#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n ASN 3 N 0.00 0.00 -0.44 1.61 6.94 -1.26 -5.09 115.26 117.02 2wdm n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wdm n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wdm n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2wdm n LYS 4 N -0.37 0.00 -1.34 -3.83 5.02 -1.26 -4.73 118.16 111.64 2wdm n LYS 4 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2wdm n LYS 4 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 2wdm n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wdm n ILE 5 N 0.00 2.31 -1.12 -0.18 -6.64 -1.26 -4.79 119.36 107.69 2wdm n ILE 5 Ca 0.00 -0.41 -0.41 0.00 -1.77 0.00 0.00 62.75 60.16 2wdm n ILE 5 Cb 0.00 -0.88 -0.04 0.00 -1.44 0.00 0.00 39.64 37.28 2wdm n ILE 5 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 2wdm n HIS 6 N -2.30 0.05 0.60 4.28 -0.00 -1.26 -4.86 115.22 111.74 2wdm n HIS 6 Ca 0.11 0.78 0.13 0.00 -0.00 0.00 0.00 57.72 58.75 2wdm n HIS 6 Cb 0.49 -1.56 0.39 0.00 -0.00 0.00 0.00 29.99 29.31 2wdm n HIS 6 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wdm h PRO 7 N 1.53 0.00 0.00 1.57 0.13 -1.94 -3.10 132.00 130.20 2wdm h PRO 7 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2wdm h PRO 7 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2wdm h PRO 7 CO 0.47 0.00 -0.16 0.82 -0.23 0.00 0.00 178.00 178.90 2wdm h ILE 8 N 0.00 0.00 0.00 -3.56 1.08 -1.90 -3.18 117.51 109.94 2wdm h ILE 8 Ca 0.00 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2wdm h ILE 8 Cb 0.75 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2wdm h ILE 8 CO 0.00 0.00 0.27 1.23 -0.69 0.00 0.00 178.15 178.96 2wdm h GLY 9 N -0.62 0.00 0.40 5.37 0.00 -1.96 1.63 103.07 107.89 2wdm h GLY 9 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wdm h GLY 9 CO 0.00 0.00 -0.07 -2.75 0.00 0.00 0.00 176.54 173.72 2wdm h PHE 10 N 0.00 -0.18 -0.07 5.60 3.57 -1.68 -3.32 116.94 120.86 2wdm h PHE 10 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wdm h PHE 10 Cb 0.54 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2wdm h PHE 10 CO 0.00 0.27 -0.08 0.00 -2.23 0.00 0.00 178.31 176.27 2wdm h ARG 11 N -0.80 0.18 0.00 1.11 2.47 -0.77 -3.40 114.38 113.18 2wdm h ARG 11 Ca -0.02 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2wdm h ARG 11 Cb 0.54 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2wdm h ARG 11 CO 0.03 0.64 0.00 -0.11 0.56 0.00 0.00 179.97 181.09 2wdm n LEU 12 N -4.69 0.00 -0.17 3.04 -0.00 0.53 0.13 117.00 115.84 2wdm n LEU 12 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.92 2wdm n LEU 12 Cb 0.32 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.81 2wdm n LEU 12 CO 0.37 0.00 0.84 1.23 -0.00 0.00 0.00 177.39 179.82 2wdm h GLY 13 N 0.00 0.55 0.00 -3.96 0.00 -1.80 -3.38 103.07 94.48 2wdm h GLY 13 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2wdm h GLY 13 CO 0.00 -0.16 0.00 4.51 0.00 0.00 0.00 176.54 180.89 2wdm n ILE 14 N -5.25 0.00 0.00 2.60 3.06 0.35 -4.93 119.36 115.19 2wdm n ILE 14 Ca 0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 2wdm n ILE 14 Cb 0.30 -0.38 0.00 0.00 0.54 0.00 0.00 39.64 40.10 2wdm n ILE 14 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2wdm n THR 15 N -0.14 0.00 -0.79 9.51 -1.04 -1.20 -4.73 114.28 115.88 2wdm n THR 15 Ca 0.00 0.36 -0.33 0.00 -2.04 0.00 0.00 64.05 62.04 2wdm n THR 15 Cb 0.00 -0.92 0.13 0.00 -1.82 0.00 0.00 70.33 67.72 2wdm n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2wdm n ARG 16 N 0.00 -0.30 -4.72 -2.82 3.00 -1.26 -4.91 116.66 105.64 2wdm n ARG 16 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 57.85 57.51 2wdm n ARG 16 Cb 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 32.46 30.38 2wdm n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2wdm s ASP 17 N -2.11 3.29 -0.20 6.15 -0.00 -1.26 -4.55 116.67 118.00 2wdm s ASP 17 Ca 0.59 -0.62 -0.35 0.00 -0.00 0.00 0.00 52.55 52.16 2wdm s ASP 17 Cb -0.22 -0.31 -0.12 0.00 -0.00 0.00 0.00 42.92 42.28 2wdm s ASP 17 CO 0.66 0.23 1.95 0.79 -0.00 0.00 0.00 175.17 178.80 2wdm n TRP 18 N 1.48 2.09 -0.27 4.23 5.03 -1.26 -4.74 117.44 123.99 2wdm n TRP 18 Ca -0.17 0.16 0.00 0.00 3.03 0.00 0.00 57.50 60.52 2wdm n TRP 18 Cb 0.52 -2.60 0.00 0.00 -1.03 0.00 0.00 31.31 28.21 2wdm n TRP 18 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 2wdm n GLU 19 N 6.88 0.71 0.00 -0.99 2.13 -1.26 -3.02 120.64 125.08 2wdm n GLU 19 Ca 0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2wdm n GLU 19 Cb 0.25 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2wdm n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wdm n SER 20 N 1.57 0.00 -4.64 4.31 2.88 -1.26 -4.06 113.62 112.43 2wdm n SER 20 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2wdm n SER 20 Cb 0.35 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 2wdm n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdm s ARG 21 N 0.00 4.12 0.14 -1.46 1.70 -0.87 -4.92 118.95 117.67 2wdm s ARG 21 Ca 0.00 0.37 -0.20 0.00 -0.47 0.00 0.00 55.73 55.43 2wdm s ARG 21 Cb 0.00 -3.61 0.07 0.00 -0.57 0.00 0.00 34.95 30.84 2wdm s ARG 21 CO 0.00 -0.26 0.96 -2.67 -1.08 0.00 0.00 175.30 172.24 2wdm n TRP 22 N 5.21 -1.17 -4.62 5.89 4.27 -1.26 -3.94 117.44 121.82 2wdm n TRP 22 Ca -0.04 -1.09 -0.30 0.00 -3.89 0.00 0.00 57.50 52.18 2wdm n TRP 22 Cb 0.50 0.53 -0.09 0.00 -1.36 0.00 0.00 31.31 30.89 2wdm n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2wdm s TYR 23 N -2.45 2.19 0.00 -2.67 5.04 -1.26 -5.04 117.35 113.16 2wdm s TYR 23 Ca 0.21 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2wdm s TYR 23 Cb -0.02 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.56 2wdm s TYR 23 CO 0.04 0.29 0.00 0.00 -1.34 0.00 0.00 175.55 174.55 2wdm n ALA 24 N -1.15 0.00 -1.51 3.97 0.00 -1.26 -4.95 120.51 115.60 2wdm n ALA 24 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 2wdm n ALA 24 Cb 0.67 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.22 2wdm n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 25 N -0.59 -1.26 0.00 0.00 0.00 -1.21 -4.92 105.19 97.20 2wdm n GLY 25 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2wdm n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdm n LYS 26 N -2.45 0.00 -0.47 1.61 2.85 -1.26 -3.02 118.16 115.42 2wdm n LYS 26 Ca 0.09 0.40 0.39 0.00 -1.05 0.00 0.00 58.31 58.13 2wdm n LYS 26 Cb 0.30 -1.31 0.64 0.00 -0.65 0.00 0.00 35.03 34.00 2wdm n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdm n LYS 27 N -1.58 -0.03 -4.04 -1.58 5.02 -1.26 -3.46 118.16 111.23 2wdm n LYS 27 Ca 0.00 1.10 -0.31 0.00 -2.02 0.00 0.00 58.31 57.08 2wdm n LYS 27 Cb 0.00 -2.24 -0.15 0.00 -0.02 0.00 0.00 35.03 32.62 2wdm n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wdm s GLN 28 N -5.01 1.80 0.00 1.97 -1.52 -1.17 -4.68 119.66 111.05 2wdm s GLN 28 Ca -0.06 -1.64 0.00 0.00 -1.95 0.00 0.00 55.36 51.70 2wdm s GLN 28 Cb 0.27 -3.