#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfu s LYS 2 N 0.00 4.16 -0.11 2.12 3.01 -1.26 -1.69 119.74 125.96 2dfu s LYS 2 Ca 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 55.97 55.31 2dfu s LYS 2 Cb 0.00 -3.58 -0.02 0.00 -1.01 0.00 0.00 37.83 33.22 2dfu s LYS 2 CO 0.00 -0.18 -0.12 0.42 0.51 0.00 0.00 175.35 175.98 2dfu s ILE 3 N 1.75 3.19 0.16 2.17 1.01 0.10 -1.61 121.20 127.97 2dfu s ILE 3 Ca 0.22 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2dfu s ILE 3 Cb -0.15 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 2dfu s ILE 3 CO 0.09 0.54 -0.05 -1.48 0.00 0.00 0.00 174.94 174.04 2dfu s LEU 4 N 0.08 2.36 -0.05 2.97 2.34 -0.33 -1.03 118.68 125.02 2dfu s LEU 4 Ca -0.05 -1.09 0.05 0.00 0.06 0.00 0.00 54.13 53.11 2dfu s LEU 4 Cb -0.14 -0.22 -0.02 0.00 -0.56 0.00 0.00 46.19 45.25 2dfu s LEU 4 CO 0.04 -0.44 -0.21 -0.13 -1.06 0.00 0.00 176.35 174.54 2dfu s ARG 5 N -3.82 2.51 0.22 1.48 0.52 -1.26 -1.27 118.95 117.33 2dfu s ARG 5 Ca 0.20 -0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 54.45 2dfu s ARG 5 Cb 0.04 -2.23 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 2dfu s ARG 5 CO 0.02 0.47 0.44 -0.59 0.02 0.00 0.00 175.30 175.66 2dfu s PHE 6 N -0.36 0.30 0.00 -0.53 -0.71 -0.34 -0.67 117.98 115.67 2dfu s PHE 6 Ca 0.03 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 2dfu s PHE 6 Cb -0.12 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2dfu s PHE 6 CO 0.02 -0.91 0.00 0.09 -1.34 0.00 0.00 175.22 173.08 2dfu n ASN 7 N -0.33 0.00 -3.38 1.98 3.02 0.04 -0.66 115.26 115.91 2dfu n ASN 7 Ca -0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 2dfu n ASN 7 Cb 0.62 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 2dfu n ASN 7 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2dfu n GLU 8 N 14.00 4.09 -1.57 3.52 0.00 -1.26 -4.58 120.64 134.85 2dfu n GLU 8 Ca 0.00 -2.74 -0.11 0.00 0.00 0.00 0.00 57.16 54.30 2dfu n GLU 8 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 31.44 28.68 2dfu n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dfu n GLY 9 N 2.78 0.88 3.82 -1.84 0.00 -1.03 -5.01 105.19 104.79 2dfu n GLY 9 Ca 0.72 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2dfu n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfu s ARG 10 N -3.39 2.97 0.14 1.61 1.81 0.16 -4.80 118.95 117.46 2dfu s ARG 10 Ca 0.00 0.97 0.10 0.00 -1.72 0.00 0.00 55.73 55.08 2dfu s ARG 10 Cb 0.00 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 2dfu s ARG 10 CO 0.00 -1.08 -0.21 -1.58 -0.68 0.00 0.00 175.30 171.75 2dfu s TRP 11 N -3.01 2.44 0.21 -0.53 0.52 -1.26 -1.20 118.94 116.12 2dfu s TRP 11 Ca 0.58 -0.31 -0.23 0.00 0.02 0.00 0.00 56.10 56.16 2dfu s TRP 11 Cb -0.14 -1.27 0.05 0.00 -1.15 0.00 0.00 33.47 30.95 2dfu s TRP 11 CO 0.54 0.41 0.86 0.20 0.02 0.00 0.00 176.95 178.98 2dfu s GLY 12 N -2.28 -0.14 -0.10 0.98 0.00 -0.40 -0.40 107.32 104.97 2dfu s GLY 12 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.84 2dfu s GLY 12 CO 0.09 0.03 -0.21 0.14 0.00 0.00 0.00 173.10 173.15 2dfu s VAL 13 N -3.47 2.30 -0.16 1.40 1.01 0.08 -1.18 120.40 120.37 2dfu s VAL 13 Ca 0.12 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2dfu s VAL 13 Cb -0.03 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 2dfu s VAL 13 CO 0.05 0.55 1.07 -0.22 0.00 0.00 0.00 175.10 176.55 2dfu s LEU 14 N 0.26 4.18 -0.65 3.92 2.96 -0.63 -1.29 118.68 127.42 2dfu s LEU 14 Ca -0.15 1.51 0.05 0.00 -0.22 0.00 0.00 54.13 55.32 2dfu s LEU 14 Cb -0.17 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.13 2dfu s LEU 14 CO 0.07 -0.60 0.43 -1.61 -1.32 0.00 0.00 176.35 173.33 2dfu s GLU 15 N 2.74 2.26 6.24 1.98 0.41 0.15 -4.61 118.70 127.88 2dfu s GLU 15 Ca 0.48 -3.11 0.00 0.00 -0.41 0.00 0.00 54.97 51.93 2dfu s GLU 15 Cb -0.18 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 2dfu s GLU 15 CO 0.12 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.05 2dfu n GLY 16 N 2.28 1.73 0.37 -1.39 0.00 -1.26 -1.74 105.19 105.18 2dfu n GLY 16 Ca 0.17 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2dfu n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfu n GLU 17 N 1.48 1.59 -3.60 1.61 -0.58 -1.26 -4.96 120.64 114.93 2dfu n GLU 17 Ca 0.00 -0.80 -0.37 0.00 -0.42 0.00 0.00 57.16 55.57 2dfu n GLU 17 Cb 0.00 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 29.49 2dfu n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dfu s LEU 18 N -2.14 4.29 -0.40 -4.62 0.20 -0.71 -0.99 118.68 114.30 2dfu s LEU 18 Ca 0.14 0.53 -0.14 0.00 0.69 0.00 0.00 54.13 55.35 2dfu s LEU 18 Cb 0.14 -2.33 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2dfu s LEU 18 CO 0.45 0.18 0.28 -0.69 -0.29 0.00 0.00 176.35 176.27 2dfu s VAL 19 N 0.06 5.13 -0.43 1.68 1.01 0.16 0.31 120.40 128.33 2dfu s VAL 19 Ca 0.16 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2dfu s VAL 19 Cb -0.13 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2dfu s VAL 19 CO 0.04 -0.28 0.65 -0.22 0.00 0.00 0.00 175.10 175.29 2dfu s LEU 20 N 1.66 4.46 0.34 3.92 2.96 -0.41 -0.86 118.68 130.75 2dfu s LEU 20 Ca 0.04 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 2dfu s LEU 20 Cb -0.19 -2.75 -0.10 0.00 0.50 0.00 0.00 46.19 43.65 2dfu s LEU 20 CO 0.09 -0.77 1.33 -0.70 -1.32 0.00 0.00 176.35 174.98 2dfu s GLU 21 N 2.84 4.31 0.21 1.98 2.12 -0.73 -0.74 118.70 128.68 2dfu s GLU 21 Ca 0.23 2.25 0.08 0.00 0.36 0.00 0.00 54.97 57.89 2dfu s GLU 21 Cb -0.14 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 2dfu s GLU 21 CO 0.19 -0.24 -0.14 0.95 -0.54 0.00 0.00 175.26 175.48 2dfu s THR 22 N -1.14 1.72 -0.92 -1.70 -4.23 0.46 -1.58 115.64 108.24 2dfu s THR 22 Ca 0.50 -2.21 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 2dfu s THR 22 Cb -0.40 -2.05 0.14 0.00 1.34 0.00 0.00 72.50 71.52 2dfu s THR 22 CO 0.54 -0.59 1.10 -0.62 -0.54 0.00 0.00 174.62 174.51 2dfu s ASP 23 N -3.32 6.64 0.00 3.99 2.15 0.37 -4.23 116.67 122.27 2dfu s ASP 23 Ca 0.23 -2.08 0.00 0.00 0.43 0.00 0.00 52.55 51.12 2dfu s ASP 23 Cb -0.00 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2dfu s ASP 23 CO 0.07 -1.03 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 2dfu n GLY 24 N 5.40 0.12 3.65 2.66 0.00 -1.26 -4.23 105.19 111.53 2dfu n GLY 24 Ca 0.23 -1.69 -0.51 0.00 0.00 0.00 0.00 46.02 44.06 2dfu n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dfu n PRO 25 N 0.29 1.75 -1.75 1.61 -0.04 -1.26 -1.24 135.00 134.35 2dfu n PRO 25 Ca 0.00 0.62 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 2dfu n PRO 25 Cb 0.00 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 2dfu n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dfu n GLY 26 N 4.76 1.08 0.00 0.55 0.00 -1.26 -5.00 105.19 105.32 2dfu n GLY 26 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2dfu n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfu n GLY 27 N -0.92 0.44 3.76 -0.02 0.00 -0.38 -5.04 105.19 103.04 2dfu n GLY 27 Ca -0.18 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2dfu n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfu s ASN 28 N -1.00 5.84 0.34 1.61 0.01 -1.26 -4.44 114.94 116.04 2dfu s ASN 28 Ca 0.00 2.86 -0.28 0.00 -0.71 0.00 0.00 52.86 54.73 2dfu s ASN 28 Cb 0.00 -2.65 -0.10 0.00 0.41 0.00 0.00 41.25 38.91 2dfu s ASN 28 CO 0.00 -1.19 1.28 -2.16 -1.51 0.00 0.00 177.10 173.52 2dfu s PRO 29 N -2.50 4.29 0.17 -0.60 0.04 -1.26 -0.48 135.00 134.67 2dfu s PRO 29 Ca 0.62 2.16 0.17 0.00 0.04 0.00 0.00 61.00 63.98 2dfu s PRO 29 Cb -0.42 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2dfu s PRO 29 CO 0.54 -0.22 1.11 1.79 0.04 0.00 0.00 177.00 180.26 2dfu h THR 30 N 2.90 0.60 0.00 1.26 1.35 -1.61 -3.46 112.91 113.96 2dfu h THR 30 Ca -0.49 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 2dfu h THR 30 Cb 1.23 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2dfu h THR 30 CO 0.65 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2dfu n GLY 31 N 1.30 2.08 3.87 5.82 0.00 -1.26 -5.10 105.19 111.90 2dfu n GLY 31 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2dfu n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfu s ARG 32 N -0.16 3.85 -0.00 1.61 0.52 -1.26 -5.01 118.95 118.50 2dfu s ARG 32 Ca 0.00 0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 55.58 2dfu s ARG 32 Cb 0.00 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2dfu s ARG 32 CO 0.00 0.14 0.15 -0.98 0.02 0.00 0.00 175.30 174.63 2dfu s ARG 33 N -3.26 0.46 0.02 3.54 1.04 -1.26 -1.78 118.95 117.72 2dfu s ARG 33 Ca 0.51 -0.32 -0.01 0.00 -1.04 0.00 0.00 55.73 54.87 2dfu s ARG 33 Cb -0.10 0.20 -0.02 0.00 -2.04 0.00 0.00 34.95 32.98 2dfu s ARG 33 CO 0.24 -0.11 -0.02 0.71 -0.04 0.00 0.00 175.30 176.08 