#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcw h LYS 4 N 0.00 0.70 -0.50 -1.46 1.57 -2.05 -1.29 116.57 113.54 2wcw h LYS 4 Ca 0.00 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2wcw h LYS 4 Cb 0.00 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.05 2wcw h LYS 4 CO 0.00 0.49 -0.36 0.78 -0.57 0.00 0.00 179.45 179.78 2wcw h GLY 5 N 0.75 -0.28 1.18 3.86 0.00 -2.00 0.12 103.07 106.69 2wcw h GLY 5 Ca 0.19 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 2wcw h GLY 5 CO -0.04 -0.20 0.44 -0.84 0.00 0.00 0.00 176.54 175.90 2wcw h THR 6 N -0.23 1.23 -0.75 4.70 2.02 -1.78 -1.68 112.91 116.43 2wcw h THR 6 Ca 0.19 -0.55 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2wcw h THR 6 Cb 0.56 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 2wcw h THR 6 CO -0.62 0.25 0.44 -0.09 0.37 0.00 0.00 175.52 175.87 2wcw h ARG 7 N 1.09 0.79 0.04 6.66 2.43 0.25 1.00 114.38 126.63 2wcw h ARG 7 Ca 0.28 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.18 2wcw h ARG 7 Cb 0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2wcw h ARG 7 CO -0.05 0.52 -1.00 0.74 -1.51 0.00 0.00 179.97 178.67 2wcw h PHE 8 N 0.81 0.32 -0.53 2.20 0.04 -0.70 -1.87 116.94 117.22 2wcw h PHE 8 Ca 0.33 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 2wcw h PHE 8 Cb 0.17 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2wcw h PHE 8 CO -0.06 1.08 0.25 0.93 -0.60 0.00 0.00 178.31 179.91 2wcw h GLU 9 N 0.09 0.77 -0.49 1.51 5.08 -0.90 -1.32 114.58 119.32 2wcw h GLU 9 Ca -0.07 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2wcw h GLU 9 Cb 1.69 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 2wcw h GLU 9 CO 0.15 0.64 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 2wcw h ARG 10 N 0.71 0.83 -0.38 2.33 3.08 -0.74 -0.76 114.38 119.47 2wcw h ARG 10 Ca 0.18 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wcw h ARG 10 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2wcw h ARG 10 CO -0.02 0.85 0.22 0.22 -1.07 0.00 0.00 179.97 180.17 2wcw h ASP 11 N 0.77 0.46 -0.60 7.04 3.58 -0.99 -2.07 116.42 124.61 2wcw h ASP 11 Ca 0.14 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2wcw h ASP 11 Cb 0.49 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2wcw h ASP 11 CO 0.02 0.39 0.20 0.25 -2.88 0.00 0.00 179.24 177.22 2wcw h LEU 12 N 0.49 0.89 -0.78 2.28 5.85 -0.92 -1.86 115.31 121.26 2wcw h LEU 12 Ca 0.13 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2wcw h LEU 12 Cb 0.02 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2wcw h LEU 12 CO -0.02 0.84 0.52 0.25 -0.34 0.00 0.00 178.44 179.68 2wcw h LEU 13 N 0.93 0.90 -0.54 2.25 5.85 -0.79 0.44 115.31 124.35 2wcw h LEU 13 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2wcw h LEU 13 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wcw h LEU 13 CO -0.01 0.65 0.25 0.58 -0.34 0.00 0.00 178.44 179.57 2wcw h VAL 14 N 1.06 1.21 -0.28 1.05 2.07 -1.01 -1.51 116.25 118.83 2wcw h VAL 14 Ca 0.29 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 2wcw h VAL 14 Cb -0.12 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2wcw h VAL 14 CO -0.06 0.24 -0.18 -0.33 0.02 0.00 0.00 177.57 177.25 2wcw h GLU 15 N 0.73 0.50 -0.14 1.57 4.39 -0.71 -1.72 114.58 119.19 2wcw h GLU 15 Ca 0.18 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2wcw h GLU 15 Cb 0.14 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2wcw h GLU 15 CO -0.02 0.66 0.02 -0.07 -1.16 0.00 0.00 179.01 178.44 2wcw h LEU 16 N 0.45 0.23 -0.91 1.33 3.38 -0.57 -1.62 115.31 117.60 2wcw h LEU 16 Ca 0.08 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2wcw h LEU 16 Cb 0.57 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2wcw h LEU 16 CO 0.04 0.44 0.58 -0.50 0.09 0.00 0.00 178.44 179.09 2wcw h TRP 17 N 0.01 1.10 0.00 1.13 4.06 -1.11 -1.20 115.95 119.93 2wcw h TRP 17 Ca 0.04 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 2wcw h TRP 17 Cb 0.31 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 2wcw h TRP 17 CO 0.02 0.62 -0.13 0.87 -3.56 0.00 0.00 178.44 176.27 2wcw h LYS 18 N 1.13 0.00 -0.13 0.49 1.57 -1.13 -1.90 116.57 116.59 2wcw h LYS 18 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2wcw h LYS 18 