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.00 2wdm s GLN 28 CO 0.75 -0.78 0.00 0.98 -0.25 0.00 0.00 175.29 175.99 2wdm n TYR 29 N 4.33 0.00 -0.39 0.91 -0.00 -1.22 -3.35 117.16 117.44 2wdm n TYR 29 Ca -0.04 0.00 0.34 0.00 -0.00 0.00 0.00 57.90 58.20 2wdm n TYR 29 Cb 0.42 0.00 0.67 0.00 -0.00 0.00 0.00 39.34 40.43 2wdm n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2wdm h ARG 30 N 0.00 0.12 0.09 2.98 9.65 -1.84 0.68 114.38 126.07 2wdm h ARG 30 Ca 0.00 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.54 2wdm h ARG 30 Cb 0.00 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2wdm h ARG 30 CO 0.00 0.08 -1.81 0.72 2.80 0.00 0.00 179.97 181.76 2wdm n HIS 31 N -4.37 1.18 0.15 2.20 8.25 -1.26 -2.84 115.22 118.53 2wdm n HIS 31 Ca 0.30 0.31 0.01 0.00 -0.26 0.00 0.00 57.72 58.08 2wdm n HIS 31 Cb 1.27 -1.15 0.08 0.00 1.12 0.00 0.00 29.99 31.31 2wdm n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wdm n LEU 32 N -3.75 0.00 -0.09 2.41 4.77 0.06 -0.65 117.00 119.76 2wdm n LEU 32 Ca -0.32 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 2wdm n LEU 32 Cb 0.95 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2wdm n LEU 32 CO 0.36 -0.23 -1.11 -0.11 -1.33 0.00 0.00 177.39 174.97 2wdm n LEU 33 N -1.26 1.29 -0.31 2.23 7.94 -0.22 -3.58 117.00 123.10 2wdm n LEU 33 Ca 0.02 0.22 0.08 0.00 -1.11 0.00 0.00 56.01 55.22 2wdm n LEU 33 Cb 0.02 -0.54 0.29 0.00 0.53 0.00 0.00 43.42 43.73 2wdm n LEU 33 CO 0.02 0.36 1.23 0.25 -1.11 0.00 0.00 177.39 178.14 2wdm h LEU 34 N -0.65 0.82 -0.20 -1.96 6.46 -1.32 0.20 115.31 118.67 2wdm h LEU 34 Ca -0.45 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 2wdm h LEU 34 Cb 1.38 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 2wdm h LEU 34 CO -0.27 0.46 0.01 -0.08 -0.62 0.00 0.00 178.44 177.94 2wdm h GLU 35 N 0.90 0.35 -0.71 1.25 4.81 -1.11 -2.61 114.58 117.45 2wdm h GLU 35 Ca 0.45 -0.10 0.13 0.00 -0.13 0.00 0.00 59.36 59.71 2wdm h GLU 35 Cb 0.48 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2wdm h GLU 35 CO -0.21 0.53 0.48 -0.44 -0.73 0.00 0.00 179.01 178.64 2wdm h ASP 36 N 0.12 0.39 0.42 1.04 3.45 -0.79 -1.91 116.42 119.14 2wdm h ASP 36 Ca 0.06 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 2wdm h ASP 36 Cb 0.36 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2wdm h ASP 36 CO 0.01 0.21 -0.20 1.56 -1.57 0.00 0.00 179.24 179.25 2wdm h GLN 37 N 0.42 -0.55 0.00 3.56 1.08 -0.49 -2.97 115.11 116.16 2wdm h GLN 37 Ca 0.34 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2wdm h GLN 37 Cb 0.76 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2wdm h GLN 37 CO -0.11 -0.37 0.24 2.89 -0.95 0.00 0.00 178.83 180.54 2wdm n ARG 38 N -4.65 0.09 0.23 1.46 1.85 -1.01 0.13 116.66 114.76 2wdm n ARG 38 Ca -0.07 0.55 -0.10 0.00 -1.00 0.00 0.00 57.85 57.23 2wdm n ARG 38 Cb 0.22 -2.02 -0.05 0.00 -1.05 0.00 0.00 32.46 29.56 2wdm n ARG 38 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2wdm h ILE 39 N 0.00 0.00 -0.01 8.89 2.04 -1.20 -2.51 117.51 124.72 2wdm h ILE 39 Ca 0.00 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 2wdm h ILE 39 Cb 0.49 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2wdm h ILE 39 CO 0.00 0.00 -0.59 0.03 0.00 0.00 0.00 178.15 177.59 2wdm h ARG 40 N -1.11 0.03 -0.07 2.37 3.08 -0.63 -1.48 114.38 116.57 2wdm h ARG 40 Ca -0.07 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.00 2wdm h ARG 40 Cb 0.49 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 2wdm h ARG 40 CO 0.11 0.61 -0.35 0.78 -1.07 0.00 0.00 179.97 180.05 2wdm h GLY 41 N 1.73 -0.55 0.67 0.04 0.00 0.11 -0.36 103.07 104.70 2wdm h GLY 41 Ca -0.01 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 2wdm h GLY 41 CO 0.08 -0.23 -0.32 -2.00 0.00 0.00 0.00 176.54 174.07 2wdm h LEU 42 N -0.46 -0.76 -0.63 3.11 5.85 -1.39 -3.28 115.31 117.74 2wdm h LEU 42 Ca 0.08 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.88 2wdm h LEU 42 Cb 0.58 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 2wdm h LEU 42 CO -0.32 -0.43 -0.37 0.18 -0.34 0.00 0.00 178.44 177.15 2wdm n LEU 43 N -5.03 -0.67 0.02 2.25 4.77 -0.57 0.42 117.00 118.20 2wdm n LEU 43 Ca -0.11 1.43 0.01 0.00 -0.03 0.00 0.00 56.01 57.32 2wdm n LEU 43 Cb 0.35 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2wdm n LEU 43 CO 0.27 -1.07 0.54 -0.62 -1.33 0.00 0.00 177.39 175.18 2wdm n GLU 44 N -4.44 0.02 0.00 3.23 1.02 -0.16 -2.93 120.64 117.38 2wdm n GLU 44 Ca 0.01 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2wdm n GLU 44 Cb 0.16 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2wdm n GLU 44 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wdm n LYS 45 N -1.52 0.00 -0.63 3.49 5.02 0.17 -3.62 118.16 121.06 2wdm n LYS 45 Ca -0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 2wdm n LYS 45 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.07 2wdm n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wdm n GLU 46 N 0.00 1.68 0.00 1.97 4.71 -1.18 -1.06 120.64 126.76 2wdm n GLU 46 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 57.16 56.00 2wdm n GLU 46 Cb 0.00 -2.24 0.00 0.00 -1.01 0.00 0.00 31.44 28.19 2wdm n GLU 46 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2wdm n LEU 47 N 3.88 0.00 -0.14 -4.62 7.94 -1.15 -4.94 117.00 117.97 2wdm n LEU 47 Ca 0.36 -0.08 -0.02 0.00 -1.11 0.00 0.00 56.01 55.16 2wdm n LEU 47 Cb 0.21 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.36 2wdm n LEU 47 CO 0.56 0.20 1.02 0.22 -1.11 0.00 0.00 177.39 178.28 2wdm h TYR 48 N 0.00 0.87 -0.56 1.96 3.20 -1.16 -3.00 116.97 118.29 2wdm h TYR 48 Ca 0.00 -0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.90 2wdm h TYR 48 Cb 0.25 -0.26 -0.11 0.00 1.54 0.00 0.00 36.73 38.15 2wdm h TYR 48 CO 0.00 0.70 -0.36 0.77 -1.64 0.00 0.00 178.16 177.62 2wdm h SER 49 N 0.84 -1.25 0.19 -2.11 0.02 -1.91 0.46 113.55 109.78 2wdm h SER 49 Ca 0.19 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 2wdm h SER 49 Cb 0.23 0.60 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2wdm h SER 49 CO -0.01 -0.32 -0.20 0.00 -1.14 0.00 0.00 176.83 175.16 2wdm h ALA 50 N 0.85 1.64 -2.98 3.77 0.00 -1.77 -3.47 119.26 117.29 2wdm h ALA 50 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wdm h ALA 50 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wdm h ALA 50 CO -0.66 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2wdm n GLY 51 N -0.92 0.87 3.72 0.00 0.00 0.16 -4.21 105.19 104.81 2wdm n GLY 51 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2wdm n GLY 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wdm n LEU 52 N -1.47 4.01 -0.97 0.99 -0.00 -1.25 -4.74 117.00 113.57 2wdm n LEU 52 Ca 0.00 1.11 0.07 0.00 -0.00 0.00 0.00 56.01 57.18 2wdm n LEU 52 Cb 0.50 -1.56 0.26 0.00 -0.00 0.00 0.00 43.42 42.62 2wdm n LEU 52 CO 0.00 0.08 0.72 0.00 -0.00 0.00 0.00 177.39 178.19 2wdm n ALA 53 N 2.97 3.20 0.00 1.47 0.00 -0.68 -4.92 120.51 122.54 2wdm n ALA 53 Ca 0.13 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2wdm n ALA 53 Cb 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2wdm n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdm n ARG 54 N -0.55 0.00 -2.89 0.00 0.63 -1.26 -4.89 116.66 107.70 2wdm n ARG 54 Ca 0.23 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.04 2wdm n ARG 54 Cb 0.93 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.87 