#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whw s PRO 13 N 0.00 2.37 0.01 0.58 0.04 -1.26 -4.96 135.00 131.79 2whw s PRO 13 Ca 0.00 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 2whw s PRO 13 Cb 0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2whw s PRO 13 CO 0.00 -1.55 1.50 0.08 0.04 0.00 0.00 177.00 177.07 2whw s VAL 14 N -2.87 3.51 0.02 -0.36 1.01 -1.26 -4.88 120.40 115.57 2whw s VAL 14 Ca 0.61 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 2whw s VAL 14 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2whw s VAL 14 CO 0.55 -0.01 0.99 -0.22 0.00 0.00 0.00 175.10 176.40 2whw s LEU 15 N 2.69 4.39 -0.43 3.92 2.96 -1.14 -4.86 118.68 126.22 2whw s LEU 15 Ca 0.68 1.70 -0.17 0.00 -0.22 0.00 0.00 54.13 56.12 2whw s LEU 15 Cb -0.34 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.81 2whw s LEU 15 CO 0.28 -0.24 0.45 -0.62 -1.32 0.00 0.00 176.35 174.90 2whw s ASP 16 N 0.84 6.19 0.20 3.68 -1.08 -1.26 -0.29 116.67 124.95 2whw s ASP 16 Ca 0.52 -0.74 0.09 0.00 -0.52 0.00 0.00 52.55 51.90 2whw s ASP 16 Cb -0.22 -2.23 0.06 0.00 -1.46 0.00 0.00 42.92 39.08 2whw s ASP 16 CO 0.28 -0.61 1.44 -0.07 0.52 0.00 0.00 175.17 176.73 2whw h LEU 17 N 9.08 0.00 -1.15 -1.34 3.38 -1.42 -3.13 115.31 120.74 2whw h LEU 17 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2whw h LEU 17 Cb 1.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2whw h LEU 17 CO 0.81 0.80 0.58 1.23 0.09 0.00 0.00 178.44 181.95 2whw h GLY 18 N 2.56 1.27 0.69 0.83 0.00 -1.77 -2.83 103.07 103.82 2whw h GLY 18 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2whw h GLY 18 CO 0.10 0.36 0.00 0.00 0.00 0.00 0.00 176.54 177.01 2whw n ALA 19 N -2.40 1.72 0.03 3.60 0.00 -1.18 -4.38 120.51 117.90 2whw n ALA 19 Ca 0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 2whw n ALA 19 Cb 0.12 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2whw n ALA 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2whw h LEU 20 N 0.00 0.34 0.00 0.00 4.07 -1.70 -3.49 115.31 114.53 2whw h LEU 20 Ca 0.00 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.38 2whw h LEU 20 Cb 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2whw h LEU 20 CO 0.00 1.50 0.00 0.61 -1.08 0.00 0.00 178.44 179.47 2whw n GLY 21 N 1.75 -2.49 0.00 0.83 0.00 -1.26 -4.42 105.19 99.59 2whw n GLY 21 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2whw n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2whw n GLN 22 N -1.46 0.00 0.00 1.61 -0.06 -1.26 -3.85 117.38 112.36 2whw n GLN 22 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2whw n GLN 22 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2whw n GLN 22 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2whw n ASP 23 N 0.00 0.00 0.05 1.69 8.00 -1.26 -1.69 116.55 123.34 2whw n ASP 23 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2whw n ASP 23 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 2whw n ASP 23 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2whw h PHE 24 N 0.00 0.43 0.00 1.24 3.57 -1.77 -1.44 116.94 118.97 2whw h PHE 24 Ca 0.00 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.26 2whw h PHE 24 Cb 0.00 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2whw h PHE 24 CO 0.00 0.68 -0.65 0.00 -2.23 0.00 0.00 178.31 176.10 2whw h ALA 25 N 1.32 0.81 0.00 2.41 0.00 -1.69 -2.15 119.26 119.96 2whw h ALA 25 Ca 0.04 -0.59 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 2whw h ALA 25 Cb 0.77 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2whw h ALA 25 CO 0.06 0.82 -1.01 0.00 0.00 0.00 0.00 179.25 179.12 2whw h ALA 26 N 1.35 0.22 -1.82 0.00 0.00 -1.23 -3.43 119.26 114.35 2whw h ALA 26 Ca -0.01 -0.70 -0.41 0.00 0.00 0.00 0.00 54.91 53.78 2whw h ALA 26 Cb 1.24 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.76 2whw h ALA 26 CO 0.08 0.74 -0.78 0.34 0.00 0.00 0.00 179.25 179.63 2whw s ASP 27 N -7.21 0.27 0.37 0.00 2.15 -0.55 -4.99 116.67 106.72 2whw s ASP 27 Ca -0.08 -2.53 0.27 0.00 0.43 0.00 0.00 52.55 50.64 2whw s ASP 27 Cb 0.08 0.50 0.89 0.00 -0.30 0.00 0.00 42.92 44.09 2whw s ASP 27 CO 0.90 -0.12 1.78 1.55 -0.17 0.00 0.00 175.17 179.10 2whw h PRO 28 N 5.40 0.00 -0.53 4.34 0.13 -1.60 -3.39 132.00 136.35 2whw h PRO 28 Ca 0.18 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.39 2whw h PRO 28 Cb 0.99 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 2whw h PRO 28 CO 0.23 0.00 0.19 1.88 -0.23 0.00 0.00 178.00 180.07 2whw h TYR 29 N 0.00 0.33 -0.14 1.56 -1.99 -1.94 -2.02 116.97 112.77 2whw h TYR 29 Ca 0.00 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.66 2whw h TYR 29 Cb 0.65 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2whw h TYR 29 CO 0.00 0.09 -0.34 -1.35 -0.00 0.00 0.00 178.16 176.57 2whw h PRO 30 N 0.37 0.28 -0.25 4.88 0.11 -2.00 -0.11 132.00 135.29 2whw h PRO 30 Ca 0.26 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.28 2whw h PRO 30 Cb 0.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 2whw h PRO 30 CO -0.27 0.59 0.08 1.15 -0.21 0.00 0.00 178.00 179.34 2whw h THR 31 N 0.25 0.93 -0.29 -1.15 2.02 -1.66 0.13 112.91 113.13 2whw h THR 31 Ca 0.03 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2whw h THR 31 Cb 0.72 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2whw h THR 31 CO 0.05 0.03 -0.21 1.88 0.37 0.00 0.00 175.52 177.65 2whw h TYR 32 N 0.19 0.78 -0.60 3.16 0.99 -0.96 -1.74 116.97 118.79 2whw h TYR 32 Ca 0.11 -0.21 0.01 0.00 2.00 0.00 0.00 58.73 60.63 2whw h TYR 32 Cb 0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.61 2whw h TYR 32 CO -0.13 0.92 0.39 0.00 -0.00 0.00 0.00 178.16 179.35 2whw h ALA 33 N 0.73 0.76 -0.28 3.88 0.00 -0.98 0.17 119.26 123.54 2whw h ALA 33 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2whw h ALA 33 Cb 0.75 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2whw h ALA 33 CO 0.06 0.19 0.01 -0.09 0.00 0.00 0.00 179.25 179.42 2whw h ARG 34 N 0.81 0.10 -0.74 0.00 2.43 -0.77 -1.15 114.38 115.05 2whw h ARG 34 Ca 0.22 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 2whw h ARG 34 Cb -0.09 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.36 2whw h ARG 34 CO -0.05 0.06 0.36 -0.07 -1.51 0.00 0.00 179.97 178.76 2whw h LEU 35 N 0.10 0.44 -1.20 3.80 3.38 -0.74 -2.76 115.31 118.33 2whw h LEU 35 Ca 0.13 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2whw h LEU 35 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2whw h LEU 35 CO -0.22 0.23 -0.35 -0.09 0.09 0.00 0.00 178.44 178.10 2whw h ARG 36 N 0.58 0.08 -0.84 1.13 2.43 0.38 -1.45 114.38 116.69 2whw h ARG 36 Ca 0.38 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 2whw h ARG 36 Cb 0.46 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2whw h ARG 36 CO -0.31 0.42 0.56 0.00 -1.51 0.00 0.00 179.97 179.13 2whw h ALA 37 N 1.58 1.43 -0.08 2.80 0.00 -0.95 -3.02 119.26 121.02 2whw h ALA 37 Ca 0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2whw h ALA 37 Cb 0.66 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2whw h ALA 37 CO 0.05 0.51 -0.64 0.93 0.00 0.00 0.00 179.25 180.10 2whw h GLU 38 N 1.10 0.30 0.00 0.00 5.08 -1.25 -3.49 114.58 116.32 2whw h GLU 38 Ca 0.32 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2whw h GLU 38 Cb -0.07 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2whw h GLU 38 CO -0.08 0.84 0.00 0.41 -1.00 0.00 0.00 179.01 179.18 2whw n GLY 39 N 0.36 -2.18 0.21 -3.84 0.00 -1.01 -5.02 105.19 93.71 2whw n GLY 39 Ca -0.03 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.72 2whw n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2whw h PRO 40 N 0.59 0.00 -4.42 1.61 0.13 -1.83 -3.38 132.00 124.70 2whw h PRO 40 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 2whw h PRO 40 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2whw h PRO 40 CO 0.00 0.25 -0.79 0.00 -0.23 0.00 0.00 178.00 177.23 2whw s ALA 41 N -3.48 0.86 -0.09 -0.56 0.00 -1.26 -1.14 121.76 116.08 2whw s ALA 41 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 2whw s ALA 41 Cb 0.09 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2whw s ALA 41 CO 0.66 0.10 0.22 -1.01 0.00 0.00 0.00 175.76 175.72 2whw s HIS 42 N 0.45 -0.27 -0.06 0.00 3.76 -0.85 -4.96 115.29 113.36 2whw s HIS 42 Ca -0.07 0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 55.21 2whw s HIS 42 Cb -0.11 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.59 2whw s HIS 42 CO 0.01 -0.18 1.05 1.03 -0.85 0.00 0.00 174.74 175.80 2whw s ARG 43 N 0.88 4.44 0.30 1.40 0.52 -1.26 -0.50 118.95 124.72 2whw s ARG 43 Ca -0.06 1.48 0.03 0.00 -0.52 0.00 0.00 55.73 56.65 2whw s ARG 43 Cb -0.08 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2whw s ARG 43 CO -0.05 -0.29 0.13 0.14 0.02 0.00 0.00 175.30 175.25 2whw s VAL 44 N 1.80 0.49 -0.11 3.52 -7.23 -0.49 -2.86 120.40 115.51 2whw s VAL 44 Ca 0.51 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2whw s VAL 44 Cb -0.21 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.20 2whw s VAL 44 CO 0.21 0.00 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.27 2whw s ARG 45 N -3.87 2.03 0.71 4.82 3.52 0.60 -2.11 118.95 124.65 2whw s ARG 45 Ca 0.35 -0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 2whw s ARG 45 Cb 0.06 -1.81 0.02 0.00 -1.56 0.00 0.00 34.95 31.65 2whw s ARG 45 CO 0.16 -0.14 1.07 0.95 -0.81 0.00 0.00 175.30 176.53 2whw s THR 46 N 1.22 3.88 0.45 4.11 -4.23 -0.49 -1.12 115.64 119.46 2whw s THR 46 Ca -0.02 0.61 0.22 0.00 -1.18 0.00 0.00 61.69 61.32 2whw s THR 46 Cb -0.14 -3.35 0.42 0.00 1.34 0.00 0.00 72.50 70.77 2whw s THR 46 CO -0.04 -0.80 1.84 -0.65 -0.54 0.00 0.00 174.62 174.43 2whw h PRO 47 N -0.78 0.28 -0.00 3.99 0.11 -1.92 0.48 132.00 134.16 2whw h PRO 47 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2whw h PRO 47 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2whw h PRO 47 CO 0.57 0.18 -0.03 0.39 -0.21 0.00 0.00 178.00 178.91 2whw n GLU 48 N -4.46 0.42 0.00 1.05 4.71 -1.26 -4.71 120.64 116.39 2whw n GLU 48 Ca 0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 2whw n GLU 48 Cb 0.83 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 2whw n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2whw n GLY 49 N 1.31 1.12 3.78 0.62 0.00 0.17 -5.09 105.19 107.10 2whw n GLY 49 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2whw n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2whw s ASN 50 N -2.00 6.65 -0.33 1.61 0.02 -1.26 -4.78 114.94 114.85 2whw s ASN 50 Ca 0.00 0.77 -0.22 0.00 -1.02 0.00 0.00 52.86 52.39 2whw s ASN 50 Cb 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 41.25 39.04 2whw s ASN 50 CO 0.00 0.18 0.74 -1.61 0.02 0.00 0.00 177.10 176.42 2whw s GLU 51 N -0.17 3.86 0.20 -0.60 0.41 -1.26 -1.39 118.70 119.75 2whw s GLU 51 Ca 0.22 0.39 -0.00 0.00 -0.41 0.00 0.00 54.97 55.17 2whw s GLU 51 Cb -0.15 -3.76 -0.04 0.00 -1.78 0.00 0.00 34.13 28.40 2whw s GLU 51 CO 0.09 -0.71 0.10 0.14 -0.49 0.00 0.00 175.26 174.39 2whw s VAL 52 N 2.90 0.21 -0.00 2.63 -7.23 -0.90 -4.73 120.40 113.29 2whw s VAL 52 Ca 0.30 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 2whw s VAL 52 Cb -0.14 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2whw s VAL 52 CO 0.14 -0.12 0.32 0.26 -0.31 0.00 0.00 175.10 175.39 2whw s TRP 53 N -4.00 3.64 -0.18 2.82 0.52 0.05 -1.40 118.94 120.39 2whw s TRP 53 Ca 0.35 0.77 -0.08 0.00 0.02 0.00 0.00 56.10 57.15 2whw s TRP 53 Cb 0.07 -2.13 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2whw s TRP 53 CO 0.10 0.63 0.09 -0.51 0.02 0.00 0.00 176.95 177.28 2whw s LEU 54 N -1.41 4.00 -0.24 2.99 1.43 0.34 -0.35 118.68 125.45 2whw s LEU 54 Ca 0.25 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2whw s LEU 54 Cb -0.14 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2whw s LEU 54 CO 0.13 0.21 0.06 -0.69 0.23 0.00 0.00 176.35 176.29 2whw s VAL 55 N 0.18 4.28 0.33 -1.59 1.01 -0.08 -2.00 120.40 122.54 2whw s VAL 55 Ca 0.06 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.95 2whw s VAL 55 Cb -0.12 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 2whw s VAL 55 CO -0.00 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.03 2whw s VAL 56 N 1.43 2.25 0.00 2.92 -7.23 -0.30 -0.89 120.40 118.58 2whw s VAL 56 Ca 0.05 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 2whw s VAL 56 Cb -0.15 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2whw s VAL 56 CO 0.03 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2whw n GLY 57 N -0.76 0.54 0.36 2.32 0.00 -1.26 -4.49 105.19 101.90 2whw n GLY 57 Ca -0.05 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 2whw n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2whw h TYR 58 N 0.00 -0.98 -0.84 1.61 3.20 -1.82 0.05 116.97 118.19 2whw h TYR 58 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2whw h TYR 58 Cb 0.00 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 2whw h TYR 58 CO 0.00 -0.45 0.52 -0.44 -1.64 0.00 0.00 178.16 176.15 2whw h ASP 59 N -0.56 0.99 0.30 -2.11 3.32 -1.93 0.11 116.42 116.54 2whw h ASP 59 Ca 0.04 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.81 2whw h ASP 59 Cb 0.61 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2whw h ASP 59 CO -0.24 0.75 -0.94 -0.09 -1.72 0.00 0.00 179.24 177.00 2whw h ARG 60 N 1.14 0.44 -0.15 3.56 9.65 -1.80 -1.90 114.38 125.33 2whw h ARG 60 Ca 0.30 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.72 2whw h ARG 60 Cb -0.07 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2whw h ARG 60 CO -0.06 1.12 0.08 0.00 2.80 0.00 0.00 179.97 183.91 2whw h ALA 61 N 0.72 0.18 -0.05 2.80 0.00 -0.33 -0.24 119.26 122.34 2whw h ALA 61 Ca -0.08 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2whw h ALA 61 Cb 1.