2dfu s TYR 34 N -1.23 0.28 0.19 5.89 1.51 -0.04 -4.96 117.35 119.00 2dfu s TYR 34 Ca -0.13 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.05 2dfu s TYR 34 Cb -0.07 -0.21 -0.08 0.00 -0.11 0.00 0.00 41.96 41.50 2dfu s TYR 34 CO 0.02 -0.22 1.10 0.34 -1.11 0.00 0.00 175.55 175.68 2dfu s ASP 35 N -1.64 7.26 0.25 2.29 2.15 -1.26 0.37 116.67 126.09 2dfu s ASP 35 Ca -0.13 2.12 -0.02 0.00 0.43 0.00 0.00 52.55 54.94 2dfu s ASP 35 Cb -0.08 -2.61 0.50 0.00 -0.30 0.00 0.00 42.92 40.44 2dfu s ASP 35 CO -0.02 -0.21 1.75 0.25 -0.17 0.00 0.00 175.17 176.76 2dfu h LEU 36 N 4.94 0.41 -1.71 -1.34 5.85 -1.42 -0.74 115.31 121.30 2dfu h LEU 36 Ca -0.45 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 2dfu h LEU 36 Cb 1.21 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2dfu h LEU 36 CO 0.72 0.16 -0.18 0.00 -0.34 0.00 0.00 178.44 178.80 2dfu h ALA 37 N 1.56 1.40 0.00 1.25 0.00 -1.92 -2.84 119.26 118.71 2dfu h ALA 37 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dfu h ALA 37 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dfu h ALA 37 CO -0.38 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 2dfu n SER 38 N -3.89 0.00 -4.71 0.00 3.41 -0.29 -4.86 113.62 103.28 2dfu n SER 38 Ca -0.02 -0.24 -0.23 0.00 -0.26 0.00 0.00 58.87 58.12 2dfu n SER 38 Cb 0.27 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 2dfu n SER 38 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2dfu s VAL 39 N -2.50 3.85 -0.42 -3.33 -7.23 -1.07 -4.98 120.40 104.71 2dfu s VAL 39 Ca 0.31 -1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 2dfu s VAL 39 Cb 0.20 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 34.10 2dfu s VAL 39 CO 0.45 -0.36 0.32 -0.89 -0.31 0.00 0.00 175.10 174.31 2dfu s THR 40 N -2.24 5.24 0.39 5.32 2.01 -1.26 -4.95 115.64 120.15 2dfu s THR 40 Ca 0.32 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 2dfu s THR 40 Cb -0.07 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2dfu s THR 40 CO 0.22 -0.35 1.23 -0.22 -0.69 0.00 0.00 174.62 174.81 2dfu s LEU 41 N 1.73 4.24 0.31 4.42 2.96 -1.26 -0.78 118.68 130.29 2dfu s LEU 41 Ca 0.06 2.49 0.05 0.00 -0.22 0.00 0.00 54.13 56.51 2dfu s LEU 41 Cb -0.19 -3.93 -0.06 0.00 0.50 0.00 0.00 46.19 42.51 2dfu s LEU 41 CO 0.10 -0.71 0.02 -0.76 -1.32 0.00 0.00 176.35 173.68 2dfu s LEU 42 N -2.37 2.31 0.30 -0.68 1.43 0.16 -4.43 118.68 115.40 2dfu s LEU 42 Ca 0.56 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 2dfu s LEU 42 Cb -0.34 -0.47 -0.11 0.00 0.03 0.00 0.00 46.19 45.29 2dfu s LEU 42 CO 0.44 -0.51 1.52 -2.84 0.23 0.00 0.00 176.35 175.19 2dfu s PRO 43 N -3.83 4.17 0.00 1.29 0.02 -1.26 -4.41 135.00 130.98 2dfu s PRO 43 Ca 0.34 2.49 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 2dfu s PRO 43 Cb 0.07 -3.04 -0.18 0.00 0.02 0.00 0.00 34.50 31.37 2dfu s PRO 43 CO 0.14 -0.54 2.85 -0.35 -0.33 0.00 0.00 177.00 178.77 2dfu n PRO 44 N 1.89 1.52 -3.57 5.54 -0.04 -1.26 -4.65 135.00 134.43 2dfu n PRO 44 Ca 0.06 -0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 62.78 2dfu n PRO 44 Cb 0.39 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 2dfu n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dfu s ALA 45 N 1.15 -1.99 -0.49 0.55 0.00 -1.26 -4.88 121.76 114.83 2dfu s ALA 45 Ca 0.46 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.94 2dfu s ALA 45 Cb 0.22 -0.08 0.24 0.00 0.00 0.00 0.00 23.12 23.50 2dfu s ALA 45 CO 0.00 -0.58 0.58 0.25 0.00 0.00 0.00 175.76 176.01 2dfu n THR 46 N -0.04 0.40 -2.15 0.00 -2.24 -1.25 -5.12 114.28 103.87 2dfu n THR 46 Ca -0.03 -4.41 -0.39 0.00 -2.27 0.00 0.00 64.05 56.95 2dfu n THR 46 Cb 0.59 -1.99 -0.01 0.00 -2.10 0.00 0.00 70.33 66.82 2dfu n THR 46 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dfu s PRO 47 N -1.53 3.96 0.17 -0.78 0.04 -1.13 -4.75 135.00 130.98 2dfu s PRO 47 Ca 0.36 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.54 2dfu s PRO 47 Cb 0.14 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 2dfu s PRO 47 CO -0.09 -0.45 1.20 1.79 0.04 0.00 0.00 177.00 179.50 2dfu h THR 48 N 2.34 0.96 -2.91 1.26 1.35 -1.87 -3.46 112.91 110.58 2dfu h THR 48 Ca -0.49 -2.47 -0.03 0.00 -0.55 0.00 0.00 66.41 62.87 2dfu h THR 48 Cb 1.24 2.42 -0.13 0.00 -1.73 0.00 0.00 68.15 69.96 2dfu h THR 48 CO 0.62 0.55 0.19 -1.59 -0.25 0.00 0.00 175.52 175.04 2dfu s LYS 49 N -2.87 1.24 -0.20 4.72 -2.85 -1.26 -4.87 119.74 113.65 2dfu s LYS 49 Ca 0.01 -0.40 0.01 0.00 -1.00 0.00 0.00 55.97 54.59 2dfu s LYS 49 Cb 0.08 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.46 2dfu s LYS 49 CO 0.78 -0.52 -0.12 0.42 0.10 0.00 0.00 175.35 176.01 2dfu s ILE 50 N -3.44 1.76 -0.20 3.79 1.01 -1.18 -2.88 121.20 120.05 2dfu s ILE 50 Ca -0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 2dfu s ILE 50 Cb -0.01 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2dfu s ILE 50 CO -0.10 0.24 0.05 -0.69 0.00 0.00 0.00 174.94 174.44 2dfu s VAL 51 N 1.36 4.54 0.03 2.92 1.01 -0.50 -1.74 120.40 128.03 2dfu s VAL 51 Ca -0.00 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2dfu s VAL 51 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2dfu s VAL 51 CO -0.09 0.43 -0.24 0.00 0.00 0.00 0.00 175.10 175.20 2dfu s VAL 53 N -0.75 5.05 0.00 0.00 1.01 -0.75 -0.84 120.40 124.12 2dfu s VAL 53 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2dfu s VAL 53 Cb -0.09 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2dfu s VAL 53 CO 0.01 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2dfu n GLY 54 N 1.05 0.88 3.67 4.51 0.00 0.18 -4.05 105.19 111.42 2dfu n GLY 54 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2dfu n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dfu s ARG 55 N 0.01 4.21 0.00 1.61 3.52 -1.26 -4.35 118.95 122.68 2dfu s ARG 55 Ca 0.00 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 2dfu s ARG 55 Cb 0.00 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2dfu s ARG 55 CO 0.00 -0.77 0.57 -1.71 -0.81 0.00 0.00 175.30 172.57 2dfu n ASN 56 N 6.65 0.31 -1.20 -2.12 5.15 -1.26 -4.72 115.26 118.07 2dfu n ASN 56 Ca 0.16 -1.15 0.03 0.00 -0.60 0.00 0.00 54.58 53.02 2dfu n ASN 56 Cb 0.43 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.79 2dfu n ASN 56 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2dfu n TYR 57 N -0.08 0.21 0.00 1.20 4.02 -1.26 -0.35 117.16 120.90 2dfu n TYR 57 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 57.90 56.78 2dfu n TYR 57 Cb 0.45 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2dfu n TYR 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2dfu n PRO 73 N -0.33 0.00 0.09 -0.72 -0.02 -1.26 -4.91 135.00 127.84 2dfu n PRO 73 Ca 0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 2dfu n PRO 73 Cb 0.92 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.38 2dfu n PRO 73 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2dfu h LYS 74 N 0.00 0.13 -4.64 -0.52 2.10 -2.04 -3.46 116.57 108.15 2dfu h LYS 74 Ca 0.00 -0.16 -0.24 0.00 -2.00 0.00 0.00 60.65 58.25 2dfu h LYS 74 Cb 0.00 0.05 -0.17 0.00 -0.90 0.00 0.00 32.23 31.21 2dfu h LYS 74 CO 0.00 0.94 -0.71 -1.21 -2.00 0.00 0.00 179.45 176.47 2dfu s GLU 75 N -3.11 0.74 0.29 0.07 2.02 -1.26 -5.13 118.70 112.33 2dfu s GLU 75 Ca -0.02 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 2dfu s GLU 75 Cb 0.10 -0.25 -0.11 0.00 0.10 0.00 0.00 34.13 33.98 2dfu s GLU 75 CO 0.82 0.01 1.52 -2.14 0.02 0.00 0.00 175.26 175.49 2dfu s PRO 76 N -3.07 4.18 0.04 0.39 0.02 -1.26 -4.97 135.00 130.32 2dfu s PRO 76 Ca 0.05 2.47 -0.25 0.00 0.02 0.00 0.00 61.00 63.29 2dfu s PRO 76 Cb 0.00 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 2dfu s PRO 76 CO -0.03 -0.53 0.77 0.20 -0.33 0.00 0.00 177.00 177.09 2dfu s GLY 77 N 0.30 2.79 0.11 0.52 0.00 -1.26 -4.94 107.32 104.83 2dfu s GLY 77 Ca 0.60 0.29 0.09 0.00 0.00 0.00 0.00 44.72 45.69 2dfu s GLY 77 CO 0.49 1.13 -0.22 1.08 0.00 0.00 0.00 173.10 175.58 2dfu s LEU 78 N 0.05 2.31 0.06 0.66 1.43 -1.26 0.48 118.68 122.40 2dfu s LEU 78 Ca 0.39 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2dfu s LEU 78 Cb -0.20 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.09 2dfu s LEU 78 CO 0.23 0.08 0.24 0.72 0.23 0.00 0.00 176.35 177.85 2dfu s PHE 79 N -1.16 0.01 0.11 0.29 -0.71 -0.02 -4.94 117.98 111.56 2dfu s PHE 79 Ca 0.08 -0.25 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 2dfu s PHE 79 Cb -0.10 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 2dfu s PHE 79 CO 0.05 -0.50 0.00 -0.51 -1.34 0.00 0.00 175.22 172.92 2dfu s LEU 80 N -2.29 3.43 -0.02 -1.99 1.43 -1.26 -0.69 118.68 117.28 2dfu s LEU 80 Ca -0.02 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2dfu s LEU 80 Cb 0.01 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2dfu s LEU 80 CO -0.06 0.15 -0.15 -0.54 0.23 0.00 0.00 176.35 175.98 2dfu s LYS 81 N -2.50 1.40 0.56 1.70 1.02 -0.71 -4.66 119.74 116.56 2dfu s LYS 81 Ca 0.26 -0.