#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcz h ARG 7 N 0.00 0.72 -0.12 1.09 2.47 -2.06 -2.71 114.38 113.76 2wcz h ARG 7 Ca 0.00 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.51 2wcz h ARG 7 Cb 0.00 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2wcz h ARG 7 CO 0.00 0.47 -0.62 0.74 0.56 0.00 0.00 179.97 181.12 2wcz h PHE 8 N 0.74 0.57 -0.74 3.04 -1.00 -2.02 -2.39 116.94 115.13 2wcz h PHE 8 Ca 0.38 -0.22 0.03 0.00 2.81 0.00 0.00 57.97 60.97 2wcz h PHE 8 Cb 0.35 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 2wcz h PHE 8 CO -0.07 0.94 0.49 0.93 -1.61 0.00 0.00 178.31 178.99 2wcz h GLU 9 N 0.33 0.89 -0.44 1.51 5.08 -1.92 -1.90 114.58 118.11 2wcz h GLU 9 Ca -0.01 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2wcz h GLU 9 Cb 1.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2wcz h GLU 9 CO 0.11 0.59 -0.24 0.00 -1.00 0.00 0.00 179.01 178.47 2wcz h ARG 10 N 0.91 0.91 -0.65 2.33 3.08 -1.13 -2.18 114.38 117.66 2wcz h ARG 10 Ca 0.30 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2wcz h ARG 10 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2wcz h ARG 10 CO -0.08 1.05 0.26 0.22 -1.07 0.00 0.00 179.97 180.34 2wcz h ASP 11 N 0.78 0.86 -0.05 7.04 3.58 -1.04 -2.48 116.42 125.13 2wcz h ASP 11 Ca 0.10 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 2wcz h ASP 11 Cb 0.80 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2wcz h ASP 11 CO 0.07 0.77 -0.31 0.25 -2.88 0.00 0.00 179.24 177.14 2wcz h LEU 12 N 0.93 0.53 -0.65 2.28 5.85 -1.11 -2.69 115.31 120.45 2wcz h LEU 12 Ca 0.22 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2wcz h LEU 12 Cb 0.18 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2wcz h LEU 12 CO -0.02 0.81 0.40 -0.07 -0.34 0.00 0.00 178.44 179.22 2wcz h LEU 13 N 0.44 0.64 -0.64 2.25 3.38 -0.95 0.09 115.31 120.53 2wcz h LEU 13 Ca 0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wcz h LEU 13 Cb 0.76 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2wcz h LEU 13 CO 0.06 0.44 0.41 0.58 0.09 0.00 0.00 178.44 180.02 2wcz h VAL 14 N 0.77 1.13 -0.38 1.22 2.07 -1.21 -1.00 116.25 118.85 2wcz h VAL 14 Ca 0.27 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2wcz h VAL 14 Cb 0.05 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2wcz h VAL 14 CO -0.12 0.15 -0.11 -0.33 0.02 0.00 0.00 177.57 177.18 2wcz h GLU 15 N 0.83 0.67 -0.17 1.57 4.39 -1.05 -1.49 114.58 119.34 2wcz h GLU 15 Ca 0.24 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2wcz h GLU 15 Cb -0.05 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2wcz h GLU 15 CO -0.07 0.77 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.41 2wcz h LEU 16 N 0.61 0.35 -1.16 1.33 3.38 -0.63 -2.15 115.31 117.04 2wcz h LEU 16 Ca 0.11 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2wcz h LEU 16 Cb 0.55 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2wcz h LEU 16 CO 0.03 0.67 0.34 -0.50 0.09 0.00 0.00 178.44 179.07 2wcz h TRP 17 N 0.02 0.92 0.00 1.13 4.06 -1.06 -0.66 115.95 120.35 2wcz h TRP 17 Ca 0.04 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.91 2wcz h TRP 17 Cb 0.53 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 2wcz h TRP 17 CO 0.06 0.65 -0.28 0.87 -3.56 0.00 0.00 178.44 176.19 2wcz h LYS 18 N 0.93 0.00 -0.34 0.49 1.57 -1.16 -2.45 116.57 115.61 2wcz h LYS 18 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wcz h LYS 18 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2wcz h LYS 18 CO -0.03 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 2wcz n ALA 19 N -2.48 2.45 -0.26 3.86 0.00 -0.58 -4.89 120.51 118.61 2wcz n ALA 19 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2wcz n ALA 19 Cb 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2wcz n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcz n GLY 20 N 1.09 0.80 3.82 0.00 0.00 -0.92 -4.99 105.19 104.99 2wcz n GLY 20 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2wcz n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wcz s PHE 21 N -2.16 3.60 -0.09 1.61 0.08 -0.36 -4.59 117.98 116.07 2wcz s PHE 21 Ca 0.00 0.68 -0.27 0.00 0.12 0.00 0.00 56.93 57.47 2wcz s PHE 21 Cb 0.00 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2wcz s PHE 21 CO 0.00 0.58 0.87 0.00 -0.10 0.00 0.00 175.22 176.57 2wcz s ALA 22 N -0.65 3.36 0.02 5.36 0.00 -0.11 -3.19 121.76 126.55 2wcz s ALA 22 Ca 0.18 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2wcz s ALA 22 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2wcz s ALA 22 CO 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 175.76 175.40 2wcz s ALA 23 N 1.48 0.19 0.05 0.00 0.00 -1.26 -1.17 121.76 121.05 2wcz s ALA 23 Ca 0.44 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.93 2wcz s ALA 23 Cb -0.18 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2wcz s ALA 23 CO 0.19 -0.10 -0.11 0.96 0.00 0.00 0.00 175.76 176.70 2wcz s ILE 24 N -1.13 0.84 0.26 0.00 -5.25 -0.27 -5.01 121.20 110.64 2wcz s ILE 24 Ca -0.11 -1.11 -0.21 0.00 -0.99 0.00 0.00 60.65 58.23 2wcz s ILE 24 Cb -0.08 -0.84 -0.09 0.00 2.95 0.00 0.00 42.46 44.41 2wcz s ILE 24 CO -0.01 -0.24 0.78 -0.13 -1.79 0.00 0.00 174.94 173.56 2wcz s ARG 25 N -1.50 4.30 -0.19 0.37 0.52 -1.26 -1.67 118.95 119.51 2wcz s ARG 25 Ca -0.05 0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 55.92 2wcz s ARG 25 Cb -0.09 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2wcz s ARG 25 CO 0.01 0.34 0.63 0.08 0.02 0.00 0.00 175.30 176.38 2wcz s VAL 26 N -1.60 5.03 0.03 3.52 1.01 0.11 -4.94 120.40 123.56 2wcz s VAL 26 Ca 0.46 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2wcz s VAL 26 Cb -0.16 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2wcz s VAL 26 CO 0.21 0.12 1.14 0.00 0.00 0.00 0.00 175.10 176.57 2wcz s ALA 27 N 1.84 3.33 -1.25 5.51 0.00 -1.26 -3.75 121.76 126.18 2wcz s ALA 27 Ca 0.29 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 2wcz s ALA 27 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wcz s ALA 27 CO 0.11 -0.40 1.05 0.41 0.00 0.00 0.00 175.76 176.92 2wcz n GLY 28 N 3.14 -0.42 0.00 0.00 0.00 -1.26 -4.95 105.19 101.71 2wcz n GLY 28 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wcz n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wcz n SER 29 N -3.09 0.00 0.12 1.61 7.64 -1.25 -1.99 113.62 116.67 2wcz n SER 29 Ca -0.20 0.86 0.11 0.00 1.01 0.00 0.00 58.87 60.65 2wcz n SER 29 Cb 0.64 -0.36 0.48 0.00 -1.01 0.00 0.00 64.21 63.96 2wcz n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wcz n GLY 30 N -0.92 -1.13 1.60 0.23 0.00 -1.26 -3.05 105.19 100.66 2wcz n GLY 30 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2wcz n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wcz n VAL 31 N -2.16 2.15 -4.21 1.61 0.24 -0.84 -4.94 118.33 110.19 2wcz n VAL 31 Ca 0.01 -1.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.09 2wcz n VAL 31 Cb 0.17 -0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 32.06 2wcz n VAL 31 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wcz s SER 32 N -0.59 1.33 0.43 -1.34 0.01 -1.11 -4.99 113.70 107.44 2wcz s SER 32 Ca 0.41 -1.04 0.24 0.00 1.31 0.00 0.00 55.95 56.86 2wcz s SER 32 Cb 0.32 0.07 0.64 0.00 0.21 0.00 0.00 66.02 67.26 2wcz s SER 32 CO 0.11 -0.45 1.71 -0.65 0.41 0.00 0.00 173.24 174.37 2wcz h PRO 33 N 2.86 0.00 -6.13 12.44 0.11 -1.91 -3.46 132.00 135.91 2wcz h PRO 33 Ca -0.36 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.19 2wcz h PRO 33 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2wcz h PRO 33 CO 0.64 0.18 -0.37 -0.06 -0.21 0.00 0.00 178.00 178.17 2wcz s PHE 34 N -3.37 3.49 0.26 0.65 0.08 -1.26 -5.05 117.98 112.78 2wcz s PHE 34 Ca 0.03 0.36 -0.30 0.00 0.12 0.00 0.00 56.93 57.14 2wcz s PHE 34 Cb 0.08 -1.86 -0.14 0.00 -0.57 0.00 0.00 43.02 40.53 2wcz s PHE 34 CO 0.65 0.45 1.28 -2.30 -0.10 0.00 0.00 175.22 175.20 2wcz n PRO 35 N -0.25 1.81 -3.76 0.24 -0.02 -1.26 -4.98 135.00 126.79 2wcz n PRO 35 Ca -0.04 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2wcz n PRO 35 Cb 0.53 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 2wcz n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wcz n PRO 37 N 4.08 0.46 -0.00 0.00 -0.04 -1.26 -4.77 135.00 133.46 2wcz n PRO 37 Ca -0.25 -0.68 -0.18 0.00 -0.04 0.00 0.00 63.50 62.35 2wcz n PRO 37 Cb 0.52 -0.16 -0.14 0.00 -0.04 0.00 0.00 33.50 33.69 2wcz n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wcz n ASP 38 N -2.97 1.79 -4.00 3.54 8.00 -0.11 -4.63 116.55 118.16 2wcz n ASP 38 Ca 0.04 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 