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wcw h LYS 18 CO -0.12 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2wcw n ALA 19 N -2.46 2.54 -0.30 3.86 0.00 -0.61 -4.91 120.51 118.63 2wcw n ALA 19 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2wcw n ALA 19 Cb 0.20 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2wcw n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcw n GLY 20 N 1.03 0.85 3.85 0.00 0.00 -0.71 -4.95 105.19 105.26 2wcw n GLY 20 Ca 0.15 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2wcw n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wcw s PHE 21 N -2.00 3.56 -0.08 1.61 0.08 -0.55 -4.58 117.98 116.01 2wcw s PHE 21 Ca 0.00 0.49 -0.25 0.00 0.12 0.00 0.00 56.93 57.29 2wcw s PHE 21 Cb 0.00 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2wcw s PHE 21 CO 0.00 0.66 0.78 0.00 -0.10 0.00 0.00 175.22 176.56 2wcw s ALA 22 N -0.80 3.35 0.03 5.36 0.00 -0.01 -3.13 121.76 126.55 2wcw s ALA 22 Ca 0.14 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2wcw s ALA 22 Cb -0.12 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2wcw s ALA 22 CO 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 175.76 175.49 2wcw s ALA 23 N 1.15 0.35 0.06 0.00 0.00 -1.26 -0.99 121.76 121.07 2wcw s ALA 23 Ca 0.40 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2wcw s ALA 23 Cb -0.18 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2wcw s ALA 23 CO 0.18 -0.12 -0.09 0.96 0.00 0.00 0.00 175.76 176.70 2wcw s ILE 24 N -1.63 0.69 0.17 0.00 -5.25 -0.14 -5.00 121.20 110.04 2wcw s ILE 24 Ca -0.11 -1.24 -0.19 0.00 -0.99 0.00 0.00 60.65 58.12 2wcw s ILE 24 Cb -0.09 -0.85 -0.08 0.00 2.95 0.00 0.00 42.46 44.40 2wcw s ILE 24 CO -0.01 -0.41 0.66 -0.13 -1.79 0.00 0.00 174.94 173.26 2wcw s ARG 25 N -1.90 4.21 -0.12 0.37 0.52 -1.26 -1.77 118.95 118.99 2wcw s ARG 25 Ca -0.05 0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 55.75 2wcw s ARG 25 Cb -0.08 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2wcw s ARG 25 CO 0.00 0.48 0.53 0.08 0.02 0.00 0.00 175.30 176.41 2wcw s VAL 26 N -1.39 5.14 0.29 3.52 1.01 -0.22 -4.95 120.40 123.80 2wcw s VAL 26 Ca 0.38 1.05 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 2wcw s VAL 26 Cb -0.17 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 2wcw s VAL 26 CO 0.21 0.28 0.94 0.00 0.00 0.00 0.00 175.10 176.53 2wcw s ALA 27 N 0.86 3.27 0.00 5.51 0.00 -1.26 -4.94 121.76 125.20 2wcw s ALA 27 Ca 0.28 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2wcw s ALA 27 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2wcw s ALA 27 CO 0.12 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2wcw n GLY 28 N 0.99 1.94 3.06 0.00 0.00 -1.26 -5.13 105.19 104.80 2wcw n GLY 28 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2wcw n GLY 28 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wcw n PHE 34 N 12.50 -3.14 -1.92 1.61 3.72 -1.26 -5.02 117.46 123.96 2wcw n PHE 34 Ca 0.00 1.25 -0.41 0.00 -0.05 0.00 0.00 57.45 58.23 2wcw n PHE 34 Cb 0.00 -3.75 -0.02 0.00 -0.94 0.00 0.00 39.48 34.77 2wcw n PHE 34 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wcw s PRO 35 N -2.90 4.21 -0.03 -1.08 0.04 -1.26 -5.01 135.00 128.98 2wcw s PRO 35 Ca 0.16 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 2wcw s PRO 35 Cb -0.04 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.44 2wcw s PRO 35 CO 0.79 -0.50 0.05 0.00 0.04 0.00 0.00 177.00 177.37 2wcw n PRO 37 N 3.72 -0.37 -0.03 0.00 -0.04 -1.26 -4.87 135.00 132.14 2wcw n PRO 37 Ca -0.21 -0.67 -0.13 0.00 -0.04 0.00 0.00 63.50 62.45 2wcw n PRO 37 Cb 0.54 -0.43 -0.14 0.00 -0.04 0.00 0.00 33.50 33.44 2wcw n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wcw n ASP 38 N -3.26 1.21 -4.00 3.54 8.00 -0.09 -4.64 116.55 117.31 2wcw n ASP 38 Ca 0.05 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.65 2wcw n ASP 38 Cb 0.18 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2wcw n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wcw s ILE 39 N -2.57 0.53 -0.03 0.53 1.01 -0.72 -1.05 121.20 118.90 2wcw s ILE 39 Ca -0.13 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2wcw s ILE 39 Cb 0.07 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 2wcw