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 2dfu s LYS 81 Cb -0.11 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2dfu s LYS 81 CO 0.18 0.27 0.92 0.20 -0.92 0.00 0.00 175.35 176.01 2dfu s GLY 82 N -0.15 1.59 0.25 -3.33 0.00 -1.26 -3.12 107.32 101.31 2dfu s GLY 82 Ca 0.01 -0.27 0.18 0.00 0.00 0.00 0.00 44.72 44.65 2dfu s GLY 82 CO 0.00 -0.04 1.56 -1.55 0.00 0.00 0.00 173.10 173.08 2dfu n PRO 83 N -2.54 0.12 0.22 2.90 -0.04 -1.26 -1.47 135.00 132.93 2dfu n PRO 83 Ca 0.04 0.57 0.15 0.00 -0.04 0.00 0.00 63.50 64.22 2dfu n PRO 83 Cb 0.54 -1.86 0.68 0.00 -0.04 0.00 0.00 33.50 32.83 2dfu n PRO 83 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2dfu h ASN 84 N 0.00 0.00 1.23 3.54 -1.07 -1.92 -2.23 115.58 115.14 2dfu h ASN 84 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 2dfu h ASN 84 Cb 0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.32 2dfu h ASN 84 CO 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 177.43 177.33 2dfu h ALA 85 N 2.10 0.96 -2.63 4.14 0.00 -1.44 -2.55 119.26 119.84 2dfu h ALA 85 Ca 0.00 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.20 2dfu h ALA 85 Cb 0.30 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.16 2dfu h ALA 85 CO 0.00 0.21 0.69 1.28 0.00 0.00 0.00 179.25 181.43 2dfu n LEU 86 N -3.24 3.91 -3.91 0.00 4.77 -0.84 0.73 117.00 118.42 2dfu n LEU 86 Ca 0.01 1.18 -0.16 0.00 -0.03 0.00 0.00 56.01 57.01 2dfu n LEU 86 Cb 0.46 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 2dfu n LEU 86 CO 0.33 -0.19 -0.39 0.00 -1.33 0.00 0.00 177.39 175.81 2dfu s ALA 87 N -0.57 0.41 0.33 -1.18 0.00 -0.79 -4.38 121.76 115.58 2dfu s ALA 87 Ca 0.60 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 2dfu s ALA 87 Cb -0.55 -0.20 -0.11 0.00 0.00 0.00 0.00 23.12 22.26 2dfu s ALA 87 CO 0.56 0.04 1.55 0.54 0.00 0.00 0.00 175.76 178.45 2dfu n ARG 88 N 3.42 2.71 -2.43 0.00 1.74 -1.26 -2.28 116.66 118.56 2dfu n ARG 88 Ca -0.18 0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 57.53 2dfu n ARG 88 Cb 0.55 -2.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.24 2dfu n ARG 88 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dfu s PRO 89 N -1.27 3.97 0.22 5.56 0.04 -1.25 -2.19 135.00 140.07 2dfu s PRO 89 Ca 0.59 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2dfu s PRO 89 Cb -0.48 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2dfu s PRO 89 CO 0.56 -0.25 1.12 0.20 0.04 0.00 0.00 177.00 178.66 2dfu s GLY 90 N -3.01 2.91 0.06 0.56 0.00 -0.02 -4.43 107.32 103.39 2dfu s GLY 90 Ca 0.59 0.87 -0.31 0.00 0.00 0.00 0.00 44.72 45.88 2dfu s GLY 90 CO 0.30 1.62 1.52 0.21 0.00 0.00 0.00 173.10 176.76 2dfu s ASN 91 N -0.39 6.72 0.56 1.64 3.84 -1.26 -4.54 114.94 121.50 2dfu s ASN 91 Ca 0.48 2.34 0.29 0.00 0.21 0.00 0.00 52.86 56.18 2dfu s ASN 91 Cb -0.31 -2.57 1.46 0.00 -0.55 0.00 0.00 41.25 39.29 2dfu s ASN 91 CO 0.38 -0.79 1.92 -0.65 -2.79 0.00 0.00 177.10 175.17 2dfu h PRO 92 N 7.84 0.00 0.00 0.43 0.11 -1.93 0.18 132.00 138.63 2dfu h PRO 92 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2dfu h PRO 92 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dfu h PRO 92 CO 0.91 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.24 2dfu n ARG 93 N -4.06 0.19 -2.72 1.05 3.00 -1.26 -4.26 116.66 108.59 2dfu n ARG 93 Ca 0.12 0.25 -0.07 0.00 -0.01 0.00 0.00 57.85 58.14 2dfu n ARG 93 Cb 0.74 -1.77 0.07 0.00 0.00 0.00 0.00 32.46 31.50 2dfu n ARG 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2dfu n ASP 94 N -2.11 -2.33 0.00 0.55 2.03 0.18 -5.07 116.55 109.80 2dfu n ASP 94 Ca 0.05 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2dfu n ASP 94 Cb 0.35 1.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 2dfu n ASP 94 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2dfu n PRO 95 N 1.32 0.00 0.27 -0.67 -0.02 0.38 -2.59 135.00 133.69 2dfu n PRO 95 Ca 0.06 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.52 2dfu n PRO 95 Cb 0.67 -1.38 0.80 0.00 -0.02 0.00 0.00 33.50 33.56 2dfu n PRO 95 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2dfu h TRP 96 N 0.00 0.00 0.00 6.00 4.06 -1.95 -1.52 115.95 122.54 2dfu h TRP 96 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dfu h TRP 96 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2dfu h TRP 96 CO -0.58 0.00 -0.46 0.41 -3.56 0.00 0.00 178.44 174.26 2dfu n GLY 97 N -0.34 -1.32 0.00 1.49 0.00 -1.14 -4.45 105.19 99.43 2dfu n GLY 97 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2dfu n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfu n THR 98 N -1.64 0.00 -1.71 2.61 -2.24 -1.01 -5.05 114.28 105.25 2dfu n THR 98 Ca 0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 2dfu n THR 98 Cb 0.36 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 2dfu n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfu n ALA 99 N -1.61 1.73 -2.47 6.98 0.00 -0.60 -4.74 120.51 119.80 2dfu n ALA 99 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2dfu n ALA 99 Cb 0.27 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 2dfu n ALA 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dfu s GLU 100 N -0.66 4.22 0.45 0.00 2.12 -0.93 -4.87 118.70 119.03 2dfu s GLU 100 Ca 0.65 1.58 -0.25 0.00 0.36 0.00 0.00 54.97 57.30 2dfu s GLU 100 Cb -0.58 -3.74 -0.08 0.00 0.26 0.00 0.00 34.13 29.99 2dfu s GLU 100 CO 0.51 -0.71 1.36 -2.14 -0.54 0.00 0.00 175.26 173.74 2dfu s PRO 101 N 3.47 3.72 -0.47 4.30 0.02 -1.26 -4.59 135.00 140.18 2dfu s PRO 101 Ca 0.52 2.26 -0.16 0.00 0.02 0.00 0.00 61.00 63.65 2dfu s PRO 101 Cb -0.20 -2.62 0.07 0.00 0.02 0.00 0.00 34.50 31.77 2dfu s PRO 101 CO 0.13 -0.74 0.42 0.08 -0.33 0.00 0.00 177.00 176.56 2dfu s VAL 102 N -1.26 5.20 0.37 3.83 1.01 -0.43 -4.79 120.40 124.33 2dfu s VAL 102 Ca 0.61 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 2dfu s VAL 102 Cb -0.40 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 2dfu s VAL 102 CO 0.51 -0.59 1.34 -2.65 0.00 0.00 0.00 175.10 173.71 2dfu n PRO 103 N 5.30 2.25 -2.69 2.72 -0.02 -1.26 -0.91 135.00 140.39 2dfu n PRO 103 Ca -0.12 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2dfu n PRO 103 Cb 0.44 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2dfu n PRO 103 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2dfu s TYR 104 N -1.12 2.74 0.39 6.00 6.14 -1.16 -4.81 117.35 125.53 2dfu s TYR 104 Ca 0.56 0.36 -0.24 0.00 0.64 0.00 0.00 57.07 58.39 2dfu s TYR 104 Cb -0.53 -4.30 -0.13 0.00 0.42 0.00 0.00 41.96 37.42 2dfu s TYR 104 CO 0.62 -1.39 0.70 -2.30 0.64 0.00 0.00 175.55 173.82 2dfu n PRO 105 N 7.87 0.78 0.21 4.97 -0.02 -1.26 -2.11 135.00 145.45 2dfu n PRO 105 Ca 0.07 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 2dfu n PRO 105 Cb 0.49 -1.62 0.21 0.00 -0.02 0.00 0.00 33.50 32.56 2dfu n PRO 105 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2dfu h PHE 106 N 1.12 0.00 -0.01 6.00 3.57 -1.86 -3.26 116.94 122.50 2dfu h PHE 106 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2dfu h PHE 106 Cb 1.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2dfu h PHE 106 CO 0.39 0.08 -0.08 1.97 -2.23 0.00 0.00 178.31 178.45 2dfu n PHE 107 N -3.13 0.00 -4.32 0.41 1.16 -1.26 -4.92 117.46 105.40 2dfu n PHE 107 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.45 2dfu n PHE 107 Cb 0.53 -0.06 -0.10 0.00 -1.61 0.00 0.00 39.48 38.24 2dfu n PHE 107 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2dfu s THR 108 N -2.20 0.72 0.00 1.97 -1.32 -1.23 -4.87 115.64 108.71 2dfu s THR 108 Ca 0.35 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2dfu s THR 108 Cb 0.21 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2dfu s THR 108 CO 0.41 -0.16 0.21 -0.62 -2.21 0.00 0.00 174.62 172.26 2dfu n GLU 109 N -0.43 0.00 -3.28 7.08 1.02 -1.26 -4.85 120.64 118.91 2dfu n GLU 109 Ca -0.02 -0.21 -0.26 0.00 -0.02 0.00 0.00 57.16 56.65 2dfu n GLU 109 Cb 0.65 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.67 2dfu n GLU 109 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dfu n GLU 110 N 0.00 1.98 -3.09 3.49 1.02 -1.26 -5.04 120.64 117.74 2dfu n GLU 110 Ca 0.00 -4.19 -0.41 0.00 -0.02 0.00 0.00 57.16 52.54 2dfu n GLU 110 Cb 0.41 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 2dfu n GLU 110 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dfu s LEU 111 N -2.21 4.12 0.27 -4.62 2.96 -1.26 -0.97 118.68 116.97 2dfu s LEU 111 Ca 0.40 0.53 0.08 0.00 -0.22 0.00 0.00 54.13 54.92 2dfu s LEU 111 Cb 0.18 