2wcz n ASP 38 Cb 0.15 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.46 2wcz n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wcz s ILE 39 N -2.57 0.53 -0.04 0.53 1.01 -0.85 -0.72 121.20 119.10 2wcz s ILE 39 Ca -0.18 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.08 2wcz s ILE 39 Cb 0.07 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 2wcz s ILE 39 CO 0.78 0.03 -0.24 -0.69 0.00 0.00 0.00 174.94 174.82 2wcz s VAL 40 N -0.43 1.93 0.04 2.92 1.01 -0.67 -1.23 120.40 123.97 2wcz s VAL 40 Ca -0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2wcz s VAL 40 Cb -0.04 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2wcz s VAL 40 CO -0.00 0.54 0.02 0.00 0.00 0.00 0.00 175.10 175.66 2wcz s ALA 41 N -0.37 0.21 -0.04 5.51 0.00 -0.62 -1.12 121.76 125.34 2wcz s ALA 41 Ca 0.03 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 2wcz s ALA 41 Cb -0.11 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.32 2wcz s ALA 41 CO 0.01 -0.32 0.58 0.20 0.00 0.00 0.00 175.76 176.23 2wcz s GLY 42 N -2.37 -0.47 -0.06 0.00 0.00 -0.32 -0.30 107.32 103.81 2wcz s GLY 42 Ca -0.02 1.04 0.09 0.00 0.00 0.00 0.00 44.72 45.83 2wcz s GLY 42 CO -0.07 0.72 1.02 1.16 0.00 0.00 0.00 173.10 175.94 2wcz n ASN 43 N 0.97 1.32 0.00 1.64 0.23 -0.85 -0.93 115.26 117.63 2wcz n ASN 43 Ca -0.20 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 2wcz n ASN 43 Cb 0.57 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 2wcz n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wcz n GLY 44 N -0.72 3.45 0.99 4.83 0.00 -1.26 -4.74 105.19 107.74 2wcz n GLY 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wcz n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wcz n ARG 45 N -1.94 0.00 -4.28 1.61 1.74 -1.26 -5.04 116.66 107.49 2wcz n ARG 45 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2wcz n ARG 45 Cb 0.00 -0.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 2wcz n ARG 45 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wcz s THR 46 N -1.92 4.33 -0.02 0.55 2.01 -1.26 -5.10 115.64 114.23 2wcz s THR 46 Ca 0.00 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2wcz s THR 46 Cb 0.00 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2wcz s THR 46 CO 0.00 0.53 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.92 2wcz s TYR 47 N -0.18 2.10 -0.02 4.92 2.02 -1.26 -2.00 117.35 122.92 2wcz s TYR 47 Ca 0.05 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2wcz s TYR 47 Cb -0.12 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 2wcz s TYR 47 CO 0.02 -0.07 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.23 2wcz s LEU 48 N -0.46 2.02 -0.22 -1.29 1.43 0.60 -0.40 118.68 120.34 2wcz s LEU 48 Ca 0.07 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2wcz s LEU 48 Cb -0.10 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2wcz s LEU 48 CO -0.00 0.22 -0.13 0.00 0.23 0.00 0.00 176.35 176.67 2wcz s ALA 49 N -0.35 2.53 -0.11 4.21 0.00 -0.29 -1.59 121.76 126.15 2wcz s ALA 49 Ca 0.05 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.64 2wcz s ALA 49 Cb -0.08 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2wcz s ALA 49 CO -0.00 -0.65 -0.18 0.42 0.00 0.00 0.00 175.76 175.34 2wcz s ILE 50 N 1.28 1.73 -0.12 0.00 1.01 -0.36 -1.14 121.20 123.59 2wcz s ILE 50 Ca 0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 2wcz s ILE 50 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2wcz s ILE 50 CO -0.08 0.49 0.48 -1.61 0.00 0.00 0.00 174.94 174.22 2wcz s GLU 51 N 0.83 4.33 -0.18 2.79 0.41 -0.26 -0.94 118.70 125.69 2wcz s GLU 51 Ca -0.09 0.45 -0.02 0.00 -0.41 0.00 0.00 54.97 54.90 2wcz s GLU 51 Cb -0.16 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.73 2wcz s GLU 51 CO -0.00 0.13 -0.08 0.08 -0.49 0.00 0.00 175.26 174.91 2wcz s VAL 52 N 0.71 3.33 -0.00 2.63 1.01 -1.26 -0.74 120.40 126.08 2wcz s VAL 52 Ca 0.26 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2wcz s VAL 52 Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2wcz s VAL 52 CO 0.10 0.47 -0.09 -0.54 0.00 0.00 0.00 175.10 175.05 2wcz s LYS 53 N 0.86 0.74 -0.11 2.72 -0.14 0.20 -4.98 119.74 119.03 2wcz s LYS 53 Ca -0.02 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.25 2wcz s LYS 