#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcw h GLY 5 N 0.00 0.12 1.91 0.72 0.00 -2.05 0.11 103.07 103.89 2wcw h GLY 5 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2wcw h GLY 5 CO 0.00 0.03 -0.15 -0.91 0.00 0.00 0.00 176.54 175.51 2wcw h THR 6 N 0.11 1.15 -0.74 4.70 1.35 -2.04 0.66 112.91 118.10 2wcw h THR 6 Ca 0.04 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 65.15 2wcw h THR 6 Cb 0.00 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2wcw h THR 6 CO -0.02 0.21 0.24 -0.09 -0.25 0.00 0.00 175.52 175.61 2wcw h ARG 7 N 0.10 1.14 -0.01 4.72 9.65 -1.67 0.19 114.38 128.50 2wcw h ARG 7 Ca 0.02 -0.23 -0.19 0.00 -1.10 0.00 0.00 59.98 58.47 2wcw h ARG 7 Cb 0.34 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2wcw h ARG 7 CO 0.02 0.96 -0.84 0.74 2.80 0.00 0.00 179.97 183.65 2wcw h PHE 8 N 1.09 0.37 0.03 2.20 0.04 0.18 0.51 116.94 121.37 2wcw h PHE 8 Ca 0.24 -0.19 -0.26 0.00 2.80 0.00 0.00 57.97 60.56 2wcw h PHE 8 Cb 0.28 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.41 2wcw h PHE 8 CO 0.02 0.98 -1.07 1.49 -0.60 0.00 0.00 178.31 179.13 2wcw h GLU 9 N 0.15 0.58 -0.31 1.51 4.81 0.33 0.55 114.58 122.20 2wcw h GLU 9 Ca -0.04 -0.67 -0.06 0.00 -0.13 0.00 0.00 59.36 58.45 2wcw h GLU 9 Cb 1.45 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 2wcw h GLU 9 CO 0.13 1.27 -0.08 0.00 -0.73 0.00 0.00 179.01 179.60 2wcw h ARG 10 N 0.31 0.51 -0.44 1.92 3.08 -0.64 -1.42 114.38 117.70 2wcw h ARG 10 Ca -0.13 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.84 2wcw h ARG 10 Cb 1.72 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.67 2wcw h ARG 10 CO 0.20 0.60 0.18 0.22 -1.07 0.00 0.00 179.97 180.10 2wcw h ASP 11 N 0.48 0.23 -0.47 7.04 3.58 0.55 -0.48 116.42 127.35 2wcw h ASP 11 Ca 0.09 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 2wcw h ASP 11 Cb 0.44 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2wcw h ASP 11 CO 0.02 0.17 -0.06 0.25 -2.88 0.00 0.00 179.24 176.74 2wcw h LEU 12 N 0.37 0.86 -0.70 2.28 5.85 -0.57 -2.05 115.31 121.35 2wcw h LEU 12 Ca 0.20 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2wcw h LEU 12 Cb 0.16 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2wcw h LEU 12 CO -0.18 0.99 0.38 -0.07 -0.34 0.00 0.00 178.44 179.22 2wcw h LEU 13 N 0.71 0.55 -0.53 2.25 3.38 -0.73 -0.43 115.31 120.50 2wcw h LEU 13 Ca 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wcw h LEU 13 Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wcw h LEU 13 CO 0.04 0.34 0.27 0.58 0.09 0.00 0.00 178.44 179.75 2wcw h VAL 14 N 0.69 1.20 -1.00 1.22 2.07 -0.82 -1.29 116.25 118.31 2wcw h VAL 14 Ca 0.32 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2wcw h VAL 14 Cb 0.25 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2wcw h VAL 14 CO -0.21 0.22 0.66 -0.33 0.02 0.00 0.00 177.57 177.93 2wcw h GLU 15 N 0.72 1.30 -0.39 1.57 4.39 -0.78 -0.76 114.58 120.64 2wcw h GLU 15 Ca 0.18 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2wcw h GLU 15 Cb 0.10 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2wcw h GLU 15 CO -0.02 0.86 0.11 -0.07 -1.16 0.00 0.00 179.01 178.73 2wcw h LEU 16 N 1.34 0.58 -0.75 1.33 3.38 -0.52 -1.54 115.31 119.13 2wcw h LEU 16 Ca 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2wcw h LEU 16 Cb -0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2wcw h LEU 16 CO -0.08 0.65 0.30 -0.50 0.09 0.00 0.00 178.44 178.90 2wcw h TRP 17 N 0.49 1.14 0.00 1.13 4.06 -0.95 -1.31 115.95 120.51 2wcw h TRP 17 Ca 0.12 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 2wcw h TRP 17 Cb 0.28 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 2wcw h TRP 17 CO 0.01 0.87 -0.07 0.87 -3.56 0.00 0.00 178.44 176.56 2wcw h LYS 18 N 1.08 0.00 -0.16 0.49 1.57 -0.85 -1.37 116.57 117.33 2wcw h LYS 18 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2wcw h LYS 18 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wcw h LYS 18 CO -0.02 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 2wcw n ALA 19 N -2.45 2.52 -0.12 3.86 0.00 -0.61 -4.91 120.51 118.81 2wcw n ALA 19 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2wcw n ALA 19 Cb 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.02 0.65 3.86 0.00 0.00 -0.52 -5.01 105.19 105.21 2wcw n GLY 20 