdd h THR 345 Cb 0.28 2.73 -0.02 0.00 -1.07 0.00 0.00 68.15 70.06 3mdd h THR 345 CO -0.00 0.88 -0.62 0.44 -0.01 0.00 0.00 175.52 176.21 3mdd h ASP 346 N 0.04 0.00 -0.18 0.00 3.32 -0.88 -2.21 116.42 116.51 3mdd h ASP 346 Ca -0.04 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 3mdd h ASP 346 Cb 1.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.25 3mdd h ASP 346 CO 0.14 0.62 -0.53 0.00 -1.72 0.00 0.00 179.24 177.76 3mdd h ALA 347 N 1.38 0.31 -0.64 3.45 0.00 -0.96 -1.69 119.26 121.10 3mdd h ALA 347 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3mdd h ALA 347 Cb 1.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3mdd h ALA 347 CO 0.08 0.51 0.27 0.28 0.00 0.00 0.00 179.25 180.39 3mdd h VAL 348 N 0.37 1.22 -0.07 0.00 2.07 -1.48 -2.67 116.25 115.69 3mdd h VAL 348 Ca -0.02 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3mdd h VAL 348 Cb 1.15 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3mdd h VAL 348 CO 0.11 0.27 0.04 -0.61 0.02 0.00 0.00 177.57 177.40 3mdd h GLN 349 N 0.92 0.09 -0.47 1.57 5.75 -1.26 -2.74 115.11 118.97 3mdd h GLN 349 Ca 0.22 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.72 3mdd h GLN 349 Cb 0.16 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3mdd h GLN 349 CO -0.02 0.12 0.31 0.28 -2.65 0.00 0.00 178.83 176.88 3mdd h VAL 350 N 0.03 1.12 0.00 2.39 2.07 -0.98 -1.72 116.25 119.16 3mdd h VAL 350 Ca 0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3mdd h VAL 350 Cb 0.06 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3mdd h VAL 350 CO -0.00 0.12 0.00 -0.26 0.02 0.00 0.00 177.57 177.44 3mdd h PHE 351 N 0.64 0.00 0.00 1.57 -1.00 -1.29 -3.47 116.94 113.38 3mdd h PHE 351 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3mdd h PHE 351 Cb -0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.50 3mdd h PHE 351 CO -0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3mdd n GLY 352 N 0.61 2.59 0.32 -1.45 0.00 -0.65 -2.70 105.19 103.92 3mdd n GLY 352 Ca 0.04 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.74 3mdd n GLY 352 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mdd h GLY 353 N 0.00 0.23 1.70 -0.02 0.00 -1.90 -2.00 103.07 101.08 3mdd h GLY 353 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 3mdd h GLY 353 CO 0.00 0.06 -0.36 3.43 0.00 0.00 0.00 176.54 179.66 3mdd h ASN 354 N 0.18 0.35 -0.14 0.19 -0.26 -1.87 -3.03 115.58 111.01 3mdd h ASN 354 Ca 0.15 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 3mdd h ASN 354 Cb 0.36 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3mdd h ASN 354 CO -0.02 0.69 0.04 1.23 -1.06 0.00 0.00 177.43 178.31 3mdd h GLY 355 N 1.13 0.32 1.81 2.83 0.00 -1.40 -0.70 103.07 107.06 3mdd h GLY 355 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3mdd h GLY 355 CO 0.06 0.14 -0.11 0.33 0.00 0.00 0.00 176.54 176.96 3mdd n PHE 356 N -4.40 0.24 -3.46 5.60 7.35 -1.15 -3.53 117.46 118.11 3mdd n PHE 356 Ca 0.00 0.07 -0.38 0.00 -0.76 0.00 0.00 57.45 56.38 3mdd n PHE 356 Cb 0.15 -0.57 -0.06 0.00 0.35 0.00 0.00 39.48 39.35 3mdd n PHE 356 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3mdd s ASN 357 N -3.41 6.82 0.15 -2.13 3.84 -0.27 -4.98 114.94 114.95 3mdd s ASN 357 Ca 0.12 0.97 0.20 0.00 0.21 0.00 0.00 52.86 54.36 3mdd s ASN 357 Cb 0.17 -2.26 0.83 0.00 -0.55 0.00 0.00 41.25 39.43 3mdd s ASN 357 CO 0.58 0.28 1.61 0.41 -2.79 0.00 0.00 177.10 177.19 3mdd n THR 358 N 2.05 0.91 1.21 -5.21 -1.04 -1.26 -2.46 114.28 108.47 3mdd n THR 358 Ca -0.13 0.24 0.13 0.00 -2.04 0.00 0.00 64.05 62.25 3mdd n THR 358 Cb 0.52 -1.10 0.39 0.00 -1.82 0.00 0.00 70.33 68.33 3mdd n THR 358 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3mdd n GLU 359 N -1.93 0.63 -4.13 -2.82 4.07 -1.26 -4.82 120.64 110.38 3mdd n GLU 359 Ca 0.03 -0.35 -0.30 0.00 -0.06 0.00 0.00 57.16 56.48 3mdd n GLU 359 Cb 0.20 -1.49 -0.08 0.00 -0.06 0.00 0.00 31.44 30.01 3mdd n GLU 359 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3mdd s TYR 360 N -2.61 2.98 -1.69 4.31 1.51 -1.03 -5.06 117.35 115.76 3mdd s TYR 360 Ca 0.22 -0.03 0.27 0.00 -1.01 0.00 0.00 57.07 56.52 3mdd s TYR 360 Cb 0.19 -1.53 1.47 0.00 -0.11 0.00 0.00 41.96 41.98 3mdd s TYR 360 CO 0.55 0.48 1.93 -0.35 -1.11 0.00 0.00 175.55 177.05 3mdd n PRO 361 N 0.56 0.60 -0.03 -1.71 -0.04 -1.26 -4.30 135.00 128.81 3mdd n PRO 361 Ca -0.11 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 3mdd n PRO 361 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 3mdd n PRO 361 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3mdd n VAL 362 N -1.15 1.24 -0.22 0.52 0.24 -1.26 -4.10 118.33 113.60 3mdd n VAL 362 Ca 0.16 -0.75 -0.03 0.00 -2.04 0.00 0.00 64.34 61.68 3mdd n VAL 362 Cb 0.16 -0.65 0.16 0.00 -1.47 0.00 0.00 33.84 32.04 3mdd n VAL 362 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3mdd h GLU 363 N 0.00 1.01 -0.71 7.34 -0.00 -1.74 -1.92 114.58 118.56 3mdd h GLU 363 Ca -0.31 -0.15 0.04 0.00 -0.00 0.00 0.00 59.36 58.94 3mdd h GLU 363 Cb 1.86 -0.18 -0.05 0.00 -0.00 0.00 0.00 28.75 30.38 3mdd h GLU 363 CO 0.04 0.80 0.44 -0.22 -0.00 0.00 0.00 179.01 180.07 3mdd h LYS 364 N 1.00 0.81 -0.87 1.06 3.64 -1.84 -1.16 116.57 119.21 3mdd h LYS 364 Ca 0.24 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3mdd h LYS 364 Cb 0.15 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3mdd h LYS 364 CO -0.03 0.54 0.57 -0.07 -2.27 0.00 0.00 179.45 178.19 3mdd h LEU 365 N 0.84 0.96 -0.68 5.20 4.07 -1.54 0.49 115.31 124.65 3mdd h LEU 365 Ca 0.29 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.17 3mdd h LEU 365 Cb 0.07 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 3mdd h LEU 365 CO -0.13 0.68 0.16 -0.03 -1.08 0.00 0.00 178.44 178.05 3mdd h MET 366 N 1.13 1.10 -0.27 1.13 4.05 -0.54 -1.24 114.93 120.30 3mdd h MET 366 Ca 0.33 -0.27 -0.16 0.00 -0.28 0.00 0.00 59.70 59.33 3mdd h MET 366 Cb -0.07 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.59 3mdd h MET 366 CO -0.09 0.98 -0.45 0.00 0.23 0.00 0.00 176.91 177.58 3mdd h ARG 367 N 1.03 0.77 -0.09 0.39 3.08 -0.69 -3.34 114.38 115.54 3mdd h ARG 367 Ca 0.21 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3mdd h ARG 367 Cb 0.37 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3mdd h ARG 367 CO 0.00 1.10 0.02 -0.44 -1.07 0.00 0.00 179.97 179.58 3mdd h ASP 368 N 0.52 0.13 -0.26 7.04 3.32 -0.80 -3.31 116.42 123.07 3mdd h ASP 368 Ca 0.02 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 56.90 3mdd h ASP 368 Cb 1.05 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3mdd h ASP 368 CO 0.10 0.34 0.27 0.00 -1.72 0.00 0.00 179.24 178.23 3mdd h ALA 369 N 0.79 1.94 -0.33 3.45 0.00 -1.34 -3.19 119.26 120.58 3mdd h ALA 369 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mdd h ALA 369 Cb 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mdd h ALA 369 CO 0.00 -0.40 0.17 -0.22 0.00 0.00 0.00 179.25 178.80 3mdd h LYS 370 N 0.00 0.45 0.00 0.00 1.63 -1.71 -2.95 116.57 113.99 3mdd h LYS 370 Ca 0.12 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3mdd