53 Cb -0.15 -0.71 0.01 0.00 -1.68 0.00 0.00 37.83 35.31 2wcz s LYS 53 CO 0.01 0.19 -0.17 -1.64 -0.76 0.00 0.00 175.35 172.98 2wcz s MET 54 N -0.30 2.39 0.06 1.68 -1.94 -1.26 -1.24 119.30 118.68 2wcz s MET 54 Ca 0.03 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 2wcz s MET 54 Cb -0.04 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 2wcz s MET 54 CO -0.00 -0.02 -0.08 1.03 -0.01 0.00 0.00 175.02 175.93 2wcz s ARG 55 N 0.86 0.61 0.32 2.03 1.81 -0.75 -4.98 118.95 118.86 2wcz s ARG 55 Ca -0.09 -0.88 0.17 0.00 -1.72 0.00 0.00 55.73 53.21 2wcz s ARG 55 Cb -0.15 -0.33 0.35 0.00 -0.45 0.00 0.00 34.95 34.36 2wcz s ARG 55 CO 0.00 0.05 1.58 0.87 -0.68 0.00 0.00 175.30 177.12 2wcz h LYS 56 N 4.21 0.00 -2.99 3.54 1.79 -1.98 -3.36 116.57 117.78 2wcz h LYS 56 Ca -0.36 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2wcz h LYS 56 Cb 1.20 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 2wcz h LYS 56 CO 0.45 0.45 0.22 -1.83 -1.08 0.00 0.00 179.45 177.66 2wcz s GLU 57 N -3.24 1.37 0.67 3.15 -1.05 -1.26 -4.53 118.70 113.82 2wcz s GLU 57 Ca 0.02 -0.57 -0.13 0.00 -0.15 0.00 0.00 54.97 54.15 2wcz s GLU 57 Cb 0.09 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 2wcz s GLU 57 CO 0.72 -0.61 1.07 -0.51 0.95 0.00 0.00 175.26 176.88 2wcz s LEU 58 N -2.78 3.26 0.48 1.83 1.43 -1.26 -4.59 118.68 117.06 2wcz s LEU 58 Ca 0.03 1.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 2wcz s LEU 58 Cb -0.02 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2wcz s LEU 58 CO -0.09 -1.50 0.76 -2.16 0.23 0.00 0.00 176.35 173.58 2wcz s PRO 59 N -4.58 3.33 -0.18 1.29 0.05 -1.26 -5.04 135.00 128.60 2wcz s PRO 59 Ca 0.62 -0.03 -0.18 0.00 0.05 0.00 0.00 61.00 61.46 2wcz s PRO 59 Cb -0.16 -2.42 -0.04 0.00 0.05 0.00 0.00 34.50 31.93 2wcz s PRO 59 CO 0.48 -0.27 0.49 -1.17 0.05 0.00 0.00 177.00 176.58 2wcz s LEU 60 N -4.70 4.18 -0.12 -3.56 2.96 -0.45 -4.96 118.68 112.03 2wcz s LEU 60 Ca 0.48 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 55.01 2wcz s LEU 60 Cb -0.10 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2wcz s LEU 60 CO 0.43 -0.12 0.13 -0.31 -1.32 0.00 0.00 176.35 175.16 2wcz s TYR 61 N 1.32 3.56 -0.02 5.38 2.02 -1.26 -0.70 117.35 127.65 2wcz s TYR 61 Ca 0.24 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 2wcz s TYR 61 Cb -0.15 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2wcz s TYR 61 CO 0.09 0.69 -0.12 -0.51 -1.57 0.00 0.00 175.55 174.14 2wcz s LEU 62 N -0.91 1.94 0.62 -1.29 1.02 -0.34 -4.99 118.68 114.73 2wcz s LEU 62 Ca 0.14 -0.22 -0.15 0.00 0.02 0.00 0.00 54.13 53.92 2wcz s LEU 62 Cb -0.12 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.43 2wcz s LEU 62 CO 0.03 0.12 1.07 -0.94 0.02 0.00 0.00 176.35 176.66 2wcz s SER 63 N -0.11 5.57 0.23 2.29 1.04 -1.26 -1.14 113.70 120.31 2wcz s SER 63 Ca 0.02 1.84 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 2wcz s SER 63 Cb -0.06 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 63.84 2wcz s SER 63 CO 0.00 -1.31 1.80 0.00 0.98 0.00 0.00 173.24 174.71 2wcz h ALA 64 N 0.22 1.01 -0.73 5.32 0.00 -1.89 -2.45 119.26 120.73 2wcz h ALA 64 Ca -0.46 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2wcz h ALA 64 Cb 1.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2wcz h ALA 64 CO 0.56 0.03 0.47 0.22 0.00 0.00 0.00 179.25 180.54 2wcz h ASP 65 N 0.69 0.80 -0.53 0.00 3.58 -1.92 0.39 116.42 119.43 2wcz h ASP 65 Ca 0.35 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.69 2wcz h ASP 65 Cb 0.30 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2wcz h ASP 65 CO -0.23 0.57 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.58 2wcz h GLU 66 N 0.95 0.96 -0.40 0.28 4.81 -1.86 -0.42 114.58 118.90 2wcz h GLU 66 Ca 0.28 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2wcz h GLU 66 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2wcz h GLU 66 CO -0.08 0.99 -0.28 0.28 -0.73 0.00 0.00 179.01 179.18 2wcz h VAL 67 N 0.83 1.28 -0.78 0.32 2.07 -1.17 -1.96 116.25 116.83 2wcz h VAL 67 Ca 0.15 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.24 2wcz h VAL 67 Cb 0.58 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2wcz h VAL 67 CO 0.03 0.48 0.50 -0.33 0.02 0.00 0.00 177.57 178.28 2wcz h GLU 68 N 0.71 0.97 -0.62 