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.18 3.43 -0.25 1.61 0.08 -0.59 -4.66 117.98 115.42 2wcw s PHE 21 Ca 0.00 0.97 -0.16 0.00 0.12 0.00 0.00 56.93 57.87 2wcw s PHE 21 Cb 0.00 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 2wcw s PHE 21 CO 0.00 0.25 0.40 0.00 -0.10 0.00 0.00 175.22 175.77 2wcw s ALA 22 N -1.82 3.57 0.07 5.36 0.00 0.13 -3.75 121.76 125.33 2wcw s ALA 22 Ca 0.48 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2wcw s ALA 22 Cb -0.11 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2wcw s ALA 22 CO 0.20 -0.57 -0.11 0.00 0.00 0.00 0.00 175.76 175.28 2wcw s ALA 23 N 1.91 0.96 0.02 0.00 0.00 -1.26 -1.29 121.76 122.10 2wcw s ALA 23 Ca 0.17 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2wcw s ALA 23 Cb -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2wcw s ALA 23 CO 0.09 0.03 -0.04 0.96 0.00 0.00 0.00 175.76 176.80 2wcw s ILE 24 N -1.74 0.25 0.17 0.00 -5.25 -0.21 -5.00 121.20 109.42 2wcw s ILE 24 Ca -0.02 -0.85 -0.23 0.00 -0.99 0.00 0.00 60.65 58.56 2wcw s ILE 24 Cb -0.07 -0.35 -0.08 0.00 2.95 0.00 0.00 42.46 44.91 2wcw s ILE 24 CO 0.01 -0.39 0.73 -0.13 -1.79 0.00 0.00 174.94 173.37 2wcw s ARG 25 N -1.31 4.42 -0.05 0.37 0.52 -1.26 -1.60 118.95 120.04 2wcw s ARG 25 Ca -0.12 1.02 -0.23 0.00 -0.52 0.00 0.00 55.73 55.88 2wcw s ARG 25 Cb -0.09 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 2wcw s ARG 25 CO -0.00 0.53 0.69 0.08 0.02 0.00 0.00 175.30 176.61 2wcw s VAL 26 N -1.26 5.01 0.20 3.52 1.01 -0.26 -4.95 120.40 123.67 2wcw s VAL 26 Ca 0.37 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2wcw s VAL 26 Cb -0.21 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 2wcw s VAL 26 CO 0.24 0.28 1.00 0.00 0.00 0.00 0.00 175.10 176.62 2wcw s ALA 27 N 0.63 3.33 -1.46 5.51 0.00 -1.26 -3.72 121.76 124.80 2wcw s ALA 27 Ca 0.37 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 2wcw s ALA 27 Cb -0.18 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.70 2wcw s ALA 27 CO 0.18 0.00 0.91 0.41 0.00 0.00 0.00 175.76 177.26 2wcw n GLY 28 N 1.77 -0.52 0.00 0.00 0.00 -1.26 -4.83 105.19 100.35 2wcw n GLY 28 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2wcw n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcw n ALA 29 N -4.38 1.27 -0.11 4.61 0.00 -1.24 -2.56 120.51 118.10 2wcw n ALA 29 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2wcw n ALA 29 Cb 0.56 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 2wcw n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcw n GLY 30 N -0.97 -0.56 1.61 0.00 0.00 -1.26 -4.59 105.19 99.42 2wcw n GLY 30 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2wcw n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wcw n VAL 31 N -4.40 2.10 -3.52 1.61 0.31 -1.15 -4.91 118.33 108.38 2wcw n VAL 31 Ca -0.29 -0.96 -0.37 0.00 -0.01 0.00 0.00 64.34 62.71 2wcw n VAL 31 Cb 0.64 -0.75 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 2wcw n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2wcw s SER 32 N -0.13 6.77 0.51 4.52 0.15 -1.06 -4.98 113.70 119.48 2wcw s SER 32 Ca 0.28 0.93 0.30 0.00 0.70 0.00 0.00 55.95 58.16 2wcw s SER 32 Cb 0.24 -2.23 1.17 0.00 -1.71 0.00 0.00 66.02 63.49 2wcw s SER 32 CO 0.05 0.28 1.92 -0.65 1.20 0.00 0.00 173.24 176.04 2wcw h PRO 33 N 4.43 0.00 -6.15 5.44 0.11 -1.91 -3.45 132.00 130.47 2wcw h PRO 33 Ca -0.51 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.07 2wcw h PRO 33 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2wcw h PRO 33 CO 0.63 0.06 -0.50 -0.06 -0.21 0.00 0.00 178.00 177.92 2wcw s PHE 34 N -3.64 3.31 0.31 0.65 0.08 -1.26 -5.06 117.98 112.37 2wcw s PHE 34 Ca 0.01 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 2wcw s PHE 34 Cb 0.09 -1.55 -0.11 0.00 -0.57 0.00 0.00 43.02 40.88 2wcw s PHE 34 CO 0.58 0.50 1.57 -2.14 -0.10 0.00 0.00 175.22 175.63 2wcw s PRO 35 N -3.46 4.13 -0.18 0.24 0.02 -1.26 -4.99 135.00 129.51 2wcw s PRO 35 Ca 0.33 2.56 -0.28 0.00 0.02 0.00 0.00 61.00 63.64 2wcw s PRO 35 Cb -0.10 -3.02 0.07 0.00 0.02 0.00 0.00 34.50 31.48 2wcw s PRO 35 CO 0.26 -0.60 0.72 0.00 -0.33 0.00 0.00 177.00 177.06 2wcw n PRO 37 N 1.88 -0.39 0.02 0.00 -0.04 -1.26 -4.80 135.00 130.40 2wcw n PRO 37 Ca -0.16 -1.62 -0.17 0.00 -0.04 0.00 0.00 63.50 61.51 2wcw n PRO 37 Cb 0.56 -0.69 -0.14 0.00 -0.04 0.00 0.00 33.50 33.18 2wcw n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wcw h ASP 38 N -0.80 0.31 -4.19 3.54 3.32 -1.40 -3.43 116.42 113.76 2wcw h ASP 38 Ca -0.26 -0.60 -0.32 0.00 0.02 0.00 0.00 57.03 55.88 2wcw h ASP 38 Cb 0.82 -0.10 -0.26 0.00 0.22 0.00 0.00 39.33 40.00 2wcw h ASP 38 CO 0.22 1.53 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.89 2wcw s ILE 39 N -2.59 0.49 -0.06 0.35 1.01 -0.76 -1.10 121.20 118.54 2wcw s ILE 39 Ca -0.14 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2wcw s ILE 39 Cb 0.07 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2wcw s ILE 39 CO 0.81 -0.04 -0.23 -0.69 0.00 0.00 0.00 174.94 174.79 2wcw s VAL 40 N -0.54 1.91 0.03 2.92 1.01 -0.62 -0.90 120.40 124.21 2wcw s VAL 40 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2wcw s VAL 40 Cb -0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2wcw s VAL 40 CO 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 2wcw s ALA 41 N 0.01 0.32 0.02 5.51 0.00 -0.54 -1.04 121.76 126.04 2wcw s ALA 41 Ca -0.07 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 2wcw s ALA 41 Cb -0.14 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.16 2wcw s ALA 41 CO 0.05 -0.14 0.51 0.20 0.00 0.00 0.00 175.76 176.37 2wcw s GLY 42 N -1.70 -0.39 -0.04 0.00 0.00 -0.41 -0.06 107.32 104.72 2wcw s GLY 42 Ca -0.11 0.66 0.06 0.00 0.00 0.00 0.00 44.72 45.33 2wcw s GLY 42 CO -0.02 0.37 0.94 1.16 0.00 0.00 0.00 173.10 175.55 2wcw n ASN 43 N 0.65 1.13 0.00 1.64 0.23 -0.85 -0.69 115.26 117.38 2wcw n ASN 43 Ca -0.19 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 2wcw n ASN 43 Cb 0.59 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.54 2.66 0.86 4.83 0.00 -1.26 -4.74 105.19 107.00 2wcw n GLY 44 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wcw n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wcw n ARG 45 N -2.00 0.00 -4.42 1.61 1.74 -1.26 -5.05 116.66 107.28 2wcw n ARG 45 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2wcw n ARG 45 Cb 0.00 -0.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.78 2wcw n ARG 45 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wcw s THR 46 N -1.95 3.91 -0.06 0.55 2.01 -1.26 -5.06 115.64 113.78 2wcw s THR 46 Ca 0.00 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.69 2wcw s THR 46 Cb 0.00 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.81 2wcw s THR 46 CO 0.00 0.51 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.92 2wcw s TYR 47 N 0.16 2.11 -0.04 4.92 2.02 -1.26 -2.00 117.35 123.25 2wcw s TYR 47 Ca -0.01 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.05 2wcw s TYR 47 Cb -0.14 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 2wcw s TYR 47 CO 0.03 -0.25 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.03 2wcw s LEU 48 N 0.11 2.02 -0.23 -1.29 1.43 0.92 -0.64 118.68 121.00 2wcw s LEU 48 Ca -0.08 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2wcw s LEU 48 Cb -0.14 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2wcw s LEU 48 CO 0.04 0.23 -0.10 0.00 0.23 0.00 0.00 176.35 176.76 2wcw s ALA 49 N -0.23 2.62 -0.13 4.21 0.00 -0.17 -1.46 121.76 126.59 2wcw s ALA 49 Ca 0.01 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.61 2wcw s ALA 49 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2wcw s ALA 49 CO 0.02 -0.67 -0.19 0.42 0.00 0.00 0.00 175.76 175.34 2wcw s ILE 50 N 1.32 1.80 -0.16 0.00 1.01 -0.08 -1.17 121.20 123.93 2wcw s ILE 50 Ca 0.02 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 2wcw s ILE 50 Cb -0.16 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2wcw s ILE 50 CO -0.06 0.50 0.42 -0.70 0.00 0.00 0.00 174.94 175.10 2wcw s GLU 51 N 0.97 4.27 -0.20 2.79 2.56 -0.32 -0.94 118.70 127.82 2wcw s GLU 51 Ca -0.05 0.30 -0.05 0.00 0.00 0.00 0.00 54.97 55.17 2wcw s GLU 51 Cb -0.15 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.48 2wcw s GLU 51 CO -0.03 0.09 0.01 0.08 -0.56 0.00 0.00 175.26 174.85 2wcw s VAL 52 N 0.87 4.02 -0.01 3.70 1.01 -1.26 -0.75 120.40 127.97 2wcw s VAL 52 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2wcw s VAL 52 Cb -0.15 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 2wcw s VAL 52 CO 0.08 0.43 -0.10 -0.54 0.00 0.00 0.00 175.10 174.97 2wcw s LYS 53 N 0.99 0.79 -0.09 2.72 -0.14 -0.05 -4.99 119.74 118.98 2wcw s LYS 53 Ca 0.02 -0.35 0.03 0.00 -1.36 0.00 0.00 55.97 54.31 2wcw s LYS 53 Cb -0.14 -0.76 0.01 0.00 -1.68 0.00 0.00 37.83 35.25 2wcw s LYS 53 CO 0.02 0.21 -0.18 -1.64 -0.76 0.00 0.00 175.35 172.99 2wcw s MET 54 N -0.22 2.45 0.05 1.68 -1.94 -1.26 -1.15 119.30 118.91 2wcw s MET 54 Ca 0.04 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.40 2wcw s MET 54 Cb -0.04 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 2wcw s MET 54 CO -0.00 0.09 -0.13 1.03 -0.01 0.00 0.00 175.02 175.99 2wcw s ARG 55 N 0.55 0.83 0.41 2.03 1.81 -0.49 -4.96 118.95 119.12 2wcw s ARG 55 Ca -0.16 -0.84 0.21 0.00 -1.72 0.00 0.00 55.73 53.23 2wcw s ARG 55 Cb -0.17 -0.82 0.78 0.00 -0.45 0.00 0.00 34.95 34.30 2wcw s ARG 55 CO 0.05 0.19 1.77 0.87 -0.68 0.00 0.00 175.30 177.50 2wcw h LYS 56 N 4.60 0.00 -2.87 3.54 1.57 -1.98 -3.35 116.57 118.08 2wcw h LYS 56 Ca -0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2wcw h LYS 56 Cb 1.19 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 2wcw h LYS 56 CO 0.42 0.29 0.25 -1.83 -0.57 0.00 0.00 179.45 178.01 2wcw s GLU 57 N -3.60 1.21 0.70 3.15 -1.05 -1.26 -4.50 118.70 113.35 2wcw s GLU 57 Ca 0.01 -0.42 -0.13 0.00 -0.15 0.00 0.00 54.97 54.28 2wcw s GLU 57 Cb 0.10 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.37 2wcw s GLU 57 CO 0.66 -0.52 1.08 -0.51 0.95 0.00 0.00 175.26 176.92 2wcw s LEU 58 N -2.65 3.22 0.51 1.83 1.43 -1.26 -4.64 118.68 117.12 2wcw s LEU 58 Ca 0.01 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2wcw s LEU 58 Cb -0.01 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.69 2wcw s LEU 58 CO -0.12 -1.64 0.77 -2.16 0.23 0.00 0.00 176.35 173.43 2wcw s PRO 59 N -4.60 3.02 -0.18 1.29 0.05 -1.26 -5.05 135.00 128.28 2wcw s PRO 59 Ca 0.62 -0.26 -0.16 0.00 0.05 0.00 0.00 61.00 61.25 2wcw s PRO 59 Cb -0.17 -2.43 -0.04 0.00 0.05 0.00 0.00 34.50 31.91 2wcw s PRO 59 CO 0.49 -0.45 0.41 -1.17 0.05 0.00 0.00 177.00 176.33 2wcw s LEU 60 N -4.74 4.19 -0.09 -3.56 2.96 -0.32 -4.96 118.68 112.16 2wcw s LEU 60 Ca 0.51 0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 2wcw s LEU 60 Cb -0.10 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2wcw s LEU 60 CO 0.41 -0.05 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.03 2wcw s TYR 61 N 1.09 3.00 0.09 5.38 2.02 -1.26 -0.71 117.35 126.96 2wcw s TYR 61 Ca 0.21 0.00 0.07 0.00 -0.37 0.00 0.00 57.07 56.98 2wcw s TYR 61 Cb -0.15 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2wcw s TYR 61 CO 0.08 0.30 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.67 2wcw s LEU 62 N -0.63 2.29 0.62 -1.29 1.02 -0.11 -4.99 118.68 115.58 2wcw s LEU 62 Ca 0.10 -0.66 -0.12 0.00 0.02 0.00 0.00 54.13 53.47 2wcw s LEU 62 Cb -0.12 -0.74 -0.03 0.00 0.02 0.00 0.00 46.19 45.33 2wcw s LEU 62 CO 0.02 0.00 1.03 -0.94 0.02 0.00 0.00 176.35 176.49 2wcw s SER 63 N -1.83 6.00 0.27 2.29 1.04 -1.26 -0.94 113.70 119.26 2wcw s SER 63 Ca 0.03 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.96 2wcw s SER 63 Cb -0.10 -2.49 0.33 0.00 0.10 0.00 0.00 66.02 63.86 2wcw s SER 63 CO 0.03 -1.02 1.92 0.00 0.98 0.00 0.00 173.24 175.15 2wcw h ALA 64 N -0.17 1.30 -0.60 5.32 0.00 -1.89 -2.68 119.26 120.53 2wcw h ALA 64 Ca -0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2wcw h ALA 64 Cb 1.20 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2wcw h ALA 64 CO 0.60 0.61 0.14 0.22 0.00 0.00 0.00 179.25 180.82 2wcw h ASP 65 N 1.21 0.91 -0.52 0.00 3.58 -1.92 -0.09 116.42 119.59 2wcw h ASP 65 Ca 0.32 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2wcw h ASP 65 Cb -0.08 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.71 2wcw h ASP 65 CO -0.06 0.91 0.13 -0.08 -2.88 0.00 0.00 179.24 177.25 2wcw h GLU 66 N 0.87 0.83 -0.35 0.28 4.81 -1.89 -0.75 114.58 118.39 2wcw h GLU 66 Ca 0.19 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2wcw h GLU 66 Cb 0.