#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bxx s THR 7 N 0.00 3.04 0.09 3.84 2.01 -1.26 -2.78 115.64 120.58 3bxx s THR 7 Ca 0.00 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.38 3bxx s THR 7 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 3bxx s THR 7 CO 0.00 0.53 -0.12 0.68 -0.69 0.00 0.00 174.62 175.01 3bxx s VAL 8 N 0.33 1.05 -0.01 3.82 -7.23 -0.97 -0.99 120.40 116.40 3bxx s VAL 8 Ca -0.11 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 3bxx s VAL 8 Cb -0.16 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3bxx s VAL 8 CO 0.06 -0.40 0.14 0.00 -0.31 0.00 0.00 175.10 174.58 3bxx s VAL 10 N -1.25 -0.26 0.48 0.00 1.01 -0.83 0.28 120.40 119.82 3bxx s VAL 10 Ca 0.25 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 3bxx s VAL 10 Cb -0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 3bxx s VAL 10 CO 0.16 -0.64 1.06 0.42 0.00 0.00 0.00 175.10 176.09 3bxx s THR 11 N 1.47 3.66 -1.45 3.92 -4.23 -0.85 -2.71 115.64 115.45 3bxx s THR 11 Ca 0.16 1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 61.67 3bxx s THR 11 Cb -0.16 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.25 3bxx s THR 11 CO -0.06 -0.17 0.71 0.61 -0.54 0.00 0.00 174.62 175.17 3bxx n GLY 12 N -0.05 -0.51 0.44 3.99 0.00 -0.74 -2.74 105.19 105.59 3bxx n GLY 12 Ca 0.09 0.15 0.24 0.00 0.00 0.00 0.00 46.02 46.49 3bxx n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx h ALA 13 N 0.99 2.45 0.00 4.61 0.00 -1.47 -1.69 119.26 124.14 3bxx h ALA 13 Ca -0.51 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3bxx h ALA 13 Cb 1.34 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3bxx h ALA 13 CO 0.58 -1.06 -0.28 0.66 0.00 0.00 0.00 179.25 179.15 3bxx h SER 14 N 0.00 0.00 -2.50 0.00 4.64 -1.83 -0.76 113.55 113.10 3bxx h SER 14 Ca 0.31 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.38 3bxx h SER 14 Cb 1.75 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.97 3bxx h SER 14 CO -0.00 0.28 -0.03 0.61 -0.87 0.00 0.00 176.83 176.82 3bxx n GLY 15 N -0.65 -3.32 0.18 -0.77 0.00 -0.64 -4.63 105.19 95.36 3bxx n GLY 15 Ca -0.02 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 3bxx n GLY 15 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bxx h PHE 16 N -2.74 -0.27 0.00 1.61 3.57 -1.89 -2.00 116.94 115.21 3bxx h PHE 16 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3bxx h PHE 16 Cb 0.87 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3bxx h PHE 16 CO 0.00 -0.19 -0.07 0.82 -2.23 0.00 0.00 178.31 176.64 3bxx h ILE 17 N -0.05 0.00 -0.81 1.41 2.04 -1.92 -3.29 117.51 114.89 3bxx h ILE 17 Ca 0.16 -0.51 0.28 0.00 1.00 0.00 0.00 64.86 65.80 3bxx h ILE 17 Cb 0.30 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.23 3bxx h ILE 17 CO -0.37 0.00 0.22 0.61 0.00 0.00 0.00 178.15 178.62 3bxx n GLY 18 N 1.83 -0.86 0.12 5.37 0.00 -1.26 -0.98 105.19 109.43 3bxx n GLY 18 Ca -0.01 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 3bxx n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bxx h SER 19 N 0.00 -0.15 -0.97 1.61 4.64 -0.33 -1.48 113.55 116.86 3bxx h SER 19 Ca 0.59 -0.38 0.25 0.00 -0.47 0.00 0.00 61.79 61.78 3bxx h SER 19 Cb 1.41 0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 63.41 3bxx h SER 19 CO -0.69 0.44 0.54 -0.25 -0.87 0.00 0.00 176.83 175.99 3bxx h TRP 20 N -0.90 0.90 -0.78 4.77 2.91 -1.35 -1.04 115.95 120.47 3bxx h TRP 20 Ca -0.02 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 3bxx h TRP 20 Cb 0.52 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 3bxx h TRP 20 CO 0.10 0.00 0.33 1.25 -1.03 0.00 0.00 178.44 179.08 3bxx h LEU 21 N 0.50 1.06 -0.38 0.65 5.85 -0.89 -0.27 115.31 121.82 3bxx h LEU 21 Ca 0.63 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 59.08 3bxx h LEU 21 Cb 1.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3bxx h LEU 21 CO -0.51 0.93 -0.21 0.58 -0.34 0.00 0.00 178.44 178.89 3bxx h VAL 22 N 1.13 1.28 -0.32 1.05 2.07 -0.13 -1.69 116.25 119.65 3bxx h VAL 22 Ca 0.26 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3bxx h VAL 22 Cb 0.19 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3bxx h VAL 22 CO -0.02 0.45 0.01 -0.03 0.02 0.00 0.00 177.57 177.99 3bxx h MET 23 N 0.62 0.10 -0.05 1.57 1.85 -0.74 -1.67 114.93 116.62 3bxx h MET 23 Ca 0.08 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.06 3bxx h MET 23 Cb 0.77 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 3bxx h MET 23 CO 0.06 0.06 -0.44 0.00 -0.40 0.00 0.00 176.91 176.20 3bxx h ARG 24 N 0.10 0.11 0.04 0.39 2.47 -0.71 -1.17 114.38 115.61 3bxx h ARG 24 Ca 0.15 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3bxx h ARG 24 Cb 0.20 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3bxx h ARG 24 CO -0.25 0.54 -0.02 -0.07 0.56 0.00 0.00 179.97 180.73 3bxx h LEU 25 N 0.09 -0.04 0.08 3.04 3.38 -1.09 -2.78 115.31 117.99 3bxx h LEU 25 Ca 0.01 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.39 3bxx h LEU 25 Cb 0.82 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3bxx h LEU 25 CO 0.06 0.62 -0.47 -0.07 0.09 0.00 0.00 178.44 178.67 3bxx h LEU 26 N -0.75 -1.41 -1.75 1.67 3.38 -1.32 0.30 115.31 115.44 3bxx h LEU 26 Ca -0.01 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.34 3bxx h LEU 26 Cb 0.65 0.53 