#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcw h THR 6 N 0.00 1.12 -0.48 2.61 2.02 -2.03 -2.54 112.91 113.62 2wcw h THR 6 Ca 0.00 -1.40 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 2wcw h THR 6 Cb 0.00 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2wcw h THR 6 CO 0.00 0.38 0.15 -0.09 0.37 0.00 0.00 175.52 176.33 2wcw h ARG 7 N 0.00 0.75 -0.15 6.66 1.12 -2.06 -1.24 114.38 119.48 2wcw h ARG 7 Ca -0.00 -0.16 -0.18 0.00 -1.11 0.00 0.00 59.98 58.53 2wcw h ARG 7 Cb 0.76 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2wcw h ARG 7 CO 0.05 0.71 -0.64 0.74 -3.11 0.00 0.00 179.97 177.73 2wcw h PHE 8 N 0.65 0.70 -0.08 2.20 0.04 -1.97 -2.40 116.94 116.07 2wcw h PHE 8 Ca 0.16 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 2wcw h PHE 8 Cb 0.28 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2wcw h PHE 8 CO 0.01 1.03 -0.26 0.93 -0.60 0.00 0.00 178.31 179.42 2wcw h GLU 9 N 0.39 0.14 -0.02 1.51 5.08 -1.29 -1.66 114.58 118.74 2wcw h GLU 9 Ca -0.01 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2wcw h GLU 9 Cb 1.20 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.46 2wcw h GLU 9 CO 0.12 0.40 -1.00 0.00 -1.00 0.00 0.00 179.01 177.53 2wcw h ARG 10 N 0.13 0.68 -0.85 2.33 3.08 -1.06 -1.70 114.38 116.98 2wcw h ARG 10 Ca 0.02 -0.70 0.02 0.00 0.07 0.00 0.00 59.98 59.39 2wcw h ARG 10 Cb 0.54 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2wcw h ARG 10 CO 0.04 1.29 0.56 0.22 -1.07 0.00 0.00 179.97 181.01 2wcw h ASP 11 N 0.39 0.95 -0.47 7.04 3.58 -1.22 -2.14 116.42 124.56 2wcw h ASP 11 Ca -0.11 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.19 2wcw h ASP 11 Cb 1.65 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 2wcw h ASP 11 CO 0.19 0.67 -0.20 0.25 -2.88 0.00 0.00 179.24 177.27 2wcw h LEU 12 N 1.12 1.00 -0.44 2.28 5.85 -1.19 -1.88 115.31 122.04 2wcw h LEU 12 Ca 0.33 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2wcw h LEU 12 Cb -0.07 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.63 2wcw h LEU 12 CO -0.09 1.16 0.14 -0.07 -0.34 0.00 0.00 178.44 179.24 2wcw h LEU 13 N 0.85 0.13 -0.61 2.25 3.38 -0.96 0.81 115.31 121.16 2wcw h LEU 13 Ca 0.11 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2wcw h LEU 13 Cb 0.77 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2wcw h LEU 13 CO 0.06 0.11 0.33 0.58 0.09 0.00 0.00 178.44 179.61 2wcw h VAL 14 N 0.30 0.98 -0.80 1.22 2.07 -1.09 0.05 116.25 118.98 2wcw h VAL 14 Ca 0.21 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2wcw h VAL 14 Cb 0.22 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2wcw h VAL 14 CO -0.23 0.12 0.38 -0.33 0.02 0.00 0.00 177.57 177.53 2wcw h GLU 15 N 0.63 1.15 -0.19 1.57 4.39 -0.65 0.11 114.58 121.59 2wcw h GLU 15 Ca 0.27 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2wcw h GLU 15 Cb 0.14 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2wcw h GLU 15 CO -0.16 0.88 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.46 2wcw h LEU 16 N 1.14 0.36 -0.59 1.33 3.38 -0.29 -1.18 115.31 119.46 2wcw h LEU 16 Ca 0.27 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wcw h LEU 16 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wcw h LEU 16 CO -0.03 0.65 0.27 -0.50 0.09 0.00 0.00 178.44 178.92 2wcw h TRP 17 N 0.08 0.85 -0.55 1.13 4.06 -0.78 0.05 115.95 120.79 2wcw h TRP 17 Ca 0.05 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 61.01 2wcw h TRP 17 Cb 0.49 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 2wcw h TRP 17 CO 0.05 0.66 0.37 0.87 -3.56 0.00 0.00 178.44 176.83 2wcw h LYS 18 N 0.80 0.49 -0.20 0.49 1.57 -0.66 -1.42 116.57 117.64 2wcw h LYS 18 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wcw h LYS 18 Cb 0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wcw h LYS 18 CO -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 2wcw n ALA 19 N -2.49 2.49 -0.49 3.86 0.00 -0.46 -4.89 120.51 118.53 2wcw n ALA 19 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2wcw n ALA 19 Cb 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.94 0.75 3.59 0.00 0.00 -0.54 -4.92 105.19 105.01 2wcw n GLY 20 Ca 0.11 