#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uww h LEU 12 N 0.00 0.58 -0.46 -2.12 7.12 -2.05 -1.51 115.31 116.88 2uww h LEU 12 Ca 0.00 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.88 2uww h LEU 12 Cb 0.00 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2uww h LEU 12 CO 0.00 0.41 -0.20 0.00 -0.13 0.00 0.00 178.44 178.52 2uww h ALA 13 N 1.66 0.64 -0.53 1.25 0.00 -2.05 -0.06 119.26 120.17 2uww h ALA 13 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2uww h ALA 13 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2uww h ALA 13 CO -0.06 0.61 0.30 0.77 0.00 0.00 0.00 179.25 180.87 2uww h SER 14 N 0.78 0.66 -0.60 0.00 0.02 -1.86 -1.15 113.55 111.39 2uww h SER 14 Ca 0.10 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2uww h SER 14 Cb 0.77 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2uww h SER 14 CO 0.06 0.55 0.26 0.25 -1.14 0.00 0.00 176.83 176.82 2uww h LEU 15 N 0.71 0.81 -0.57 5.07 5.85 -1.21 -2.02 115.31 123.95 2uww h LEU 15 Ca 0.19 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2uww h LEU 15 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2uww h LEU 15 CO -0.03 0.74 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 2uww h ALA 16 N 1.10 0.74 -0.24 1.25 0.00 -0.66 -0.92 119.26 120.54 2uww h ALA 16 Ca 0.20 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2uww h ALA 16 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2uww h ALA 16 CO -0.02 0.31 -0.60 0.97 0.00 0.00 0.00 179.25 179.91 2uww h ILE 17 N 0.78 1.28 -0.28 0.00 6.09 -1.10 -0.18 117.51 124.11 2uww h ILE 17 Ca 0.20 -1.79 -0.02 0.00 -1.37 0.00 0.00 64.86 61.87 2uww h ILE 17 Cb 0.13 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.18 2uww h ILE 17 CO -0.02 0.58 0.10 0.22 -3.07 0.00 0.00 178.15 175.95 2uww h TYR 18 N 0.58 0.43 -0.86 2.19 3.20 -1.34 -1.64 116.97 119.54 2uww h TYR 18 Ca -0.01 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2uww h TYR 18 Cb 1.22 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 2uww h TYR 18 CO 0.08 0.45 0.55 0.77 -1.64 0.00 0.00 178.16 178.37 2uww h SER 19 N 0.29 0.90 -0.49 -2.11 0.02 -1.08 -2.43 113.55 108.66 2uww h SER 19 Ca 0.09 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2uww h SER 19 Cb 0.21 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2uww h SER 19 CO -0.01 0.61 0.27 0.15 -1.14 0.00 0.00 176.83 176.71 2uww h PHE 20 N 1.05 0.66 -0.22 3.45 3.57 -0.50 -0.11 116.94 124.83 2uww h PHE 20 Ca 0.35 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2uww h PHE 20 Cb 0.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2uww h PHE 20 CO -0.02 0.49 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.88 2uww h TRP 21 N 0.64 0.41 -0.27 0.41 4.06 -1.07 0.21 115.95 120.35 2uww h TRP 21 Ca 0.17 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 2uww h TRP 21 Cb 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 2uww h TRP 21 CO -0.02 0.54 -0.01 0.82 -3.56 0.00 0.00 178.44 176.21 2uww h ILE 22 N 0.35 1.26 -0.55 1.49 2.04 -1.06 -1.77 117.51 119.28 2uww h ILE 22 Ca 0.06 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.00 2uww h ILE 22 Cb 0.51 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2uww h ILE 22 CO 0.03 0.30 0.33 0.15 0.00 0.00 0.00 178.15 178.96 2uww h PHE 23 N 0.25 0.61 -0.73 1.37 3.57 -0.47 -2.18 116.94 119.37 2uww h PHE 23 Ca 0.07 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2uww h PHE 23 Cb 0.45 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2uww h PHE 23 CO 0.04 0.35 0.24 1.25 -2.23 0.00 0.00 178.31 177.95 2uww h LEU 24 N 0.65 1.06 -0.39 0.59 5.85 -0.42 0.21 115.31 122.86 2uww h LEU 24 Ca 0.22 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2uww h LEU 24 Cb 0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2uww h LEU 24 CO -0.10 0.98 0.22 0.00 -0.34 0.00 0.00 178.44 179.20 2uww h ALA 25 N 1.12 0.49 -0.77 1.25 0.00 -1.07 -0.49 119.26 119.78 2uww h ALA 25 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2uww h ALA 25 Cb 0.30 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2uww h ALA 25 CO -0.01 -0.13 0.45 0.78 0.00 0.00 0.00 179.25 180.34 2uww h GLY 26 N 0.44 1.15 0.91 0.00 0.00 -0.85 -1.52 103.07 103.20 2uww h GLY 26 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2uww h GLY 26 CO -0.09 0.19 0.05 -2.00 0.00 0.00 0.00 176.54 174.70 2uww h LEU 27 N 0.81 0.56 -0.93 3.11 5.85 -0.06 -0.87 115.31 123.78 2uww h LEU 27 Ca 0.34 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2uww h LEU 27 Cb 0.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2uww h LEU 27 CO -0.19 0.68 0.10 0.40 -0.34 0.00 0.00 178.44 179.10 2uww h ILE 28 N 0.42 1.24 0.04 4.05 2.04 -0.97 0.20 117.51 124.53 2uww h ILE 28 Ca 0.11 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 2uww h ILE 28 Cb 0.36 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2uww h ILE 28 CO 0.01 0.33 -0.02 0.22 0.00 0.00 0.00 178.15 178.69 2uww h TYR 29 N 0.85 -0.06 -0.40 1.37 3.20 -1.08 0.40 116.97 121.25 2uww h TYR 29 Ca 0.18 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.12 2uww h TYR 29 Cb 0.36 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 2uww h TYR 29 CO 0.02 0.07 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.65 2uww h TYR 30 N -0.17 -0.10 -0.16 -3.82 3.20 -0.82 -1.72 116.97 113.38 2uww h TYR 30 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2uww h TYR 30 Cb 0.15 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2uww h TYR 30 CO -0.04 -0.12 0.04 -0.07 -1.64 0.00 0.00 178.16 176.34 2uww h LEU 31 N 0.06 0.24 -0.25 2.82 3.38 -0.40 -0.02 115.31 121.13 2uww h LEU 31 Ca 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2uww h LEU 31 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2uww h LEU 31 CO -0.36 0.40 0.15 -0.61 0.09 0.00 0.00 178.44 178.11 2uww h GLN 32 N 0.07 0.34 -0.39 1.13 5.75 -0.86 -1.65 115.11 119.51 2uww h GLN 32 Ca 0.05 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2uww h GLN 32 Cb 0.25 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2uww h GLN 32 CO -0.00 0.27 -0.03 1.79 -2.65 0.00 0.00 178.83 178.21 2uww h THR 33 N 0.32 1.23 -0.83 2.39 1.35 -1.20 -1.42 112.91 114.74 2uww h THR 33 Ca 0.09 -0.95 0.07 0.00 -0.55 0.00 0.00 66.41 65.07 2uww h THR 33 Cb 0.01 0.96 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 2uww h THR 33 CO -0.02 0.33 0.54 -0.33 -0.25 0.00 0.00 175.52 175.79 2uww h GLU 34 N 0.60 0.86 -0.15 4.72 4.39 -0.71 -1.96 114.58 122.33 2uww h GLU 34 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2uww h GLU 34 Cb 0.43 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2uww h GLU 34 CO 0.02 0.57 0.00 0.09 -1.16 0.00 0.00 179.01 178.53 2uww n ASN 35 N -4.49 0.52 -0.86 1.42 3.02 -0.55 -2.91 115.26 111.40 2uww n ASN 35 Ca 0.13 -2.01 0.08 0.00 -0.03 0.00 0.00 54.58 52.75 2uww n ASN 35 Cb 0.24 -0.09 0.25 0.00 -0.61 0.00 0.00 39.78 39.57 2uww n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2uww n MET 36 N -0.24 2.83 0.11 3.52 2.81 -0.74 -4.58 117.12 120.84 2uww n MET 36 Ca 0.03 -2.84 0.13 0.00 -1.81 0.00 0.00 57.70 53.20 2uww n MET 36 Cb 0.09 -1.83 0.42 0.00 -0.71 0.00 0.00 33.22 31.19 2uww n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2uww n ARG 37 N -0.57 0.25 -4.35 0.03 1.74 -1.15 -4.47 116.66 108.14 2uww n ARG 37 Ca 0.21 0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 57.30 2uww n ARG 37 Cb 0.89 -1.81 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 2uww n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2uww s GLU 38 N -3.13 1.16 0.00 5.56 0.41 -1.26 -3.99 118.70 117.45 2uww s GLU 38 Ca 0.10 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 2uww s GLU 38 Cb 0.12 -1.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.08 2uww s GLU 38 CO 0.56 0.33 0.00 0.41 -0.49 0.00 0.00 175.26 176.07 2uww n GLY 39 N 1.26 2.13 3.59 -1.39 0.00 -1.26 -5.02 105.19 104.50 2uww n GLY 39 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2uww n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uww s TYR 40 N -2.86 2.71 0.64 1.61 1.51 -1.26 -4.31 117.35 115.39 2uww s TYR 40 Ca 0.00 -0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 2uww s TYR 40 Cb 0.00 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2uww s TYR 40 CO 0.00 0.48 1.20 -2.14 -1.11 0.00 0.00 175.55 173.98 2uww s PRO 41 N -2.64 2.69 0.67 -1.71 0.02 -1.26 -4.85 135.00 127.92 2uww s PRO 41 Ca 0.24 1.77 -0.17 0.00 0.02 0.00 0.00 61.00 62.86 2uww s PRO 41 Cb -0.10 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2uww s PRO 41 CO 0.15 -1.41 1.23 -0.51 -0.33 0.00 0.00 177.00 176.13 2uww s LEU 42 N -4.49 3.49 0.15 -5.54 1.43 -1.26 -4.92 118.68 107.55 2uww s LEU 42 Ca 0.76 2.44 0.08 0.00 -1.03 0.00 0.00 54.13 56.37 2uww s LEU 42 Cb -0.29 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.29 2uww s LEU 42 CO 0.38 -1.99 -0.18 -1.61 0.23 0.00 0.00 176.35 173.18 2uww s GLU 43 N -3.60 1.22 0.96 1.70 2.02 -1.26 -1.25 118.70 118.49 2uww s GLU 43 Ca 0.78 -1.