#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n LEU 3 N 0.00 0.48 -3.62 2.45 7.94 -1.26 -4.94 117.00 118.05 2wdi n LEU 3 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2wdi n LEU 3 Cb 0.00 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.50 2wdi n LEU 3 CO 0.00 -0.46 0.53 1.51 -1.11 0.00 0.00 177.39 177.87 2wdi s ASP 4 N -2.06 -0.64 0.19 1.96 -4.77 -1.26 -5.04 116.67 105.05 2wdi s ASP 4 Ca 0.00 1.19 -0.05 0.00 -3.30 0.00 0.00 52.55 50.39 2wdi s ASP 4 Cb 0.00 1.19 0.02 0.00 -1.09 0.00 0.00 42.92 43.04 2wdi s ASP 4 CO 0.00 -0.24 0.34 1.33 0.70 0.00 0.00 175.17 177.30 2wdi n VAL 5 N 2.37 0.00 0.36 2.11 0.24 -1.26 -5.05 118.33 117.11 2wdi n VAL 5 Ca -0.14 -0.63 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 2wdi n VAL 5 Cb 0.55 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 2wdi n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdi h ALA 6 N 1.91 -1.24 -0.68 2.33 0.00 -1.99 -2.44 119.26 117.15 2wdi h ALA 6 Ca -0.16 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.68 2wdi h ALA 6 Cb 0.61 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2wdi h ALA 6 CO 0.20 -1.18 0.46 -0.07 0.00 0.00 0.00 179.25 178.66 2wdi h LEU 7 N -0.93 0.37 0.21 0.00 3.38 -1.97 0.85 115.31 117.22 2wdi h LEU 7 Ca -0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wdi h LEU 7 Cb 0.72 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2wdi h LEU 7 CO 0.15 0.21 -0.31 0.11 0.09 0.00 0.00 178.44 178.68 2wdi h LYS 8 N 0.40 -0.57 0.00 1.13 1.57 -1.91 -1.24 116.57 115.96 2wdi h LYS 8 Ca 0.33 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2wdi h LYS 8 Cb 0.72 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2wdi h LYS 8 CO -0.10 -0.38 0.00 0.54 -0.57 0.00 0.00 179.45 178.95 2wdi n ARG 9 N -5.42 0.00 -0.10 3.15 1.74 -0.05 -2.17 116.66 113.81 2wdi n ARG 9 Ca -0.08 0.22 0.05 0.00 -0.77 0.00 0.00 57.85 57.27 2wdi n ARG 9 Cb 0.33 -1.08 0.10 0.00 -1.02 0.00 0.00 32.46 30.79 2wdi n ARG 9 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wdi n LYS 10 N -0.89 -0.02 0.41 5.56 3.00 0.09 0.19 118.16 126.49 2wdi n LYS 10 Ca 0.00 0.45 -0.16 0.00 -0.00 0.00 0.00 58.31 58.60 2wdi n LYS 10 Cb 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 35.03 34.23 2wdi n LYS 10 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2wdi h TYR 11 N 0.00 -0.97 -0.86 5.64 3.20 -1.08 -2.81 116.97 120.09 2wdi h TYR 11 Ca 0.19 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.12 2wdi h TYR 11 Cb 0.41 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 2wdi h TYR 11 CO -0.14 -0.60 0.56 1.88 -1.64 0.00 0.00 178.16 178.22 2wdi h TYR 12 N -1.15 0.93 -2.30 -3.82 0.99 0.26 0.72 116.97 112.62 2wdi h TYR 12 Ca -0.11 0.02 -0.65 0.00 2.00 0.00 0.00 58.73 60.00 2wdi h TYR 12 Cb 0.80 -0.30 -0.38 0.00 1.00 0.00 0.00 36.73 37.84 2wdi h TYR 12 CO 0.03 0.45 -0.23 -0.85 -0.00 0.00 0.00 178.16 177.56 2wdi n GLU 13 N -4.51 3.66 0.00 4.88 0.28 0.28 -4.65 120.64 120.58 2wdi n GLU 13 Ca 0.14 -4.79 0.00 0.00 -0.16 0.00 0.00 57.16 52.35 2wdi n GLU 13 Cb 0.27 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 30.84 2wdi n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2wdi n GLU 14 N 0.01 0.00 0.08 3.44 2.13 -1.19 -4.75 120.64 120.36 2wdi n GLU 14 Ca 0.34 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.03 2wdi n GLU 14 Cb 0.36 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.99 2wdi n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wdi h VAL 15 N 0.00 0.97 -0.90 6.31 2.07 -1.35 -0.63 116.25 122.72 2wdi h VAL 15 Ca 0.00 -0.73 0.24 0.00 0.82 0.00 0.00 66.70 67.03 2wdi h VAL 15 Cb 0.00 1.40 -0.16 0.00 -1.52 0.00 0.00 31.29 31.01 2wdi h VAL 15 CO 0.00 0.17 0.10 -0.09 0.02 0.00 0.00 177.57 177.77 2wdi h ARG 16 N -0.58 0.09 0.06 1.57 1.12 0.24 -2.49 114.38 114.39 2wdi h ARG 16 Ca -0.02 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 58.63 2wdi h ARG 16 Cb 0.44 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 2wdi h ARG 16 CO 0.04 0.06 -1.10 -1.00 -3.11 0.00 0.00 179.97 174.85 2wdi h PRO 17 N 0.09 0.14 -1.22 0.20 0.13 -1.77 -3.31 132.00 126.26 2wdi h PRO 17 Ca 0.55 -0.23 0.38 0.00 -0.87 0.00 0.00 66.00 65.83 2wdi h PRO 17 Cb 1.11 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2wdi h PRO 17 CO -0.78 1.11 0.78 1.49 -0.23 0.00 0.00 178.00 180.37 2wdi h GLU 18 N -0.61 0.18 -0.12 0.86 4.57 -0.85 2.23 114.58 120.84 2wdi h GLU 18 Ca -0.26 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.76 2wdi h GLU 18 Cb 1.50 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2wdi h GLU 18 CO -0.02 0.12 -0.60 -0.07 -1.18 0.00 0.00 179.01 177.26 2wdi h LEU 19 N 0.18 0.44 -1.26 1.64 3.38 -1.60 0.61 115.31 118.71 2wdi h LEU 19 Ca 0.75 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 2wdi h LEU 19 Cb 2.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2wdi h LEU 19 CO -0.40 0.93 0.06 0.40 0.09 0.00 0.00 178.44 179.53 2wdi h ILE 20 N 0.29 1.19 0.00 1.22 2.04 0.35 -1.52 117.51 121.07 2wdi h ILE 20 Ca -0.00 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 2wdi h ILE 20 Cb 1.13 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2wdi h ILE 20 CO 0.10 0.25 -0.39 -0.09 0.00 0.00 0.00 178.15 178.02 2wdi h ARG 21 N 0.55 0.00 0.00 2.37 1.12 0.02 -1.99 114.38 116.46 2wdi h ARG 21 Ca 0.12 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.95 2wdi h ARG 21 Cb 0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2wdi h ARG 21 CO 0.00 0.39 -0.57 0.00 -3.11 0.00 0.00 179.97 176.69 2wdi h ARG 22 N 0.00 0.00 -0.01 0.20 3.08 0.06 -3.40 114.38 114.31 2wdi h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdi h ARG 22 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2wdi h ARG 22 CO 0.05 0.22 -0.48 1.19 -1.07 0.00 0.00 179.97 179.88 2wdi n PHE 23 N -4.60 0.00 -2.93 3.04 3.01 -0.75 -5.01 117.46 110.22 2wdi n PHE 23 Ca -0.11 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.30 2wdi n PHE 23 Cb 0.31 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 39.74 2wdi n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wdi n GLY 24 N 1.41 -1.02 0.00 1.37 0.00 -0.75 -5.03 105.19 101.17 2wdi n GLY 24 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2wdi n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdi n TYR 25 N -2.24 -0.87 0.00 1.61 4.01 -1.22 -5.05 117.16 113.40 2wdi n TYR 25 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2wdi n TYR 25 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2wdi n TYR 25 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2wdi n GLN 26 N -0.22 0.00 0.00 -0.72 1.13 -1.26 -4.94 117.38 111.37 2wdi n GLN 26 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2wdi n GLN 26 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2wdi n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wdi n ASN 27 N 0.00 0.21 0.00 1.08 3.02 -1.26 -4.79 115.26 113.52 2wdi n ASN 27 Ca 0.00 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2wdi n ASN 27 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2wdi n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wdi n VAL 28 N 0.68 0.00 0.19 2.41 0.31 -1.26 -3.88 118.33 116.77 2wdi n VAL 28 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 2wdi n VAL 28 Cb 0.04 0.00 0.57 0.00 -0.91 0.00 0.00 33.84 33.54 2wdi n VAL 28 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2wdi h TRP 29 N 0.00 0.00 0.00 3.52 4.06 -1.98 1.12 115.95 122.67 2wdi h TRP 29 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wdi h TRP 29 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2wdi h TRP 29 CO 0.00 0.00 0.00 -1.91 -3.56 0.00 0.00 178.44 172.97 2wdi n GLU 30 N -2.28 0.84 -3.62 0.49 2.13 -1.25 -4.76 120.64 112.19 2wdi n GLU 30 Ca -0.01 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.61 2wdi n GLU 30 Cb 0.16 -1.42 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 2wdi n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wdi s VAL 31 N -2.00 3.95 0.74 6.31 0.11 0.39 -4.82 120.40 125.08 2wdi s VAL 31 Ca 0.34 -1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.15 2wdi s VAL 31 Cb 0.15 -3.35 0.04 0.00 -1.53 0.00 0.00 36.38 31.69 2wdi s VAL 31 CO 0.26 -0.17 1.08 -2.84 -3.33 0.00 0.00 175.10 170.10 2wdi s PRO 32 N -4.10 2.51 0.38 1.54 0.02 -1.26 -4.76 135.00 129.33 2wdi s PRO 32 Ca 0.43 1.11 -0.13 0.00 0.02 0.00 0.00 61.00 62.43 2wdi s PRO 32 Cb -0.08 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.55 2wdi s PRO 32 CO 0.29 -1.44 0.74 1.03 -0.33 0.00 0.00 177.00 177.29 2wdi s ARG 33 N -4.89 2.19 -0.37 5.54 0.52 -1.26 -4.95 118.95 115.73 2wdi s ARG 33 Ca 0.60 -1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2wdi s ARG 33 Cb -0.16 0.59 0.10 0.00 0.52 0.00 0.00 34.95 36.00 2wdi s ARG 33 CO 0.55 -1.01 0.13 -0.51 0.02 0.00 0.00 175.30 174.47 2wdi s LEU 34 N -3.11 4.87 0.01 2.53 1.43 -1.26 -3.59 118.68 119.57 2wdi s LEU 34 Ca 0.18 -1.92 -0.24 0.00 -1.03 0.00 0.00 54.13 51.12 2wdi s LEU 34 Cb -0.04 -1.76 -0.14 0.00 0.03 0.00 0.00 46.19 44.29 2wdi s LEU 34 CO 0.13 -0.45 1.09 -0.33 0.23 0.00 0.00 176.35 177.03 2wdi h GLU 35 N 7.93 -0.85 -2.50 1.70 5.08 -1.87 -3.45 114.58 120.62 2wdi h GLU 35 Ca -0.12 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2wdi h GLU 35 Cb 1.04 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 2wdi h GLU 35 CO 0.62 -0.57 0.20 -1.59 -1.00 0.00 0.00 179.01 176.68 2wdi s LYS 36 N -4.51 1.17 -0.37 2.33 -2.85 -1.25 -4.56 119.74 109.70 2wdi s LYS 36 Ca -0.13 -0.10 0.03 0.00 -1.00 0.00 0.00 55.97 54.77 2wdi s LYS 36 Cb 0.01 0.54 0.11 0.00 -2.06 0.00 0.00 37.83 36.43 2wdi s LYS 36 CO 0.39 -0.44 0.10 0.08 0.10 0.00 0.00 175.35 175.57 2wdi s VAL 37 N -2.47 2.10 -0.26 1.79 1.01 -0.69 -0.41 120.40 121.48 2wdi s VAL 37 Ca -0.05 -2.40 -0.18 0.00 0.00 0.00 0.00 61.98 59.35 2wdi s VAL 37 Cb -0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2wdi s VAL 37 CO -0.01 -0.66 0.54 -0.69 0.00 0.00 0.00 175.10 174.27 2wdi s VAL 38 N 0.77 5.05 -0.10 2.92 1.01 -0.30 -2.51 120.40 127.24 2wdi s VAL 38 Ca 0.12 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 2wdi s VAL 38 Cb -0.20 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2wdi s VAL 38 CO -0.09 0.06 -0.04 -0.51 0.00 0.00 0.00 175.10 174.53 2wdi s ILE 39 N 2.35 3.94 0.11 2.22 1.10 -0.66 -1.46 121.20 128.80 2wdi s ILE 39 Ca 0.22 -0.37 -0.04 0.00 -0.51 0.00 0.00 60.65 59.95 2wdi s ILE 39 Cb -0.16 -2.66 -0.03 0.00 0.15 0.00 0.00 42.46 39.76 2wdi s ILE 39 CO 0.09 0.56 0.10 0.21 -2.11 0.00 0.00 174.94 173.80 2wdi s ASN 40 N -0.42 0.27 -0.05 4.50 3.84 -1.24 0.30 114.94 122.15 2wdi s ASN 40 Ca 0.07 -0.98 0.02 0.00 0.21 0.00 0.00 52.86 52.19 2wdi s ASN 40 Cb -0.12 0.31 0.01 0.00 -0.55 0.00 0.00 41.25 40.89 2wdi s ASN 40 CO 0.02 -0.73 -0.10 -1.10 -2.79 0.00 0.00 177.10 172.40 2wdi s GLN 41 N -3.96 1.34 -0.01 0.43 -0.21 0.94 -0.75 119.66 117.44 2wdi s GLN 41 Ca 0.14 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 2wdi s GLN 41 Cb 0.06 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.89 2wdi s GLN 41 CO -0.04 0.05 0.19 0.78 -2.12 0.00 0.00 175.29 174.15 2wdi h GLY 42 N 6.78 -0.05 0.00 3.09 0.00 -1.85 -2.51 103.07 108.53 2wdi h GLY 42 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2wdi h GLY 42 CO 0.48 -0.02 0.00 1.04 0.00 0.00 0.00 176.54 178.04 2wdi n LEU 43 N -2.54 0.00 0.00 3.11 7.99 -1.26 -4.21 117.00 120.09 2wdi n LEU 43 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2wdi n LEU 43 Cb 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 2wdi n LEU 43 CO 0.01 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.50 2wdi n GLY 44 N 0.00 0.90 3.57 -0.72 0.00 -1.26 -5.06 105.19 102.62 2wdi n GLY 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wdi n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdi s GLU 45 N 0.00 2.59 0.00 1.61 0.41 -1.26 -4.10 118.70 117.95 2wdi s GLU 45 Ca 0.00 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2wdi s GLU 45 Cb 0.00 -5.17 0.00 0.00 -1.78 0.00 0.00 34.13 27.18 2wdi s GLU 45 CO 0.00 -3.62 0.51 0.00 -0.49 0.00 0.00 175.26 171.66 2wdi n ALA 46 N 13.89 1.88 -1.00 5.21 0.00 -1.26 -4.87 120.51 134.35 2wdi n ALA 46 Ca 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2wdi n ALA 46 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2wdi n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdi n LYS 47 N 0.00 3.58 0.00 0.00 4.76 -1.26 -4.84 118.16 120.40 2wdi n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdi n LYS 47 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2wdi