#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdk n LEU 7 N 0.00 1.18 -4.51 0.55 7.94 -1.26 -4.77 117.00 116.14 3mdk n LEU 7 Ca 0.00 0.96 -0.30 0.00 -1.11 0.00 0.00 56.01 55.56 3mdk n LEU 7 Cb 0.00 -1.22 -0.11 0.00 0.53 0.00 0.00 43.42 42.62 3mdk n LEU 7 CO 0.00 -2.27 -0.47 0.00 -1.11 0.00 0.00 177.39 173.53 3mdk s ALA 8 N -1.38 2.75 -0.16 1.96 0.00 0.12 -0.95 121.76 124.10 3mdk s ALA 8 Ca 0.64 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3mdk s ALA 8 Cb -0.59 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 21.85 3mdk s ALA 8 CO 0.57 0.60 -0.03 0.00 0.00 0.00 0.00 175.76 176.90 3mdk s TYR 10 N 1.71 3.19 -0.04 0.00 2.02 0.21 -0.79 117.35 123.65 3mdk s TYR 10 Ca 0.01 1.27 -0.03 0.00 -0.37 0.00 0.00 57.07 57.95 3mdk s TYR 10 Cb -0.15 -3.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.05 3mdk s TYR 10 CO -0.07 -1.11 0.10 0.45 -1.57 0.00 0.00 175.55 173.35 3mdk s SER 11 N 1.48 -0.08 -0.42 2.29 0.15 -0.46 -1.39 113.70 115.27 3mdk s SER 11 Ca 0.53 0.21 -0.22 0.00 0.70 0.00 0.00 55.95 57.17 3mdk s SER 11 Cb -0.22 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 3mdk s SER 11 CO 0.18 -0.08 0.72 -0.62 1.20 0.00 0.00 173.24 174.63 3mdk s ASP 12 N 0.57 6.41 0.57 5.45 -1.08 -1.26 -0.64 116.67 126.68 3mdk s ASP 12 Ca -0.04 -0.07 0.28 0.00 -0.52 0.00 0.00 52.55 52.19 3mdk s ASP 12 Cb -0.06 -2.36 1.52 0.00 -1.46 0.00 0.00 42.92 40.57 3mdk s ASP 12 CO -0.02 -0.80 1.84 1.55 0.52 0.00 0.00 175.17 178.26 3mdk h PRO 13 N 8.80 0.00 0.00 4.34 0.13 -1.95 -1.68 132.00 141.64 3mdk h PRO 13 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3mdk h PRO 13 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mdk h PRO 13 CO 0.91 0.00 -1.64 0.00 -0.23 0.00 0.00 178.00 177.05 3mdk n ALA 14 N -1.84 3.36 -2.67 -0.56 0.00 -1.26 -4.22 120.51 113.31 3mdk n ALA 14 Ca -0.02 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3mdk n ALA 14 Cb 0.30 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 3mdk n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mdk s ASP 15 N -4.11 6.99 0.48 0.00 2.15 -0.63 -4.96 116.67 116.59 3mdk s ASP 15 Ca -0.03 1.22 0.13 0.00 0.43 0.00 0.00 52.55 54.30 3mdk s ASP 15 Cb 0.14 -2.47 1.13 0.00 -0.30 0.00 0.00 42.92 41.42 3mdk s ASP 15 CO 0.89 -0.43 2.12 1.12 -0.17 0.00 0.00 175.17 178.70 3mdk h HIS 16 N 7.33 0.17 -0.44 -5.34 2.07 -1.92 -0.50 115.15 116.52 3mdk h HIS 16 Ca -0.28 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.13 3mdk h HIS 16 Cb 1.13 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 31.03 3mdk h HIS 16 CO 0.72 0.11 -0.15 1.88 -3.07 0.00 0.00 177.93 177.42 3mdk h TYR 17 N 0.18 0.92 -0.37 6.12 0.05 -1.93 -1.72 116.97 120.22 3mdk h TYR 17 Ca 0.05 -0.19 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 3mdk h TYR 17 Cb -0.01 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3mdk h TYR 17 CO 0.00 0.92 -0.29 0.77 -1.05 0.00 0.00 178.16 178.51 3mdk h SER 18 N 0.74 0.83 -0.61 3.88 0.02 -1.63 -3.09 113.55 113.68 3mdk h SER 18 Ca 0.11 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 3mdk h SER 18 Cb 0.66 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 3mdk h SER 18 CO 0.05 1.06 0.24 -0.74 -1.14 0.00 0.00 176.83 176.31 3mdk h HIS 19 N 0.68 0.43 -0.74 3.45 -0.00 -0.67 -0.92 115.15 117.37 3mdk h HIS 19 Ca 0.08 0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.64 3mdk h HIS 19 Cb 0.83 -0.10 -0.14 0.00 -0.00 0.00 0.00 27.41 28.00 3mdk h HIS 19 CO 0.04 0.12 -0.11 0.00 -0.00 0.00 0.00 177.93 177.98 3mdk h ARG 20 N 0.43 0.03 0.02 5.26 3.08 -1.24 -0.46 114.38 121.51 3mdk h ARG 20 Ca 0.31 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.12 3mdk h ARG 20 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3mdk h ARG 20 CO -0.29 0.02 -0.99 0.28 -1.07 0.00 0.00 179.97 177.92 3mdk h VAL 21 N 0.03 1.40 -0.69 2.04 2.07 -1.34 -1.28 116.25 118.48 3mdk h VAL 21 Ca 0.38 -2.50 0.01 0.00 0.82 0.00 0.00 66.70 65.41 3mdk h VAL 21 Cb 0.62 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3mdk h VAL 21 CO -0.73 0.75 0.46 0.03 0.02 0.00 0.00 177.57 178.09 3mdk h ARG 22 N 0.23 0.90 -0.06 1.57 3.08 -0.67 -0.96 114.38 118.46 3mdk h ARG 22 Ca -0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3mdk h ARG 22 Cb 1.64 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 3mdk h ARG 22 CO 0.17 0.59 -0.05 1.25 -1.07 0.00 0.00 179.97 180.87 3mdk h LEU 23 N 0.92 0.15 -0.43 3.04 5.85 -0.94 0.36 115.31 124.27 3mdk h LEU 23 Ca 0.25 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3mdk h LEU 23 Cb -0.10 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3mdk h LEU 23 CO -0.06 0.58 0.16 0.58 -0.34 0.00 0.00 178.44 179.36 3mdk h VAL 24 N -0.27 0.88 -0.52 1.05 2.07 -1.08 0.83 116.25 119.21 3mdk h VAL 24 Ca 0.01 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3mdk h VAL 24 Cb 0.53 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3mdk h VAL 24 CO 0.01 0.06 0.21 -0.07 0.02 0.00 0.00 177.57 177.80 3mdk h LEU 25 N 0.34 0.23 -1.18 2.57 3.38 -1.08 -1.13 115.31 118.44 3mdk h LEU 25 Ca 0.20 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3mdk h LEU 25 Cb 0.17 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3mdk h LEU 25 CO -0.19 0.16 0.57 0.00 0.09 0.00 0.00 178.44 179.07 3mdk h ALA 26 N 1.33 1.50 -0.36 1.53 0.00 -0.28 -1.55 119.26 121.42 3mdk h ALA 26 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3mdk h ALA 26 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mdk h ALA 26 CO -0.23 0.39 -0.28 0.93 0.00 0.00 0.00 179.25 180.06 3mdk h GLU 27 N 1.03 0.76 0.00 0.00 4.39 0.10 -2.61 114.58 118.25 3mdk h GLU 27 Ca 0.36 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3mdk h GLU 27 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3mdk h GLU 27 CO -0.12 0.95 -0.06 1.63 -1.16 0.00 0.00 179.01 180.24 3mdk n LYS 28 N -4.09 0.07 -2.90 2.33 4.76 -0.52 -4.54 118.16 113.27 3mdk n LYS 28 Ca -0.00 0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.27 3mdk n LYS 28 Cb 0.46 -1.58 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 3mdk n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mdk n GLY 29 N 1.45 -0.51 3.84 0.72 0.00 -0.61 -4.82 105.19 105.26 3mdk n GLY 29 Ca 0.06 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3mdk n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mdk s VAL 30 N -3.09 4.77 -0.22 1.61 -7.23 -1.06 -5.01 120.40 110.18 3mdk s VAL 30 Ca 0.24 0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 61.07 3mdk s VAL 30 Cb -0.11 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.05 3mdk s VAL 30 CO 0.29 0.23 1.35 -0.55 -0.31 0.00 0.00 175.10 176.11 3mdk s SER 31 N -1.71 6.75 -0.01 4.85 0.15 -1.26 -4.81 113.70 117.66 3mdk s SER 31 Ca 0.39 1.53 0.02 0.00 0.70 0.00 0.00 55.95 58.59 3mdk s SER 31 Cb -0.15 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3mdk s SER 31 CO 0.20 -0.96 -0.07 0.54 1.20 0.00 0.00 173.24 174.15 3mdk s VAL 32 N 4.09 0.54 -0.47 4.45 0.11 -1.26 -4.06 120.40 123.80 3mdk s VAL 32 Ca 0.59 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 3mdk s VAL 32 Cb -0.21 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3mdk s VAL 32 CO 0.21 0.16 0.94 -1.58 -3.33 0.00 0.00 175.10 171.50 3mdk s GLN 33 N -0.08 3.53 -0.10 1.54 0.74 -0.13 -4.94 119.66 120.22 3mdk s GLN 33 Ca 0.02 0.15 -0.24 0.00 0.05 0.00 0.00 55.36 55.34 3mdk s GLN 33 Cb -0.04 -3.