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 2uww s GLU 43 Cb -0.32 -1.25 0.16 0.00 0.10 0.00 0.00 34.13 32.83 2uww s GLU 43 CO 0.40 0.25 1.10 -0.80 0.02 0.00 0.00 175.26 176.24 2uww s ASN 44 N -2.58 3.01 0.59 -0.19 0.01 0.72 -4.61 114.94 111.89 2uww s ASN 44 Ca 0.14 1.19 0.35 0.00 -0.71 0.00 0.00 52.86 53.83 2uww s ASN 44 Cb -0.06 -1.84 1.89 0.00 0.41 0.00 0.00 41.25 41.65 2uww s ASN 44 CO 0.06 -2.89 2.06 -0.33 -1.51 0.00 0.00 177.10 174.48 2uww h GLU 45 N -1.73 0.00 -0.19 -0.60 5.08 -2.01 -1.08 114.58 114.05 2uww h GLU 45 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2uww h GLU 45 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2uww h GLU 45 CO 0.58 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 2uww n ASP 46 N -2.82 2.39 0.00 1.42 5.68 -1.26 -4.95 116.55 117.01 2uww n ASP 46 Ca -0.02 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2uww n ASP 46 Cb 0.17 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2uww n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uww n GLY 47 N 1.29 0.90 3.89 6.12 0.00 -0.41 -5.06 105.19 111.91 2uww n GLY 47 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2uww n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uww s THR 48 N -2.75 4.83 0.27 2.61 -4.23 -1.26 -4.80 115.64 110.31 2uww s THR 48 Ca 0.00 0.48 -0.31 0.00 -1.18 0.00 0.00 61.69 60.69 2uww s THR 48 Cb 0.00 -3.80 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 2uww s THR 48 CO 0.00 -0.70 1.63 -2.65 -0.54 0.00 0.00 174.62 172.36 2uww n PRO 49 N -1.80 2.72 -2.49 3.99 -0.02 -1.26 -0.20 135.00 135.95 2uww n PRO 49 Ca 0.02 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.13 2uww n PRO 49 Cb 0.54 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 2uww n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uww s ALA 50 N 0.29 2.84 0.16 3.55 0.00 -0.38 -4.57 121.76 123.65 2uww s ALA 50 Ca 0.67 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 2uww s ALA 50 Cb -0.50 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2uww s ALA 50 CO 0.44 -0.39 1.63 0.00 0.00 0.00 0.00 175.76 177.44 2uww h ALA 51 N 1.48 0.71 -2.36 0.00 0.00 -1.93 -3.40 119.26 113.76 2uww h ALA 51 Ca -0.50 -0.26 -0.72 0.00 0.00 0.00 0.00 54.91 53.43 2uww h ALA 51 Cb 1.23 -0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.61 2uww h ALA 51 CO 0.59 0.48 -0.32 1.21 0.00 0.00 0.00 179.25 181.21 2uww s ASN 52 N -6.33 6.15 0.00 0.00 2.47 -1.26 -4.89 114.94 111.07 2uww s ASN 52 Ca -0.12 -1.05 0.25 0.00 0.42 0.00 0.00 52.86 52.35 2uww s ASN 52 Cb 0.12 -2.19 0.49 0.00 -1.45 0.00 0.00 41.25 38.22 2uww s ASN 52 CO 0.82 -0.59 1.41 0.00 -3.72 0.00 0.00 177.10 175.02 2uww n GLN 53 N 5.32 1.56 0.00 0.43 1.13 -1.26 -4.93 117.38 119.64 2uww n GLN 53 Ca -0.11 -1.14 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 2uww n GLN 53 Cb 0.45 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.33 2uww n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uww n GLY 54 N 1.32 -1.35 0.06 1.08 0.00 -1.26 -4.64 105.19 100.40 2uww n GLY 54 Ca 0.14 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.74 2uww n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uww n PRO 55 N -1.30 0.17 -3.36 1.61 -0.04 -1.26 -4.77 135.00 126.05 2uww n PRO 55 Ca 0.00 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 2uww n PRO 55 Cb 0.00 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2uww n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2uww s PHE 56 N -3.07 3.42 0.57 0.54 0.08 -1.26 -5.09 117.98 113.17 2uww s PHE 56 Ca 0.11 0.71 -0.08 0.00 0.12 0.00 0.00 56.93 57.79 2uww s PHE 56 Cb 0.15 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 2uww s PHE 56 CO 0.60 0.05 0.93 -1.25 -0.10 0.00 0.00 175.22 175.45 2uww s PRO 57 N 1.08 3.48 0.46 0.24 0.04 -1.26 -5.04 135.00 134.00 2uww s PRO 57 Ca 0.21 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 2uww s PRO 57 Cb -0.15 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 2uww s PRO 57 CO 0.08 -0.46 1.32 -0.51 0.04 0.00 0.00 177.00 177.47 2uww s LEU 58 N -5.01 4.08 0.74 -3.56 1.43 -1.26 -4.85 118.68 110.26 2uww s LEU 58 Ca 0.52 2.69 -0.11 0.00 -1.03 0.00 0.00 54.13 56.20 2uww s LEU 58 Cb -0.11 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.11 2uww s LEU 58 CO 0.50 -1.10 1.08 -2.16 0.23 0.00 0.00 176.35 174.89 2uww s PRO 59 N -2.51 2.52 0.47 1.29 0.04 -1.26 -5.02 135.00 130.54 2uww s PRO 59 Ca 0.62 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 2uww s PRO 59 Cb -0.38 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2uww s PRO 59 CO 0.48 -1.39 1.30 1.63 0.04 0.00 0.00 177.00 179.07 2uww n LYS 60 N -3.32 1.85 -1.87 4.56 5.02 -1.26 -4.61 118.16 118.53 2uww n LYS 60 Ca 0.08 0.67 -0.37 0.00 -2.02 0.00 0.00 58.31 56.67 2uww n LYS 60 Cb 0.54 -2.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.14 2uww n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2uww s PRO 61 N -2.47 2.78 0.18 1.97 0.02 -1.26 -4.71 135.00 131.51 2uww s PRO 61 Ca 0.65 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.73 2uww s PRO 61 Cb -0.47 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 2uww s PRO 61 CO 0.55 -1.40 -0.17 -1.59 -0.33 0.00 0.00 177.00 174.06 2uww s LYS 62 N -3.32 1.30 -0.11 5.54 -2.85 -0.29 -4.94 119.74 115.07 2uww s LYS 62 Ca 0.80 -1.47 0.03 0.00 -1.00 0.00 0.00 55.97 54.32 2uww s LYS 62 Cb -0.35 -1.28 0.01 0.00 -2.06 0.00 0.00 37.83 34.16 2uww s LYS 62 CO 0.37 0.25 -0.19 0.99 0.10 0.00 0.00 175.35 176.87 2uww s THR 63 N -2.32 1.75 -0.16 3.79 2.01 -1.26 -1.88 115.64 117.58 2uww s THR 63 Ca 0.18 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 2uww s THR 63 Cb -0.04 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2uww s THR 63 CO 0.07 0.49 0.46 -0.36 -0.69 0.00 0.00 174.62 174.59 2uww s PHE 64 N 0.74 3.45 -0.29 4.92 0.08 0.58 -4.94 117.98 122.52 2uww s PHE 64 Ca -0.11 0.79 -0.22 0.00 0.12 0.00 0.00 56.93 57.51 2uww s PHE 64 Cb -0.16 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2uww s PHE 64 CO 0.02 0.08 0.72 0.42 -0.10 0.00 0.00 175.22 176.35 2uww s ILE 65 N 0.97 4.87 0.12 0.64 1.01 -1.26 -1.31 121.20 126.23 2uww s ILE 65 Ca 0.24 1.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.82 2uww s ILE 65 Cb -0.15 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2uww s ILE 65 CO 0.09 -0.16 0.57 -0.76 0.00 0.00 0.00 174.94 174.68 2uww s LEU 66 N 2.77 4.42 0.84 2.97 1.43 -0.27 -5.01 118.68 125.83 2uww s LEU 66 Ca 0.29 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 2uww s LEU 66 Cb -0.15 -3.13 0.10 0.00 0.03 0.00 0.00 46.19 43.04 2uww s LEU 66 CO 0.11 0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.82 2uww s PRO 67 N -1.59 1.69 -1.55 1.29 0.04 -1.26 -4.16 135.00 129.45 2uww s PRO 67 Ca 0.34 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 2uww s PRO 67 Cb -0.17 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2uww s PRO 67 CO 0.19 -1.85 0.16 0.72 0.04 0.00 0.00 177.00 176.26 2uww n HIS 68 N -3.56 -1.16 -1.07 0.56 8.25 -1.26 -2.62 115.22 114.37 2uww n HIS 68 Ca 0.07 0.14 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 2uww n HIS 68 Cb 0.58 -3.83 -0.01 0.00 1.12 0.00 0.00 29.99 27.85 2uww n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uww n GLY 69 N -1.15 0.56 0.00 -1.41 0.00 -1.26 -4.90 105.19 97.04 2uww n GLY 69 Ca -0.19 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.58 2uww n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uww n ARG 70 N -2.43 0.61 0.00 1.61 5.12 -1.08 -5.01 116.66 115.49 2uww n ARG 70 Ca -0.02 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2uww n ARG 70 Cb 0.14 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 2uww n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uww n GLY 71 N 1.02 1.09 3.24 -0.13 0.00 -1.26 -4.92 105.19 104.23 2uww n GLY 71 Ca 0.17 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 2uww n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uww s THR 72 N 0.00 0.01 -0.06 2.61 -4.23 -1.26 -1.12 115.64 111.59 2uww s THR 72 Ca 0.00 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2uww s THR 72 Cb 0.00 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.42 2uww s THR 72 CO 0.00 -0.03 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.77 2uww s LEU 73 N -3.14 1.35 -0.11 4.79 2.96 -0.43 -4.94 118.68 119.16 2uww s LEU 73 Ca 0.36 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2uww s LEU 73 Cb 0.06 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.18 2uww s LEU 73 CO 0.11 -0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.00 2uww s THR 74 N 0.98 2.39 -0.05 3.68 2.01 -1.26 -0.31 115.64 123.07 2uww s THR 74 Ca -0.10 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 2uww s THR 74 Cb -0.14 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.43 2uww s THR 74 CO 0.00 0.55 0.19 0.68 -0.69 0.00 0.00 174.62 175.34 2uww s VAL 75 N 0.40 0.02 0.73 3.82 -7.23 -0.79 -3.91 120.40 113.44 2uww s VAL 75 Ca -0.15 -0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 59.72 2uww s VAL 75 Cb -0.17 -0.32 0.03 0.00 0.56 0.00 0.00 36.38 36.48 2uww s VAL 75 CO 0.07 -0.09 1.11 -2.16 -0.31 0.00 0.00 175.10 173.72 2uww s PRO 76 N -0.27 2.41 0.31 4.82 0.04 -1.26 -1.14 135.00 139.92 2uww s PRO 76 Ca -0.04 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2uww s PRO 76 Cb -0.03 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2uww s PRO 76 CO 0.01 -1.55 0.48 0.20 0.04 0.00 0.00 177.00 176.18 2uww s GLY 77 N -2.84 1.10 0.07 0.56 0.00 -1.25 -4.77 107.32 100.19 2uww s GLY 77 Ca 0.65 -1.27 -0.36 0.00 0.00 0.00 0.00 44.72 43.75 2uww s GLY 77 CO 0.48 -0.85 1.48 -1.05 0.00 0.00 0.00 173.10 173.16 2uww n PRO 78 N -0.49 1.53 -4.04 2.90 -0.02 -1.26 -4.94 135.00 128.68 2uww n PRO 78 Ca -0.01 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 2uww n PRO 78 Cb 0.62 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 2uww n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2uww s GLU 79 N 1.03 3.69 -0.11 -0.52 0.41 -1.26 -5.09 118.70 116.85 2uww s GLU 79 Ca 0.84 -0.31 -0.19 0.00 -0.41 0.00 0.00 54.97 54.90 2uww s GLU 79 Cb -0.86 -3.14 0.04 0.00 -1.78 0.00 0.00 34.13 28.40 2uww s GLU 79 CO 0.46 0.46 0.47 -1.54 -0.49 0.00 0.00 175.26 174.62 2uww s SER 80 N -0.16 -0.45 0.36 -0.19 1.04 -1.26 -5.05 113.70 107.99 2uww s SER 80 Ca 0.08 0.67 0.06 0.00 0.48 0.00 0.00 55.95 57.24 2uww s SER 80 Cb -0.12 0.71 0.67 0.00 0.10 0.00 0.00 66.02 67.38 2uww s SER 80 CO 0.01 -0.34 1.89 -0.33 0.98 0.00 0.00 173.24 175.46 2uww h GLU 81 N 4.47 0.41 -2.40 4.02 4.39 -2.02 -3.47 114.58 119.99 2uww h GLU 81 Ca -0.28 -0.09 -0.38 0.00 0.34 0.00 0.00 59.36 58.95 2uww h GLU 81 Cb 1.17 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 2uww h GLU 81 CO 0.29 0.49 -0.46 -0.25 -1.16 0.00 0.00 179.01 177.91 2uww n ASP 82 N -4.28 -5.44 -3.52 1.42 8.00 -1.26 -4.43 116.55 107.04 2uww n ASP 82 Ca 0.01 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 2uww n ASP 82 Cb 0.25 -4.51 -0.05 0.00 -0.02 0.00 0.00 41.12 36.80 2uww n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uww s ARG 83 N -4.72 0.93 0.39 -1.24 1.70 -1.26 -4.92 118.95 109.83 2uww s ARG 83 Ca 0.00 0.03 -0.25 0.00 -0.47 0.00 0.00 55.73 55.04 2uww s ARG 83 Cb 0.00 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 2uww s ARG 83 CO 0.00 -0.33 1.12 -1.25 -1.08 0.00 0.00 175.30 173.76 2uww s PRO 84 N -1.85 4.14 -0.28 3.89 0.04 -1.26 -5.03 135.00 134.64 2uww s PRO 84 Ca -0.04 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2uww s PRO 84 Cb -0.00 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.94 2uww s PRO 84 CO 0.01 -0.21 -0.06 0.42 0.04 0.00 0.00 177.00 177.20 2uww s ILE 85 N -1.48 2.16 -1.42 0.56 1.01 -1.26 -5.04 121.20 115.73 2uww s ILE 85 Ca 0.56 -1.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.30 2uww s ILE 85 Cb -0.28 -2.36 0.06 0.00 0.01 0.00 0.00 42.46 39.90 2uww s ILE 85 CO 0.35 -0.19 2.26 0.00 0.00 0.00 0.00 174.94 177.35 2uww n ALA 86 N 4.40 5.94 -2.49 9.38 0.00 -1.26 -4.87 120.51 131.60 2uww n ALA 86 Ca -0.09 -3.97 -0.14 0.00 0.00 0.00 0.00 53.44 49.23 2uww n ALA 86 Cb 0.42 -3.28 -0.11 0.00 0.00 0.00 0.00 19.45 16.49 2uww n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uww s LEU 87 N 0.78 2.40 0.02 0.00 1.43 -1.26 -1.27 118.68 120.78 2uww s LEU 87 Ca 0.49 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2uww s LEU 87 Cb 0.14 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2uww s LEU 87 CO -0.06 -0.26 -0.03 0.00 0.23 0.00 0.00 176.35 176.23 2uww s ALA 88 N -2.43 0.17 0.47 4.21 0.00 -0.18 -4.85 121.76 119.16 2uww s ALA 88 Ca 0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 2uww s ALA 88 Cb -0.03 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 2uww s ALA 88 CO -0.00 -0.18 0.99 0.54 0.00 0.00 0.00 175.76 177.10 2uww n ARG 89 N 1.41 1.24 0.00 0.00 1.74 -1.26 -0.80 116.66 118.99 2uww n ARG 89 Ca -0.23 0.45 0.05 0.00 -0.77 0.00 0.00 57.85 57.36 2uww n ARG 89 Cb 0.56 -2.07 0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2uww n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2uww n THR 90 N -0.81 0.00 -4.22 0.55 -2.24 -1.18 -4.73 114.28 101.64 2uww n THR 90 Ca 0.10 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2uww n THR 90 Cb 0.41 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 2uww n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uww s ALA 91 N -1.01 1.25 -2.46 6.98 0.00 -1.26 -5.04 121.76 120.22 2uww s ALA 91 Ca 0.12 -1.66 0.28 0.00 0.00 0.00 0.00 51.96 50.70 2uww s ALA 91 Cb 0.09 1.00 0.95 0.00 0.00 0.00 0.00 23.12 25.15 2uww s ALA 91 CO 0.16 -0.48 1.69 1.33 0.00 0.00 0.00 175.76 178.46 2uww n VAL 92 N -0.26 0.00 -4.26 0.00 0.24 -1.26 -4.92 118.33 107.87 2uww n VAL 92 Ca -0.02 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 2uww n VAL 92 Cb 0.65 0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 33.49 2uww n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2uww s SER 93 N -2.05 0.79 0.56 -1.34 1.04 -1.26 -5.15 113.70 106.30 2uww s SER 93 Ca 0.36 -1.35 -0.19 0.00 0.48 0.00 0.00 55.95 55.25 2uww s SER 93 Cb 0.21 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 2uww s SER 93 CO 0.35 -0.75 1.16 -1.61 0.98 0.00 0.00 173.24 173.37 2uww s GLU 94 N -4.06 3.20 0.00 4.02 2.02 -1.26 -4.24 118.70 118.38 2uww s GLU 94 Ca 0.35 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2uww s GLU 94 Cb 0.07 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.33 2uww s GLU 94 CO 0.11 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.81 2uww n GLY 95 N 0.27 0.76 3.91 -1.39 0.00 -1.26 -5.09 105.19 102.39 2uww n GLY 95 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2uww n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uww s PHE 96 N -2.00 2.98 0.79 1.61 0.40 -1.26 -5.11 117.98 115.40 2uww s PHE 96 Ca 0.00 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 2uww s PHE 96 Cb 0.00 -1.89 0.07 0.00 0.51 0.00 0.00 43.02 41.71 2uww s PHE 96 CO 0.00 0.09 1.12 -2.14 0.70 0.00 0.00 175.22 174.99 2uww s PRO 97 N -4.08 1.96 -0.19 0.24 0.02 -1.26 -4.89 135.00 126.81 2uww s PRO 97 Ca 0.43 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 2uww s PRO 97 Cb -0.07 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.61 2uww s PRO 97 CO 0.28 -1.90 -0.14 -1.01 -0.33 0.00 0.00 177.00 173.90 2uww s HIS 98 N -2.63 2.84 0.15 6.54 3.76 -1.26 -3.07 115.29 121.61 2uww s HIS 98 Ca 0.65 -1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 2uww s HIS 98 Cb -0.21 -1.97 -0.07 0.00 1.11 0.00 0.00 32.58 31.44 2uww s HIS 98 CO 0.53 -0.66 0.93 0.00 -0.85 0.00 0.00 174.74 174.69 2uww s ALA 99 N 1.26 3.30 0.21 -1.40 0.00 0.02 -4.70 121.76 120.45 2uww s ALA 99 Ca 0.03 0.55 -0.32 0.00 0.00 0.00 0.00 51.96 52.22 2uww s ALA 99 Cb -0.14 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 2uww s ALA 99 CO -0.07 0.07 1.46 -2.30 0.00 0.00 0.00 175.76 174.92 2uww n PRO 100 N 2.31 2.03 0.07 0.00 -0.02 -1.26 -1.01 135.00 137.11 2uww n PRO 100 Ca 0.00 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 2uww n PRO 100 Cb 0.49 -2.42 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 2uww n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uww