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 3.23 -0.06 1.61 0.08 -0.11 -4.52 117.98 116.20 2wcw s PHE 21 Ca 0.00 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 2wcw s PHE 21 Cb 0.00 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2wcw s PHE 21 CO 0.00 -0.02 1.13 0.00 -0.10 0.00 0.00 175.22 176.23 2wcw s ALA 22 N 0.99 3.44 0.03 5.36 0.00 -0.16 -2.68 121.76 128.75 2wcw s ALA 22 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2wcw s ALA 22 Cb -0.14 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2wcw s ALA 22 CO 0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 175.76 175.08 2wcw s ALA 23 N 2.03 0.30 0.08 0.00 0.00 -1.26 -1.41 121.76 121.51 2wcw s ALA 23 Ca 0.53 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2wcw s ALA 23 Cb -0.23 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2wcw s ALA 23 CO 0.21 -0.16 -0.09 0.96 0.00 0.00 0.00 175.76 176.68 2wcw s ILE 24 N -1.82 0.82 0.16 0.00 -5.25 -0.47 -5.01 121.20 109.63 2wcw s ILE 24 Ca -0.11 -1.54 -0.18 0.00 -0.99 0.00 0.00 60.65 57.83 2wcw s ILE 24 Cb -0.07 -1.22 -0.07 0.00 2.95 0.00 0.00 42.46 44.04 2wcw s ILE 24 CO -0.02 -0.55 0.62 -0.13 -1.79 0.00 0.00 174.94 173.08 2wcw s ARG 25 N -2.62 4.15 0.02 0.37 0.52 -1.26 -1.97 118.95 118.16 2wcw s ARG 25 Ca 0.03 0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 55.68 2wcw s ARG 25 Cb -0.04 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2wcw s ARG 25 CO -0.01 0.49 0.81 0.08 0.02 0.00 0.00 175.30 176.70 2wcw s VAL 26 N -1.39 4.78 0.44 3.52 1.01 -0.13 -4.95 120.40 123.68 2wcw s VAL 26 Ca 0.37 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.86 2wcw s VAL 26 Cb -0.17 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 2wcw s VAL 26 CO 0.20 0.31 0.95 0.00 0.00 0.00 0.00 175.10 176.55 2wcw s ALA 27 N 0.27 3.06 0.00 5.51 0.00 -1.26 -4.98 121.76 124.35 2wcw s ALA 27 Ca 0.41 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2wcw s ALA 27 Cb -0.20 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2wcw s ALA 27 CO 0.24 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2wcw n GLY 28 N -0.79 3.58 3.11 0.00 0.00 -1.26 -5.12 105.19 104.71 2wcw n GLY 28 Ca 0.07 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 2wcw n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcw s ALA 29 N -1.63 -0.55 0.00 4.61 0.00 -1.26 -5.12 121.76 117.82 2wcw s ALA 29 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2wcw s ALA 29 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2wcw s ALA 29 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2wcw n GLY 30 N 2.82 -0.97 3.75 0.00 0.00 -1.26 -4.93 105.19 104.61 2wcw n GLY 30 Ca -0.13 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2wcw n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wcw s VAL 31 N 0.00 2.94 0.01 1.61 1.01 -1.26 -5.02 120.40 119.69 2wcw s VAL 31 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2wcw s VAL 31 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2wcw s VAL 31 CO 0.00 0.16 -0.02 -0.55 0.00 0.00 0.00 175.10 174.69 2wcw s SER 32 N -0.00 0.19 0.47 3.32 0.15 -1.26 -5.03 113.70 111.54 2wcw s SER 32 Ca 0.54 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 57.22 2wcw s SER 32 Cb -0.38 0.04 0.80 0.00 -1.71 0.00 0.00 66.02 64.76 2wcw s SER 32 CO 0.44 -0.13 1.77 -0.65 1.20 0.00 0.00 173.24 175.88 2wcw h PRO 33 N 5.44 0.00 -6.62 5.44 0.11 -2.04 -3.45 132.00 130.87 2wcw h PRO 33 Ca -0.28 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.17 2wcw h PRO 33 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 2wcw h PRO 33 CO 0.46 0.00 -0.86 -0.06 -0.21 0.00 0.00 178.00 177.33 2wcw s PHE 34 N -3.40 2.16 0.26 0.65 0.08 -1.26 -5.11 117.98 111.36 2wcw s PHE 34 Ca 0.05 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2wcw s PHE 34 Cb 0.07 -1.22 -0.09 0.00 -0.57 0.00 0.00 43.02 41.20 2wcw s PHE 34 CO 0.61 0.22 1.09 -1.25 -0.10 0.00 0.00 175.22 175.79 2wcw s PRO 35 N -1.67 4.64 -0.02 0.24 0.04 -1.26 -5.03 135.00 131.95 2wcw s PRO 35 Ca 0.11 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.94 2wcw s PRO 35 Cb -0.10 