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2wcw h GLU 66 CO 0.00 0.80 -0.27 0.28 -0.73 0.00 0.00 179.01 179.09 2wcw h VAL 67 N 0.73 1.29 -0.81 0.32 2.07 -1.25 -2.13 116.25 116.46 2wcw h VAL 67 Ca 0.16 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2wcw h VAL 67 Cb 0.34 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2wcw h VAL 67 CO 0.00 0.47 0.42 -0.33 0.02 0.00 0.00 177.57 178.15 2wcw h GLU 68 N 0.58 1.15 -0.54 1.57 5.08 -0.80 -0.96 114.58 120.65 2wcw h GLU 68 Ca 0.07 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2wcw h GLU 68 Cb 0.83 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2wcw h GLU 68 CO 0.07 0.86 0.08 0.37 -1.00 0.00 0.00 179.01 179.39 2wcw h GLN 69 N 1.14 0.91 -0.26 2.33 4.15 -1.09 -0.77 115.11 121.51 2wcw h GLN 69 Ca 0.28 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2wcw h GLN 69 Cb 0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2wcw h GLN 69 CO -0.04 0.88 0.12 1.25 -1.93 0.00 0.00 178.83 179.12 2wcw h LEU 70 N 0.79 0.18 -0.61 -2.39 5.85 -0.91 -1.34 115.31 116.89 2wcw h LEU 70 Ca 0.16 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2wcw h LEU 70 Cb 0.43 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2wcw h LEU 70 CO 0.01 0.14 0.18 0.58 -0.34 0.00 0.00 178.44 179.01 2wcw h VAL 71 N 0.26 1.25 -0.46 1.05 2.07 -0.97 -0.71 116.25 118.73 2wcw h VAL 71 Ca 0.11 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2wcw h VAL 71 Cb 0.04 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2wcw h VAL 71 CO -0.08 0.32 0.27 0.74 0.02 0.00 0.00 177.57 178.85 2wcw h THR 72 N 0.87 1.15 -0.24 2.57 2.02 -1.01 -0.50 112.91 117.77 2wcw h THR 72 Ca 0.19 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2wcw h THR 72 Cb 0.31 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2wcw h THR 72 CO -0.00 0.15 0.15 0.15 0.37 0.00 0.00 175.52 176.34 2wcw h PHE 73 N 0.62 0.32 -0.80 3.16 3.57 -1.00 -1.64 116.94 121.17 2wcw h PHE 73 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2wcw h PHE 73 Cb 0.01 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2wcw h PHE 73 CO -0.03 0.24 0.35 0.00 -2.23 0.00 0.00 178.31 176.64 2wcw h ALA 74 N 1.05 1.11 -0.48 2.41 0.00 -0.84 0.77 119.26 123.28 2wcw h ALA 74 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2wcw h ALA 74 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2wcw h ALA 74 CO -0.02 0.65 -0.01 -0.09 0.00 0.00 0.00 179.25 179.79 2wcw h ARG 75 N 1.15 0.85 -0.39 0.00 2.43 -0.96 -0.89 114.38 116.56 2wcw h ARG 75 Ca 0.27 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2wcw h ARG 75 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2wcw h ARG 75 CO -0.03 0.90 -0.28 0.78 -1.51 0.00 0.00 179.97 179.83 2wcw h GLY 76 N 0.70 0.90 1.51 2.80 0.00 -0.74 -3.30 103.07 104.94 2wcw h GLY 76 Ca 0.13 -0.82 -0.25 0.00 0.00 0.00 0.00 47.33 46.40 2wcw h GLY 76 CO 0.03 0.74 -1.05 -2.75 0.00 0.00 0.00 176.54 173.52 2wcw h PHE 77 N 0.71 0.66 -1.06 5.60 3.57 -0.79 -3.48 116.94 122.14 2wcw h PHE 77 Ca 0.08 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2wcw h PHE 77 Cb 0.82 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2wcw h PHE 77 CO 0.05 1.23 0.00 0.41 -2.23 0.00 0.00 178.31 177.77 2wcw n GLY 78 N 1.12 0.74 3.21 2.40 0.00 -0.46 -5.09 105.19 107.11 2wcw n GLY 78 Ca -0.08 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.17 0.81 -0.12 4.61 0.00 -0.48 -4.70 121.76 119.70 2wcw s ALA 79 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 2wcw s ALA 79 Cb 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.13 2wcw s ALA 79 CO 0.00 -0.56 0.30 -1.21 0.00 0.00 0.00 175.76 174.29 2wcw s GLU 80 N -4.08 4.06 -0.15 0.00 2.02 0.19 -4.44 118.70 116.30 2wcw s GLU 80 Ca 0.28 0.14 -0.23 0.00 0.02 0.00 0.00 54.97 55.19 2wcw s GLU 80 Cb 0.06 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 2wcw s GLU 80 CO 0.05 0.42 0.72 0.00 0.02 0.00 0.00 175.26 176.47 2wcw s ALA 81 N -0.09 3.48 0.03 5.21 0.00 -1.26 -1.00 121.76 128.12 2wcw s ALA 81 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2wcw s ALA 81 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2wcw s ALA 81 CO 0.06 -0.46 -0.06 0.71 0.00 0.00 0.00 175.76 176.01 2wcw s TYR 82 N 1.67 0.56 -0.20 0.00 2.02 -0.32 -2.25 117.35 118.83 2wcw s TYR 82 Ca 0.34 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 2wcw s TYR 82 Cb -0.17 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2wcw s TYR 82 CO 0.13 -0.08 0.05 0.08 -1.57 0.00 0.00 175.55 174.17 2wcw s VAL 83 N -1.06 4.53 -0.22 0.71 1.01 0.06 -1.17 120.40 124.25 2wcw s VAL 83 Ca -0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2wcw s VAL 83 Cb -0.08 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2wcw