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2dfu s LEU 111 CO -0.06 -0.48 0.10 -1.00 -1.32 0.00 0.00 176.35 173.59 2dfu s HIS 112 N 2.64 2.85 0.18 5.38 3.76 0.20 -0.53 115.29 129.76 2dfu s HIS 112 Ca 0.26 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 55.07 2dfu s HIS 112 Cb -0.15 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2dfu s HIS 112 CO 0.11 0.53 -0.21 1.52 -0.85 0.00 0.00 174.74 175.84 2dfu s TYR 113 N -2.27 2.09 -0.27 1.40 -0.85 -1.16 -1.23 117.35 115.06 2dfu s TYR 113 Ca 0.33 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.47 2dfu s TYR 113 Cb -0.06 -1.03 0.15 0.00 0.38 0.00 0.00 41.96 41.40 2dfu s TYR 113 CO 0.22 0.44 0.43 -1.21 -1.52 0.00 0.00 175.55 173.91 2dfu s GLU 114 N -2.76 0.41 0.19 -3.49 2.02 -1.19 -4.21 118.70 109.67 2dfu s GLU 114 Ca 0.19 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 2dfu s GLU 114 Cb -0.07 -0.22 -0.08 0.00 0.10 0.00 0.00 34.13 33.86 2dfu s GLU 114 CO 0.09 -0.75 1.08 0.20 0.02 0.00 0.00 175.26 175.89 2dfu s GLY 115 N 2.61 2.90 0.08 -1.39 0.00 -1.26 -0.89 107.32 109.38 2dfu s GLY 115 Ca 0.13 0.79 -0.08 0.00 0.00 0.00 0.00 44.72 45.57 2dfu s GLY 115 CO -0.21 1.60 0.16 -0.54 0.00 0.00 0.00 173.10 174.11 2dfu s GLU 116 N -0.49 0.81 -0.03 2.90 2.02 -0.32 -4.36 118.70 119.24 2dfu s GLU 116 Ca 0.48 -1.00 -0.22 0.00 0.02 0.00 0.00 54.97 54.25 2dfu s GLU 116 Cb -0.29 0.32 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 2dfu s GLU 116 CO 0.35 -0.24 0.64 -1.17 0.02 0.00 0.00 175.26 174.86 2dfu s LEU 117 N -2.87 4.38 0.11 1.80 2.96 -1.26 -1.94 118.68 121.86 2dfu s LEU 117 Ca 0.05 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.24 2dfu s LEU 117 Cb 0.05 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2dfu s LEU 117 CO -0.11 0.01 -0.20 0.00 -1.32 0.00 0.00 176.35 174.73 2dfu s ALA 118 N 0.23 2.60 -0.09 5.97 0.00 0.47 -2.46 121.76 128.48 2dfu s ALA 118 Ca 0.34 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.96 2dfu s ALA 118 Cb -0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2dfu s ALA 118 CO 0.18 0.58 -0.16 0.08 0.00 0.00 0.00 175.76 176.43 2dfu s VAL 119 N -1.10 2.82 -0.28 0.00 1.01 0.39 -0.83 120.40 122.41 2dfu s VAL 119 Ca 0.17 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2dfu s VAL 119 Cb -0.10 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2dfu s VAL 119 CO 0.09 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.09 2dfu s VAL 120 N -0.10 3.58 0.38 2.92 1.01 -0.20 -0.44 120.40 127.55 2dfu s VAL 120 Ca -0.03 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2dfu s VAL 120 Cb -0.14 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2dfu s VAL 120 CO 0.04 0.10 1.28 -0.69 0.00 0.00 0.00 175.10 175.83 2dfu s VAL 121 N 1.43 2.74 -0.17 2.92 1.01 -0.44 -1.08 120.40 126.81 2dfu s VAL 121 Ca 0.01 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 2dfu s VAL 121 Cb -0.17 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 2dfu s VAL 121 CO 0.00 0.11 -0.17 0.61 0.00 0.00 0.00 175.10 175.66 2dfu n GLY 122 N 0.71 -0.24 3.32 4.51 0.00 0.20 0.03 105.19 113.71 2dfu n GLY 122 Ca 0.03 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2dfu n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfu s ASP 123 N -5.83 3.01 0.19 1.61 1.01 -0.63 -4.63 116.67 111.40 2dfu s ASP 123 Ca -0.23 -0.58 -0.32 0.00 0.71 0.00 0.00 52.55 52.13 2dfu s ASP 123 Cb 0.07 -0.27 -0.15 0.00 1.01 0.00 0.00 42.92 43.57 2dfu s ASP 123 CO 0.37 0.24 1.15 -1.14 0.21 0.00 0.00 175.17 176.00 2dfu n ARG 124 N 1.79 1.20 -3.99 8.23 0.63 -1.26 -4.70 116.66 118.55 2dfu n ARG 124 Ca -0.17 0.43 -0.30 0.00 -0.92 0.00 0.00 57.85 56.89 2dfu n ARG 124 Cb 0.52 -1.91 -0.16 0.00 0.45 0.00 0.00 32.46 31.36 2dfu n ARG 124 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2dfu s MET 125 N -0.51 2.08 -0.07 -0.14 -1.94 0.37 -4.96 119.30 114.13 2dfu s MET 125 Ca 0.71 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.98 2dfu s MET 125 Cb -0.83 -2.23 0.04 0.00 2.01 0.00 0.00 34.83 33.82 2dfu s MET 125 CO 0.53 -0.34 0.14 0.50 -0.01 0.00 0.00 175.02 175.84 2dfu s ARG 126 N 1.46 0.03 -1.14 2.03 3.52 -1.26 -1.05 118.95 122.53 2dfu s ARG 126 Ca 0.02 0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.99 2dfu s ARG 126 Cb -0.15 -0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 32.93 2dfu s ARG 126 CO -0.09 -0.29 0.81 0.72 -0.81 0.00 0.00 175.30 175.64 2dfu n HIS 127 N 5.14 -2.05 -3.90 5.12 8.25 0.12 -4.97 115.22 122.93 2dfu n HIS 127 Ca -0.08 0.62 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 2dfu n HIS 127 Cb 0.50 -3.76 -0.12 0.00 1.12 0.00 0.00 29.99 27.73 2dfu n HIS 127 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dfu s VAL 128 N -3.49 4.21 0.61 1.59 1.01 -1.26 -5.02 120.40 118.05 2dfu s VAL 128 Ca 0.39 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2dfu s VAL 128 Cb -0.11 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2dfu s VAL 128 CO 0.82 0.38 1.15 -2.16 0.00 0.00 0.00 175.10 175.30 2dfu s PRO 129 N 1.27 2.96 0.26 2.72 0.04 -1.26 -4.38 135.00 136.61 2dfu s PRO 129 Ca 0.04 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2dfu s PRO 129 Cb -0.15 -1.95 0.55 0.00 0.04 0.00 0.00 34.50 32.99 2dfu s PRO 129 CO 0.02 -1.17 1.65 -1.35 0.04 0.00 0.00 177.00 176.20 2dfu h PRO 130 N 0.61 0.17 0.00 0.56 0.11 -1.93 -0.01 132.00 131.52 2dfu h PRO 130 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dfu h PRO 130 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dfu h PRO 130 CO 0.55 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 2dfu n GLU 131 N -5.26 0.16 0.00 1.05 0.00 -1.26 -1.87 120.64 113.45 2dfu n GLU 131 Ca 0.17 0.59 0.03 0.00 0.00 0.00 0.00 57.16 57.95 2dfu n GLU 131 Cb 0.55 -1.95 0.02 0.00 0.00 0.00 0.00 31.44 30.07 2dfu n GLU 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2dfu n LYS 132 N -2.27 0.49 0.03 3.44 5.02 -0.06 -4.77 118.16 120.03 2dfu n LYS 132 Ca -0.01 -0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 55.37 2dfu n LYS 132 Cb 0.08 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 2dfu n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dfu h ALA 133 N 1.26 0.02 0.00 7.82 0.00 -0.83 -2.99 119.26 124.54 2dfu h ALA 133 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dfu h ALA 133 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dfu h ALA 133 CO 0.00 -0.45 0.00 -0.07 0.00 0.00 0.00 179.25 178.73 2dfu h LEU 134 N -0.03 0.00 -1.28 0.00 3.38 -1.86 -1.67 115.31 113.85 2dfu h LEU 134 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dfu h LEU 134 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2dfu h LEU 134 CO -0.00 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.75 2dfu h ASP 135 N 0.00 0.00 -0.23 -0.43 3.58 -1.86 -2.35 116.42 115.12 2dfu h ASP 135 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dfu h ASP 135 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2dfu h ASP 135 CO 0.00 0.00 0.00 1.41 -2.88 0.00 0.00 179.24 177.77 2dfu n HIS 136 N -2.82 0.29 -3.24 0.28 8.25 -0.63 -4.87 115.22 112.48 2dfu n HIS 136 Ca 0.01 -0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 56.94 2dfu n HIS 136 Cb 0.27 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 2dfu n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dfu s VAL 137 N -1.71 5.11 -0.13 1.59 1.01 -0.89 0.59 120.40 125.98 2dfu s VAL 137 Ca 0.35 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2dfu s VAL 137 Cb 0.20 -3.88 -0.25 0.00 0.00 0.00 0.00 36.38 32.44 2dfu s VAL 137 CO 0.29 0.33 0.81 0.25 0.00 0.00 0.00 175.10 176.78 2dfu h LEU 138 N 6.49 -0.00 0.00 3.92 5.85 -1.32 -3.42 115.31 126.84 2dfu h LEU 138 Ca -0.42 -0.95 0.26 0.00 0.84 0.00 0.00 57.88 57.61 2dfu h LEU 138 Cb 1.