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2wcw s PRO 35 CO 0.04 0.20 -0.03 0.00 0.04 0.00 0.00 177.00 177.25 2wcw n PRO 37 N 3.42 -0.40 0.06 0.00 -0.04 -1.26 -4.66 135.00 132.12 2wcw n PRO 37 Ca -0.18 -1.31 -0.22 0.00 -0.04 0.00 0.00 63.50 61.74 2wcw n PRO 37 Cb 0.55 -0.63 -0.15 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.76 0.58 -4.28 3.54 3.32 -1.57 -3.43 116.42 113.83 2wcw h ASP 38 Ca -0.22 -0.92 -0.32 0.00 0.02 0.00 0.00 57.03 55.59 2wcw h ASP 38 Cb 0.68 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 39.79 2wcw h ASP 38 CO 0.18 1.78 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.10 2wcw s ILE 39 N -2.58 0.54 -0.04 0.35 1.01 -0.71 -0.96 121.20 118.82 2wcw s ILE 39 Ca -0.16 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2wcw s ILE 39 Cb 0.06 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 2wcw s ILE 39 CO 0.84 -0.08 -0.21 -0.69 0.00 0.00 0.00 174.94 174.81 2wcw s VAL 40 N -0.67 1.70 0.05 2.92 1.01 -0.83 -1.01 120.40 123.57 2wcw s VAL 40 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2wcw s VAL 40 Cb -0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2wcw s VAL 40 CO 0.00 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.64 2wcw s ALA 41 N -0.23 0.16 -0.01 5.51 0.00 -0.28 -1.37 121.76 125.53 2wcw s ALA 41 Ca 0.01 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 2wcw s ALA 41 Cb -0.11 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.37 2wcw s ALA 41 CO 0.01 -0.37 0.62 0.20 0.00 0.00 0.00 175.76 176.23 2wcw s GLY 42 N -2.56 -0.53 -0.05 0.00 0.00 -0.50 -0.07 107.32 103.60 2wcw s GLY 42 Ca 0.01 1.06 0.08 0.00 0.00 0.00 0.00 44.72 45.87 2wcw s GLY 42 CO -0.08 0.72 1.00 1.16 0.00 0.00 0.00 173.10 175.90 2wcw n ASN 43 N 0.74 1.39 0.00 1.64 0.23 -0.69 -0.99 115.26 117.58 2wcw n ASN 43 Ca -0.19 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 2wcw n ASN 43 Cb 0.58 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 -0.71 3.37 0.00 4.83 0.00 -1.26 -4.74 105.19 106.68 2wcw n GLY 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.91 1.05 -4.99 1.61 1.85 -1.26 -5.03 116.66 107.99 2wcw n ARG 45 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2wcw n ARG 45 Cb 0.00 -0.82 -0.15 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.64 2.66 -0.06 8.89 2.01 -1.26 -5.12 115.64 121.12 2wcw s THR 46 Ca 0.00 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2wcw s THR 46 Cb 0.00 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2wcw s THR 46 CO 0.00 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.06 2wcw s TYR 47 N 0.02 2.78 -0.03 4.92 2.02 -1.26 -1.71 117.35 124.08 2wcw s TYR 47 Ca -0.06 -0.10 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2wcw s TYR 47 Cb -0.15 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2wcw s TYR 47 CO 0.05 0.23 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.55 2wcw s LEU 48 N -0.75 2.00 -0.20 -1.29 1.43 0.89 -0.67 118.68 120.10 2wcw s LEU 48 Ca 0.12 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2wcw s LEU 48 Cb -0.11 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2wcw s LEU 48 CO 0.01 0.22 -0.16 0.00 0.23 0.00 0.00 176.35 176.65 2wcw s ALA 49 N -0.24 2.46 -0.08 4.21 0.00 -0.25 -1.13 121.76 126.73 2wcw s ALA 49 Ca 0.02 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2wcw s ALA 49 Cb -0.10 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2wcw s ALA 49 CO 0.01 -0.44 -0.19 0.42 0.00 0.00 0.00 175.76 175.56 2wcw s ILE 50 N 1.32 1.66 -0.19 0.00 1.01 -0.18 -1.00 121.20 123.82 2wcw s ILE 50 Ca 0.04 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 2wcw s ILE 50 Cb -0.14 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2wcw s ILE 50 CO -0.10 0.47 0.27 -0.70 0.00 0.00 0.00 174.94 174.88 2wcw s GLU 51 N 0.46 4.20 -0.21 2.79 2.56 -0.30 -1.27 118.70 126.92 2wcw s GLU 51 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 54.97 54.74 2wcw s GLU 51 Cb -0.17 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 2wcw s GLU 51 CO 0.07 0.16 0.06 0.08 -0.56 0.00 0.00 175.26 175.06 2wcw s VAL 52 N 0.74 4.50 0.01 3.70 1.01 -1.26 -0.85 120.40 128.25 2wcw