s ILE 39 CO 0.79 0.00 -0.20 -0.69 0.00 0.00 0.00 174.94 174.84 2wcw s VAL 40 N -0.48 1.65 0.05 2.92 1.01 -0.73 -0.89 120.40 123.93 2wcw s VAL 40 Ca -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2wcw s VAL 40 Cb -0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2wcw s VAL 40 CO 0.00 0.47 0.03 0.00 0.00 0.00 0.00 175.10 175.60 2wcw s ALA 41 N -0.28 0.19 0.02 5.51 0.00 -0.55 -0.97 121.76 125.67 2wcw s ALA 41 Ca 0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2wcw s ALA 41 Cb -0.10 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2wcw s ALA 41 CO 0.01 -0.33 0.53 0.20 0.00 0.00 0.00 175.76 176.16 2wcw s GLY 42 N -2.43 -0.42 -0.01 0.00 0.00 -0.16 -0.23 107.32 104.07 2wcw s GLY 42 Ca -0.01 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.45 2wcw s GLY 42 CO -0.07 0.42 0.89 1.16 0.00 0.00 0.00 173.10 175.51 2wcw n ASN 43 N 0.65 1.52 0.00 1.64 0.23 -0.61 -0.83 115.26 117.85 2wcw n ASN 43 Ca -0.19 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 2wcw n ASN 43 Cb 0.59 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2wcw n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wcw n GLY 44 N -0.43 2.00 0.00 4.83 0.00 -1.26 -4.76 105.19 105.58 2wcw n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wcw n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wcw n ARG 45 N -1.44 0.07 -4.85 1.61 1.85 -1.26 -5.06 116.66 107.58 2wcw n ARG 45 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 2wcw n ARG 45 Cb 0.00 -0.51 -0.14 0.00 -1.05 0.00 0.00 32.46 30.76 2wcw n ARG 45 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2wcw s THR 46 N -1.03 3.05 -0.04 8.89 2.01 -1.26 -5.12 115.64 122.14 2wcw s THR 46 Ca 0.00 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2wcw s THR 46 Cb 0.00 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2wcw s THR 46 CO 0.00 0.56 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.96 2wcw s TYR 47 N -0.28 2.45 -0.03 4.92 2.02 -1.26 -1.58 117.35 123.59 2wcw s TYR 47 Ca 0.02 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 2wcw s TYR 47 Cb -0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2wcw s TYR 47 CO 0.03 -0.06 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.19 2wcw s LEU 48 N -0.46 2.10 -0.18 -1.29 1.43 0.68 -0.25 118.68 120.71 2wcw s LEU 48 Ca 0.05 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2wcw s LEU 48 Cb -0.11 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2wcw s LEU 48 CO 0.01 0.31 -0.18 0.00 0.23 0.00 0.00 176.35 176.72 2wcw s ALA 49 N -0.57 2.24 -0.09 4.21 0.00 -0.37 -1.49 121.76 125.70 2wcw s ALA 49 Ca 0.09 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2wcw s ALA 49 Cb -0.10 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2wcw s ALA 49 CO -0.00 -0.41 -0.16 0.42 0.00 0.00 0.00 175.76 175.61 2wcw s ILE 50 N 1.32 1.48 -0.19 0.00 1.01 -0.07 -1.33 121.20 123.42 2wcw s ILE 50 Ca 0.04 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 2wcw s ILE 50 Cb -0.13 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2wcw s ILE 50 CO -0.12 0.43 0.37 -0.70 0.00 0.00 0.00 174.94 174.92 2wcw s GLU 51 N 0.68 4.20 -0.20 2.79 2.56 -0.37 -0.91 118.70 127.46 2wcw s GLU 51 Ca -0.13 0.18 -0.05 0.00 0.00 0.00 0.00 54.97 54.96 2wcw s GLU 51 Cb -0.16 -3.51 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 2wcw s GLU 51 CO 0.03 0.03 0.01 0.08 -0.56 0.00 0.00 175.26 174.86 2wcw s VAL 52 N 1.10 4.10 0.02 3.70 1.01 -1.26 -0.70 120.40 128.37 2wcw s VAL 52 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2wcw s VAL 52 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2wcw s VAL 52 CO 0.07 0.43 -0.09 -0.54 0.00 0.00 0.00 175.10 174.97 2wcw s LYS 53 N 0.88 0.65 -0.06 2.72 -0.14 0.28 -4.98 119.74 119.09 2wcw s LYS 53 Ca 0.01 -0.57 0.03 0.00 -1.36 0.00 0.00 55.97 54.09 2wcw s LYS 53 Cb -0.14 -0.57 0.00 0.00 -1.68 0.00 0.00 37.83 35.44 2wcw s LYS 53 CO 0.02 0.14 -0.16 1.41 -0.76 0.00 0.00 175.35 176.00 2wcw s MET 54 N -0.94 1.97 0.01 1.68 -2.45 -1.26 -1.12 119.30 117.19 2wcw s MET 54 Ca -0.02 -0.58 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 2wcw s MET 54 Cb -0.07 -1.62 -0.01 0.00 1.25 0.00 0.00 34.83 34.38 2wcw s MET 54 CO 0.00 0.14 -0.13 1.03 1.05 