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2whw h ALA 61 CO 0.16 -0.36 0.00 -0.09 0.00 0.00 0.00 179.25 178.97 2whw h ARG 62 N 0.17 0.02 -0.51 0.00 2.43 -0.81 -1.17 114.38 114.51 2whw h ARG 62 Ca 0.06 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2whw h ARG 62 Cb 0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2whw h ARG 62 CO -0.03 0.01 0.30 0.00 -1.51 0.00 0.00 179.97 178.74 2whw h ALA 63 N 1.04 0.65 -0.52 2.80 0.00 -1.23 -3.11 119.26 118.89 2whw h ALA 63 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2whw h ALA 63 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2whw h ALA 63 CO -0.04 0.15 0.28 0.28 0.00 0.00 0.00 179.25 179.92 2whw h VAL 64 N 0.68 1.18 -0.88 0.00 2.07 -0.68 -1.72 116.25 116.90 2whw h VAL 64 Ca 0.18 -0.47 0.23 0.00 0.82 0.00 0.00 66.70 67.46 2whw h VAL 64 Cb 0.02 0.54 -0.14 0.00 -1.52 0.00 0.00 31.29 30.19 2whw h VAL 64 CO -0.03 0.20 0.29 -0.07 0.02 0.00 0.00 177.57 177.98 2whw h LEU 65 N 0.70 0.11 -1.69 2.57 3.38 -1.17 -1.84 115.31 117.37 2whw h LEU 65 Ca 0.18 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2whw h LEU 65 Cb 0.06 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2whw h LEU 65 CO -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.37 2whw n ALA 66 N -2.62 2.52 -2.61 1.53 0.00 -1.11 -4.77 120.51 113.45 2whw n ALA 66 Ca 0.22 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2whw n ALA 66 Cb 0.69 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2whw n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2whw s ASP 67 N -2.02 6.72 0.00 0.00 -1.08 -0.66 -4.89 116.67 114.73 2whw s ASP 67 Ca 0.30 0.65 0.13 0.00 -0.52 0.00 0.00 52.55 53.11 2whw s ASP 67 Cb 0.20 -2.49 0.80 0.00 -1.46 0.00 0.00 42.92 39.98 2whw s ASP 67 CO 0.32 -0.90 1.22 -0.81 0.52 0.00 0.00 175.17 175.52 2whw n PRO 68 N 6.90 0.46 0.21 4.34 -0.04 -1.26 -1.37 135.00 144.24 2whw n PRO 68 Ca 0.08 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.69 2whw n PRO 68 Cb 0.48 -1.46 0.54 0.00 -0.04 0.00 0.00 33.50 33.02 2whw n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2whw h ARG 69 N 0.00 0.00 -4.21 0.54 3.08 -1.95 -3.39 114.38 108.45 2whw h ARG 69 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 2whw h ARG 69 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 29.77 2whw h ARG 69 CO 0.00 0.00 -0.33 -0.06 -1.07 0.00 0.00 179.97 178.51 2whw s PHE 70 N -3.46 3.38 0.56 3.04 0.40 -0.47 -1.36 117.98 120.07 2whw s PHE 70 Ca 0.04 -1.72 -0.17 0.00 -0.60 0.00 0.00 56.93 54.48 2whw s PHE 70 Cb 0.09 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 2whw s PHE 70 CO 0.52 -1.00 1.05 0.45 0.70 0.00 0.00 175.22 176.94 2whw s SER 71 N 2.91 5.98 0.00 1.36 0.15 0.38 -4.71 113.70 119.76 2whw s SER 71 Ca 0.05 1.82 0.18 0.00 0.70 0.00 0.00 55.95 58.70 2whw s SER 71 Cb -0.27 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2whw s SER 71 CO 0.00 -1.03 0.96 0.29 1.20 0.00 0.00 173.24 174.66 2whw n LYS 72 N -1.77 1.57 -2.96 5.44 5.02 -1.26 -0.13 118.16 124.07 2whw n LYS 72 Ca 0.09 -1.14 -0.41 0.00 -2.02 0.00 0.00 58.31 54.83 2whw n LYS 72 Cb 0.53 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 2whw n LYS 72 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2whw s ASP 73 N -1.80 6.96 0.17 4.39 -1.08 -1.26 -3.91 116.67 120.15 2whw s ASP 73 Ca 0.17 1.17 0.16 0.00 -0.52 0.00 0.00 52.55 53.53 2whw s ASP 73 Cb 0.14 -2.43 0.76 0.00 -1.46 0.00 0.00 42.92 39.93 2whw s ASP 73 CO 0.35 -0.27 1.50 0.79 0.52 0.00 0.00 175.17 178.05 2whw n TRP 74 N 4.59 0.46 0.29 -5.34 7.02 -1.26 -1.44 117.44 121.75 2whw n TRP 74 Ca 0.02 0.21 0.17 0.00 -1.02 0.00 0.00 57.50 56.88 2whw n TRP 74 Cb 0.50 -0.84 0.82 0.00 -2.42 0.00 0.00 31.31 29.37 2whw n TRP 74 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2whw h ARG 75 N 0.00 0.00 -0.02 -0.99 3.08 -1.95 -2.20 114.38 112.31 2whw h ARG 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2whw h ARG 75 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2whw h ARG 75 CO 0.00 0.00 -0.38 0.09 -1.07 0.00 0.00 179.97 178.61 2whw n ASN 76 N -2.72 1.88 -4.91 7.04 3.02 -0.52 -4.92 115.26 114.13 2whw n ASN 76 Ca -0.01 -1.42 -0.31 0.00 -0.03 0.00 0.00 54.58 52.80 2whw n ASN 76 Cb 0.13 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 2whw n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2whw s SER 77 N -2.43 6.44 0.00 6.41 0.15 -0.83 -3.73 113.70 119.71 2whw s SER 77 Ca 0.21 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.59 2whw s SER 77 Cb 0.19 -2.04 0.75 0.00 -1.71 0.00 0.00 66.02 63.20 2whw s SER 77 CO 0.53 0.09 1.57 0.35 1.20 0.00 0.00 173.24 176.98 2whw n THR 78 N 0.14 0.09 -2.82 6.45 -2.24 -0.77 -4.89 114.28 110.24 2whw n THR 78 Ca -0.03 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 2whw n THR 78 Cb 0.51 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 2whw n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2whw s THR 79 N -1.91 4.92 0.36 4.28 2.01 -1.26 -5.04 115.64 119.00 2whw s THR 79 Ca 0.35 1.84 -0.28 0.00 0.31 0.00 0.00 61.69 63.91 2whw s THR 79 Cb 0.20 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 2whw s THR 79 CO 0.31 0.17 1.37 -2.16 -0.69 0.00 0.00 174.62 173.62 2whw s PRO 80 N 1.11 4.21 -0.09 4.92 0.05 -1.26 -5.06 135.00 138.89 2whw s PRO 80 Ca 0.46 2.34 -0.03 0.00 0.05 0.00 0.00 61.00 63.82 2whw s PRO 80 Cb -0.19 -2.99 -0.03 0.00 0.05 0.00 0.00 34.50 31.33 2whw s PRO 80 CO 0.23 -0.35 0.04 -0.51 0.05 0.00 0.00 177.00 176.45 2whw s LEU 81 N -1.99 3.78 0.85 -3.56 1.43 -1.26 -5.12 118.68 112.80 2whw s LEU 81 Ca 0.51 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 2whw s LEU 81 Cb -0.42 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.01 2whw s LEU 81 CO 0.56 0.38 1.12 0.42 0.23 0.00 0.00 176.35 179.07 2whw s THR 82 N -0.93 2.48 0.24 5.49 -4.23 -1.26 -4.85 115.64 112.58 2whw s THR 82 Ca 0.14 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 2whw s THR 82 Cb -0.11 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.92 2whw s THR 82 CO 0.03 -0.20 1.76 -0.08 -0.54 0.00 0.00 174.62 175.58 2whw h GLU 83 N -1.27 0.95 -0.31 3.99 4.81 -2.00 0.47 114.58 121.23 2whw h GLU 83 Ca -0.49 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.38 2whw h GLU 83 Cb 1.30 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2whw h GLU 83 CO 0.61 0.88 -0.36 0.00 -0.73 0.00 0.00 179.01 179.41 2whw h ALA 84 N 1.21 0.79 -0.30 2.92 0.00 -1.93 -2.53 119.26 119.43 2whw h ALA 84 Ca 0.19 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2whw h ALA 84 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2whw h ALA 84 CO 0.01 0.65 -0.09 0.93 0.00 0.00 0.00 179.25 180.74 2whw h GLU 85 N 0.58 0.59 0.00 0.00 5.08 -1.81 -3.12 114.58 115.90 2whw h GLU 85 Ca 0.06 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2whw h GLU 85 Cb 0.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2whw h GLU 85 CO 0.08 0.79 -0.17 0.00 -1.00 0.00 0.00 179.01 178.71 2whw h ALA 86 N 0.78 1.25 0.00 3.43 0.00 -0.79 -2.51 119.26 121.41 2whw h ALA 86 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2whw h ALA 86 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2whw h ALA 86 CO 0.03 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2whw h ALA 87 N 1.83 1.00 -0.17 0.00 0.00 -1.38 -3.07 119.26 117.47 2whw h ALA 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2whw h ALA 87 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2whw h ALA 87 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2whw n LEU 88 N -2.77 2.44 -1.02 0.00 4.77 -0.95 -4.66 117.00 114.81 2whw n LEU 88 Ca 0.03 -1.41 0.09 0.00 -0.03 0.00 0.00 56.01 54.69 2whw n LEU 88 Cb 0.37 -0.10 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 2whw n LEU 88 CO 0.28 0.53 0.71 -0.46 -1.33 0.00 0.00 177.39 177.13 2whw n ASN 89 N 0.67 2.96 -3.63 -1.43 6.94 -1.16 -4.56 115.26 115.04 2whw n ASN 89 Ca 0.10 -1.98 -0.41 0.00 -0.02 0.00 0.00 54.58 52.26 2whw n ASN 89 Cb 0.36 -0.35 -0.01 0.00 -2.36 0.00 0.00 39.78 37.43 2whw n ASN 89 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2whw n HIS 90 N 1.12 2.90 -4.21 -2.53 8.25 -1.26 -4.67 115.22 114.82 2whw n HIS 90 Ca 0.19 -2.91 -0.12 0.00 -0.26 0.00 0.00 57.72 54.62 2whw n HIS 90 Cb 0.47 -2.19 -0.10 0.00 1.12 0.00 0.00 29.99 29.29 2whw n HIS 90 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2whw s ASN 91 N 1.61 0.73 0.38 0.41 2.20 -1.26 -4.32 114.94 114.69 2whw s ASN 91 Ca 0.51 -1.25 0.17 0.00 -0.94 0.00 0.00 52.86 51.35 2whw s ASN 91 Cb 0.14 0.23 0.78 0.00 -2.00 0.00 0.00 41.25 40.40 2whw s ASN 91 CO -0.06 -0.69 1.81 0.00 -2.94 0.00 0.00 177.10 175.22 2whw h MET 92 N 2.70 0.00 0.00 3.55 -0.00 -1.91 -1.39 114.93 117.88 2whw h MET 92 Ca -0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.29 2whw h MET 92 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 2whw h MET 92 CO 0.60 0.36 -0.23 1.25 -0.00 0.00 0.00 176.91 178.89 2whw h LEU 93 N 0.00 0.00 -4.32 -0.10 5.85 -1.96 -3.14 115.31 111.63 2whw h LEU 93 Ca -0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 2whw h LEU 93 Cb 0.74 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.42 2whw h LEU 93 CO 0.05 0.23 0.12 -0.62 -0.34 0.00 0.00 178.44 177.88 2whw n GLU 94 N -3.39 3.11 -3.55 1.25 1.02 -0.53 -4.87 120.64 113.69 2whw n GLU 94 Ca 0.00 -3.86 -0.12 0.00 -0.02 0.00 0.00 57.16 53.16 2whw n GLU 94 Cb 0.44 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.54 2whw n GLU 94 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2whw s SER 95 N -2.49 -0.39 0.38 1.62 1.04 -1.19 -4.21 113.70 108.46 2whw s SER 95 Ca 0.54 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.97 2whw s SER 95 Cb 0.44 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 2whw s SER 95 CO -0.15 -0.85 0.24 -1.81 0.98 0.00 0.00 173.24 171.66 2whw s ASP 96 N -2.55 4.83 0.47 7.02 -0.00 -1.26 -4.60 116.67 120.58 2whw s ASP 96 Ca 0.00 -0.79 -0.23 0.00 -0.00 0.00 0.00 52.55 51.53 2whw s ASP 96 Cb 0.00 -0.67 -0.08 0.00 -0.00 0.00 0.00 42.92 42.17 2whw s ASP 96 CO -0.09 -0.46 1.17 -2.65 -0.00 0.00 0.00 175.17 173.14 2whw n PRO 97 N -1.32 1.57 0.06 8.23 -0.02 -1.26 -0.70 135.00 141.57 2whw n PRO 97 Ca -0.01 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 2whw n PRO 97 Cb 0.62 -2.30 0.23 0.00 -0.02 0.00 0.00 33.50 32.03 2whw n PRO 97 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2whw n PRO 98 N -0.30 0.25 -0.35 0.52 -0.04 -1.26 -4.79 135.00 129.03 2whw n PRO 98 Ca 0.09 0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2whw n PRO 98 Cb 0.42 -1.68 0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2whw n PRO 98 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2whw h ARG 99 N 0.00 1.23 -0.58 0.54 2.43 -1.77 -1.99 114.38 114.24 2whw h ARG 99 Ca 0.00 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2whw h ARG 99 Cb 0.71 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2whw h ARG 99 CO 0.00 0.81 0.35 1.25 -1.51 0.00 0.00 179.97 180.88 2whw h HIS 100 N 1.27 0.66 -0.30 2.20 2.76 -1.16 -1.43 115.15 119.14 2whw h HIS 100 Ca 0.34 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2whw h HIS 100 Cb -0.15 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 2whw h HIS 100 CO -0.01 0.37 0.17 1.15 -1.30 0.00 0.00 177.93 178.32 2whw h THR 101 N 0.69 1.12 -0.25 6.26 2.02 -1.67 -1.61 112.91 119.48 2whw h THR 101 Ca 0.24 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2whw h THR 101 Cb 0.03 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2whw h THR 101 CO -0.10 0.12 -0.04 -0.09 0.37 0.00 0.00 175.52 175.78 2whw h ARG 102 N 0.37 0.46 -0.49 6.66 2.43 -0.92 -2.63 114.38 120.25 2whw h ARG 102 Ca 0.11 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2whw h ARG 102 Cb 0.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2whw h ARG 102 CO -0.02 0.67 0.04 -0.07 -1.51 0.00 0.00 179.97 179.07 2whw h LEU 103 N 0.21 0.82 -0.63 3.80 3.38 -1.14 -2.93 115.31 118.82 2whw h LEU 103 Ca 0.06 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2whw h LEU 103 Cb 0.48 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2whw h LEU 103 CO 0.02 0.90 -0.34 -0.09 0.09 0.00 0.00 178.44 179.03 2whw h ARG 104 N 0.71 0.70 -0.04 1.13 2.43 -1.31 -2.36 114.38 115.64 2whw h ARG 104 Ca 0.14 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2whw h ARG 104 Cb 0.46 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2whw h ARG 104 CO 0.02 0.94 0.03 0.87 -1.51 0.00 0.00 179.97 180.32 2whw h LYS 105 N 0.59 0.00 -0.05 0.20 1.57 -1.28 -0.07 116.57 117.53 2whw h LYS 105 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2whw h LYS 105 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2whw h LYS 105 CO 0.07 0.00 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.82 2whw h LEU 106 N 0.00 0.07 -0.81 2.94 4.07 -1.34 -3.28 115.31 116.97 2whw h LEU 106 Ca 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2whw h LEU 106 Cb 0.08 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2whw h LEU 106 CO -0.00 0.15 0.00 1.33 -1.08 0.00 0.00 178.44 178.84 2whw n VAL 107 N -4.41 0.00 -0.32 1.22 0.24 -0.77 -4.79 118.33 109.50 2whw n VAL 107 Ca -0.02 -0.47 0.17 0.00 -2.04 0.00 0.00 64.34 61.98 2whw n VAL 107 Cb 0.17 1.05 0.41 0.00 -1.47 0.00 0.00 33.84 34.01 2whw n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2whw h ALA 108 N 0.00 1.93 -0.03 2.33 0.00 -1.09 -2.00 119.26 120.40 2whw h ALA 108 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2whw h ALA 108 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2whw h ALA 108 CO 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 179.25 178.53 2whw h ARG 109 N 0.58 0.06 0.00 0.00 3.08 -1.87 -2.62 114.38 113.62 2whw h ARG 109 Ca 0.57 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.59 2whw h ARG 109 Cb 1.14 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2whw h ARG 109 CO -0.33 0.47 -0.01 0.93 -1.07 0.00 0.00 179.97 179.96 2whw h GLU 110 N 0.05 0.00 0.00 0.04 4.39 -1.71 -3.31 114.58 114.04 2whw h GLU 110 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2whw h GLU 110 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2whw h GLU 110 CO 0.06 0.01 -0.00 1.19 -1.16 0.00 0.00 179.01 179.10 2whw n PHE 111 N -3.14 0.00 -0.93 4.33 3.01 -0.99 -4.47 117.46 115.27 2whw n PHE 111 Ca -0.02 -0.57 -0.29 0.00 1.01 0.00 0.00 57.45 57.59 