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 3mdk s GLN 33 CO -0.00 -1.26 0.74 -0.51 -0.55 0.00 0.00 175.29 173.71 3mdk s LEU 34 N 3.83 4.27 -0.31 3.68 1.43 -1.26 -0.61 118.68 129.72 3mdk s LEU 34 Ca 0.37 1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3mdk s LEU 34 Cb -0.10 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.03 3mdk s LEU 34 CO 0.26 -0.20 0.02 -0.63 0.23 0.00 0.00 176.35 176.02 3mdk s ILE 35 N 1.22 3.11 0.24 -0.59 1.01 0.03 -4.94 121.20 121.27 3mdk s ILE 35 Ca 0.38 -1.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 3mdk s ILE 35 Cb -0.18 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.42 3mdk s ILE 35 CO 0.17 -0.12 1.34 -1.81 0.00 0.00 0.00 174.94 174.51 3mdk s ASP 36 N 1.28 6.82 -0.10 3.58 1.01 -1.26 -1.35 116.67 126.66 3mdk s ASP 36 Ca -0.05 2.52 0.04 0.00 0.71 0.00 0.00 52.55 55.77 3mdk s ASP 36 Cb -0.20 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.11 3mdk s ASP 36 CO -0.00 -0.56 -0.24 0.68 0.21 0.00 0.00 175.17 175.26 3mdk s VAL 37 N -0.19 2.04 -0.21 -1.27 -7.23 0.19 -4.87 120.40 108.87 3mdk s VAL 37 Ca 0.56 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.47 3mdk s VAL 37 Cb -0.38 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3mdk s VAL 37 CO 0.42 0.56 0.79 -0.62 -0.31 0.00 0.00 175.10 175.94 3mdk s ASP 38 N 0.30 6.85 0.49 4.85 -1.08 -1.26 -4.39 116.67 122.43 3mdk s ASP 38 Ca -0.18 1.04 0.33 0.00 -0.52 0.00 0.00 52.55 53.23 3mdk s ASP 38 Cb -0.18 -2.42 1.81 0.00 -1.46 0.00 0.00 42.92 40.67 3mdk s ASP 38 CO 0.08 -0.42 2.02 -0.65 0.52 0.00 0.00 175.17 176.72 3mdk h PRO 39 N 7.52 0.00 0.00 4.34 0.11 -1.99 -0.11 132.00 141.86 3mdk h PRO 39 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3mdk h PRO 39 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3mdk h PRO 39 CO 0.84 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.53 3mdk h ALA 40 N 2.00 0.94 -2.77 -0.75 0.00 -2.02 -3.43 119.26 113.23 3mdk h ALA 40 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 3mdk h ALA 40 Cb 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 3mdk h ALA 40 CO 0.00 0.12 -0.80 -1.01 0.00 0.00 0.00 179.25 177.57 3mdk s HIS 41 N -3.21 0.64 -0.26 0.00 3.76 -0.06 -5.11 115.29 111.05 3mdk s HIS 41 Ca 0.06 -1.24 -0.23 0.00 -0.15 0.00 0.00 55.06 53.49 3mdk s HIS 41 Cb 0.06 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3mdk s HIS 41 CO 0.67 -0.83 0.78 -0.51 -0.85 0.00 0.00 174.74 174.00 3mdk s LEU 42 N 1.68 4.08 0.38 0.89 1.02 -1.26 -4.37 118.68 121.10 3mdk s LEU 42 Ca 0.12 0.87 -0.27 0.00 0.02 0.00 0.00 54.13 54.87 3mdk s LEU 42 Cb -0.19 -3.09 -0.11 0.00 0.02 0.00 0.00 46.19 42.83 3mdk s LEU 42 CO -0.23 -0.51 1.41 -0.81 0.02 0.00 0.00 176.35 176.23 3mdk n PRO 43 N 6.00 2.42 -0.33 1.29 -0.04 -1.26 -4.87 135.00 138.21 3mdk n PRO 43 Ca 0.04 0.85 0.01 0.00 -0.04 0.00 0.00 63.50 64.36 3mdk n PRO 43 Cb 0.48 -2.56 0.14 0.00 -0.04 0.00 0.00 33.50 31.53 3mdk n PRO 43 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3mdk h ARG 44 N 2.69 1.03 0.00 0.54 9.65 -1.99 -2.06 114.38 124.23 3mdk h ARG 44 Ca -0.49 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 3mdk h ARG 44 Cb 1.26 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3mdk h ARG 44 CO 0.63 0.68 0.00 0.87 2.80 0.00 0.00 179.97 184.95 3mdk h LYS 45 N 1.07 0.00 0.16 0.20 1.57 -2.00 -0.72 116.57 116.85 3mdk h LYS 45 Ca 0.39 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.86 3mdk h LYS 45 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3mdk h LYS 45 CO -0.16 0.00 -1.49 1.25 -0.57 0.00 0.00 179.45 178.48 3mdk h LEU 46 N 0.00 0.54 -1.25 2.94 5.85 -1.80 -3.30 115.31 118.28 3mdk h LEU 46 Ca 0.00 -0.91 0.07 0.00 0.84 0.00 0.00 57.88 57.89 3mdk h LEU 46 Cb 0.46 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3mdk h LEU 46 CO 0.00 1.68 0.54 0.00 -0.34 0.00 0.00 178.44 180.32 3mdk h ALA 47 N 0.05 1.63 -0.54 1.25 0.00 -0.76 -0.08 119.26 120.80 3mdk h ALA 47 Ca -0.30 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3mdk h ALA 47 Cb 1.93 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 3mdk h ALA 47 CO 0.14 0.23 0.36 0.93 0.00 0.00 0.00 179.25 180.91 3mdk h GLU 48 N 0.88 0.52 0.00 0.00 5.08 -1.23 -3.18 114.58 116.65 3mdk h GLU 48 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3mdk h GLU 48 Cb 0.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3mdk h GLU 48 CO -0.14 0.34 -0.75 1.33 -1.00 0.00 0.00 179.01 178.79 3mdk n VAL 49 N -4.47 0.00 -3.69 3.13 0.24 -0.85 -4.89 118.33 107.79 3mdk n VAL 49 Ca 0.07 -0.26 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 3mdk n VAL 49 Cb 0.21 0.79 -0.16 0.00 -1.47 0.00 0.00 33.84 33.21 3mdk n VAL 49 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3mdk s ASN 50 N -2.29 3.50 0.00 -1.34 3.84 -0.10 -4.94 114.94 113.62 3mdk s ASN 50 Ca 0.02 -1.26 0.15 0.00 0.21 0.00 0.00 52.86 51.98 3mdk s ASN 50 Cb 0.07 -0.65 0.66 0.00 -0.55 0.00 0.00 41.25 40.78 3mdk s ASN 50 CO 0.41 -0.38 1.48 -0.81 -2.79 0.00 0.00 177.10 175.01 3mdk n PRO 51 N 5.01 0.03 0.00 0.43 -0.04 -1.26 -1.47 135.00 137.70 3mdk n PRO 51 Ca -0.05 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3mdk n PRO 51 Cb 0.44 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.45 3mdk n PRO 51 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mdk n TYR 52 N -1.47 0.00 -3.35 0.54 4.01 -1.26 -4.98 117.16 110.65 3mdk n TYR 52 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 3mdk n TYR 52 Cb 0.17 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3mdk n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdk n GLY 53 N 1.42 -0.53 3.97 2.72 0.00 -0.54 -4.98 105.19 107.25 3mdk n GLY 53 Ca 0.09 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 3mdk n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mdk s SER 54 N -2.97 6.23 0.05 1.61 1.04 -1.26 -5.06 113.70 113.33 3mdk s SER 54 Ca 0.45 0.11 0.05 0.00 0.48 0.00 0.00 55.95 57.04 3mdk s SER 54 Cb -0.21 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 3mdk s SER 54 CO 0.55 -0.21 -0.14 0.68 0.98 0.00 0.00 173.24 175.11 3mdk s VAL 55 N -2.11 1.06 0.40 5.02 -7.23 -1.26 -4.27 120.40 112.01 