n LYS 47 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdi n GLU 48 N 0.00 -0.20 -3.74 1.97 4.71 -1.26 -4.35 120.64 117.77 2wdi n GLU 48 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 2wdi n GLU 48 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.47 2wdi n GLU 48 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2wdi n ASP 49 N -1.86 -4.95 -2.88 1.62 2.03 -1.26 -3.85 116.55 105.40 2wdi n ASP 49 Ca 0.00 -1.05 -0.29 0.00 0.52 0.00 0.00 54.79 53.97 2wdi n ASP 49 Cb 0.00 -3.17 0.03 0.00 -0.72 0.00 0.00 41.12 37.25 2wdi n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wdi n ALA 50 N -4.30 -1.95 -1.84 -1.67 0.00 -1.26 -4.75 120.51 104.74 2wdi n ALA 50 Ca -0.10 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2wdi n ALA 50 Cb 0.59 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2wdi n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdi n ARG 51 N -0.12 2.63 0.00 0.00 5.12 -1.25 -4.76 116.66 118.28 2wdi n ARG 51 Ca -0.07 -2.61 0.00 0.00 -1.93 0.00 0.00 57.85 53.24 2wdi n ARG 51 Cb 0.51 -3.30 0.00 0.00 -1.16 0.00 0.00 32.46 28.51 2wdi n ARG 51 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2wdi n ILE 52 N 5.70 0.00 -3.71 0.55 2.08 -1.26 -4.88 119.36 117.84 2wdi n ILE 52 Ca 0.51 1.12 -0.23 0.00 0.56 0.00 0.00 62.75 64.70 2wdi n ILE 52 Cb 0.41 -2.12 0.03 0.00 -0.75 0.00 0.00 39.64 37.21 2wdi n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wdi n LEU 53 N -0.86 -3.09 0.02 1.39 7.99 -1.26 -4.82 117.00 116.39 2wdi n LEU 53 Ca 0.00 -0.88 0.11 0.00 -0.01 0.00 0.00 56.01 55.23 2wdi n LEU 53 Cb 0.00 -2.58 -0.12 0.00 -0.11 0.00 0.00 43.42 40.61 2wdi n LEU 53 CO 0.00 0.40 -0.52 -0.62 -1.51 0.00 0.00 177.39 175.14 2wdi n GLU 54 N -4.21 0.64 0.00 3.23 -0.58 -1.26 -3.98 120.64 114.49 2wdi n GLU 54 Ca -0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 2wdi n GLU 54 Cb 0.66 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2wdi n GLU 54 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2wdi n LYS 55 N -2.38 0.00 0.03 3.49 0.00 -1.26 0.17 118.16 118.21 2wdi n LYS 55 Ca -0.03 0.53 0.02 0.00 0.00 0.00 0.00 58.31 58.82 2wdi n LYS 55 Cb 0.56 -1.24 0.08 0.00 0.00 0.00 0.00 35.03 34.43 2wdi n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdi n ALA 56 N -1.65 0.81 -0.06 3.14 0.00 -1.26 0.65 120.51 122.14 2wdi n ALA 56 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 2wdi n ALA 56 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2wdi n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi h ALA 57 N 1.61 0.03 0.10 0.00 0.00 -0.27 -3.11 119.26 117.62 2wdi h ALA 57 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.32 2wdi h ALA 57 Cb 0.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wdi h ALA 57 CO 0.00 0.18 -1.18 -0.56 0.00 0.00 0.00 179.25 177.69 2wdi h GLN 58 N -1.00 0.25 0.04 0.00 3.07 0.25 -3.00 115.11 114.72 2wdi h GLN 58 Ca -0.03 -0.41 0.03 0.00 0.09 0.00 0.00 58.65 58.32 2wdi h GLN 58 Cb 0.44 0.15 -0.05 0.00 0.08 0.00 0.00 27.48 28.10 2wdi h GLN 58 CO -0.02 1.18 -0.34 1.49 0.09 0.00 0.00 178.83 181.23 2wdi h GLU 59 N 0.08 -0.50 -0.68 0.06 4.81 0.07 -0.85 114.58 117.57 2wdi h GLU 59 Ca -0.11 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 2wdi h GLU 59 Cb 1.90 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 31.28 2wdi h GLU 59 CO 0.19 -0.33 -0.37 1.25 -0.73 0.00 0.00 179.01 179.01 2wdi h LEU 60 N -0.52 -1.31 -1.07 1.64 7.12 -1.58 0.49 115.31 120.08 2wdi h LEU 60 Ca 0.05 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.31 2wdi h LEU 60 Cb 0.59 0.64 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2wdi h LEU 60 CO -0.26 -0.31 0.46 0.00 -0.13 0.00 0.00 178.44 178.20 2wdi h ALA 61 N 0.99 1.39 0.13 1.25 0.00 -1.01 -0.16 119.26 121.84 2wdi h ALA 61 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 2wdi h ALA 61 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wdi h ALA 61 CO -0.75 -0.39 -1.35 -0.07 0.00 0.00 0.00 179.25 176.69 2wdi h LEU 62 N 0.00 0.42 -0.40 0.00 4.07 -0.71 0.70 115.31 119.38 2wdi h LEU 62 Ca 0.00 -0.49 -0.09 0.00 0.08 0.00 0.00 57.88 57.39 2wdi h LEU 62 Cb 0.91 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 2wdi h LEU 62 CO 0.00 1.39 -0.41 0.16 -1.08 0.00 0.00 178.44 178.50 2wdi h ILE 63 N 0.07 0.78 0.00 1.22 3.07 -1.11 -3.39 117.51 118.16 2wdi h ILE 63 Ca -0.17 -1.83 0.00 0.00 1.55 0.00 0.00 64.86 64.41 2wdi h ILE 63 Cb 1.99 2.19 0.00 0.00 -0.27 0.00 0.00 36.82 40.73 2wdi h ILE 63 CO 0.19 0.40 -0.74 1.07 -1.05 0.00 0.00 178.15 178.02 2wdi n THR 64 N -3.31 1.42 0.00 0.16 5.66 -1.06 -4.85 114.28 112.30 2wdi n THR 64 Ca 0.01 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 2wdi n THR 64 Cb 0.63 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.26 2wdi n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdi n GLY 65 N 1.99 1.21 3.60 1.09 0.00 0.24 -4.93 105.19 108.38 2wdi n GLY 65 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2wdi n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdi s GLN 66 N -0.15 0.53 0.23 1.61 -0.21 -1.22 -5.05 119.66 115.40 2wdi s GLN 66 Ca 0.00 1.22 -0.32 0.00 0.02 0.00 0.00 55.36 56.28 2wdi s GLN 66 Cb 0.00 0.60 -0.13 0.00 1.00 0.00 0.00 33.01 34.48 2wdi s GLN 66 CO 0.00 -0.16 1.53 1.63 -2.12 0.00 0.00 175.29 176.16 2wdi n LYS 67 N 5.03 2.29 -2.41 2.91 5.02 -1.26 -4.48 118.16 125.26 2wdi n LYS 67 Ca -0.13 0.82 -0.27 0.00 -2.02 0.00 0.00 58.31 56.71 2wdi n LYS 67 Cb 0.52 -2.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.00 2wdi n LYS 67 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2wdi s PRO 68 N 0.08 3.04 0.79 1.97 0.02 -1.26 -4.95 135.00 134.69 2wdi s PRO 68 Ca 0.71 0.