2whw n PHE 111 Cb 0.17 -0.07 0.20 0.00 -0.01 0.00 0.00 39.48 39.78 2whw n PHE 111 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2whw s THR 112 N -1.29 2.10 0.16 4.37 -4.23 -1.20 -4.62 115.64 110.92 2whw s THR 112 Ca 0.06 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 2whw s THR 112 Cb 0.05 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.58 2whw s THR 112 CO 0.01 -0.04 1.75 -0.03 -0.54 0.00 0.00 174.62 175.76 2whw h MET 113 N -2.15 0.70 -0.41 3.99 4.05 -1.95 -0.61 114.93 118.55 2whw h MET 113 Ca -0.57 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 58.67 2whw h MET 113 Cb 1.33 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 2whw h MET 113 CO 0.54 0.57 -0.12 0.07 0.23 0.00 0.00 176.91 178.21 2whw h ARG 114 N 0.65 0.73 -0.25 0.39 0.11 -1.97 0.14 114.38 114.18 2whw h ARG 114 Ca 0.17 -0.24 -0.19 0.00 0.10 0.00 0.00 59.98 59.82 2whw h ARG 114 Cb 0.09 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2whw h ARG 114 CO -0.02 0.82 -0.58 -0.09 0.10 0.00 0.00 179.97 180.20 2whw h ARG 115 N 0.66 0.83 -0.25 0.08 9.65 -1.82 -3.03 114.38 120.51 2whw h ARG 115 Ca 0.11 -0.56 -0.06 0.00 -1.10 0.00 0.00 59.98 58.37 2whw h ARG 115 Cb 0.58 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 2whw h ARG 115 CO 0.04 1.19 -0.09 0.28 2.80 0.00 0.00 179.97 184.18 2whw h VAL 116 N 0.60 1.20 -0.55 0.20 2.07 -0.90 -2.68 116.25 116.19 2whw h VAL 116 Ca -0.00 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2whw h VAL 116 Cb 1.19 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2whw h VAL 116 CO 0.13 0.28 0.36 -0.08 0.02 0.00 0.00 177.57 178.28 2whw h GLU 117 N 0.38 0.59 0.00 1.57 4.57 -0.58 0.15 114.58 121.26 2whw h GLU 117 Ca 0.08 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2whw h GLU 117 Cb 0.41 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2whw h GLU 117 CO 0.02 0.39 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.17 2whw h LEU 118 N 0.61 0.00 0.00 1.64 3.38 -1.50 -0.37 115.31 119.06 2whw h LEU 118 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2whw h LEU 118 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2whw h LEU 118 CO -0.06 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.65 2whw n LEU 119 N -3.11 0.00 -0.05 1.67 4.77 0.52 -4.35 117.00 116.45 2whw n LEU 119 Ca -0.03 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2whw n LEU 119 Cb 0.09 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2whw n LEU 119 CO 0.21 -0.01 0.86 -0.09 -1.33 0.00 0.00 177.39 177.03 2whw h ARG 120 N 0.00 0.06 -0.83 3.23 2.43 -1.13 0.39 114.38 118.53 2whw h ARG 120 Ca 0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2whw h ARG 120 Cb 0.32 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 2whw h ARG 120 CO 0.00 0.04 0.54 -1.35 -1.51 0.00 0.00 179.97 177.69 2whw h PRO 121 N 0.06 0.76 0.04 0.20 0.11 -1.81 0.23 132.00 131.60 2whw h PRO 121 Ca 0.10 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.91 2whw h PRO 121 Cb 0.13 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.08 2whw h PRO 121 CO -0.17 0.50 -1.07 -0.09 -0.21 0.00 0.00 178.00 176.96 2whw h ARG 122 N 0.78 0.52 -0.64 1.05 9.65 -1.58 -1.68 114.38 122.49 2whw h ARG 122 Ca 0.38 -0.62 -0.03 0.00 -1.10 0.00 0.00 59.98 58.62 2whw h ARG 122 Cb 0.44 0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 2whw h ARG 122 CO -0.15 1.24 0.29 0.28 2.80 0.00 0.00 179.97 184.42 2whw h VAL 123 N 0.27 1.23 -0.62 0.20 2.07 -0.34 -1.64 116.25 117.42 2whw h VAL 123 Ca -0.12 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2whw h VAL 123 Cb 1.73 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2whw h VAL 123 CO 0.20 0.27 0.37 -0.61 0.02 0.00 0.00 177.57 177.82 2whw h GLN 124 N 0.88 0.70 -0.72 1.57 5.75 -0.48 -1.95 115.11 120.87 2whw h GLN 124 Ca 0.22 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2whw h GLN 124 Cb 0.15 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2whw h GLN 124 CO -0.02 0.46 0.47 1.49 -2.65 0.00 0.00 178.83 178.58 2whw h GLU 125 N 0.72 0.93 -0.50 1.69 4.81 -1.03 0.13 114.58 121.33 2whw h GLU 125 Ca 0.25 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2whw h GLU 125 Cb 0.05 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2whw h GLU 125 CO -0.12 0.61 0.19 0.82 -0.73 0.00 0.00 179.01 179.79 2whw h ILE 126 N 0.96 1.22 -0.04 2.32 2.04 -1.02 -1.88 117.51 121.10 2whw h ILE 126 Ca 0.27 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2whw h ILE 126 Cb -0.09 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2whw h ILE 126 CO -0.06 0.26 0.01 0.58 0.00 0.00 0.00 178.15 178.93 2whw h VAL 127 N 0.68 1.17 -0.94 1.67 2.07 -1.03 -1.74 116.25 118.12 2whw h VAL 127 Ca 0.17 -0.49 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2whw h VAL 127 Cb 0.21 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2whw h VAL 127 CO -0.01 0.13 0.60 0.44 0.02 0.00 0.00 177.57 178.75 2whw h ASP 128 N -0.13 0.72 0.76 0.57 3.32 -0.74 -1.17 116.42 119.75 2whw h ASP 128 Ca 0.01 0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 2whw h ASP 128 Cb 0.21 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2whw h ASP 128 CO -0.00 0.35 -1.17 1.23 -1.72 0.00 0.00 179.24 177.92 2whw h GLY 129 N 0.75 0.19 1.63 2.75 0.00 -1.14 -1.34 103.07 105.92 2whw h GLY 129 Ca 0.48 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2whw h GLY 129 CO -0.25 0.43 -0.59 1.41 0.00 0.00 0.00 176.54 177.54 2whw h LEU 130 N 0.05 0.43 0.01 3.11 3.38 -0.40 -2.28 115.31 119.60 2whw h LEU 130 Ca -0.10 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.43 2whw h LEU 130 Cb 1.90 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 42.54 2whw h LEU 130 CO 0.17 0.92 -0.79 0.58 0.09 0.00 0.00 178.44 179.41 2whw h VAL 131 N 0.28 1.37 -0.46 1.22 2.07 -1.28 -1.22 116.25 118.23 2whw h VAL 131 Ca -0.00 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.41 2whw h VAL 131 Cb 1.12 2.54 -0.09 0.00 -1.52 0.00 0.00 31.29 33.34 2whw h VAL 131 CO 0.10 0.65 -0.53 0.44 0.02 0.00 0.00 177.57 178.25 2whw h ASP 132 N 0.09 -1.78 -0.40 0.57 3.32 -1.26 0.21 116.42 117.17 2whw h ASP 132 Ca -0.10 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2whw h ASP 132 Cb 1.49 0.75 -0.02 0.00 0.22 0.00 0.00 39.33 41.76 2whw h ASP 132 CO 0.16 -0.38 0.23 0.00 -1.72 0.00 0.00 179.24 177.52 2whw h ALA 133 N 0.13 1.60 -0.31 3.45 0.00 -1.42 -2.88 119.26 119.83 2whw h ALA 133 Ca 0.10 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2whw h ALA 133 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2whw h ALA 133 CO -0.62 0.34 -0.42 1.98 0.00 0.00 0.00 179.25 180.52 2whw h MET 134 N 0.59 0.84 0.00 0.00 1.85 0.15 -3.14 114.93 115.21 2whw h MET 134 Ca 0.15 -0.48 0.00 0.00 -0.61 0.00 0.00 59.70 58.76 2whw h MET 134 Cb 0.02 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.09 2whw h MET 134 CO -0.03 1.12 0.00 1.28 -0.40 0.00 0.00 176.91 178.88 2whw n LEU 135 N -4.11 0.60 0.00 3.39 4.77 0.58 -2.12 117.00 120.11 2whw n LEU 135 Ca -0.04 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.65 2whw n LEU 135 Cb 0.56 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 41.53 2whw n LEU 135 CO 0.48 -0.41 0.78 0.00 -1.33 0.00 0.00 177.39 176.91 2whw n ALA 136 N -1.74 1.83 -1.67 -1.18 0.00 -1.12 -4.86 120.51 111.77 2whw n ALA 136 Ca 0.03 -0.06 -0.48 0.00 0.00 0.00 0.00 53.44 52.93 2whw n ALA 136 Cb 0.28 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2whw n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2whw n ALA 137 N -1.48 0.81 -0.08 0.00 0.00 -0.90 -4.90 120.51 113.97 2whw n ALA 137 Ca 0.05 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 2whw n ALA 137 Cb 0.20 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 2whw n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2whw h PRO 138 N 6.92 0.83 0.00 0.00 0.14 -1.92 -2.82 132.00 135.15 2whw h PRO 138 Ca -0.47 -0.53 0.00 0.00 0.14 0.00 0.00 66.00 65.15 2whw h PRO 138 Cb 1.27 0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.48 2whw h PRO 138 CO 0.90 1.16 0.00 -0.40 0.14 0.00 0.00 178.00 179.80 2whw n ASP 139 N -4.06 0.00 -0.72 1.44 5.75 -1.26 -4.89 116.55 112.81 2whw n ASP 139 Ca -0.05 -0.08 -0.09 0.00 -0.01 0.00 0.00 54.79 54.56 2whw n ASP 139 Cb 0.61 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 2whw n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2whw n GLY 140 N 0.22 0.96 3.39 6.12 0.00 -1.07 -4.92 105.19 109.89 2whw n GLY 140 Ca 0.09 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2whw n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whw s ARG 141 N -2.94 1.60 0.22 1.61 0.52 -1.26 -1.04 118.95 117.65 2whw s ARG 141 Ca 0.00 -1.24 -0.19 0.00 -0.52 0.00 0.00 55.73 53.78 2whw s ARG 141 Cb 0.00 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.53 2whw s ARG 141 CO 0.00 0.48 0.60 0.00 0.02 0.00 0.00 175.30 176.40 2whw s ALA 142 N -0.99 -1.09 -0.42 2.13 0.00 -0.52 -4.88 121.76 115.99 2whw s ALA 142 Ca 0.14 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 2whw s ALA 142 Cb -0.10 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2whw s ALA 142 CO 0.05 -0.88 0.70 0.34 0.00 0.00 0.00 175.76 175.97 2whw s ASP 143 N -2.88 6.39 0.63 0.00 2.15 -1.26 -0.23 116.67 121.47 2whw s ASP 143 Ca 0.09 -0.10 0.35 0.00 0.43 0.00 0.00 52.55 53.32 2whw s ASP 143 Cb -0.03 -2.35 1.98 0.00 -0.30 0.00 0.00 42.92 42.22 2whw s ASP 143 CO -0.00 -0.78 2.22 0.25 -0.17 0.00 0.00 175.17 176.68 2whw h LEU 144 N 9.79 0.00 0.00 -1.34 5.85 -1.29 -1.74 115.31 126.57 2whw h LEU 144 Ca -0.25 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2whw h LEU 144 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2whw h LEU 144 CO 0.91 0.00 -0.00 0.24 -0.34 0.00 0.00 178.44 179.24 2whw h MET 145 N 0.00 -0.01 -0.85 1.25 2.86 -1.94 -1.07 114.93 115.18 2whw h MET 145 Ca 0.02 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2whw h MET 145 Cb 0.21 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2whw h MET 145 CO -0.00 0.86 0.55 1.49 1.06 0.00 0.00 176.91 180.87 2whw h GLU 146 N -0.96 0.86 0.00 1.72 4.81 -1.89 -1.58 114.58 117.53 2whw h GLU 146 Ca -0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2whw h GLU 146 Cb 0.87 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2whw h GLU 146 CO 0.00 0.57 -1.15 0.77 -0.73 0.00 0.00 179.01 178.46 2whw h SER 147 N 0.88 0.00 0.00 1.04 0.02 -1.31 -3.41 113.55 110.77 2whw h SER 147 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2whw h SER 147 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2whw h SER 147 CO -0.15 0.59 0.00 -0.11 -1.14 0.00 0.00 176.83 176.02 2whw n LEU 148 N -3.01 -0.36 -0.12 5.07 7.94 -0.47 -4.74 117.00 121.31 2whw n LEU 148 Ca -0.06 0.17 -0.09 0.00 -1.11 0.00 0.00 56.01 54.92 2whw n LEU 148 Cb 0.82 0.48 -0.01 0.00 0.53 0.00 0.00 43.42 45.24 2whw n LEU 148 CO 0.43 -0.50 0.96 0.00 -1.11 0.00 0.00 177.39 177.16 2whw h ALA 149 N 0.00 0.46 0.50 1.96 0.00 -1.31 -1.64 119.26 119.23 2whw h ALA 149 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2whw h ALA 149 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2whw h ALA 149 CO 0.00 0.00 -0.24 2.35 0.00 0.00 0.00 179.25 181.36 2whw h TRP 150 N 0.45 -0.62 -0.96 0.00 2.91 -1.55 -3.38 115.95 112.81 2whw h TRP 150 Ca 0.13 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.16 2whw h TRP 150 Cb 0.08 0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.88 2whw h TRP 150 CO -0.02 -0.38 0.63 -1.00 -1.03 0.00 0.00 178.44 176.63 2whw h PRO 151 N -1.17 1.21 -0.05 2.65 0.13 -1.75 -3.19 132.00 129.82 2whw h PRO 151 Ca -0.07 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2whw h PRO 151 Cb 0.51 -0.27 -0.06 0.00 0.13 0.00 0.00 31.00 31.31 2whw h PRO 151 CO 0.11 0.80 -0.33 1.25 -0.23 0.00 0.00 178.00 179.60 2whw h LEU 152 N 1.24 -1.02 -0.60 1.56 5.85 -1.48 -0.79 115.31 120.07 2whw h LEU 152 Ca 0.37 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 59.11 2whw h LEU 152 Cb -0.06 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2whw h LEU 152 CO -0.10 -0.38 -0.17 -0.65 -0.34 0.00 0.00 178.44 176.79 2whw h PRO 153 N -0.45 0.93 -0.40 5.25 0.11 -1.73 -1.97 132.00 133.73 2whw h PRO 153 Ca 0.07 -0.36 0.07 0.00 0.11 0.00 0.00 66.00 65.89 2whw h PRO 153 Cb 0.57 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.57 2whw h PRO 153 CO -0.31 1.02 0.06 0.82 -0.21 0.00 0.00 178.00 179.38 2whw h ILE 154 N 0.81 0.76 -0.50 4.15 2.04 -1.53 -2.07 117.51 121.17 2whw h ILE 154 Ca 0.12 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2whw h ILE 154 Cb 0.72 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2whw h ILE 154 CO 0.06 0.03 0.02 0.74 0.00 0.00 0.00 178.15 179.00 2whw h THR 155 N 0.17 1.26 -0.20 -0.27 2.02 -0.80 -1.52 112.91 113.57 2whw h THR 155 Ca 0.20 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 2whw h THR 155 Cb 0.25 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2whw h THR 155 CO -0.28 0.37 0.11 0.58 0.37 0.00 0.00 175.52 176.67 2whw h VAL 156 N 0.75 1.12 0.00 3.16 2.07 -1.20 -2.30 116.25 119.85 2whw h VAL 156 Ca 0.15 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 2whw h VAL 156 Cb 0.49 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2whw h VAL 156 CO 0.02 0.11 -0.86 -0.29 0.02 0.00 0.00 177.57 176.57 2whw h ILE 157 N 0.22 1.51 -0.80 4.57 6.09 -1.31 -2.33 117.51 125.45 2whw h ILE 157 Ca 0.07 -2.64 0.03 0.00 -1.37 0.00 0.00 64.86 60.95 2whw h ILE 157 Cb 0.08 2.47 -0.05 0.00 0.47 0.00 0.00 36.82 39.79 2whw h ILE 157 CO -0.01 0.77 0.52 0.28 -3.07 0.00 0.00 178.15 176.63 2whw h SER 158 N 0.09 0.86 0.38 2.19 0.02 -1.22 -1.18 113.55 114.69 2whw h SER 158 Ca -0.04 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.68 2whw h SER 158 Cb 1.