1.57 5.08 -0.73 -0.62 114.58 120.94 2wcz h GLU 68 Ca 0.08 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2wcz h GLU 68 Cb 0.86 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2wcz h GLU 68 CO 0.08 0.64 0.24 1.96 -1.00 0.00 0.00 179.01 180.93 2wcz h GLN 69 N 1.00 0.92 -0.36 2.33 1.08 -0.92 -0.83 115.11 118.34 2wcz h GLN 69 Ca 0.30 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2wcz h GLN 69 Cb -0.04 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 2wcz h GLN 69 CO -0.09 0.79 0.10 1.25 -0.95 0.00 0.00 178.83 179.93 2wcz h LEU 70 N 0.86 0.54 -0.62 1.46 5.85 -0.91 -0.37 115.31 122.11 2wcz h LEU 70 Ca 0.20 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2wcz h LEU 70 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2wcz h LEU 70 CO -0.02 0.61 0.03 0.58 -0.34 0.00 0.00 178.44 179.31 2wcz h VAL 71 N 0.43 1.27 -0.38 1.05 2.07 -0.93 -0.83 116.25 118.94 2wcz h VAL 71 Ca 0.11 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 2wcz h VAL 71 Cb 0.28 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2wcz h VAL 71 CO -0.00 0.41 0.02 0.74 0.02 0.00 0.00 177.57 178.76 2wcz h THR 72 N 0.98 1.25 -0.22 2.57 2.02 -0.95 -0.90 112.91 117.67 2wcz h THR 72 Ca 0.18 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 2wcz h THR 72 Cb 0.52 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2wcz h THR 72 CO 0.03 0.32 0.13 0.15 0.37 0.00 0.00 175.52 176.52 2wcz h PHE 73 N 0.48 0.30 -0.75 3.16 3.57 -0.88 -1.79 116.94 121.03 2wcz h PHE 73 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2wcz h PHE 73 Cb 0.44 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2wcz h PHE 73 CO 0.03 0.24 0.46 0.00 -2.23 0.00 0.00 178.31 176.81 2wcz h ALA 74 N 1.03 1.00 -0.34 2.41 0.00 -0.99 0.39 119.26 122.77 2wcz h ALA 74 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wcz h ALA 74 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wcz h ALA 74 CO -0.01 0.21 0.14 -0.09 0.00 0.00 0.00 179.25 179.49 2wcz h ARG 75 N 0.87 0.50 -0.50 0.00 9.65 -0.99 0.44 114.38 124.35 2wcz h ARG 75 Ca 0.31 -0.09 -0.12 0.00 -1.10 0.00 0.00 59.98 58.99 2wcz h ARG 75 Cb 0.09 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2wcz h ARG 75 CO -0.14 0.49 -0.16 0.78 2.80 0.00 0.00 179.97 183.74 2wcz h GLY 76 N 0.40 1.05 1.57 2.80 0.00 -0.75 -3.18 103.07 104.96 2wcz h GLY 76 Ca 0.11 -0.88 -0.23 0.00 0.00 0.00 0.00 47.33 46.33 2wcz h GLY 76 CO -0.01 0.80 -0.98 -2.75 0.00 0.00 0.00 176.54 173.60 2wcz h PHE 77 N 0.85 0.58 -1.54 5.60 3.57 -0.86 -3.48 116.94 121.65 2wcz h PHE 77 Ca 0.12 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2wcz h PHE 77 Cb 0.72 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2wcz h PHE 77 CO 0.05 1.16 0.00 0.41 -2.23 0.00 0.00 178.31 177.70 2wcz n GLY 78 N 1.03 0.90 3.16 2.40 0.00 0.01 -5.09 105.19 107.61 2wcz n GLY 78 Ca -0.07 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 2wcz n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcz s ALA 79 N -2.51 0.46 -0.06 4.61 0.00 -0.43 -4.72 121.76 119.12 2wcz s ALA 79 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 2wcz s ALA 79 Cb 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2wcz s ALA 79 CO 0.00 -0.47 0.62 -1.21 0.00 0.00 0.00 175.76 174.70 2wcz s GLU 80 N -3.97 4.38 -0.09 0.00 2.02 0.46 -4.47 118.70 117.03 2wcz s GLU 80 Ca 0.15 0.74 -0.24 0.00 0.02 0.00 0.00 54.97 55.63 2wcz s GLU 80 Cb 0.07 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2wcz s GLU 80 CO -0.04 0.18 0.76 0.00 0.02 0.00 0.00 175.26 176.18 2wcz s ALA 81 N 0.44 3.38 0.04 5.21 0.00 -1.26 -1.14 121.76 128.42 2wcz s ALA 81 Ca 0.33 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2wcz s ALA 81 Cb -0.17 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2wcz s ALA 81 CO 0.16 -0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.26 2wcz s TYR 82 N 1.25 0.65 -0.18 0.00 2.02 -0.29 -2.11 117.35 118.69 2wcz s TYR 82 Ca 0.39 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 2wcz s TYR 82 Cb -0.18 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 2wcz s TYR 82 CO 0.17 -0.07 0.02 0.08 -1.57 0.00 0.00 175.55 174.18 2wcz s VAL 83 N -1.21 4.31 -0.21 0.71 1.01 -0.16 -1.10 120.40 123.74 2wcz s VAL 83 Ca -0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2wcz