s VAL 52 Ca 0.14 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2wcw s VAL 52 Cb -0.13 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wcw s VAL 52 CO 0.04 0.40 -0.09 -0.54 0.00 0.00 0.00 175.10 174.91 2wcw s LYS 53 N 0.99 0.66 -0.04 2.72 -0.14 0.11 -4.98 119.74 119.05 2wcw s LYS 53 Ca 0.04 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.24 2wcw s LYS 53 Cb -0.14 -0.61 0.00 0.00 -1.68 0.00 0.00 37.83 35.40 2wcw s LYS 53 CO 0.03 0.16 -0.12 0.00 -0.76 0.00 0.00 175.35 174.65 2wcw s MET 54 N -0.57 1.42 0.06 1.68 0.23 -1.26 -1.23 119.30 119.62 2wcw s MET 54 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 55.69 54.26 2wcw s MET 54 Cb -0.05 -1.24 -0.03 0.00 -1.53 0.00 0.00 34.83 31.98 2wcw s MET 54 CO 0.00 0.12 -0.06 1.03 -2.03 0.00 0.00 175.02 174.08 2wcw s ARG 55 N 0.31 0.60 0.21 3.16 1.81 -0.64 -4.96 118.95 119.44 2wcw s ARG 55 Ca -0.07 -0.95 0.11 0.00 -1.72 0.00 0.00 55.73 53.10 2wcw s ARG 55 Cb -0.12 -0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.22 2wcw s ARG 55 CO 0.02 0.00 1.40 0.87 -0.68 0.00 0.00 175.30 176.92 2wcw h LYS 56 N 3.94 0.00 -2.66 3.54 1.79 -1.98 -3.32 116.57 117.89 2wcw h LYS 56 Ca -0.35 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.06 2wcw h LYS 56 Cb 1.19 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.67 2wcw h LYS 56 CO 0.50 0.74 0.07 -1.83 -1.08 0.00 0.00 179.45 177.84 2wcw s GLU 57 N -2.95 1.05 0.69 3.15 -1.05 -1.26 -4.48 118.70 113.84 2wcw s GLU 57 Ca 0.02 -0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 54.56 2wcw s GLU 57 Cb 0.09 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.27 2wcw s GLU 57 CO 0.78 -0.37 1.07 -0.51 0.95 0.00 0.00 175.26 177.17 2wcw s LEU 58 N -1.86 3.20 0.56 1.83 1.43 -1.26 -4.66 118.68 117.92 2wcw s LEU 58 Ca -0.06 1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 2wcw s LEU 58 Cb -0.01 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.70 2wcw s LEU 58 CO -0.00 -1.49 0.87 -2.16 0.23 0.00 0.00 176.35 173.80 2wcw s PRO 59 N -4.79 3.04 -0.19 1.29 0.04 -1.26 -5.00 135.00 128.13 2wcw s PRO 59 Ca 0.60 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.56 2wcw s PRO 59 Cb -0.15 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2wcw s PRO 59 CO 0.51 -0.59 0.10 -1.17 0.04 0.00 0.00 177.00 175.89 2wcw s LEU 60 N -4.92 4.06 -0.08 -3.56 2.96 -0.03 -4.97 118.68 112.14 2wcw s LEU 60 Ca 0.52 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2wcw s LEU 60 Cb -0.10 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2wcw s LEU 60 CO 0.45 0.19 -0.15 -0.31 -1.32 0.00 0.00 176.35 175.21 2wcw s TYR 61 N 0.27 2.71 0.03 5.38 2.02 -1.26 -0.55 117.35 125.95 2wcw s TYR 61 Ca 0.07 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.48 2wcw s TYR 61 Cb -0.12 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 2wcw s TYR 61 CO -0.01 0.03 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.29 2wcw s LEU 62 N -0.35 2.13 0.67 -1.29 1.02 0.50 -4.98 118.68 116.38 2wcw s LEU 62 Ca 0.03 -0.48 -0.13 0.00 0.02 0.00 0.00 54.13 53.58 2wcw s LEU 62 Cb -0.12 -0.96 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 2wcw s LEU 62 CO 0.02 0.17 1.06 -0.94 0.02 0.00 0.00 176.35 176.69 2wcw s SER 63 N -0.99 5.42 0.33 2.29 1.04 -1.26 -0.44 113.70 120.08 2wcw s SER 63 Ca 0.07 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.25 2wcw s SER 63 Cb -0.08 -2.51 0.58 0.00 0.10 0.00 0.00 66.02 64.10 2wcw s SER 63 CO 0.01 -1.41 1.94 0.00 0.98 0.00 0.00 173.24 174.76 2wcw h ALA 64 N -0.31 1.44 -0.77 5.32 0.00 -1.91 -1.40 119.26 121.63 2wcw h ALA 64 Ca -0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2wcw h ALA 64 Cb 1.