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2whw h SER 158 CO 0.13 0.59 -0.98 -0.33 -1.14 0.00 0.00 176.83 175.10 2whw h GLU 159 N 1.01 0.39 -0.11 3.45 5.08 -1.27 0.52 114.58 123.65 2whw h GLU 159 Ca 0.32 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2whw h GLU 159 Cb 0.00 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2whw h GLU 159 CO -0.11 1.11 0.07 1.25 -1.00 0.00 0.00 179.01 180.33 2whw h LEU 160 N 0.21 0.12 0.00 1.33 5.85 -1.18 -3.24 115.31 118.40 2whw h LEU 160 Ca -0.09 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2whw h LEU 160 Cb 1.62 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2whw h LEU 160 CO 0.17 0.10 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.82 2whw h LEU 161 N 0.13 0.00 -0.48 2.25 -0.00 -1.25 -1.73 115.31 114.23 2whw h LEU 161 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2whw h LEU 161 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2whw h LEU 161 CO -0.01 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 179.44 2whw n GLY 162 N 1.21 0.98 3.59 0.83 0.00 0.40 -3.03 105.19 109.17 2whw n GLY 162 Ca 0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2whw n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whw s VAL 163 N -2.47 4.95 0.50 1.61 1.01 0.15 -5.01 120.40 121.14 2whw s VAL 163 Ca 0.00 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 2whw s VAL 163 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 2whw s VAL 163 CO 0.00 -0.16 1.38 -2.84 0.00 0.00 0.00 175.10 173.47 2whw s PRO 164 N 2.58 3.40 0.21 2.72 0.02 -1.26 -4.66 135.00 138.00 2whw s PRO 164 Ca 0.24 2.29 -0.13 0.00 0.02 0.00 0.00 61.00 63.42 2whw s PRO 164 Cb -0.15 -2.43 0.24 0.00 0.02 0.00 0.00 34.50 32.18 2whw s PRO 164 CO 0.12 -1.00 1.63 1.49 -0.33 0.00 0.00 177.00 178.91 2whw h GLU 165 N 1.85 0.01 -0.00 5.54 4.57 -1.96 -0.77 114.58 123.82 2whw h GLU 165 Ca -0.51 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2whw h GLU 165 Cb 1.28 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2whw h GLU 165 CO 0.59 0.01 0.01 -1.35 -1.18 0.00 0.00 179.01 177.09 2whw h PRO 166 N 0.01 0.00 0.00 0.92 0.11 -2.05 -1.48 132.00 129.51 2whw h PRO 166 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2whw h PRO 166 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2whw h PRO 166 CO -0.63 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 176.55 2whw h ASP 167 N 0.00 0.00 0.17 -2.05 3.45 -1.49 -3.39 116.42 113.11 2whw h ASP 167 Ca 0.00 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.31 2whw h ASP 167 Cb 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 2whw h ASP 167 CO -0.00 0.01 -0.43 0.03 -1.57 0.00 0.00 179.24 177.29 2whw h ARG 168 N 0.00 0.33 -0.14 3.56 3.08 -1.27 -2.51 114.38 117.43 2whw h ARG 168 Ca 0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2whw h ARG 168 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2whw h ARG 168 CO 0.00 0.70 -0.01 0.00 -1.07 0.00 0.00 179.97 179.60 2whw h ALA 169 N 1.28 0.19 -0.23 0.04 0.00 -1.76 0.45 119.26 119.23 2whw h ALA 169 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2whw h ALA 169 Cb 0.87 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2whw h ALA 169 CO 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.19 2whw h ALA 170 N 0.75 0.18 -0.83 0.00 0.00 -1.84 -2.12 119.26 115.40 2whw h ALA 170 Ca 0.04 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2whw h ALA 170 Cb 0.39 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2whw h ALA 170 CO 0.01 -0.45 0.34 0.35 0.00 0.00 0.00 179.25 179.50 2whw h PHE 171 N 0.04 0.57 -0.45 0.00 3.57 -0.95 -1.36 116.94 118.37 2whw h PHE 171 Ca 0.11 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2whw h PHE 171 Cb 0.15 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2whw h PHE 171 CO -0.21 0.01 0.16 -0.09 -2.23 0.00 0.00 178.31 175.96 2whw h ARG 172 N 0.43 0.68 -0.55 1.11 2.43 -0.26 -2.46 114.38 115.76 2whw h ARG 172 Ca 0.49 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 2whw h ARG 172 Cb 0.83 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 2whw h ARG 172 CO -0.47 0.64 0.21 0.28 -1.51 0.00 0.00 179.97 179.12 2whw h VAL 173 N 0.58 0.83 0.90 0.20 2.07 -0.89 -1.33 116.25 118.62 2whw h VAL 173 Ca 0.15 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2whw h VAL 173 Cb 0.22 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2whw h VAL 173 CO -0.01 0.07 -0.49 -0.50 0.02 0.00 0.00 177.57 176.67 2whw h TRP 174 N 0.40 -1.28 0.00 1.57 6.55 -1.26 0.12 115.95 122.05 2whw h TRP 174 Ca 0.26 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.08 2whw h TRP 174 Cb 0.28 0.44 0.00 0.00 -0.86 0.00 0.00 29.16 29.02 2whw h TRP 174 CO -0.15 -0.76 0.06 1.79 -1.05 0.00 0.00 178.44 178.33 2whw h THR 175 N -1.28 0.00 0.07 1.49 1.35 -1.26 0.56 112.91 113.85 2whw h THR 175 Ca -0.12 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.57 2whw h THR 175 Cb 1.00 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2whw h THR 175 CO 0.17 0.00 -0.83 0.44 -0.25 0.00 0.00 175.52 175.05 2whw h ASP 176 N 0.00 0.24 0.00 5.36 3.32 -0.83 -3.25 116.42 121.25 2whw h ASP 176 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2whw h ASP 176 Cb 0.11 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2whw h ASP 176 CO 0.00 1.36 0.22 0.00 -1.72 0.00 0.00 179.24 179.11 2whw h ALA 177 N -0.07 1.22 0.00 3.45 0.00 0.28 0.51 119.26 124.66 2whw h ALA 177 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2whw h ALA 177 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2whw h ALA 177 CO 0.02 -0.22 -0.07 1.97 0.00 0.00 0.00 179.25 180.95 2whw n PHE 178 N -2.95 0.00 0.02 0.00 1.16 -0.98 -3.71 117.46 111.01 2whw n PHE 178 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.37 2whw n PHE 178 Cb 0.28 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.02 2whw n PHE 178 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2whw h VAL 179 N 0.00 1.45 -2.46 1.97 2.07 -1.50 -3.40 116.25 114.38 2whw h VAL 179 Ca 0.00 -2.26 -0.60 0.00 0.82 0.00 0.00 66.70 64.66 2whw h VAL 179 Cb 0.00 2.81 -0.42 0.00 -1.52 0.00 0.00 31.29 32.16 2whw h VAL 179 CO 0.00 0.65 -0.65 0.49 0.02 0.00 0.00 177.57 178.08 2whw n PHE 180 N -4.16 2.92 0.00 1.57 3.01 0.14 -4.95 117.46 115.99 2whw n PHE 180 Ca -0.12 -4.11 0.00 0.00 1.01 0.00 0.00 57.45 54.23 2whw n PHE 180 Cb 0.74 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 2whw n PHE 180 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2whw n PRO 181 N 1.35 0.00 0.00 -1.08 -0.02 -1.24 -4.63 135.00 129.37 2whw n PRO 181 Ca 0.26 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2whw n PRO 181 Cb 0.41 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2whw n PRO 181 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2whw n ASP 182 N -0.16 0.00 -3.65 2.55 5.75 -1.26 -4.93 116.55 114.84 2whw n ASP 182 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 2whw n ASP 182 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2whw n ASP 182 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2whw s ASP 183 N -1.46 -1.06 0.22 -1.12 -4.77 -1.26 -5.10 116.67 102.13 2whw s ASP 183 Ca 0.00 1.53 -0.08 0.00 -3.30 0.00 0.00 52.55 50.69 2whw s ASP 183 Cb 0.00 2.13 0.24 0.00 -1.09 0.00 0.00 42.92 44.20 2whw s ASP 183 CO 0.00 -0.22 1.86 -0.65 0.70 0.00 0.00 175.17 176.86 2whw h PRO 184 N 7.90 0.95 -0.31 2.11 0.11 -1.97 -2.90 132.00 137.89 2whw h PRO 184 Ca -0.19 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 2whw h PRO 184 Cb 1.12 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2whw h PRO 184 CO 0.11 0.63 -0.03 0.00 -0.21 0.00 0.00 178.00 178.50 2whw h ALA 185 N 1.34 1.37 -0.32 -0.75 0.00 -2.00 -2.78 119.26 116.12 2whw h ALA 185 Ca 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2whw h ALA 185 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2whw h ALA 185 CO -0.12 0.43 0.14 0.37 0.00 0.00 0.00 179.25 180.08 2whw h GLN 186 N 0.47 0.47 -0.55 0.00 4.15 -1.89 -1.46 115.11 116.30 2whw h GLN 186 Ca 0.10 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2whw h GLN 186 Cb 0.35 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.91 2whw h GLN 186 CO 0.01 0.45 0.24 0.00 -1.93 0.00 0.00 178.83 177.60 2whw h ALA 187 N 0.99 0.70 0.17 3.38 0.00 -1.32 -0.96 119.26 122.22 2whw h ALA 187 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2whw h ALA 187 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2whw h ALA 187 CO -0.01 -0.13 -0.08 1.96 0.00 0.00 0.00 179.25 180.98 2whw h GLN 188 N 0.46 -0.23 -0.68 0.00 1.08 -1.25 -1.24 115.11 113.26 2whw h GLN 188 Ca 0.26 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.59 2whw h GLN 188 Cb 0.23 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 2whw h GLN 188 CO -0.22 -0.12 0.26 1.15 -0.95 0.00 0.00 178.83 178.95 2whw h THR 189 N -0.27 0.72 -0.51 -0.54 2.02 -1.17 0.48 112.91 113.63 2whw h THR 189 Ca -0.02 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2whw h THR 189 Cb 0.21 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2whw h THR 189 CO 0.04 0.08 0.07 0.00 0.37 0.00 0.00 175.52 176.08 2whw h ALA 190 N 1.48 0.68 -0.37 6.16 0.00 -1.01 0.07 119.26 126.27 2whw h ALA 190 Ca 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2whw h ALA 190 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2whw h ALA 190 CO -0.35 0.43 0.18 0.52 0.00 0.00 0.00 179.25 180.02 2whw h MET 191 N 0.74 0.54 -0.59 0.00 2.07 -0.44 0.75 114.93 117.99 2whw h MET 191 Ca 0.15 -0.08 0.05 0.00 -2.07 0.00 0.00 59.70 57.76 2whw h MET 191 Cb 0.42 -0.10 -0.05 0.00 -1.87 0.00 0.00 31.60 30.00 2whw h MET 191 CO 0.01 0.48 0.31 0.00 1.07 0.00 0.00 176.91 178.78 2whw h ALA 192 N 1.03 0.77 -0.49 6.32 0.00 -0.78 -1.59 119.26 124.53 2whw h ALA 192 Ca 0.13 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2whw h ALA 192 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2whw h ALA 192 CO -0.02 -0.02 -0.20 0.93 0.00 0.00 0.00 179.25 179.94 2whw h GLU 193 N 0.59 1.00 -0.67 0.00 5.08 -0.57 -1.38 114.58 118.63 2whw h GLU 193 Ca 0.26 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2whw h GLU 193 Cb 0.16 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2whw h GLU 193 CO -0.17 1.09 0.25 1.98 -1.00 0.00 0.00 179.01 181.16 2whw h MET 194 N 0.86 1.02 -0.32 2.33 4.05 -0.71 0.64 114.93 122.81 2whw h MET 194 Ca 0.11 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2whw h MET 194 Cb 0.78 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2whw h MET 194 CO 0.06 0.87 -0.04 1.03 0.23 0.00 0.00 176.91 179.06 2whw h SER 195 N 0.96 0.58 -0.33 1.39 0.87 -1.21 -0.89 113.55 114.92 2whw h SER 195 Ca 0.22 -0.34 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2whw h SER 195 Cb 0.24 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2whw h SER 195 CO -0.01 0.78 0.07 1.23 -0.53 0.00 0.00 176.83 178.37 2whw h GLY 196 N 0.37 0.39 0.53 5.77 0.00 -1.00 -1.56 103.07 107.56 2whw h GLY 196 Ca 0.08 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.45 2whw h GLY 196 CO 0.02 -0.01 0.17 -1.82 0.00 0.00 0.00 176.54 174.90 2whw h TYR 197 N 0.19 0.29 -0.42 5.60 3.20 -0.70 -2.50 116.97 122.64 2whw h TYR 197 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 2whw h TYR 197 Cb 0.16 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2whw h TYR 197 CO -0.17 0.09 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.15 2whw h LEU 198 N 0.34 0.91 -0.59 2.82 3.38 -0.93 0.21 115.31 121.46 2whw h LEU 198 Ca 0.23 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2whw h LEU 198 Cb 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2whw h LEU 198 CO -0.24 1.12 0.29 0.28 0.09 0.00 0.00 178.44 179.98 2whw h SER 199 N 0.70 0.41 -0.42 -0.43 0.02 -1.21 0.13 113.55 112.75 2whw h SER 199 Ca 0.09 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 2whw h SER 199 Cb 0.78 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2whw h SER 199 CO 0.06 0.27 -0.23 0.03 -1.14 0.00 0.00 176.83 175.82 2whw h ARG 200 N 0.55 0.89 -0.57 3.45 3.08 -0.96 -1.34 114.38 119.48 2whw h ARG 200 Ca 0.27 -0.40 0.07 0.00 0.07 0.00 0.00 59.98 59.99 2whw h ARG 200 Cb 0.20 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2whw h ARG 200 CO -0.20 1.05 0.25 1.25 -1.07 0.00 0.00 179.97 181.26 2whw h LEU 201 N 0.71 0.32 -0.26 3.04 5.85 -0.26 0.39 115.31 125.10 2whw h LEU 201 Ca 0.09 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2whw h LEU 201 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2whw h LEU 201 CO 0.07 0.21 0.16 0.40 -0.34 0.00 0.00 178.44 178.93 2whw h ILE 202 N 0.47 1.05 -0.80 4.05 2.04 -0.59 -2.32 117.51 121.40 2whw h ILE 202 Ca 0.27 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2whw h ILE 202 Cb 0.25 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2whw h ILE 202 CO -0.23 0.06 0.43 0.44 0.00 0.00 0.00 178.15 178.85 2whw h ASP 203 N 0.32 1.01 0.10 1.72 3.32 -0.97 -2.40 116.42 119.52 2whw h ASP 203 Ca 0.10 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2whw h ASP 203 Cb -0.02 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2whw h ASP 203 CO -0.03 0.82 -0.02 0.77 -1.72 0.00 0.00 179.24 179.06 2whw h SER 204 N 1.13 0.00 1.15 6.45 4.64 -0.38 -1.97 113.55 124.57 2whw h SER 204 Ca 0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2whw h SER 204 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2whw h SER 204 CO -0.04 0.02 -0.54 0.11 -0.87 0.00 0.00 176.83 175.51 2whw h LYS 205 N 0.00 0.00 -6.47 4.77 1.79 -1.10 -3.45 116.57 112.11 2whw h LYS 205 Ca -0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2whw h LYS 205 Cb 0.08 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.78 2whw h LYS 205 CO 0.00 0.54 0.93 0.54 -1.08 0.00 0.00 179.45 180.38 2whw n ARG 206 N -3.38 2.32 -1.04 3.15 1.74 -0.74 -2.02 116.66 116.69 2whw n ARG 206 Ca 0.01 0.84 -0.01 0.00 -0.77 0.00 0.00 57.85 57.91 2whw n ARG 206 Cb 0.68 -2.