2wdm n ARG 54 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wdm n VAL 55 N -0.52 -0.14 -1.24 5.15 0.31 -1.26 -3.11 118.33 117.52 2wdm n VAL 55 Ca 0.00 -2.47 -0.36 0.00 -0.01 0.00 0.00 64.34 61.50 2wdm n VAL 55 Cb 0.00 0.65 0.07 0.00 -0.91 0.00 0.00 33.84 33.65 2wdm n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdm n ASP 56 N 0.86 -1.23 -3.67 4.52 2.03 -0.86 -4.74 116.55 113.46 2wdm n ASP 56 Ca 0.13 0.58 -0.11 0.00 0.52 0.00 0.00 54.79 55.91 2wdm n ASP 56 Cb 0.65 -1.22 -0.11 0.00 -0.72 0.00 0.00 41.12 39.72 2wdm n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wdm s ILE 57 N -1.93 -0.43 0.20 5.18 1.01 -1.26 -1.81 121.20 122.16 2wdm s ILE 57 Ca 0.65 0.20 0.11 0.00 0.00 0.00 0.00 60.65 61.61 2wdm s ILE 57 Cb -0.34 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2wdm s ILE 57 CO 0.58 0.08 -0.22 -1.61 0.00 0.00 0.00 174.94 173.77 2wdm s GLU 58 N 2.27 1.50 0.25 2.79 2.02 -1.26 -2.04 118.70 124.23 2wdm s GLU 58 Ca -0.02 -1.55 -0.20 0.00 0.02 0.00 0.00 54.97 53.23 2wdm s GLU 58 Cb -0.11 -1.74 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2wdm s GLU 58 CO -0.11 0.36 0.65 1.03 0.02 0.00 0.00 175.26 177.21 2wdm s ARG 59 N -2.83 1.65 0.00 1.61 0.52 -1.25 -2.00 118.95 116.64 2wdm s ARG 59 Ca 0.21 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2wdm s ARG 59 Cb -0.07 0.58 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2wdm s ARG 59 CO 0.10 -0.74 0.00 0.00 0.02 0.00 0.00 175.30 174.68 2wdm n ALA 60 N -0.43 0.18 0.00 2.13 0.00 -1.26 -4.57 120.51 116.56 2wdm n ALA 60 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wdm n ALA 60 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wdm n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdm n ALA 61 N -0.65 0.00 0.00 0.00 0.00 -1.26 -4.98 120.51 113.62 2wdm n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdm n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdm n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wdm n ASP 62 N 0.00 0.00 -4.75 0.00 9.92 -1.26 -4.93 116.55 115.53 2wdm n ASP 62 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 2wdm n ASP 62 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2wdm n ASP 62 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2wdm n ASN 63 N 1.24 3.20 -3.61 -2.24 6.94 -1.26 -3.17 115.26 116.36 2wdm n ASN 63 Ca 0.00 1.15 -0.22 0.00 -0.02 0.00 0.00 54.58 55.48 2wdm n ASN 63 Cb 0.00 -1.58 -0.16 0.00 -2.36 0.00 0.00 39.78 35.68 2wdm n ASN 63 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wdm s VAL 64 N -1.17 -0.15 0.10 3.53 1.01 -1.25 -4.31 120.40 118.16 2wdm s VAL 64 Ca 0.59 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.36 2wdm s VAL 64 Cb -0.48 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 2wdm s VAL 64 CO 0.59 -0.13 1.70 0.00 0.00 0.00 0.00 175.10 177.27 2wdm h ALA 65 N 8.40 -0.09 -6.74 5.51 0.00 -1.60 -2.02 119.26 122.71 2wdm h ALA 65 Ca -0.15 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.22 2wdm h ALA 65 Cb 1.14 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2wdm h ALA 65 CO 0.24 -0.57 -0.91 0.28 0.00 0.00 0.00 179.25 178.29 2wdm n VAL 66 N -5.20 -2.03 -2.67 0.00 0.31 -1.21 -3.83 118.33 103.70 2wdm n VAL 66 Ca -0.06 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.42 2wdm n VAL 66 Cb 0.13 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 2wdm n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wdm s THR 67 N -3.99 4.31 -0.09 2.52 2.01 -0.75 -3.48 115.64 116.18 2wdm s THR 67 Ca 0.13 1.15 -0.17 0.00 0.31 0.00 0.00 61.69 63.10 2wdm s THR 67 Cb -0.07 -4.54 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2wdm s THR 67 CO 0.93 -0.90 0.46 -0.69 -0.69 0.00 0.00 174.62 173.73 2wdm s VAL 68 N 4.18 5.14 -0.11 3.82 1.01 -1.16 -2.03 120.40 131.25 2wdm s VAL 68 Ca 0.45 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 2wdm s VAL 68 Cb -0.08 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2wdm s VAL 68 CO 0.29 0.38 -0.05 -1.00 0.00 0.00 0.00 175.10 174.72 2wdm s HIS 69 N 0.23 2.99 0.00 5.22 3.76 -1.18 -0.14 115.29 126.17 2wdm s HIS 69 Ca 0.25 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2wdm s HIS 69 Cb -0.15 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2wdm s HIS 69 CO 0.11 0.17 0.00 0.28 -0.85 0.00 0.00 174.74 174.45 2wdm n VAL 70 N 2.80 0.00 -1.64 -0.90 0.31 -0.27 -1.69 118.33 116.94 2wdm n VAL 70 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2wdm n VAL 70 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2wdm n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdm n ALA 71 N -3.00 0.38 -2.80 3.52 0.00 -1.26 0.20 120.51 117.54 2wdm n ALA 71 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2wdm n ALA 71 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2wdm n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdm n LYS 72 N 0.00 1.24 0.00 0.00 4.81 -1.26 -4.84 118.16 118.12 2wdm n LYS 72 Ca 0.00 -3.38 0.06 0.00 -0.87 0.00 0.00 58.31 54.13 2wdm n LYS 72 Cb 0.30 -1.44 0.31 0.00 0.02 0.00 0.00 35.03 34.22 2wdm n LYS 72 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wdm n PRO 73 N 0.01 0.11 0.00 1.64 -0.04 -1.26 -3.10 135.00 132.36 2wdm n PRO 73 Ca 0.15 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2wdm n PRO 73 Cb 0.76 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2wdm n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdm n GLY 74 N -0.15 -0.16 0.00 0.55 0.00 -1.26 -0.63 105.19 103.54 2wdm n GLY 74 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdm n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdm n VAL 75 N -0.40 0.00 0.00 1.61 0.31 -1.18 -4.72 118.33 113.95 2wdm n VAL 75 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2wdm n VAL 75 Cb 0.01 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2wdm n VAL 75 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wdm n VAL 76 N -0.35 0.00 0.27 2.52 0.24 0.19 -3.45 118.33 117.75 2wdm n VAL 76 Ca 0.00 1.24 0.11 0.00 -2.04 0.00 0.00 64.34 63.65 2wdm n VAL 76 Cb 0.00 -2.22 0.75 0.00 -1.47 0.00 0.00 33.84 30.90 2wdm n VAL 76 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2wdm h ILE 77 N 0.00 0.73 0.00 1.34 2.04 -1.91 -3.18 117.51 116.53 2wdm h ILE 77 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2wdm h ILE 77 Cb 0.00 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2wdm h ILE 77 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.82 2wdm n GLY 78 N -1.16 -1.58 3.60 5.37 0.00 -1.22 -0.13 105.19 110.05 2wdm n GLY 78 Ca -0.03 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 2wdm n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdm s ARG 79 N 0.00 3.30 0.00 1.61 0.52 -1.26 -4.10 118.95 119.02 2wdm s ARG 79 Ca 0.00 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 2wdm s ARG 79 Cb 0.00 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.27 2wdm s ARG 79 CO 0.00 -1.90 0.00 0.41 0.02 0.00 0.00 175.30 173.83 2wdm n GLY 80 N 5.41 0.65 0.00 -3.53 0.00 -1.26 -2.90 105.19 103.55 2wdm n GLY 80 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2wdm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 