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2wcw h ALA 64 CO 0.56 0.45 0.33 -0.44 0.00 0.00 0.00 179.25 180.15 2wcw h ASP 65 N 0.77 1.05 -0.41 0.00 3.32 -1.98 0.12 116.42 119.29 2wcw h ASP 65 Ca 0.19 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 2wcw h ASP 65 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2wcw h ASP 65 CO -0.03 0.92 -0.31 -0.08 -1.72 0.00 0.00 179.24 178.02 2wcw h GLU 66 N 1.12 0.94 -0.51 3.56 4.81 -1.80 -1.27 114.58 121.43 2wcw h GLU 66 Ca 0.26 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 2wcw h GLU 66 Cb 0.18 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2wcw h GLU 66 CO -0.02 1.12 0.09 0.28 -0.73 0.00 0.00 179.01 179.75 2wcw h VAL 67 N 0.77 1.25 -0.65 0.32 2.07 -1.02 -2.13 116.25 116.86 2wcw h VAL 67 Ca 0.08 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2wcw h VAL 67 Cb 0.90 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2wcw h VAL 67 CO 0.08 0.33 0.40 -0.08 0.02 0.00 0.00 177.57 178.33 2wcw h GLU 68 N 0.71 0.87 -0.49 1.57 4.81 -0.65 -0.96 114.58 120.44 2wcw h GLU 68 Ca 0.15 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2wcw h GLU 68 Cb 0.38 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2wcw h GLU 68 CO 0.01 0.61 0.24 0.37 -0.73 0.00 0.00 179.01 179.51 2wcw h GLN 69 N 0.88 0.71 -0.05 1.92 4.15 -1.05 -0.22 115.11 121.44 2wcw h GLN 69 Ca 0.23 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 2wcw h GLN 69 Cb -0.05 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 2wcw h GLN 69 CO -0.05 0.59 0.03 1.25 -1.93 0.00 0.00 178.83 178.72 2wcw h LEU 70 N 0.65 0.06 -0.62 -2.39 5.85 -0.96 -1.81 115.31 116.09 2wcw h LEU 70 Ca 0.17 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 2wcw h LEU 70 Cb 0.11 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2wcw h LEU 70 CO -0.02 0.11 -0.37 0.58 -0.34 0.00 0.00 178.44 178.40 2wcw h VAL 71 N -0.00 1.29 -0.29 1.05 2.07 -0.99 -0.74 116.25 118.64 2wcw h VAL 71 Ca 0.02 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2wcw h VAL 71 Cb 0.07 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2wcw h VAL 71 CO -0.00 0.49 0.14 0.74 0.02 0.00 0.00 177.57 178.96 2wcw h THR 72 N 0.57 1.14 -0.13 2.57 2.02 -0.96 0.12 112.91 118.24 2wcw h THR 72 Ca 0.05 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2wcw h THR 72 Cb 0.89 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2wcw h THR 72 CO 0.08 0.15 0.07 0.15 0.37 0.00 0.00 175.52 176.33 2wcw h PHE 73 N 0.33 0.18 -0.63 3.16 3.57 -1.11 -2.23 116.94 120.21 2wcw h PHE 73 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2wcw h PHE 73 Cb 0.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2wcw h PHE 73 CO -0.02 0.19 0.33 0.00 -2.23 0.00 0.00 178.31 176.58 2wcw h ALA 74 N 0.97 0.82 -0.58 2.41 0.00 -0.86 0.64 119.26 122.65 2wcw h ALA 74 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2wcw h ALA 74 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2wcw h ALA 74 CO -0.01 0.35 0.01 -0.09 0.00 0.00 0.00 179.25 179.52 2wcw h ARG 75 N 0.87 1.02 -0.45 0.00 2.43 -0.94 -0.16 114.38 117.15 2wcw h ARG 75 Ca 0.22 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2wcw h ARG 75 Cb 0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2wcw h ARG 75 CO -0.03 1.00 -0.10 0.78 -1.51 0.00 0.00 179.97 180.11 2wcw h GLY 76 N 0.92 0.88 1.75 2.80 0.00 -0.94 -3.20 103.07 105.27 2wcw h GLY 76 Ca 0.17 -0.66 -0.22 0.00 0.00 0.00 0.00 47.33 46.62 2wcw h GLY 76 CO 0.03 0.61 -0.96 -2.75 0.00 0.00 0.00 176.54 173.46 2wcw h PHE 77 N 0.73 0.34 -1.12 5.60 3.57 -0.70 -3.48 116.94 121.88 2wcw h PHE 77 Ca 0.12 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2wcw h PHE 77 Cb 0.59 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2wcw h PHE 77 CO 0.03 1.05 0.00 0.41 -2.23 0.00 0.00 178.31 177.57 2wcw n GLY 78 N 1.05 0.51 3.22 2.40 0.00 -0.34 -5.09 105.19 106.93 2wcw n GLY 78 Ca -0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.12 1.28 0.02 4.61 0.00 -0.22 -4.65 121.76 120.69 2wcw s ALA 79 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.33 2wcw s ALA 79 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2wcw s ALA 79 CO 0.00 -0.10 0.73 -1.21 0.00 0.00 0.00 175.76 175.18 2wcw s GLU 80 N -3.51 4.46 -0.18 0.00 2.02 0.16 -4.37 118.70 117.29 2wcw s GLU 80 Ca 0.13 0.99 -0.20 0.00 0.02 0.00 0.00 54.97 55.91 2wcw s GLU 80 Cb 0.02 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 2wcw s GLU 80 CO -0.01 0.26 0.61 0.00 0.02 0.00 0.00 175.26 176.14 2wcw s ALA 81 N 0.05 3.51 0.03 5.21 0.00 -1.26 -1.09 121.76 128.21 2wcw s ALA 81 Ca 0.37 