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2dfu h LEU 138 CO 0.74 0.95 0.70 0.61 -0.34 0.00 0.00 178.44 181.11 2dfu n GLY 139 N 1.48 0.38 3.39 3.75 0.00 -1.10 -4.37 105.19 108.73 2dfu n GLY 139 Ca -0.10 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2dfu n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfu s TYR 140 N -2.31 2.40 0.17 1.61 1.51 0.37 -1.03 117.35 120.07 2dfu s TYR 140 Ca 0.24 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2dfu s TYR 140 Cb -0.01 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2dfu s TYR 140 CO 0.01 0.22 0.15 -2.37 -1.11 0.00 0.00 175.55 172.45 2dfu n THR 141 N 1.49 0.00 -4.33 -0.71 5.66 -0.01 -0.06 114.28 116.33 2dfu n THR 141 Ca -0.17 -1.16 -0.30 0.00 -3.05 0.00 0.00 64.05 59.37 2dfu n THR 141 Cb 0.52 0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 69.79 2dfu n THR 141 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dfu s VAL 142 N -2.66 3.07 0.07 1.08 1.01 -0.86 -0.40 120.40 121.70 2dfu s VAL 142 Ca 0.19 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 2dfu s VAL 142 Cb 0.01 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2dfu s VAL 142 CO 0.14 0.15 0.08 0.00 0.00 0.00 0.00 175.10 175.46 2dfu s ALA 143 N -1.14 0.12 -0.27 5.51 0.00 -0.82 -1.27 121.76 123.90 2dfu s ALA 143 Ca 0.19 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2dfu s ALA 143 Cb -0.11 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.45 2dfu s ALA 143 CO 0.11 -0.43 -0.02 0.08 0.00 0.00 0.00 175.76 175.50 2dfu s VAL 144 N -3.77 1.69 -0.87 0.00 1.01 -0.93 -1.17 120.40 116.34 2dfu s VAL 144 Ca 0.05 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 2dfu s VAL 144 Cb 0.06 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2dfu s VAL 144 CO -0.10 -0.26 1.44 -0.62 0.00 0.00 0.00 175.10 175.56 2dfu s ASP 145 N 1.28 6.19 0.23 3.32 2.15 -0.06 -3.61 116.67 126.16 2dfu s ASP 145 Ca -0.01 -0.87 -0.30 0.00 0.43 0.00 0.00 52.55 51.80 2dfu s ASP 145 Cb -0.19 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.78 2dfu s ASP 145 CO -0.09 -1.79 1.19 -0.63 -0.17 0.00 0.00 175.17 173.69 2dfu s ILE 146 N 5.91 3.41 -0.00 4.11 -1.09 -0.77 -3.15 121.20 129.62 2dfu s ILE 146 Ca 0.45 1.27 0.02 0.00 -2.23 0.00 0.00 60.65 60.15 2dfu s ILE 146 Cb -0.05 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2dfu s ILE 146 CO 0.03 0.24 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.04 2dfu s THR 147 N -0.47 0.41 -0.66 2.92 2.01 -0.36 -4.63 115.64 114.86 2dfu s THR 147 Ca 0.50 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 2dfu s THR 147 Cb -0.34 -0.35 0.17 0.00 0.01 0.00 0.00 72.50 72.00 2dfu s THR 147 CO 0.40 0.12 0.51 0.00 -0.69 0.00 0.00 174.62 174.95 2dfu s ALA 148 N -0.09 3.68 0.42 7.40 0.00 -0.53 0.59 121.76 133.24 2dfu s ALA 148 Ca 0.02 -3.20 0.08 0.00 0.00 0.00 0.00 51.96 48.85 2dfu s ALA 148 Cb -0.02 -2.88 0.90 0.00 0.00 0.00 0.00 23.12 21.12 2dfu s ALA 148 CO -0.00 -2.12 2.06 0.00 0.00 0.00 0.00 175.76 175.70 2dfu h ARG 149 N 7.34 0.48 -0.53 0.00 2.47 -1.36 -2.30 114.38 120.48 2dfu h ARG 149 Ca -0.00 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 2dfu h ARG 149 Cb 0.98 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 2dfu h ARG 149 CO 0.73 0.33 -0.05 0.38 0.56 0.00 0.00 179.97 181.91 2dfu h ASP 150 N 0.50 0.96 1.56 7.04 2.03 -1.93 -2.94 116.42 123.63 2dfu h ASP 150 Ca 0.13 -0.33 -0.07 0.00 -0.73 0.00 0.00 57.03 56.03 2dfu h ASP 150 Cb -0.05 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.18 2dfu h ASP 150 CO -0.03 1.06 -0.45 -0.37 -1.03 0.00 0.00 179.24 178.42 2dfu h VAL 151 N 0.84 0.55 0.00 4.15 -1.51 -1.87 -3.21 116.25 115.19 2dfu h VAL 151 Ca 0.14 -1.79 -0.00 0.00 -1.23 0.00 0.00 66.70 63.82 2dfu h VAL 151 Cb 0.60 2.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2dfu h VAL 151 CO 0.04 0.31 -0.02 -0.61 -1.23 0.00 0.00 177.57 176.06 2dfu h GLN 152 N 0.00 0.00 0.00 5.19 4.15 -1.23 -0.46 115.11 122.76 2dfu h GLN 152 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2dfu h GLN 152 Cb 1.27 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 2dfu h GLN 152 CO 0.04 0.02 -1.56 1.63 -1.93 0.00 0.00 178.83 177.03 2dfu n LYS 153 N -3.22 0.63 -0.00 1.69 5.02 -1.19 -4.51 118.16 116.58 2dfu n LYS 153 Ca -0.02 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 2dfu n LYS 153 Cb 0.14 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 2dfu n LYS 153 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dfu n LYS 154 N -2.74 1.34 -1.77 1.97 -0.00 -0.93 -5.02 118.16 111.01 2dfu n LYS 154 Ca -0.10 -0.07 -0.31 0.00 -0.00 0.00 0.00 58.31 57.82 2dfu n LYS 154 Cb 0.79 -1.22 0.03 0.00 -0.00 0.00 0.00 35.03 34.63 2dfu n LYS 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dfu s ASP 155 N -2.97 5.83 0.11 -5.58 1.01 -0.23 -4.97 116.67 109.88 2dfu s ASP 155 Ca -0.01 1.55 -0.21 0.00 0.71 0.00 0.00 52.55 54.58 2dfu s ASP 155 Cb 0.09 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 2dfu s ASP 155 CO 0.52 -1.14 1.72 0.25 0.21 0.00 0.00 175.17 176.72 2dfu h LEU 156 N -0.39 -0.13 -8.56 1.23 6.46 -1.95 -3.45 115.31 108.52 2dfu h LEU 156 Ca -0.44 0.04 -0.23 0.00 -0.12 0.00 0.00 57.88 57.12 2dfu h LEU 156 Cb 1.20 0.08 -0.15 0.00 -0.73 0.00 0.00 40.66 41.06 2dfu h LEU 156 CO 0.59 -0.05 -0.63 -1.10 -0.62 0.00 0.00 178.44 176.63 2dfu s GLN 157 N -6.20 1.10 0.00 1.25 -1.52 -1.26 -5.05 119.66 107.99 2dfu s GLN 157 Ca -0.13 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 51.72 2dfu s GLN 157 Cb 0.09 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 33.04 2dfu s GLN 157 CO 0.68 -0.31 0.82 0.91 -0.25 0.00 0.00 175.29 177.14 2dfu n TRP 158 N -0.22 0.00 0.40 0.91 8.01 -1.26 -4.40 117.44 120.88 2dfu n TRP 158 Ca -0.02 -0.41 -0.18 0.00 -1.31 0.00 0.00 57.50 55.58 2dfu n TRP 158 Cb 0.65 -0.23 -0.09 0.00 -2.01 0.00 0.00 31.31 29.63 2dfu n TRP 158 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2dfu h VAL 159 N 0.32 0.21 0.00 -0.99 2.07 -1.97 0.13 116.25 116.02 2dfu h VAL 159 Ca 0.00 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 2dfu h VAL 159 Cb 0.76 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2dfu h VAL 159 CO 0.00 0.01 -0.56 -0.09 0.02 0.00 0.00 177.57 176.95 2dfu h ARG 160 N -1.09 0.00 -0.09 1.57 2.43 -1.91 0.32 114.38 115.61 2dfu h ARG 160 Ca -0.10 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 2dfu h ARG 160 Cb 0.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2dfu h ARG 160 CO 0.17 0.56 -0.59 0.00 -1.51 0.00 0.00 179.97 178.61 2dfu h ALA 161 N 1.44 0.84 0.00 2.80 0.00 -1.80 -3.36 119.26 119.19 2dfu h ALA 161 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2dfu h ALA 161 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dfu h ALA 161 CO 0.07 0.71 -0.60 1.63 0.00 0.00 0.00 179.25 181.06 2dfu n LYS 162 N -3.89 2.36 -0.34 0.00 4.76 0.44 -1.45 118.16 120.03 2dfu n LYS 162 Ca -0.02 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.49 2dfu n LYS 162 Cb 0.61 -0.78 0.19 0.00 -1.84 0.00 0.00 35.03 33.21 2dfu n LYS 162 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dfu n SER 163 N -1.15 2.74 -4.73 4.39 2.88 0.11 -4.82 113.62 113.05 2dfu n SER 163 Ca 0.00 -3.26 -0.30 0.00 -1.33 0.00 0.00 58.87 53.98 2dfu n SER 163 Cb 0.00 -0.50 0.13 0.00 -0.75 0.00 0.00 64.21 63.09 2dfu n SER 163 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dfu s ALA 164 N -2.96 1.67 0.28 -1.46 0.00 -1.23 -4.56 121.76 113.50 2dfu s ALA 164 Ca 0.37 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 2dfu s ALA 164 Cb 0.33 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 20.12 2dfu s ALA 164 CO 0.03 -2.25 1.29 -0.25 0.00 0.00 0.00 175.76 174.58 2dfu n ASP 165 N -3.81 2.42 0.00 0.00 8.00 -1.26 -2.25 116.55 119.65 2dfu n ASP 165 Ca 0.07 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2dfu n ASP 165 Cb 0.55 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2dfu n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dfu n LYS 166 N 1.31 -1.44 0.00 -1.24 4.76 -0.96 -4.81 118.16 115.77 2dfu n LYS 166 Ca 0.09 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 2dfu n LYS 166 Cb 0.33 -4.45 0.00 0.00 -1.84 0.00 0.00 35.03 29.07 2dfu n LYS 166 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2dfu n PHE 167 N -2.27 0.00 -3.15 2.13 3.01 -0.73 -4.14 117.46 112.31 2dfu n PHE 167 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 2dfu n PHE 167 Cb 0.36 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 2dfu n PHE 167 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2dfu n LEU 168 N -0.23 -0.91 -4.75 4.37 7.94 0.22 -1.85 117.00 121.80 2dfu n LEU 168 Ca 0.00 -4.18 -0.41 0.00 -1.11 0.00 0.00 56.01 50.30 2dfu n LEU 168 Cb 0.07 0.65 -0.02 0.00 0.53 0.00 0.00 43.42 44.65 2dfu n LEU 168 CO 0.00 1.97 1.14 -2.84 -1.11 0.00 0.00 177.39 176.56 2dfu s PRO 169 N -0.26 4.22 -0.06 1.96 0.02 -1.24 -1.88 135.00 137.76 2dfu s PRO 169 Ca 0.33 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.71 2dfu s PRO 169 Cb 0.11 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.59 2dfu s PRO 169 CO -0.15 -0.48 0.14 -1.17 -0.33 0.00 0.00 177.00 175.01 2dfu s LEU 170 N -0.55 1.00 0.00 -5.54 2.96 -0.97 -2.20 118.68 113.39 2dfu s LEU 170 Ca 0.60 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2dfu s LEU 170 Cb -0.44 0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.65 2dfu s LEU 170 CO 0.46 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 2dfu n GLY 171 N 3.76 0.15 0.21 7.98 0.00 -0.40 -3.93 105.19 112.96 2dfu n GLY 171 Ca -0.21 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.51 2dfu n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dfu h PRO 