n THR 101 N 2.39 0.39 0.00 3.45 -2.24 -0.40 -4.87 114.28 113.01 2uww n THR 101 Ca 0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2uww n THR 101 Cb 0.30 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2uww n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uww n GLY 102 N 1.35 5.20 3.53 3.38 0.00 -1.26 -5.08 105.19 112.31 2uww n GLY 102 Ca 0.04 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2uww n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uww s ASP 103 N 1.00 6.35 0.45 1.61 -1.08 -1.26 -4.94 116.67 118.80 2uww s ASP 103 Ca 0.00 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.01 2uww s ASP 103 Cb 0.00 -2.32 1.06 0.00 -1.46 0.00 0.00 42.92 40.20 2uww s ASP 103 CO 0.00 -0.71 1.98 1.55 0.52 0.00 0.00 175.17 178.51 2uww h PRO 104 N 8.74 0.00 -0.04 4.34 0.13 -1.94 0.23 132.00 143.45 2uww h PRO 104 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2uww h PRO 104 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2uww h PRO 104 CO 0.87 0.20 -0.00 0.52 -0.23 0.00 0.00 178.00 179.36 2uww h MET 105 N 0.00 0.08 -0.43 0.86 2.86 -1.92 0.38 114.93 116.76 2uww h MET 105 Ca -0.00 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2uww h MET 105 Cb 0.39 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2uww h MET 105 CO 0.03 0.38 -0.01 0.87 1.06 0.00 0.00 176.91 179.24 2uww h LYS 106 N -0.23 0.69 -0.00 1.72 1.57 -1.81 -3.11 116.57 115.41 2uww h LYS 106 Ca 0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2uww h LYS 106 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2uww h LYS 106 CO 0.00 0.71 -0.32 -0.25 -0.57 0.00 0.00 179.45 179.02 2uww n ASP 107 N -4.23 0.36 -2.51 0.86 8.00 0.74 -4.97 116.55 114.80 2uww n ASP 107 Ca 0.02 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 2uww n ASP 107 Cb 0.28 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.44 2uww n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uww n GLY 108 N 1.49 -0.09 3.51 0.44 0.00 0.09 -4.75 105.19 105.88 2uww n GLY 108 Ca 0.06 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2uww n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uww s VAL 109 N -3.22 0.78 0.00 1.61 -7.23 -1.00 -3.82 120.40 107.51 2uww s VAL 109 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2uww s VAL 109 Cb -0.00 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2uww s VAL 109 CO 0.45 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 2uww n GLY 110 N -0.88 2.32 0.00 2.32 0.00 -1.26 -1.46 105.19 106.23 2uww n GLY 110 Ca -0.06 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.64 2uww n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uww n PRO 111 N 10.88 0.22 -0.10 1.61 -0.04 -1.26 -1.56 135.00 144.74 2uww n PRO 111 Ca 0.00 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 2uww n PRO 111 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 2uww n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uww n ALA 112 N -1.31 2.49 -1.75 0.55 0.00 -0.54 -2.98 120.51 116.97 2uww n ALA 112 Ca 0.08 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 2uww n ALA 112 Cb 0.14 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.60 2uww n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2uww s SER 113 N -1.18 5.34 0.16 0.00 0.01 -0.60 -3.93 113.70 113.50 2uww s SER 113 Ca 0.21 2.75 0.06 0.00 1.31 0.00 0.00 55.95 60.28 2uww s SER 113 Cb 0.11 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2uww s SER 113 CO 0.16 -1.52 -0.13 -1.66 0.41 0.00 0.00 173.24 170.50 2uww s TRP 114 N -1.31 1.47 0.03 2.43 1.48 -1.25 -4.32 118.94 117.46 2uww s TRP 114 Ca 0.71 -0.63 0.02 0.00 -1.06 0.00 0.00 56.10 55.14 2uww s TRP 114 Cb -0.40 -0.73 -0.04 0.00 -1.16 0.00 0.00 33.47 31.15 2uww s TRP 114 CO 0.47 0.20 0.00 0.08 -4.06 0.00 0.00 176.95 173.65 2uww s VAL 115 N -2.84 4.12 -1.17 -0.66 1.01 -1.26 -5.01 120.40 114.60 2uww s VAL 115 Ca 0.16 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2uww s VAL 115 Cb -0.01 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 2uww s VAL 115 CO 0.04 0.30 2.26 0.00 0.00 0.00 0.00 175.10 177.70 2uww n ALA 116 N 1.15 5.13 -1.39 5.51 0.00 -1.26 -4.84 120.51 124.80 2uww n ALA 116 Ca -0.13 -3.19 -0.30 0.00 0.00 0.00 0.00 53.44 49.82 2uww n ALA 116 Cb 0.52 -3.40 0.11 0.00 0.00 0.00 0.00 19.45 16.68 2uww n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2uww s ARG 117 N 3.55 1.70 0.22 0.00 0.52 -1.26 -4.95 118.95 118.72 2uww s ARG 117 Ca 0.53 0.72 -0.32 0.00 -0.52 0.00 0.00 55.73 56.14 2uww s ARG 117 Cb 0.14 -1.87 -0.14 0.00 0.52 0.00 0.00 34.95 33.60 2uww s ARG 117 CO -0.01 -1.91 1.35 -2.13 0.02 0.00 0.00 175.30 172.62 2uww n ARG 118 N -3.64 1.84 -1.47 3.54 3.00 -1.26 -4.11 116.66 114.56 2uww n ARG 118 Ca 0.07 0.66 -0.28 0.00 -0.00 0.00 0.00 57.85 58.30 2uww n ARG 118 Cb 0.56 -2.28 -0.07 0.00 0.00 0.00 0.00 32.46 30.67 2uww n ARG 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2uww n ASP 119 N 2.12 6.75 -4.13 6.15 2.03 -1.26 -1.95 116.55 126.26 2uww n ASP 119 Ca 0.12 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 2uww n ASP 119 Cb 0.30 -1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 2uww n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2uww s LEU 120 N -1.46 2.42 0.44 -2.67 1.43 -1.26 -4.91 118.68 112.66 2uww s LEU 120 Ca 0.61 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 2uww s LEU 120 Cb 0.31 -0.12 -0.08 0.00 0.03 0.00 0.00 46.19 46.32 2uww s LEU 120 CO -0.13 -0.36 1.07 -2.84 0.23 0.00 0.00 176.35 174.32 2uww s PRO 121 N -2.98 3.94 0.38 1.29 0.02 -1.26 -0.62 135.00 135.77 2uww s PRO 121 Ca 0.04 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.30 2uww s PRO 121 Cb -0.01 -2.35 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 2uww s PRO 121 CO -0.03 -0.33 1.38 -2.00 -0.33 0.00 0.00 177.00 175.69 2uww s GLU 122 N -2.80 4.10 0.09 5.54 2.12 -1.26 -4.87 118.70 121.63 2uww s GLU 122 Ca 0.62 2.35 0.06 0.00 0.36 0.00 0.00 54.97 58.36 2uww s GLU 122 Cb -0.21 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2uww s GLU 122 CO 0.26 -0.45 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.99 2uww s LEU 123 N -2.15 3.31 0.00 2.70 1.43 -1.26 -1.37 118.68 121.35 2uww s LEU 123 Ca 0.53 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2uww s LEU 123 Cb -0.42 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 43.83 2uww s LEU 123 CO 0.56 0.18 0.56 -0.90 0.23 0.00 0.00 176.35 176.98 2uww n ASP 124 N 0.64 0.12 0.24 2.29 5.68 0.48 -4.74 116.55 121.26 2uww n ASP 124 Ca -0.12 -1.25 0.16 0.00 -0.50 0.00 0.00 54.79 53.09 2uww n ASP 124 Cb 0.52 -0.42 0.72 0.00 -1.14 0.00 0.00 41.12 40.80 2uww n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2uww h GLY 125 N -0.69 0.00 -2.32 6.12 0.00 -2.01 -1.43 103.07 102.74 2uww h GLY 125 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2uww h GLY 125 CO 0.14 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.10 2uww n HIS 126 N -2.77 0.48 -0.88 5.60 8.25 -1.26 -4.96 115.22 119.69 2uww n HIS 126 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2uww n HIS 126 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2uww n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uww n GLY 127 N 1.51 0.53 3.95 -1.41 0.00 -0.54 -5.05 105.19 104.18 2uww n GLY 127 Ca 0.19 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2uww n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uww s HIS 128 N -2.00 3.48 0.03 1.61 3.76 -1.26 -4.81 115.29 116.10 2uww s HIS 128 Ca 0.00 0.24 -0.33 0.00 -0.15 0.00 0.00 55.06 54.82 2uww s HIS 128 Cb 0.00 -1.80 -0.12 0.00 1.11 0.00 0.00 32.58 31.77 2uww s HIS 128 CO 0.00 0.21 1.83 0.09 -0.85 0.00 0.00 174.74 176.02 2uww n ASN 129 N -1.68 3.62 -0.29 1.40 3.02 -1.26 -0.39 115.26 119.69 2uww n ASN 129 Ca -0.06 0.99 -0.06 0.00 -0.03 0.00 0.00 54.58 55.42 2uww n ASN 129 Cb 0.56 -1.44 0.07 0.00 -0.61 0.00 0.00 39.78 38.36 2uww n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2uww h LYS 130 N 8.62 1.18 -5.29 3.52 3.64 -1.51 -3.43 116.57 123.30 2uww h LYS 130 Ca -0.48 -0.20 -0.65 0.00 -1.27 0.00 0.00 60.65 58.05 2uww h LYS 130 Cb 1.25 -0.20 -0.26 0.00 -0.41 0.00 0.00 32.23 32.61 2uww h LYS 130 CO 0.94 0.94 -0.75 0.42 -2.27 0.00 0.00 179.45 178.73 2uww s ILE 131 N -5.61 3.19 0.04 2.00 1.01 -1.26 -0.62 121.20 119.95 2uww s ILE 131 Ca -0.12 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 