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2wcw s ALA 81 Cb -0.20 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2wcw s ALA 81 CO 0.21 -0.43 -0.11 0.71 0.00 0.00 0.00 175.76 176.14 2wcw s TYR 82 N 1.62 0.96 -0.23 0.00 2.02 -0.17 -1.81 117.35 119.74 2wcw s TYR 82 Ca 0.29 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 2wcw s TYR 82 Cb -0.16 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 2wcw s TYR 82 CO 0.11 -0.00 0.10 0.08 -1.57 0.00 0.00 175.55 174.27 2wcw s VAL 83 N -0.81 4.78 -0.22 0.71 1.01 -0.13 -1.15 120.40 124.58 2wcw s VAL 83 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 2wcw s VAL 83 Cb -0.07 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2wcw s VAL 83 CO 0.01 0.37 0.13 0.00 0.00 0.00 0.00 175.10 175.60 2wcw s ALA 84 N 1.10 3.57 -0.08 5.51 0.00 -0.03 -0.47 121.76 131.35 2wcw s ALA 84 Ca 0.05 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2wcw s ALA 84 Cb -0.14 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.81 2wcw s ALA 84 CO 0.04 -0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.43 2wcw s LEU 85 N 0.73 1.83 -0.19 0.00 2.96 -0.09 -0.71 118.68 123.20 2wcw s LEU 85 Ca 0.07 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2wcw s LEU 85 Cb -0.13 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2wcw s LEU 85 CO 0.02 0.08 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.30 2wcw s LYS 86 N 0.57 3.36 0.21 1.98 2.47 -0.37 -1.51 119.74 126.46 2wcw s LYS 86 Ca -0.15 -0.65 0.06 0.00 -1.56 0.00 0.00 55.97 53.67 2wcw s LYS 86 Cb -0.17 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 2wcw s LYS 86 CO 0.05 -0.07 0.16 -0.51 0.16 0.00 0.00 175.35 175.13 2wcw s LEU 87 N 1.13 3.77 0.27 5.43 1.43 -1.26 -1.63 118.68 127.83 2wcw s LEU 87 Ca 0.01 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 2wcw s LEU 87 Cb -0.14 -2.34 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 2wcw s LEU 87 CO -0.02 0.01 1.57 -2.65 0.23 0.00 0.00 176.35 175.50 2wcw n PRO 88 N -0.77 2.58 -0.80 1.29 -0.02 -1.25 -1.83 135.00 134.20 2wcw n PRO 88 Ca -0.08 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2wcw n PRO 88 Cb 0.56 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.29 -0.12 -4.18 -0.52 1.74 -1.26 -4.97 116.66 109.64 2wcw n ARG 89 Ca 0.10 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 2wcw n ARG 89 Cb 0.35 -3.50 -0.09 0.00 -1.02 0.00 0.00 32.46 28.21 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 -2.47 3.13 0.59 7.54 0.00 -0.76 -5.11 121.76 124.68 2wcw s ALA 90 Ca 0.00 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 2wcw s ALA 90 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2wcw s ALA 90 CO 0.00 0.64 1.17 0.00 0.00 0.00 0.00 175.76 177.57 2wcw s ALA 91 N -1.33 2.56 0.26 0.00 0.00 -1.26 -4.45 121.76 117.53 2wcw s ALA 91 Ca 0.24 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 2wcw s ALA 91 Cb -0.11 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 2wcw s ALA 91 CO 0.16 -1.09 1.01 0.91 0.00 0.00 0.00 175.76 176.75 2wcw n TRP 92 N -1.67 1.17 -4.88 0.00 7.02 -1.26 -4.71 117.44 113.11 2wcw n TRP 92 Ca 0.13 0.71 -0.25 0.00 -1.02 0.00 0.00 57.50 57.07 2wcw n TRP 92 Cb 0.50 -2.24 -0.15 0.00 -2.42 0.00 0.00 31.31 27.00 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 -1.27 1.49 -0.12 -0.99 3.52 -0.57 -4.45 118.95 116.55 2wcw s ARG 93 Ca 0.62 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 2wcw s ARG 93 Cb -0.74 -1.44 -0.01 0.00 -1.56 0.00 0.00 34.95 31.19 2wcw s ARG 93 CO 0.58 0.39 -0.16 -0.06 -0.81 0.00 0.00 175.30 175.25 2wcw s PHE 94 N -0.44 2.75 -0.23 5.12 0.08 0.13 -0.92 117.98 124.48 2wcw s PHE 94 Ca 0.07 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.42 2wcw s PHE 94 Cb -0.07 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2wcw s PHE 94 CO -0.01 -0.25 -0.11 -0.06 -0.10 0.00 0.00 175.22 174.70 2wcw s PHE 95 N 0.32 2.87 0.45 0.36 0.08 0.38 -0.34 117.98 122.10 2wcw s PHE 95 Ca -0.12 -1.99 -0.24 0.00 0.12 0.00 0.00 56.93 54.70 2wcw s PHE 95 Cb -0.16 -1.80 -0.09 0.00 -0.57 0.00 0.00 43.02 40.39 2wcw s PHE 95 CO 0.06 -0.82 1.09 -2.30 -0.10 0.00 0.00 175.22 173.15 2wcw n