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.67 2wdi s PRO 68 Cb -0.61 -2.28 0.07 0.00 0.02 0.00 0.00 34.50 31.70 2wdi s PRO 68 CO 0.44 -0.62 1.09 0.00 -0.33 0.00 0.00 177.00 177.59 2wdi s ALA 69 N -2.96 2.24 -0.64 -1.55 0.00 0.50 -4.86 121.76 114.49 2wdi s ALA 69 Ca 0.53 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.38 2wdi s ALA 69 Cb -0.11 -3.12 0.16 0.00 0.00 0.00 0.00 23.12 20.05 2wdi s ALA 69 CO 0.45 -1.72 0.44 0.14 0.00 0.00 0.00 175.76 175.07 2wdi s VAL 70 N -3.12 2.51 0.34 0.00 -7.23 -1.26 -2.94 120.40 108.69 2wdi s VAL 70 Ca 0.61 -3.91 -0.28 0.00 -1.81 0.00 0.00 61.98 56.59 2wdi s VAL 70 Cb -0.15 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 2wdi s VAL 70 CO 0.55 -1.00 1.20 0.42 -0.31 0.00 0.00 175.10 175.96 2wdi s THR 71 N -1.06 3.08 0.30 5.32 -4.23 0.20 -4.92 115.64 114.32 2wdi s THR 71 Ca 0.24 1.04 0.08 0.00 -1.18 0.00 0.00 61.69 61.87 2wdi s THR 71 Cb -0.07 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2wdi s THR 71 CO -0.14 0.21 0.11 -0.13 -0.54 0.00 0.00 174.62 174.12 2wdi s ARG 72 N -1.83 2.45 0.85 3.99 0.52 -1.26 -2.66 118.95 121.01 2wdi s ARG 72 Ca 0.50 -1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.18 2wdi s ARG 72 Cb -0.35 -2.25 0.08 0.00 0.52 0.00 0.00 34.95 32.96 2wdi s ARG 72 CO 0.45 0.25 1.01 0.00 0.02 0.00 0.00 175.30 177.03 2wdi n ALA 73 N -1.07 -0.77 -0.00 2.13 0.00 -1.01 -4.98 120.51 114.81 2wdi n ALA 73 Ca -0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 53.44 52.96 2wdi n ALA 73 Cb 0.60 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.91 2wdi n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdi n LYS 74 N -3.09 0.03 -0.38 0.00 5.02 -1.26 -4.43 118.16 114.03 2wdi n LYS 74 Ca 0.12 0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2wdi n LYS 74 Cb 0.51 -0.28 0.05 0.00 -0.02 0.00 0.00 35.03 35.29 2wdi n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdi n LYS 75 N -2.67 -0.49 -3.63 1.97 5.02 -1.26 -4.54 118.16 112.55 2wdi n LYS 75 Ca -0.01 -0.44 -0.24 0.00 -2.02 0.00 0.00 58.31 55.61 2wdi n LYS 75 Cb 0.03 -0.31 -0.17 0.00 -0.02 0.00 0.00 35.03 34.55 2wdi n LYS 75 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wdi s SER 76 N -2.08 1.93 -0.26 4.39 1.04 -1.26 -2.04 113.70 115.42 2wdi s SER 76 Ca 0.16 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 2wdi s SER 76 Cb -0.01 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2wdi s SER 76 CO 0.12 -0.31 0.05 -0.63 0.98 0.00 0.00 173.24 173.45 2wdi s ILE 77 N 2.15 4.07 0.36 -1.02 -1.09 -1.26 -4.79 121.20 119.61 2wdi s ILE 77 Ca 0.03 -0.36 0.14 0.00 -2.23 0.00 0.00 60.65 58.23 2wdi s ILE 77 Cb -0.15 -2.95 0.11 0.00 -1.58 0.00 0.00 42.46 37.90 2wdi s ILE 77 CO -0.07 0.28 1.84 -1.28 -1.23 0.00 0.00 174.94 174.48 2wdi h SER 78 N 8.22 0.00 0.00 3.58 0.87 -1.95 -3.05 113.55 121.23 2wdi h SER 78 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2wdi h SER 78 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2wdi h SER 78 CO 0.59 0.35 0.05 0.59 -0.53 0.00 0.00 176.83 177.88 2wdi n ASN 79 N -4.02 0.00 -2.81 6.23 4.13 -1.26 -3.67 115.26 113.85 2wdi n ASN 79 Ca -0.02 0.15 0.01 0.00 1.68 0.00 0.00 54.58 56.39 2wdi n ASN 79 Cb 0.40 -0.15 0.01 0.00 -1.54 0.00 0.00 39.78 38.50 2wdi n ASN 79 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2wdi s PHE 80 N -2.14 -0.59 0.00 3.10 2.19 -1.15 -5.16 117.98 114.23 2wdi s PHE 80 Ca 0.00 0.03 0.00 0.00 0.33 0.00 0.00 56.93 57.29 2wdi s PHE 80 Cb 0.00 0.11 0.00 0.00 -1.31 0.00 0.00 43.02 41.82 2wdi s PHE 80 CO 0.00 -0.41 0.00 1.63 1.83 0.00 0.00 175.22 178.27 2wdi n LYS 81 N 3.56 0.00 0.00 10.12 5.02 -1.24 -4.75 118.16 130.86 2wdi n LYS 81 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wdi n LYS 81 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 2wdi n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wdi n LEU 82 N 0.00 0.00 -3.98 -0.35 4.77 -1.26 -4.62 117.00 111.55 2wdi n LEU 82 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2wdi n LEU 82 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2wdi n LEU 82 CO 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 175.96 2wdi s ARG 83 N 0.00 1.03 0.00 3.23 1.04 -1.26 -4.62 118.95 118.37 2wdi s ARG 83 Ca 0.00 -1.19 0.00 0.00 -1.04 0.00 0.00 55.73 53.50 2wdi s ARG 83 Cb 0.00 0.34 0.00 0.00 -2.04 0.00 0.00 34.95 33.25 2wdi s ARG 83 CO 0.00 -0.35 0.00 1.63 -0.04 0.00 0.00 175.30 176.54 2wdi n LYS 84 N -0.15 0.00 0.00 3.89 5.02 -0.87 -4.83 118.16 121.22 2wdi n LYS 84 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2wdi n LYS 84 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 2wdi n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 85 N 0.00 4.91 0.00 0.72 0.00 -1.26 -4.54 105.19 105.02 2wdi n GLY 85 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wdi n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdi n MET 86 N 0.00 0.00 0.00 1.61 2.81 -1.26 -2.41 117.12 117.87 2wdi n MET 86 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wdi n MET 86 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2wdi n MET 86 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2wdi n PRO 87 N 0.00 0.00 -4.08 0.03 -0.02 -1.26 -4.36 135.00 125.31 2wdi n PRO 87 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 2wdi n PRO 87 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 2wdi n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2wdi s ILE 88 N 0.00 4.96 0.00 4.25 1.10 -1.26 -4.76 121.20 125.48 2wdi s ILE 88 Ca 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.03 2wdi s ILE 88 Cb 0.00 -3.18 0.00 0.00 0.15 0.00 0.00 42.46 39.43 2wdi s ILE 88 CO 0.00 0.52 0.00 0.61 -2.11 0.00 0.00 174.94 173.96 2wdi n GLY 89 N 1.74 1.46 3.12 1.50 0.00 -1.09 -4.62 105.19 107.29 2wdi n GLY 89 Ca -0.17 0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2wdi n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdi s LEU 90 N 0.00 2.01 -0.00 0.99 1.43 -0.95 0.58 118.68 122.74 2wdi s LEU 90 Ca 0.00 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2wdi s LEU 90 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2wdi s LEU 90 CO 0.00 0.02 0.13 -0.60 0.23 0.00 0.00 176.35 176.14 2wdi s ARG 91 N 1.11 0.45 -0.06 1.70 3.00 -1.15 0.32 118.95 124.31 2wdi s ARG 91 Ca -0.01 -0.34 -0.04 0.00 -1.00 0.00 0.00 55.73 54.33 2wdi s ARG 91 Cb -0.14 0.19 0.03 0.00 0.00 0.00 0.00 34.95 35.02 2wdi s ARG 91 CO -0.07 -0.10 0.16 0.54 0.00 0.00 0.00 175.30 175.82 2wdi s VAL 92 N -1.24 -0.02 -0.03 7.11 0.11 0.15 0.19 120.40 126.66 2wdi s VAL 92 Ca -0.13 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 2wdi s VAL 92 Cb -0.07 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 2wdi s VAL 92 CO 0.01 0.03 0.46 -0.89 -3.33 0.00 0.00 175.10 171.38 2wdi s THR 93 N 0.58 5.04 -0.10 5.04 2.01 -1.26 -1.65 