s VAL 83 CO 0.00 0.42 0.10 0.00 0.00 0.00 0.00 175.10 175.62 2wcw s ALA 84 N 0.78 3.39 -0.09 5.51 0.00 0.07 -0.39 121.76 131.02 2wcw s ALA 84 Ca 0.03 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2wcw s ALA 84 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2wcw s ALA 84 CO 0.02 -0.14 -0.20 -1.17 0.00 0.00 0.00 175.76 174.27 2wcw s LEU 85 N 0.98 1.95 -0.12 0.00 2.96 0.05 -0.87 118.68 123.63 2wcw s LEU 85 Ca 0.05 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2wcw s LEU 85 Cb -0.14 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 2wcw s LEU 85 CO 0.03 0.11 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.28 2wcw s LYS 86 N 0.49 3.24 0.29 1.98 2.20 -0.30 -1.83 119.74 125.80 2wcw s LYS 86 Ca -0.16 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 2wcw s LYS 86 Cb -0.17 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2wcw s LYS 86 CO 0.06 0.26 0.18 -0.51 -0.36 0.00 0.00 175.35 174.99 2wcw s LEU 87 N 0.21 3.58 0.24 5.43 1.43 -1.26 -1.40 118.68 126.91 2wcw s LEU 87 Ca -0.09 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2wcw s LEU 87 Cb -0.15 -2.13 0.37 0.00 0.03 0.00 0.00 46.19 44.31 2wcw s LEU 87 CO 0.05 -0.14 1.82 -0.65 0.23 0.00 0.00 176.35 177.66 2wcw h PRO 88 N 1.51 0.81 -0.00 1.29 0.11 -1.79 -2.26 132.00 131.67 2wcw h PRO 88 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wcw h PRO 88 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wcw h PRO 88 CO 0.60 0.53 -0.77 -2.13 -0.21 0.00 0.00 178.00 176.03 2wcw n ARG 89 N -4.71 0.11 -3.76 1.05 0.63 -1.26 -4.98 116.66 103.74 2wcw n ARG 89 Ca 0.13 -0.08 -0.26 0.00 -0.92 0.00 0.00 57.85 56.72 2wcw n ARG 89 Cb 0.25 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.63 2wcw n ARG 89 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wcw s ALA 90 N -2.95 3.86 0.80 5.13 0.00 -0.85 -5.09 121.76 122.66 2wcw s ALA 90 Ca 0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2wcw s ALA 90 Cb 0.17 -1.92 0.07 0.00 0.00 0.00 0.00 23.12 21.44 2wcw s ALA 90 CO 0.78 0.37 1.09 0.00 0.00 0.00 0.00 175.76 177.99 2wcw s ALA 91 N -1.92 2.14 0.29 0.00 0.00 -1.26 -4.50 121.76 116.51 2wcw s ALA 91 Ca 0.37 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 2wcw s ALA 91 Cb -0.10 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 2wcw s ALA 91 CO 0.30 -1.82 1.34 0.91 0.00 0.00 0.00 175.76 176.49 2wcw n TRP 92 N -3.53 2.18 -4.81 0.00 7.02 -1.26 -4.69 117.44 112.34 2wcw n TRP 92 Ca 0.08 0.49 -0.25 0.00 -1.02 0.00 0.00 57.50 56.80 2wcw n TRP 92 Cb 0.54 -2.43 -0.16 0.00 -2.42 0.00 0.00 31.31 26.84 2wcw n TRP 92 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2wcw s ARG 93 N -1.09 1.49 -0.12 -0.99 3.52 -0.76 -4.67 118.95 116.33 2wcw s ARG 93 Ca 0.62 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 2wcw s ARG 93 Cb -0.61 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2wcw s ARG 93 CO 0.55 0.33 -0.11 -0.06 -0.81 0.00 0.00 175.30 175.20 2wcw s PHE 94 N -0.26 2.84 -0.21 5.12 0.08 0.36 -0.77 117.98 125.13 2wcw s PHE 94 Ca 0.03 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2wcw s PHE 94 Cb -0.08 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2wcw s PHE 94 CO 0.00 -0.11 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.88 2wcw s PHE 95 N 0.16 2.35 0.67 0.36 0.08 0.47 -0.58 117.98 121.49 2wcw s PHE 95 Ca -0.06 -1.64 -0.17 0.00 0.12 0.00 0.00 56.93 55.18 2wcw s PHE 95 Cb -0.15 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 2wcw s PHE 95 CO 0.04 -0.75 1.27 -2.14 -0.10 0.00 0.00 175.22 173.54 2wcw s PRO 96 N 1.41 2.42 0.53 0.24 0.02 -1.26 -0.76 135.00 137.60 2wcw s PRO 96 Ca -0.04 1.97 0.19 0.00 0.02 0.00 0.00 61.00 63.14 2wcw s PRO 96 Cb -0.18 -1.84 1.36 0.00 0.02 0.00 0.00 34.50 33.87 2wcw s PRO 96 CO -0.07 -1.67 2.16 -0.39 -0.33 0.00 0.00 177.00 176.70 2wcw h VAL 97 N 0.29 0.91 0.00 3.83 -1.51 -1.82 -0.12 116.25 117.83 2wcw h VAL 97 Ca -0.50 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2wcw h VAL 97 Cb 1.32 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2wcw h VAL 97 CO 0.52 0.00 -0.02 -0.61 -1.23 0.00 0.00 177.57 176.23 2wcw h GLN 98 N 0.00 0.00 0.00 5.19 4.15 -1.89 -2.00 115.11 120.56 2wcw h GLN 98 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wcw h GLN 98 