0.00 0.00 175.02 177.12 2wcw s ARG 55 N 0.34 0.95 0.30 4.11 1.81 -0.79 -4.96 118.95 120.71 2wcw s ARG 55 Ca -0.11 -0.58 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 2wcw s ARG 55 Cb -0.14 -0.93 0.47 0.00 -0.45 0.00 0.00 34.95 33.89 2wcw s ARG 55 CO 0.04 0.24 1.77 -0.22 -0.68 0.00 0.00 175.30 176.45 2wcw h LYS 56 N 5.41 0.50 -3.46 3.54 3.64 -1.98 -3.37 116.57 120.85 2wcw h LYS 56 Ca -0.35 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 58.75 2wcw h LYS 56 Cb 1.17 -0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 32.76 2wcw h LYS 56 CO 0.47 0.66 -0.40 -1.21 -2.27 0.00 0.00 179.45 176.69 2wcw s GLU 57 N -4.65 0.63 0.72 1.90 2.02 -1.26 -4.57 118.70 113.49 2wcw s GLU 57 Ca -0.07 -0.49 -0.12 0.00 0.02 0.00 0.00 54.97 54.30 2wcw s GLU 57 Cb 0.14 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.67 2wcw s GLU 57 CO 0.78 -0.17 1.10 -0.51 0.02 0.00 0.00 175.26 176.48 2wcw s LEU 58 N -1.76 3.19 0.54 1.80 1.43 -1.26 -4.66 118.68 117.96 2wcw s LEU 58 Ca -0.09 1.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2wcw s LEU 58 Cb -0.04 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.65 2wcw s LEU 58 CO -0.01 -1.88 0.80 -2.16 0.23 0.00 0.00 176.35 173.34 2wcw s PRO 59 N -4.54 2.93 -0.22 1.29 0.04 -1.26 -5.02 135.00 128.22 2wcw s PRO 59 Ca 0.64 -0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 2wcw s PRO 59 Cb -0.19 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2wcw s PRO 59 CO 0.50 -0.54 0.40 -1.17 0.04 0.00 0.00 177.00 176.22 2wcw s LEU 60 N -4.81 4.12 -0.12 -3.56 2.96 -0.33 -4.95 118.68 111.99 2wcw s LEU 60 Ca 0.52 0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 54.84 2wcw s LEU 60 Cb -0.10 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2wcw s LEU 60 CO 0.42 -0.11 0.06 -0.31 -1.32 0.00 0.00 176.35 175.09 2wcw s TYR 61 N 1.55 3.32 0.04 5.38 2.02 -1.26 -0.56 117.35 127.84 2wcw s TYR 61 Ca 0.18 0.26 0.07 0.00 -0.37 0.00 0.00 57.07 57.21 2wcw s TYR 61 Cb -0.15 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2wcw s TYR 61 CO 0.08 0.46 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.82 2wcw s LEU 62 N -0.58 2.15 0.58 -1.29 1.02 -0.01 -5.00 118.68 115.56 2wcw s LEU 62 Ca 0.11 -0.49 -0.18 0.00 0.02 0.00 0.00 54.13 53.59 2wcw s LEU 62 Cb -0.12 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 2wcw s LEU 62 CO 0.02 0.15 1.10 -0.94 0.02 0.00 0.00 176.35 176.70 2wcw s SER 63 N -1.10 5.60 0.26 2.29 1.04 -1.26 -1.09 113.70 119.44 2wcw s SER 63 Ca 0.06 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.52 2wcw s SER 63 Cb -0.08 -2.56 0.43 0.00 0.10 0.00 0.00 66.02 63.90 2wcw s SER 63 CO 0.01 -1.30 1.86 0.00 0.98 0.00 0.00 173.24 174.79 2wcw h ALA 64 N 0.77 1.38 -0.54 5.32 0.00 -1.89 -2.64 119.26 121.66 2wcw h ALA 64 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2wcw h ALA 64 Cb 1.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wcw h ALA 64 CO 0.56 0.34 0.27 0.22 0.00 0.00 0.00 179.25 180.64 2wcw h ASP 65 N 1.07 0.70 -0.74 0.00 3.58 -1.92 0.46 116.42 119.58 2wcw h ASP 65 Ca 0.44 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 2wcw h ASP 65 Cb 0.27 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2wcw h ASP 65 CO -0.20 0.62 0.31 -0.08 -2.88 0.00 0.00 179.24 177.01 2wcw h GLU 66 N 0.73 1.09 -0.22 0.28 4.81 -1.86 -0.53 114.58 118.87 2wcw h GLU 66 Ca 0.19 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2wcw h GLU 66 Cb 0.10 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2wcw h GLU 66 CO -0.03 0.88 -0.21 0.28 -0.73 0.00 0.00 179.01 179.20 2wcw h VAL 67 N 1.05 1.32 -0.70 0.32 2.07 -1.25 -2.06 116.25 117.00 2wcw h VAL 67 Ca 0.25 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2wcw h VAL 67 Cb 0.18 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2wcw h VAL 67 CO -0.02 0.42 0.43 -0.08 0.02 0.00 0.00 177.57 178.34 2wcw h GLU 68 N 0.23 0.80 -0.72 1.57 4.81 -0.68 -0.79 114.58 119.80 2wcw h GLU 68 Ca 0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2wcw h GLU 68 Cb 0.76 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2wcw h GLU 68 CO 0.05 0.53 0.21 1.96 -0.73 0.00 0.00 179.01 181.03 2wcw h GLN 69 N 0.82 1.12 -0.39 1.92 4.20 -1.03 -0.48 115.11 121.28 2wcw h GLN 69 Ca 0.29 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wcw h GLN 69 Cb 0.07 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2wcw h GLN 69 CO -0.13 0.97 0.22 1.25 -0.67 0.00 0.00 178.83 180.47 2wcw h LEU 70 N 1.06 0.47 -0.38 1.46 5.85 -0.75 -0.42 115.31 122.61 2wcw h LEU 70 Ca 0.23 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wcw h LEU 70 Cb 0.