172 N 0.00 0.00 0.00 1.61 0.13 -1.85 -2.30 132.00 129.60 2dfu h PRO 172 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2dfu h PRO 172 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dfu h PRO 172 CO 0.00 0.21 0.29 -2.67 -0.23 0.00 0.00 178.00 175.60 2dfu n TRP 173 N -3.23 -2.00 -4.31 1.56 2.14 -1.26 -4.74 117.44 105.61 2dfu n TRP 173 Ca 0.02 -1.49 -0.29 0.00 2.07 0.00 0.00 57.50 57.81 2dfu n TRP 173 Cb 0.53 0.74 -0.11 0.00 -0.81 0.00 0.00 31.31 31.66 2dfu n TRP 173 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2dfu s LEU 174 N 0.00 2.72 -0.17 5.67 0.05 -0.20 -4.45 118.68 122.31 2dfu s LEU 174 Ca 0.15 -0.58 -0.04 0.00 0.05 0.00 0.00 54.13 53.71 2dfu s LEU 174 Cb -0.04 -1.54 -0.03 0.00 -2.05 0.00 0.00 46.19 42.54 2dfu s LEU 174 CO 0.09 0.17 -0.03 -0.70 -0.55 0.00 0.00 176.35 175.33 2dfu s GLU 175 N -2.26 3.65 0.24 1.48 2.56 0.91 -0.72 118.70 124.56 2dfu s GLU 175 Ca 0.19 -0.52 0.18 0.00 0.00 0.00 0.00 54.97 54.82 2dfu s GLU 175 Cb -0.10 -2.95 0.06 0.00 2.00 0.00 0.00 34.13 33.13 2dfu s GLU 175 CO 0.11 0.18 1.25 1.79 -0.56 0.00 0.00 175.26 178.03 2dfu h THR 176 N 5.21 0.44 -3.79 -1.70 1.35 -1.53 0.11 112.91 113.00 2dfu h THR 176 Ca -0.32 -1.70 -0.68 0.00 -0.55 0.00 0.00 66.41 63.16 2dfu h THR 176 Cb 1.19 2.07 -0.35 0.00 -1.73 0.00 0.00 68.15 69.33 2dfu h THR 176 CO 0.62 0.25 -0.74 -0.62 -0.25 0.00 0.00 175.52 174.79 2dfu s ASP 177 N -6.04 4.72 0.07 5.36 2.15 -1.26 -4.77 116.67 116.89 2dfu s ASP 177 Ca 0.02 -1.42 -0.26 0.00 0.43 0.00 0.00 52.55 51.32 2dfu s ASP 177 Cb 0.08 -1.64 0.09 0.00 -0.30 0.00 0.00 42.92 41.14 2dfu s ASP 177 CO 0.76 -0.25 0.77 -0.22 -0.17 0.00 0.00 175.17 176.06 2dfu s LEU 178 N 1.16 -0.44 -0.45 -1.34 2.96 -1.26 -4.79 118.68 114.52 2dfu s LEU 178 Ca -0.05 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2dfu s LEU 178 Cb -0.20 2.27 0.11 0.00 0.50 0.00 0.00 46.19 48.87 2dfu s LEU 178 CO -0.03 -0.78 0.30 0.21 -1.32 0.00 0.00 176.35 174.73 2dfu s ASN 179 N -2.60 5.57 0.47 3.68 3.84 -1.26 -4.97 114.94 119.67 2dfu s ASN 179 Ca 0.04 -1.91 0.23 0.00 0.21 0.00 0.00 52.86 51.42 2dfu s ASN 179 Cb -0.01 -1.96 1.25 0.00 -0.55 0.00 0.00 41.25 39.98 2dfu s ASN 179 CO -0.10 -0.64 1.90 1.55 -2.79 0.00 0.00 177.10 177.02 2dfu h PRO 180 N 8.33 0.22 -0.21 0.43 0.13 -1.99 -1.00 132.00 137.90 2dfu h PRO 180 Ca -0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2dfu h PRO 180 Cb 1.07 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2dfu h PRO 180 CO 0.81 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 179.76 2dfu n GLN 181 N -4.41 1.60 -3.19 0.86 1.13 -1.26 -4.32 117.38 107.79 2dfu n GLN 181 Ca 0.17 -0.92 -0.20 0.00 -1.94 0.00 0.00 57.00 54.10 2dfu n GLN 181 Cb 0.74 -1.28 -0.04 0.00 0.11 0.00 0.00 30.24 29.76 2dfu n GLN 181 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2dfu n ASP 182 N 0.20 0.68 -3.88 1.08 2.03 -0.38 -2.36 116.55 113.92 2dfu n ASP 182 Ca 0.12 -2.91 -0.09 0.00 0.52 0.00 0.00 54.79 52.43 2dfu n ASP 182 Cb 0.25 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.96 2dfu n ASP 182 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dfu s THR 183 N -2.01 0.07 -0.01 5.18 -1.32 -1.26 -4.81 115.64 111.47 2dfu s THR 183 Ca 0.38 -1.17 0.03 0.00 -1.21 0.00 0.00 61.69 59.72 2dfu s THR 183 Cb 0.28 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.57 2dfu s THR 183 CO -0.09 -0.30 -0.06 0.26 -2.21 0.00 0.00 174.62 172.21 2dfu s TRP 184 N -3.92 2.91 -0.24 9.09 0.52 -1.26 -1.41 118.94 124.62 2dfu s TRP 184 Ca 0.13 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.25 2dfu s TRP 184 Cb 0.02 -1.63 0.05 0.00 -1.15 0.00 0.00 33.47 30.76 2dfu s TRP 184 CO -0.03 0.37 -0.13 0.08 0.02 0.00 0.00 176.95 177.26 2dfu s VAL 185 N -0.96 2.21 -0.13 4.03 1.01 -0.20 -2.15 120.40 124.21 2dfu s VAL 185 Ca 0.16 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2dfu s VAL 185 Cb -0.11 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.08 2dfu s VAL 185 CO 0.06 0.13 -0.22 -0.13 0.00 0.00 0.00 175.10 174.94 2dfu s ARG 186 N 1.17 3.02 -0.17 2.72 0.52 -0.18 -1.77 118.95 124.24 2dfu s ARG 186 Ca -0.05 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.26 2dfu s ARG 186 Cb -0.18 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 2dfu s ARG 186 CO -0.07 0.04 -0.02 0.99 0.02 0.00 0.00 175.30 176.26 2dfu s THR 187 N 0.67 3.91 -0.11 0.02 2.01 -0.64 -0.62 115.64 120.87 2dfu s THR 187 Ca -0.11 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2dfu s THR 187 Cb -0.16 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 2dfu s THR 187 CO 0.01 0.47 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.92 2dfu s TYR 188 N 0.63 2.68 -0.32 4.92 1.51 0.16 -0.95 117.35 125.99 2dfu s TYR 188 Ca -0.02 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 2dfu s TYR 188 Cb -0.14 -1.76 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2dfu s TYR 188 CO 0.02 -0.26 0.03 0.08 -1.11 0.00 0.00 175.55 174.31 2dfu s VAL 189 N 0.23 2.92 -1.08 0.71 1.01 0.11 -0.92 120.40 123.38 2dfu s VAL 189 Ca -0.12 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.22 2dfu s VAL 189 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2dfu s VAL 189 CO 0.06 -0.24 0.94 0.59 0.00 0.00 0.00 175.10 176.45 2dfu n ASN 190 N 4.58 -4.63 0.00 3.32 3.02 0.63 -2.40 115.26 119.78 2dfu n ASN 190 Ca -0.10 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2dfu n ASN 190 Cb 0.43 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 2dfu n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dfu n GLY 191 N -1.57 2.91 3.72 7.41 0.00 -1.26 -5.00 105.19 111.39 2dfu n GLY 191 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2dfu n GLY 191 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dfu s THR 192 N -1.82 5.19 -0.04 2.61 2.01 -1.01 -5.01 115.64 117.58 2dfu s THR 192 Ca 0.00 0.93 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 2dfu s THR 192 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2dfu s THR 192 CO 0.00 0.32 1.48 -0.22 -0.69 0.00 0.00 174.62 175.52 2dfu s LEU 193 N 0.64 4.30 -0.01 4.42 2.96 -1.26 0.04 118.68 129.77 2dfu s LEU 193 Ca 0.25 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 2dfu s LEU 193 Cb -0.15 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2dfu s LEU 193 CO 0.10 -0.81 0.02 0.54 -1.32 0.00 0.00 176.35 174.88 2dfu n ARG 194 N 6.17 2.12 -4.12 1.98 5.12 -0.12 -4.92 116.66 122.89 2dfu n ARG 194 Ca 0.15 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.91 2dfu n ARG 194 Cb 0.43 -1.04 -0.12 0.00 -1.16 0.00 0.00 32.46 30.58 2dfu n ARG 194 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2dfu s GLN 195 N -2.07 0.64 -0.28 5.56 -0.21 -0.99 -4.56 119.66 117.75 2dfu s GLN 195 Ca -0.01 -0.80 -0.16 0.00 0.02 0.00 0.00 55.36 54.41 2dfu s GLN 195 Cb 0.01 -0.51 0.10 0.00 1.00 0.00 0.00 33.01 33.61 2dfu s GLN 195 CO 0.06 0.11 0.79 -2.00 -2.12 0.00 0.00 175.29 172.13 2dfu s GLU 196 N -1.54 0.60 -0.10 2.91 2.12 -1.25 -1.63 118.70 119.82 2dfu s GLU 196 Ca -0.06 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 2dfu s GLU 196 Cb -0.09 0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.50 2dfu s GLU 196 CO 0.01 -0.12 0.75 0.20 -0.54 0.00 0.00 175.26 175.56 2dfu s GLY 197 N 1.49 -0.51 -0.20 -1.50 0.00 -0.73 -4.66 107.32 101.21 2dfu s GLY 197 Ca -0.09 1.55 -0.09 0.00 0.00 0.00 0.00 44.72 46.09 2dfu s GLY 197 CO -0.18 1.07 0.10 -1.58 0.00 0.00 0.00 173.10 172.51 2dfu s HIS 198 N -1.00 3.30 -1.09 1.90 2.46 -1.26 -1.04 115.29 118.57 2dfu s HIS 198 Ca -0.08 0.14 0.06 0.00 0.47 0.00 0.00 55.06 55.65 2dfu s HIS 198 Cb -0.01 -2.14 0.26 0.00 -0.13 0.00 0.00 32.58 30.56 2dfu s HIS 198 CO 0.07 0.15 1.16 0.25 -2.47 0.00 0.00 174.74 173.90 2dfu n THR 199 N 3.74 1.46 0.52 0.89 -2.24 -0.50 -1.18 114.28 116.97 2dfu n THR 199 Ca -0.16 0.37 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2dfu n THR 199 Cb 0.52 -1.26 0.43 0.00 -2.10 0.00 0.00 70.33 67.92 2dfu n THR 199 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dfu n SER 200 N -1.46 0.41 -0.92 3.42 3.41 -1.00 -2.27 113.62 115.21 2dfu n SER 200 Ca 0.02 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2dfu n SER 200 Cb 0.06 -0.68 0.22 0.00 -0.26 0.00 0.00 64.21 63.55 2dfu n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dfu n GLN 201 N -1.93 2.20 -2.07 4.33 1.13 -0.33 -4.94 117.38 115.77 2dfu n GLN 201 Ca 0.03 -1.77 -0.42 0.00 -1.94 0.00 0.00 57.00 52.91 2dfu n GLN 201 Cb 0.25 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 2dfu n GLN 201 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2dfu s MET 202 N -1.38 4.29 0.14 -1.09 -1.94 -0.96 -4.60 119.30 113.75 2dfu s MET 202 Ca 0.33 2.22 -0.14 0.00 -1.71 0.00 0.00 55.69 56.38 2dfu s MET 202 Cb 0.17 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.85 2dfu s MET 202 CO 0.22 -0.44 1.62 0.82 -0.01 0.00 0.00 175.02 177.22 2dfu h ILE 203 N 3.88 1.24 -3.26 2.53 2.04 -1.04 -3.41 117.51 119.50 2dfu h ILE 203 Ca -0.44 -0.89 -0.67 0.00 1.00 0.00 0.00 64.86 63.86 2dfu h ILE 203 Cb 1.21 0.96 -0.34 0.00 -0.74 0.00 0.00 36.82 37.92 2dfu h ILE 203 CO 0.83 0.31 -0.87 -0.36 0.00 0.00 0.00 178.15 178.06 2dfu s PHE 204 N -5.20 2.60 0.81 1.37 0.08 -1.26 -5.11 117.98 111.27 2dfu s PHE 204 Ca -0.13 -1.21 -0.11 0.00 0.12 0.00 0.00 56.93 55.60 2dfu s PHE 204 Cb 0.11 -1.76 0.08 0.00 -0.57 0.00 0.00 43.02 40.87 2dfu s PHE 204 CO 0.79 -0.53 1.09 -1.54 -0.10 0.00 0.00 175.22 174.93 2dfu s SER 205 N 0.63 4.30 0.17 1.36 1.04 -1.26 -4.78 113.70 115.16 2dfu s SER 205 Ca -0.12 1.