h LYS 370 Cb 0.66 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3mdd h LYS 370 CO -0.00 0.34 -0.13 -0.84 -3.45 0.00 0.00 179.45 175.37 3mdd h ILE 371 N 0.46 1.08 -0.14 2.00 -0.00 -1.81 -2.68 117.51 116.41 3mdd h ILE 371 Ca 0.12 -0.44 0.04 0.00 -0.00 0.00 0.00 64.86 64.58 3mdd h ILE 371 Cb 0.03 1.24 -0.01 0.00 -0.00 0.00 0.00 36.82 38.08 3mdd h ILE 371 CO -0.02 0.13 0.18 1.88 -0.00 0.00 0.00 178.15 180.31 3mdd h TYR 372 N 0.00 0.00 -0.01 0.16 0.05 -1.77 0.24 116.97 115.64 3mdd h TYR 372 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mdd h TYR 372 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 3mdd h TYR 372 CO 0.00 0.00 -0.14 1.04 -1.05 0.00 0.00 178.16 178.01 3mdd n GLN 373 N -3.68 1.31 0.02 4.88 6.02 -1.01 -4.59 117.38 120.33 3mdd n GLN 373 Ca 0.01 -0.81 -0.00 0.00 -0.01 0.00 0.00 57.00 56.18 3mdd n GLN 373 Cb 0.29 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 3mdd n GLN 373 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3mdd n ILE 374 N -0.14 0.61 -1.90 5.09 5.41 0.57 -1.27 119.36 127.73 3mdd n ILE 374 Ca 0.15 0.21 -0.33 0.00 1.00 0.00 0.00 62.75 63.78 3mdd n ILE 374 Cb 0.37 -1.35 0.03 0.00 -0.71 0.00 0.00 39.64 37.98 3mdd n ILE 374 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3mdd s TYR 375 N -1.53 2.69 -1.17 1.39 1.13 0.36 -2.37 117.35 117.85 3mdd s TYR 375 Ca -0.02 1.54 -0.07 0.00 -1.41 0.00 0.00 57.07 57.12 3mdd s TYR 375 Cb 0.00 -3.16 -0.03 0.00 -1.10 0.00 0.00 41.96 37.67 3mdd s TYR 375 CO 0.02 -1.57 0.84 0.39 -2.51 0.00 0.00 175.55 172.72 3mdd n GLU 376 N -2.13 -3.42 -1.27 -3.49 -0.58 -1.26 -4.52 120.64 103.96 3mdd n GLU 376 Ca 0.10 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 3mdd n GLU 376 Cb 0.52 -5.25 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 3mdd n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mdd n GLY 377 N -1.42 -2.84 3.24 0.62 0.00 -1.25 -5.03 105.19 98.50 3mdd n GLY 377 Ca -0.18 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3mdd n GLY 377 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mdd n THR 378 N 0.02 0.00 -0.25 2.61 -2.24 -1.00 -4.65 114.28 108.77 3mdd n THR 378 Ca 0.00 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 3mdd n THR 378 Cb 0.00 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 67.67 3mdd n THR 378 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mdd h ALA 379 N -2.29 0.91 0.15 6.98 0.00 -1.48 -2.35 119.26 121.19 3mdd h ALA 379 Ca -0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3mdd h ALA 379 Cb 1.27 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3mdd h ALA 379 CO 0.35 0.29 -0.07 1.96 0.00 0.00 0.00 179.25 181.78 3mdd h GLN 380 N 0.93 -0.20 -0.95 0.00 7.50 -1.90 -3.08 115.11 117.42 3mdd h GLN 380 Ca 0.27 0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.63 3mdd h GLN 380 Cb -0.07 0.05 -0.11 0.00 0.05 0.00 0.00 27.48 27.39 3mdd h GLN 380 CO -0.07 0.07 0.52 0.82 -1.50 0.00 0.00 178.83 178.67 3mdd h ILE 381 N -0.47 0.62 -0.87 2.54 5.03 -1.85 -0.18 117.51 122.33 3mdd h ILE 381 Ca -0.02 -0.