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 2whw n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2whw n GLY 207 N 3.81 0.43 0.51 -0.13 0.00 -1.26 -4.90 105.19 103.65 2whw n GLY 207 Ca 0.18 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2whw n GLY 207 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2whw n GLN 208 N -1.77 1.46 -3.09 1.61 1.13 -0.86 -4.98 117.38 110.88 2whw n GLN 208 Ca -0.01 -1.03 -0.22 0.00 -1.94 0.00 0.00 57.00 53.80 2whw n GLN 208 Cb 0.19 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.08 2whw n GLN 208 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2whw n ASP 209 N 0.13 -4.94 -4.78 1.08 8.00 -1.26 -4.97 116.55 109.82 2whw n ASP 209 Ca 0.14 -0.28 -0.33 0.00 0.71 0.00 0.00 54.79 55.04 2whw n ASP 209 Cb 0.43 -4.04 0.05 0.00 -0.02 0.00 0.00 41.12 37.54 2whw n ASP 209 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2whw s GLY 210 N -2.63 2.04 0.00 0.44 0.00 -1.26 -4.98 107.32 100.94 2whw s GLY 210 Ca 0.30 0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.56 2whw s GLY 210 CO 0.38 0.80 0.98 1.18 0.00 0.00 0.00 173.10 176.43 2whw n GLU 211 N -2.59 1.53 -1.36 2.90 -0.58 -1.26 -4.52 120.64 114.76 2whw n GLU 211 Ca 0.10 -1.47 -0.29 0.00 -0.42 0.00 0.00 57.16 55.08 2whw n GLU 211 Cb 0.52 -1.19 0.14 0.00 -0.57 0.00 0.00 31.44 30.34 2whw n GLU 211 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2whw s ASP 212 N -0.86 3.50 0.22 1.62 1.47 -1.26 -4.85 116.67 116.51 2whw s ASP 212 Ca 0.14 1.23 -0.08 0.00 1.18 0.00 0.00 52.55 55.03 2whw s ASP 212 Cb 0.08 -1.89 0.18 0.00 -0.34 0.00 0.00 42.92 40.95 2whw s ASP 212 CO 0.12 -2.59 1.82 0.25 0.68 0.00 0.00 175.17 175.44 2whw h LEU 213 N -1.52 1.10 -0.50 2.11 5.85 -1.50 -2.05 115.31 118.81 2whw h LEU 213 Ca -0.50 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 2whw h LEU 213 Cb 1.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2whw h LEU 213 CO 0.58 0.93 0.12 0.25 -0.34 0.00 0.00 178.44 179.98 2whw h LEU 214 N 1.20 0.76 -0.82 2.25 5.85 -1.76 -0.78 115.31 122.01 2whw h LEU 214 Ca 0.29 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2whw h LEU 214 Cb 0.12 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2whw h LEU 214 CO -0.04 0.80 0.52 0.28 -0.34 0.00 0.00 178.44 179.66 2whw h SER 215 N 0.69 0.84 -0.60 1.25 0.02 -1.70 0.17 113.55 114.22 2whw h SER 215 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2whw h SER 215 Cb 0.34 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2whw h SER 215 CO 0.00 0.56 0.20 0.00 -1.14 0.00 0.00 176.83 176.46 2whw h ALA 216 N 1.36 0.78 -0.38 3.77 0.00 -0.90 -1.69 119.26 122.20 2whw h ALA 216 Ca 0.34 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2whw h ALA 216 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2whw h ALA 216 CO -0.13 0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 179.16 2whw h LEU 217 N 0.85 0.88 -0.29 0.00 3.38 -0.54 -1.71 115.31 117.87 2whw h LEU 217 Ca 0.20 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2whw h LEU 217 Cb 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2whw h LEU 217 CO -0.01 1.12 0.11 0.58 0.09 0.00 0.00 178.44 180.33 2whw h VAL 218 N 0.70 0.94 -0.46 1.22 2.07 -0.47 -1.33 116.25 118.92 2whw h VAL 218 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2whw h VAL 218 Cb 0.87 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2whw h VAL 218 CO 0.08 0.05 0.30 0.03 0.02 0.00 0.00 177.57 178.04 2whw h ARG 219 N 0.25 0.59 -0.35 1.57 3.08 -1.05 0.28 114.38 118.75 2whw h ARG 219 Ca 0.13 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.21 2whw h ARG 219 Cb 0.08 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 2whw h ARG 219 CO -0.12 0.39 -0.13 1.15 -1.07 0.00 0.00 179.97 180.19 2whw h THR 220 N 0.61 0.55 -0.62 2.04 2.02 -1.12 0.87 112.91 117.26 2whw h THR 220 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 2whw h THR 220 Cb -0.05 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2whw h THR 220 CO -0.05 0.00 0.14 -1.28 0.37 0.00 0.00 175.52 174.71 2whw h SER 221 N -0.07 0.95 0.84 4.18 0.87 -1.01 -2.51 113.55 116.80 2whw h SER 221 Ca 0.17 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 2whw h SER 221 Cb 0.33 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2whw h SER 221 CO -0.40 0.94 -0.42 0.44 -0.53 0.00 0.00 176.83 176.86 2whw h ASP 222 N 0.91 0.00 0.62 6.23 3.32 -0.65 -2.89 116.42 123.97 2whw h ASP 222 Ca 0.19 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 2whw h ASP 222 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2whw h ASP 222 CO 0.00 0.42 -0.75 -0.33 -1.72 0.00 0.00 179.24 176.86 2whw h GLU 223 N 0.00 0.10 -0.99 3.56 5.08 -0.62 -3.43 114.58 118.28 2whw h GLU 223 Ca -0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2whw h GLU 223 Cb 0.95 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.02 2whw h GLU 223 CO 0.05 0.81 -0.39 0.34 -1.00 0.00 0.00 179.01 178.82 2whw s ASP 224 N -6.86 -1.62 0.09 1.42 -1.08 -0.96 -5.02 116.67 102.64 2whw s ASP 224 Ca -0.02 0.05 0.20 0.00 -0.52 0.00 0.00 52.55 52.26 2whw s ASP 224 Cb 0.11 2.02 0.81 0.00 -1.46 0.00 0.00 42.92 44.40 2whw s ASP 224 CO 0.80 -0.28 1.61 0.61 0.52 0.00 0.00 175.17 178.43 2whw n GLY 225 N 5.28 -1.18 0.17 2.66 0.00 -1.10 -1.21 105.19 109.80 2whw n GLY 225 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2whw n GLY 225 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2whw h SER 226 N 0.00 0.00 0.75 1.61 4.64 -1.95 -3.12 113.55 115.48 2whw h SER 226 Ca 0.00 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 2whw h SER 226 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2whw h SER 226 CO 0.00 0.01 -0.86 0.03 -0.87 0.00 0.00 176.83 175.14 2whw h ARG 227 N 0.00 0.07 -1.40 4.77 3.08 -1.51 -3.44 114.38 115.95 2whw h ARG 227 Ca 0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2whw h ARG 227 Cb 0.97 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.79 2whw h ARG 227 CO 0.00 0.88 -0.41 -1.17 -1.07 0.00 0.00 179.97 178.20 2whw s LEU 228 N -7.20 -1.10 0.82 3.04 2.96 -1.13 -4.91 118.68 111.15 2whw s LEU 228 Ca -0.01 0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 2whw s LEU 228 Cb 0.11 1.61 0.08 0.00 0.50 0.00 0.00 46.19 48.49 2whw s LEU 228 CO 0.81 -0.30 1.10 0.42 -1.32 0.00 0.00 176.35 177.06 2whw s THR 229 N 2.70 2.86 0.32 3.68 -4.23 -1.18 -4.43 115.64 115.36 2whw s THR 229 Ca 0.14 0.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.02 2whw s THR 229 Cb -0.13 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.74 2whw s THR 229 CO -0.23 -0.36 1.74 0.77 -0.54 0.00 0.00 174.62 175.99 2whw h SER 230 N -1.18 0.12 -0.69 3.99 4.64 -1.93 0.76 113.55 119.26 2whw h SER 230 Ca -0.48 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.73 2whw h SER 230 Cb 1.28 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2whw h SER 230 CO 0.60 0.54 0.19 -0.33 -0.87 0.00 0.00 176.83 176.95 2whw h GLU 231 N 0.10 1.10 -0.13 4.77 3.07 -1.96 -1.59 114.58 119.94 2whw h GLU 231 Ca 0.01 -0.25 -0.17 0.00 -0.50 0.00 0.00 59.36 58.44 2whw h GLU 231 Cb 0.80 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2whw h GLU 231 CO 0.06 0.96 -0.64 0.93 -1.40 0.00 0.00 179.01 178.92 2whw h GLU 232 N 1.05 0.48 -0.17 2.33 5.08 -1.59 -0.58 114.58 121.18 2whw h GLU 232 Ca 0.22 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2whw h GLU 232 Cb 0.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2whw h GLU 232 CO -0.00 0.97 0.09 1.25 -1.00 0.00 0.00 179.01 180.31 2whw h LEU 233 N 0.35 0.22 -0.76 1.33 5.85 -0.78 0.17 115.31 121.70 2whw h LEU 233 Ca -0.01 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2whw h LEU 233 Cb 1.20 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2whw h LEU 233 CO 0.12 0.27 0.41 0.25 -0.34 0.00 0.00 178.44 179.15 2whw h LEU 234 N 0.16 0.94 -1.37 2.25 5.85 -1.22 -2.01 115.31 119.92 2whw h LEU 234 Ca 0.06 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2whw h LEU 234 Cb 0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2whw h LEU 234 CO -0.01 0.77 0.14 1.23 -0.34 0.00 0.00 178.44 180.23 2whw h GLY 235 N 1.05 0.60 0.92 3.75 0.00 -0.50 -1.06 103.07 107.82 2whw h GLY 235 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 2whw h GLY 235 CO -0.04 0.28 -0.42 1.98 0.00 0.00 0.00 176.54 178.34 2whw h MET 236 N 0.56 0.59 -0.61 4.80 1.85 -0.46 -0.96 114.93 120.70 2whw h MET 236 Ca 0.14 -0.40 -0.05 0.00 -0.61 0.00 0.00 59.70 58.78 2whw h MET 236 Cb 0.14 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 2whw h MET 236 CO -0.01 1.02 0.21 0.00 -0.40 0.00 0.00 176.91 177.72 2whw h ALA 237 N 0.57 0.80 0.36 0.39 0.00 -1.15 -1.84 119.26 118.39 2whw h ALA 237 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2whw h ALA 237 Cb 1.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2whw h ALA 237 CO 0.09 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.87 2whw h HIS 238 N 0.87 -0.45 -0.41 0.00 6.17 -1.05 -2.12 115.15 118.15 2whw h HIS 238 Ca 0.20 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.23 2whw h HIS 238 Cb 0.27 0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 2whw h HIS 238 CO 0.02 -0.22 0.08 0.97 0.71 0.00 0.00 177.93 179.48 2whw h ILE 239 N -0.58 1.19 -0.15 6.26 2.10 -1.12 -1.13 117.51 124.09 2whw h ILE 239 Ca -0.05 -0.71 -0.19 0.00 1.08 0.00 0.00 64.86 64.99 2whw h ILE 239 Cb 0.43 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 36.95 2whw h ILE 239 CO 0.08 0.26 -0.67 -0.07 -1.08 0.00 0.00 178.15 176.66 2whw h LEU 240 N 0.61 0.69 -0.21 2.19 3.38 -1.26 -2.66 115.31 118.05 2whw h LEU 240 Ca 0.14 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2whw h LEU 240 Cb 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2whw h LEU 240 CO -0.00 1.18 -0.31 -0.07 0.09 0.00 0.00 178.44 179.32 2whw h LEU 241 N 0.43 0.64 -0.34 1.67 3.38 -0.97 -2.13 115.31 117.99 2whw h LEU 241 Ca -0.02 -0.52 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 2whw h LEU 241 Cb 1.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2whw h LEU 241 CO 0.13 1.04 -0.72 -0.37 0.09 0.00 0.00 178.44 178.61 2whw h VAL 242 N 0.27 1.37 -0.46 1.22 -1.51 -1.28 -1.64 116.25 114.21 2whw h VAL 242 Ca 0.02 -2.59 -0.06 0.00 -1.23 0.00 0.00 66.70 62.84 2whw h VAL 242 Cb 0.90 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.49 2whw h VAL 242 CO 0.07 0.70 0.06 0.00 -1.23 0.00 0.00 177.57 177.18 2whw h ALA 243 N 1.28 0.62 0.00 5.19 0.00 -1.56 -2.56 119.26 122.23 2whw h ALA 243 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2whw h ALA 243 Cb 1.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2whw h ALA 243 CO 0.09 0.35 0.00 0.78 0.00 0.00 0.00 179.25 180.48 2whw h GLY 244 N 0.64 0.00 0.57 0.00 0.00 -1.25 -3.05 103.07 99.98 2whw h GLY 244 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 2whw h GLY 244 CO 0.01 0.00 -1.66 1.42 0.00 0.00 0.00 176.54 176.31 2whw n HIS 245 N -2.58 0.57 -1.47 5.60 8.25 -0.63 -3.68 115.22 121.28 2whw n HIS 245 Ca -0.01 0.18 0.01 0.00 -0.26 0.00 0.00 57.72 57.64 2whw n HIS 245 Cb 0.11 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.33 2whw n HIS 245 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2whw n GLU 246 N -2.67 0.33 0.05 -0.41 -0.58 -1.00 -4.69 120.64 111.67 2whw n GLU 246 Ca -0.11 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 2whw n GLU 246 Cb 0.77 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2whw n GLU 246 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2whw n THR 247 N -0.19 1.15 0.05 2.62 -2.24 -1.23 -4.63 114.28 109.81 2whw n THR 247 Ca 0.02 0.38 0.05 0.00 -2.27 0.00 0.00 64.05 62.23 2whw n THR 247 Cb 0.60 -1.54 0.47 0.00 -2.10 0.00 0.00 70.33 67.76 2whw n THR 247 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2whw h THR 248 N 0.00 1.08 -0.50 4.28 2.02 -1.89 -0.15 112.91 117.75 2whw h THR 248 Ca 0.00 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 67.13 2whw h THR 248 Cb 0.00 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 66.92 2whw h THR 248 CO 0.00 0.08 -0.08 0.58 0.37 0.00 0.00 175.52 176.47 2whw h VAL 249 N 0.45 0.53 0.00 3.16 2.07 -1.84 -0.38 116.25 120.23 2whw h VAL 249 Ca 0.12 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2whw h VAL 249 Cb -0.04 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2whw h VAL 249 CO -0.03 0.01 -0.40 0.78 0.02 0.00 0.00 177.57 177.95 2whw h ASN 250 N 0.03 0.00 -0.15 0.57 2.35 -1.33 -2.34 115.58 114.72 2whw h ASN 250 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 2whw h ASN 250 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2whw h ASN 250 CO -0.49 0.15 -0.01 0.25 -1.65 0.00 0.00 177.43 175.69 2whw h LEU 251 N 0.00 0.26 -0.59 1.61 5.85 -0.36 -0.49 115.31 121.58 2whw h LEU 251 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2whw h LEU 251 Cb 1.13 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2whw h LEU 251 CO 0.02 0.53 0.38 0.40 -0.34 0.00 0.00 178.44 179.42 2whw h ILE 252 N -0.00 1.16 0.10 4.05 2.04 -1.02 -1.07 117.51 122.77 2whw h ILE 252 Ca 0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2whw h ILE 252 Cb 0.40 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2whw h ILE 252 CO 0.01 0.16 -0.05 0.00 0.00 0.00 0.00 178.15 178.27 2whw h ALA 253 N 1.20 -0.14 -0.86 1.87 0.00 -1.40 -0.80 119.26 119.14 2whw h ALA 253 Ca 0.22 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2whw h ALA 253 Cb -0.06 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2whw h ALA 253 CO -0.04 -0.24 0.52 -0.91 0.00 0.00 0.00 179.25 178.58 2whw h ASN 254 N -0.81 0.81 -0.31 0.00 4.21 -1.20 -0.04 115.58 118.24 2whw h ASN 254 Ca -0.01 0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.34 2whw h ASN 254 Cb 0.57 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.63 2whw h ASN 254 CO 0.02 0.51 -0.52 1.23 -1.29 0.00 0.00 177.43 177.38 2whw h GLY 255 N 0.94 0.98 1.93 2.83 0.00 -1.17 0.15 103.07 108.73 2whw h GLY 255 Ca 0.38 -1.12 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 2whw h GLY 255 CO -0.19 1.00 -0.42 -0.33 0.00 0.00 0.00 176.54 176.61 2whw h MET 256 N 0.69 0.08 -0.30 4.80 2.86 -0.92 -1.06 114.93 121.08 2whw h MET 256 Ca 0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2whw h MET 256 Cb 1.13 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2whw h MET 256 CO 0.12 0.48 0.04 -0.92 1.06 0.00 0.00 176.91 177.69 2whw h TYR 257 N 0.06 0.55 -0.61 -0.22 3.20 -0.78 -0.05 116.97 119.13 2whw h TYR 257 Ca 0.00 