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3bxx h LEU 26 CO 0.01 -0.51 0.74 -0.33 0.09 0.00 0.00 178.44 178.43 3bxx h GLU 27 N -0.67 0.00 -0.69 1.13 5.08 -1.22 1.80 114.58 120.01 3bxx h GLU 27 Ca 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3bxx h GLU 27 Cb 0.71 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 3bxx h GLU 27 CO -0.29 0.00 0.14 -2.13 -1.00 0.00 0.00 179.01 175.74 3bxx n ARG 28 N -3.68 4.23 -1.53 2.33 0.63 -0.89 -4.93 116.66 112.82 3bxx n ARG 28 Ca 0.16 -3.04 -0.18 0.00 -0.92 0.00 0.00 57.85 53.86 3bxx n ARG 28 Cb 1.00 -2.23 -0.08 0.00 0.45 0.00 0.00 32.46 31.60 3bxx n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bxx n GLY 29 N 0.22 1.78 3.80 5.14 0.00 0.61 -5.02 105.19 111.72 3bxx n GLY 29 Ca 0.34 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3bxx n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bxx s TYR 30 N -2.68 2.72 -0.13 1.61 1.51 0.99 -4.71 117.35 116.67 3bxx s TYR 30 Ca 0.00 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.12 3bxx s TYR 30 Cb 0.00 -3.21 -0.01 0.00 -0.11 0.00 0.00 41.96 38.63 3bxx s TYR 30 CO 0.00 -1.98 -0.16 0.99 -1.11 0.00 0.00 175.55 173.29 3bxx s THR 31 N -3.20 2.69 -0.05 -0.71 2.01 -1.12 -4.16 115.64 111.10 3bxx s THR 31 Ca 0.62 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.90 3bxx s THR 31 Cb -0.14 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3bxx s THR 31 CO 0.54 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 174.08 3bxx s VAL 32 N 0.53 2.31 -0.40 3.82 1.01 0.37 -2.30 120.40 125.74 3bxx s VAL 32 Ca -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 3bxx s VAL 32 Cb -0.16 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.48 3bxx s VAL 32 CO 0.04 0.57 0.20 -0.13 0.00 0.00 0.00 175.10 175.79 3bxx s ARG 33 N -0.38 2.13 -0.01 2.72 0.52 -0.72 -0.55 118.95 122.66 3bxx s ARG 33 Ca 0.03 -1.74 -0.14 0.00 -0.52 0.00 0.00 55.73 53.37 3bxx s ARG 33 Cb -0.12 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.70 3bxx s ARG 33 CO 0.02 -1.03 0.39 0.00 0.02 0.00 0.00 175.30 174.69 3bxx s ALA 34 N 1.19 3.71 -0.19 2.13 0.00 -0.72 -1.96 121.76 125.92 3bxx s ALA 34 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3bxx s ALA 34 Cb -0.23 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3bxx s ALA 34 CO -0.03 0.49 -0.00 0.95 0.00 0.00 0.00 175.76 177.17 3bxx s THR 35 N -1.08 4.06 0.27 0.00 -4.23 -1.10 0.22 115.64 113.77 3bxx s THR 35 Ca 0.23 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 3bxx s THR 35 Cb -0.16 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3bxx s THR 35 CO 0.13 0.45 0.03 0.68 -0.54 0.00 0.00 174.62 175.37 3bxx s VAL 36 N 0.75 3.58 -0.26 2.29 -7.23 0.33 -1.79 120.40 118.06 3bxx s VAL 36 Ca 0.00 -1.83 0.20 0.00 -1.81 0.00 0.00 61.98 58.54 3bxx s VAL 36 Cb -0.14 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 33.96 3bxx s VAL 36 CO 0.02 -0.37 1.24 0.03 -0.31 0.00 0.00 175.10 175.72 3bxx h ARG 37 N 1.82 0.00 -1.62 4.82 3.08 -1.84 -2.23 114.38 118.41 3bxx h ARG 37 Ca -0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.43 3bxx h ARG 37 Cb 1.25 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.02 3bxx h ARG 37 CO 0.61 0.14 -0.53 0.34 -1.07 0.00 0.00 179.97 179.46 3bxx s ASP 38 N -5.89 0.17 0.00 7.04 2.15 -1.26 -4.68 116.67 114.19 3bxx s ASP 38 Ca 0.02 -0.43 0.23 0.00 0.43 0.00 0.00 52.55 52.81 3bxx s ASP 38 Cb 0.08 1.19 1.03 0.00 -0.30 0.00 0.00 42.92 44.92 3bxx s ASP 38 CO 0.75 -0.34 1.75 -0.81 -0.17 0.00 0.00 175.17 176.36 3bxx n PRO 39 N 5.25 0.05 0.00 4.34 -0.04 -1.26 -2.76 135.00 140.58 3bxx n PRO 39 Ca 0.02 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 3bxx n PRO 39 Cb 0.50 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.00 3bxx n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3bxx n THR 40 N -1.47 0.00 -2.49 0.52 -2.24 -1.26 -4.73 114.28 102.60 3bxx n THR 40 Ca 0.06 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3bxx n THR 40 Cb 0.26 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3bxx n THR 40 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bxx s ASN 41 N -2.68 6.33 0.18 3.42 3.84 -1.11 -4.87 114.94 120.04 3bxx s ASN 41 Ca 0.22 0.25 -0.13 0.00 0.21 0.00 0.00 52.86 53.41 3bxx s ASN 41 Cb 0.19 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.42 3bxx s ASN 41 CO 0.53 -1.56 1.79 0.58 -2.79 0.00 0.00 177.10 175.65 3bxx h VAL 42 N 6.27 1.19 -0.93 -5.21 2.07 -1.90 -1.43 116.25 116.30 3bxx h VAL 42 Ca -0.26 -0.48 0.21 0.00 0.82 0.00 0.00 66.70 66.99 3bxx h VAL 42 Cb 1.07 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.16 3bxx h VAL 42 CO 1.17 0.21 0.49 0.11 0.02 0.00 0.00 177.57 179.57 3bxx h LYS 43 N 0.80 0.54 -0.17 1.57 1.79 -1.99 0.23 116.57 119.34 3bxx h LYS 43 Ca 0.21 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.43 3bxx h LYS 43 Cb 0.04 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 3bxx h LYS 43 CO -0.03 0.36 -0.72 0.87 -1.08 0.00 0.00 179.45 178.84 3bxx h LYS 44 N 0.55 0.79 0.00 3.15 1.79 -1.64 -3.39 116.57 117.82 3bxx h LYS 44 Ca 0.57 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3bxx h LYS 44 Cb 1.00 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3bxx h LYS 44 CO -0.46 1.23 -1.58 1.33 -1.08 0.00 0.00 179.45 178.89 3bxx n VAL 45 N -3.98 0.00 -0.04 0.50 0.24 -0.88 -4.66 118.33 109.52 3bxx n VAL 45 Ca -0.07 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 3bxx n VAL 45 Cb 0.72 0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 3bxx n VAL 45 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3bxx h LYS 46 N 0.00 -0.06 0.00 7.34 3.64 -0.74 0.36 116.57 127.10 3bxx h LYS 46 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3bxx h LYS 46 Cb 0.68 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3bxx h LYS 46 CO 0.00 -0.04 -0.08 1.12 -2.27 0.00 0.00 179.45 178.18 3bxx h HIS 47 N -0.06 0.00 0.00 1.91 2.07 -1.83 -1.45 115.15 115.78 3bxx h HIS 47 Ca 0.11 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.48 3bxx h HIS 47 Cb 0.22 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.18 3bxx h HIS 47 CO -0.25 0.08 -0.68 -0.07 -3.07 0.00 0.00 177.93 173.94 3bxx h LEU 48 N 0.00 0.00 0.00 6.12 3.38 -1.23 -3.33 115.31 120.25 3bxx h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bxx h LEU 48 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3bxx h LEU 48 CO 0.01 0.68 -0.45 -0.07 0.09 0.00 0.00 178.44 178.70 3bxx h LEU 49 N 0.00 0.00 -0.51 1.67 3.38 -0.56 -3.16 115.31 116.13 3bxx h LEU 49 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3bxx h LEU 49 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3bxx h LEU 49 CO 0.09 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.15 3bxx n ASP 50 N -2.28 0.79 -4.69 -0.43 8.00 -1.15 -4.73 116.55 112.06 3bxx n ASP 50 Ca 0.04 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 3bxx n ASP 50 Cb 0.45 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3bxx n ASP 50 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bxx s LEU 51 N -1.99 4.39 0.53 0.64 1.43 -1.20 -4.88 118.68 117.61 3bxx s LEU 51 Ca 0.42 2.66 -0.21 0.00 -1.03 0.00 0.00 54.13 55.97 3bxx s LEU 51 Cb 0.21 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.80 3bxx s LEU 51 CO 0.35 -0.96 1.04 -0.81 0.23 0.00 0.00 176.35 176.20 3bxx n PRO 52 N 5.60 1.18 -0.99 1.29 -0.04 -1.26 -0.38 135.00 140.40 3bxx n PRO 52 Ca 0.17 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3bxx n PRO 52 Cb 0.39 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3bxx n PRO 52 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3bxx n LYS 53 N -0.61 -0.18 0.15 0.54 5.02 -1.26 -4.91 118.16 116.91 3bxx n LYS 53 Ca 0.12 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 3bxx n LYS 53 Cb 0.44 -3.14 -0.08 0.00 -0.02 0.00 0.00 35.03 32.24 3bxx n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bxx h ALA 54 N 0.00 -0.39 -0.51 7.82 0.00 -1.00 0.62 119.26 125.80 3bxx h ALA 54 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3bxx h ALA 54 Cb 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3bxx h ALA 54 CO 0.00 -0.59 -0.20 0.93 0.00 0.00 0.00 179.25 179.40 3bxx h GLU 55 N -0.65 -0.08 0.36 0.00 5.08 -1.85 -1.84 114.58 115.60 3bxx h GLU 55 Ca -0.04 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3bxx h GLU 55 Cb 0.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3bxx h GLU 55 CO 0.07 -0.05 -0.17 1.79 -1.00 0.00 0.00 179.01 179.64 3bxx h THR 56 N -0.08 0.35 -0.01 1.13 1.35 -1.93 -3.41 112.91 110.31 3bxx h THR 56 Ca 0.24 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3bxx h THR 56 Cb 0.45 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3bxx h THR 56 CO -0.57 0.08 -0.38 1.41 -0.25 0.00 0.00 175.52 175.82 3bxx n HIS 57 N -5.11 0.00 -4.26 4.73 8.25 0.20 -4.98 115.22 114.05 3bxx n HIS 57 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 3bxx n HIS 57 Cb 0.25 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3bxx n HIS 57 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3bxx s LEU 58 N -2.08 3.52 0.18 2.41 2.96 -0.69 -0.48 118.68 124.49 3bxx s LEU 58 Ca 0.08 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 3bxx s LEU 58 Cb 0.10 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3bxx s LEU 58 CO 0.38 0.22 -0.18 0.42 -1.32 0.00 0.00 176.35 175.88 3bxx s THR 59 N 0.08 1.86 0.04 3.68 -4.23 0.29 -4.75 115.64 112.61 3bxx s THR 59 Ca 0.02 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3bxx s THR 59 Cb -0.13 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 3bxx s THR 59 CO 0.02 -0.38 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.71 3bxx s LEU 60 N -2.87 2.22 0.04 4.79 1.43 -1.26 -1.76 118.68 121.26 3bxx s LEU 60 Ca 0.18 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3bxx s LEU 60 Cb -0.05 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3bxx s LEU 60 CO 0.07 0.26 -0.06 0.26 0.23 0.00 0.00 176.35 177.12 3bxx s TRP 61 N -0.80 0.52 -0.29 0.29 0.52 0.13 -4.90 118.94 114.41 3bxx s TRP 61 Ca 0.12 -0.54 -0.05 0.00 0.02 0.00 0.00 56.10 55.65 3bxx s TRP 61 Cb -0.10 -0.33 0.02 0.00 -1.15 0.00 0.00 33.47 31.91 3bxx s TRP 61 CO 0.02 -0.13 0.03 0.21 0.02 0.00 0.00 176.95 177.10 3bxx s LYS 62 N -1.66 2.92 0.25 4.98 2.20 -1.26 -0.51 119.74 126.67 3bxx s LYS 62 Ca -0.11 -0.95 -0.06 0.00 -0.36 0.00 0.00 55.97 54.49 3bxx s LYS 62 Cb -0.09 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 3bxx s LYS 62 CO -0.01 -0.46 0.34 0.00 -0.36 0.00 0.00 175.35 174.86 3bxx s ALA 63 N 1.42 0.57 -0.21 3.13 0.00 -0.84 -4.91 121.76 120.93 3bxx s ALA 63 Ca 