2uww s ILE 131 Cb 0.16 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2uww s ILE 131 CO 0.83 0.51 -0.04 -0.54 0.00 0.00 0.00 174.94 175.71 2uww s LYS 132 N 0.42 0.45 0.38 2.79 1.02 -0.47 -4.61 119.74 119.72 2uww s LYS 132 Ca -0.09 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 2uww s LYS 132 Cb -0.16 0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 37.14 2uww s LYS 132 CO 0.05 -0.06 1.42 -1.25 -0.92 0.00 0.00 175.35 174.59 2uww s PRO 133 N -2.33 4.07 0.40 -1.68 0.04 -1.26 -0.70 135.00 133.54 2uww s PRO 133 Ca -0.07 2.43 0.08 0.00 0.04 0.00 0.00 61.00 63.47 2uww s PRO 133 Cb -0.04 -2.91 0.85 0.00 0.04 0.00 0.00 34.50 32.44 2uww s PRO 133 CO -0.04 -0.51 2.02 1.98 0.04 0.00 0.00 177.00 180.50 2uww h MET 134 N 2.93 0.58 -0.05 4.56 4.05 -0.80 -1.12 114.93 125.08 2uww h MET 134 Ca -0.50 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 58.90 2uww h MET 134 Cb 1.24 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 2uww h MET 134 CO 0.64 0.38 0.08 1.57 0.23 0.00 0.00 176.91 179.81 2uww h LYS 135 N 0.60 0.00 -0.29 0.39 2.10 -1.90 0.80 116.57 118.27 2uww h LYS 135 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2uww h LYS 135 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2uww h LYS 135 CO -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.40 2uww n ALA 136 N -2.24 2.40 -3.48 0.07 0.00 -0.44 -4.86 120.51 111.96 2uww n ALA 136 Ca -0.02 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 52.11 2uww n ALA 136 Cb 0.17 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 2uww n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uww s ALA 137 N -1.38 3.18 0.20 0.00 0.00 0.27 -4.96 121.76 119.07 2uww s ALA 137 Ca 0.32 -2.21 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 2uww s ALA 137 Cb 0.19 -2.48 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 2uww s ALA 137 CO 0.27 -1.64 0.99 0.00 0.00 0.00 0.00 175.76 175.38 2uww s ALA 138 N 1.32 3.32 -0.92 0.00 0.00 -1.26 -0.68 121.76 123.54 2uww s ALA 138 Ca 0.03 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2uww s ALA 138 Cb -0.22 -3.26 0.24 0.00 0.00 0.00 0.00 23.12 19.87 2uww s ALA 138 CO -0.00 0.04 0.86 0.20 0.00 0.00 0.00 175.76 176.86 2uww s GLY 139 N -0.64 2.92 0.34 0.00 0.00 -1.26 -5.07 107.32 103.60 2uww s GLY 139 Ca 0.44 -3.58 -0.26 0.00 0.00 0.00 0.00 44.72 41.32 2uww s GLY 139 CO 0.33 1.26 1.00 -1.36 0.00 0.00 0.00 173.10 174.33 2uww s PHE 140 N -0.60 3.55 0.12 1.90 0.40 0.15 -5.07 117.98 118.43 2uww s PHE 140 Ca 0.24 1.73 -0.21 0.00 -0.60 0.00 0.00 56.93 58.09 2uww s PHE 140 Cb -0.11 -3.05 0.06 0.00 0.51 0.00 0.00 43.02 40.43 2uww s PHE 140 CO -0.08 -0.17 0.52 -3.38 0.70 0.00 0.00 175.22 172.81 2uww s HIS 141 N -1.54 -0.41 0.22 0.36 -3.43 -1.26 -4.93 115.29 104.29 2uww s HIS 141 Ca 0.51 0.22 -0.32 0.00 -0.80 0.00 0.00 55.06 54.68 2uww s HIS 141 Cb -0.22 0.42 -0.12 0.00 -1.43 0.00 0.00 32.58 31.23 2uww s HIS 141 CO 0.28 -0.76 1.71 0.28 -2.00 0.00 0.00 174.74 174.25 2uww n VAL 142 N -0.16 0.13 0.17 -5.38 0.31 -1.26 -4.91 118.33 107.23 2uww n VAL 142 Ca -0.17 -0.03 0.02 0.00 -0.01 0.00 0.00 64.34 64.15 2uww n VAL 142 Cb 0.64 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.55 2uww n VAL 142 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2uww n SER 143 N 3.75 0.38 -3.62 4.52 3.41 -1.26 -5.06 113.62 115.74 2uww n SER 143 Ca 0.15 -0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 2uww n SER 143 Cb 0.35 0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 65.08 2uww n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uww s ALA 144 N -1.17 -2.05 0.00 7.33 0.00 -1.26 -5.16 121.76 119.46 2uww s ALA 144 Ca 0.02 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2uww s ALA 144 Cb 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2uww s ALA 144 CO 0.13 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2uww n GLY 145 N 0.61 -0.76 3.68 0.00 0.00 -1.26 -4.88 105.19 102.59 2uww n GLY 145 Ca -0.04 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2uww n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uww s LYS 146 N -1.71 4.24 -0.26 1.61 2.47 -1.26 -4.95 119.74 119.88 2uww s LYS 146 Ca 0.00 2.11 -0.29 0.00 -1.56 0.00 0.00 55.97 56.23 2uww s LYS 146 Cb 0.00 -3.64 -0.01 0.00 -1.46 0.00 0.00 37.83 32.72 2uww s LYS 146 CO 0.00 -0.67 1.38 1.21 0.16 0.00 0.00 175.35 177.43 2uww s ASN 147 N 2.25 6.63 0.15 1.43 3.84 -1.26 -4.90 114.94 123.09 2uww s ASN 147 Ca 0.68 1.38 0.24 0.00 0.21 0.00 0.00 52.86 55.37 2uww s ASN 147 Cb -0.34 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.74 2uww s ASN 147 CO 0.29 -1.09 1.74 -0.81 -2.79 0.00 0.00 177.10 174.44 2uww n PRO 148 N 7.32 0.16 -1.97 0.43 -0.04 -1.26 -4.84 135.00 134.80 2uww n PRO 148 Ca 0.16 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 2uww n PRO 148 Cb 0.46 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 2uww n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2uww s ILE 149 N -3.13 3.24 0.00 0.52 1.01 -1.26 -1.60 121.20 119.97 2uww s ILE 149 Ca 0.09 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2uww s ILE 149 Cb 0.12 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2uww s ILE 149 CO 0.48 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2uww n GLY 150 N 4.01 1.79 3.78 6.18 0.00 0.24 -5.00 105.19 116.18 2uww n GLY 150 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2uww n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uww s LEU 151 N 0.00 4.17 0.57 0.99 1.43 -0.63 -4.68 118.68 120.53 2uww s LEU 151 Ca 0.00 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 2uww s LEU 151 Cb 0.00 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 2uww s LEU 151 CO 0.00 -0.51 1.13 -2.16 0.23 0.00 0.00 176.35 175.04 2uww s PRO 152 N -2.41 3.21 -0.18 1.29 0.04 -1.26 -1.15 135.00 134.54 2uww s PRO 152 Ca 0.57 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 2uww s PRO 152 Cb -0.24 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2uww s PRO 152 CO 0.30 -0.95 -0.09 0.08 0.04 0.00 0.00 177.00 176.38 2uww s VAL 153 N -1.92 3.14 -0.07 -0.36 1.01 0.12 -1.21 120.40 121.11 2uww s VAL 153 Ca 0.71 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2uww s VAL 153 Cb -0.23 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2uww s VAL 153 CO 0.31 0.47 -0.07 -0.60 0.00 0.00 0.00 175.10 175.21 2uww s ARG 154 N 1.03 2.81 0.61 2.72 3.52 0.02 -0.24 118.95 129.41 2uww s ARG 154 Ca -0.00 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2uww s ARG 154 Cb -0.15 -2.61 0.11 0.00 -1.56 0.00 0.00 34.95 30.74 2uww s ARG 154 CO -0.01 0.63 0.84 0.41 -0.81 0.00 0.00 175.30 176.36 2uww n GLY 155 N 2.32 1.70 0.03 8.12 0.00 -0.55 -0.70 105.19 116.10 2uww n GLY 155 Ca -0.18 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 43.75 2uww n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uww n ASP 157 N -1.66 0.63 -1.46 0.00 5.75 -1.24 -4.57 116.55 114.00 2uww n ASP 157 Ca 0.04 -1.63 -0.18 0.00 -0.01 0.00 0.00 54.79 53.01 2uww n ASP 157 Cb 0.23 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 2uww n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uww n LEU 158 N -0.32 -1.37 -4.78 -2.12 4.77 0.54 -5.00 117.00 108.72 2uww n LEU 158 Ca 0.12 0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 2uww n LEU 158 Cb 0.15 -2.51 -0.06 0.00 -2.33 0.00 0.00 43.42 38.67 2uww n LEU 158 CO 0.09 -0.81 -0.25 -1.61 -1.33 0.00 0.00 177.39 173.48 2uww s GLU 159 N -3.71 2.90 -0.04 3.23 0.41 -1.26 -4.88 118.70 115.35 2uww s GLU 159 Ca 0.00 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 2uww s GLU 159 Cb 0.00 -2.72 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 2uww s GLU 159 CO 0.00 0.55 1.06 0.42 -0.49 0.00 0.00 175.26 176.81 2uww s ILE 160 N -1.46 4.60 -0.03 -1.63 -1.09 -1.26 -1.49 121.20 118.85 2uww s ILE 160 Ca 0.30 1.88 0.20 0.00 -2.23 0.00 0.00 60.65 60.80 2uww s ILE 160 Cb -0.12 -4.21 -0.31 0.00 -1.58 0.00 0.00 42.46 36.25 2uww s ILE 160 CO 0.22 0.06 0.44 0.00 -1.23 0.00 0.00 174.94 174.44 2uww n ALA 161 N 4.57 2.74 0.00 9.38 0.00 0.67 -4.95 120.51 132.92 2uww n ALA 161 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2uww n ALA 161 Cb 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2uww n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uww n GLY 162 N 1.37 -0.60 3.11 0.00 0.00 -1.19 -4.24 105.19 103.63 2uww n GLY 162 Ca -0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 2uww n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uww s LYS 163 N -0.64 0.49 0.01 1.61 -2.85 -0.86 0.12 119.74 117.62 2uww s LYS 163 Ca 0.00 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 2uww s LYS 163 Cb 0.00 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2uww s LYS 163 CO 0.00 -0.12 1.01 0.08 0.10 0.00 0.00 175.35 176.42 2uww s VAL 164 N -1.40 4.74 -0.14 1.79 1.01 -0.30 -0.78 120.40 125.32 2uww s VAL 164 Ca -0.15 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2uww s VAL 164 Cb -0.08 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2uww s VAL 164 CO 0.02 0.15 0.15 1.33 0.00 0.00 0.00 175.10 176.75 2uww n VAL 165 N 3.92 0.00 -3.76 2.92 0.24 0.59 -0.59 118.33 121.65 2uww n VAL 165 Ca 0.06 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 62.03 2uww n VAL 165 Cb 0.50 0.82 -0.00 0.00 -1.47 0.00 0.00 33.84 33.69 2uww n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2uww s ASP 166 N -1.72 -0.11 -0.07 -1.34 -1.08 -1.19 -4.92 116.67 106.25 2uww s ASP 166 Ca 0.01 -0.41 0.04 0.00 -0.52 0.00 0.00 52.55 51.67 2uww s ASP 166 Cb 0.03 0.42 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2uww s ASP 166 CO 0.18 -0.79 -0.19 -0.63 0.52 0.00 0.00 175.17 174.25 2uww s ILE 167 N -2.85 2.55 -0.17 4.11 1.01 -1.26 -0.91 121.20 123.68 2uww s ILE 167 Ca 0.15 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 2uww s ILE 167 Cb -0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2uww s ILE 167 CO 0.02 0.57 0.33 0.26 0.00 0.00 0.00 174.94 176.11 2uww s TRP 168 N -0.21 3.45 0.05 3.97 0.52 0.58 -0.02 118.94 127.29 2uww s TRP 168 Ca -0.01 0.62 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2uww s TRP 168 Cb -0.13 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2uww s TRP 168 CO 0.03 0.18 -0.20 0.14 0.02 0.00 0.00 176.95 177.12 2uww s VAL 169 N 0.65 2.66 -0.29 4.03 -7.23 0.13 -0.33 120.40 120.01 2uww s VAL 169 Ca 0.18 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 2uww s VAL 169 Cb -0.13 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.70 2uww s VAL 169 CO 0.05 0.30 0.95 -0.62 -0.31 0.00 0.00 175.10 175.48 2uww s ASP 170 N -1.51 6.86 -0.05 4.85 -1.08 0.21 -1.37 116.67 124.57 2uww s ASP 170 Ca 0.14 0.97 -0.18 0.00 -0.52 0.00 0.00 52.55 52.96 2uww s ASP 170 Cb -0.10 -2.49 -0.13 0.00 -1.46 0.00 0.00 42.92 38.74 2uww s ASP 170 CO 0.05 -0.73 0.75 0.40 0.52 0.00 0.00 175.17 176.17 2uww h ILE 171 N 5.62 0.62 0.00 4.11 5.03 -1.18 0.36 117.51 132.07 2uww h ILE 171 Ca -0.22 -1.03 -0.01 0.00 -0.12 0.00 0.00 64.86 63.48 2uww h ILE 171 Cb 1.07 1.05 -0.00 0.00 -3.03 0.00 0.00 36.82 35.91 2uww h ILE 171 CO 0.96 0.16 -0.05 1.55 -0.68 0.00 0.00 178.15 180.09 2uww h PRO 172 N -0.94 0.00 -0.02 2.37 0.13 -1.94 -2.82 132.00 128.78 2uww h PRO 172 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2uww h PRO 172 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2uww h PRO 172 CO 0.05 0.05 -0.32 0.39 -0.23 0.00 0.00 178.00 177.94 2uww n GLU 173 N -4.34 1.53 -3.62 0.86 1.02 -1.23 -5.00 120.64 109.86 2uww n GLU 173 Ca -0.03 -1.11 -0.29 0.00 -0.02 0.00 0.00 57.16 55.72 2uww n GLU 173 Cb 0.14 -1.39 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 2uww n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2uww n GLN 174 N 0.21 -1.34 -3.91 3.49 6.02 0.10 -5.00 117.38 116.95 2uww n GLN 174 Ca 0.09 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.51 2uww n GLN 174 Cb 0.44 -4.32 -0.10 0.00 1.02 0.00 0.00 30.24 27.28 2uww n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uww s MET 175 N -5.70 0.49 -0.01 -1.09 0.23 -1.08 -4.98 119.30 107.16 2uww s MET 175 Ca 0.46 -0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 54.25 2uww s MET 175 Cb -0.15 0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 33.29 2uww s MET 175 CO 0.85 -0.11 1.30 0.00 -2.03 0.00 0.00 175.02 175.02 2uww s ALA 176 N -1.82 3.53 -0.12 3.16 0.00 -1.26 -0.62 121.76 124.62 2uww s ALA 176 Ca -0.12 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 2uww s ALA 176 Cb -0.06 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 2uww s ALA 176 CO -0.01 -0.78 -0.12 0.54 0.00 0.00 0.00 175.76 175.39 2uww n ARG 177 N 5.06 0.30 -4.11 0.00 5.12 0.55 -4.83 116.66 118.75 2uww n ARG 177 Ca 0.12 0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 2uww n ARG 177 Cb 0.45 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.45 2uww n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2uww s PHE 178 N -2.24 0.70 -0.17 -1.55 0.40 -0.90 -1.24 117.98 112.98 2uww s PHE 178 Ca -0.17 -0.83 -0.09 0.00 -0.60 0.00 0.00 56.93 55.24 2uww s PHE 178 Cb 0.05 -0.43 -0.05 0.00 0.51 0.00 0.00 43.02 43.10 2uww s PHE 178 CO 0.27 -0.19 0.15 -0.51 0.70 0.00 0.00 175.22 175.63 2uww s LEU 179 N -2.56 4.27 -0.18 -0.37 1.43 0.20 -0.31 118.68 121.16 2uww s LEU 179 Ca 0.04 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 2uww s LEU 179 Cb 0.01 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2uww s LEU 179 CO -0.05 0.25 0.58 -0.70 0.23 0.00 0.00 176.35 176.66 2uww s GLU 180 N -0.09 4.24 -0.15 1.70 2.12 -0.09 -0.70 118.70 125.74 2uww s GLU 180 Ca 0.11 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.00 2uww s GLU 180 Cb -0.11 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2uww s GLU 180 CO 0.00 -0.14 -0.20 0.08 -0.54 0.00 0.00 175.26 174.46 2uww s VAL 181 N 1.57 1.98 -0.06 3.70 1.01 0.40 -0.30 120.40 128.70 2uww s VAL 181 Ca 0.27 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2uww s VAL 181 Cb -0.16 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2uww s VAL 181 CO 0.11 0.53 0.69 -0.70 0.00 0.00 0.00 175.10 175.73 2uww s GLU 182 N 0.98 4.43 0.69 2.72 2.12 0.04 -0.37 118.70 129.32 2uww s GLU 182 Ca -0.03 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.16 2uww s GLU 182 Cb -0.15 -3.44 0.11 0.00 0.26 0.00 0.00 34.13 30.91 2uww s GLU 182 CO -0.05 0.08 0.96 -0.51 -0.54 0.00 0.00 175.26 175.19 2uww s LEU 183 N 0.75 3.02 0.48 2.70 1.43 0.56 -2.03 118.68 125.59 2uww s LEU 183 Ca 0.37 -0.28 0.17 0.00 -1.03 0.00 0.00 54.13 53.36 2uww s LEU 183 Cb -0.18 -2.17 1.17 0.00 0.03 0.00 0.00 46.19 45.05 2uww s LEU 183 CO 0.18 -1.73 2.02 0.50 0.23 0.00 0.00 176.35 177.55 2uww h LYS 184 N -0.42 0.22 -0.10 1.70 3.64 -1.87 -1.04 116.57 118.69 2uww h LYS 184 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2uww h LYS 184 Cb 1.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2uww h LYS 184 CO 0.43 0.14 0.00 -0.40 -2.27 0.00 0.00 179.45 177.35 2uww n ASP 185 N -4.46 1.01 0.00 4.20 5.75 -1.26 -4.90 116.55 116.89 2uww n ASP 185 Ca 0.07 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2uww n ASP 185 Cb 0.37 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2uww n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uww n GLY 186 N 1.00 1.89 3.85 6.12 0.00 -0.39 -5.04 105.19 112.62 2uww n GLY 186 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2uww n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uww s SER 187 N -2.59 5.25 0.31 1.61 1.04 -1.26 -4.75 113.70 113.31 2uww s SER 187 Ca 0.00 1.25 0.10 0.00 0.48 0.00 0.00 55.95 57.78 2uww s SER 187 Cb 0.00 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 2uww s SER 187 CO 0.00 -1.48 -0.08 0.42 0.98 0.00 0.00 173.24 173.08 2uww s THR 188 N -3.26 2.64 0.12 2.02 -4.23 -1.26 -0.32 115.64 111.34 2uww s THR 188 Ca 0.59 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 2uww s THR 188 Cb -0.12 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2uww s THR 188 CO 0.53 -0.30 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.09 2uww s ARG 189 N -3.62 0.93 -0.06 3.99 1.81 0.50 -4.87 118.95 117.63 2uww s ARG 189 Ca 0.32 -1.32 -0.09 0.00 -1.72 0.00 0.00 55.73 52.92 2uww s ARG 189 Cb -0.02 -0.48 -0.05 0.00 -0.45 0.00 0.00 34.95 33.95 2uww s ARG 189 CO 0.17 0.05 0.24 -0.51 -0.68 0.00 0.00 175.30 174.58 2uww s LEU 190 N -2.88 4.41 -0.11 2.53 1.43 -1.26 -0.45 118.68 122.35 2uww s LEU 190 Ca 0.12 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2uww s LEU 190 Cb 0.01 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2uww s LEU 190 CO -0.01 0.36 -0.16 -0.76 0.23 0.00 0.00 176.35 176.01 2uww s LEU 191 N -1.16 1.78 0.25 1.79 2.01 0.13 -4.97 118.68 118.51 2uww s LEU 191 Ca 0.20 -0.45 -0.31 0.00 0.01 0.00 0.00 54.13 53.58 2uww s LEU 191 Cb -0.14 -1.14 -0.13 0.00 0.01 0.00 0.00 46.19 44.80 2uww s LEU 191 CO 0.09 0.03 1.51 -2.65 1.01 0.00 0.00 176.35 176.35 2uww n PRO 192 N 4.13 2.34 -0.08 1.29 -0.02 -1.26 -0.63 135.00 140.77 2uww n PRO 192 Ca -0.19 0.84 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 2uww n PRO 192 Cb 0.51 -2.56 0.41 0.00 -0.02 0.00 0.00 33.50 31.84 2uww n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2uww h MET 193 N 4.76 0.59 0.00 -0.52 4.05 -1.49 -1.12 114.93 121.19 2uww h MET 193 Ca -0.46 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2uww h MET 193 Cb 1.25 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2uww h MET 193 CO 0.80 0.39 0.00 1.04 0.23 0.00 0.00 176.91 179.37 2uww n GLN 194 N -4.47 0.35 -0.02 0.39 3.00 -1.26 -2.76 117.38 112.61 2uww n GLN 194 Ca 0.07 0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.16 2uww n GLN 194 Cb 0.17 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.94 2uww n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2uww n MET 195 N -1.16 2.65 -4.35 -1.09 2.81 -0.43 -5.01 117.12 110.54 2uww n MET 195 Ca 0.10 -1.73 -0.24 0.00 -1.81 0.00 0.00 57.70 54.02 2uww n MET 195 Cb 0.10 -1.11 -0.12 0.00 -0.71 0.00 0.00 33.22 31.38 2uww n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2uww s VAL 196 N -1.38 1.98 -0.26 2.03 -7.23 -1.11 -4.47 120.40 109.95 2uww s VAL 196 Ca 0.07 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2uww s VAL 196 Cb 0.06 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 35.16 2uww s VAL 196 CO 0.01 -0.19 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.78 2uww s LYS 197 N -2.56 2.50 -0.38 4.82 2.20 0.33 -4.96 119.74 121.69 2uww s LYS 197 Ca 0.15 -1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 2uww s LYS 197 Cb -0.07 -2.96 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2uww s LYS 197 CO 0.07 -0.51 1.11 0.08 -0.36 0.00 0.00 175.35 175.74 2uww s VAL 198 N 1.21 4.37 0.55 4.02 1.01 -1.26 0.11 120.40 130.40 2uww s VAL 198 Ca -0.05 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2uww s VAL 198 Cb -0.18 -4.48 0.04 0.00 0.00 0.00 0.00 36.38 31.75 2uww s VAL 198 CO -0.05 -0.69 0.37 -1.10 0.00 0.00 0.00 175.10 173.64 2uww s GLN 199 N 3.99 2.25 0.30 2.72 -0.21 0.75 -5.00 119.66 124.47 2uww s GLN 199 Ca 0.47 -2.07 0.01 0.00 0.02 0.00 0.00 55.36 53.79 2uww s GLN 199 Cb -0.10 -2.04 0.48 0.00 1.00 0.00 0.00 33.01 32.34 2uww s GLN 199 CO 0.22 -0.61 1.84 0.66 -2.12 0.00 0.00 175.29 175.28 2uww h SER 200 N 0.79 0.66 -0.03 5.90 4.64 -2.01 -3.26 113.55 120.24 2uww h SER 200 Ca -0.37 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2uww h SER 200 Cb 1.31 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2uww h SER 200 CO 0.59 0.68 0.00 -0.46 -0.87 0.00 0.00 176.83 176.77 2uww n ASN 201 N -4.27 1.50 -3.63 4.97 6.94 -1.26 -5.07 115.26 114.44 2uww n ASN 201 Ca 0.03 -1.31 -0.06 0.00 -0.02 0.00 0.00 54.58 53.22 2uww n ASN 201 Cb 0.24 -0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 37.63 2uww n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2uww s ARG 202 N -0.44 0.98 -0.19 -3.83 1.70 -1.23 -4.44 118.95 111.49 2uww s ARG 202 Ca 0.05 -0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 54.80 2uww s ARG 202 Cb 0.03 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 2uww s ARG 202 CO 0.05 -0.44 -0.02 0.08 -1.08 0.00 0.00 175.30 173.88 2uww s VAL 203 N -3.17 3.74 -0.17 4.99 1.01 -0.35 -0.17 120.40 126.28 2uww s VAL 203 Ca 0.09 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2uww s VAL 203 Cb -0.01 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2uww s VAL 203 CO -0.03 0.44 0.08 -2.28 0.00 0.00 0.00 175.10 173.31 2uww s HIS 204 N 0.99 3.32 -0.35 5.22 2.46 0.12 -0.80 115.29 126.24 2uww s HIS 204 Ca 0.01 0.19 0.03 0.00 0.47 0.00 0.00 55.06 55.76 2uww s HIS 204 Cb -0.14 -2.05 0.10 0.00 -0.13 0.00 0.00 32.58 30.35 2uww s HIS 204 CO 0.01 0.28 0.08 0.08 -2.47 0.00 0.00 174.74 172.72 2uww s VAL 205 N 0.08 2.45 0.26 0.89 1.01 0.12 -0.51 120.40 124.70 2uww s VAL 205 Ca 0.06 -2.30 0.17 0.00 0.00 0.00 0.00 61.98 59.92 2uww s VAL 205 Cb -0.12 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.59 2uww s VAL 205 CO 0.00 -0.61 1.77 -1.13 0.00 0.00 0.00 175.10 175.13 2uww h ASN 206 N 7.69 0.00 0.41 3.32 -1.24 -1.85 -2.82 115.58 121.09 2uww h ASN 206 Ca -0.06 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.87 2uww h ASN 206 Cb 1.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 2uww h ASN 206 CO 0.55 0.39 -0.38 0.00 -1.29 0.00 0.00 177.43 176.70 2uww h ALA 207 N 1.61 1.34 -4.13 1.57 0.00 -1.87 -3.41 119.26 114.37 2uww h ALA 207 Ca -0.00 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 2uww h ALA 207 Cb 0.82 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.25 2uww h ALA 207 CO 0.05 0.47 -0.83 -0.51 0.00 0.00 0.00 179.25 178.43 2uww s LEU 208 N -8.06 1.98 0.55 0.00 1.43 -1.23 -3.27 118.68 110.07 2uww s LEU 208 Ca -0.03 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2uww s LEU 208 Cb 0.14 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2uww s LEU 208 CO 0.72 0.18 0.95 -0.94 0.23 0.00 0.00 176.35 177.50 2uww s SER 209 N -0.21 6.38 0.43 2.29 1.04 -1.26 -0.28 113.70 122.10 2uww s SER 209 Ca 0.02 1.36 0.12 0.00 0.48 0.00 0.00 55.95 57.93 2uww s SER 209 Cb -0.09 -2.43 1.00 0.00 0.10 0.00 0.00 66.02 64.60 2uww s SER 209 CO 0.00 -0.70 2.01 0.77 0.98 0.00 0.00 173.24 176.31 2uww h SER 210 N 0.28 0.37 0.51 7.02 4.64 -1.88 -0.82 113.55 123.68 2uww h SER 210 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2uww h SER 210 Cb 1.19 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2uww h SER 210 CO 0.62 0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 175.92 2uww n ASP 211 N -4.47 0.00 -0.21 4.97 5.75 -1.26 -2.69 116.55 118.64 2uww n ASP 211 Ca 0.07 0.48 0.11 0.00 -0.01 0.00 0.00 54.79 55.45 2uww n ASP 211 Cb 0.27 -0.49 0.07 0.00 -1.03 0.00 0.00 41.12 39.93 2uww n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uww n LEU 212 N -1.49 1.27 -0.15 -2.12 4.77 -0.31 -4.40 117.00 114.57 2uww n LEU 212 Ca 0.04 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 2uww n LEU 212 Cb 0.18 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 2uww n LEU 212 CO 0.14 0.26 0.87 -0.26 -1.33 0.00 0.00 177.39 177.08 2uww h PHE 213 N 1.03 0.96 -0.56 -1.77 -1.00 -1.61 -2.50 116.94 111.48 2uww h PHE 213 Ca 0.00 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.66 2uww h PHE 213 Cb 0.59 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 2uww h PHE 213 CO 0.00 0.86 0.37 0.00 -1.61 0.00 0.00 178.31 177.93 2uww h ALA 214 N 1.18 1.66 0.00 2.45 0.00 -1.80 -2.27 119.26 120.49 2uww h ALA 214 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2uww h ALA 214 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2uww h ALA 214 CO 0.02 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2uww n GLY 215 N -1.46 -1.47 3.65 0.00 0.00 -0.95 -4.82 105.19 100.15 2uww n GLY 215 Ca 0.06 -0.06 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 2uww n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uww n ILE 216 N -1.77 0.18 -1.56 -0.61 5.41 -0.86 -4.87 119.36 115.28 2uww n ILE 216 Ca 0.06 -0.03 -0.47 0.00 1.00 0.00 0.00 62.75 63.30 2uww n ILE 216 Cb 0.33 -1.26 -0.03 0.00 -0.71 0.00 0.00 39.64 37.97 2uww n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2uww n PRO 217 N 4.15 1.08 -3.23 0.38 -0.02 -1.26 -4.97 135.00 131.13 2uww n PRO 217 Ca 0.21 0.38 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 2uww n PRO 217 Cb 0.21 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2uww n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2uww s THR 218 N -0.61 4.34 0.11 3.45 -4.23 -1.26 -4.75 115.64 112.69 2uww s THR 218 Ca 0.67 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2uww s THR 218 Cb -0.81 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 69.42 2uww s THR 218 CO 0.56 -0.35 0.25 0.27 -0.54 0.00 0.00 174.62 174.81 2uww s ILE 219 N -2.39 5.31 0.06 2.99 -4.36 -1.26 -5.01 121.20 116.54 2uww s ILE 219 Ca 0.45 -0.59 -0.10 0.00 -0.26 0.00 0.00 60.65 60.15 2uww s ILE 219 Cb -0.10 -3.67 -0.30 0.00 1.25 0.00 0.00 42.46 39.64 2uww s ILE 219 CO 0.36 -0.00 1.11 0.07 0.24 0.00 0.00 174.94 176.72 2uww h LYS 220 N 2.53 0.46 -5.96 0.37 2.10 -1.99 -3.44 116.57 110.63 2uww h LYS 220 Ca -0.47 -0.69 -0.68 0.00 -2.00 0.00 0.00 60.65 56.80 2uww h