115.64 125.29 2wdi s THR 93 Ca -0.04 0.93 0.04 0.00 0.31 0.00 0.00 61.69 62.93 2wdi s THR 93 Cb -0.06 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2wdi s THR 93 CO -0.03 0.49 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.39 2wdi s LEU 94 N -0.48 2.08 -0.01 4.42 1.43 -1.05 -5.01 118.68 120.07 2wdi s LEU 94 Ca 0.25 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2wdi s LEU 94 Cb -0.17 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2wdi s LEU 94 CO 0.13 0.15 0.00 -0.13 0.23 0.00 0.00 176.35 176.73 2wdi s ARG 95 N 0.37 0.06 0.14 1.70 0.52 -1.26 -1.70 118.95 118.78 2wdi s ARG 95 Ca -0.18 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2wdi s ARG 95 Cb -0.18 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.13 2wdi s ARG 95 CO 0.08 -0.05 0.00 0.54 0.02 0.00 0.00 175.30 175.90 2wdi n ARG 96 N 3.47 -1.05 0.00 3.54 1.74 -1.26 -4.01 116.66 119.09 2wdi n ARG 96 Ca -0.18 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2wdi n ARG 96 Cb 0.56 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 2wdi n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wdi n ASP 97 N -4.32 0.00 -0.40 0.55 8.00 -1.26 0.16 116.55 119.27 2wdi n ASP 97 Ca -0.00 0.00 0.34 0.00 0.71 0.00 0.00 54.79 55.84 2wdi n ASP 97 Cb 0.56 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.23 2wdi n ASP 97 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wdi n ARG 98 N 0.00 -0.03 0.15 -1.24 5.12 -1.26 -0.41 116.66 118.99 2wdi n ARG 98 Ca 0.00 1.03 -0.10 0.00 -1.93 0.00 0.00 57.85 56.85 2wdi n ARG 98 Cb 0.00 -2.05 -0.06 0.00 -1.16 0.00 0.00 32.46 29.19 2wdi n ARG 98 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 2wdi h MET 99 N 0.00 -0.43 -0.49 5.56 1.85 0.14 -3.26 114.93 118.30 2wdi h MET 99 Ca 0.73 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.94 2wdi h MET 99 Cb 2.40 0.10 -0.07 0.00 0.43 0.00 0.00 31.60 34.45 2wdi h MET 99 CO -0.36 -0.14 0.07 -1.49 -0.40 0.00 0.00 176.91 174.58 2wdi h TRP 100 N -1.01 0.10 -0.07 1.39 4.06 -0.88 -1.34 115.95 118.21 2wdi h TRP 100 Ca -0.05 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.96 2wdi h TRP 100 Cb 0.48 0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 2wdi h TRP 100 CO 0.03 -0.04 0.13 0.97 -3.56 0.00 0.00 178.44 175.97 2wdi h ILE 101 N 0.20 0.25 0.08 1.49 -0.00 -1.57 0.64 117.51 118.60 2wdi h ILE 101 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 65.10 2wdi h ILE 101 Cb 0.34 0.88 0.00 0.00 -0.00 0.00 0.00 36.82 38.05 2wdi h ILE 101 CO -0.35 0.00 -0.04 0.15 -0.00 0.00 0.00 178.15 177.91 2wdi h PHE 102 N 0.00 -0.10 -1.10 2.19 -0.00 -1.29 -3.26 116.94 113.38 2wdi h PHE 102 Ca 0.03 -0.00 0.30 0.00 -0.00 0.00 0.00 57.97 58.30 2wdi h PHE 102 Cb 0.29 0.03 -0.10 0.00 -0.00 0.00 0.00 35.95 36.18 2wdi h PHE 102 CO 0.00 -0.06 0.71 -0.07 -0.00 0.00 0.00 178.31 178.89 2wdi h LEU 103 N -0.70 0.38 -0.75 0.59 3.38 -1.14 0.48 115.31 117.55 2wdi h LEU 103 Ca -0.01 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2wdi h LEU 103 Cb 0.08 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2wdi h LEU 103 CO 0.02 0.03 0.43 -0.08 0.09 0.00 0.00 178.44 178.92 2wdi h GLU 104 N 0.31 0.74 0.13 1.13 4.81 -0.97 -0.70 114.58 120.03 2wdi h GLU 104 Ca 0.64 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.54 2wdi h GLU 104 Cb 1.76 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.98 2wdi h GLU 104 CO -0.31 0.49 -1.23 0.87 -0.73 0.00 0.00 179.01 178.10 2wdi h LYS 105 N 0.77 0.35 -0.02 1.92 1.57 -0.25 -2.97 116.57 117.95 2wdi h LYS 105 Ca 0.34 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2wdi h LYS 105 Cb 0.24 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2wdi h LYS 105 CO -0.20 1.25 0.04 1.25 -0.57 0.00 0.00 179.45 181.22 2wdi h LEU 106 N 0.12 0.00 0.00 2.94 5.85 0.30 0.80 115.31 125.32 2wdi h LEU 106 Ca -0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2wdi h LEU 106 Cb 1.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.97 2wdi h LEU 106 CO 0.21 0.00 -1.61 0.18 -0.34 0.00 0.00 178.44 176.88 2wdi n LEU 107 N -3.33 0.00 -0.08 2.25 4.77 -0.36 -1.67 117.00 118.57 2wdi n LEU 107 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2wdi n LEU 107 Cb 0.12 0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 2wdi n LEU 107 CO 0.22 0.04 -1.06 0.59 -1.33 0.00 0.00 177.39 175.86 2wdi n ASN 108 N -2.01 1.15 -0.01 -1.43 4.13 -1.12 -4.42 115.26 111.56 2wdi n ASN 108 Ca -0.05 -0.02 -0.02 0.00 1.68 0.00 0.00 54.58 56.18 2wdi n ASN 108 Cb 0.41 0.73 -0.01 0.00 -1.54 0.00 0.00 39.78 39.37 2wdi n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2wdi n VAL 109 N -2.68 0.10 0.00 2.41 0.31 0.17 -4.69 118.33 113.95 2wdi n VAL 109 Ca -0.28 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2wdi n VAL 109 Cb 1.01 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2wdi n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdi n ALA 110 N -2.99 0.00 -0.09 3.52 0.00 0.26 -0.89 120.51 120.31 2wdi n ALA 110 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2wdi n ALA 110 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 2wdi n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdi n LEU 111 N 0.00 -0.23 -0.33 0.00 4.77 -0.67 -1.90 117.00 118.64 2wdi n LEU 111 Ca 0.00 1.08 0.25 0.00 -0.03 0.00 0.00 56.01 57.31 2wdi n LEU 111 Cb 0.00 -0.39 0.47 0.00 -2.33 0.00 0.00 43.42 41.17 2wdi n LEU 111 CO 0.00 -0.66 1.00 -0.65 -1.33 0.00 0.00 177.39 175.75 2wdi h PRO 112 N 0.00 0.07 -4.47 3.23 0.11 -1.77 0.14 132.00 129.31 2wdi h PRO 112 Ca 0.04 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.51 2wdi h PRO 112 Cb 0.09 -0.02 -0.38 0.00 0.11 0.00 0.00 31.00 30.80 2wdi h PRO 112 CO -0.21 0.05 -0.77 0.50 -0.21 0.00 0.00 178.00 177.36 2wdi s ARG 113 N -5.70 1.65 0.17 1.05 3.00 -0.06 -4.84 118.95 114.22 2wdi s ARG 113 Ca -0.10 -1.27 -0.33 0.00 -1.00 0.00 0.00 55.73 53.04 2wdi s ARG 113 Cb 0.31 -2.73 -0.12 0.00 0.00 0.00 0.00 34.95 32.41 2wdi s ARG 113 CO 0.78 -0.70 1.70 -0.89 0.00 0.00 0.00 175.30 176.19 2wdi n ILE 114 N 4.54 0.07 0.00 4.11 5.41 0.49 -4.82 119.36 129.17 2wdi n ILE 114 Ca -0.08 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2wdi n ILE 114 Cb 0.43 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 2wdi n ILE 