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2wcw h LEU 70 CO -0.00 0.40 0.13 0.58 -0.34 0.00 0.00 178.44 179.21 2wcw h VAL 71 N 0.50 1.21 -0.32 1.05 2.07 -0.93 -0.60 116.25 119.22 2wcw h VAL 71 Ca 0.14 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2wcw h VAL 71 Cb 0.03 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2wcw h VAL 71 CO -0.02 0.23 0.17 0.74 0.02 0.00 0.00 177.57 178.71 2wcw h THR 72 N 0.47 1.15 -0.45 2.57 2.02 -0.92 -0.53 112.91 117.22 2wcw h THR 72 Ca 0.12 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2wcw h THR 72 Cb 0.24 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2wcw h THR 72 CO -0.01 0.15 0.27 0.15 0.37 0.00 0.00 175.52 176.46 2wcw h PHE 73 N 0.39 0.58 -0.62 3.16 3.57 -0.94 -1.99 116.94 121.10 2wcw h PHE 73 Ca 0.11 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2wcw h PHE 73 Cb 0.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2wcw h PHE 73 CO -0.02 0.40 0.14 0.00 -2.23 0.00 0.00 178.31 176.60 2wcw h ALA 74 N 1.13 1.09 -0.28 2.41 0.00 -0.73 -0.33 119.26 122.55 2wcw h ALA 74 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wcw h ALA 74 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2wcw h ALA 74 CO -0.03 0.60 0.14 0.00 0.00 0.00 0.00 179.25 179.97 2wcw h ARG 75 N 0.92 0.40 -0.30 0.00 3.08 -0.90 -0.04 114.38 117.55 2wcw h ARG 75 Ca 0.20 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2wcw h ARG 75 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2wcw h ARG 75 CO 0.00 0.37 -0.08 0.78 -1.07 0.00 0.00 179.97 179.97 2wcw h GLY 76 N 0.33 0.63 1.86 0.04 0.00 -1.02 -3.20 103.07 101.71 2wcw h GLY 76 Ca 0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 2wcw h GLY 76 CO -0.01 0.48 -0.49 -2.75 0.00 0.00 0.00 176.54 173.77 2wcw h PHE 77 N 0.35 0.18 -1.78 5.60 3.57 -1.01 -3.48 116.94 120.37 2wcw h PHE 77 Ca 0.07 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wcw h PHE 77 Cb 0.57 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2wcw h PHE 77 CO 0.05 0.62 0.00 0.41 -2.23 0.00 0.00 178.31 177.16 2wcw n GLY 78 N -0.04 0.53 3.26 2.40 0.00 -0.21 -5.09 105.19 106.05 2wcw n GLY 78 Ca -0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2wcw n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcw s ALA 79 N -2.67 1.53 0.04 4.61 0.00 -0.20 -4.61 121.76 120.46 2wcw s ALA 79 Ca 0.00 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 2wcw s ALA 79 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2wcw s ALA 79 CO 0.00 -0.06 0.87 -1.21 0.00 0.00 0.00 175.76 175.36 2wcw s GLU 80 N -3.65 4.56 -0.15 0.00 2.02 0.65 -4.51 118.70 117.62 2wcw s GLU 80 Ca 0.17 1.24 -0.16 0.00 0.02 0.00 0.00 54.97 56.24 2wcw s GLU 80 Cb 0.02 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2wcw s GLU 80 CO 0.02 0.15 0.37 0.00 0.02 0.00 0.00 175.26 175.82 2wcw s ALA 81 N 0.34 3.54 0.03 5.21 0.00 -1.26 -1.24 121.76 128.38 2wcw s ALA 81 Ca 0.44 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2wcw s ALA 81 Cb -0.21 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2wcw s ALA 81 CO 0.26 0.02 -0.07 0.71 0.00 0.00 0.00 175.76 176.68 2wcw s TYR 82 N 0.60 0.61 -0.23 0.00 2.02 -0.44 -3.21 117.35 116.70 2wcw s TYR 82 Ca 0.20 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.40 2wcw s TYR 82 Cb -0.14 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2wcw s TYR 82 CO 0.07 -0.07 0.15 0.08 -1.57 0.00 0.00 175.55 174.21 2wcw s VAL 83 N -1.08 5.32 -0.20 0.71 1.01 0.22 -1.23 120.40 125.16 2wcw s VAL 83 Ca -0.07 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2wcw s VAL 83 Cb -0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2wcw s VAL 83 CO 0.00 0.37 0.06 0.00 0.00 0.00 0.00 175.10 175.53 2wcw s ALA 84 N 0.92 3.31 -0.10 5.51 0.00 0.13 -0.20 121.76 131.33 2wcw s ALA 84 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wcw s