3mdk s VAL 55 Ca 0.38 -1.07 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 3mdk s VAL 55 Cb -0.09 -0.99 -0.10 0.00 0.56 0.00 0.00 36.38 35.76 3mdk s VAL 55 CO 0.31 -0.08 0.89 -2.16 -0.31 0.00 0.00 175.10 173.76 3mdk s PRO 56 N -1.31 4.16 -0.07 4.82 0.04 -1.26 -4.66 135.00 136.72 3mdk s PRO 56 Ca -0.00 0.99 0.02 0.00 0.04 0.00 0.00 61.00 62.05 3mdk s PRO 56 Cb -0.08 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3mdk s PRO 56 CO 0.01 0.01 -0.11 0.99 0.04 0.00 0.00 177.00 177.95 3mdk s THR 57 N -2.14 1.05 -0.20 1.26 2.01 -0.49 -4.17 115.64 112.96 3mdk s THR 57 Ca 0.60 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 3mdk s THR 57 Cb -0.09 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 3mdk s THR 57 CO 0.15 0.34 0.12 -0.22 -0.69 0.00 0.00 174.62 174.31 3mdk s LEU 58 N 0.76 4.10 -0.05 4.42 2.96 0.95 -0.62 118.68 131.20 3mdk s LEU 58 Ca -0.13 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3mdk s LEU 58 Cb -0.15 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3mdk s LEU 58 CO 0.03 0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.36 3mdk s VAL 59 N 0.50 1.36 0.21 1.68 1.01 0.46 -1.12 120.40 124.50 3mdk s VAL 59 Ca 0.07 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3mdk s VAL 59 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3mdk s VAL 59 CO -0.00 0.40 0.07 -0.67 0.00 0.00 0.00 175.10 174.90 3mdk n ASP 60 N 3.25 1.10 -4.72 3.32 -0.08 -0.61 0.15 116.55 118.96 3mdk n ASP 60 Ca -0.19 -2.09 -0.42 0.00 -1.51 0.00 0.00 54.79 50.58 3mdk n ASP 60 Cb 0.53 0.51 -0.03 0.00 2.34 0.00 0.00 41.12 44.48 3mdk n ASP 60 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3mdk s ARG 61 N -2.78 4.16 0.00 -0.67 3.52 -1.26 -2.79 118.95 119.13 3mdk s ARG 61 Ca 0.10 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 3mdk s ARG 61 Cb 0.01 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 3mdk s ARG 61 CO 0.07 -0.67 0.00 -0.25 -0.81 0.00 0.00 175.30 173.65 3mdk n ASP 62 N 3.66 -3.64 -4.15 -2.12 8.00 -1.26 -4.94 116.55 112.11 3mdk n ASP 62 Ca 0.14 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 3mdk n ASP 62 Cb 0.37 -3.06 -0.17 0.00 -0.02 0.00 0.00 41.12 38.24 3mdk n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3mdk s LEU 63 N 0.00 1.95 -0.20 0.64 2.96 -1.12 -5.08 118.68 117.83 3mdk s LEU 63 Ca 0.00 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3mdk s LEU 63 Cb 0.00 -1.25 0.07 0.00 0.50 0.00 0.00 46.19 45.51 3mdk s LEU 63 CO 0.00 0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.23 3mdk s ALA 64 N 0.54 0.57 0.01 5.97 0.00 -1.26 -1.58 121.76 126.02 3mdk s ALA 64 Ca -0.15 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3mdk s ALA 64 Cb -0.17 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 3mdk s ALA 64 CO 0.05 -1.28 -0.16 -0.51 0.00 0.00 0.00 175.76 173.86 3mdk s LEU 65 N 2.08 2.68 0.00 0.00 1.43 -0.27 -4.97 118.68 119.62 3mdk s LEU 65 Ca 0.03 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3mdk s LEU 65 Cb -0.16 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3mdk s LEU 65 CO -0.15 0.28 0.30 0.00 0.23 0.00 0.00 176.35 177.01 3mdk n TYR 66 N 1.75 -1.03 -1.55 0.29 4.11 -1.26 -0.04 117.16 119.43 3mdk n TYR 66 Ca -0.16 -1.50 0.00 0.00 -0.00 0.00 0.00 57.90 56.24 3mdk n TYR 66 Cb 0.52 0.34 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 3mdk n TYR 66 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 3mdk n GLU 67 N -0.37 -3.41 -0.34 -3.48 0.00 -1.26 -4.42 120.64 107.36 3mdk n GLU 67 Ca 0.01 2.62 0.15 0.00 0.00 0.00 0.00 57.16 59.94 3mdk n GLU 67 Cb 0.37 -2.74 0.35 0.00 0.00 0.00 0.00 31.44 29.42 3mdk n GLU 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mdk h SER 68 N 2.66 0.68 0.41 4.31 4.64 -1.91 -1.52 113.55 122.82 3mdk h SER 68 Ca 0.00 0.12 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 3mdk h SER 68 Cb 0.00 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3mdk h SER 68 CO 0.00 0.15 -0.76 0.71 -0.87 0.00 0.00 176.83 176.07 3mdk h THR 69 N 0.63 1.42 -0.54 2.95 1.35 -1.97 -2.82 112.91 113.92 3mdk h THR 69 Ca 0.61 -2.28 -0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3mdk h THR 69 Cb 1.08 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 3mdk h THR 69 CO -0.45 0.67 0.33 0.58 -0.25 0.00 0.00 175.52 176.41 3mdk h VAL 70 N 0.19 1.16 0.00 6.82 2.07 -1.61 -1.55 116.25 123.33 3mdk h VAL 70 Ca -0.03 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3mdk h VAL 70 Cb 1.33 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3mdk h VAL 70 CO 0.12 0.17 0.00 0.52 0.02 0.00 0.00 177.57 178.40 3mdk n VAL 71 N -4.66 0.16 0.00 2.57 0.31 -0.64 -1.63 118.33 114.43 3mdk n VAL 71 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3mdk n VAL 71 Cb 0.05 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3mdk n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mdk n GLU 73 N 0.61 0.00 -0.10 5.55 1.02 -0.58 -1.09 120.64 126.04 3mdk n GLU 73 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3mdk n GLU 73 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.51 3mdk n GLU 73 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3mdk h TYR 74 N 0.00 0.52 -0.46 -0.32 3.20 -1.55 -1.86 116.97 116.51 3mdk h TYR 74 Ca 0.00 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.69 3mdk h TYR 74 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3mdk h TYR 74 CO 0.00 0.56 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.82 3mdk h LEU 75 N 0.34 0.91 -0.89 2.82 3.38 -1.38 0.19 115.31 120.69 3mdk h LEU 75 Ca 0.10 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.81 3mdk h LEU 75 Cb 0.30 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3mdk h LEU 75 CO 0.00 1.08 0.55 -0.08 0.09 0.00 0.00 178.44 180.08 3mdk h GLU 76 N 0.79 0.97 0.22 1.13 4.57 -1.81 -2.16 114.58 118.28 3mdk h GLU 76 Ca 0.11 -0.06 -0.32 0.00 -1.18 0.00 0.00 59.36 57.91 3mdk h GLU 76 Cb 0.73 -0.22 0.03 0.00 -0.16 0.00 0.00 28.75 29.13 3mdk h GLU 76 CO 0.06 0.64 -1.44 0.93 -1.18 0.00 0.00 179.01 178.02 3mdk h GLU 77 N 1.00 0.46 -0.35 1.92 5.08 -0.85 -3.33 114.58 118.51 3mdk h GLU 77 Ca 0.39 -0.78 -0.16 0.00 -1.00 0.00 0.00 59.36 57.81 3mdk h GLU 77 Cb 0.20 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3mdk h GLU 77 CO -0.18 1.37 -0.42 -0.09 -1.00 0.00 0.00 179.01 178.69 3mdk h ARG 78 N 0.12 0.88 -3.07 2.33 9.65 -0.63 -3.38 114.38 120.30 3mdk h ARG 78 Ca -0.23 -0.48 -0.62 0.00 -1.10 0.00 0.00 59.98 57.55 3mdk h ARG 78 Cb 2.11 0.03 -0.41 0.00 -1.39 0.00 0.00 29.97 30.31 3mdk h ARG 78 CO 0.25 1.13 -0.62 0.71 2.80 0.00 0.00 179.97 184.24 3mdk s TYR 79 N -4.32 3.28 -0.18 2.20 2.02 -0.82 -4.98 117.35 114.55 3mdk s TYR 79 Ca -0.10 -3.21 0.28 0.00 -0.37 0.00 0.00 57.07 53.66 3mdk s TYR 79 Cb 0.11 -2.56 