0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 3bxx s ALA 63 Cb -0.17 1.22 0.09 0.00 0.00 0.00 0.00 23.12 24.26 3bxx s ALA 63 CO 0.00 -0.74 0.45 0.34 0.00 0.00 0.00 175.76 175.82 3bxx s ASP 64 N -3.13 -0.41 0.46 0.00 -1.08 -1.26 -3.73 116.67 107.52 3bxx s ASP 64 Ca 0.31 1.06 0.36 0.00 -0.52 0.00 0.00 52.55 53.76 3bxx s ASP 64 Cb 0.02 1.39 1.53 0.00 -1.46 0.00 0.00 42.92 44.40 3bxx s ASP 64 CO 0.13 -0.23 1.54 0.18 0.52 0.00 0.00 175.17 177.31 3bxx n LEU 65 N 5.23 0.16 0.09 -1.34 4.77 -1.26 0.19 117.00 124.84 3bxx n LEU 65 Ca -0.11 1.28 -0.03 0.00 -0.03 0.00 0.00 56.01 57.11 3bxx n LEU 65 Cb 0.50 -0.63 0.18 0.00 -2.33 0.00 0.00 43.42 41.14 3bxx n LEU 65 CO 0.00 -1.37 0.58 0.00 -1.33 0.00 0.00 177.39 175.27 3bxx h ALA 66 N 1.43 1.00 -1.78 -1.18 0.00 -1.96 -3.36 119.26 113.40 3bxx h ALA 66 Ca 0.88 -0.46 -0.62 0.00 0.00 0.00 0.00 54.91 54.71 3bxx h ALA 66 Cb 3.02 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 20.59 3bxx h ALA 66 CO -0.36 0.64 0.55 -0.51 0.00 0.00 0.00 179.25 179.58 3bxx s ASP 67 N -6.88 6.30 0.29 0.00 1.01 0.13 -5.03 116.67 112.48 3bxx s ASP 67 Ca -0.04 -0.51 -0.28 0.00 0.71 0.00 0.00 52.55 52.43 3bxx s ASP 67 Cb 0.13 -2.43 -0.14 0.00 1.01 0.00 0.00 42.92 41.49 3bxx s ASP 67 CO 0.78 -1.27 0.93 -1.84 0.21 0.00 0.00 175.17 173.98 3bxx n GLU 68 N 7.49 1.14 0.00 8.23 -0.00 -1.26 -2.15 120.64 134.09 3bxx n GLU 68 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 57.16 57.56 3bxx n GLU 68 Cb 0.47 -1.72 0.00 0.00 -0.00 0.00 0.00 31.44 30.19 3bxx n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3bxx n GLY 69 N 1.34 2.16 0.28 -1.84 0.00 -1.26 -4.89 105.19 100.99 3bxx n GLY 69 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 3bxx n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bxx h SER 70 N 0.00 0.00 -0.51 1.61 4.64 -1.74 0.21 113.55 117.76 3bxx h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bxx h SER 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bxx h SER 70 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3bxx n PHE 71 N -2.85 0.67 0.05 4.77 3.01 -1.26 -4.58 117.46 117.27 3bxx n PHE 71 Ca -0.02 -0.33 -0.15 0.00 1.01 0.00 0.00 57.45 57.96 3bxx n PHE 71 Cb 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.47 3bxx n PHE 71 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3bxx h ASP 72 N 3.83 -1.56 -0.80 4.37 3.32 -0.94 -2.76 116.42 121.87 3bxx h ASP 72 Ca 0.00 0.18 0.18 0.00 0.02 0.00 0.00 57.03 57.41 3bxx h ASP 72 Cb 0.86 0.59 -0.12 0.00 0.22 0.00 0.00 39.33 40.89 3bxx h ASP 72 CO 0.00 -0.49 0.26 -0.08 -1.72 0.00 0.00 179.24 177.21 3bxx h GLU 73 N -0.63 0.32 -0.38 3.56 4.81 -1.81 -1.37 114.58 119.08 3bxx h GLU 73 Ca 0.01 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 3bxx h GLU 73 Cb 0.68 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3bxx h GLU 73 CO -0.34 0.21 -0.36 0.00 -0.73 0.00 0.00 179.01 177.79 3bxx h ALA 74 N 1.65 0.64 0.00 2.92 0.00 -1.84 -3.21 119.26 119.42 3bxx h ALA 74 Ca 0.47 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3bxx h ALA 74 Cb 0.84 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3bxx h ALA 74 CO -0.52 0.67 -0.97 0.82 0.00 0.00 0.00 179.25 179.25 3bxx h ILE 75 N 0.73 1.49 -0.98 0.00 2.04 -0.99 -3.43 117.51 116.37 3bxx h ILE 75 Ca 0.07 -3.14 -0.85 0.00 1.00 0.00 0.00 64.86 61.94 3bxx h ILE 75 Cb 0.94 2.73 0.02 0.00 -0.74 0.00 0.00 36.82 39.76 3bxx h ILE 75 CO 0.09 0.85 0.59 1.17 0.00 0.00 0.00 178.15 180.85 3bxx n LYS 76 N -3.30 0.00 -0.95 2.37 4.81 -0.78 -0.38 118.16 119.93 3bxx n LYS 76 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3bxx n LYS 76 Cb 0.91 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.49 3bxx n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bxx n GLY 77 N 3.58 0.41 3.81 3.14 0.00 -1.26 -5.02 105.19 109.84 3bxx n GLY 77 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 3bxx n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx h THR 79 N 3.96 1.42 -1.84 0.00 1.35 -1.23 -2.73 112.91 113.84 3bxx h THR 79 Ca -0.49 -2.36 -0.50 0.00 -0.55 0.00 0.00 66.41 62.51 3bxx h THR 79 Cb 1.21 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 69.88 3bxx h THR 79 CO 0.65 0.70 -0.45 -0.83 -0.25 0.00 0.00 175.52 175.34 3bxx s GLY 80 N -4.40 1.80 -0.23 5.82 0.00 -1.25 0.02 107.32 109.09 3bxx s GLY 80 Ca -0.05 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 42.96 3bxx s GLY 80 CO 0.84 -1.60 0.17 0.14 0.00 0.00 0.00 173.10 172.65 3bxx s VAL 81 N -2.32 -0.20 -0.96 1.40 1.01 -1.08 -2.99 120.40 115.26 3bxx s VAL 81 Ca 0.41 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3bxx s VAL 81 Cb -0.05 -0.76 0.11 0.00 0.00 0.00 0.00 36.38 35.67 3bxx s VAL 81 CO 0.26 -0.40 1.22 -0.36 0.00 0.00 0.00 175.10 175.83 3bxx s PHE 82 N 2.22 2.96 -0.78 5.22 0.08 0.79 -1.36 117.98 127.11 3bxx s PHE 82 Ca 0.06 -1.24 -0.26 0.00 0.12 0.00 0.00 56.93 55.61 3bxx s PHE 82 Cb -0.16 -4.40 0.02 0.00 -0.57 0.00 0.00 43.02 37.92 3bxx s PHE 82 CO -0.20 -1.62 1.40 -1.58 -0.10 0.00 0.00 175.22 173.12 3bxx s HIS 83 N 3.33 2.23 -0.11 0.36 5.65 0.38 -2.00 115.29 125.13 3bxx s HIS 83 Ca 0.37 -0.06 0.12 0.00 0.25 0.00 0.00 55.06 55.74 3bxx s HIS 83 Cb -0.03 -4.56 -0.16 0.00 -1.18 0.00 0.00 32.58 26.64 3bxx s HIS 83 CO -0.10 -2.08 0.07 0.28 -0.65 0.00 0.00 174.74 172.27 