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.68 2dfu s SER 205 Cb -0.16 -2.24 0.14 0.00 0.10 0.00 0.00 66.02 63.86 2dfu s SER 205 CO 0.02 -2.12 1.71 0.58 0.98 0.00 0.00 173.24 174.41 2dfu h VAL 206 N -1.19 0.71 -0.71 5.02 2.07 -1.96 0.32 116.25 120.51 2dfu h VAL 206 Ca -0.47 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.06 2dfu h VAL 206 Cb 1.26 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2dfu h VAL 206 CO 0.56 0.03 0.40 0.00 0.02 0.00 0.00 177.57 178.58 2dfu h ALA 207 N 1.36 0.97 -0.38 1.67 0.00 -1.92 -0.17 119.26 120.80 2dfu h ALA 207 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2dfu h ALA 207 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dfu h ALA 207 CO -0.32 0.07 -0.27 0.93 0.00 0.00 0.00 179.25 179.66 2dfu h GLU 208 N 0.73 0.80 0.32 0.00 5.08 -1.62 -1.71 114.58 118.17 2dfu h GLU 208 Ca 0.32 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2dfu h GLU 208 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2dfu h GLU 208 CO -0.20 0.98 -0.15 0.82 -1.00 0.00 0.00 179.01 179.46 2dfu h ILE 209 N 0.68 0.70 -0.92 3.13 2.04 -0.19 -0.08 117.51 122.89 2dfu h ILE 209 Ca 0.08 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2dfu h ILE 209 Cb 0.80 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2dfu h ILE 209 CO 0.07 0.04 0.61 -0.07 0.00 0.00 0.00 178.15 178.80 2dfu h LEU 210 N -0.54 1.06 -0.18 1.44 3.38 -1.05 -1.73 115.31 117.68 2dfu h LEU 210 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2dfu h LEU 210 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2dfu h LEU 210 CO 0.07 0.77 0.10 -1.28 0.09 0.00 0.00 178.44 178.19 2dfu h SER 211 N 1.24 0.23 0.15 -0.43 0.87 -1.18 -1.72 113.55 112.72 2dfu h SER 211 Ca 0.34 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2dfu h SER 211 Cb -0.14 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2dfu h SER 211 CO -0.07 0.26 -0.25 0.22 -0.53 0.00 0.00 176.83 176.46 2dfu h TYR 212 N 0.18 -0.66 -0.55 2.24 3.20 -0.64 -2.61 116.97 118.13 2dfu h TYR 212 Ca 0.06 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.04 2dfu h TYR 212 Cb 0.08 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 2dfu h TYR 212 CO -0.04 -0.35 0.10 0.82 -1.64 0.00 0.00 178.16 177.05 2dfu h ILE 213 N -0.47 0.66 0.00 1.81 2.04 -1.23 -0.89 117.51 119.43 2dfu h ILE 213 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2dfu h ILE 213 Cb 0.48 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2dfu h ILE 213 CO -0.12 0.04 0.01 -1.54 0.00 0.00 0.00 178.15 176.55 2dfu n SER 214 N -5.14 0.38 0.20 1.72 3.41 -0.65 -0.65 113.62 112.89 2dfu n SER 214 Ca 0.07 0.67 0.07 0.00 -0.26 0.00 0.00 58.87 59.42 2dfu n SER 214 Cb 0.29 -0.72 0.38 0.00 -0.26 0.00 0.00 64.21 63.90 2dfu n SER 214 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2dfu h THR 215 N 0.00 0.76 0.00 6.66 1.35 -1.01 0.33 112.91 121.00 2dfu h THR 215 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2dfu h THR 215 Cb 0.02 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2dfu h THR 215 CO 0.00 0.31 -0.22 2.22 -0.25 0.00 0.00 175.52 177.58 2dfu n PHE 216 N -3.48 0.00 -3.87 4.73 1.16 -0.92 -4.84 117.46 110.24 2dfu n PHE 216 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.32 2dfu n PHE 216 Cb 0.48 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.18 2dfu n PHE 216 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2dfu s MET 217 N -0.52 1.30 0.08 3.97 0.00 0.18 -5.12 119.30 119.18 2dfu s MET 217 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 55.69 55.18 2dfu s MET 217 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 34.83 33.27 2dfu s MET 217 CO 0.00 -0.30 1.22 0.99 0.00 0.00 0.00 175.02 176.93 2dfu s THR 218 N 1.76 3.91 -0.22 10.11 2.01 -1.26 -3.50 115.64 128.44 2dfu s THR 218 Ca 0.04 1.39 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2dfu s THR 218 Cb -0.13 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2dfu s THR 218 CO -0.08 0.12 0.23 -0.76 -0.69 0.00 0.00 174.62 173.44 2dfu s LEU 219 N 0.97 4.14 0.40 4.42 1.43 -0.21 -4.93 118.68 124.89 2dfu s LEU 219 Ca 0.59 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 2dfu s LEU 219 Cb -0.31 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 2dfu s LEU 219 CO 0.30 0.03 0.71 -1.61 0.23 0.00 0.00 176.35 176.01 2dfu s GLU 220 N 1.08 3.66 0.26 1.70 0.41 -1.26 -0.48 118.70 124.08 2dfu s GLU 220 Ca 0.11 0.25 -0.31 0.00 -0.41 0.00 0.00 54.97 54.61 2dfu s GLU 220 Cb -0.14 -2.46 -0.13 0.00 -1.78 0.00 0.00 34.13 29.63 2dfu s GLU 220 CO 0.05 -0.02 1.48 -2.30 -0.49 0.00 0.00 175.26 173.98 2dfu n PRO 221 N -1.52 2.31 -0.98 0.39 -0.02 -1.26 -1.57 135.00 132.35 2dfu n PRO 221 Ca 0.01 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2dfu n PRO 221 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2dfu n PRO 221 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dfu n LEU 222 N 2.13 0.11 -4.77 2.45 4.77 0.10 -4.81 117.00 116.98 2dfu n LEU 222 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 2dfu n LEU 222 Cb 0.34 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2dfu n LEU 222 CO 0.63 -0.09 0.74 -1.81 -1.33 0.00 0.00 177.39 175.53 2dfu s ASP 223 N -2.32 5.08 -0.10 -1.43 1.01 -0.61 -2.86 116.67 115.44 2dfu s ASP 223 Ca 0.00 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.24 2dfu s ASP 223 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2dfu s ASP 223 CO 0.00 -1.65 -0.09 -0.69 0.21 0.00 0.00 175.17 172.94 2dfu s VAL 224 N -2.39 3.45 -0.13 -1.27 1.01 -1.14 -1.32 120.40 118.60 2dfu s VAL 224 Ca 0.66 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2dfu s VAL 224 Cb -0.20 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2dfu s VAL 224 CO 0.43 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 175.24 2dfu s VAL 225 N -0.26 1.61 -0.05 2.92 1.01 0.42 -1.41 120.40 124.65 2dfu s VAL 225 Ca 0.03 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2dfu s VAL 225 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2dfu s VAL 225 CO 0.03 0.46 0.64 -0.76 0.00 0.00 0.00 175.10 175.47 2dfu s LEU 226 N 1.21 4.35 0.00 3.92 1.02 0.43 -0.47 118.68 129.14 2dfu s LEU 226 Ca -0.01 1.14 0.22 0.00 0.02 0.00 0.00 54.13 55.51 2dfu s LEU 226 Cb -0.14 -2.99 0.78 0.00 0.02 0.00 0.00 46.19 43.87 2dfu s LEU 226 CO -0.06 -0.02 1.57 0.35 0.02 0.00 0.00 176.35 178.21 2dfu n THR 227 N 3.37 0.18 0.00 5.49 -2.24 -1.03 -1.82 114.28 118.24 2dfu n THR 227 Ca -0.04 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2dfu n THR 227 Cb 0.51 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2dfu n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dfu n GLY 228 N 1.15 2.32 3.41 3.38 0.00 -1.26 -4.79 105.19 109.41 2dfu n GLY 228 Ca 0.17 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 2dfu n GLY 228 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dfu s THR 229 N -2.83 2.66 0.00 2.61 -1.32 -1.26 -4.44 115.64 111.06 2dfu s THR 229 Ca 0.00 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2dfu s THR 229 Cb 0.00 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 2dfu s THR 229 CO 0.00 0.57 0.00 -0.81 -2.21 0.00 0.00 174.62 172.17 2dfu n PRO 230 N 2.30 -0.50 -3.07 7.08 -0.04 -1.26 -4.57 135.00 134.94 2dfu n PRO 230 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 2dfu n PRO 230 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2dfu n PRO 230 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dfu s GLU 231 N -2.30 4.26 0.00 0.54 2.12 -1.26 -4.47 118.70 117.58 2dfu s GLU 231 Ca 0.00 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2dfu s GLU 231 Cb 0.00 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2dfu s GLU 231 CO 0.00 0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 2dfu n GLY 232 N 0.56 0.61 3.68 -1.50 0.00 -1.26 -4.15 105.19 103.13 2dfu n GLY 232 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 