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.83 2whw h TYR 257 Cb 0.77 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 2whw h TYR 257 CO 0.00 0.61 0.37 0.00 -1.64 0.00 0.00 178.16 177.50 2whw h ALA 258 N 0.87 0.80 -0.39 1.82 0.00 -0.53 -1.59 119.26 120.24 2whw h ALA 258 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2whw h ALA 258 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2whw h ALA 258 CO 0.01 0.09 0.00 1.25 0.00 0.00 0.00 179.25 180.60 2whw h LEU 259 N 0.71 0.66 -0.69 0.00 5.85 -0.88 -1.93 115.31 119.04 2whw h LEU 259 Ca 0.25 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2whw h LEU 259 Cb 0.06 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2whw h LEU 259 CO -0.12 0.81 0.00 -0.07 -0.34 0.00 0.00 178.44 178.72 2whw h LEU 260 N 0.50 0.00 -1.25 2.25 3.38 -0.74 -2.42 115.31 117.03 2whw h LEU 260 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2whw h LEU 260 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2whw h LEU 260 CO 0.02 0.00 -0.19 -1.54 0.09 0.00 0.00 178.44 176.82 2whw n SER 261 N -2.72 2.04 -3.35 -0.43 3.41 -0.62 -4.50 113.62 107.45 2whw n SER 261 Ca 0.03 -1.52 -0.26 0.00 -0.26 0.00 0.00 58.87 56.86 2whw n SER 261 Cb 0.36 0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2whw n SER 261 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2whw n HIS 262 N 0.39 2.37 -0.09 7.33 8.25 -0.73 -4.98 115.22 127.75 2whw n HIS 262 Ca 0.08 -3.97 0.19 0.00 -0.26 0.00 0.00 57.72 53.76 2whw n HIS 262 Cb 0.39 -0.49 0.61 0.00 1.12 0.00 0.00 29.99 31.62 2whw n HIS 262 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2whw h PRO 263 N 4.12 0.19 0.00 -0.41 0.11 -1.79 1.04 132.00 135.25 2whw h PRO 263 Ca 0.16 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 2whw h PRO 263 Cb 0.73 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 2whw h PRO 263 CO 0.72 0.12 -0.36 0.38 -0.21 0.00 0.00 178.00 178.65 2whw h ASP 264 N 0.19 0.00 0.22 -2.05 2.03 -1.94 -1.97 116.42 112.90 2whw h ASP 264 Ca 0.32 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.31 2whw h ASP 264 Cb 0.99 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.52 2whw h ASP 264 CO -0.06 0.36 -1.33 1.56 -1.03 0.00 0.00 179.24 178.74 2whw h GLN 265 N 0.00 0.52 -0.90 4.15 1.08 0.79 -2.53 115.11 118.22 2whw h GLN 265 Ca -0.00 -0.85 0.08 0.00 -1.45 0.00 0.00 58.65 56.43 2whw h GLN 265 Cb 0.74 0.31 -0.07 0.00 -0.05 0.00 0.00 27.48 28.41 2whw h GLN 265 CO 0.05 1.40 0.55 1.25 -0.95 0.00 0.00 178.83 181.13 2whw h LEU 266 N 0.09 0.83 -0.40 1.46 5.85 -1.27 -1.35 115.31 120.53 2whw h LEU 266 Ca -0.23 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2whw h LEU 266 Cb 2.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 2whw h LEU 266 CO 0.25 0.50 -0.15 0.00 -0.34 0.00 0.00 178.44 178.70 2whw h ALA 267 N 1.45 0.56 -0.77 1.25 0.00 -1.40 0.32 119.26 120.68 2whw h ALA 267 Ca 0.41 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2whw h ALA 267 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2whw h ALA 267 CO -0.21 0.48 0.51 0.00 0.00 0.00 0.00 179.25 180.02 2whw h ALA 268 N 0.83 1.47 -0.06 0.00 0.00 -0.96 0.11 119.26 120.64 2whw h ALA 268 Ca 0.09 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2whw h ALA 268 Cb 0.69 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2whw h ALA 268 CO 0.05 0.49 -0.86 1.25 0.00 0.00 0.00 179.25 180.18 2whw h LEU 269 N 1.02 0.86 -0.44 0.00 5.85 -0.89 -1.15 115.31 120.57 2whw h LEU 269 Ca 0.29 -0.69 0.07 0.00 0.84 0.00 0.00 57.88 58.38 2whw h LEU 269 Cb -0.09 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 2whw h LEU 269 CO -0.07 1.43 0.10 0.03 -0.34 0.00 0.00 178.44 179.60 2whw h ARG 270 N 0.37 0.23 -0.05 1.25 3.08 -0.26 -2.52 114.38 116.48 2whw h ARG 270 Ca -0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2whw h ARG 270 Cb 1.51 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 2whw h ARG 270 CO 0.17 0.15 -0.10 0.00 -1.07 0.00 0.00 179.97 179.13 2whw h ALA 271 N 1.33 1.74 -2.43 0.04 0.00 -0.63 -3.36 119.26 115.95 2whw h ALA 271 Ca 0.21 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.47 2whw h ALA 271 Cb 0.26 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 17.64 2whw h ALA 271 CO -0.27 0.19 -0.82 0.34 0.00 0.00 0.00 179.25 178.69 2whw s ASP 272 N -6.98 2.48 0.00 0.00 -1.08 -0.45 -5.00 116.67 105.64 2whw s ASP 272 Ca -0.05 -2.13 0.05 0.00 -0.52 0.00 0.00 52.55 49.91 2whw s ASP 272 Cb 0.16 -0.19 0.25 0.00 -1.46 0.00 0.00 42.92 41.68 2whw s ASP 272 CO 0.70 -0.29 1.07 0.23 0.52 0.00 0.00 175.17 177.40 2whw n MET 273 N 3.99 0.05 0.06 4.34 2.81 -1.03 -1.34 117.12 126.00 2whw n MET 273 Ca 0.13 0.30 0.10 0.00 -1.81 0.00 0.00 57.70 56.43 2whw n MET 273 Cb 0.39 -1.50 0.42 0.00 -0.71 0.00 0.00 33.22 31.82 2whw n MET 273 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2whw n THR 274 N -1.37 0.81 1.98 2.03 -2.24 -1.26 -2.40 114.28 111.83 2whw n THR 274 Ca 0.02 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2whw n THR 274 Cb 0.05 -0.99 0.85 0.00 -2.10 0.00 0.00 70.33 68.14 2whw n THR 274 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2whw n LEU 275 N -1.87 0.05 0.05 3.22 4.77 -0.45 -4.45 117.00 118.32 2whw n LEU 275 Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2whw n LEU 275 Cb 0.23 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2whw n LEU 275 CO 0.19 0.01 0.77 0.25 -1.33 0.00 0.00 177.39 177.28 2whw h LEU 276 N 0.07 -0.07 -0.38 2.23 5.85 -1.71 0.25 115.31 121.55 2whw h LEU 276 Ca 0.00 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2whw h LEU 276 Cb 0.02 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2whw h LEU 276 CO 0.00 0.10 0.03 0.44 -0.34 0.00 0.00 178.44 178.67 2whw h ASP 277 N -0.24 -0.09 0.14 1.25 5.19 -1.85 -0.01 116.42 120.81 2whw h ASP 277 Ca -0.01 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2whw h ASP 277 Cb 0.21 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2whw h ASP 277 CO 0.01 -0.01 -0.25 1.23 -3.12 0.00 0.00 179.24 177.10 2whw h GLY 278 N 0.14 0.22 1.07 2.75 0.00 -1.80 -2.13 103.07 103.33 2whw h GLY 278 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 2whw h GLY 278 CO -0.28 0.15 0.04 0.00 0.00 0.00 0.00 176.54 176.45 2whw h ALA 279 N 1.56 0.84 -0.68 3.60 0.00 0.76 -2.55 119.26 122.79 2whw h ALA 279 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2whw h ALA 279 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2whw h ALA 279 CO 0.04 0.65 0.30 0.28 0.00 0.00 0.00 179.25 180.52 2whw h VAL 280 N 0.99 1.23 -0.56 0.00 2.07 -0.64 -0.06 116.25 119.28 2whw h VAL 280 Ca 0.18 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2whw h VAL 280 Cb 0.51 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2whw h VAL 280 CO 0.02 0.28 0.37 -0.33 0.02 0.00 0.00 177.57 177.94 2whw h GLU 281 N 0.95 0.59 0.00 1.57 4.39 -1.31 -1.42 114.58 119.35 2whw h GLU 281 Ca 0.23 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 2whw h GLU 281 Cb 0.16 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2whw h GLU 281 CO -0.02 0.39 -0.24 1.49 -1.16 0.00 0.00 179.01 179.47 2whw h GLU 282 N 0.61 0.00 -0.68 2.33 4.57 -0.96 0.16 114.58 120.60 2whw h GLU 282 Ca 0.23 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2whw h GLU 282 Cb 0.15 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2whw h GLU 282 CO -0.06 0.18 0.17 0.52 -1.18 0.00 0.00 179.01 178.63 2whw h MET 283 N 0.00 1.08 -0.51 1.92 2.86 0.03 -0.18 114.93 120.14 2whw h MET 283 Ca -0.00 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.30 2whw h MET 283 Cb 1.14 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2whw h MET 283 CO 0.02 0.96 0.02 -0.07 1.06 0.00 0.00 176.91 178.90 2whw h LEU 284 N 1.01 0.87 -0.11 1.22 3.38 -0.91 -1.44 115.31 119.33 2whw h LEU 284 Ca 0.21 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2whw h LEU 284 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2whw h LEU 284 CO 0.00 0.95 -0.14 -0.09 0.09 0.00 0.00 178.44 179.25 2whw h ARG 285 N 0.76 0.29 0.04 1.13 1.12 -0.93 -2.60 114.38 114.19 2whw h ARG 285 Ca 0.15 -0.16 -0.15 0.00 -1.11 0.00 0.00 59.98 58.70 2whw h ARG 285 Cb 0.50 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2whw h ARG 285 CO 0.02 0.73 -0.62 -0.92 -3.11 0.00 0.00 179.97 176.07 2whw h TYR 286 N -0.13 0.54 -1.21 2.20 3.20 -1.04 -3.41 116.97 117.12 2whw h TYR 286 Ca 0.01 -0.32 -0.39 0.00 3.14 0.00 0.00 58.73 61.17 2whw h TYR 286 Cb 0.69 -0.05 -0.30 0.00 1.54 0.00 0.00 36.73 38.61 2whw h TYR 286 CO 0.10 1.17 -0.89 -1.91 -1.64 0.00 0.00 178.16 174.99 2whw n GLU 287 N -4.23 0.94 -1.14 1.82 2.13 -0.55 -5.03 120.64 114.59 2whw n GLU 287 Ca -0.11 -2.77 -0.32 0.00 0.66 0.00 0.00 57.16 54.61 2whw n GLU 287 Cb 0.70 -1.42 0.12 0.00 0.27 0.00 0.00 31.44 31.10 2whw n GLU 287 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2whw s GLY 288 N -1.87 1.87 0.54 8.31 0.00 -0.98 -4.74 107.32 110.46 2whw s GLY 288 Ca 0.33 0.55 0.31 0.00 0.00 0.00 0.00 44.72 45.90 2whw s GLY 288 CO -0.09 0.93 2.06 -0.56 0.00 0.00 0.00 173.10 175.44 2whw h PRO 289 N -1.11 0.00 -4.77 2.90 0.13 -1.82 -3.41 132.00 123.91 2whw h PRO 289 Ca -0.45 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 2whw h PRO 289 Cb 1.26 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.20 2whw h PRO 289 CO 0.48 0.10 -0.23 0.08 -0.23 0.00 0.00 178.00 178.19 2whw s VAL 290 N -3.99 5.11 -0.03 1.56 1.01 -1.26 -1.23 120.40 121.57 2whw s VAL 290 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2whw s VAL 290 Cb 0.12 -4.05 -0.32 0.00 0.00 0.00 0.00 36.38 32.13 2whw s VAL 290 CO 0.56 -0.44 0.79 -0.08 0.00 0.00 0.00 175.10 175.93 2whw h GLU 291 N 8.73 0.40 -4.86 2.72 4.81 -0.83 -3.39 114.58 122.17 2whw h GLU 291 Ca -0.27 -0.68 -0.36 0.00 -0.13 0.00 0.00 59.36 57.92 2whw h GLU 291 Cb 1.11 0.25 -0.24 0.00 0.63 0.00 0.00 28.75 30.51 2whw h GLU 291 CO 0.80 1.33 -0.76 -1.12 -0.73 0.00 0.00 179.01 178.53 2whw s SER 292 N -7.29 1.17 0.99 1.04 0.01 -1.11 -0.99 113.70 107.53 2whw s SER 292 Ca -0.14 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 2whw s SER 292 Cb 0.04 -0.05 0.18 0.00 0.21 0.00 0.00 66.02 66.41 2whw s SER 292 CO 0.86 -0.05 1.14 0.00 0.41 0.00 0.00 173.24 175.61 2whw s ALA 293 N -0.91 1.42 0.86 1.44 0.00 0.36 -4.70 121.76 120.22 2whw s ALA 293 Ca -0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2whw s ALA 293 Cb -0.08 -2.99 0.11 0.00 0.00 0.00 0.00 23.12 20.16 2whw s ALA 293 CO 0.01 -2.68 1.17 0.95 0.00 0.00 0.00 175.76 175.21 2whw s THR 294 N -3.23 1.99 0.40 0.00 -4.23 -1.26 -4.41 115.64 104.90 2whw s THR 294 Ca 0.67 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.90 2whw s THR 294 Cb -0.13 -2.90 -0.10 0.00 1.34 0.00 0.00 72.50 70.70 2whw s THR 294 CO 0.55 0.00 1.49 -0.31 -0.54 0.00 0.00 174.62 175.80 2whw s TYR 295 N -3.47 2.52 0.07 3.99 1.51 -1.26 -4.74 117.35 115.97 2whw s TYR 295 Ca 0.63 1.17 0.07 0.00 -1.01 0.00 0.00 57.07 57.94 2whw s TYR 295 Cb -0.12 -4.03 -0.03 0.00 -0.11 0.00 0.00 41.96 37.67 2whw s TYR 295 CO 0.51 -3.07 -0.19 1.03 -1.11 0.00 0.00 175.55 172.72 2whw s ARG 296 N -2.19 1.13 -0.14 -0.62 0.52 -0.61 -4.69 118.95 112.35 2whw s ARG 296 Ca 0.55 -1.03 -0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2whw s ARG 296 Cb -0.46 -1.29 0.03 0.00 0.52 0.00 0.00 34.95 33.74 2whw s ARG 296 CO 0.63 0.31 -0.07 -0.06 0.02 0.00 0.00 175.30 176.13 2whw s PHE 297 N -1.04 1.64 0.15 -0.53 0.40 0.82 -0.01 117.98 119.41 2whw s PHE 297 Ca 0.05 -0.93 -0.31 0.00 -0.60 0.00 0.00 56.93 55.13 2whw s PHE 297 Cb -0.09 -1.30 -0.10 0.00 0.51 0.00 0.00 43.02 42.04 2whw s PHE 297 CO 0.03 -0.57 1.59 -2.14 0.70 0.00 0.00 175.22 174.83 2whw s PRO 298 N 1.66 4.21 0.35 0.24 0.02 -1.26 -0.47 135.00 139.74 2whw s PRO 298 Ca 0.03 2.37 0.16 0.00 0.02 0.00 0.00 61.00 63.59 2whw s PRO 298 Cb -0.14 -3.23 0.60 0.00 0.02 0.00 0.00 34.50 31.75 2whw s PRO 298 CO -0.08 -0.64 1.71 -0.39 -0.33 0.00 0.00 177.00 177.27 2whw h VAL 299 N 4.15 1.04 -4.32 3.83 -1.51 -1.55 -0.50 116.25 117.40 2whw h VAL 299 Ca -0.43 -1.66 -0.28 0.00 -1.23 0.00 0.00 66.70 63.11 2whw h VAL 299 Cb 1.20 1.97 -0.15 0.00 -2.13 0.00 0.00 31.29 32.18 2whw h VAL 299 CO 0.92 0.43 -0.62 -1.83 -1.23 0.00 0.00 177.57 175.24 2whw s GLU 300 N -3.64 1.29 0.38 5.19 -1.05 -1.26 -4.82 118.70 114.79 2whw s GLU 300 Ca -0.00 -1.68 -0.27 0.00 -0.15 0.00 0.00 54.97 52.86 2whw s GLU 300 Cb 0.12 0.09 -0.10 0.00 -0.44 0.00 0.00 34.13 33.80 2whw s GLU 300 CO 0.71 -0.36 1.39 -2.14 0.95 0.00 0.00 175.26 175.80 2whw s PRO 301 N -4.10 4.07 -0.12 -4.83 0.02 -1.26 -4.17 135.00 124.61 2whw s PRO 301 Ca 0.39 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.79 2whw s PRO 301 Cb 0.07 -2.89 0.01 0.00 0.02 0.00 0.00 34.50 31.71 2whw s PRO 301 CO 0.13 -0.48 -0.20 0.08 -0.33 0.00 0.00 177.00 176.20 2whw s VAL 302 N -1.17 1.84 -0.30 3.83 1.01 0.51 -4.90 120.40 121.22 2whw s VAL 302 Ca 0.54 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 2whw s VAL 302 Cb -0.42 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2whw s VAL 302 CO 0.56 0.51 0.40 -0.62 0.00 0.00 0.00 175.10 175.95 2whw s ASP 303 N 0.77 6.25 -0.41 3.32 3.68 -1.26 0.20 116.67 129.21 2whw s ASP 303 Ca -0.10 0.10 -0.02 0.00 2.13 0.00 0.00 52.55 54.66 2whw s ASP 303 Cb -0.16 -2.22 0.11 0.00 -1.45 0.00 0.00 42.92 39.20 2whw s ASP 303 CO 0.01 -0.28 0.21 -0.76 0.13 0.00 0.00 175.17 174.47 2whw s LEU 304 N 2.12 5.23 -1.30 -1.34 1.43 0.30 -4.74 118.68 120.38 2whw s LEU 304 Ca 0.15 -2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 50.98 2whw s LEU 304 Cb -0.16 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2whw s LEU 304 CO 0.11 -0.53 0.51 0.47 0.23 0.00 0.00 176.35 177.15 2whw n ASP 305 N 4.52 -2.65 0.00 2.29 8.00 -1.26 -1.13 116.55 126.32 2whw n ASP 305 Ca -0.01 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2whw n ASP 305 Cb 0.41 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 2whw n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whw n GLY 306 N -2.11 2.75 3.64 0.44 0.00 -1.26 -4.99 105.19 103.66 2whw n GLY 306 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2whw n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whw s THR 307 N -2.59 5.05 -0.21 2.61 2.01 -0.28 -5.04 115.64 117.18 2whw s THR 307 Ca 0.00 1.