3bxx n VAL 84 N 6.61 0.78 -1.65 0.89 0.31 -1.19 -2.35 118.33 121.73 3bxx n VAL 84 Ca 0.11 -0.52 -0.38 0.00 -0.01 0.00 0.00 64.34 63.54 3bxx n VAL 84 Cb 0.50 -0.56 0.05 0.00 -0.91 0.00 0.00 33.84 32.91 3bxx n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bxx n ALA 85 N -2.42 0.51 -3.28 3.52 0.00 -1.11 -4.90 120.51 112.83 3bxx n ALA 85 Ca -0.19 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 3bxx n ALA 85 Cb 0.86 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 3bxx n ALA 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3bxx s THR 86 N -1.43 0.04 0.48 0.00 -1.32 -1.26 -4.97 115.64 107.18 3bxx s THR 86 Ca 0.73 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.69 3bxx s THR 86 Cb -0.44 -0.64 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 3bxx s THR 86 CO 0.49 -0.17 1.10 -2.84 -2.21 0.00 0.00 174.62 170.98 3bxx s PRO 87 N -0.96 3.74 0.01 7.08 0.02 -1.26 -5.07 135.00 138.56 3bxx s PRO 87 Ca -0.10 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 3bxx s PRO 87 Cb -0.04 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 3bxx s PRO 87 CO 0.04 -0.52 0.15 -1.64 -0.33 0.00 0.00 177.00 174.70 3bxx s MET 88 N -2.95 3.29 -0.94 5.54 1.00 -1.26 -4.98 119.30 118.99 3bxx s MET 88 Ca 0.66 -0.42 -0.21 0.00 0.00 0.00 0.00 55.69 55.72 3bxx s MET 88 Cb -0.23 -2.99 -0.11 0.00 0.00 0.00 0.00 34.83 31.50 3bxx s MET 88 CO 0.27 0.65 1.98 -3.47 0.00 0.00 0.00 175.02 174.45 3bxx n ASP 89 N 0.84 2.88 -0.00 3.03 2.03 -1.26 -4.64 116.55 119.42 3bxx n ASP 89 Ca -0.10 -2.72 -0.19 0.00 0.52 0.00 0.00 54.79 52.30 3bxx n ASP 89 Cb 0.52 -1.28 -0.14 0.00 -0.72 0.00 0.00 41.12 39.50 3bxx n ASP 89 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3bxx h PHE 90 N 7.68 0.35 -0.29 -0.67 3.57 -1.96 -3.29 116.94 122.32 3bxx h PHE 90 Ca 0.43 -0.26 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 3bxx h PHE 90 Cb 0.69 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3bxx h PHE 90 CO 1.28 1.33 -0.39 0.93 -2.23 0.00 0.00 178.31 179.24 3bxx h GLU 91 N -0.54 0.69 -3.24 1.11 4.39 -2.00 -3.46 114.58 111.53 3bxx h GLU 91 Ca -0.18 -0.35 -0.38 0.00 0.34 0.00 0.00 59.36 58.79 3bxx h GLU 91 Cb 1.51 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.18 3bxx h GLU 91 CO 0.06 0.96 -0.52 0.43 -1.16 0.00 0.00 179.01 178.78 3bxx n SER 92 N -4.04 -5.65 -0.05 1.42 7.64 -1.24 -4.88 113.62 106.82 3bxx n SER 92 Ca -0.02 -0.10 -0.04 0.00 1.01 0.00 0.00 58.87 59.71 3bxx n SER 92 Cb 0.52 -4.61 -0.10 0.00 -1.01 0.00 0.00 64.21 59.01 3bxx n SER 92 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bxx n LYS 93 N -3.18 1.83 -2.91 1.43 5.02 -1.26 -4.99 118.16 114.11 3bxx n LYS 93 Ca -0.19 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.05 3bxx n LYS 93 Cb 0.65 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3bxx n LYS 93 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bxx s ASP 94 N -4.37 -1.32 0.30 4.39 -1.08 -1.26 -5.04 116.67 108.28 3bxx s ASP 94 Ca -0.06 -1.55 0.03 0.00 -0.52 0.00 0.00 52.55 50.46 3bxx s ASP 94 Cb 0.04 1.81 0.47 0.00 -1.46 0.00 0.00 42.92 43.78 3bxx s ASP 94 CO 0.50 -0.09 1.77 1.55 0.52 0.00 0.00 175.17 179.42 3bxx h PRO 95 N 5.56 0.50 -0.37 4.34 0.14 -1.98 0.78 132.00 140.97 3bxx h PRO 95 Ca 0.06 -0.16 0.06 0.00 0.14 0.00 0.00 66.00 66.11 3bxx h PRO 95 Cb 1.12 -0.04 -0.06 0.00 0.14 0.00 0.00 31.00 32.16 3bxx h PRO 95 CO 0.05 0.65 0.02 1.49 0.14 0.00 0.00 178.00 180.35 3bxx h GLU 96 N 0.45 0.12 0.12 0.86 4.57 -1.96 -1.22 114.58 117.51 3bxx h GLU 96 Ca 0.08 -0.01 -0.30 0.00 -1.18 0.00 0.00 59.36 57.95 3bxx h GLU 96 Cb 0.56 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3bxx h GLU 96 CO 0.04 0.08 -1.46 -0.91 -1.18 0.00 0.00 179.01 175.57 3bxx h ASN 97 N 0.12 0.40 0.06 1.04 2.35 -1.85 0.10 115.58 117.80 3bxx h ASN 97 Ca 0.18 -0.52 -0.20 0.00 -0.55 0.00 0.00 56.30 55.21 3bxx h ASN 97 Cb 0.24 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.50 3bxx h ASN 97 CO -0.29 1.42 -0.83 -0.08 -1.65 0.00 0.00 177.43 176.00 3bxx h GLU 98 N 0.07 0.46 0.00 0.81 4.81 -0.82 -3.42 114.58 116.49 3bxx h GLU 98 Ca -0.22 -0.57 -0.17 0.00 -0.13 0.00 0.00 59.36 58.27 3bxx h GLU 98 Cb 2.01 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 31.54 3bxx h GLU 98 CO 0.17 1.22 -1.65 0.28 -0.73 0.00 0.00 179.01 178.30 3bxx n VAL 99 N -4.07 0.65 -0.08 0.32 0.31 -0.56 -4.70 118.33 110.20 3bxx n VAL 99 Ca -0.12 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 3bxx n VAL 99 Cb 0.80 -0.89 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 3bxx n VAL 99 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3bxx h ILE 100 N 0.00 0.45 -0.71 2.52 2.04 -0.92 -3.20 117.51 117.69 3bxx h ILE 100 Ca -0.25 -1.55 0.07 0.00 1.00 0.00 0.00 64.86 64.12 3bxx h ILE 100 Cb 1.41 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 38.45 3bxx h ILE 100 CO -0.03 0.15 -0.55 0.50 0.00 0.00 0.00 178.15 178.22 3bxx h LYS 101 N -1.00 -0.15 0.00 2.37 3.64 -1.06 -2.45 116.57 117.92 3bxx h LYS 101 Ca -0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3bxx h LYS 101 Cb 0.85 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3bxx h LYS 101 CO -0.09 -0.10 0.00 -1.35 -2.27 0.00 0.00 179.45 175.63 3bxx h PRO 102 N -0.16 0.00 -0.38 1.90 0.11 -1.81 0.79 132.00 132.45 3bxx h PRO 102 Ca 0.12 