1.24 0.00 -0.40 0.00 0.00 41.96 40.36 3mdk s TYR 79 CO 0.88 -0.60 1.83 -1.00 -1.57 0.00 0.00 175.55 175.09 3mdk h PRO 80 N 5.60 0.00 -5.12 -1.71 0.13 -1.75 -3.43 132.00 125.72 3mdk h PRO 80 Ca 0.12 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.60 3mdk h PRO 80 Cb 0.79 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.66 3mdk h PRO 80 CO 0.68 0.00 -0.72 -1.01 -0.23 0.00 0.00 178.00 176.72 3mdk s HIS 81 N -3.52 2.94 0.49 1.56 3.76 -1.26 -2.28 115.29 116.98 3mdk s HIS 81 Ca 0.02 -0.74 -0.15 0.00 -0.15 0.00 0.00 55.06 54.04 3mdk s HIS 81 Cb 0.09 -2.02 -0.07 0.00 1.11 0.00 0.00 32.58 31.68 3mdk s HIS 81 CO 0.40 -0.37 0.93 -1.25 -0.85 0.00 0.00 174.74 173.60 3mdk s PRO 82 N 1.02 3.89 0.23 8.40 0.04 -1.26 -4.74 135.00 142.58 3mdk s PRO 82 Ca 0.00 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 3mdk s PRO 82 Cb -0.15 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3mdk s PRO 82 CO -0.00 -0.22 1.35 -1.25 0.04 0.00 0.00 177.00 176.92 3mdk s PRO 83 N -4.04 4.35 -0.56 0.56 0.04 -0.97 -4.89 135.00 129.49 3mdk s PRO 83 Ca 0.57 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.78 3mdk s PRO 83 Cb -0.10 -3.15 0.40 0.00 0.04 0.00 0.00 34.50 31.69 3mdk s PRO 83 CO 0.32 -0.29 1.43 1.28 0.04 0.00 0.00 177.00 179.78 3mdk n LEU 84 N 2.32 5.69 -4.94 -3.56 4.77 -1.26 -4.76 117.00 115.25 3mdk n LEU 84 Ca 0.06 -5.03 -0.24 0.00 -0.03 0.00 0.00 56.01 50.76 3mdk n LEU 84 Cb 0.42 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3mdk n LEU 84 CO 0.59 2.06 0.17 -2.84 -1.33 0.00 0.00 177.39 176.03 3mdk s PRO 86 N -3.72 3.49 -0.01 3.23 0.02 -1.26 -0.62 135.00 136.13 3mdk s PRO 86 Ca 0.50 -0.34 0.09 0.00 0.02 0.00 0.00 61.00 61.27 3mdk s PRO 86 Cb 0.42 -2.67 -0.23 0.00 0.02 0.00 0.00 34.50 32.03 3mdk s PRO 86 CO -0.23 0.16 0.79 0.28 -0.33 0.00 0.00 177.00 177.67 3mdk h VAL 87 N 0.78 1.04 -3.43 3.83 2.07 -2.02 -3.42 116.25 115.11 3mdk h VAL 87 Ca -0.50 -2.84 -0.51 0.00 0.82 0.00 0.00 66.70 63.67 3mdk h VAL 87 Cb 1.22 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 3mdk h VAL 87 CO 0.61 0.64 -0.04 -0.31 0.02 0.00 0.00 177.57 178.50 3mdk s TYR 88 N -2.62 3.46 0.30 1.57 2.02 -1.26 -4.93 117.35 115.89 3mdk s TYR 88 Ca -0.05 0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 57.47 3mdk s TYR 88 Cb 0.08 -2.26 0.44 0.00 -0.40 0.00 0.00 41.96 39.83 3mdk s TYR 88 CO 0.82 0.09 1.96 -1.35 -1.57 0.00 0.00 175.55 175.50 3mdk h PRO 89 N 1.67 1.09 0.02 -1.71 0.11 -1.99 -1.71 132.00 129.48 3mdk h PRO 89 Ca -0.47 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3mdk h PRO 89 Cb 1.19 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3mdk h PRO 89 CO 0.66 0.72 -0.01 0.28 -0.21 0.00 0.00 178.00 179.44 3mdk h VAL 90 N 1.12 1.32 -0.57 3.15 2.07 -1.99 -1.63 116.25 119.73 3mdk h VAL 90 Ca 0.32 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3mdk h VAL 90 Cb -0.08 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3mdk h VAL 90 CO -0.08 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.89 3mdk h ALA 91 N 0.46 1.10 -0.54 1.67 0.00 -1.95 -1.13 119.26 118.87 3mdk h ALA 91 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3mdk h ALA 91 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3mdk h ALA 91 CO 0.01 0.59 0.33 0.00 0.00 0.00 0.00 179.25 180.17 3mdk h ARG 92 N 0.86 0.74 -0.69 0.00 3.08 -1.31 -0.19 114.38 116.87 3mdk h ARG 92 Ca 0.18 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.18 3mdk h ARG 92 Cb 0.37 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3mdk h ARG 92 CO 0.01 0.54 0.44 0.78 -1.07 0.00 0.00 179.97 180.67 3mdk h GLY 93 N 0.73 0.98 1.42 0.04 0.00 -1.08 0.10 103.07 105.26 3mdk h GLY 93 Ca 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3mdk h GLY 93 CO -0.04 0.31 0.02 3.43 0.00 0.00 0.00 176.54 180.27 3mdk h ASN 94 N 0.89 0.68 -0.46 0.19 -0.26 -0.93 -0.23 115.58 115.45 3mdk h ASN 94 Ca 0.26 -0.15 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 3mdk h ASN 94 Cb -0.04 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 3mdk h ASN 94 CO -0.08 0.74 -0.13 0.28 -1.06 0.00 0.00 177.43 177.18 3mdk h SER 95 N 0.68 0.91 -0.58 5.81 0.02 -0.51 -1.13 113.55 118.74 3mdk h SER 95 Ca 0.14 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3mdk h SER 95 Cb 0.39 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3mdk h SER 95 CO 0.01 1.07 -0.03 0.03 -1.14 0.00 0.00 176.83 176.77 3mdk h ARG 96 N 0.74 1.05 -0.47 3.45 3.08 -0.51 -2.95 114.38 118.77 3mdk h ARG 96 Ca 0.11 -0.35 0.02 0.00 0.07 0.00 0.00 59.98 59.83 3mdk h ARG 96 Cb 0.68 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3mdk h ARG 96 CO 0.05 1.05 0.28 1.25 -1.07 0.00 0.00 179.97 181.53 3mdk h LEU 97 N 0.95 0.46 -2.70 3.04 5.85 -0.96 -1.14 115.31 120.81 3mdk h LEU 97 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3mdk h LEU 97 Cb 0.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3mdk h LEU 97 CO 0.04 0.33 0.00 -0.11 -0.34 0.00 0.00 178.44 178.36 3mdk n LEU 98 N -4.81 0.93 0.00 2.25 7.94 -0.43 -0.86 117.00 122.01 3mdk n LEU 98 Ca 0.03 -0.44 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 3mdk n LEU 98 Cb 0.06 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3mdk n LEU 98 CO 0.33 0.17 0.00 1.57 -1.11 0.00 0.00 177.39 178.34 3mdk n HIS 100 N 1.28 0.00 -0.22 1.96 -0.00 -0.43 -0.84 115.22 116.96 3mdk n HIS 100 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 3mdk n HIS 100 Cb 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.14 3mdk n HIS 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mdk h ARG 101 N 0.00 0.97 -0.52 1.57 3.08 -1.28 -0.82 114.38 117.38 3mdk h ARG 101 Ca 0.00 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.89 3mdk h ARG 101 Cb 0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3mdk h ARG 101 CO 0.00 0.85 0.24 0.82 -1.07 0.00 0.00 179.97 180.82 3mdk h ILE 102 N 0.89 0.92 0.27 2.04 2.04 -1.25 -0.12 117.51 122.31 3mdk h ILE 102 Ca 0.20 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3mdk h ILE 102 Cb 0.29 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3mdk h ILE 102 CO -0.01 0.09 -0.25 -0.61 0.00 0.00 0.00 178.15 177.37 3mdk h GLN 103 N 0.47 -0.52 0.08 2.37 5.75 -1.69 -0.52 115.11 121.06 3mdk h GLN 103 Ca 0.23 0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 58.52 3mdk h GLN 103 Cb 0.17 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3mdk h GLN 103 CO -0.18 -0.35 -1.14 0.07 -2.65 0.00 0.00 178.83 174.58 3mdk h ARG 104 N -0.54 0.22 0.20 1.69 0.11 -1.05 -1.45 114.38 113.55 3mdk h ARG 104 Ca -0.01 -0.35 -0.32 0.00 0.10 0.00 0.00 59.98 59.40 3mdk h ARG 104 Cb 0.49 0.13 0.02 0.00 1.11 0.00 0.00 29.97 31.72 3mdk h ARG 104 CO -0.04 1.14 -1.44 -0.44 0.10 0.00 0.00 179.97 179.30 3mdk h ASP 105 N 0.08 0.65 0.00 