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2wcw h GLN 98 CO -0.00 0.02 0.00 1.98 -1.93 0.00 0.00 178.83 178.90 2wcw h MET 99 N 0.00 0.00 -7.01 1.69 4.05 -1.35 -3.45 114.93 108.86 2wcw h MET 99 Ca -0.00 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.90 2wcw h MET 99 Cb 0.32 0.00 0.08 0.00 -0.80 0.00 0.00 31.60 31.21 2wcw h MET 99 CO 0.00 0.00 0.52 -0.51 0.23 0.00 0.00 176.91 177.15 2wcw s LEU 100 N -5.86 3.99 -0.02 3.39 1.43 -0.75 -5.01 118.68 115.85 2wcw s LEU 100 Ca 0.07 2.44 -0.10 0.00 -1.03 0.00 0.00 54.13 55.51 2wcw s LEU 100 Cb 0.07 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 2wcw s LEU 100 CO 0.64 -1.06 0.30 -1.61 0.23 0.00 0.00 176.35 174.84 2wcw s GLU 101 N -2.71 3.69 -0.07 1.70 2.02 -0.59 -4.89 118.70 117.85 2wcw s GLU 101 Ca 0.65 0.12 -0.17 0.00 0.02 0.00 0.00 54.97 55.60 2wcw s GLU 101 Cb -0.32 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 2wcw s GLU 101 CO 0.39 0.69 0.45 0.50 0.02 0.00 0.00 175.26 177.30 2wcw s ARG 102 N -1.32 4.18 0.15 1.61 6.06 -1.26 -0.12 118.95 128.26 2wcw s ARG 102 Ca 0.23 0.43 0.02 0.00 -2.50 0.00 0.00 55.73 53.92 2wcw s ARG 102 Cb -0.14 -3.35 0.02 0.00 0.06 0.00 0.00 34.95 31.54 2wcw s ARG 102 CO 0.12 0.38 0.18 0.25 -2.50 0.00 0.00 175.30 173.73 2wcw n THR 103 N 2.90 0.00 0.24 4.11 -2.24 -0.20 -4.93 114.28 114.15 2wcw n THR 103 Ca -0.10 -0.53 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 2wcw n THR 103 Cb 0.52 -0.73 0.59 0.00 -2.10 0.00 0.00 70.33 68.61 2wcw n THR 103 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wcw h GLU 104 N 0.00 0.00 0.00 -0.78 4.57 -2.03 -3.35 114.58 113.00 2wcw h GLU 104 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2wcw h GLU 104 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2wcw h GLU 104 CO 0.11 0.13 -0.67 1.17 -1.18 0.00 0.00 179.01 178.58 2wcw n LYS 105 N -4.22 2.56 -3.63 1.92 4.81 -1.26 -5.11 118.16 113.23 2wcw n LYS 105 Ca -0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.23 2wcw n LYS 105 Cb 0.21 -0.83 -0.04 0.00 0.02 0.00 0.00 35.03 34.38 2wcw n LYS 105 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wcw n ASN 106 N -1.42 2.26 -4.42 3.14 3.02 -1.26 -3.73 115.26 112.84 2wcw n ASN 106 Ca 0.00 -2.40 -0.27 0.00 -0.03 0.00 0.00 54.58 51.88 2wcw n ASN 106 Cb 0.28 0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 39.71 2wcw n ASN 106 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wcw s PHE 107 N -2.29 2.29 -0.03 3.10 0.08 -0.12 -1.03 117.98 119.98 2wcw s PHE 107 Ca 0.05 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.64 2wcw s PHE 107 Cb 0.00 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.33 2wcw s PHE 107 CO 0.03 0.50 0.22 0.21 -0.10 0.00 0.00 175.22 176.08 2wcw s LYS 108 N -2.67 0.47 -0.27 0.44 2.20 0.84 -0.94 119.74 119.81 2wcw s LYS 108 Ca 0.21 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2wcw s LYS 108 Cb -0.08 0.21 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 2wcw s LYS 108 CO 0.10 -0.11 -0.06 0.42 -0.36 0.00 0.00 175.35 175.34 2wcw s ILE 109 N -0.85 2.55 0.00 5.43 1.01 0.11 -1.53 121.20 127.92 2wcw s ILE 109 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.08 2wcw s ILE 109 Cb -0.05 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2wcw s ILE 109 CO 0.02 -0.03 0.00 -0.90 0.00 0.00 0.00 174.94 174.03 2wcw n ASP 110 N 4.53 1.16 0.30 3.58 5.68 -1.26 -1.17 116.55 129.37 2wcw n ASP 110 Ca -0.14 -0.82 0.19 0.00 -0.50 0.00 0.00 54.79 53.52 2wcw n ASP 110 Cb 0.43 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.28 2wcw n ASP 110 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wcw h GLU 111 N 0.00 0.00 0.00 0.11 3.07 -2.00 0.64 114.58 116.40 2wcw h GLU 111 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2wcw h GLU 111 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2wcw h GLU 111 CO 0.00 0.01 -0.21 0.66 -1.40 0.00 0.00 179.01 178.07 2wcw h SER 112 N 0.00 0.00 0.00 1.42 4.64 -2.02 -3.36 113.55 114.23 2wcw h SER 112 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2wcw h SER 112 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2wcw h SER 112 CO 0.00 0.16 -2.05 0.52 -0.87 0.00 0.00 176.83 174.60 2wcw n VAL 113 N -3.12 1.05 -0.34 0.95 0.31 -0.53 -4.59 118.33 112.05 2wcw n VAL 113 Ca 0.03 -0.56 0.13 0.00 -0.01 0.00 0.00 64.34 63.93 2wcw n