81 N 0.00 -0.17 0.01 -0.02 0.00 -1.26 -5.06 105.19 98.69 2wdm n GLY 81 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdm n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdm n GLU 82 N 0.00 2.20 -0.01 1.61 1.02 -1.14 -4.55 120.64 119.77 2wdm n GLU 82 Ca 0.00 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 2wdm n GLU 82 Cb 0.00 -1.04 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2wdm n GLU 82 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2wdm h ARG 83 N 0.00 -0.09 -0.22 3.49 9.65 -0.83 -2.75 114.38 123.63 2wdm h ARG 83 Ca -0.03 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2wdm h ARG 83 Cb 0.68 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2wdm h ARG 83 CO 0.00 0.37 0.28 0.97 2.80 0.00 0.00 179.97 184.39 2wdm h ILE 84 N -0.96 0.36 0.19 1.20 2.10 -0.51 -1.56 117.51 118.32 2wdm h ILE 84 Ca -0.01 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.92 2wdm h ILE 84 Cb 0.50 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 2wdm h ILE 84 CO 0.02 0.00 -0.09 -0.09 -1.08 0.00 0.00 178.15 176.91 2wdm h ARG 85 N 0.00 -0.24 0.00 2.19 9.65 -1.79 -1.29 114.38 122.90 2wdm h ARG 85 Ca 0.10 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2wdm h ARG 85 Cb 0.66 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2wdm h ARG 85 CO -0.00 -0.16 0.26 -0.39 2.80 0.00 0.00 179.97 182.48 2wdm h VAL 86 N -0.44 0.00 0.08 0.20 -1.51 -1.12 -0.18 116.25 113.28 2wdm h VAL 86 Ca -0.03 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.18 2wdm h VAL 86 Cb 0.19 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 29.76 2wdm h VAL 86 CO 0.04 0.00 -1.40 -0.07 -1.23 0.00 0.00 177.57 174.91 2wdm h LEU 87 N 0.00 0.26 -2.05 4.19 3.38 -1.27 -2.33 115.31 117.50 2wdm h LEU 87 Ca 0.00 -0.78 0.11 0.00 0.09 0.00 0.00 57.88 57.30 2wdm h LEU 87 Cb 0.53 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2wdm h LEU 87 CO 0.00 1.59 0.37 0.03 0.09 0.00 0.00 178.44 180.52 2wdm h ARG 88 N -0.47 0.00 0.00 1.13 3.08 0.16 -1.49 114.38 116.79 2wdm h ARG 88 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2wdm h ARG 88 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 2wdm h ARG 88 CO -0.02 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.97 2wdm n GLU 89 N -3.93 0.00 -0.26 0.04 4.07 -0.63 -3.35 120.64 116.57 2wdm n GLU 89 Ca 0.07 0.32 0.10 0.00 -0.06 0.00 0.00 57.16 57.59 2wdm n GLU 89 Cb 0.55 -1.20 0.19 0.00 -0.06 0.00 0.00 31.44 30.91 2wdm n GLU 89 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2wdm n GLU 90 N -1.47 -0.06 0.00 5.31 -0.58 -0.63 -0.05 120.64 123.16 2wdm n GLU 90 Ca 0.00 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 2wdm n GLU 90 Cb 0.00 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 2wdm n GLU 90 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdm n LEU 91 N -5.07 0.00 0.33 -4.62 4.77 -0.76 -2.05 117.00 109.60 2wdm n LEU 91 Ca 0.16 0.83 0.21 0.00 -0.03 0.00 0.00 56.01 57.18 2wdm n LEU 91 Cb 0.52 -0.33 1.12 0.00 -2.33 0.00 0.00 43.42 42.41 2wdm n LEU 91 CO -0.06 -0.33 1.17 0.00 -1.33 0.00 0.00 177.39 176.84 2wdm h ALA 92 N -1.83 1.13 0.00 -1.18 0.00 -1.42 0.18 119.26 116.14 2wdm h ALA 92 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdm h ALA 92 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wdm h ALA 92 CO 0.00 -0.07 -0.01 -0.22 0.00 0.00 0.00 179.25 178.96 2wdm h LYS 93 N 0.00 0.00 -0.02 0.00 3.64 0.14 -1.00 116.57 119.33 2wdm h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wdm h LYS 93 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wdm h LYS 93 CO -0.00 0.01 0.00 1.47 -2.27 0.00 0.00 179.45 178.66 2wdm n LEU 94 N -3.16 1.38 -3.88 5.20 -0.00 0.57 -4.99 117.00 112.12 2wdm n LEU 94 Ca -0.02 -1.17 -0.23 0.00 -0.00 0.00 0.00 56.01 54.59 2wdm n LEU 94 Cb 0.13 -0.01 -0.17 0.00 -0.00 0.00 0.00 43.42 43.37 2wdm n LEU 94 CO 0.22 0.32 -0.42 -0.89 -0.00 0.00 0.00 177.39 176.63 2wdm s THR 95 N -0.34 0.67 0.00 1.47 2.01 -0.38 -5.00 115.64 114.07 2wdm s THR 95 Ca 0.03 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2wdm s THR 95 Cb 0.02 -0.71 -0.18 0.00 0.01 0.00 0.00 72.50 71.64 2wdm s THR 95 CO 0.03 0.28 2.99 0.61 -0.69 0.00 0.00 174.62 177.84 2wdm n GLY 96 N 4.45 2.76 3.17 4.40 0.00 -1.26 -4.52 105.19 114.19 2wdm n GLY 96 Ca -0.18 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2wdm n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdm s LYS 97 N 0.76 1.04 0.60 1.61 1.02 -1.26 -5.11 119.74 118.40 2wdm s LYS 97 Ca 0.43 -1.52 -0.18 0.00 0.02 0.00 0.00 55.97 54.73 2wdm s LYS 97 Cb 0.21 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.72 2wdm s LYS 97 CO 0.00 -0.31 1.17 -0.80 -0.92 0.00 0.00 175.35 174.50 2wdm s ASN 98 N -3.10 5.26 -0.52 2.83 0.01 -1.19 -4.70 114.94 113.53 2wdm s ASN 98 Ca 0.30 2.28 0.05 0.00 -0.71 0.00 0.00 52.86 54.78 2wdm s ASN 98 Cb 0.07 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.33 2wdm s ASN 98 CO 0.06 -1.54 0.45 1.33 -1.51 0.00 0.00 177.10 175.89 2wdm n VAL 99 N -1.69 0.06 -2.28 1.60 0.24 -1.26 -4.16 118.33 110.84 2wdm n VAL 99 Ca 0.13 -4.11 -0.41 0.00 -2.04 0.00 0.00 64.34 57.90 2wdm n VAL 99 Cb 0.50 -1.90 -0.03 0.00 -1.47 0.00 0.00 33.84 30.94 2wdm n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdm s ALA 100 N -0.81 3.48 -0.11 2.33 0.00 -0.76 -4.97 121.76 120.92 2wdm s ALA 100 Ca 0.31 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 2wdm s ALA 100 Cb 0.04 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2wdm s ALA 100 CO -0.16 -0.46 0.08 -1.17 0.00 0.00 0.00 175.76 174.05 2wdm s LEU 101 N -0.44 0.23 0.54 0.00 0.20 -1.25 -3.85 118.68 114.12 2wdm s LEU 101 Ca 0.53 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 55.13 2wdm s LEU 101 Cb -0.35 -0.17 0.04 0.00 -0.43 0.00 0.00 46.19 45.28 2wdm s LEU 101 CO 0.39 -0.30 0.44 0.20 -0.29 0.00 0.00 176.35 176.79 2wdm s ASN 102 N 2.16 4.69 -0.01 3.68 0.01 -1.23 -5.03 114.94 119.21 2wdm s ASN 102 Ca 0.03 -1.19 -0.14 0.00 -0.71 0.00 0.00 52.86 50.85 2wdm s ASN 102 Cb -0.14 0.37 0.02 0.00 0.41 0.00 0.00 41.25 41.91 2wdm s ASN 102 CO -0.06 -1.11 0.29 -0.69 -1.51 0.00 0.00 177.10 174.01 2wdm s VAL 103 N -2.75 0.06 0.22 1.60 1.01 -1.26 -3.00 120.40 116.28 2wdm s VAL 103 Ca 0.37 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2wdm s VAL 103 Cb -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2wdm s VAL 103 CO 0.23 -0.28 0.21 -1.10 0.00 0.00 0.00 175.10 174.15 2wdm s GLN 104 N -1.41 1.32 0.00 2.72 -1.52 0.80 -4.90 119.66 116.68 2wdm s GLN 104 Ca -0.13 -1.61 0.01 0.00 -1.95 0.00 0.00 55.36 51.68 2wdm s GLN 104 Cb -0.05 0.31 -0.01 0.00 -0.22 0.00 0.00 33.01 33.04 2wdm s GLN 104 CO 0.04 -0.46 -0.04 -2.00 -0.25 0.00 0.00 175.29 172.57 2wdm s GLU 105 N -4.04 0.32 -0.22 2.91 2.12 -1.25 -1.12 118.70 117.42 2wdm s GLU 105 Ca 0.36 -0.22 -0.23 0.00 0.36 0.00 0.00 54.97 55.24 2wdm s GLU 105 Cb 0.05 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.16 2wdm s GLU 105 CO 0.13 0.07 0.76 0.08 -0.54 0.00 0.00 175.26 175.76 2wdm s VAL 106 N -0.29 4.90 0.32 3.70 1.01 0.52 -4.89 120.40 125.69 2wdm s VAL 106 Ca -0.01 1.43 0.35 0.00 0.00 