0.08 3.32 -1.09 -3.39 116.42 116.06 3mdk h ASP 105 Ca -0.10 -0.73 -0.03 0.00 0.02 0.00 0.00 57.03 56.19 3mdk h ASP 105 Cb 1.85 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 3mdk h ASP 105 CO 0.18 1.58 -0.56 0.79 -1.72 0.00 0.00 179.24 179.51 3mdk n TRP 106 N -3.62 0.00 -0.34 4.55 8.01 -0.51 -4.48 117.44 121.04 3mdk n TRP 106 Ca -0.15 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.08 3mdk n TRP 106 Cb 1.07 -0.16 0.19 0.00 -2.01 0.00 0.00 31.31 30.40 3mdk n TRP 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mdk h ALA 108 N 1.47 1.11 -0.29 0.00 0.00 -1.46 0.63 119.26 120.73 3mdk h ALA 108 Ca 0.44 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3mdk h ALA 108 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3mdk h ALA 108 CO -0.21 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.50 3mdk h LEU 109 N 0.82 0.54 -1.01 0.00 3.38 -1.67 -2.34 115.31 115.02 3mdk h LEU 109 Ca 0.17 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3mdk h LEU 109 Cb 0.39 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3mdk h LEU 109 CO 0.01 0.76 0.65 0.00 0.09 0.00 0.00 178.44 179.95 3mdk h ALA 110 N 0.80 1.40 -0.48 1.53 0.00 -0.37 -2.50 119.26 119.64 3mdk h ALA 110 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3mdk h ALA 110 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3mdk h ALA 110 CO 0.02 0.45 0.08 -0.44 0.00 0.00 0.00 179.25 179.37 3mdk h ASP 111 N 1.18 0.69 -0.19 0.00 3.32 -0.69 -2.53 116.42 118.20 3mdk h ASP 111 Ca 0.43 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 3mdk h ASP 111 Cb 0.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3mdk h ASP 111 CO -0.17 0.70 -0.64 0.71 -1.72 0.00 0.00 179.24 178.12 3mdk h THR 112 N 0.71 1.28 -0.50 0.35 1.35 -1.00 -1.38 112.91 113.72 3mdk h THR 112 Ca 0.15 -1.84 0.07 0.00 -0.55 0.00 0.00 66.41 64.24 3mdk h THR 112 Cb 0.31 1.79 -0.06 0.00 -1.73 0.00 0.00 68.15 68.46 3mdk h THR 112 CO 0.00 0.59 0.17 0.58 -0.25 0.00 0.00 175.52 176.61 3mdk h VAL 113 N 0.59 0.82 0.00 6.82 2.07 -1.30 -3.17 116.25 122.09 3mdk h VAL 113 Ca -0.01 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3mdk h VAL 113 Cb 1.25 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3mdk h VAL 113 CO 0.14 0.06 -0.79 -0.07 0.02 0.00 0.00 177.57 176.93 3mdk h LEU 114 N 0.34 0.00 -9.32 2.57 3.38 -1.36 -3.45 115.31 107.46 3mdk h LEU 114 Ca 0.24 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.67 3mdk h LEU 114 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3mdk h LEU 114 CO -0.25 0.20 1.18 -0.62 0.09 0.00 0.00 178.44 179.04 3mdk s ASP 115 N -5.81 6.54 0.51 -0.43 -1.08 -0.53 -4.88 116.67 110.98 3mdk s ASP 115 Ca 0.01 2.50 0.33 0.00 -0.52 0.00 0.00 52.55 54.88 3mdk s ASP 115 Cb 0.08 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 3mdk s ASP 115 CO 0.76 -1.00 2.00 -0.65 0.52 0.00 0.00 175.17 176.80 3mdk h PRO 116 N 10.17 0.00 0.00 4.34 0.11 -1.89 -2.81 132.00 141.92 3mdk h PRO 116 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3mdk h PRO 116 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3mdk h PRO 116 CO 0.95 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.46 3mdk h ARG 117 N 0.00 0.00 -7.08 1.05 2.47 -1.94 -3.46 114.38 105.42 3mdk h ARG 117 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 3mdk h ARG 117 Cb 0.32 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.75 3mdk h ARG 117 CO 0.00 0.28 0.50 0.45 0.56 0.00 0.00 179.97 181.76 3mdk s SER 118 N -6.27 5.25 0.76 7.04 0.15 -1.06 -5.02 113.70 114.55 3mdk s SER 118 Ca 0.01 2.46 -0.11 0.00 0.70 0.00 0.00 55.95 59.01 3mdk s SER 118 Cb 0.10 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3mdk s SER 118 CO 0.66 -1.56 1.08 -0.94 1.20 0.00 0.00 173.24 173.68 3mdk s SER 119 N -1.45 4.81 0.42 5.45 1.04 -1.26 -4.95 113.70 117.76 3mdk s SER 119 Ca 0.76 1.43 0.19 0.00 0.48 0.00 0.00 55.95 58.81 3mdk s SER 119 Cb -0.32 -2.22 0.93 0.00 0.10 0.00 0.00 66.02 64.50 3mdk s SER 119 CO 0.36 -1.79 1.87 -0.33 0.98 0.00 0.00 173.24 174.33 3mdk h GLU 120 N -0.96 0.00 -0.11 4.02 4.39 -1.99 -2.73 114.58 117.20 3mdk h GLU 120 Ca -0.46 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.02 3mdk h GLU 120 Cb 1.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3mdk h GLU 120 CO 0.58 0.29 -0.81 0.00 -1.16 0.00 0.00 179.01 177.91 3mdk h ALA 121 N 1.71 0.36 -0.19 3.43 0.00 -2.00 -2.08 119.26 120.50 3mdk h ALA 121 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 3mdk h ALA 121 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3mdk h ALA 121 CO 0.04 0.71 -0.42 0.00 0.00 0.00 0.00 179.25 179.59 3mdk h ALA 122 N 0.65 0.93 -0.34 0.00 0.00 -1.91 -2.35 119.26 116.23 3mdk h ALA 122 Ca -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3mdk h ALA 122 Cb 1.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3mdk h ALA 122 CO 0.16 0.63 0.11 -0.09 0.00 0.00 0.00 179.25 180.06 3mdk h ARG 123 N 0.37 0.54 -0.55 0.00 2.43 -1.44 -2.17 114.38 113.56 3mdk h ARG 123 Ca 0.03 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3mdk h ARG 123 Cb 0.89 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3mdk h ARG 123 CO 0.07 0.57 0.31 1.15 -1.51 0.00 0.00 179.97 180.56 3mdk h THR 124 N 0.40 1.01 -0.25 0.20 2.02 -1.06 -2.00 112.91 113.24 3mdk h THR 124 Ca 0.11 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3mdk h THR 124 Cb 0.25 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3mdk h THR 124 CO -0.00 0.11 -0.23 -0.08 0.37 0.00 0.00 175.52 175.69 3mdk h GLU 125 N 0.60 0.60 -0.70 6.66 4.22 -1.42 -2.83 114.58 121.71 3mdk h GLU 125 Ca 0.23 -0.31 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 3mdk h GLU 125 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3mdk h GLU 125 CO -0.13 0.90 0.43 0.00 -2.18 0.00 0.00 179.01 178.03 3mdk h ALA 126 N 0.69 0.90 -0.03 2.92 0.00 -1.35 0.78 119.26 123.16 3mdk h ALA 126 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3mdk h ALA 126 Cb 0.78 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3mdk h ALA 126 CO 0.06 0.36 -0.10 -0.09 0.00 0.00 0.00 179.25 179.48 3mdk h ARG 127 N 0.96 -0.15 -0.49 0.00 2.43 -1.30 -1.13 114.38 114.70 3mdk h ARG 127 Ca 0.25 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3mdk h ARG 127 Cb -0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3mdk h ARG 127 CO -0.05 -0.10 0.22 -0.22 -1.51 0.00 0.00 179.97 178.31 3mdk h LYS 128 N -0.16 0.71 0.09 0.20 3.64 -1.22 0.61 116.57 120.43 3mdk h LYS 128 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3mdk h LYS 128 Cb 0.22 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3mdk h LYS 128 CO -0.13 0.61 -0.06 0.00 -2.27 0.00 0.00 179.45 177.60 3mdk h ALA 129 N 1.07 -0.14 -0.26 5.00 0.00 -0.76 -2.08 119.26 122.08 3mdk h ALA 129 