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wdi n ARG 115 N 4.14 0.00 0.00 0.38 1.74 -1.26 -3.93 116.66 117.73 2wdi n ARG 115 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wdi n ARG 115 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 2wdi n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wdi n ASP 116 N -3.63 0.00 -0.38 0.55 9.92 -1.26 -5.17 116.55 116.58 2wdi n ASP 116 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wdi n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wdi n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2wdi n PHE 117 N -1.77 -1.05 -2.52 1.24 7.35 -1.25 -5.03 117.46 114.44 2wdi n PHE 117 Ca 0.00 0.56 -0.02 0.00 -0.76 0.00 0.00 57.45 57.23 2wdi n PHE 117 Cb 0.00 -1.55 0.08 0.00 0.35 0.00 0.00 39.48 38.36 2wdi n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2wdi n ARG 118 N -1.08 0.91 0.00 -4.13 1.74 -1.26 -5.12 116.66 107.72 2wdi n ARG 118 Ca 0.00 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 2wdi n ARG 118 Cb 0.02 0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2wdi n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 119 N -1.04 -3.72 3.56 -0.13 0.00 -1.26 -4.31 105.19 98.29 2wdi n GLY 119 Ca -0.16 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 2wdi n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdi s LEU 120 N 0.00 2.99 0.14 0.99 1.43 1.13 -4.68 118.68 120.68 2wdi s LEU 120 Ca 0.00 -0.32 -0.35 0.00 -1.03 0.00 0.00 54.13 52.44 2wdi s LEU 120 Cb 0.00 -1.76 -0.15 0.00 0.03 0.00 0.00 46.19 44.30 2wdi s LEU 120 CO 0.00 0.23 1.39 -3.20 0.23 0.00 0.00 176.35 175.00 2wdi n ASN 121 N 1.16 2.13 -1.76 2.29 2.85 -1.26 -1.46 115.26 119.22 2wdi n ASN 121 Ca -0.15 1.11 -0.10 0.00 -0.11 0.00 0.00 54.58 55.34 2wdi n ASN 121 Cb 0.52 -1.29 0.18 0.00 1.24 0.00 0.00 39.78 40.44 2wdi n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2wdi n PRO 122 N 2.62 2.55 0.00 1.20 -0.04 -1.26 -4.13 135.00 135.94 2wdi n PRO 122 Ca 0.17 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 2wdi n PRO 122 Cb 0.24 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2wdi n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wdi n ASN 123 N -0.30 2.67 0.00 3.54 4.13 -1.26 -4.80 115.26 119.24 2wdi n ASN 123 Ca 0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.61 2wdi n ASN 123 Cb 1.21 0.35 0.00 0.00 -1.54 0.00 0.00 39.78 39.80 2wdi n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2wdi n SER 124 N -1.15 0.00 -0.01 6.41 7.64 -1.26 -1.79 113.62 123.48 2wdi n SER 124 Ca 0.00 0.05 -0.00 0.00 1.01 0.00 0.00 58.87 59.93 2wdi n SER 124 Cb 0.18 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2wdi n SER 124 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2wdi h PHE 125 N 0.00 0.00 -2.55 1.43 -1.00 -1.87 -3.32 116.94 109.64 2wdi h PHE 125 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2wdi h PHE 125 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 2wdi h PHE 125 CO 0.00 0.00 0.00 -0.25 -1.61 0.00 0.00 178.31 176.45 2wdi n ASP 126 N -2.34 -2.96 0.00 2.17 8.00 -0.74 -1.94 116.55 118.75 2wdi n ASP 126 Ca -0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2wdi n ASP 126 Cb 0.01 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 2wdi n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdi n GLY 127 N 1.67 1.07 3.53 0.44 0.00 -1.26 -4.88 105.19 105.75 2wdi n GLY 127 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 2wdi n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 128 N 0.00 1.57 0.00 1.61 5.12 -0.82 -4.37 116.66 119.77 2wdi n ARG 128 Ca 0.00 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 2wdi n ARG 128 Cb 0.00 -2.91 0.00 0.00 -1.16 0.00 0.00 32.46 28.39 2wdi n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdi n GLY 129 N 6.12 0.59 3.15 -0.13 0.00 -1.14 -4.51 105.19 109.27 2wdi n GLY 129 Ca 0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 2wdi n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdi n ASN 130 N 0.24 1.22 -3.67 1.61 3.02 -1.26 -3.74 115.26 112.68 2wdi n ASN 130 Ca 0.00 -3.04 -0.08 0.00 -0.03 0.00 0.00 54.58 51.43 2wdi n ASN 130 Cb 0.10 0.97 -0.09 0.00 -0.61 0.00 0.00 39.78 40.15 2wdi n ASN 130 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wdi s TYR 131 N -2.99 -0.84 -0.04 3.10 5.04 0.64 -4.57 117.35 117.69 2wdi s TYR 131 Ca 0.19 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 2wdi s TYR 131 Cb 0.01 0.39 -0.03 0.00 0.35 0.00 0.00 41.96 42.68 2wdi s TYR 131 CO 0.14 -0.47 -0.01 -0.80 -1.34 0.00 0.00 175.55 173.07 2wdi s ASN 132 N 2.18 5.09 0.14 4.32 0.01 -1.25 -0.61 114.94 124.82 2wdi s ASN 132 Ca -0.06 0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.13 2wdi s ASN 132 Cb -0.10 -1.36 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 2wdi s ASN 132 CO -0.14 0.33 0.05 -1.48 -1.51 0.00 0.00 177.10 174.34 2wdi s LEU 133 N -1.21 1.81 0.01 0.60 0.05 -0.71 -4.82 118.68 114.41 2wdi s LEU 133 Ca 0.16 -1.21 0.06 0.00 0.05 0.00 0.00 54.13 53.19 2wdi s LEU 133 Cb -0.11 0.24 -0.02 0.00 -2.05 0.00 0.00 46.19 44.25 2wdi s LEU 133 CO 0.06 -0.71 -0.17 -0.83 -0.55 0.00 0.00 176.35 174.15 2wdi s GLY 134 N -3.07 0.90 0.21 -3.48 0.00 -1.26 -3.18 107.32 97.43 2wdi s GLY 134 Ca 0.25 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 44.21 2wdi s GLY 134 CO 0.03 -0.74 -0.00 1.08 0.00 0.00 0.00 173.10 173.46 2wdi s LEU 135 N -0.74 3.26 -0.02 0.66 1.02 -0.75 -4.98 118.68 117.12 2wdi s LEU 135 Ca 0.06 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.65 2wdi s LEU 135 Cb -0.07 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2wdi s LEU 135 CO 0.00 0.05 -0.12 0.54 0.02 0.00 0.00 176.35 176.84 2wdi n ARG 136 N -0.44 0.19 -2.74 1.70 1.74 -1.26 -2.62 116.66 113.24 2wdi n ARG 136 Ca -0.09 0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 2wdi n ARG 136 Cb 0.57 -0.76 0.01 0.00 -1.02 0.00 0.00 32.46 31.25 2wdi n ARG 136 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wdi s GLU 137 N -2.08 3.32 0.00 5.56 2.02 -1.26 -2.22 118.70 124.05 2wdi s GLU 137 Ca -0.10 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2wdi s GLU 137 Cb 0.01 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2wdi s GLU 137 CO 0.15 -0.28 0.12 0.00 0.02 0.00 0.00 175.26 