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.92 2whw s THR 307 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2whw s THR 307 CO 0.00 0.10 0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 2whw s VAL 308 N 2.13 5.28 -0.26 3.82 1.01 -1.26 0.11 120.40 131.24 2whw s VAL 308 Ca 0.24 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 2whw s VAL 308 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2whw s VAL 308 CO 0.09 0.41 0.12 -0.63 0.00 0.00 0.00 175.10 175.09 2whw s ILE 309 N 0.65 4.78 0.63 2.22 1.01 0.53 -4.90 121.20 126.13 2whw s ILE 309 Ca 0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2whw s ILE 309 Cb -0.12 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2whw s ILE 309 CO 0.01 0.31 1.16 -2.84 0.00 0.00 0.00 174.94 173.58 2whw s PRO 310 N 1.56 2.81 0.21 2.79 0.02 -1.26 -0.36 135.00 140.76 2whw s PRO 310 Ca 0.06 1.64 -0.32 0.00 0.02 0.00 0.00 61.00 62.40 2whw s PRO 310 Cb -0.15 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.30 2whw s PRO 310 CO 0.06 -1.29 1.39 0.00 -0.33 0.00 0.00 177.00 176.84 2whw n ALA 311 N -2.03 0.73 -0.73 -1.55 0.00 -1.26 -2.46 120.51 113.21 2whw n ALA 311 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2whw n ALA 311 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2whw n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whw n GLY 312 N 2.36 1.35 3.81 0.00 0.00 -0.20 -4.85 105.19 107.66 2whw n GLY 312 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2whw n GLY 312 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2whw s ASP 313 N -3.18 5.13 -0.10 1.61 1.11 -1.03 -1.84 116.67 118.37 2whw s ASP 313 Ca 0.00 1.65 -0.24 0.00 0.18 0.00 0.00 52.55 54.14 2whw s ASP 313 Cb 0.00 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 2whw s ASP 313 CO 0.00 -1.61 0.74 -0.89 1.18 0.00 0.00 175.17 174.59 2whw s THR 314 N -3.02 5.00 -0.10 -1.27 2.01 -1.26 -4.03 115.64 112.96 2whw s THR 314 Ca 0.59 1.49 0.03 0.00 0.31 0.00 0.00 61.69 64.12 2whw s THR 314 Cb -0.15 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2whw s THR 314 CO 0.55 0.18 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.76 2whw s VAL 315 N 1.23 1.92 -0.22 3.82 1.01 0.98 -0.77 120.40 128.37 2whw s VAL 315 Ca 0.38 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 2whw s VAL 315 Cb -0.17 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2whw s VAL 315 CO 0.17 0.53 -0.01 -0.76 0.00 0.00 0.00 175.10 175.03 2whw s LEU 316 N 0.50 3.13 -0.17 3.92 1.43 0.53 -1.58 118.68 126.44 2whw s LEU 316 Ca -0.16 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 2whw s LEU 316 Cb -0.17 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2whw s LEU 316 CO 0.06 0.01 0.72 -0.69 0.23 0.00 0.00 176.35 176.68 2whw s VAL 317 N 1.31 4.97 -0.86 -1.59 1.01 -1.26 -0.90 120.40 123.07 2whw s VAL 317 Ca 0.04 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 2whw s VAL 317 Cb -0.15 -4.03 0.14 0.00 0.00 0.00 0.00 36.38 32.34 2whw s VAL 317 CO 0.00 0.10 1.02 -0.69 0.00 0.00 0.00 175.10 175.53 2whw s VAL 318 N 1.85 4.83 0.21 2.92 1.01 -0.07 -0.49 120.40 130.67 2whw s VAL 318 Ca 0.34 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2whw s VAL 318 Cb -0.16 -4.70 0.15 0.00 0.00 0.00 0.00 36.38 31.67 2whw s VAL 318 CO 0.12 -1.40 1.80 -0.07 0.00 0.00 0.00 175.10 175.56 2whw h LEU 319 N 10.06 0.55 -1.33 3.92 3.38 -1.32 -2.14 115.31 128.43 2whw h LEU 319 Ca 0.07 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.21 2whw h LEU 319 Cb 1.04 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2whw h LEU 319 CO 1.06 0.35 0.55 0.00 0.09 0.00 0.00 178.44 180.49 2whw h ALA 320 N 1.36 1.83 0.04 1.53 0.00 -1.49 -0.90 119.26 121.63 2whw h ALA 320 Ca 0.31 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 2whw h ALA 320 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2whw h ALA 320 CO -0.19 -0.05 -1.41 0.22 0.00 0.00 0.00 179.25 177.81 2whw h ASP 321 N 0.68 0.13 -0.88 0.00 1.82 -1.67 -2.94 116.42 113.56 2whw h ASP 321 Ca 0.42 -0.19 0.05 0.00 -0.39 0.00 0.00 57.03 56.92 2whw h ASP 321 Cb 0.65 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.56 2whw h ASP 321 CO -0.18 1.16 0.56 0.00 -1.61 0.00 0.00 179.24 179.17 2whw h ALA 322 N 0.82 1.19 0.00 -0.78 0.00 -0.68 -2.07 119.26 117.75 2whw h ALA 322 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2whw h ALA 322 Cb 1.93 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2whw h ALA 322 CO 0.12 0.37 0.00 0.72 0.00 0.00 0.00 179.25 180.46 2whw n HIS 323 N -4.56 0.75 -0.71 0.00 8.25 -0.49 -2.20 115.22 116.26 2whw n HIS 323 Ca 0.12 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.92 2whw n HIS 323 Cb 0.13 -0.93 0.30 0.00 1.12 0.00 0.00 29.99 30.62 2whw n HIS 323 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2whw n ARG 324 N -2.16 3.53 -2.71 -0.41 5.12 -0.80 -4.84 116.66 114.39 2whw n ARG 324 Ca 0.04 -2.78 -0.43 0.00 -1.93 0.00 0.00 57.85 52.75 2whw n ARG 324 Cb 0.30 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.74 2whw n ARG 324 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2whw s THR 325 N -2.15 4.51 0.34 0.55 2.01 -0.93 -4.80 115.64 115.16 2whw s THR 325 Ca 0.44 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.99 2whw s THR 325 Cb 0.31 -4.40 0.07 0.00 0.01 0.00 0.00 72.50 68.50 2whw s THR 325 CO 0.17 -0.55 1.78 1.55 -0.69 0.00 0.00 174.62 176.87 2whw h PRO 326 N 8.36 0.13 -0.26 4.92 0.13 -1.91 0.14 132.00 143.51 2whw h PRO 326 Ca -0.22 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.93 2whw h PRO 326 Cb 1.07 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2whw h PRO 326 CO 1.02 0.48 0.20 0.93 -0.23 0.00 0.00 178.00 180.40 2whw h GLU 327 N 0.11 0.00 0.00 0.86 3.07 -1.98 -2.94 114.58 113.70 2whw h GLU 327 Ca 0.01 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.55 2whw h GLU 327 Cb 0.70 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.56 2whw h GLU 327 CO 0.05 0.00 -2.20 -2.13 -1.40 0.00 0.00 179.01 173.33 2whw n ARG 328 N -4.32 0.62 -3.93 2.33 3.00 -0.41 -4.80 116.66 109.15 2whw n ARG 328 Ca 0.03 0.11 -0.30 0.00 -0.00 0.00 0.00 57.85 57.69 2whw n ARG 328 Cb 0.35 -1.43 -0.14 0.00 0.00 0.00 0.00 32.46 31.25 2whw n ARG 328 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2whw s PHE 329 N -2.42 3.11 0.56 -0.14 0.40 -0.10 -5.08 117.98 114.31 2whw s PHE 329 Ca -0.26 -3.05 -0.21 0.00 -0.60 0.00 0.00 56.93 52.81 2whw s PHE 329 Cb 0.07 -2.72 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 2whw s PHE 329 CO 0.51 -0.78 1.18 -2.30 0.70 0.00 0.00 175.22 174.54 2whw n PRO 330 N 3.34 1.33 -3.53 0.24 -0.02 -1.12 -2.77 135.00 132.47 2whw n PRO 330 Ca 0.05 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.83 2whw n PRO 330 Cb 0.34 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.50 2whw n PRO 330 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2whw n ASP 331 N -0.84 -2.89 0.27 2.55 4.64 -1.26 -4.85 116.55 114.17 2whw n ASP 331 Ca 0.12 -0.76 0.09 0.00 -1.38 0.00 0.00 54.79 52.87 2whw n ASP 331 Cb 0.45 -4.54 0.70 0.00 -1.04 0.00 0.00 41.12 36.69 2whw n ASP 331 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2whw h PRO 332 N -1.73 0.00 -0.00 -0.67 0.13 -1.83 -0.22 132.00 127.67 2whw h PRO 332 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2whw h PRO 332 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2whw h PRO 332 CO 0.51 0.01 -0.04 0.72 -0.23 0.00 0.00 178.00 178.97 2whw n HIS 333 N -4.36 0.00 -2.94 1.56 8.25 -1.26 -4.76 115.22 111.71 2whw n HIS 333 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2whw n HIS 333 Cb 0.10 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 2whw n HIS 333 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2whw s ARG 334 N -2.26 4.37 -0.47 -0.41 3.52 -0.10 -5.02 118.95 118.57 2whw s ARG 334 Ca 0.37 0.99 -0.24 0.00 -0.13 0.00 0.00 55.73 56.71 2whw s ARG 334 Cb 0.21 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2whw s ARG 334 CO 0.42 -0.16 0.87 0.12 -0.81 0.00 0.00 175.30 175.73 2whw s PHE 335 N 1.57 2.93 -0.23 5.12 5.36 -1.26 -4.98 117.98 126.49 2whw s PHE 335 Ca 0.39 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.57 2whw s PHE 335 Cb -0.17 -3.86 0.07 0.00 -0.34 0.00 0.00 43.02 38.71 2whw s PHE 335 CO 0.16 -1.10 0.03 0.34 -1.46 0.00 0.00 175.22 173.19 2whw s ASP 336 N 2.31 3.44 0.25 6.13 2.15 -1.26 -4.94 116.67 124.76 2whw s ASP 336 Ca 0.33 -1.12 0.18 0.00 0.43 0.00 0.00 52.55 52.37 2whw s ASP 336 Cb -0.11 -0.82 0.94 0.00 -0.30 0.00 0.00 42.92 42.63 2whw s ASP 336 CO 0.24 -0.32 1.55 2.30 -0.17 0.00 0.00 175.17 178.77 2whw n ILE 337 N 4.90 1.18 0.28 4.11 -5.35 -1.26 -1.48 119.36 121.73 2whw n ILE 337 Ca -0.08 0.63 0.12 0.00 -0.27 0.00 0.00 62.75 63.15 2whw n ILE 337 Cb 0.45 -1.62 0.21 0.00 -1.74 0.00 0.00 39.64 36.94 2whw n ILE 337 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2whw n ARG 338 N -2.11 2.49 -1.19 6.28 1.74 -1.26 -3.77 116.66 118.84 2whw n ARG 338 Ca -0.01 -2.28 -0.34 0.00 -0.77 0.00 0.00 57.85 54.45 2whw n ARG 338 Cb 0.05 -1.51 0.11 0.00 -1.02 0.00 0.00 32.46 30.10 2whw n ARG 338 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2whw n ARG 339 N 1.47 0.29 -2.70 5.56 0.63 -0.55 -4.94 116.66 116.42 2whw n ARG 339 Ca 0.19 0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.86 2whw n ARG 339 Cb 0.60 -2.30 -0.03 0.00 0.45 0.00 0.00 32.46 31.18 2whw n ARG 339 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2whw s ASP 340 N -1.91 6.69 0.00 6.15 3.68 -1.26 -4.87 116.67 125.16 2whw s ASP 340 Ca 0.72 0.58 0.20 0.00 2.13 0.00 0.00 52.55 56.18 2whw s ASP 340 Cb -0.31 -2.51 0.09 0.00 -1.45 0.00 0.00 42.92 38.74 2whw s ASP 340 CO 0.52 -1.03 1.07 0.35 0.13 0.00 0.00 175.17 176.21 2whw n THR 341 N 6.32 0.00 -1.66 1.71 -2.24 -1.26 -4.99 114.28 112.15 2whw n THR 341 Ca 0.10 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 61.00 2whw n THR 341 Cb 0.48 1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 70.02 2whw n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2whw n ALA 342 N 0.63 1.04 -0.32 6.98 0.00 -1.26 -1.68 120.51 125.90 2whw n ALA 342 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2whw n ALA 342 Cb 0.46 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2whw n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whw n GLY 343 N 2.74 0.72 3.74 0.00 0.00 -1.26 -5.06 105.19 106.06 2whw n GLY 343 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2whw n GLY 343 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2whw s HIS 344 N -2.44 2.25 -0.19 1.61 -3.43 -0.68 -4.94 115.29 107.46 2whw s HIS 344 Ca 0.00 1.63 0.16 0.00 -0.80 0.00 0.00 55.06 56.05 2whw s HIS 344 Cb 0.00 -3.20 0.58 0.00 -1.43 0.00 0.00 32.58 28.53 2whw s HIS 344 CO 0.00 -2.17 1.47 1.28 -2.00 0.00 0.00 174.74 173.33 2whw n LEU 345 N -3.48 4.18 0.06 5.38 4.77 -1.26 -4.72 117.00 121.93 2whw n LEU 345 Ca 0.11 -3.02 0.08 0.00 -0.03 0.00 0.00 56.01 53.14 2whw n LEU 345 Cb 0.52 -0.57 0.52 0.00 -2.33 0.00 0.00 43.42 41.56 2whw n LEU 345 CO 0.51 0.67 1.14 0.00 -1.33 0.00 0.00 177.39 178.38 2whw h ALA 346 N 2.12 1.90 -0.68 -1.18 0.00 -1.92 -1.32 119.26 118.17 2whw h ALA 346 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2whw h ALA 346 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2whw h ALA 346 CO 0.27 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.76 2whw n PHE 347 N -4.49 0.93 -1.44 0.00 0.99 -1.26 -4.75 117.46 107.44 2whw n PHE 347 Ca 0.03 -0.50 0.00 0.00 -0.00 0.00 0.00 57.45 56.98 2whw n PHE 347 Cb 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 2whw n PHE 347 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2whw n GLY 348 N 1.49 -1.77 3.64 1.37 0.00 -0.50 -0.48 105.19 108.94 2whw n GLY 348 Ca 0.23 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 2whw n GLY 348 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whw s HIS 349 N 0.00 -0.54 0.00 1.61 2.46 -1.26 -4.65 115.29 112.91 2whw s HIS 349 Ca 0.00 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.66 2whw s HIS 349 Cb 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2whw s HIS 349 CO 0.00 -0.26 0.00 0.41 -2.47 0.00 0.00 174.74 172.42 2whw n GLY 350 N 3.24 -0.97 0.31 1.59 0.00 -1.26 -3.79 105.19 104.31 2whw n GLY 350 Ca -0.17 -2.02 0.18 0.00 0.00 0.00 0.00 46.02 44.01 2whw n GLY 350 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2whw h ILE 351 N 0.00 0.28 -0.63 -0.61 3.07 -1.90 -1.90 117.51 115.83 2whw h ILE 351 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 2whw h ILE 351 Cb 0.00 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 2whw h ILE 351 CO 0.00 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 178.53 2whw n HIS 352 N -3.45 0.91 -1.64 0.16 8.25 -1.26 -4.99 115.22 113.20 2whw n HIS 352 Ca -0.03 -0.44 -0.46 0.00 -0.26 0.00 0.00 57.72 56.54 2whw n HIS 352 Cb 0.12 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2whw n HIS 352 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2whw n PHE 353 N 1.31 1.82 -1.71 4.41 7.35 -0.72 -4.63 117.46 125.29 2whw n PHE 353 Ca 0.21 0.55 -0.63 0.00 -0.76 0.00 0.00 57.45 56.82 2whw n PHE 353 Cb 0.57 -2.38 -0.09 0.00 0.35 0.00 0.00 39.48 37.93 2whw n PHE 353 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2whw h ILE 355 N 5.21 0.30 -0.38 0.00 2.10 -1.91 -3.18 117.51 119.65 2whw h ILE 355 Ca -0.44 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.42 2whw h ILE 355 Cb 1.35 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 2whw h ILE 355 CO 0.98 0.14 0.00 0.61 -1.08 0.00 0.00 178.15 178.80 2whw n GLY 356 N 0.52 0.89 0.28 8.18 0.00 -1.26 -4.56 105.19 109.24 2whw n GLY 356 Ca 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 2whw n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whw h ALA 357 N 3.85 0.88 -0.96 4.61 0.00 -1.89 0.75 119.26 