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mdk h ALA 129 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mdk h ALA 129 CO -0.02 -0.58 0.12 1.25 0.00 0.00 0.00 179.25 180.02 3mdk h LEU 130 N -0.15 0.17 -0.38 0.00 5.85 -1.03 -1.87 115.31 117.88 3mdk h LEU 130 Ca -0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3mdk h LEU 130 Cb 0.14 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3mdk h LEU 130 CO -0.00 0.13 -0.30 -0.09 -0.34 0.00 0.00 178.44 177.83 3mdk h ARG 131 N 0.26 -0.23 -0.57 1.25 2.43 -0.70 -2.40 114.38 114.41 3mdk h ARG 131 Ca 0.11 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 3mdk h ARG 131 Cb 0.05 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3mdk h ARG 131 CO -0.09 -0.16 -0.06 0.93 -1.51 0.00 0.00 179.97 179.08 3mdk h GLU 132 N -0.24 1.06 -0.26 0.20 5.08 -1.10 -2.24 114.58 117.08 3mdk h GLU 132 Ca 0.17 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3mdk h GLU 132 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3mdk h GLU 132 CO -0.52 1.07 -0.03 0.77 -1.00 0.00 0.00 179.01 179.30 3mdk h SER 133 N 0.94 0.48 -0.93 1.42 0.02 -1.09 0.06 113.55 114.45 3mdk h SER 133 Ca 0.15 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3mdk h SER 133 Cb 0.63 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 3mdk h SER 133 CO 0.04 0.70 0.58 -0.07 -1.14 0.00 0.00 176.83 176.94 3mdk h LEU 134 N 0.25 1.11 -0.75 5.07 3.38 -1.44 -1.99 115.31 120.93 3mdk h LEU 134 Ca 0.07 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3mdk h LEU 134 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3mdk h LEU 134 CO 0.02 0.83 -0.53 0.74 0.09 0.00 0.00 178.44 179.59 3mdk h THR 135 N 1.28 1.36 -0.39 0.22 2.02 -1.04 -2.86 112.91 113.50 3mdk h THR 135 Ca 0.34 -1.82 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 3mdk h THR 135 Cb -0.09 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3mdk h THR 135 CO -0.07 0.54 -0.11 1.23 0.37 0.00 0.00 175.52 177.49 3mdk h GLY 136 N 1.39 0.82 1.29 2.16 0.00 -0.38 -3.11 103.07 105.23 3mdk h GLY 136 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3mdk h GLY 136 CO 0.08 0.63 -0.05 3.33 0.00 0.00 0.00 176.54 180.53 3mdk n VAL 137 N -4.34 0.00 -0.31 4.60 0.24 -0.80 -4.21 118.33 113.51 3mdk n VAL 137 Ca -0.01 -0.02 0.16 0.00 -2.04 0.00 0.00 64.34 62.43 3mdk n VAL 137 Cb 0.37 -0.34 0.35 0.00 -1.47 0.00 0.00 33.84 32.75 3mdk n VAL 137 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3mdk h SER 138 N 0.21 0.30 -0.59 -1.34 0.87 -1.43 0.69 113.55 112.26 3mdk h SER 138 Ca 0.00 0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.90 3mdk h SER 138 Cb 0.30 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3mdk h SER 138 CO 0.00 -0.08 0.42 -0.65 -0.53 0.00 0.00 176.83 175.99 3mdk h PRO 139 N 0.33 0.04 0.00 2.24 0.11 -1.83 -0.25 132.00 132.65 3mdk h PRO 139 Ca 0.61 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.71 3mdk h PRO 139 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mdk h PRO 139 CO -0.59 0.03 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.11 3mdk h LEU 140 N 0.04 0.00 0.00 2.35 4.07 -1.17 -2.26 115.31 118.34 3mdk h LEU 140 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3mdk h LEU 140 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3mdk h LEU 140 CO -0.01 0.05 0.00 0.49 -1.08 0.00 0.00 178.44 177.88 3mdk n PHE 141 N -4.33 0.00 0.16 1.13 3.72 -0.10 -2.24 117.46 115.80 3mdk n PHE 141 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 3mdk n PHE 141 Cb 0.13 -0.47 0.08 0.00 -0.94 0.00 0.00 39.48 38.29 3mdk n PHE 141 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3mdk h SER 142 N 0.00 0.00 0.78 4.37 0.02 -1.55 -3.37 113.55 113.80 3mdk h SER 142 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3mdk h SER 142 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3mdk h SER 142 CO 0.00 0.16 -1.31 -0.33 -1.14 0.00 0.00 176.83 174.21 3mdk h GLU 143 N 0.00 0.00 -4.23 3.45 5.08 -1.61 -3.47 114.58 113.80 3mdk h GLU 143 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 3mdk h GLU 143 Cb 1.14 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 3mdk h GLU 143 CO 0.02 0.23 -0.70 -0.06 -1.00 0.00 0.00 179.01 177.50 3mdk s PHE 144 N -3.01 0.46 0.23 4.33 0.08 -1.24 -5.03 117.98 113.80 3mdk s PHE 144 Ca -0.02 -0.68 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 3mdk s PHE 144 Cb 0.09 -0.31 0.25 0.00 -0.57 0.00 0.00 43.02 42.48 3mdk s PHE 144 CO 0.81 -0.21 1.63 0.00 -0.10 0.00 0.00 175.22 177.35 3mdk h ALA 145 N 4.13 0.91 -4.78 5.36 0.00 -1.86 -3.46 119.26 119.56 3mdk h ALA 145 Ca -0.34 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 53.87 3mdk h ALA 145 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3mdk h ALA 145 CO 0.49 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 180.19 3mdk n PHE 147 N -0.96 0.00 -0.28 0.00 7.35 -1.26 -4.75 117.46 117.56 3mdk n PHE 147 Ca -0.04 -0.59 0.04 0.00 -0.76 0.00 0.00 57.45 56.10 3mdk n PHE 147 Cb 0.31 -0.31 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 3mdk n PHE 147 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3mdk n SER 149 N 0.89 -1.62 -1.45 -2.13 3.41 -1.26 -4.84 113.62 106.61 3mdk n SER 149 Ca 0.00 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 3mdk n SER 149 Cb 0.44 -0.91 0.33 0.00 -0.26 0.00 0.00 64.21 63.80 3mdk n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mdk n ASP 150 N -2.74 4.26 -3.93 4.04 8.00 -1.26 -3.53 116.55 121.38 3mdk n ASP 150 Ca -0.01 -2.31 -0.18 0.00 0.71 0.00 0.00 54.79 53.00 3mdk n ASP 150 Cb 0.13 -0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 3mdk n ASP 150 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3mdk s GLU 151 N -1.64 0.64 0.24 -1.24 2.12 -1.26 -4.77 118.70 112.79 3mdk s GLU 151 Ca 0.47 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 3mdk s GLU 151 Cb 0.29 -0.64 -0.15 0.00 0.26 0.00 0.00 34.13 33.89 3mdk s GLU 151 CO 0.25 0.03 1.05 0.94 -0.54 0.00 0.00 175.26 176.99 3mdk n GLN 152 N 3.45 1.24 -4.03 4.30 -0.06 -1.26 -4.87 117.38 116.15 3mdk n GLN 152 Ca -0.19 0.44 -0.08 0.00 -2.00 0.00 0.00 57.00 55.17 3mdk n GLN 152 Cb 0.54 -1.84 -0.10 0.00 -4.06 0.00 0.00 30.24 24.79 3mdk n GLN 152 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3mdk s SER 153 N -0.37 0.39 0.58 1.69 0.15 -1.26 -4.34 113.70 110.54 3mdk s SER 153 Ca 0.64 -0.87 0.28 0.00 0.70 0.00 0.00 55.95 56.70 3mdk s SER 153 Cb -0.76 0.22 1.51 0.00 -1.71 0.00 0.00 66.02 65.27 3mdk s SER 153 CO 0.57 -0.59 1.96 -0.07 1.20 0.00 0.00 173.24 176.30 3mdk h LEU 154 N 3.22 0.00 -0.36 3.45 3.38 -1.24 0.25 115.31 124.02 3mdk h LEU 154 Ca -0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3mdk h LEU 154 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3mdk h LEU 154 CO 0.62 0.00 0.15 0.58 0.09 0.00 0.00 178.44 179.87 3mdk h VAL 155 N 0.00 0.94 -0.68 1.22 2.07 -1.88 -1.49 116.25 116.42 3mdk h VAL 155 Ca 0.20 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3mdk h VAL 155 Cb 1.