s VAL 83 Cb -0.09 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2wcz s VAL 83 CO 0.00 0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.64 2wcz s ALA 84 N 0.60 3.36 -0.09 5.51 0.00 0.08 -0.24 121.76 130.98 2wcz s ALA 84 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2wcz s ALA 84 Cb -0.14 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2wcz s ALA 84 CO 0.02 -0.10 -0.17 -1.17 0.00 0.00 0.00 175.76 174.34 2wcz s LEU 85 N 0.90 1.81 -0.18 0.00 2.96 -0.05 -0.63 118.68 123.48 2wcz s LEU 85 Ca 0.04 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2wcz s LEU 85 Cb -0.14 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 2wcz s LEU 85 CO 0.03 0.07 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.28 2wcz s LYS 86 N 0.67 3.35 0.29 1.98 2.47 -0.37 -1.86 119.74 126.27 2wcz s LYS 86 Ca -0.13 -0.66 0.08 0.00 -1.56 0.00 0.00 55.97 53.70 2wcz s LYS 86 Cb -0.16 -2.82 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 2wcz s LYS 86 CO 0.04 -0.03 0.12 -0.51 0.16 0.00 0.00 175.35 175.12 2wcz s LEU 87 N 1.00 3.43 0.34 5.43 1.43 -1.26 -1.80 118.68 127.25 2wcz s LEU 87 Ca -0.01 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 2wcz s LEU 87 Cb -0.15 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 2wcz s LEU 87 CO -0.01 -0.11 1.40 -2.84 0.23 0.00 0.00 176.35 175.02 2wcz s PRO 88 N -3.80 4.24 -1.69 1.29 0.02 -1.26 -2.09 135.00 131.73 2wcz s PRO 88 Ca 0.34 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2wcz s PRO 88 Cb -0.06 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2wcz s PRO 88 CO 0.23 -0.36 0.00 0.54 -0.33 0.00 0.00 177.00 177.08 2wcz n ARG 89 N 0.85 -1.29 -4.92 5.54 1.74 -1.26 -4.98 116.66 112.33 2wcz n ARG 89 Ca 0.01 1.05 -0.26 0.00 -0.77 0.00 0.00 57.85 57.88 2wcz n ARG 89 Cb 0.40 -5.31 -0.15 0.00 -1.02 0.00 0.00 32.46 26.38 2wcz n ARG 89 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wcz s LYS 90 N -3.31 1.57 0.89 5.56 -0.14 -0.89 -5.14 119.74 118.29 2wcz s LYS 90 Ca 0.00 -0.73 -0.10 0.00 -1.36 0.00 0.00 55.97 53.78 2wcz s LYS 90 Cb 0.00 -1.54 0.13 0.00 -1.68 0.00 0.00 37.83 34.75 2wcz s LYS 90 CO 0.00 0.42 1.14 -1.59 -0.76 0.00 0.00 175.35 174.56 2wcz s LYS 91 N -0.54 1.20 0.27 1.68 -2.85 -1.26 -4.39 119.74 113.85 2wcz s LYS 91 Ca 0.08 1.51 -0.30 0.00 -1.00 0.00 0.00 55.97 56.26 2wcz s LYS 91 Cb -0.08 -1.75 -0.13 0.00 -2.06 0.00 0.00 37.83 33.82 2wcz s LYS 91 CO -0.00 -2.49 1.47 0.91 0.10 0.00 0.00 175.35 175.33 2wcz n TRP 92 N -4.11 2.46 -5.20 1.78 7.02 -1.26 -4.68 117.44 113.45 2wcz n TRP 92 Ca 0.12 0.38 -0.30 0.00 -1.02 0.00 0.00 57.50 56.68 2wcz n TRP 92 Cb 0.52 -2.51 -0.16 0.00 -2.42 0.00 0.00 31.31 26.74 2wcz n TRP 92 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2wcz s ARG 93 N -0.64 1.95 -0.15 -0.99 1.81 -0.78 -4.49 118.95 115.66 2wcz s ARG 93 Ca 0.65 -0.87 -0.00 0.00 -1.72 0.00 0.00 55.73 53.79 2wcz s ARG 93 Cb -0.58 -1.89 -0.01 0.00 -0.45 0.00 0.00 34.95 32.02 2wcz s ARG 93 CO 0.51 0.52 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.45 2wcz s PHE 94 N -0.57 2.81 -0.28 -0.53 0.08 0.58 -0.87 117.98 119.19 2wcz s PHE 94 Ca 0.09 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.24 2wcz s PHE 94 Cb -0.09 -1.90 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2wcz s PHE 94 CO -0.01 -0.40 -0.05 -0.06 -0.10 0.00 0.00 175.22 174.60 2wcz s PHE 95 N 0.74 3.26 0.66 0.36 0.08 0.66 -0.52 117.98 123.22 2wcz s PHE 95 Ca -0.06 -2.04 -0.17 0.00 0.12 0.00 0.00 56.93 54.78 2wcz s PHE 95 Cb -0.15 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2wcz s PHE 95 CO 0.01 -0.83 1.11 -2.30 -0.10 0.00 0.00 175.22 173.11 2wcz n PRO 96 N 4.55 0.87 0.27 0.24 -0.02 -1.26 -0.99 135.00 138.66 2wcz n PRO 96 Ca -0.14 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2wcz n PRO 96 Cb 0.43 -2.34 0.78 0.00 -0.02 0.00 0.00 33.50 32.34 2wcz n PRO 96 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wcz h VAL 97 N 0.29 0.68 -0.23 -1.45 -1.51 -1.80 -0.36 116.25 111.87 2wcz h VAL 97 Ca -0.49 -0.23 0.07 0.00 -1.23 0.00 0.00 66.70 64.81 2wcz h VAL 97 Cb 1.35 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 2wcz h VAL 97 CO 0.51 0.06 0.19 -0.61 -1.23 0.00 0.00 177.57 176.49 2wcz h GLN 98 N 0.00 0.00 0.00 5.19 4.15 -1.89 -2.28 115.11 120.28 2wcz h GLN 98 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wcz h GLN 98 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2wcz h GLN 98 CO 0.01 0.00 -0.38 1.98 -1.93 0.00 0.00 178.83 178.51 2wcz h MET 99 N 0.00 0.00 -6.91 1.69 4.05 -1.39 -3.46 114.93 108.91 2wcz h MET 99 Ca 0.11 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 59.00 2wcz h MET 99 Cb 0.50 0.00 0.08 0.00 -0.80 0.00 0.00 31.60 31.38 2wcz h MET 99 CO -0.00 0.00 0.67 -0.51 0.23 0.00 0.00 176.91 177.30 2wcz s LEU 100 N -4.87 4.35 -0.13 3.39 1.43 -0.86 -4.97 118.68 117.01 2wcz s LEU 100 Ca 0.07 2.78 -0.25 0.00 -1.03 0.00 0.00 54.13 55.69 2wcz s LEU 100 Cb 0.11 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2wcz s LEU 100 CO 0.69 -0.71 0.82 -0.70 0.23 0.00 0.00 176.35 176.68 2wcz s GLU 101 N -1.98 4.35 -0.32 1.70 2.12 -0.59 -4.89 118.70 119.08 2wcz s GLU 101 Ca 0.52 1.04 -0.28 0.00 0.36 0.00 0.00 54.97 56.61 2wcz s GLU 101 Cb -0.41 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.45 2wcz s GLU 101 CO 0.55 -0.22 1.01 0.50 -0.54 0.00 0.00 175.26 176.55 2wcz s ARG 102 N 1.77 4.02 -0.20 4.30 6.06 -1.26 -0.80 118.95 132.85 2wcz s ARG 102 Ca 0.40 0.94 -0.18 0.00 -2.50 0.00 0.00 55.73 54.38 2wcz s ARG 102 Cb -0.17 -3.74 0.05 0.00 0.06 0.00 0.00 34.95 31.15 2wcz s ARG 102 CO 0.15 -0.87 0.54 -0.08 -2.50 0.00 0.00 175.30 172.54 2wcz s THR 103 N 3.52 -0.00 -1.46 4.11 -1.32 -0.16 -4.91 115.64 115.42 2wcz s THR 103 Ca 0.42 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 2wcz s THR 103 Cb -0.12 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.18 2wcz s THR 103 CO 0.15 0.00 0.80 -0.62 -2.21 0.00 0.00 174.62 172.74 2wcz n GLU 104 N 2.91 -5.03 -0.98 7.08 1.02 -1.26 -1.33 120.64 123.04 2wcz n GLU 104 Ca -0.14 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2wcz n GLU 104 Cb 0.56 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 2wcz n GLU 104 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wcz n LYS 105 N -4.33 -0.74 0.00 3.49 5.02 -1.26 -4.94 118.16 115.40 2wcz n LYS 105 Ca -0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2wcz n LYS 105 Cb 0.55 -3.77 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 2wcz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wcz n ASN 106 N -0.37 0.05 -4.27 4.39 3.02 -0.44 -4.39 115.26 113.25 2wcz n ASN 106 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 2wcz n ASN 106 Cb 0.19 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 2wcz n ASN 106 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wcz s PHE 107 N -0.35 1.43 -0.08 3.10 0.08 -0.29 -0.99 117.98 120.88 2wcz s PHE 107 Ca 0.00 -0.63 -0.17 0.00 0.12 0.00 0.00 56.93 56.25 2wcz s PHE 107 Cb 0.00 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.77 2wcz s PHE 107 CO 0.00 0.18 0.42 0.21 -0.10 0.00 0.00 175.22 175.92 2wcz s LYS 108 N -3.26 0.66 -0.28 0.44 2.20 0.02 -1.20 119.74 118.33 2wcz s LYS 108 Ca 0.15 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2wcz s LYS 108 Cb -0.01 0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.68 2wcz s LYS 108 CO 0.03 -0.15 -0.06 0.42 -0.36 0.00 0.00 175.35 175.22 2wcz s ILE 109 N -0.66 2.13 0.00 5.43 1.01 0.13 -1.54 121.20 127.70 2wcz s ILE 109 Ca -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 58.79 2wcz s ILE 109 Cb -0.04 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2wcz s ILE 109 CO 0.04 -0.19 0.00 -0.90 0.00 0.00 0.00 174.94 173.89 2wcz n ASP 110 N 4.41 1.18 0.30 3.58 5.68 -1.26 -1.34 116.55 129.10 2wcz n ASP 110 Ca -0.09 -0.40 0.19 0.00 -0.50 0.00 0.00 54.79 53.98 2wcz n ASP 110 Cb 0.42 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.32 2wcz n ASP 110 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wcz h GLU 111 N 0.00 0.00 0.00 0.11 3.07 -1.99 -0.81 114.58 114.96 2wcz h GLU 111 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wcz h GLU 111 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2wcz h GLU 111 CO 0.00 0.02 -0.23 -1.13 -1.40 0.00 0.00 179.01 176.28 2wcz n SER 112 N -3.20 0.53 -0.05 1.42 3.41 -1.26 -4.23 113.62 110.24 2wcz n SER 112 Ca -0.01 0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.85 2wcz n SER 112 Cb 0.19 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2wcz n SER 