VAL 113 Cb 0.60 -0.80 0.32 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.00 1.02 0.00 3.52 3.20 -1.07 0.56 116.97 124.19 2wcw h TYR 114 Ca -0.41 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2wcw h TYR 114 Cb 1.83 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.80 2wcw h TYR 114 CO 0.01 0.19 0.00 -1.35 -1.64 0.00 0.00 178.16 175.36 2wcw h PRO 115 N 0.70 0.00 -0.00 1.82 0.11 -1.81 -1.78 132.00 131.04 2wcw h PRO 115 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2wcw h PRO 115 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wcw h PRO 115 CO -0.41 0.00 -0.12 1.28 -0.21 0.00 0.00 178.00 178.55 2wcw n LEU 116 N -2.65 0.20 -4.70 2.35 4.77 0.19 -4.92 117.00 112.23 2wcw n LEU 116 Ca 0.00 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 55.93 2wcw n LEU 116 Cb 0.19 -0.35 0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2wcw n LEU 116 CO 0.20 0.04 0.70 -0.83 -1.33 0.00 0.00 177.39 176.17 2wcw s GLY 117 N -2.81 1.75 0.02 -0.72 0.00 -0.67 -5.01 107.32 99.88 2wcw s GLY 117 Ca 0.19 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.45 2wcw s GLY 117 CO 0.54 0.93 0.08 1.08 0.00 0.00 0.00 173.10 175.74 2wcw s LEU 118 N -6.27 3.88 0.65 0.66 1.43 0.25 -4.81 118.68 114.47 2wcw s LEU 118 Ca 0.66 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2wcw s LEU 118 Cb -0.22 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2wcw s LEU 118 CO 0.56 0.24 1.04 -1.61 0.23 0.00 0.00 176.35 176.82 2wcw s GLU 119 N -1.93 3.35 0.36 1.70 2.02 -1.26 -0.48 118.70 122.45 2wcw s GLU 119 Ca 0.25 0.81 0.04 0.00 0.02 0.00 0.00 54.97 56.09 2wcw s GLU 119 Cb -0.12 -2.05 0.69 0.00 0.10 0.00 0.00 34.13 32.76 2wcw s GLU 119 CO 0.16 -0.77 2.01 0.97 0.02 0.00 0.00 175.26 177.66 2wcw h ILE 120 N -0.47 1.13 -0.27 -1.63 2.10 -1.99 -0.97 117.51 115.41 2wcw h ILE 120 Ca -0.44 -0.27 -0.08 0.00 1.08 0.00 0.00 64.86 65.15 2wcw h ILE 120 Cb 1.20 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 37.19 2wcw h ILE 120 CO 0.60 0.14 -0.16 0.00 -1.08 0.00 0.00 178.15 177.66 2wcw h ALA 121 N 1.63 1.23 -0.32 0.18 0.00 -1.95 -1.51 119.26 118.52 2wcw h ALA 121 Ca 0.23 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2wcw h ALA 121 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wcw h ALA 121 CO -0.05 0.50 -0.21 0.93 0.00 0.00 0.00 179.25 180.42 2wcw h GLU 122 N 0.43 0.61 -0.43 0.00 5.08 -1.59 -0.79 114.58 117.89 2wcw h GLU 122 Ca 0.08 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2wcw h GLU 122 Cb 0.53 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2wcw h GLU 122 CO 0.03 0.78 0.21 0.28 -1.00 0.00 0.00 179.01 179.31 2wcw h VAL 123 N 0.54 1.18 0.00 3.13 2.07 -0.46 -2.72 116.25 119.99 2wcw h VAL 123 Ca 0.08 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2wcw h VAL 123 Cb 0.66 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2wcw h VAL 123 CO 0.05 0.20 -0.43 0.00 0.02 0.00 0.00 177.57 177.40 2wcw h ALA 124 N 1.05 1.25 0.00 1.67 0.00 -1.18 -3.13 119.26 118.91 2wcw h ALA 124 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wcw h ALA 124 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wcw h ALA 124 CO -0.02 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.55 2wcw h GLY 125 N 1.37 0.00 2.00 0.00 0.00 -0.85 -3.29 103.07 102.30 2wcw h GLY 125 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2wcw h GLY 125 CO 0.06 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 177.07 2wcw h LYS 126 N 0.00 0.00 -0.49 4.80 1.57 -1.44 -1.22 116.57 119.80 2wcw h LYS 126 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2wcw h LYS 126 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2wcw h LYS 126 CO 0.00 0.02 0.27 0.35 -0.57 0.00 0.00 179.45 179.52 2wcw h PHE 127 N 0.00 0.65 -0.13 -1.35 3.57 -1.80 -0.44 116.94 117.43 2wcw h PHE 127 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wcw h PHE 127 Cb 0.04 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2wcw h PHE 127 CO 0.00 0.45 0.00 1.19 -2.23 0.00 0.00 178.31 177.72 2wcw n PHE 128 N -4.42 0.15 -0.86 0.41 3.72 -0.49 -5.16 117.46 110.81 2wcw n PHE 128 Ca 0.04 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2wcw n PHE 128 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2wcw n PHE 128 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75