175.28 2wdi n GLN 138 N -2.24 4.94 -0.10 1.61 0.00 -1.22 -4.49 117.38 115.89 2wdi n GLN 138 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 57.00 56.91 2wdi n GLN 138 Cb 0.56 -0.62 0.08 0.00 0.00 0.00 0.00 30.24 30.26 2wdi n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2wdi n LEU 139 N -0.74 1.00 0.00 2.61 -0.00 -1.26 -3.03 117.00 115.58 2wdi n LEU 139 Ca 0.00 -0.50 0.11 0.00 -0.00 0.00 0.00 56.01 55.62 2wdi n LEU 139 Cb 0.00 -0.13 0.60 0.00 -0.00 0.00 0.00 43.42 43.89 2wdi n LEU 139 CO 0.00 0.25 0.87 -0.38 -0.00 0.00 0.00 177.39 178.12 2wdi n ILE 140 N 0.03 0.22 -3.71 1.47 5.41 -1.26 -4.75 119.36 116.77 2wdi n ILE 140 Ca 0.06 0.05 -0.36 0.00 1.00 0.00 0.00 62.75 63.51 2wdi n ILE 140 Cb 0.16 -0.69 -0.07 0.00 -0.71 0.00 0.00 39.64 38.33 2wdi n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2wdi s PHE 141 N -2.42 3.47 -1.52 1.39 0.08 -1.17 -3.68 117.98 114.14 2wdi s PHE 141 Ca 0.25 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2wdi s PHE 141 Cb 0.15 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2wdi s PHE 141 CO 0.32 0.39 0.21 -0.35 -0.10 0.00 0.00 175.22 175.69 2wdi n PRO 142 N 3.14 0.00 0.00 0.24 -0.04 -1.26 -3.06 135.00 134.02 2wdi n PRO 142 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2wdi n PRO 142 Cb 0.53 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2wdi n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wdi n GLU 143 N -0.65 3.57 -4.72 0.54 0.00 -1.26 -5.06 120.64 113.06 2wdi n GLU 143 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 57.16 56.78 2wdi n GLU 143 Cb 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 31.44 30.94 2wdi n GLU 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2wdi s ILE 144 N -0.52 3.38 0.00 3.84 1.10 -1.17 -4.99 121.20 122.83 2wdi s ILE 144 Ca 0.00 -0.58 0.00 0.00 -0.51 0.00 0.00 60.65 59.56 2wdi s ILE 144 Cb 0.00 -2.38 0.00 0.00 0.15 0.00 0.00 42.46 40.23 2wdi s ILE 144 CO 0.00 0.57 0.00 0.35 -2.11 0.00 0.00 174.94 173.75 2wdi n THR 145 N 2.68 0.00 0.00 4.00 -2.24 -1.26 -4.92 114.28 112.54 2wdi n THR 145 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2wdi n THR 145 Cb 0.53 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2wdi n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdi n TYR 146 N -0.62 0.00 -0.09 4.78 9.36 -1.26 -4.68 117.16 124.65 2wdi n TYR 146 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2wdi n TYR 146 Cb 0.00 0.00 0.49 0.00 -0.63 0.00 0.00 39.34 39.20 2wdi n TYR 146 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 2wdi h ASP 147 N 0.00 0.39 -3.59 2.98 3.04 -2.06 -3.24 116.42 113.93 2wdi h ASP 147 Ca 0.00 0.01 -0.67 0.00 -3.24 0.00 0.00 57.03 53.13 2wdi h ASP 147 Cb 0.53 -0.07 -0.38 0.00 -1.04 0.00 0.00 39.33 38.36 2wdi h ASP 147 CO 0.00 0.24 -0.35 -0.32 -2.04 0.00 0.00 179.24 176.77 2wdi s MET 148 N -5.41 2.75 -0.47 4.15 1.75 -1.26 -4.91 119.30 115.89 2wdi s MET 148 Ca -0.08 -3.06 0.06 0.00 -1.25 0.00 0.00 55.69 51.37 2wdi s MET 148 Cb 0.20 -3.69 0.18 0.00 2.84 0.00 0.00 34.83 34.36 2wdi s MET 148 CO 0.75 -1.23 0.63 0.14 -0.65 0.00 0.00 175.02 174.66 2wdi s VAL 149 N -0.97 -0.77 -0.39 10.11 -7.23 -1.23 -4.76 120.40 115.16 2wdi s VAL 149 Ca 0.23 -1.01 0.10 0.00 -1.81 0.00 0.00 61.98 59.49 2wdi s VAL 149 Cb -0.12 -0.22 0.10 0.00 0.56 0.00 0.00 36.38 36.71 2wdi s VAL 149 CO -0.10 -0.21 1.23 -0.90 -0.31 0.00 0.00 175.10 174.81 2wdi n ASP 150 N 3.34 0.26 -3.61 4.85 5.75 -1.26 -4.76 116.55 121.12 2wdi n ASP 150 Ca 0.18 0.55 -0.00 0.00 -0.01 0.00 0.00 54.79 55.50 2wdi n ASP 150 Cb 0.54 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 2wdi n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdi s ALA 151 N -3.16 -2.21 1.12 2.12 0.00 -1.26 -5.17 121.76 113.20 2wdi s ALA 151 Ca -0.01 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 2wdi s ALA 151 Cb 0.03 0.19 0.25 0.00 0.00 0.00 0.00 23.12 23.59 2wdi s ALA 151 CO 0.09 -0.91 1.11 -1.17 0.00 0.00 0.00 175.76 174.89 2wdi s LEU 152 N -2.72 1.08 -0.30 0.00 2.96 -1.26 -5.03 118.68 113.41 2wdi s LEU 152 Ca 0.13 0.80 -0.17 0.00 -0.22 0.00 0.00 54.13 54.66 2wdi s LEU 152 Cb 0.03 -2.70 0.17 0.00 0.50 0.00 0.00 46.19 44.20 2wdi s LEU 152 CO -0.04 -3.72 1.21 -0.60 -1.32 0.00 0.00 176.35 171.88 2wdi s ARG 153 N -5.28 0.04 0.79 1.98 6.06 -1.26 -5.02 118.95 116.27 2wdi s ARG 153 Ca 0.69 0.06 -0.05 0.00 -2.50 0.00 0.00 55.73 53.93 2wdi s ARG 153 Cb -0.13 0.03 0.17 0.00 0.06 0.00 0.00 34.95 35.09 2wdi s ARG 153 CO 0.56 -0.05 1.08 0.41 -2.50 0.00 0.00 175.30 174.81 2wdi n GLY 154 N 5.42 -0.06 2.64 8.12 0.00 -0.94 -3.39 105.19 116.98 2wdi n GLY 154 Ca -0.06 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 2wdi n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2wdi n MET 155 N -3.11 0.70 -3.28 1.61 0.00 -1.08 -4.74 117.12 107.22 2wdi n MET 155 Ca 0.16 -1.82 -0.25 0.00 0.00 0.00 0.00 57.70 55.79 2wdi n MET 155 Cb 0.57 2.02 -0.08 0.00 0.00 0.00 0.00 33.22 35.73 2wdi n MET 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2wdi n ASP 156 N -1.54 0.71 -4.71 3.17 8.00 0.07 -1.81 116.55 120.44 2wdi n ASP 156 Ca -0.04 -2.77 -0.42 0.00 0.71 0.00 0.00 54.79 52.27 2wdi n ASP 156 Cb 0.43 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 2wdi n ASP 156 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wdi s ILE 157 N -1.19 3.24 -0.01 0.53 -4.36 -1.19 -3.60 121.20 114.61 2wdi s ILE 157 Ca 0.35 0.84 0.03 0.00 -0.26 0.00 0.00 60.65 61.62 2wdi s ILE 157 Cb 0.14 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 2wdi s ILE 157 CO -0.11 0.05 -0.11 0.00 0.24 0.00 0.00 174.94 175.01 2wdi s ALA 158 N 1.43 0.94 -0.19 2.27 0.00 -0.54 -1.74 121.76 123.93 2wdi s ALA 158 Ca 0.66 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 2wdi s ALA 158 Cb -0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2wdi s ALA 158 CO 0.30 0.23 -0.08 0.54 0.00 0.00 0.00 175.76 176.75 2wdi s VAL 159 N -0.26 3.15 0.18 0.00 0.11 0.22 -1.15 120.40 122.65 2wdi s VAL 159 Ca 0.04 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.43 2wdi s VAL 159 Cb -0.04 -2.40 -0.06 0.00 -1.53 0.00 0.00 36.38 32.34 2wdi s VAL 159 CO -0.00 0.46 0.46 -0.69 -3.33 0.00 0.00 175.10 172.00 2wdi s VAL 160 N 1.17 5.04 0.02 2.04 1.01 0.45 -0.26 120.40 129.88 2wdi s