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.06 3bxx h PRO 102 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3bxx h PRO 102 CO -0.75 0.00 -0.39 1.15 -0.21 0.00 0.00 178.00 177.80 3bxx h THR 103 N 0.00 1.27 0.03 -1.15 2.02 -1.51 0.65 112.91 114.22 3bxx h THR 103 Ca 0.00 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 3bxx h THR 103 Cb 0.67 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3bxx h THR 103 CO 0.00 0.52 -0.02 0.40 0.37 0.00 0.00 175.52 176.80 3bxx h ILE 104 N 0.77 0.00 -0.74 3.11 2.04 -0.99 -2.89 117.51 118.80 3bxx h ILE 104 Ca 0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3bxx h ILE 104 Cb 0.99 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3bxx h ILE 104 CO 0.10 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 178.36 3bxx h GLU 105 N -0.06 1.01 -0.26 2.37 5.08 -0.97 -1.64 114.58 120.10 3bxx h GLU 105 Ca -0.00 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3bxx h GLU 105 Cb 0.03 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3bxx h GLU 105 CO 0.01 0.71 -0.26 0.78 -1.00 0.00 0.00 179.01 179.25 3bxx h GLY 106 N 1.05 -1.64 -0.61 -3.84 0.00 -0.97 0.26 103.07 97.32 3bxx h GLY 106 Ca 0.27 0.85 0.15 0.00 0.00 0.00 0.00 47.33 48.60 3bxx h GLY 106 CO -0.05 -0.49 -0.23 1.98 0.00 0.00 0.00 176.54 177.75 3bxx h MET 107 N -0.13 -0.02 -0.43 4.80 1.85 -1.10 0.13 114.93 120.04 3bxx h MET 107 Ca 0.04 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.01 3bxx h MET 107 Cb 0.24 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 3bxx h MET 107 CO -0.31 -0.01 -0.24 -0.07 -0.40 0.00 0.00 176.91 175.87 3bxx h LEU 108 N -0.02 0.91 0.04 3.39 3.38 -0.66 0.26 115.31 122.61 3bxx h LEU 108 Ca 0.37 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3bxx h LEU 108 Cb 0.59 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3bxx h LEU 108 CO -0.82 1.11 -0.40 1.23 0.09 0.00 0.00 178.44 179.64 3bxx h GLY 109 N 0.91 -0.76 1.32 0.83 0.00 0.12 0.07 103.07 105.55 3bxx h GLY 109 Ca 0.10 0.49 0.10 0.00 0.00 0.00 0.00 47.33 48.01 3bxx h GLY 109 CO 0.07 -0.25 0.25 -2.22 0.00 0.00 0.00 176.54 174.38 3bxx h ILE 110 N -0.59 0.81 -0.12 2.60 2.04 -0.79 1.08 117.51 122.54 3bxx h ILE 110 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 3bxx h ILE 110 Cb 0.65 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3bxx h ILE 110 CO -0.28 0.00 -0.34 0.24 0.00 0.00 0.00 178.15 177.76 3bxx h MET 111 N 0.00 0.44 0.11 2.37 2.86 -0.35 -2.63 114.93 117.72 3bxx h MET 111 Ca 0.16 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3bxx h MET 111 Cb 0.65 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3bxx h MET 111 CO -0.00 0.93 -0.05 0.87 1.06 0.00 0.00 176.91 179.72 3bxx h LYS 112 N 0.02 -0.14 -1.29 1.72 1.57 0.05 -2.92 116.57 115.58 3bxx h LYS 112 Ca -0.01 0.01 0.41 0.00 -1.87 0.00 0.00 60.65 59.19 3bxx h LYS 112 Cb 0.96 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.19 3bxx h LYS 112 CO 0.07 0.25 0.84 0.77 -0.57 0.00 0.00 179.45 180.81 3bxx h SER 113 N -0.55 0.26 0.32 0.86 0.02 0.11 0.15 113.55 114.72 3bxx h SER 113 Ca -0.01 0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 3bxx h SER 113 Cb 0.45 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3bxx h SER 113 CO 0.02 -0.12 -0.73 0.00 -1.14 0.00 0.00 176.83 174.86 3bxx h ALA 115 N 0.98 0.31 -0.63 0.00 0.00 -0.58 -3.13 119.26 116.21 3bxx h ALA 115 Ca -0.03 -0.56 0.12 0.00 0.00 0.00 0.00 54.91 54.45 3bxx h ALA 115 Cb 1.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3bxx h ALA 115 CO 0.12 0.60 0.43 0.00 0.00 0.00 0.00 179.25 180.40 3bxx h ALA 116 N 0.56 2.14 -0.31 0.00 0.00 -1.22 -2.55 119.26 117.88 3bxx h ALA 116 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bxx h ALA 116 Cb 1.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3bxx h ALA 116 CO 0.14 -0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.28 3bxx h ALA 117 N 1.69 0.39 0.00 0.00 0.00 -1.46 -3.46 119.26 116.42 3bxx h ALA 117 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3bxx h ALA 117 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bxx h ALA 117 CO -0.08 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.63 3bxx n LYS 118 N -4.91 -1.19 -0.01 0.00 4.01 -0.96 -4.71 118.16 110.39 3bxx n LYS 118 Ca -0.01 0.30 -0.01 0.00 -0.51 0.00 0.00 58.31 58.08 3bxx n LYS 118 Cb 0.05 -4.32 -0.02 0.00 -0.51 0.00 0.00 35.03 30.23 3bxx n LYS 118 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3bxx n THR 119 N -2.26 0.18 -2.22 -0.18 -1.04 -1.26 -4.98 114.28 102.52 3bxx n THR 119 Ca 0.00 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 3bxx n THR 119 Cb 0.30 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 3bxx n THR 119 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3bxx s VAL 120 N -2.08 3.93 -0.32 12.58 1.01 -1.03 -4.22 120.40 130.27 3bxx s VAL 120 Ca -0.01 1.12 0.22 0.00 0.00 0.00 0.00 61.98 63.31 3bxx s VAL 120 Cb 0.01 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.44 3bxx s VAL 120 CO 0.12 -0.11 0.75 -2.11 0.00 0.00 0.00 175.10 173.75 3bxx n ARG 121 N 6.89 0.48 -3.65 2.72 1.85 0.10 -4.94 116.66 120.11 3bxx n ARG 121 Ca 0.16 -0.08 -0.06 0.00 -1.00 0.00 0.00 57.85 56.87 3bxx n ARG 121 Cb 0.44 -1.59 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 3bxx n ARG 