LYS 220 Cb 1.18 0.24 -0.27 0.00 -0.90 0.00 0.00 32.23 32.48 2uww h LYS 220 CO 0.71 1.31 -0.82 -1.12 -2.00 0.00 0.00 179.45 177.54 2uww s SER 221 N -7.34 3.63 0.12 7.07 0.01 -1.26 -5.03 113.70 110.89 2uww s SER 221 Ca -0.07 -0.36 0.20 0.00 1.31 0.00 0.00 55.95 57.04 2uww s SER 221 Cb 0.06 -1.02 0.84 0.00 0.21 0.00 0.00 66.02 66.11 2uww s SER 221 CO 0.91 0.26 1.63 -0.81 0.41 0.00 0.00 173.24 175.65 2uww n PRO 222 N 2.86 0.10 -0.06 12.44 -0.04 -1.26 -3.15 135.00 145.89 2uww n PRO 222 Ca -0.17 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2uww n PRO 222 Cb 0.52 -1.67 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2uww n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2uww n THR 223 N -1.86 0.89 -3.90 0.52 -2.24 -1.26 -4.93 114.28 101.50 2uww n THR 223 Ca 0.03 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.77 2uww n THR 223 Cb 0.23 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 2uww n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2uww s GLU 224 N -0.93 1.06 -0.02 -0.78 -1.05 -1.19 -4.49 118.70 111.30 2uww s GLU 224 Ca 0.08 -1.06 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 2uww s GLU 224 Cb 0.04 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 2uww s GLU 224 CO 0.06 -0.38 -0.02 0.54 0.95 0.00 0.00 175.26 176.41 2uww s VAL 225 N -3.92 0.25 0.48 1.83 0.11 -1.26 -4.48 120.40 113.42 2uww s VAL 225 Ca 0.12 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2uww s VAL 225 Cb 0.04 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2uww s VAL 225 CO -0.04 0.13 0.73 0.42 -3.33 0.00 0.00 175.10 173.01 2uww s THR 226 N 0.57 4.22 0.30 5.04 -4.23 -1.26 -4.19 115.64 116.09 2uww s THR 226 Ca -0.06 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2uww s THR 226 Cb -0.09 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 70.38 2uww s THR 226 CO -0.01 -0.49 1.92 -0.07 -0.54 0.00 0.00 174.62 175.43 2uww h LEU 227 N 0.27 0.84 -0.35 4.79 3.38 -0.87 -0.13 115.31 123.24 2uww h LEU 227 Ca -0.47 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2uww h LEU 227 Cb 1.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2uww h LEU 227 CO 0.59 0.69 0.18 0.25 0.09 0.00 0.00 178.44 180.25 2uww h LEU 228 N 0.95 0.28 -0.54 1.67 5.85 -1.54 -2.21 115.31 119.76 2uww h LEU 228 Ca 0.24 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 2uww h LEU 228 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2uww h LEU 228 CO -0.04 0.20 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.87 2uww h GLU 229 N 0.38 1.00 -0.83 1.25 5.08 -1.71 -2.11 114.58 117.64 2uww h GLU 229 Ca 0.15 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2uww h GLU 229 Cb 0.04 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2uww h GLU 229 CO -0.09 1.03 0.50 0.93 -1.00 0.00 0.00 179.01 180.38 2uww h GLU 230 N 0.88 0.88 -0.56 2.33 5.08 -0.95 -0.21 114.58 122.03 2uww h GLU 230 Ca 0.15 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2uww h GLU 230 Cb 0.62 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2uww h GLU 230 CO 0.04 0.58 0.00 -0.44 -1.00 0.00 0.00 179.01 178.20 2uww h ASP 231 N 0.91 0.97 -0.41 1.42 5.19 -1.13 0.93 116.42 124.31 2uww h ASP 231 Ca 0.37 -0.31 -0.13 0.00 -0.62 0.00 0.00 57.03 56.34 2uww h ASP 231 Cb 0.19 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 2uww h ASP 231 CO -0.18 1.04 -0.23 0.11 -3.12 0.00 0.00 179.24 176.86 2uww h LYS 232 N 0.88 0.88 0.29 3.56 1.57 -1.09 -0.47 116.57 122.20 2uww h LYS 232 Ca 0.16 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2uww h LYS 232 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2uww h LYS 232 CO 0.03 1.05 -0.14 0.82 -0.57 0.00 0.00 179.45 180.64 2uww h ILE 233 N 0.70 0.75 -0.71 1.86 2.04 -0.89 -1.81 117.51 119.44 2uww h ILE 233 Ca 0.09 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 2uww h ILE 233 Cb 0.81 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2uww h ILE 233 CO 0.07 0.07 0.16 0.00 0.00 0.00 0.00 178.15 178.45 2uww h GLY 235 N 1.08 0.60 0.91 0.00 0.00 -1.14 -1.30 103.07 103.24 2uww h GLY 235 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2uww h GLY 235 CO 0.01 0.25 0.09 -1.82 0.00 0.00 0.00 176.54 175.07 2uww h TYR 236 N 0.54 0.29 -0.21 5.60 3.20 -1.02 -0.49 116.97 124.88 2uww h TYR 236 Ca 0.15 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2uww h TYR 236 Cb 0.01 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2uww h TYR 236 CO -0.03 0.31 0.11 0.28 -1.64 0.00 0.00 178.16 177.18 2uww h VAL 237 N 0.19 1.13 -0.32 1.81 2.07 -1.25 -2.60 116.25 117.29 2uww h VAL 237 Ca 0.07 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2uww h VAL 237 Cb 0.13 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2uww h VAL 237 CO -0.01 0.13 0.08 0.00 0.02 0.00 0.00 177.57 177.79 2uww h ALA 238 N 0.97 1.54 0.00 1.67 0.00 -1.17 -2.17 119.26 120.11 2uww h ALA 238 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2uww h ALA 238 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2uww h ALA 238 CO -0.01 0.35 -0.03 0.78 0.00 0.00 0.00 179.25 180.34 2uww h GLY 239 N 0.69 0.00 2.00 0.00 0.00 -0.70 -2.07 103.07 102.99 2uww h GLY 239 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2uww h GLY 239 CO -0.00 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.17 2uww h GLY 240 N 0.12 0.00 0.30 4.60 0.00 -1.17 -0.14 103.07 106.77 2uww h GLY 240 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2uww h GLY 240 CO 0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 2uww h LEU 241 N 0.00 -0.19 0.01 3.11 3.38 -1.35 0.33 115.31 120.59 2uww h LEU 241 Ca -0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2uww h LEU 241 Cb 0.07 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2uww h LEU 241 CO 0.00 -0.06 -0.00 -0.03 0.09 0.00 0.00 178.44 178.44 2uww h MET 242 N 0.10 -0.01 0.00 1.13 4.05 -1.65 -3.34 114.93 115.21 2uww h MET 242 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2uww h MET 242 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2uww h MET 242 CO -0.36 0.84 -0.30 1.88 0.23 0.00 0.00 176.91 179.21 2uww h TYR 243 N -0.92 0.00 -0.53 1.39 0.05 -0.89 -2.86 116.97 113.20 2uww h TYR 243 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2uww h TYR 243 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2uww h TYR 243 CO 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.34 2uww n ALA 244 N -2.00 2.41 -0.35 3.88 0.00 0.11 -4.59 120.51 119.98 2uww n ALA 244 Ca 0.03 -1.04 0.10 0.00 0.00 0.00 0.00 53.44 52.53 2uww n ALA 244 Cb 0.50 -0.94 0.27 0.00 0.00 0.00 0.00 19.45 19.28 2uww n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uww h ALA 245 N 4.27 1.57 -0.91 0.00 0.00 -1.59 -0.32 119.26 122.27 2uww h ALA 245 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2uww h ALA 245 Cb 0.87 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2uww h ALA 245 CO 0.00 0.09 0.59 -1.35 0.00 0.00 0.00 179.25 178.57 2uww h PRO 246 N 0.87 0.62 -0.61 0.00 0.11 -1.83 -2.33 132.00 128.83 2uww h PRO 246 Ca 0.53 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2uww h PRO 246 Cb 0.68 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2uww h PRO 246 CO -0.32 0.41 0.00 1.63 -0.21 0.00 0.00 178.00 179.51 2uww n LYS 247 N -4.58 2.72 -4.42 1.05 5.02 -0.14 -4.79 118.16 113.02 2uww n LYS 247 Ca 0.19 -1.73 -0.21 0.00 -2.02 0.00 0.00 58.31 54.53 2uww n LYS 247 Cb 0.54 -1.68 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 2uww n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2uww s ARG 248 N -1.76 1.09 0.00 1.97 3.52 -0.88 -3.70 118.95 119.21 2uww s ARG 248 Ca 0.31 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2uww s ARG 248 Cb 0.20 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 2uww s ARG 248 CO 0.14 0.09 0.00 1.17 -0.81 0.00 0.00 175.30 175.90 2uww n LYS 249 N 3.42 0.00 -2.06 5.12 3.00 -1.26 -4.85 118.16 121.53 2uww n LYS 249 Ca -0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.72 2uww n LYS 249 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.56 2uww n LYS 249 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2uww s SER 250 N 0.00 6.35 0.00 3.14 1.04 -1.26 -5.00 113.70 117.97 2uww s SER 250 Ca 0.00 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.09 2uww s SER 250 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2uww s SER 250 CO 0.00 -0.83 0.00 0.52 0.98 0.00 0.00 173.24 173.91