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3mdk h VAL 155 CO -0.00 0.06 0.22 0.44 0.02 0.00 0.00 177.57 178.31 3mdk h ASP 156 N 0.31 0.96 -0.32 0.57 3.32 -1.30 -1.76 116.42 118.21 3mdk h ASP 156 Ca 0.16 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3mdk h ASP 156 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3mdk h ASP 156 CO -0.14 0.89 0.21 0.00 -1.72 0.00 0.00 179.24 178.49 3mdk h LEU 159 N 0.36 0.31 -1.46 0.00 5.85 -0.62 -3.37 115.31 116.39 3mdk h LEU 159 Ca -0.15 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.09 3mdk h LEU 159 Cb 1.76 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 3mdk h LEU 159 CO 0.22 0.76 0.39 -0.07 -0.34 0.00 0.00 178.44 179.39 3mdk h LEU 160 N -0.13 0.62 -1.36 2.25 3.38 -0.39 -0.62 115.31 119.07 3mdk h LEU 160 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3mdk h LEU 160 Cb 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3mdk h LEU 160 CO 0.03 0.44 -0.31 -0.65 0.09 0.00 0.00 178.44 178.04 3mdk h PRO 161 N 0.73 0.00 0.02 1.13 0.11 -1.76 0.62 132.00 132.85 3mdk h PRO 161 Ca 0.23 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 3mdk h PRO 161 Cb 0.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.14 3mdk h PRO 161 CO -0.06 0.31 -0.51 0.82 -0.21 0.00 0.00 178.00 178.36 3mdk h ILE 162 N 0.00 1.48 -0.53 4.15 1.08 -1.32 -3.15 117.51 119.23 3mdk h ILE 162 Ca -0.00 -2.11 0.05 0.00 -0.39 0.00 0.00 64.86 62.41 3mdk h ILE 162 Cb 0.60 2.74 -0.05 0.00 -3.07 0.00 0.00 36.82 37.05 3mdk h ILE 162 CO 0.04 0.60 0.25 -0.07 -0.69 0.00 0.00 178.15 178.28 3mdk h LEU 163 N -0.28 0.35 -1.50 1.44 3.38 -1.04 -0.03 115.31 117.64 3mdk h LEU 163 Ca -0.07 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.16 3mdk h LEU 163 Cb 1.26 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3mdk h LEU 163 CO 0.10 0.23 0.62 -0.25 0.09 0.00 0.00 178.44 179.23 3mdk h TRP 164 N 0.49 0.55 -0.14 1.13 2.91 -0.96 -2.33 115.95 117.59 3mdk h TRP 164 Ca 0.24 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.28 3mdk h TRP 164 Cb 0.18 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 3mdk h TRP 164 CO -0.11 0.12 0.00 0.54 -1.03 0.00 0.00 178.44 177.96 3mdk n ARG 165 N -4.52 1.83 -0.20 2.65 1.74 -0.04 -4.39 116.66 113.73 3mdk n ARG 165 Ca 0.21 -1.24 -0.00 0.00 -0.77 0.00 0.00 57.85 56.05 3mdk n ARG 165 Cb 0.75 -1.43 0.08 0.00 -1.02 0.00 0.00 32.46 30.84 3mdk n ARG 165 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3mdk h LEU 166 N 2.63 -0.37 -1.00 0.55 3.38 -1.25 -0.14 115.31 119.11 3mdk h LEU 166 Ca 0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3mdk h LEU 166 Cb 0.57 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3mdk h LEU 166 CO 0.00 -0.14 0.42 -0.65 0.09 0.00 0.00 178.44 178.15 3mdk h PRO 167 N 0.07 1.12 0.00 1.13 0.11 -1.77 -0.49 132.00 132.17 3mdk h PRO 167 Ca 0.30 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3mdk h PRO 167 Cb 0.48 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3mdk h PRO 167 CO -0.55 0.84 -0.31 -0.39 -0.21 0.00 0.00 178.00 177.37 3mdk h VAL 168 N 1.12 1.08 0.00 3.15 -1.51 -1.66 -1.95 116.25 116.48 3mdk h VAL 168 Ca 0.28 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3mdk h VAL 168 Cb 0.06 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3mdk h VAL 168 CO -0.04 0.31 0.00 0.18 -1.23 0.00 0.00 177.57 176.79 3mdk n LEU 169 N -3.96 0.00 -0.06 4.19 4.77 -0.15 -4.92 117.00 116.87 3mdk n LEU 169 Ca -0.02 0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 56.45 3mdk n LEU 169 Cb 0.38 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3mdk n LEU 169 CO 0.37 -0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 176.92 3mdk n GLY 170 N 0.83 0.36 3.27 -0.72 0.00 -0.31 -4.91 105.19 103.71 3mdk n GLY 170 Ca 0.06 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3mdk n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mdk s ILE 171 N -2.03 2.20 -0.05 -0.61 1.01 -0.73 -5.03 121.20 115.96 3mdk s ILE 171 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.71 3mdk s ILE 171 Cb 0.00 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 3mdk s ILE 171 CO 0.00 0.56 -0.22 -0.70 0.00 0.00 0.00 174.94 174.58 3mdk s GLU 172 N 0.04 2.50 0.19 2.79 2.12 -1.26 -4.16 118.70 120.91 3mdk s GLU 172 Ca -0.09 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.13 3mdk s GLU 172 Cb -0.15 -2.21 -0.08 0.00 0.26 0.00 0.00 34.13 31.94 3mdk s GLU 172 CO 0.06 0.46 0.80 -0.51 -0.54 0.00 0.00 175.26 175.53 3mdk s LEU 173 N -0.35 4.56 0.83 2.70 1.43 -1.26 -5.05 118.68 121.55 3mdk s LEU 173 Ca 0.02 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 3mdk s LEU 173 Cb -0.12 -3.42 0.09 0.00 0.03 0.00 0.00 46.19 42.77 3mdk s LEU 173 CO 0.02 0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.73 3mdk s PRO 174 N -1.30 1.71 0.61 1.29 0.04 -1.26 -4.88 135.00 131.21 3mdk s PRO 174 Ca 0.38 1.38 0.38 0.00 0.04 0.00 0.00 61.00 63.18 3mdk s PRO 174 Cb -0.23 -1.82 2.00 0.00 0.04 0.00 0.00 34.50 34.49 3mdk s PRO 174 CO 0.26 -2.09 2.24 -0.09 0.04 0.00 0.00 177.00 177.36 3mdk h ARG 175 N -1.39 0.00 0.00 4.56 9.65 -2.05 -1.21 114.38 123.94 3mdk h ARG 175 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3mdk h ARG 175 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 3mdk h ARG 175 CO 0.47 0.02 0.00 1.04 2.80 0.00 0.00 179.97 184.30 3mdk n GLN 176 N -3.27 0.12 -0.50 0.20 1.13 -1.26 -3.68 117.38 110.12 3mdk n GLN 176 Ca -0.02 0.26 -0.05 0.00 -1.94 0.00 0.00 57.00 55.25 3mdk n GLN 176 Cb 0.15 -1.69 0.02 0.00 0.11 0.00 0.00 30.24 28.82 3mdk n GLN 176 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mdk n ALA 177 N -1.65 3.96 -0.18 -1.58 0.00 -0.46 -4.68 120.51 115.93 3mdk n ALA 177 Ca 0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 3mdk n ALA 177 Cb 0.27 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 18.69 3mdk n ALA 177 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mdk h LYS 178 N 0.86 0.40 -0.20 0.00 3.64 -1.81 -0.75 116.57 118.70 3mdk h LYS 178 Ca 0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3mdk h LYS 178 Cb 1.