121 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3bxx s ARG 122 N -3.35 0.60 -0.19 2.89 3.52 -1.19 -4.63 118.95 116.59 3bxx s ARG 122 Ca -0.02 1.22 -0.09 0.00 -0.13 0.00 0.00 55.73 56.70 3bxx s ARG 122 Cb 0.14 0.33 -0.05 0.00 -1.56 0.00 0.00 34.95 33.81 3bxx s ARG 122 CO 0.86 -0.17 0.12 -1.17 -0.81 0.00 0.00 175.30 174.13 3bxx s LEU 123 N 2.02 4.16 -0.21 -0.88 0.20 -0.15 -2.62 118.68 121.21 3bxx s LEU 123 Ca -0.08 0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 3bxx s LEU 123 Cb -0.08 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.61 3bxx s LEU 123 CO -0.18 0.21 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.31 3bxx s VAL 124 N 0.20 3.00 0.09 1.68 1.01 -0.46 -1.64 120.40 124.27 3bxx s VAL 124 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 3bxx s VAL 124 Cb -0.11 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 3bxx s VAL 124 CO -0.01 0.45 0.48 0.12 0.00 0.00 0.00 175.10 176.14 3bxx s PHE 125 N 1.42 3.64 -0.48 5.22 5.36 -0.55 -0.47 117.98 132.13 3bxx s PHE 125 Ca 0.05 0.98 -0.12 0.00 -0.96 0.00 0.00 56.93 56.89 3bxx s PHE 125 Cb -0.14 -2.30 0.11 0.00 -0.34 0.00 0.00 43.02 40.35 3bxx s PHE 125 CO -0.06 0.51 0.38 0.99 -1.46 0.00 0.00 175.22 175.58 3bxx s THR 126 N -1.34 4.62 0.00 0.12 2.01 -0.99 -1.16 115.64 118.90 3bxx s THR 126 Ca 0.33 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.79 3bxx s THR 126 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.42 3bxx s THR 126 CO 0.18 -0.72 0.00 -0.24 -0.69 0.00 0.00 174.62 173.14 3bxx n SER 127 N 5.04 0.00 -3.90 3.53 2.88 0.00 -4.93 113.62 116.24 3bxx n SER 127 Ca -0.11 -0.43 -0.10 0.00 -1.33 0.00 0.00 58.87 56.90 3bxx n SER 127 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 3bxx n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3bxx s SER 128 N -1.00 0.09 0.49 -3.46 0.15 -1.26 -4.38 113.70 104.33 3bxx s SER 128 Ca 0.00 -0.29 0.19 0.00 0.70 0.00 0.00 55.95 56.55 3bxx s SER 128 Cb 0.00 0.17 1.24 0.00 -1.71 0.00 0.00 66.02 65.72 3bxx s SER 128 CO 0.00 -0.34 2.02 0.00 1.20 0.00 0.00 173.24 176.11 3bxx h ALA 129 N 4.41 2.24 0.00 5.45 0.00 -1.79 -1.24 119.26 128.33 3bxx h ALA 129 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bxx h ALA 129 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3bxx h ALA 129 CO 0.41 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3bxx n GLY 130 N -1.58 -0.74 0.00 0.00 0.00 -1.26 -0.17 105.19 101.44 3bxx n GLY 130 Ca 0.08 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3bxx n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bxx n THR 131 N -1.72 0.24 0.00 2.61 -2.24 -0.47 -4.45 114.28 108.26 3bxx n THR 131 Ca 0.01 0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3bxx n THR 131 Cb 0.06 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3bxx n THR 131 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3bxx n VAL 132 N -1.52 0.65 -1.51 2.28 0.31 0.76 0.12 118.33 119.42 3bxx n VAL 132 Ca 0.06 0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 64.47 3bxx n VAL 132 Cb 0.30 -1.50 0.14 0.00 -0.91 0.00 0.00 33.84 31.88 3bxx n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3bxx n ASN 133 N -3.15 4.03 -4.33 4.52 6.94 -1.11 -3.26 115.26 118.90 3bxx n ASN 133 Ca -0.02 -3.76 -0.45 0.00 -0.02 0.00 0.00 54.58 50.33 3bxx n ASN 133 Cb 0.08 -0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 36.77 3bxx n ASN 133 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3bxx s ILE 134 N -3.79 5.10 0.19 1.53 -1.09 -1.26 -4.95 121.20 116.93 3bxx s ILE 134 Ca 0.51 -1.35 -0.24 0.00 -2.23 0.00 0.00 60.65 57.35 3bxx s ILE 134 Cb 0.44 -4.18 0.06 0.00 -1.58 0.00 0.00 42.46 37.19 3bxx s ILE 134 CO 0.02 -0.74 0.91 0.00 -1.23 0.00 0.00 174.94 173.91 3bxx s GLN 135 N 1.59 1.35 0.39 2.79 -2.07 -1.26 -2.41 119.66 120.05 3bxx s GLN 135 Ca 0.04 -0.76 0.12 0.00 -1.82 0.00 0.00 55.36 52.94 3bxx s GLN 135 Cb -0.27 0.45 0.94 0.00 -1.09 0.00 0.00 33.01 33.04 3bxx s GLN 135 CO 0.04 -0.62 1.90 1.49 -1.32 0.00 0.00 175.29 176.78 3bxx h GLU 136 N 2.00 0.53 -4.42 9.60 4.81 -1.96 -3.40 114.58 121.74 3bxx h GLU 136 Ca -0.23 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.65 3bxx h GLU 136 Cb 1.23 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 30.23 3bxx h GLU 136 CO 0.26 0.35 -0.75 -1.01 -0.73 0.00 0.00 179.01 177.13 3bxx s HIS 137 N -5.53 0.56 -0.12 0.92 3.76 -1.26 -5.13 115.29 108.48 3bxx s HIS 137 Ca -0.09 -0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.34 3bxx s HIS 137 Cb 0.21 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 3bxx s HIS 137 CO 0.78 -0.03 0.84 -0.65 -0.85 0.00 0.00 174.74 174.82 3bxx s GLN 138 N -0.61 4.37 0.52 1.40 -1.52 -1.26 -5.05 119.66 117.51 3bxx s GLN 138 Ca -0.02 1.07 -0.20 0.00 -1.95 0.00 0.00 55.36 54.26 3bxx s GLN 138 Cb -0.05 -3.53 -0.07 0.00 -0.22 0.00 0.00 33.01 29.15 3bxx s GLN 138 CO 0.00 -0.21 1.11 -0.51 -0.25 0.00 0.00 175.29 175.43 3bxx s LEU 139 N 1.72 3.79 0.08 2.90 1.43 -1.26 -4.94 118.68 122.40 3bxx s LEU 139 Ca 0.41 2.12 0.21 0.00 -1.03 0.00 0.00 54.13 55.83 3bxx s LEU 139 Cb -0.17 -4.56 0.85 0.00 0.03 0.00 0.00 46.19 42.33 3bxx s LEU 139 CO 0.16 -1.09 1.65 -0.81 0.23 0.00 0.00 176.35 176.49 3bxx n PRO 140 N -1.17 0.07 -3.72 1.29 -0.05 -1.26 -4.66 135.00 125.51 3bxx n PRO 