112 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wcz n VAL 113 N -1.92 0.64 -0.24 -3.33 0.31 -0.74 -4.76 118.33 108.29 2wcz n VAL 113 Ca 0.05 -0.28 0.03 0.00 -0.01 0.00 0.00 64.34 64.14 2wcz n VAL 113 Cb 0.40 -0.87 0.16 0.00 -0.91 0.00 0.00 33.84 32.62 2wcz n VAL 113 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2wcz h TYR 114 N 0.00 0.46 0.00 3.52 3.20 -1.35 -0.60 116.97 122.19 2wcz h TYR 114 Ca -0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2wcz h TYR 114 Cb 1.43 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 2wcz h TYR 114 CO 0.01 0.07 -0.02 -1.35 -1.64 0.00 0.00 178.16 175.22 2wcz h PRO 115 N 0.42 0.00 -0.00 1.82 0.11 -1.85 -1.07 132.00 131.43 2wcz h PRO 115 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2wcz h PRO 115 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2wcz h PRO 115 CO -0.38 0.02 -0.07 1.28 -0.21 0.00 0.00 178.00 178.65 2wcz n LEU 116 N -3.50 0.18 -4.76 2.35 4.77 -0.23 -4.90 117.00 110.90 2wcz n LEU 116 Ca -0.03 0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.78 2wcz n LEU 116 Cb 0.12 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2wcz n LEU 116 CO 0.25 0.04 0.93 -0.83 -1.33 0.00 0.00 177.39 176.45 2wcz s GLY 117 N -2.63 2.86 0.41 -0.72 0.00 -0.41 -4.98 107.32 101.84 2wcz s GLY 117 Ca 0.25 1.18 -0.14 0.00 0.00 0.00 0.00 44.72 46.01 2wcz s GLY 117 CO 0.49 1.70 0.83 1.08 0.00 0.00 0.00 173.10 177.20 2wcz s LEU 118 N -3.13 3.87 0.53 0.66 1.43 0.33 -4.68 118.68 117.69 2wcz s LEU 118 Ca 0.66 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 55.03 2wcz s LEU 118 Cb -0.36 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 2wcz s LEU 118 CO 0.44 -0.38 0.86 -1.83 0.23 0.00 0.00 176.35 175.67 2wcz s GLU 119 N -3.56 3.40 0.29 1.70 -1.05 -1.26 -0.31 118.70 117.91 2wcz s GLU 119 Ca 0.55 0.25 -0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2wcz s GLU 119 Cb -0.10 -2.30 0.49 0.00 -0.44 0.00 0.00 34.13 31.78 2wcz s GLU 119 CO 0.25 -0.39 1.89 0.97 0.95 0.00 0.00 175.26 178.93 2wcz h ILE 120 N 0.03 1.05 -0.83 1.83 2.10 -1.98 -1.26 117.51 118.45 2wcz h ILE 120 Ca -0.46 -0.37 0.11 0.00 1.08 0.00 0.00 64.86 65.22 2wcz h ILE 120 Cb 1.21 -0.12 -0.06 0.00 -1.09 0.00 0.00 36.82 36.76 2wcz h ILE 120 CO 0.62 0.20 0.54 0.00 -1.08 0.00 0.00 178.15 178.42 2wcz h ALA 121 N 1.49 1.79 0.00 0.18 0.00 -1.94 -1.20 119.26 119.57 2wcz h ALA 121 Ca 0.42 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 2wcz h ALA 121 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wcz h ALA 121 CO -0.17 0.02 -0.52 0.93 0.00 0.00 0.00 179.25 179.51 2wcz h GLU 122 N 0.72 0.00 -0.50 0.00 5.08 -1.61 -3.07 114.58 115.20 2wcz h GLU 122 Ca 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2wcz h GLU 122 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2wcz h GLU 122 CO -0.16 0.52 0.26 0.28 -1.00 0.00 0.00 179.01 178.91 2wcz h VAL 123 N 0.00 1.18 -0.29 3.13 2.07 -1.13 -2.44 116.25 118.77 2wcz h VAL 123 Ca -0.01 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2wcz h VAL 123 Cb 0.94 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2wcz h VAL 123 CO 0.07 0.20 0.18 0.00 0.02 0.00 0.00 177.57 178.04 2wcz h ALA 124 N 1.10 0.36 0.00 1.67 0.00 -1.51 -3.12 119.26 117.77 2wcz h ALA 124 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wcz h ALA 124 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wcz h ALA 124 CO -0.03 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2wcz n GLY 125 N -1.11 -1.19 0.35 0.00 0.00 -1.05 -3.29 105.19 98.89 2wcz n GLY 125 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2wcz n GLY 125 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wcz h LYS 126 N 0.00 0.76 -0.68 1.61 3.64 -1.38 -1.85 116.57 118.67 2wcz h LYS 126 Ca 0.00 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.48 2wcz h LYS 126 Cb 0.34 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2wcz h LYS 126 CO 0.00 0.50 0.46 0.35 -2.27 0.00 0.00 179.45 178.50 2wcz h PHE 127 N 0.78 0.33 -0.02 1.91 3.57 -1.77 -3.53 116.94 118.21 2wcz h PHE 127 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2wcz h PHE 127 Cb 0.13 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2wcz h PHE 127 CO -0.00 0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.40