0.00 0.00 61.98 63.75 2wdm s VAL 106 Cb -0.03 -4.06 0.35 0.00 0.00 0.00 0.00 36.38 32.64 2wdm s VAL 106 CO -0.00 -0.00 2.07 1.56 0.00 0.00 0.00 175.10 178.72 2wdm h GLN 107 N 7.62 0.00 -1.69 2.72 7.50 -1.98 -3.32 115.11 125.96 2wdm h GLN 107 Ca -0.26 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.59 2wdm h GLN 107 Cb 1.11 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.37 2wdm h GLN 107 CO 0.83 0.00 -0.64 1.21 -1.50 0.00 0.00 178.83 178.73 2wdm s ASN 108 N -4.66 0.38 0.62 1.46 3.84 -1.26 -5.01 114.94 110.31 2wdm s ASN 108 Ca -0.04 -1.51 0.14 0.00 0.21 0.00 0.00 52.86 51.66 2wdm s ASN 108 Cb 0.10 0.92 0.75 0.00 -0.55 0.00 0.00 41.25 42.47 2wdm s ASN 108 CO 0.32 -0.22 1.40 -0.65 -2.79 0.00 0.00 177.10 175.16 2wdm h PRO 109 N 6.81 0.00 0.36 0.43 0.11 -1.95 -0.98 132.00 136.78 2wdm h PRO 109 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 2wdm h PRO 109 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wdm h PRO 109 CO 0.17 0.00 -0.17 -0.91 -0.21 0.00 0.00 178.00 176.88 2wdm h ASN 110 N 0.00 -0.41 0.00 -2.05 2.35 -1.94 -3.22 115.58 110.31 2wdm h ASN 110 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wdm h ASN 110 Cb 1.29 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.77 2wdm h ASN 110 CO 0.00 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 2wdm n LEU 111 N -5.02 0.00 -3.92 1.61 4.77 -0.37 -3.90 117.00 110.16 2wdm n LEU 111 Ca -0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2wdm n LEU 111 Cb 0.19 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 2wdm n LEU 111 CO 0.14 0.00 -0.11 -0.55 -1.33 0.00 0.00 177.39 175.54 2wdm s SER 112 N -0.86 4.53 0.20 -1.43 0.15 -1.22 -4.95 113.70 110.13 2wdm s SER 112 Ca 0.00 -3.40 -0.23 0.00 0.70 0.00 0.00 55.95 53.02 2wdm s SER 112 Cb 0.00 -1.63 0.12 0.00 -1.71 0.00 0.00 66.02 62.80 2wdm s SER 112 CO 0.00 -0.16 1.55 0.00 1.20 0.00 0.00 173.24 175.83 2wdm h ALA 113 N 5.99 -0.13 -1.01 5.45 0.00 -1.84 0.25 119.26 127.97 2wdm h ALA 113 Ca 0.03 0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.44 2wdm h ALA 113 Cb 0.83 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 2wdm h ALA 113 CO 0.70 -0.76 1.08 -1.35 0.00 0.00 0.00 179.25 178.92 2wdm h PRO 114 N -0.02 0.00 0.00 0.00 0.11 -1.87 0.56 132.00 130.77 2wdm h PRO 114 Ca 0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 2wdm h PRO 114 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2wdm h PRO 114 CO -0.94 0.00 -0.42 -0.07 -0.21 0.00 0.00 178.00 176.36 2wdm h LEU 115 N 0.00 0.00 -1.25 2.35 3.38 -0.83 -3.19 115.31 115.77 2wdm h LEU 115 Ca 0.48 -0.27 0.46 0.00 0.09 0.00 0.00 57.88 58.64 2wdm h LEU 115 Cb 2.63 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.22 2wdm h LEU 115 CO -0.01 0.87 0.77 0.52 0.09 0.00 0.00 178.44 180.68 2wdm n VAL 116 N -4.63 -0.31 0.02 1.22 0.31 0.17 0.89 118.33 116.01 2wdm n VAL 116 Ca -0.10 1.88 -0.01 0.00 -0.01 0.00 0.00 64.34 66.10 2wdm n VAL 116 Cb 0.30 -3.07 -0.00 0.00 -0.91 0.00 0.00 33.84 30.16 2wdm n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdm h ALA 117 N 1.73 -0.91 -0.90 3.52 0.00 -0.99 -1.97 119.26 119.73 2wdm h ALA 117 Ca 0.87 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 56.03 2wdm h ALA 117 Cb 2.64 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.42 2wdm h ALA 117 CO -0.57 -0.90 0.69 1.96 0.00 0.00 0.00 179.25 180.43 2wdm h GLN 118 N -0.07 0.00 0.16 0.00 4.20 -0.47 0.35 115.11 119.29 2wdm h GLN 118 Ca -0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2wdm h GLN 118 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2wdm h GLN 118 CO 0.01 0.00 -0.21 -0.09 -0.67 0.00 0.00 178.83 177.87 2wdm h ARG 119 N 0.00 -0.41 -0.18 1.46 2.43 0.80 -1.72 114.38 116.76 2wdm h ARG 119 Ca 0.43 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.54 2wdm h ARG 119 Cb 1.80 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.44 2wdm h ARG 119 CO -0.00 -0.27 -0.23 0.28 -1.51 0.00 0.00 179.97 178.23 2wdm h VAL 120 N -0.42 1.34 -1.10 0.20 2.07 0.32 -3.04 116.25 115.62 2wdm h VAL 120 Ca 0.01 -1.44 0.31 0.00 0.82 0.00 0.00 66.70 66.41 2wdm h VAL 120 Cb 0.42 1.86 -0.11 0.00 -1.52 0.00 0.00 31.29 31.94 2wdm h VAL 120 CO -0.08 0.43 0.69 0.00 0.02 0.00 0.00 177.57 178.64 2wdm h ALA 121 N 0.61 2.28 0.16 1.67 0.00 -0.70 -0.02 119.26 123.26 2wdm h ALA 121 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wdm h ALA 121 Cb 0.80 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wdm h ALA 121 CO 0.06 -0.78 -0.08 0.93 0.00 0.00 0.00 179.25 179.38 2wdm h GLU 122 N 0.32 -0.21 -0.89 0.00 5.08 -1.20 -1.94 114.58 115.74 2wdm h GLU 122 Ca 0.67 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.21 2wdm h GLU 122 Cb 1.77 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.91 2wdm h GLU 122 CO -0.39 -0.14 -0.30 1.96 -1.00 0.00 0.00 179.01 179.14 2wdm h GLN 123 N -0.22 -0.02 0.77 2.33 4.20 -1.10 -1.21 115.11 119.85 2wdm h GLN 123 Ca -0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2wdm h GLN 123 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2wdm h GLN 123 CO 0.04 -0.02 -0.50 0.82 -0.67 0.00 0.00 178.83 178.50 2wdm h ILE 124 N -0.03 0.00 0.00 2.54 2.04 -1.10 -0.40 117.51 120.57 2wdm h ILE 124 Ca 0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.23 2wdm h ILE 124 Cb 0.62 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2wdm h ILE 124 CO -0.92 0.00 0.03 -0.62 0.00 0.00 0.00 178.15 176.64 2wdm n GLU 125 N -5.60 0.00 -2.52 2.37 1.02 -0.56 -1.20 120.64 114.15 2wdm n GLU 125 Ca -0.15 0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 2wdm n GLU 125 Cb 0.50 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 2wdm n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdm n ARG 126 N -1.03 2.88 -2.91 3.49 1.74 -0.18 -4.94 116.66 115.71 2wdm n ARG 126 Ca 0.00 -4.20 -0.10 0.00 -0.77 0.00 0.00 57.85 52.78 2wdm n ARG 126 Cb 0.03 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 2wdm n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdm n ARG 127 N -0.39 -0.60 -4.47 5.56 3.00 -0.34 -4.90 116.66 114.51 2wdm n ARG 127 Ca 0.32 0.30 -0.25 0.00 -0.01 0.00 0.00 57.85 58.21 2wdm n ARG 127 Cb 0.71 -0.83 -0.10 0.00 0.00 0.00 0.00 32.46 32.23 2wdm n ARG 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wdm s PHE 128 N -2.23 2.38 -0.38 -1.55 0.40 -1.11 -5.03 117.98 110.47 2wdm s PHE 128 Ca 0.01 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.67 2wdm s PHE 128 Cb -0.00 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 2wdm s PHE 128 CO 0.34 0.64 2.01 0.00 0.70 0.00 0.00 175.22 178.91 2wdm s ALA 129 N -2.53 2.51 0.20 5.36 0.00 -1.26 -4.83 121.76 121.21 2wdm s ALA 129 Ca 0.31 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 2wdm s ALA 129 Cb -0.02 -4.13 0.15 0.00 0.00 0.00 0.00 23.12 19.12 2wdm s ALA 129 CO 0.16 -3.18 1.55 0.28 0.00 0.00 0.00 175.76 174.57 2wdm h VAL 130 N 7.05 1.30 -0.67 0.00 2.07 -1.97 1.07 116.25 125.10 2wdm h VAL 130 Ca -0.33 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 2wdm h VAL 130 Cb 1.20 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2wdm h VAL 130 CO 1.07 0.52 0.22 -0.09 0.02 0.00 