ALA 84 Cb -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2wcw s ALA 84 CO 0.03 0.01 -0.13 -1.17 0.00 0.00 0.00 175.76 174.50 2wcw s LEU 85 N 0.70 1.61 -0.20 0.00 2.96 -0.03 -0.56 118.68 123.16 2wcw s LEU 85 Ca 0.03 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2wcw s LEU 85 Cb -0.13 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2wcw s LEU 85 CO 0.02 -0.00 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.27 2wcw s LYS 86 N 1.02 3.49 0.17 1.98 2.47 -0.28 -1.88 119.74 126.71 2wcw s LYS 86 Ca -0.07 -0.58 0.04 0.00 -1.56 0.00 0.00 55.97 53.80 2wcw s LYS 86 Cb -0.15 -3.01 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2wcw s LYS 86 CO -0.01 -0.07 0.23 -0.51 0.16 0.00 0.00 175.35 175.16 2wcw s LEU 87 N 1.16 4.10 0.39 5.43 1.43 -1.26 -1.89 118.68 128.05 2wcw s LEU 87 Ca 0.02 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2wcw s LEU 87 Cb -0.15 -2.68 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 2wcw s LEU 87 CO 0.00 0.03 1.40 -2.65 0.23 0.00 0.00 176.35 175.37 2wcw n PRO 88 N -0.64 2.38 -1.71 1.29 -0.02 -1.26 -2.53 135.00 132.50 2wcw n PRO 88 Ca -0.08 0.84 -0.20 0.00 -2.02 0.00 0.00 63.50 62.04 2wcw n PRO 88 Cb 0.55 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 2wcw n PRO 88 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wcw n ARG 89 N 0.29 -1.39 -4.24 -0.52 1.74 -1.26 -4.96 116.66 106.32 2wcw n ARG 89 Ca 0.03 1.14 -0.17 0.00 -0.77 0.00 0.00 57.85 58.09 2wcw n ARG 89 Cb 0.39 -5.52 -0.13 0.00 -1.02 0.00 0.00 32.46 26.18 2wcw n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wcw s ALA 90 N -2.77 0.78 0.73 7.54 0.00 -1.05 -5.14 121.76 121.85 2wcw s ALA 90 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 2wcw s ALA 90 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.05 2wcw s ALA 90 CO 0.00 0.12 1.18 0.00 0.00 0.00 0.00 175.76 177.07 2wcw s ALA 91 N -0.73 2.14 0.24 0.00 0.00 -1.26 -4.46 121.76 117.69 2wcw s ALA 91 Ca -0.01 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 2wcw s ALA 91 Cb -0.06 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 2wcw s ALA 91 CO 0.00 -1.82 1.24 0.91 0.00 0.00 0.00 175.76 176.09 2wcw n TRP 92 N -2.77 1.72 -4.78 0.00 7.02 -1.26 -4.72 117.44 112.65 2wcw n TRP 92 Ca 0.13 0.58 -0.30 0.00 -1.02 0.00 0.00 57.50 56.88 2wcw n TRP 92 Cb 0.51 -2.36 -0.14 0.00 -2.42 0.00 0.00 31.31 26.90 2wcw n TRP 92 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2wcw s ARG 93 N -0.77 1.87 -0.15 -0.99 1.81 -0.79 -4.41 118.95 115.52 2wcw s ARG 93 Ca 0.67 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.61 2wcw s ARG 93 Cb -0.71 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 31.75 2wcw s ARG 93 CO 0.54 0.52 -0.18 -0.06 -0.68 0.00 0.00 175.30 175.43 2wcw s PHE 94 N -0.87 2.44 -0.28 -0.53 0.08 0.63 -0.85 117.98 118.61 2wcw s PHE 94 Ca 0.13 -1.32 0.01 0.00 0.12 0.00 0.00 56.93 55.87 2wcw s PHE 94 Cb -0.10 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 2wcw s PHE 94 CO 0.03 -0.66 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.38 2wcw s PHE 95 N 1.15 3.26 0.48 0.36 0.08 0.72 -1.11 117.98 122.92 2wcw s PHE 95 Ca -0.01 -2.08 -0.22 0.00 0.12 0.00 0.00 56.93 54.74 2wcw s PHE 95 Cb -0.14 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 2wcw s PHE 95 CO -0.07 -0.84 0.91 -2.30 -0.10 0.00 0.00 175.22 172.82 2wcw n PRO 96 N 4.53 1.09 -0.07 0.24 -0.02 -1.26 -0.61 135.00 138.90 2wcw n PRO 96 Ca -0.14 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2wcw n PRO 96 Cb 0.43 -2.00 0.56 0.00 -0.02 0.00 0.00 33.50 32.47 2wcw n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wcw h VAL 97 N 1.08 0.82 0.00 -1.45 2.07 -1.92 -0.04 116.25 116.81 2wcw h VAL 97 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2wcw h VAL 97 Cb 1.36 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2wcw h VAL 97 CO 0.54 0.05 0.00 1.56 0.02 0.00 0.00 177.57 179.74 2wcw h GLN 98 N 0.28 0.00 0.00 1.57 7.50 -1.90 -2.10 115.11 120.46 2wcw h GLN 98 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 2wcw h GLN 98 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 2wcw h GLN 98 CO -0.06 0.00 -0.96 -0.12 -1.50 0.00 0.00 178.83 176.18 2wcw n MET 99 N -2.40 0.20 -2.21 1.46 1.56 -0.03 -4.91 117.12 110.79 2wcw n MET 99 Ca -0.00 -0.01 -0.41 0.00 -0.27 0.00 0.00 57.70 57.01 2wcw n MET 99 Cb 0.12 -1.56 -0.03 0.00 2.15 0.00 0.00 33.22 33.90 2wcw n MET 99 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2wcw s LEU 100 N -3.62 4.46 -0.12 -0.89 1.43 -0.79 -4.99 118.68 114.16 2wcw s LEU 100 Ca 0.05 2.58 -0.24 0.00 -1.03 0.00 0.00 54.13 55.49 2wcw s LEU 100 Cb 0.15 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2wcw s LEU 100 CO 0.80 -0.44 0.77 -0.70 0.23 0.00 0.00 176.35 177.01 2wcw s GLU 101 N -1.65 4.36 0.11 1.70 2.12 -0.66 -4.90 118.70 119.78 2wcw s GLU 101 Ca 0.48 0.95 -0.27 0.00 0.36 0.00 0.00 54.97 56.49 2wcw s GLU 101 Cb -0.38 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.43 2wcw s GLU 101 CO 0.50 -0.14 0.86 1.03 -0.54 0.00 0.00 175.26 176.96 2wcw s ARG 102 N 1.51 4.62 0.00 4.30 0.52 -1.26 -0.49 118.95 128.15 2wcw s ARG 102 Ca 0.38 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 2wcw s ARG 102 Cb -0.17 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 31.95 2wcw s ARG 102 CO 0.16 0.32 0.00 0.25 0.02 0.00 0.00 175.30 176.05 2wcw n THR 103 N 2.50 0.00 0.00 0.02 -2.24 -0.23 -4.95 114.28 109.38 2wcw n THR 103 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2wcw n THR 103 Cb 0.49 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2wcw n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wcw n GLU 104 N -0.19 0.00 0.00 -0.78 -0.58 -1.26 -4.06 120.64 113.77 2wcw n GLU 104 Ca 0.00 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2wcw n GLU 104 Cb 0.00 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2wcw n GLU 104 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wcw n LYS 105 N -0.83 0.41 -2.84 3.49 2.85 -1.26 -5.07 118.16 114.92 2wcw n LYS 105 Ca 0.00 -0.81 -0.10 0.00 -1.05 0.00 0.00 58.31 56.35 2wcw n LYS 105 Cb 0.00 -0.96 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 2wcw n LYS 105 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2wcw n ASN 106 N -0.17 1.92 -4.27 -5.58 5.03 -1.26 -3.61 115.26 107.32 2wcw n ASN 106 Ca 0.00 -1.72 -0.18 0.00 0.87 0.00 0.00 54.58 53.55 2wcw n ASN 106 Cb 0.11 0.20 -0.11 0.00 -1.02 0.00 0.00 39.78 38.96 2wcw n ASN 106 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2wcw s PHE 107 N -1.76 1.50 0.04 3.10 0.08 -0.25 -1.06 117.98 119.62 2wcw s PHE 107 Ca 0.03 -0.56 -0.15 0.00 0.12 0.00 0.00 56.93 56.37 2wcw s PHE 107 Cb 0.00 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.71 2wcw s PHE 107 CO 0.02 0.20 0.34 -1.59 -0.10 0.00 0.00 175.22 174.08 2wcw s LYS 108 N -2.87 0.84 -0.27 0.44 -2.85 0.36 -0.83 119.74 114.56 2wcw s LYS 108 Ca 0.12 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.68 2wcw s LYS 108 Cb -0.04 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2wcw s LYS 108 CO 0.04 -0.27 -0.09 0.42 0.10 0.00 0.00 175.35 175.54 2wcw s ILE 109 N -2.45 2.15 0.00 3.79 1.01 0.28 -1.66 121.20 124.32 2wcw s ILE 109 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.90 2wcw s ILE 109 Cb -0.01 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2wcw s ILE 109 CO -0.03 -0.09 0.00 -0.90 0.00 0.00 0.00 174.94 173.93 2wcw n ASP 110 N 4.42 0.80 0.31 3.58 5.68 -1.26 -1.18 116.55 128.90 2wcw n ASP 110 Ca -0.12 -1.00 0.21 0.00 -0.50 0.00 0.00 54.79 53.37 2wcw n ASP 110 Cb 0.42 -0.00 1.05 0.00 -1.14 0.00 0.00 41.12 41.45 2wcw n ASP 110 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2wcw h GLU 111 N 0.00 0.00 0.00 0.11 4.11 -2.00 -0.25 114.58 116.55 2wcw h GLU 111 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2wcw h GLU 111 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2wcw h GLU 111 CO 0.00 0.00 -0.61 0.66 0.07 0.00 0.00 179.01 179.13 2wcw h SER 112 N 0.00 0.00 0.07 3.06 4.64 -2.02 -3.36 113.55 115.95 2wcw h SER 112 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2wcw h SER 112 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 2wcw h SER 112 CO 0.00 0.51 -2.30 0.52 -0.87 0.00 0.00 176.83 174.69 2wcw n VAL 113 N -3.19 1.48 -0.21 0.95 0.31 -0.78 -4.57 118.33 112.32 2wcw n VAL 113 Ca 0.01 -0.75 0.02 0.00 -0.01 0.00 0.00 64.34 63.61 2wcw n VAL 113 Cb 0.75 -0.93 0.13 0.00 -0.91 0.00 0.00 33.84 32.87 2wcw n VAL 113 