PRO 96 N 4.55 1.47 0.26 0.24 -0.02 -1.26 -0.96 135.00 139.27 2wcw n PRO 96 Ca -0.15 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 2wcw n PRO 96 Cb 0.44 -2.17 0.69 0.00 -0.02 0.00 0.00 33.50 32.44 2wcw n PRO 96 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wcw h VAL 97 N 1.55 0.82 0.00 -1.45 3.04 -1.72 -0.86 116.25 117.64 2wcw h VAL 97 Ca -0.46 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2wcw h VAL 97 Cb 1.33 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2wcw h VAL 97 CO 0.57 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 177.21 2wcw n GLN 98 N -4.10 0.08 0.10 4.17 1.13 -1.26 -2.58 117.38 114.92 2wcw n GLN 98 Ca -0.03 0.17 0.12 0.00 -1.94 0.00 0.00 57.00 55.32 2wcw n GLN 98 Cb 0.16 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.07 2wcw n GLN 98 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 2wcw h MET 99 N 0.00 0.00 -7.08 -1.09 4.05 -1.49 -3.46 114.93 105.86 2wcw h MET 99 Ca 0.00 0.00 -0.55 0.00 -0.28 0.00 0.00 59.70 58.87 2wcw h MET 99 Cb 0.27 0.00 0.14 0.00 -0.80 0.00 0.00 31.60 31.21 2wcw h MET 99 CO 0.00 0.00 0.56 -0.51 0.23 0.00 0.00 176.91 177.19 2wcw s LEU 100 N -5.07 3.72 -0.22 3.39 1.43 -1.06 -4.98 118.68 115.89 2wcw s LEU 100 Ca 0.02 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.67 2wcw s LEU 100 Cb 0.10 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 2wcw s LEU 100 CO 0.77 -1.75 0.22 -1.61 0.23 0.00 0.00 176.35 174.20 2wcw s GLU 101 N -3.13 4.12 -0.23 1.70 2.02 -0.63 -4.86 118.70 117.69 2wcw s GLU 101 Ca 0.77 -0.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.34 2wcw s GLU 101 Cb -0.38 -3.52 -0.00 0.00 0.10 0.00 0.00 34.13 30.32 2wcw s GLU 101 CO 0.43 0.08 1.25 0.50 0.02 0.00 0.00 175.26 177.54 2wcw s ARG 102 N 0.99 4.12 0.29 1.61 6.06 -1.26 -0.71 118.95 130.04 2wcw s ARG 102 Ca 0.11 1.46 0.04 0.00 -2.50 0.00 0.00 55.73 54.84 2wcw s ARG 102 Cb -0.13 -3.79 0.04 0.00 0.06 0.00 0.00 34.95 31.13 2wcw s ARG 102 CO 0.04 -0.85 0.37 0.25 -2.50 0.00 0.00 175.30 172.61 2wcw n THR 103 N 5.68 0.00 0.14 4.11 -2.24 0.76 -5.00 114.28 117.73 2wcw n THR 103 Ca 0.14 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2wcw n THR 103 Cb 0.46 -0.66 0.29 0.00 -2.10 0.00 0.00 70.33 68.32 2wcw n THR 103 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wcw h GLU 104 N 0.00 0.13 0.00 -0.78 4.39 -2.02 -3.30 114.58 113.00 2wcw h GLU 104 Ca -0.14 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2wcw h GLU 104 Cb 0.63 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2wcw h GLU 104 CO 0.21 0.49 -1.21 1.63 -1.16 0.00 0.00 179.01 178.97 2wcw n LYS 105 N -4.07 1.34 -1.24 2.33 5.02 -1.26 -5.09 118.16 115.19 2wcw n LYS 105 Ca -0.02 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2wcw n LYS 105 Cb 0.43 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2wcw n LYS 105 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wcw n ASN 106 N -1.70 0.00 -4.66 4.39 0.23 -1.24 -4.70 115.26 107.58 2wcw n ASN 106 Ca -0.00 -0.91 -0.30 0.00 -0.53 0.00 0.00 54.58 52.84 2wcw n ASN 106 Cb 0.29 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.91 2wcw n ASN 106 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2wcw s PHE 107 N -6.08 2.93 0.00 -2.53 0.08 0.41 -0.17 117.98 112.62 2wcw s PHE 107 Ca 0.00 -0.06 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 2wcw s PHE 107 Cb 0.00 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 2wcw s PHE 107 CO 0.00 0.47 0.14 -1.59 -0.10 0.00 0.00 175.22 174.14 2wcw s LYS 108 N -2.32 0.47 -0.25 0.44 -2.85 0.11 -0.37 119.74 114.97 2wcw s LYS 108 Ca 0.25 -0.37 0.02 0.00 -1.00 0.00 0.00 55.97 54.86 2wcw s LYS 108 Cb -0.11 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2wcw s LYS 108 CO 0.17 -0.11 -0.11 0.42 0.10 0.00 0.00 175.35 175.82 2wcw s ILE 109 N -1.32 2.26 0.00 3.79 1.01 0.29 -1.60 121.20 125.63 2wcw s ILE 109 Ca -0.14 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2wcw s ILE 109 Cb -0.07 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2wcw s ILE 109 CO 0.01 0.08 0.00 -0.90 0.00 0.00 0.00 174.94 174.14 2wcw n ASP 110 N 4.49 1.13 0.23 3.58 5.68 -1.26 -0.85 116.55 129.56 2wcw n ASP 110 Ca -0.15 -0.80 0.10 0.00 -0.50 0.00 0.00 54.79 53.44 2wcw n ASP 110 Cb 0.44 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.99 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 5.08 -2.00 -0.25 114.58 117.52 2wcw h GLU 111 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2wcw h GLU 111 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2wcw h GLU 111 CO 0.00 0.20 -0.96 0.66 -1.00 0.00 0.00 179.01 177.91 2wcw h SER 112 N 0.00 0.00 0.52 1.42 4.64 -2.03 -3.34 113.55 114.76 2wcw h SER 112 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 2wcw h SER 112 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2wcw h SER 112 CO 0.03 0.96 -1.37 0.58 -0.87 0.00 0.00 176.83 176.17 2wcw h VAL 113 N 0.00 1.37 -0.97 0.95 2.07 -1.73 -3.39 116.25 114.55 2wcw h VAL 113 Ca -0.01 -2.93 0.13 0.00 0.82 0.00 0.00 66.70 64.71 2wcw h VAL 113 Cb 1.73 2.92 -0.09 0.00 -1.52 0.00 0.00 31.29 34.33 2wcw h VAL 113 CO 0.13 0.86 0.59 0.22 0.02 0.00 0.00 177.57 179.39 2wcw h TYR 114 N 0.09 1.07 0.00 1.57 3.20 -1.19 0.03 116.97 121.73 2wcw h TYR 114 Ca -0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 2wcw h TYR 114 Cb 2.02 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 2wcw h TYR 114 CO 0.08 0.39 -0.12 -1.35 -1.64 0.00 0.00 178.16 175.52 2wcw h PRO 115 N 0.92 0.00 0.00 1.82 0.11 -1.75 -2.38 132.00 130.72 2wcw h PRO 115 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2wcw h PRO 115 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2wcw h PRO 115 CO -0.28 0.12 0.00 1.28 -0.21 0.00 0.00 178.00 178.90 2wcw n LEU 116 N -3.52 0.53 -4.66 2.35 4.77 -0.00 -4.84 117.00 111.64 2wcw n LEU 116 Ca -0.01 0.62 -0.29 0.00 -0.03 0.00 0.00 56.01 56.29 2wcw n LEU 116 Cb 0.26 -0.54 0.17 0.00 -2.33 0.00 0.00 43.42 40.99 2wcw n LEU 116 CO 0.30 -0.45 0.63 -0.83 -1.33 0.00 0.00 177.39 175.71 2wcw s GLY 117 N -3.43 1.60 0.03 -0.72 0.00 -0.90 -5.03 107.32 98.87 2wcw s GLY 117 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.75 2wcw s GLY 117 CO 0.39 0.48 -0.05 1.08 0.00 0.00 0.00 173.10 175.00 2wcw s LEU 118 N -6.51 3.25 0.63 0.66 1.43 0.54 -4.84 118.68 113.85 2wcw s LEU 118 Ca 0.65 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 2wcw s LEU 118 Cb -0.20 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2wcw s LEU 118 CO 0.59 0.25 1.02 -1.61 0.23 0.00 0.00 176.35 176.82 2wcw s GLU 119 N -1.70 3.26 0.34 1.70 0.41 -1.26 0.21 118.70 121.65 2wcw s GLU 119 Ca 0.20 0.52 0.02 0.00 -0.41 0.00 0.00 54.97 55.30 2wcw s GLU 119 Cb -0.11 -2.11 0.59 0.00 -1.78 0.00 0.00 34.13 30.72 2wcw s GLU 119 CO 0.11 -0.72 1.93 0.97 -0.49 0.00 0.00 175.26 177.06 2wcw h ILE 120 N -0.37 1.18 -0.24 -1.63 2.10 -1.99 -1.27 117.51 115.29 2wcw h ILE 120 Ca -0.45 -0.55 0.03 0.00 1.08 0.00 0.00 64.86 64.97 2wcw h ILE 120 Cb 1.22 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 2wcw h ILE 120 CO 0.62 0.22 0.16 0.00 -1.08 0.00 0.00 178.15 178.08 2wcw h ALA 121 N 1.52 1.96 0.00 0.18 0.00 -1.98 -1.02 119.26 119.93 2wcw h ALA 121 Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2wcw h ALA 121 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wcw h ALA 121 CO -0.02 0.01 -0.65 0.93 0.00 0.00 0.00 179.25 179.52 2wcw h GLU 122 N 0.22 0.00 0.00 0.00 5.08 -1.57 -1.51 114.58 116.80 2wcw h GLU 122 Ca 0.10 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 2wcw h GLU 122 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2wcw h GLU 122 CO -0.02 0.65 -0.97 0.28 -1.00 0.00 0.00 179.01 177.95 2wcw h VAL 123 N 0.00 1.37 0.00 3.13 2.07 -1.16 -3.33 116.25 118.33 2wcw h VAL 123 Ca -0.01 -2.39 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 2wcw h VAL 123 Cb 1.34 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 2wcw h VAL 123 CO 0.08 0.72 -0.40 0.00 0.02 0.00 0.00 177.57 177.99 2wcw h ALA 124 N 0.65 0.80 0.00 1.67 0.00 -1.08 -3.51 119.26 117.79 2wcw h ALA 124 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wcw h ALA 124 Cb 1.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2wcw h ALA 124 CO 0.17 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.09