0.00 177.57 179.31 2wdm h ARG 131 N 0.48 1.02 0.35 1.57 9.65 -2.01 -2.40 114.38 123.04 2wdm h ARG 131 Ca 0.03 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.70 2wdm h ARG 131 Cb 0.98 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2wdm h ARG 131 CO 0.09 0.86 -0.17 -0.09 2.80 0.00 0.00 179.97 183.46 2wdm h ARG 132 N 0.98 -0.45 -0.69 0.20 2.43 -1.90 -3.11 114.38 111.85 2wdm h ARG 132 Ca 0.22 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 2wdm h ARG 132 Cb 0.26 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.80 2wdm h ARG 132 CO -0.01 -0.30 -0.25 0.00 -1.51 0.00 0.00 179.97 177.90 2wdm n ALA 133 N -2.73 -0.04 0.26 2.80 0.00 0.37 -0.09 120.51 121.08 2wdm n ALA 133 Ca -0.06 0.70 -0.10 0.00 0.00 0.00 0.00 53.44 53.98 2wdm n ALA 133 Cb 0.18 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 2wdm n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdm h ILE 134 N 0.00 0.00 0.00 0.00 1.08 -1.56 0.16 117.51 117.19 2wdm h ILE 134 Ca 0.26 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2wdm h ILE 134 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2wdm h ILE 134 CO -0.69 0.00 0.39 0.11 -0.69 0.00 0.00 178.15 177.27 2wdm h LYS 135 N -0.93 0.00 0.00 2.37 1.79 -1.24 -0.82 116.57 117.74 2wdm h LYS 135 Ca -0.07 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.10 2wdm h LYS 135 Cb 0.52 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 2wdm h LYS 135 CO 0.11 0.00 -1.65 0.94 -1.08 0.00 0.00 179.45 177.78 2wdm n GLN 136 N -2.45 0.57 0.10 3.15 7.27 0.87 -3.25 117.38 123.65 2wdm n GLN 136 Ca -0.01 0.48 0.09 0.00 0.07 0.00 0.00 57.00 57.64 2wdm n GLN 136 Cb 0.42 -1.67 0.43 0.00 2.41 0.00 0.00 30.24 31.83 2wdm n GLN 136 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdm n ALA 137 N -3.67 1.40 -0.05 1.69 0.00 0.55 -2.18 120.51 118.24 2wdm n ALA 137 Ca -0.39 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2wdm n ALA 137 Cb 0.74 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 2wdm n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdm n VAL 138 N -2.04 1.53 1.17 0.00 0.31 -0.43 -2.90 118.33 115.96 2wdm n VAL 138 Ca 0.01 -0.82 0.01 0.00 -0.01 0.00 0.00 64.34 63.53 2wdm n VAL 138 Cb 0.13 -0.82 0.05 0.00 -0.91 0.00 0.00 33.84 32.30 2wdm n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2wdm n GLN 139 N -2.94 1.41 0.00 5.55 -0.06 -0.93 -2.64 117.38 117.78 2wdm n GLN 139 Ca -0.23 -0.42 -0.02 0.00 -2.00 0.00 0.00 57.00 54.33 2wdm n GLN 139 Cb 1.09 -1.36 -0.01 0.00 -4.06 0.00 0.00 30.24 25.90 2wdm n GLN 139 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2wdm n ARG 140 N -0.04 0.11 0.12 3.69 0.63 -1.16 -3.82 116.66 116.19 2wdm n ARG 140 Ca 0.04 0.05 0.20 0.00 -0.92 0.00 0.00 57.85 57.21 2wdm n ARG 140 Cb 0.25 -0.59 0.76 0.00 0.45 0.00 0.00 32.46 33.33 2wdm n ARG 140 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wdm h VAL 141 N -0.22 0.39 0.13 5.15 2.07 -1.57 0.26 116.25 122.47 2wdm h VAL 141 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 2wdm h VAL 141 Cb 0.22 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2wdm h VAL 141 CO 0.00 0.00 -1.79 0.24 0.02 0.00 0.00 177.57 176.04 2wdm h MET 142 N 0.00 0.27 -0.78 1.57 2.86 -1.77 -3.36 114.93 113.72 2wdm h MET 142 Ca 0.17 -0.46 0.15 0.00 -2.06 0.00 0.00 59.70 57.50 2wdm h MET 142 Cb 0.95 0.17 -0.10 0.00 0.06 0.00 0.00 31.60 32.68 2wdm h MET 142 CO -0.00 1.22 0.32 1.49 1.06 0.00 0.00 176.91 181.00 2wdm h GLU 143 N -0.08 0.45 -2.12 1.72 4.81 -0.67 -1.53 114.58 117.16 2wdm h GLU 143 Ca -0.38 -0.03 -0.44 0.00 -0.13 0.00 0.00 59.36 58.38 2wdm h GLU 143 Cb 1.94 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 31.09 2wdm h GLU 143 CO 0.08 0.30 0.56 -1.13 -0.73 0.00 0.00 179.01 178.09 2wdm n SER 144 N -4.99 6.40 -2.58 1.04 3.41 -0.12 -4.87 113.62 111.91 2wdm n SER 144 Ca 0.15 -2.95 -0.02 0.00 -0.26 0.00 0.00 58.87 55.80 2wdm n SER 144 Cb 0.44 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 2wdm n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdm n GLY 145 N 1.59 -2.63 3.34 5.00 0.00 -0.58 -4.88 105.19 107.02 2wdm n GLY 145 Ca 0.50 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.93 2wdm n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm s ALA 146 N -0.30 -1.10 0.24 4.61 0.00 -1.18 -4.92 121.76 119.10 2wdm s ALA 146 Ca -0.08 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 2wdm s ALA 146 Cb 0.01 -0.56 0.27 0.00 0.00 0.00 0.00 23.12 22.83 2wdm s ALA 146 CO 0.23 -0.23 1.76 0.87 0.00 0.00 0.00 175.76 178.38 2wdm h LYS 147 N 5.04 0.92 -2.11 0.00 1.79 -1.73 -3.47 116.57 117.01 2wdm h LYS 147 Ca -0.28 -0.23 0.09 0.00 -2.18 0.00 0.00 60.65 58.05 2wdm h LYS 147 Cb 1.18 -0.12 -0.17 0.00 -1.58 0.00 0.00 32.23 31.54 2wdm h LYS 147 CO 0.26 0.86 0.47 0.20 -1.08 0.00 0.00 179.45 180.16 2wdm s GLY 148 N -3.62 -0.43 -0.12 3.86 0.00 -1.09 -2.20 107.32 103.72 2wdm s GLY 148 Ca -0.10 1.26 -0.10 0.00 0.00 0.00 0.00 44.72 45.78 2wdm s GLY 148 CO 0.82 0.54 0.31 0.00 0.00 0.00 0.00 173.10 174.77 2wdm s ALA 149 N -2.52 -0.75 -0.11 3.20 0.00 -0.29 0.64 121.76 121.93 2wdm s ALA 149 Ca 0.02 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 2wdm s ALA 149 Cb -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2wdm s ALA 149 CO -0.05 -0.15 0.28 0.21 0.00 0.00 0.00 175.76 176.04 2wdm s LYS 150 N 0.30 0.31 0.02 0.00 2.20 0.91 -0.73 119.74 122.75 2wdm s LYS 150 Ca -0.01 0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 55.97 2wdm s LYS 150 Cb -0.03 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2wdm s LYS 150 CO -0.01 -0.06 0.10 0.08 -0.36 0.00 0.00 175.35 175.10 2wdm s VAL 151 N 0.39 0.11 -0.08 4.02 1.01 -0.16 0.63 120.40 126.31 2wdm s VAL 151 Ca -0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2wdm s VAL 151 Cb -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2wdm s VAL 151 CO -0.02 -0.48 0.34 0.27 0.00 0.00 0.00 175.10 175.21 2wdm s ILE 152 N -1.87 0.02 0.06 2.22 -4.36 -0.56 -2.51 121.20 114.21 2wdm s ILE 152 Ca -0.11 -0.19 0.07 0.00 -0.26 0.00 0.00 60.65 60.16 2wdm s ILE 152 Cb -0.05 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 2wdm s ILE 152 CO -0.01 -0.11 -0.15 -0.69 0.24 0.00 0.00 174.94 174.22 2wdm s VAL 153 N -0.44 3.03 0.00 8.37 1.01 -0.43 -1.31 120.40 130.63 2wdm s VAL 153 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2wdm s VAL 153 Cb -0.04 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2wdm s VAL 153 CO 0.02 0.25 0.00 -1.54 0.00 0.00 0.00 175.10 173.84 2wdm n SER 154 N 1.24 0.00 -4.96 3.32 3.41 -0.02 -1.01 113.62 115.61 2wdm n SER 154 Ca -0.15 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.23 2wdm n SER 154 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 2wdm n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wdm s GLY 155 N 0.00 1.75 -0.77 5.00 0.00 -1.05 -3.60 107.32 108.66 2wdm s GLY 155 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2wdm s GLY 155 CO 0.00 -0.88 0.00 0.54 0.00 0.00 0.00 173.10 172.76 2wdm n ARG 156 N -2.45 -0.56 -1.51 2.90 1.74 -1.26 -4.64 116.66 110.88 2wdm n ARG 156 Ca 0.07 0.65 -0.44 0.00 -0.77 0.00 0.00 57.85 57.36 2wdm n