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2wcw h TYR 114 N 0.01 0.18 0.00 3.52 3.20 -1.21 -0.11 116.97 122.56 2wcw h TYR 114 Ca -0.52 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2wcw h TYR 114 Cb 2.09 0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.38 2wcw h TYR 114 CO 0.02 -0.07 0.00 -2.30 -1.64 0.00 0.00 178.16 174.17 2wcw n PRO 115 N -5.16 0.15 0.08 1.82 -0.02 -1.26 -1.55 135.00 129.06 2wcw n PRO 115 Ca 0.10 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2wcw n PRO 115 Cb 0.37 -1.88 0.45 0.00 -0.02 0.00 0.00 33.50 32.42 2wcw n PRO 115 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wcw n LEU 116 N -2.18 0.60 -4.76 2.45 4.77 -0.06 -4.92 117.00 112.91 2wcw n LEU 116 Ca 0.01 0.54 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 2wcw n LEU 116 Cb 0.14 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2wcw n LEU 116 CO 0.14 -0.13 0.91 -0.83 -1.33 0.00 0.00 177.39 176.15 2wcw s GLY 117 N -3.42 2.83 0.45 -0.72 0.00 -0.60 -5.00 107.32 100.86 2wcw s GLY 117 Ca 0.11 1.14 -0.21 0.00 0.00 0.00 0.00 44.72 45.77 2wcw s GLY 117 CO 0.58 1.62 0.98 1.08 0.00 0.00 0.00 173.10 177.37 2wcw s LEU 118 N -3.42 3.90 0.55 0.66 1.02 -0.27 -4.73 118.68 116.39 2wcw s LEU 118 Ca 0.69 1.78 -0.00 0.00 0.02 0.00 0.00 54.13 56.63 2wcw s LEU 118 Cb -0.35 -4.55 0.03 0.00 0.02 0.00 0.00 46.19 41.34 2wcw s LEU 118 CO 0.41 -0.52 0.79 -1.61 0.02 0.00 0.00 176.35 175.43 2wcw s GLU 119 N -3.20 2.65 0.30 1.70 2.02 -1.26 -0.27 118.70 120.64 2wcw s GLU 119 Ca 0.64 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 55.03 2wcw s GLU 119 Cb -0.12 -2.45 0.45 0.00 0.10 0.00 0.00 34.13 32.11 2wcw s GLU 119 CO 0.16 -0.67 1.86 0.97 0.02 0.00 0.00 175.26 177.60 2wcw h ILE 120 N 0.05 1.21 -0.58 -1.63 2.10 -1.99 -1.20 117.51 115.47 2wcw h ILE 120 Ca -0.44 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 64.77 2wcw h ILE 120 Cb 1.29 0.62 -0.03 0.00 -1.09 0.00 0.00 36.82 37.61 2wcw h ILE 120 CO 0.55 0.28 0.33 0.00 -1.08 0.00 0.00 178.15 178.23 2wcw h ALA 121 N 1.40 1.49 -0.24 0.18 0.00 -1.91 -1.15 119.26 119.03 2wcw h ALA 121 Ca 0.18 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2wcw h ALA 121 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wcw h ALA 121 CO -0.01 0.43 -0.59 0.93 0.00 0.00 0.00 179.25 180.02 2wcw h GLU 122 N 0.80 0.76 -0.91 0.00 5.08 -1.49 -0.25 114.58 118.57 2wcw h GLU 122 Ca 0.21 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2wcw h GLU 122 Cb -0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2wcw h GLU 122 CO -0.04 1.13 0.59 0.28 -1.00 0.00 0.00 179.01 179.97 2wcw h VAL 123 N 0.58 1.24 0.00 3.13 2.07 -0.99 -2.50 116.25 119.78 2wcw h VAL 123 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2wcw h VAL 123 Cb 1.18 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wcw h VAL 123 CO 0.12 0.24 -0.13 0.00 0.02 0.00 0.00 177.57 177.82 2wcw n ALA 124 N -2.36 2.47 -2.51 1.67 0.00 -0.47 -4.92 120.51 114.39 2wcw n ALA 124 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2wcw n ALA 124 Cb 0.03 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.09 2wcw n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcw n GLY 125 N 1.38 -0.07 3.64 0.00 0.00 -0.23 -5.02 105.19 104.88 2wcw n GLY 125 Ca 0.06 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2wcw n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wcw s LYS 126 N -4.96 2.00 0.64 1.61 1.02 -0.49 -5.03 119.74 114.53 2wcw s LYS 126 Ca 0.10 -2.20 -0.08 0.00 0.02 0.00 0.00 55.97 53.81 2wcw s LYS 126 Cb -0.05 -1.35 0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2wcw s LYS 126 CO 0.13 -0.24 0.98 -0.06 -0.92 0.00 0.00 175.35 175.23 2wcw s PHE 127 N -2.92 3.28 -0.04 3.18 0.40 -1.26 -4.59 117.98 116.02 2wcw s PHE 127 Ca 0.22 0.81 0.01 0.00 -0.60 0.00 0.00 56.93 57.37 2wcw s PHE 127 Cb 0.06 -2.88 0.02 0.00 0.51 0.00 0.00 43.02 40.73 2wcw s PHE 127 CO 0.11 -0.97 -0.06 0.12 0.70 0.00 0.00 175.22 175.12 2wcw s PHE 128 N -3.14 0.83 -1.50 0.36 5.36 -1.26 -4.93 117.98 113.70 2wcw s PHE 128 Ca 0.56 -0.24 0.12 0.00 -0.96 0.00 0.00 56.93 56.40 2wcw s PHE 128 Cb -0.11 -0.70 0.09 0.00 -0.34 0.00 0.00 43.02 41.97 2wcw s PHE 128 CO 0.48 -0.19 0.88 0.94 -1.46 0.00 0.00 175.22 175.86