2dfu n GLY 232 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dfu n VAL 233 N 0.00 0.56 -4.26 1.61 0.31 -1.26 -4.68 118.33 110.61 2dfu n VAL 233 Ca 0.00 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 2dfu n VAL 233 Cb 0.00 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.05 2dfu n VAL 233 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dfu n GLY 234 N 4.49 3.87 3.94 2.92 0.00 -1.26 -5.00 105.19 114.16 2dfu n GLY 234 Ca 0.23 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 2dfu n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfu s ALA 235 N -2.38 3.63 0.14 4.61 0.00 -1.26 -3.01 121.76 123.49 2dfu s ALA 235 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2dfu s ALA 235 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2dfu s ALA 235 CO 0.02 -0.50 -0.18 -0.51 0.00 0.00 0.00 175.76 174.60 2dfu s LEU 236 N -4.68 2.39 0.08 0.00 1.43 0.31 -4.86 118.68 113.34 2dfu s LEU 236 Ca 0.50 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2dfu s LEU 236 Cb -0.10 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 2dfu s LEU 236 CO 0.40 -0.03 -0.14 -0.13 0.23 0.00 0.00 176.35 176.68 2dfu s ARG 237 N -2.51 0.83 0.27 1.70 1.81 -1.26 -4.68 118.95 115.12 2dfu s ARG 237 Ca 0.12 -0.98 -0.29 0.00 -1.72 0.00 0.00 55.73 52.85 2dfu s ARG 237 Cb -0.07 -0.82 -0.14 0.00 -0.45 0.00 0.00 34.95 33.47 2dfu s ARG 237 CO 0.05 0.18 1.15 -2.30 -0.68 0.00 0.00 175.30 173.70 2dfu n PRO 238 N 1.20 1.58 0.00 3.54 -0.02 -1.26 -1.36 135.00 138.68 2dfu n PRO 238 Ca -0.21 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2dfu n PRO 238 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2dfu n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfu n GLY 239 N 1.39 3.04 3.64 -1.23 0.00 0.33 -4.96 105.19 107.40 2dfu n GLY 239 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2dfu n GLY 239 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfu n ASP 240 N 0.00 1.83 -4.31 1.61 9.92 -0.46 -4.66 116.55 120.47 2dfu n ASP 240 Ca 0.00 1.14 -0.34 0.00 -0.53 0.00 0.00 54.79 55.06 2dfu n ASP 240 Cb 0.00 -1.38 -0.14 0.00 -0.64 0.00 0.00 41.12 38.95 2dfu n ASP 240 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2dfu s ARG 241 N -1.84 3.34 0.03 -1.24 0.52 -1.26 -1.01 118.95 117.48 2dfu s ARG 241 Ca 0.59 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 2dfu s ARG 241 Cb -0.60 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2dfu s ARG 241 CO 0.60 -0.02 -0.01 -0.51 0.02 0.00 0.00 175.30 175.38 2dfu s LEU 242 N 0.96 3.47 -0.13 2.53 1.02 0.66 -0.27 118.68 126.93 2dfu s LEU 242 Ca -0.01 -0.07 -0.04 0.00 0.02 0.00 0.00 54.13 54.03 2dfu s LEU 242 Cb -0.15 -2.05 0.05 0.00 0.02 0.00 0.00 46.19 44.06 2dfu s LEU 242 CO -0.01 0.25 0.12 -0.70 0.02 0.00 0.00 176.35 176.03 2dfu s GLU 243 N -1.77 0.04 -0.28 1.70 2.12 -0.10 -1.97 118.70 118.43 2dfu s GLU 243 Ca 0.21 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 2dfu s GLU 243 Cb -0.12 -1.10 0.05 0.00 0.26 0.00 0.00 34.13 33.22 2dfu s GLU 243 CO 0.12 -0.51 -0.04 0.08 -0.54 0.00 0.00 175.26 174.38 2dfu s VAL 244 N 2.20 2.81 -0.18 3.70 1.01 -0.31 0.38 120.40 130.01 2dfu s VAL 244 Ca 0.04 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 2dfu s VAL 244 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2dfu s VAL 244 CO -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 175.10 175.08 2dfu s ALA 245 N 1.24 3.44 -0.21 5.51 0.00 0.20 -0.44 121.76 131.50 2dfu s ALA 245 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2dfu s ALA 245 Cb -0.19 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.03 2dfu s ALA 245 CO -0.03 0.18 -0.09 0.08 0.00 0.00 0.00 175.76 175.90 2dfu s VAL 246 N 0.36 1.66 -0.01 0.00 1.01 -0.61 -1.02 120.40 121.80 2dfu s VAL 246 Ca 0.04 -1.12 -0.37 0.00 0.00 0.00 0.00 61.98 60.53 2dfu s VAL 246 Cb -0.12 -1.79 -0.16 0.00 0.00 0.00 0.00 36.38 34.31 2dfu s VAL 246 CO -0.00 0.09 1.52 -0.62 0.00 0.00 0.00 175.10 176.08 2dfu n GLU 247 N 4.66 1.36 -0.86 2.72 1.02 -0.92 -1.06 120.64 127.56 2dfu n GLU 247 Ca -0.14 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2dfu n GLU 247 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 2dfu n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dfu n GLY 248 N 3.22 0.93 0.95 0.62 0.00 -1.26 -4.64 105.19 105.01 2dfu n GLY 248 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 2dfu n GLY 248 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dfu n VAL 249 N -2.00 0.27 -2.82 1.61 0.31 -0.23 -4.87 118.33 110.60 2dfu n VAL 249 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2dfu n VAL 249 Cb 0.00 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2dfu n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dfu n GLY 250 N 3.38 -1.70 3.09 2.92 0.00 -1.01 -4.77 105.19 107.09 2dfu n GLY 250 Ca -0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 2dfu n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dfu s THR 251 N -2.74 1.69 -0.23 2.61 2.01 -1.26 -1.57 115.64 116.16 2dfu s THR 251 Ca 0.00 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 2dfu s THR 251 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2dfu s THR 251 CO 0.00 0.48 0.48 -0.22 -0.69 0.00 0.00 174.62 174.67 2dfu s LEU 252 N 0.96 4.10 -0.17 4.42 2.96 0.41 -4.33 118.68 127.03 2dfu s LEU 252 Ca -0.06 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2dfu s LEU 252 Cb -0.15 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 2dfu s LEU 252 CO -0.02 -0.20 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.41 2dfu s PHE 253 N 1.86 2.99 0.18 5.38 0.40 -1.26 -1.16 117.98 126.37 2dfu s PHE 253 Ca 0.21 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 2dfu s PHE 253 Cb -0.15 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2dfu s PHE 253 CO 0.09 -0.15 0.37 -0.08 0.70 0.00 0.00 175.22 176.15 2dfu s THR 254 N 0.60 0.05 0.11 0.64 -1.32 -0.83 -0.84 115.64 114.05 2dfu s THR 254 Ca -0.03 -1.18 -0.11 0.00 -1.21 0.00 0.00 61.69 59.17 2dfu s THR 254 Cb -0.14 -1.76 0.01 0.00 -1.51 0.00 0.00 72.50 69.10 2dfu s THR 254 CO 0.03 -0.23 0.26 -1.48 -2.21 0.00 0.00 174.62 170.98 2dfu s LEU 255 N -2.94 1.09 -0.12 9.08 2.34 -1.26 -0.24 118.68 126.63 2dfu s LEU 255 Ca 0.14 -0.61 -0.14 0.00 0.06 0.00 0.00 54.13 53.58 2dfu s LEU 255 Cb 0.02 1.27 -0.05 0.00 -0.56 0.00 0.00 46.19 46.87 2dfu s LEU 255 CO -0.01 -0.79 0.34 -0.63 -1.06 0.00 0.00 176.35 174.20 2dfu s ILE 256 N -3.86 5.25 0.73 1.48 -1.09 -0.18 -1.31 121.20 122.21 2dfu s ILE 256 Ca 0.06 0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 59.08 2dfu s ILE 256 Cb 0.04 -3.67 0.15 0.00 -1.58 0.00 0.00 42.46 37.41 2dfu s ILE 256 CO -0.09 0.43 0.99 0.61 -1.23 0.00 0.00 174.94 175.65 2dfu n GLY 257 N 2.98 -0.11 3.66 6.18 0.00 -0.09 -0.51 105.19 117.31 2dfu n GLY 257 Ca -0.12 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2dfu n GLY 257 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dfu s PRO 258 N -5.08 0.93 0.17 1.61 0.04 -1.26 -3.66 135.00 127.75 2dfu s PRO 258 Ca 0.62 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 2dfu s PRO 258 Cb -0.03 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2dfu s PRO 258 CO 0.42 -2.59 1.40 0.21 0.04 0.00 0.00 177.00 176.47 2dfu s LYS 259 N -4.71 4.32 0.41 4.56 2.47 -1.26 -2.99 119.74 122.54 2dfu s LYS 259 Ca 0.65 2.15 -0.04 0.00 -1.56 0.00 0.00 55.97 57.17 2dfu s LYS 259 Cb -0.21 -3.19 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 2dfu s LYS 259 CO 0.59 -0.40 0.69 -1.83 0.16 0.00 0.00 175.35 174.56 2dfu s GLU 260 N 0.43 3.57 0.00 4.03 -1.05 -0.90 -4.95 118.70 119.83 2dfu s GLU 260 Ca 0.62 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 2dfu s GLU 260 Cb -0.39 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 2dfu s GLU 260 CO 0.35 -0.04 0.00 0.39 0.95 0.00 0.00 175.26 176.91 2dfu n GLU 261 N -1.85 1.54 -1.70 -4.83 1.02 -1.26 -4.29 120.64 109.27 2dfu n GLU 261 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 2dfu n GLU 261 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.97 2dfu n GLU 261 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dfu n ARG 262 N -0.68 2.15 -0.27 3.49 1.85 -1.26 -4.76 116.66 117.18 2dfu n ARG 262 Ca 0.00 0.76 0.21 0.00 -1.00 0.00 0.00 57.85 57.81 2dfu n ARG 262 Cb 0.00 -2.35 0.52 0.00 -1.05 0.00 0.00 32.46 29.58 2dfu n ARG 262 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2dfu h PRO 263 N 2.55 0.37 0.00 2.89 0.13 -2.01 -3.53 132.00 132.40 2dfu h PRO 263 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dfu h PRO 263 Cb 1.28 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dfu h PRO 263 CO 0.62 0.25 0.00 -2.67 -0.23 0.00 0.00 178.00 175.97