ARG 156 Cb 0.59 -4.50 -0.06 0.00 -1.02 0.00 0.00 32.46 27.47 2wdm n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdm n ILE 157 N -3.17 0.11 -1.20 0.55 5.41 -1.26 -0.37 119.36 119.43 2wdm n ILE 157 Ca -0.08 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.24 2wdm n ILE 157 Cb 0.35 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 2wdm n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wdm n GLY 158 N 6.23 1.02 4.35 7.39 0.00 -1.26 -3.90 105.19 119.02 2wdm n GLY 158 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wdm n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 159 N -0.99 0.18 3.53 -0.02 0.00 0.50 -4.89 105.19 103.49 2wdm n GLY 159 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2wdm n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm n ALA 160 N 0.96 -1.02 -0.14 4.61 0.00 -1.25 -4.87 120.51 118.80 2wdm n ALA 160 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 2wdm n ALA 160 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 2wdm n ALA 160 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wdm h GLU 161 N 1.64 0.79 -5.97 0.00 4.57 -1.93 -3.37 114.58 110.31 2wdm h GLU 161 Ca -0.36 -0.30 -0.52 0.00 -1.18 0.00 0.00 59.36 56.99 2wdm h GLU 161 Cb 1.37 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.83 2wdm h GLU 161 CO 0.59 0.91 1.37 -1.14 -1.18 0.00 0.00 179.01 179.56 2wdm s GLN 162 N -4.82 3.34 0.23 1.92 2.00 -1.26 -4.92 119.66 116.15 2wdm s GLN 162 Ca -0.12 -1.00 -0.31 0.00 -2.00 0.00 0.00 55.36 51.92 2wdm s GLN 162 Cb 0.10 -5.30 -0.11 0.00 0.80 0.00 0.00 33.01 28.50 2wdm s GLN 162 CO 0.82 -2.55 1.63 0.00 -0.50 0.00 0.00 175.29 174.69 2wdm s ALA 163 N 6.34 3.83 0.00 1.58 0.00 -1.26 -4.67 121.76 127.58 2wdm s ALA 163 Ca 0.53 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2wdm s ALA 163 Cb -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2wdm s ALA 163 CO -0.05 -0.90 0.00 0.54 0.00 0.00 0.00 175.76 175.34 2wdm n ARG 164 N 3.30 1.55 -3.59 0.00 1.74 -1.26 -4.74 116.66 113.65 2wdm n ARG 164 Ca 0.12 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 2wdm n ARG 164 Cb 0.37 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.75 2wdm n ARG 164 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wdm s THR 165 N 3.55 -0.28 -0.39 0.55 -1.32 -1.24 -2.54 115.64 113.98 2wdm s THR 165 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 2wdm s THR 165 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2wdm s THR 165 CO 0.00 0.00 0.22 -0.70 -2.21 0.00 0.00 174.62 171.93 2wdm s GLU 166 N 1.92 2.71 0.50 7.08 2.56 -0.18 -4.96 118.70 128.34 2wdm s GLU 166 Ca -0.07 -1.25 -0.06 0.00 0.00 0.00 0.00 54.97 53.58 2wdm s GLU 166 Cb -0.06 -3.73 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 2wdm s GLU 166 CO -0.17 -0.81 0.82 -0.46 -0.56 0.00 0.00 175.26 174.07 2wdm s TRP 167 N 1.49 3.57 0.00 5.30 -0.00 -1.26 -1.31 118.94 126.73 2wdm s TRP 167 Ca 0.02 0.87 0.00 0.00 -0.00 0.00 0.00 56.10 56.99 2wdm s TRP 167 Cb -0.21 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 30.91 2wdm s TRP 167 CO 0.04 -0.33 0.00 0.00 -0.00 0.00 0.00 176.95 176.66 2wdm n ALA 168 N -2.32 0.00 -3.63 5.86 0.00 -1.04 -4.96 120.51 114.41 2wdm n ALA 168 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2wdm n ALA 168 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2wdm n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdm s ALA 169 N -0.39 -2.12 0.29 0.00 0.00 -1.26 -0.99 121.76 117.29 2wdm s ALA 169 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 51.96 53.82 2wdm s ALA 169 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2wdm s ALA 169 CO 0.00 -0.36 0.17 -1.14 0.00 0.00 0.00 175.76 174.43 2wdm s GLN 170 N -1.44 1.54 1.96 0.00 0.74 0.09 -4.99 119.66 117.56 2wdm s GLN 170 Ca 0.09 -1.87 0.00 0.00 0.05 0.00 0.00 55.36 53.63 2wdm s GLN 170 Cb -0.01 0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.12 2wdm s GLN 170 CO -0.06 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 2wdm n GLY 171 N -0.53 -0.95 3.88 2.59 0.00 -1.26 -1.14 105.19 107.78 2wdm n GLY 171 Ca 0.02 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 2wdm n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdm s ARG 172 N 0.00 3.42 -0.43 1.61 0.52 -0.94 -4.76 118.95 118.37 2wdm s ARG 172 Ca 0.00 -0.20 0.07 0.00 -0.52 0.00 0.00 55.73 55.08 2wdm s ARG 172 Cb 0.00 -3.14 0.23 0.00 0.52 0.00 0.00 34.95 32.56 2wdm s ARG 172 CO 0.00 0.74 0.61 0.28 0.02 0.00 0.00 175.30 176.96 2wdm n VAL 173 N 1.67 -0.53 -2.54 3.52 0.31 -1.26 -3.27 118.33 116.23 2wdm n VAL 173 Ca -0.17 -2.93 -0.41 0.00 -0.01 0.00 0.00 64.34 60.82 2wdm n VAL 173 Cb 0.54 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.77 2wdm n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2wdm s PRO 174 N -0.26 3.36 0.01 5.55 0.04 -1.26 -4.81 135.00 137.63 2wdm s PRO 174 Ca 0.33 -0.65 0.20 0.00 0.04 0.00 0.00 61.00 60.93 2wdm s PRO 174 Cb 0.15 -4.76 0.86 0.00 0.04 0.00 0.00 34.50 30.79 2wdm s PRO 174 CO -0.16 -2.21 1.65 1.28 0.04 0.00 0.00 177.00 177.61 2wdm n LEU 175 N 9.26 0.04 -0.96 -3.56 4.77 -1.26 -2.63 117.00 122.67 2wdm n LEU 175 Ca 0.18 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 2wdm n LEU 175 Cb 0.50 -0.50 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 2wdm n LEU 175 CO 0.68 -0.17 0.71 1.41 -1.33 0.00 0.00 177.39 178.70 2wdm n HIS 176 N -1.54 0.30 -3.89 -1.77 8.25 -1.26 -4.89 115.22 110.43 2wdm n HIS 176 Ca 0.05 -0.15 -0.35 0.00 -0.26 0.00 0.00 57.72 57.00 2wdm n HIS 176 Cb 0.24 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 2wdm n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wdm s THR 177 N -1.70 5.17 0.01 1.59 2.01 -1.08 -5.01 115.64 116.63 2wdm s THR 177 Ca 0.35 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.25 2wdm s THR 177 Cb 0.21 -3.32 -0.22 0.00 0.01 0.00 0.00 72.50 69.19 2wdm s THR 177 CO 0.30 0.49 1.13 -0.07 -0.69 0.00 0.00 174.62 175.79 2wdm h LEU 178 N 6.24 0.50 -3.98 4.42 -0.00 -1.90 -3.29 115.31 117.31 2wdm h LEU 178 Ca -0.43 -0.72 -0.11 0.00 -0.00 0.00 0.00 57.88 56.62 2wdm h LEU 178 Cb 1.17 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.64 2wdm h LEU 178 CO 0.69 1.15 -0.15 -2.11 -0.00 0.00 0.00 178.44 178.03 2wdm n ARG 179 N -4.28 1.37 -0.09 1.13 1.85 -1.26 -4.09 116.66 111.29 2wdm n ARG 179 Ca -0.09 -0.59 -0.19 0.00 -1.00 0.00 0.00 57.85 55.98 2wdm n ARG 179 Cb 0.62 -1.70 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 2wdm n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdm n ALA 180 N 2.37 1.56 -2.87 2.89 0.00 -1.24 -3.92 120.51 119.31 2wdm n ALA 180 Ca 0.25 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 2wdm n ALA 180 Cb 0.64 0.19 0.01 0.00 0.00 0.00 0.00 19.45 20.29 2wdm n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wdm n ASN 181 N -4.03 -7.92 -4.04 0.00 5.15 -1.26 -4.19 115.26 98.96 2wdm n ASN 181 Ca -0.34 0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 53.84 2wdm n ASN 181 Cb 0.69 -5.34 -0.15 0.00 -0.53 0.00 0.00 39.78 34.44 2wdm n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wdm s ILE 182 N -2.60 1.98 0.20 -1.44 1.01 -1.26 -2.78 121.20 116.31 2wdm s ILE 182 Ca 0.25 -1.41 -0.32 0.00 0.00 0.00 0.00 60.65 59.16 2wdm s ILE 182 Cb -0.07 -2.08 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 2wdm s ILE 182 CO 0.77 0.05 1.72 -0.62 0.00 0.00 0.00 174.94 176.86 2wdm s ASP 183 N 1.21 6.40 -0.11 3.58 3.68 -0.68 -4.67 116.67 126.08 2wdm s ASP 183 Ca -0.06 2.84 0.04 0.00 2.13 0.00 0.00 52.55 57.50 2wdm s ASP 183 Cb -0.19 -2.60 0.00 0.00 -1.45 0.00 0.00 42.92 38.69 2wdm s ASP 183 CO -0.06 -0.96 -0.23 -0.47 0.13 0.00 0.00 175.17 173.57 2wdm s TYR 184 N 1.27 2.59 0.06 -5.34 5.04 -1.25 -1.24 117.35 118.47 2wdm s TYR 184 Ca 0.75 -1.