VAL 160 Ca 0.02 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2wdi s VAL 160 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2wdi s VAL 160 CO -0.02 0.02 0.41 -0.89 0.00 0.00 0.00 175.10 174.62 2wdi s THR 161 N -1.70 0.05 0.04 3.92 2.01 -1.25 -2.70 115.64 116.01 2wdi s THR 161 Ca 0.43 -0.43 0.20 0.00 0.31 0.00 0.00 61.69 62.19 2wdi s THR 161 Cb -0.12 -0.88 0.16 0.00 0.01 0.00 0.00 72.50 71.66 2wdi s THR 161 CO 0.22 -0.24 1.67 0.71 -0.69 0.00 0.00 174.62 176.30 2wdi h THR 162 N 3.20 0.72 -4.15 -0.82 1.35 -1.79 -3.43 112.91 108.00 2wdi h THR 162 Ca -0.31 -1.57 -0.54 0.00 -0.55 0.00 0.00 66.41 63.44 2wdi h THR 162 Cb 1.19 2.02 0.16 0.00 -1.73 0.00 0.00 68.15 69.79 2wdi h THR 162 CO 0.42 0.34 0.44 0.00 -0.25 0.00 0.00 175.52 176.48 2wdi s ALA 163 N -3.41 2.22 0.00 6.62 0.00 -1.26 -4.93 121.76 121.00 2wdi s ALA 163 Ca 0.02 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2wdi s ALA 163 Cb 0.09 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2wdi s ALA 163 CO 0.68 -1.76 0.00 0.39 0.00 0.00 0.00 175.76 175.08 2wdi n GLU 164 N -2.37 0.00 -0.59 0.00 1.02 -1.26 -4.17 120.64 113.27 2wdi n GLU 164 Ca 0.14 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.07 2wdi n GLU 164 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.89 2wdi n GLU 164 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wdi n THR 165 N -0.67 0.44 -0.29 2.62 -2.24 -1.26 -2.88 114.28 109.99 2wdi n THR 165 Ca 0.00 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 2wdi n THR 165 Cb 0.00 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.49 2wdi n THR 165 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2wdi h ASP 166 N 0.78 -0.13 -0.02 3.42 -0.00 -1.85 -2.40 116.42 116.22 2wdi h ASP 166 Ca -0.16 0.21 -0.05 0.00 -0.00 0.00 0.00 57.03 57.03 2wdi h ASP 166 Cb 0.58 0.31 0.00 0.00 -0.00 0.00 0.00 39.33 40.23 2wdi h ASP 166 CO 0.25 -0.19 -0.17 -0.33 -0.00 0.00 0.00 179.24 178.80 2wdi h GLU 167 N 0.16 0.15 0.00 0.28 3.07 -1.94 -3.27 114.58 113.03 2wdi h GLU 167 Ca 0.53 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2wdi h GLU 167 Cb 1.05 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2wdi h GLU 167 CO -0.69 0.83 0.28 0.39 -1.40 0.00 0.00 179.01 178.42 2wdi n GLU 168 N -4.58 0.01 -0.06 2.33 1.02 -0.91 0.23 120.64 118.67 2wdi n GLU 168 Ca -0.09 0.27 -0.16 0.00 -0.02 0.00 0.00 57.16 57.16 2wdi n GLU 168 Cb 0.44 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 2wdi n GLU 168 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdi n ALA 169 N -1.27 1.29 -0.16 0.62 0.00 -1.20 -3.75 120.51 116.05 2wdi n ALA 169 Ca -0.00 -0.94 0.10 0.00 0.00 0.00 0.00 53.44 52.60 2wdi n ALA 169 Cb 0.28 -0.43 0.42 0.00 0.00 0.00 0.00 19.45 19.72 2wdi n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wdi h ARG 170 N 0.02 0.58 0.33 0.00 9.65 0.28 -2.14 114.38 123.10 2wdi h ARG 170 Ca -0.47 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.36 2wdi h ARG 170 Cb 2.03 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 2wdi h ARG 170 CO 0.02 0.39 -0.16 0.00 2.80 0.00 0.00 179.97 183.02 2wdi h ALA 171 N 1.64 -1.00 -0.37 2.80 0.00 -1.50 -2.40 119.26 118.43 2wdi h ALA 171 Ca 0.33 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2wdi h ALA 171 Cb 0.47 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2wdi h ALA 171 CO -0.11 -0.97 -0.22 -0.11 0.00 0.00 0.00 179.25 177.84 2wdi n LEU 172 N -3.30 -0.39 0.23 0.00 7.94 -0.90 -1.90 117.00 118.68 2wdi n LEU 172 Ca -0.05 1.17 -0.16 0.00 -1.11 0.00 0.00 56.01 55.86 2wdi n LEU 172 Cb 0.17 -0.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 2wdi n LEU 172 CO 0.13 -0.79 0.61 -0.07 -1.11 0.00 0.00 177.39 176.16 2wdi h LEU 173 N 0.00 -1.03 -0.07 -1.96 3.38 -1.49 -1.81 115.31 112.33 2wdi h LEU 173 Ca 0.06 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wdi h LEU 173 Cb 0.15 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2wdi h LEU 173 CO -0.35 -0.52 -0.07 -0.08 0.09 0.00 0.00 178.44 177.51 2wdi h GLU 174 N -0.77 -0.04 -0.06 1.13 4.81 -1.18 0.23 114.58 118.70 2wdi h GLU 174 Ca -0.03 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2wdi h GLU 174 Cb 0.69 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2wdi h GLU 174 CO -0.07 -0.02 0.46 -0.07 -0.73 0.00 0.00 179.01 178.57 2wdi h LEU 175 N -0.04 0.00 -0.98 1.64 4.07 -1.38 0.52 115.31 119.14 2wdi h LEU 175 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2wdi h LEU 175 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2wdi h LEU 175 CO -0.09 0.00 -0.13 0.18 -1.08 0.00 0.00 178.44 177.32 2wdi n LEU 176 N -2.91 1.65 0.00 1.67 4.77 0.70 -4.80 117.00 118.07 2wdi n LEU 176 Ca -0.00 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2wdi n LEU 176 Cb 0.51 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wdi n LEU 176 CO 0.13 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2wdi n GLY 177 N 1.28 1.66 3.49 -0.72 0.00 0.18 -5.05 105.19 106.03 2wdi n GLY 177 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2wdi n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wdi s PHE 178 N -2.00 3.22 -0.69 1.61 0.40 -0.62 -4.90 117.98 114.99 2wdi s PHE 178 Ca 0.00 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 55.69 2wdi s PHE 178 Cb 0.00 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 2wdi s PHE 178 CO 0.00 -0.42 1.94 -2.14 0.70 0.00 0.00 175.22 175.29 2wdi s PRO 179 N 1.68 2.54 0.03 0.24 0.02 -1.26 -4.40 135.00 133.86 2wdi s PRO 179 Ca 0.05 0.40 -0.02 0.00 0.02 0.00 0.00 61.00 61.45 2wdi s PRO 179 Cb -0.18 -4.61 -0.04 0.00 0.02 0.00 0.00 34.50 29.70 2wdi s PRO 179 CO 0.09 -3.00 0.22 -0.06 -0.33 0.00 0.00 177.00 173.92 2wdi s PHE 180 N 9.73 3.54 -0.68 6.54 0.40 -1.26 0.36 117.98 136.60 2wdi s PHE 180 Ca 0.71 0.37 0.05 0.00 -0.60 0.00 0.00 56.93 57.45 2wdi s PHE 180 Cb -0.11 -1.84 0.31 0.00 0.51 0.00 0.00 43.02 41.88 2wdi s PHE 180 CO 0.14 0.60 1.00 -2.13 0.70 0.00 0.00 175.22 175.53 2wdi n ARG 181 N 0.64 2.43 0.00 0.44 0.63 -0.53 -4.55 116.66 115.71 2wdi n ARG 181 Ca -0.08 -1.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.66 2wdi n ARG 181 Cb 0.52 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2wdi n ARG 181 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29