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3mdk h LYS 178 CO 0.24 0.26 -0.12 -1.35 -2.27 0.00 0.00 179.45 176.21 3mdk h PRO 179 N 0.41 0.33 -0.23 1.90 0.11 -1.83 0.46 132.00 133.15 3mdk h PRO 179 Ca 0.26 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 3mdk h PRO 179 Cb 0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 3mdk h PRO 179 CO -0.25 0.46 -0.19 1.25 -0.21 0.00 0.00 178.00 179.07 3mdk h LEU 180 N 0.31 0.55 -0.76 2.35 5.85 -1.50 -1.22 115.31 120.88 3mdk h LEU 180 Ca 0.06 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3mdk h LEU 180 Cb 0.41 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3mdk h LEU 180 CO 0.02 0.89 0.40 -0.07 -0.34 0.00 0.00 178.44 179.35 3mdk h LEU 181 N 0.22 0.97 -0.57 2.25 3.38 -0.73 -2.33 115.31 118.51 3mdk h LEU 181 Ca 0.04 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3mdk h LEU 181 Cb 0.72 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3mdk h LEU 181 CO 0.05 0.81 0.33 0.44 0.09 0.00 0.00 178.44 180.15 3mdk h ASP 182 N 1.06 0.52 0.00 -0.43 3.32 -0.01 0.13 116.42 121.01 3mdk h ASP 182 Ca 0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3mdk h ASP 182 Cb 0.07 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3mdk h ASP 182 CO -0.04 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 3mdk n TYR 183 N -4.79 0.00 0.00 4.55 9.36 -0.47 -1.81 117.16 124.00 3mdk n TYR 183 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 3mdk n TYR 183 Cb 0.10 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 3mdk n TYR 183 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3mdk n GLU 185 N 0.53 0.00 0.08 2.98 2.13 0.45 -0.23 120.64 126.58 3mdk n GLU 185 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3mdk n GLU 185 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 3mdk n GLU 185 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 3mdk h ARG 186 N 0.00 0.35 -0.05 5.31 0.11 -1.61 -3.28 114.38 115.20 3mdk h ARG 186 Ca 0.00 -0.44 -0.02 0.00 0.10 0.00 0.00 59.98 59.62 3mdk h ARG 186 Cb 0.00 0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 3mdk h ARG 186 CO 0.00 1.14 -0.04 1.96 0.10 0.00 0.00 179.97 183.13 3mdk h GLN 187 N 0.16 0.13 -0.28 0.08 1.08 -0.85 -3.01 115.11 112.42 3mdk h GLN 187 Ca -0.10 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3mdk h GLN 187 Cb 1.72 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.14 3mdk h GLN 187 CO 0.18 0.55 0.19 0.74 -0.95 0.00 0.00 178.83 179.54 3mdk h PHE 188 N -0.30 0.10 0.00 2.96 0.04 -1.78 -2.39 116.94 115.58 3mdk h PHE 188 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3mdk h PHE 188 Cb 0.52 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3mdk h PHE 188 CO 0.08 0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.85 3mdk n ALA 189 N -2.56 2.26 -1.76 2.45 0.00 -1.16 -4.21 120.51 115.53 3mdk n ALA 189 Ca 0.03 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 3mdk n ALA 189 Cb 0.28 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3mdk n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mdk n ARG 190 N -1.95 2.67 -0.13 0.00 1.74 -0.90 -4.81 116.66 113.27 3mdk n ARG 190 Ca 0.06 0.94 -0.04 0.00 -0.77 0.00 0.00 57.85 58.04 3mdk n ARG 190 Cb 0.38 -2.70 0.04 0.00 -1.02 0.00 0.00 32.46 29.16 3mdk n ARG 190 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3mdk h GLU 191 N 3.94 0.16 -0.89 5.56 5.08 -1.90 -1.33 114.58 125.19 3mdk h GLU 191 Ca -0.49 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3mdk h GLU 191 Cb 1.23 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 3mdk h GLU 191 CO 0.72 0.11 0.59 -1.35 -1.00 0.00 0.00 179.01 178.08 3mdk h PRO 192 N 0.16 1.12 -0.30 2.33 0.11 -1.91 -0.14 132.00 133.38 3mdk h PRO 192 Ca 0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3mdk h PRO 192 Cb 0.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3mdk h PRO 192 CO -0.32 0.74 0.11 0.35 -0.21 0.00 0.00 178.00 178.67 3mdk h PHE 193 N 1.16 0.46 -0.94 0.65 3.57 -1.62 -1.59 116.94 118.64 3mdk h PHE 193 Ca 0.34 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3mdk h PHE 193 Cb -0.04 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 3mdk h PHE 193 CO -0.00 0.47 0.61 1.96 -2.23 0.00 0.00 178.31 179.12 3mdk h GLN 194 N 0.33 1.12 0.00 1.11 1.08 -0.96 -1.73 115.11 116.06 3mdk h GLN 194 Ca 0.10 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3mdk h GLN 194 Cb 0.21 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3mdk h GLN 194 CO -0.01 0.74 -0.10 0.00 -0.95 0.00 0.00 178.83 178.51 3mdk h ALA 195 N 1.46 1.45 -0.01 3.87 0.00 -0.60 -3.06 119.26 122.38 3mdk h ALA 195 Ca 0.38 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3mdk h ALA 195 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mdk h ALA 195 CO -0.12 0.13 -0.68 0.66 0.00 0.00 0.00 179.25 179.23 3mdk h SER 196 N 0.00 0.06 -3.38 0.00 4.64 -0.35 -3.46 113.55 111.06 3mdk h SER 196 Ca -0.00 -0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.75 3mdk h SER 196 Cb 0.24 -0.02 0.05 0.00 -0.31 0.00 0.00 62.40 62.36 3mdk h SER 196 CO 0.01 0.72 0.72 -0.76 -0.87 0.00 0.00 176.83 176.65 3mdk s LEU 197 N -7.55 4.40 0.71 5.97 1.43 -1.16 -4.74 118.68 117.74 3mdk s LEU 197 Ca -0.02 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 3mdk s LEU 197 Cb 0.12 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.75 3mdk s LEU 197 CO 0.78 -0.63 1.08 -0.94 0.23 0.00 0.00 176.35 176.87 3mdk s SER 198 N 0.35 5.26 0.31 2.29 1.04 -1.26 -4.92 113.70 116.78 3mdk s SER 198 Ca 0.58 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.99 3mdk s SER 198 Cb -0.40 -1.74 0.53 0.00 0.10 0.00 0.00 66.02 64.51 3mdk s SER 198 CO 0.41 -1.42 1.96 0.77 0.98 0.00 0.00 173.24 175.94 3mdk h SER 199 N -0.66 0.88 -0.29 7.02 4.64 -1.96 -1.32 113.55 121.86 3mdk h SER 199 Ca -0.45 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 3mdk h SER 199 Cb 1.27 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3mdk h SER 199 CO 0.64 0.61 -0.40 0.58 -0.87 0.00 0.00 176.83 177.38 3mdk h VAL 200 N 1.02 1.28 -0.45 0.95 2.07 -1.94 -2.82 116.25 116.36 3mdk h VAL 200 Ca 0.32 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 3mdk h VAL 200 Cb 0.01 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3mdk h VAL 200 CO -0.09 0.52 0.05 -0.33 0.02 0.00 0.00 177.57 177.74 3mdk h GLU 201 N 0.69 0.70 -0.84 1.57 5.08 -1.63 -1.99 114.58 118.16 3mdk h GLU 201 Ca 0.05 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3mdk h GLU 201 Cb 0.98 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 3mdk h GLU 201 CO 0.09 0.68 0.55 0.00 -1.00 0.00 0.00 179.01 179.33 3mdk h ARG 202 N 0.67 0.78 -2.56 2.33 3.08 -1.06 -3.35 114.38 114.27 3mdk h ARG 202 Ca 0.14 -0.05 -0.43 0.00 0.07 0.00 0.00 59.98 59.72 3mdk h ARG 202 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3mdk h ARG 202 CO 0.01 0.52 1.81 0.39 -1.07 0.00 0.00 179.97 181.62 3mdk n GLU 203 N -4.52 2.80 0.00 0.04 1.02 -0.75 -5.12 120.64 114.12 3mdk n GLU 203 Ca 0.14 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 3mdk n GLU 203 Cb 0.31 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 3mdk n GLU 203 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85