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.31 2wdm s TYR 184 Cb -0.49 -1.73 -0.03 0.00 0.35 0.00 0.00 41.96 40.06 2wdm s TYR 184 CO 0.32 -0.45 -0.09 0.20 -1.34 0.00 0.00 175.55 174.18 2wdm s GLY 185 N 0.43 0.63 -0.17 8.97 0.00 -0.68 -4.42 107.32 112.09 2wdm s GLY 185 Ca -0.17 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2wdm s GLY 185 CO 0.07 -0.94 0.18 -0.12 0.00 0.00 0.00 173.10 172.29 2wdm s PHE 186 N -1.56 -0.15 0.20 1.90 5.36 -1.26 -0.98 117.98 121.50 2wdm s PHE 186 Ca -0.06 0.20 0.09 0.00 -0.96 0.00 0.00 56.93 56.20 2wdm s PHE 186 Cb -0.09 -0.41 -0.04 0.00 -0.34 0.00 0.00 43.02 42.14 2wdm s PHE 186 CO 0.01 -0.50 -0.06 0.00 -1.46 0.00 0.00 175.22 173.21 2wdm s ALA 187 N 2.28 3.03 0.04 11.12 0.00 -1.12 -4.95 121.76 132.16 2wdm s ALA 187 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2wdm s ALA 187 Cb -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2wdm s ALA 187 CO -0.10 0.43 0.00 1.28 0.00 0.00 0.00 175.76 177.37 2wdm n LEU 188 N -0.17 0.00 0.00 0.00 7.99 -1.26 -1.24 117.00 122.32 2wdm n LEU 188 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2wdm n LEU 188 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2wdm n LEU 188 CO 0.37 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.25 2wdm n ALA 189 N -3.00 0.00 -2.83 -1.18 0.00 -1.26 -4.66 120.51 107.58 2wdm n ALA 189 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2wdm n ALA 189 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wdm n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdm n ARG 190 N -0.15 2.32 0.00 0.00 1.74 -1.26 -3.02 116.66 116.29 2wdm n ARG 190 Ca 0.00 -4.10 0.00 0.00 -0.77 0.00 0.00 57.85 52.98 2wdm n ARG 190 Cb 0.00 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 2wdm n ARG 190 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wdm n THR 191 N -0.14 0.00 -0.03 0.55 -2.24 -1.18 -4.94 114.28 106.29 2wdm n THR 191 Ca 0.27 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.87 2wdm n THR 191 Cb 0.61 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 2wdm n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wdm h THR 192 N -1.65 1.39 0.00 4.28 2.02 -1.98 -3.33 112.91 113.64 2wdm h THR 192 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2wdm h THR 192 Cb 0.00 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2wdm h THR 192 CO 0.00 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.49 2wdm n TYR 193 N -4.31 0.62 -0.02 3.16 0.18 -1.26 -4.94 117.16 110.59 2wdm n TYR 193 Ca -0.19 0.30 0.00 0.00 1.88 0.00 0.00 57.90 59.90 2wdm n TYR 193 Cb 0.69 -0.98 0.00 0.00 -0.38 0.00 0.00 39.34 38.67 2wdm n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2wdm n GLY 194 N -0.96 0.93 3.90 -7.48 0.00 -1.25 -5.01 105.19 95.33 2wdm n GLY 194 Ca -0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 2wdm n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 195 N -1.22 3.34 0.00 1.61 1.01 -1.26 -3.13 120.40 120.74 2wdm s VAL 195 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2wdm s VAL 195 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2wdm s VAL 195 CO 0.00 -0.45 0.00 0.18 0.00 0.00 0.00 175.10 174.83 2wdm n LEU 196 N -2.83 0.00 -3.53 3.92 7.99 -1.17 -4.78 117.00 116.60 2wdm n LEU 196 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.05 2wdm n LEU 196 Cb 0.58 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.84 2wdm n LEU 196 CO 0.55 0.00 0.59 -0.83 -1.51 0.00 0.00 177.39 176.19 2wdm s GLY 197 N -0.34 -0.19 -0.05 -0.72 0.00 -1.26 -4.52 107.32 100.23 2wdm s GLY 197 Ca 0.00 2.98 0.04 0.00 0.00 0.00 0.00 44.72 47.75 2wdm s GLY 197 CO 0.00 2.95 -0.18 0.14 0.00 0.00 0.00 173.10 176.01 2wdm s VAL 198 N 2.05 2.77 -0.08 1.40 1.01 -0.37 -0.83 120.40 126.34 2wdm s VAL 198 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2wdm s VAL 198 Cb -0.06 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2wdm s VAL 198 CO -0.17 0.58 -0.10 -0.54 0.00 0.00 0.00 175.10 174.88 2wdm s LYS 199 N -0.58 1.55 -0.10 2.72 1.02 -0.43 -2.81 119.74 121.10 2wdm s LYS 199 Ca 0.08 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.78 2wdm s LYS 199 Cb -0.11 -1.41 -0.00 0.00 -0.52 0.00 0.00 37.83 35.79 2wdm s LYS 199 CO 0.01 -0.09 -0.22 0.00 -0.92 0.00 0.00 175.35 174.13 2wdm s ALA 200 N 1.06 2.27 -0.12 5.17 0.00 -0.15 -1.49 121.76 128.49 2wdm s ALA 200 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2wdm s ALA 200 Cb -0.15 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2wdm s ALA 200 CO -0.01 0.30 -0.12 0.71 0.00 0.00 0.00 175.76 176.64 2wdm s TYR 201 N 0.27 1.85 -0.25 0.00 1.51 0.20 -1.68 117.35 119.25 2wdm s TYR 201 Ca -0.15 -0.95 0.02 0.00 -1.01 0.00 0.00 57.07 54.98 2wdm s TYR 201 Cb -0.17 -1.40 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 2wdm s TYR 201 CO 0.08 -0.55 -0.08 0.42 -1.11 0.00 0.00 175.55 174.31 2wdm s ILE 202 N 1.41 1.86 -0.00 2.71 -1.09 -0.37 -0.06 121.20 125.65 2wdm s ILE 202 Ca 0.01 -1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 56.67 2wdm s ILE 202 Cb -0.13 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2wdm s ILE 202 CO -0.07 -0.09 1.12 0.12 -1.23 0.00 0.00 174.94 174.79 2wdm s PHE 203 N 1.24 3.44 0.00 3.97 5.36 0.21 -1.68 117.98 130.51 2wdm s PHE 203 Ca -0.07 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2wdm s PHE 203 Cb -0.19 -3.31 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 2wdm s PHE 203 CO -0.06 -0.83 0.00 1.28 -1.46 0.00 0.00 175.22 174.15 2wdm n LEU 204 N 4.37 0.00 -4.60 6.12 4.77 -1.12 -2.20 117.00 124.34 2wdm n LEU 204 Ca 0.09 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.61 2wdm n LEU 204 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2wdm n LEU 204 CO 0.54 0.00 0.66 0.61 -1.33 0.00 0.00 177.39 177.87 2wdm n GLY 205 N 4.19 -0.05 0.00 -0.72 0.00 -1.26 -4.72 105.19 102.62 2wdm n GLY 205 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2wdm n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wdm n GLU 206 N 1.08 0.00 0.00 1.61 2.13 -1.26 -4.42 120.64 119.77 2wdm n GLU 206 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2wdm n GLU 206 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 2wdm n GLU 206 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wdm n VAL 207 N 0.00 0.00 0.00 6.31 0.31 -1.25 -4.73 118.33 118.96 2wdm n VAL 207 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdm n VAL 207 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdm n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51