126.51 2whw h ALA 357 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2whw h ALA 357 Cb 0.57 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2whw h ALA 357 CO 0.00 0.32 0.62 -1.35 0.00 0.00 0.00 179.25 178.84 2whw h PRO 358 N 0.94 1.08 -0.24 0.00 0.11 -1.82 -1.21 132.00 130.87 2whw h PRO 358 Ca 0.25 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 2whw h PRO 358 Cb -0.09 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 30.77 2whw h PRO 358 CO -0.05 0.72 -0.32 1.25 -0.21 0.00 0.00 178.00 179.39 2whw h LEU 359 N 1.12 0.69 -0.73 2.35 5.85 -1.59 -2.09 115.31 120.91 2whw h LEU 359 Ca 0.41 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2whw h LEU 359 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2whw h LEU 359 CO -0.16 1.06 0.31 0.00 -0.34 0.00 0.00 178.44 179.31 2whw h ALA 360 N 0.65 0.95 -0.46 1.25 0.00 -0.65 -1.43 119.26 119.57 2whw h ALA 360 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2whw h ALA 360 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2whw h ALA 360 CO 0.07 0.55 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 2whw h ARG 361 N 1.04 0.85 -0.12 0.00 3.08 -1.24 -0.76 114.38 117.24 2whw h ARG 361 Ca 0.25 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2whw h ARG 361 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2whw h ARG 361 CO -0.02 0.94 0.06 1.25 -1.07 0.00 0.00 179.97 181.13 2whw h LEU 362 N 0.70 0.10 -0.59 3.04 5.85 -1.21 0.14 115.31 123.34 2whw h LEU 362 Ca 0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2whw h LEU 362 Cb 0.60 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2whw h LEU 362 CO 0.04 0.08 0.31 -0.33 -0.34 0.00 0.00 178.44 178.19 2whw h GLU 363 N 0.14 0.83 -0.14 1.25 5.08 -1.01 -2.64 114.58 118.09 2whw h GLU 363 Ca 0.04 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2whw h GLU 363 Cb -0.00 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.10 2whw h GLU 363 CO -0.02 0.65 -0.64 0.00 -1.00 0.00 0.00 179.01 178.01 2whw h ALA 364 N 1.14 0.27 -0.41 3.43 0.00 -0.92 -1.74 119.26 121.03 2whw h ALA 364 Ca 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2whw h ALA 364 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2whw h ALA 364 CO -0.03 0.55 0.27 0.00 0.00 0.00 0.00 179.25 180.03 2whw h ARG 365 N 0.37 0.54 -0.30 0.00 3.08 -0.68 -1.26 114.38 116.12 2whw h ARG 365 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2whw h ARG 365 Cb 1.27 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2whw h ARG 365 CO 0.13 0.37 0.18 0.82 -1.07 0.00 0.00 179.97 180.40 2whw h ILE 366 N 0.55 1.11 -0.56 2.04 2.04 -1.45 -1.70 117.51 119.54 2whw h ILE 366 Ca 0.15 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2whw h ILE 366 Cb -0.05 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2whw h ILE 366 CO -0.03 0.11 0.08 0.00 0.00 0.00 0.00 178.15 178.31 2whw h ALA 367 N 1.06 1.08 -0.20 1.87 0.00 -1.08 -1.28 119.26 120.70 2whw h ALA 367 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2whw h ALA 367 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2whw h ALA 367 CO -0.02 0.60 -0.33 0.28 0.00 0.00 0.00 179.25 179.77 2whw h VAL 368 N 0.86 1.33 -0.55 0.00 2.07 -1.17 -1.42 116.25 117.36 2whw h VAL 368 Ca 0.18 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 2whw h VAL 368 Cb 0.40 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2whw h VAL 368 CO 0.01 0.48 -0.02 -0.09 0.02 0.00 0.00 177.57 177.97 2whw h ARG 369 N 0.24 0.99 -0.64 1.57 2.43 -1.14 -2.04 114.38 115.79 2whw h ARG 369 Ca 0.01 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 2whw h ARG 369 Cb 0.92 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2whw h ARG 369 CO 0.08 1.00 0.40 0.00 -1.51 0.00 0.00 179.97 179.94 2whw h ALA 370 N 0.96 0.82 -0.56 2.80 0.00 -1.14 -1.31 119.26 120.83 2whw h ALA 370 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2whw h ALA 370 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2whw h ALA 370 CO 0.03 0.17 0.29 -0.07 0.00 0.00 0.00 179.25 179.67 2whw h LEU 371 N 0.80 0.72 -0.28 0.00 3.38 -0.82 -1.44 115.31 117.68 2whw h LEU 371 Ca 0.25 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 2whw h LEU 371 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2whw h LEU 371 CO -0.09 0.63 -0.61 -0.07 0.09 0.00 0.00 178.44 178.39 2whw h LEU 372 N 0.76 0.95 -0.34 1.67 3.38 -0.96 -1.00 115.31 119.77 2whw h LEU 372 Ca 0.20 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 2whw h LEU 372 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2whw h LEU 372 CO -0.03 1.33 -0.57 -0.33 0.09 0.00 0.00 178.44 178.94 2whw h GLU 373 N 0.62 0.00 0.00 1.13 5.08 -1.23 -3.35 114.58 116.83 2whw h GLU 373 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2whw h GLU 373 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2whw h GLU 373 CO 0.13 0.57 -0.77 0.54 -1.00 0.00 0.00 179.01 178.49 2whw n ARG 374 N -3.38 2.72 -3.69 2.33 1.74 -0.55 -4.84 116.66 110.99 2whw n ARG 374 Ca 0.01 -0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 2whw n ARG 374 Cb 0.70 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 31.00 2whw n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2whw s PRO 376 N 1.02 4.41 -1.56 0.00 0.04 -1.26 -2.39 135.00 135.27 2whw s PRO 376 Ca 0.09 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 2whw s PRO 376 Cb -0.23 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 31.11 2whw s PRO 376 CO -0.03 -0.27 0.84 -0.25 0.04 0.00 0.00 177.00 177.33 2whw n ASP 377 N 3.57 -3.53 -4.55 6.66 8.00 -1.26 0.27 116.55 125.70 2whw n ASP 377 Ca 0.08 -0.89 -0.52 0.00 0.71 0.00 0.00 54.79 54.18 2whw n ASP 377 Cb 0.45 -3.41 -0.05 0.00 -0.02 0.00 0.00 41.12 38.08 2whw n ASP 377 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2whw n LEU 378 N -4.52 0.99 -3.93 0.64 7.94 -1.00 -4.35 117.00 112.77 2whw n LEU 378 Ca -0.01 1.14 -0.10 0.00 -1.11 0.00 0.00 56.01 55.93 2whw n LEU 378 Cb 0.54 -1.12 -0.11 0.00 0.53 0.00 0.00 43.42 43.26 2whw n LEU 378 CO 0.79 -1.51 -0.30 0.00 -1.11 0.00 0.00 177.39 175.26 2whw s ALA 379 N -0.04 -0.04 0.24 1.96 0.00 0.40 -4.99 121.76 119.30 2whw s ALA 379 Ca 0.79 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 2whw s ALA 379 Cb -0.98 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.16 2whw s ALA 379 CO 0.52 -0.16 1.35 -1.17 0.00 0.00 0.00 175.76 176.30 2whw s LEU 380 N -1.27 4.41 -0.01 0.00 0.20 -1.26 -1.11 118.68 119.64 2whw s LEU 380 Ca -0.14 2.54 0.12 0.00 0.69 0.00 0.00 54.13 57.34 2whw s LEU 380 Cb -0.08 -3.62 0.34 0.00 -0.43 0.00 0.00 46.19 42.40 2whw s LEU 380 CO -0.00 -0.58 1.28 -0.67 -0.29 0.00 0.00 176.35 176.09 2whw n ASP 381 N 2.15 3.06 -4.13 3.68 2.03 -0.06 -4.81 116.55 118.48 2whw n ASP 381 Ca 0.05 -2.06 -0.11 0.00 0.52 0.00 0.00 54.79 53.19 2whw n ASP 381 Cb 0.42 -0.27 -0.09 0.00 -0.72 0.00 0.00 41.12 40.46 2whw n ASP 381 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2whw s VAL 382 N -1.11 0.00 0.45 5.18 -7.23 -1.26 -4.93 120.40 111.50 2whw s VAL 382 Ca 0.26 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2whw s VAL 382 Cb 0.14 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 2whw s VAL 382 CO 0.16 0.00 0.83 -0.94 -0.31 0.00 0.00 175.10 174.85 2whw s SER 383 N -3.13 6.51 0.31 4.85 1.04 -1.26 -4.94 113.70 117.08 2whw s SER 383 Ca 0.35 1.23 0.07 0.00 0.48 0.00 0.00 55.95 58.07 2whw s SER 383 Cb 0.05 -2.37 0.75 0.00 0.10 0.00 0.00 66.02 64.55 2whw s SER 383 CO 0.12 -0.48 1.79 -0.65 0.98 0.00 0.00 173.24 174.99 2whw h PRO 384 N 1.00 0.74 -0.00 4.02 0.11 -1.99 -0.30 132.00 135.58 2whw h PRO 384 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2whw h PRO 384 Cb 1.19 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2whw h PRO 384 CO 0.63 0.49 0.00 0.78 -0.21 0.00 0.00 178.00 179.69 2whw h GLY 385 N 0.76 0.00 1.11 -0.55 0.00 -2.05 -1.92 103.07 100.41 2whw h GLY 385 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2whw h GLY 385 CO -0.34 0.00 -0.17 1.18 0.00 0.00 0.00 176.54 177.21 2whw n GLU 386 N -3.49 0.43 -2.51 4.80 1.02 -0.13 -4.90 120.64 115.86 2whw n GLU 386 Ca -0.03 -0.15 -0.35 0.00 -0.02 0.00 0.00 57.16 56.60 2whw n GLU 386 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2whw n GLU 386 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2whw s LEU 387 N -2.68 3.96 -0.08 -4.62 1.43 -0.72 -5.00 118.68 110.97 2whw s LEU 387 Ca 0.22 2.01 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 2whw s LEU 387 Cb 0.19 -4.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 2whw s LEU 387 CO 0.53 -0.70 -0.24 0.54 0.23 0.00 0.00 176.35 176.71 2whw s VAL 388 N -1.81 2.15 -0.11 -1.59 0.11 -1.26 -5.07 120.40 112.82 2whw s VAL 388 Ca 0.64 -1.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.55 2whw s VAL 388 Cb -0.20 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.80 2whw s VAL 388 CO 0.24 0.56 0.28 0.26 -3.33 0.00 0.00 175.10 173.12 2whw s TRP 389 N 0.04 3.57 0.51 1.54 0.52 -1.26 -0.61 118.94 123.25 2whw s TRP 389 Ca -0.09 0.68 -0.23 0.00 0.02 0.00 0.00 56.10 56.48 2whw s TRP 389 Cb -0.15 -2.21 -0.06 0.00 -1.15 0.00 0.00 33.47 29.89 2whw s TRP 389 CO 0.06 0.49 1.39 0.71 0.02 0.00 0.00 176.95 179.61 2whw s TYR 390 N -0.37 2.34 0.11 -1.98 1.51 0.22 -4.81 117.35 114.38 2whw s TYR 390 Ca 0.18 1.33 0.19 0.00 -1.01 0.00 0.00 57.07 57.76 2whw s TYR 390 Cb -0.14 -3.85 0.65 0.00 -0.11 0.00 0.00 41.96 38.51 2whw s TYR 390 CO 0.06 -2.93 1.71 -1.35 -1.11 0.00 0.00 175.55 171.94 2whw h PRO 391 N 1.79 0.00 -3.96 -1.71 0.11 -1.90 -3.43 132.00 122.89 2whw h PRO 391 Ca -0.51 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 2whw h PRO 391 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 2whw h PRO 391 CO 0.59 0.36 0.41 -1.71 -0.21 0.00 0.00 178.00 177.44 2whw n ASN 392 N -3.45 0.72 -0.07 -2.05 2.85 -1.26 -4.84 115.26 107.14 2whw n ASN 392 Ca 0.00 0.78 0.15 0.00 -0.11 0.00 0.00 54.58 55.40 2whw n ASN 392 Cb 0.52 -0.58 0.75 0.00 1.24 0.00 0.00 39.78 41.71 2whw n ASN 392 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2whw n PRO 393 N 2.47 0.77 0.03 1.20 -0.04 -1.26 -2.74 135.00 135.43 2whw n PRO 393 Ca 0.20 -0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2whw n PRO 393 Cb -0.03 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.80 2whw n PRO 393 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2whw h MET 394 N 0.36 0.11 -5.69 0.54 4.05 -1.88 -3.26 114.93 109.16 2whw h MET 394 Ca 0.00 -0.19 -0.66 0.00 -0.28 0.00 0.00 59.70 58.56 2whw h MET 394 Cb 0.24 0.07 -0.21 0.00 -0.80 0.00 0.00 31.60 30.91 2whw h MET 394 CO 0.00 0.90 -0.69 0.42 0.23 0.00 0.00 176.91 177.77 2whw s ILE 395 N -2.63 3.71 -0.46 1.77 1.01 -1.11 -0.22 121.20 123.27 2whw s ILE 395 Ca -0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2whw s ILE 395 Cb 0.08 -2.57 0.09 0.00 0.01 0.00 0.00 42.46 40.07 2whw s ILE 395 CO 0.83 0.55 0.35 -0.60 0.00 0.00 0.00 174.94 176.07 2whw s ARG 396 N -0.19 2.76 -0.13 2.79 6.06 -0.36 -4.59 118.95 125.28 2whw s ARG 396 Ca 0.03 -1.52 -0.13 0.00 -2.50 0.00 0.00 55.73 51.61 2whw s ARG 396 Cb -0.13 -3.99 0.04 0.00 0.06 0.00 0.00 34.95 30.92 2whw s ARG 396 CO 0.03 -1.07 0.37 0.20 -2.50 0.00 0.00 175.30 172.32 2whw s GLY 397 N 2.59 -0.27 0.29 8.12 0.00 -1.26 -4.55 107.32 112.24 2whw s GLY 397 Ca 0.04 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 45.64 2whw s GLY 397 CO 0.03 0.85 0.64 1.08 0.00 0.00 0.00 173.10 175.70 2whw s LEU 398 N 0.07 4.08 0.23 0.66 1.43 -1.26 -0.61 118.68 123.27 2whw s LEU 398 Ca -0.01 1.06 0.11 0.00 -1.03 0.00 0.00 54.13 54.25 2whw s LEU 398 Cb -0.03 -3.85 0.16 0.00 0.03 0.00 0.00 46.19 42.50 2whw s LEU 398 CO 0.01 -0.17 1.49 0.11 0.23 0.00 0.00 176.35 178.02 2whw h LYS 399 N 2.19 0.00 -2.00 1.70 1.57 -1.20 -3.45 116.57 115.38 2whw h LYS 399 Ca -0.47 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.34 2whw h LYS 399 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.30 2whw h LYS 399 CO 0.67 0.72 0.39 0.00 -0.57 0.00 0.00 179.45 180.66 2whw s ALA 400 N -3.22 -1.83 -0.38 3.86 0.00 -1.26 -4.99 121.76 113.94 2whw s ALA 400 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2whw s ALA 400 Cb 0.11 -0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.27 2whw s ALA 400 CO 0.77 -0.46 0.20 -1.17 0.00 0.00 0.00 175.76 175.11 2whw s LEU 401 N -1.60 1.98 -0.04 0.00 2.96 -1.26 -4.73 118.68 115.99 2whw s LEU 401 Ca -0.03 -2.27 -0.30 0.00 -0.22 0.00 0.00 54.13 51.31 2whw s LEU 401 Cb -0.00 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 2whw s LEU 401 CO 0.00 -0.31 1.37 -2.84 -1.32 0.00 0.00 176.35 173.26 2whw s PRO 402 N 0.85 4.28 0.33 0.98 0.02 -1.26 -0.74 135.00 139.46 2whw s PRO 402 Ca 0.16 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.14 2whw s PRO 402 Cb -0.23 -3.64 -0.06 0.00 0.02 0.00 0.00 34.50 30.59 2whw s PRO 402 CO -0.05 -0.60 -0.01 0.96 -0.33 0.00 0.00 177.00 176.97 2whw s ILE 403 N 2.69 1.62 0.18 2.83 -4.36 0.67 -0.88 121.20 123.96 2whw s ILE 403 Ca 0.62 -2.06 -0.09 0.00 -0.26 0.00 0.00 60.65 58.86 2whw s ILE 403 Cb -0.29 -2.70 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 2whw s ILE 403 CO 0.24 -0.13 0.31 0.00 0.24 0.00 0.00 174.94 175.61 2whw s ARG 404 N -3.77 1.24 0.32 0.37 1.70 -0.27 -1.44 118.95 117.10 2whw s ARG 404 Ca 0.33 -1.22 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 2whw s ARG 404 Cb 0.07 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2whw s ARG 404 CO 0.15 -0.47 0.52 1.67 -1.08 0.00 0.00 175.30 176.09 2whw s TRP 405 N -3.99 0.70 -0.32 5.89 -2.14 -0.21 -0.45 118.94 118.42 2whw s TRP 405 Ca 0.20 -1.04 -0.29 0.00 2.66 0.00 0.00 56.10 57.63 2whw s TRP 405 Cb 0.03 0.14 0.01 0.00 -3.10 0.00 0.00 33.47 30.55 2whw s TRP 405 CO 0.03 -1.16 1.25 0.50 -2.66 0.00 0.00 176.95 174.91 2whw s ARG 406 N -3.24 3.93 0.00 3.25 3.52 0.14 -4.81 118.95 121.74 2whw s ARG 406 Ca 0.26 1.17 0.22 0.00 -0.13 0.00 0.00 55.73 57.24 2whw s ARG 406 Cb -0.01 -3.86 0.18 0.00 -1.56 0.00 0.00 34.95 29.70 2whw s ARG 406 CO 0.15 -1.10 1.20 2.89 -0.81 0.00 0.00 175.30 177.63