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.51 3mdd h ILE 381 Cb 0.37 -0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.07 3mdd h ILE 381 CO 0.03 0.11 0.54 1.56 -0.68 0.00 0.00 178.15 179.71 3mdd h GLN 382 N 0.61 1.17 0.00 2.37 1.08 -1.34 -1.55 115.11 117.46 3mdd h GLN 382 Ca 0.56 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.62 3mdd h GLN 382 Cb 0.96 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3mdd h GLN 382 CO -0.43 0.81 -0.22 0.00 -0.95 0.00 0.00 178.83 178.04 3mdd h ARG 383 N 1.19 0.00 -0.09 1.46 2.47 -0.99 -0.36 114.38 118.06 3mdd h ARG 383 Ca 0.31 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.00 3mdd h ARG 383 Cb -0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3mdd h ARG 383 CO -0.06 0.22 -0.08 0.82 0.56 0.00 0.00 179.97 181.44 3mdd h ILE 384 N 0.00 1.35 0.36 2.04 2.04 -0.93 -1.15 117.51 121.22 3mdd h ILE 384 Ca -0.00 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 3mdd h ILE 384 Cb 0.54 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3mdd h ILE 384 CO 0.03 0.34 -0.17 0.40 0.00 0.00 0.00 178.15 178.74 3mdd h ILE 385 N -0.18 0.66 -0.15 -0.67 2.04 -0.95 -1.31 117.51 116.94 3mdd h ILE 385 Ca 0.02 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3mdd h ILE 385 Cb 0.57 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 3mdd h ILE 385 CO 0.02 0.03 -0.25 0.40 0.00 0.00 0.00 178.15 178.35 3mdd h ILE 386 N -0.57 0.40 -0.50 -0.67 2.04 -1.13 0.77 117.51 117.86 3mdd h ILE 386 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3mdd h ILE 386 Cb 0.42 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3mdd h ILE 386 CO 0.08 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.44 3mdd h ALA 387 N 0.64 0.62 -0.54 1.87 0.00 -1.16 0.14 119.26 120.83 3mdd h ALA 387 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mdd h ALA 387 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3mdd h ALA 387 CO -0.32 -0.17 0.26 -0.09 0.00 0.00 0.00 179.25 178.93 3mdd h ARG 388 N 0.41 0.78 -0.15 0.00 2.43 -0.67 -1.38 114.38 115.79 3mdd h ARG 388 Ca 0.23 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 3mdd h ARG 388 Cb 0.21 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3mdd h ARG 388 CO -0.21 0.64 -0.56 0.93 -1.51 0.00 0.00 179.97 179.25 3mdd h GLU 389 N 0.73 0.46 -0.18 0.20 4.39 -0.36 -2.72 114.58 117.10 3mdd h GLU 389 Ca 0.19 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 3mdd h GLU 389 Cb 0.11 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3mdd h GLU 389 CO -0.02 0.90 -0.42 1.25 -1.16 0.00 0.00 179.01 179.56 3mdd h HIS 390 N 0.35 0.76 -0.43 4.33 -0.00 -0.60 -3.17 115.15 116.39 3mdd h HIS 390 Ca 0.00 -0.29 -0.09 0.00 -0.00 0.00 0.00 60.37 60.00 3mdd h HIS 390 Cb 1.09 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.35 3mdd h HIS 390 CO 0.04 1.05 -0.09 0.82 -0.00 0.00 0.00 177.93 179.75 3mdd h ILE 391 N 0.26 1.25 -0.97 6.26 2.04 -1.29 -2.49 117.51 122.57 3mdd h ILE 391 Ca -0.00 -1.12 0.22 0.00 1.00 0.00 0.00 64.86 64.95 3mdd h ILE 391 Cb 1.02 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 3mdd h ILE 391 CO 0.09 0.39 0.63 1.23 0.00 0.00 0.00 178.15 180.48 3mdd h GLY 392 N 0.97 1.12 1.95 5.37 0.00 -1.45 0.54 103.07 111.56 3mdd h GLY 392 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3mdd h GLY 392 CO 0.03 -0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.07 3mdd n ARG 393 N -4.58 0.03 -1.35 4.80 1.74 -0.94 -2.27 116.66 114.09 3mdd n ARG 393 Ca 0.22 0.24 -0.21 0.00 -0.77 0.00 0.00 57.85 57.33 3mdd n ARG 393 Cb 0.73 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.78 3mdd n ARG 393 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mdd n TYR 394 N -1.47 2.38 -1.99 -1.55 4.02 0.19 -5.14 117.16 113.59 3mdd n TYR 394 Ca 0.04 -2.23 0.00 0.00 -0.01 0.00 0.00 57.90 55.70 3mdd n TYR 394 Cb 0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 3mdd n TYR 394 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48