140 Ca 0.11 0.24 -0.12 0.00 -0.05 0.00 0.00 63.50 63.68 3bxx n PRO 140 Cb 0.51 -1.62 -0.11 0.00 -0.05 0.00 0.00 33.50 32.24 3bxx n PRO 140 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3bxx s VAL 141 N -3.09 -0.02 0.07 0.52 1.01 -1.26 -2.48 120.40 115.16 3bxx s VAL 141 Ca 0.08 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3bxx s VAL 141 Cb 0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3bxx s VAL 141 CO 0.38 0.02 -0.16 -0.31 0.00 0.00 0.00 175.10 175.03 3bxx s TYR 142 N 0.87 2.61 0.30 5.22 2.02 -0.39 -4.99 117.35 123.00 3bxx s TYR 142 Ca -0.05 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3bxx s TYR 142 Cb -0.06 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 3bxx s TYR 142 CO -0.07 0.33 0.21 -0.40 -1.57 0.00 0.00 175.55 174.05 3bxx n ASP 143 N 1.21 -0.17 0.00 2.29 5.75 -1.26 -0.43 116.55 123.93 3bxx n ASP 143 Ca -0.15 -2.85 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 3bxx n ASP 143 Cb 0.52 1.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.90 3bxx n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bxx n GLU 144 N -0.60 0.00 0.04 0.11 4.71 -1.26 -2.27 120.64 121.37 3bxx n GLU 144 Ca 0.04 0.16 0.11 0.00 -0.01 0.00 0.00 57.16 57.47 3bxx n GLU 144 Cb 0.51 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.43 3bxx n GLU 144 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3bxx n SER 145 N -1.16 0.57 -4.70 1.62 3.41 -1.26 -4.91 113.62 107.19 3bxx n SER 145 Ca 0.00 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 3bxx n SER 145 Cb 0.00 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 3bxx n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bxx s TRP 147 N 0.96 2.37 0.54 0.00 0.52 -1.26 -4.42 118.94 117.66 3bxx s TRP 147 Ca 0.24 -0.35 -0.19 0.00 0.02 0.00 0.00 56.10 55.82 3bxx s TRP 147 Cb -0.15 -1.28 -0.06 0.00 -1.15 0.00 0.00 33.47 30.83 3bxx s TRP 147 CO 0.10 0.34 1.10 -1.12 0.02 0.00 0.00 176.95 177.39 3bxx s SER 148 N -2.03 5.83 -1.03 2.95 0.01 0.33 -4.81 113.70 114.95 3bxx s SER 148 Ca 0.15 2.09 -0.20 0.00 1.31 0.00 0.00 55.95 59.30 3bxx s SER 148 Cb -0.10 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.66 3bxx s SER 148 CO 0.07 -1.14 1.34 -0.62 0.41 0.00 0.00 173.24 173.30 3bxx s ASP 149 N -1.93 6.65 0.61 2.44 2.15 -1.01 -4.89 116.67 120.70 3bxx s ASP 149 Ca 0.71 -1.98 0.41 0.00 0.43 0.00 0.00 52.55 52.12 3bxx s ASP 149 Cb -0.21 -2.48 2.19 0.00 -0.30 0.00 0.00 42.92 42.11 3bxx s ASP 149 CO 0.27 -1.20 2.25 0.24 -0.17 0.00 0.00 175.17 176.56 3bxx h MET 150 N 8.87 0.00 -0.02 4.34 2.86 -1.93 0.70 114.93 129.75 3bxx h MET 150 Ca 0.22 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.69 3bxx h MET 150 Cb 0.99 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3bxx h MET 150 CO 1.28 0.00 -0.75 1.49 1.06 0.00 0.00 176.91 179.99 3bxx h GLU 151 N 0.00 0.15 0.14 1.72 4.81 -1.99 -1.99 114.58 117.43 3bxx h GLU 151 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3bxx h GLU 151 Cb 0.04 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3bxx h GLU 151 CO 0.00 0.83 -0.07 0.35 -0.73 0.00 0.00 179.01 179.39 3bxx h PHE 152 N 0.10 -0.17 -0.99 0.92 3.57 -1.27 -2.71 116.94 116.38 3bxx h PHE 152 Ca -0.02 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.62 3bxx h PHE 152 Cb 1.32 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 40.02 3bxx h PHE 152 CO 0.02 0.27 0.62 0.00 -2.23 0.00 0.00 178.31 176.98 3bxx h ARG 154 N 0.91 0.43 0.00 0.00 3.08 -1.41 -1.91 114.38 115.48 3bxx h ARG 154 Ca 0.52 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 3bxx h ARG 154 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3bxx h ARG 154 CO -0.31 0.96 -0.46 0.00 -1.07 0.00 0.00 179.97 179.09 3bxx h ALA 155 N 0.96 0.73 0.02 0.04 0.00 -1.27 -3.38 119.26 116.35 3bxx h ALA 155 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 54.91 54.07 3bxx h ALA 155 Cb 1.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3bxx h ALA 155 CO 0.12 0.58 -2.30 1.63 0.00 0.00 0.00 179.25 179.27 3bxx n LYS 156 N -3.25 0.63 -3.20 0.00 4.76 -0.88 -5.03 118.16 111.19 3bxx n LYS 156 Ca 0.02 0.25 -0.15 0.00 -2.87 0.00 0.00 58.31 55.56 3bxx n LYS 156 Cb 0.69 -1.56 0.06 0.00 -1.84 0.00 0.00 35.03 32.39 3bxx n LYS 156 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bxx n LYS 157 N -3.78 -5.52 -1.29 1.97 4.76 -0.72 -5.00 118.16 108.57 3bxx n LYS 157 Ca -0.46 0.63 -0.30 0.00 -2.87 0.00 0.00 58.31 55.32 3bxx n LYS 157 Cb 0.93 -5.05 0.13 0.00 -1.84 0.00 0.00 35.03 29.19 3bxx n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bxx s MET 158 N -5.51 1.34 0.20 1.97 0.23 -1.26 -4.81 119.30 111.46 3bxx s MET 158 Ca 0.22 0.72 -0.32 0.00 -1.03 0.00 0.00 55.69 55.28 3bxx s MET 158 Cb -0.10 -1.83 -0.15 0.00 -1.53 0.00 0.00 34.83 31.23 3bxx s MET 158 CO 0.55 -2.16 1.13 2.41 -2.03 0.00 0.00 175.02 174.93 3bxx n THR 159 N -3.81 1.14 -1.02 3.16 -1.04 -1.26 -1.43 114.28 110.03 3bxx n THR 159 Ca 0.07 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.05 61.79 3bxx n THR 159 Cb 0.56 -0.90 -0.00 0.00 -1.82 0.00 0.00 70.33 68.17 3bxx n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bxx n ALA 160 N 1.23 -0.01 -0.10 2.41 0.00 -1.26 -4.94 120.51 117.84 3bxx n ALA 160 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 3bxx n ALA 160 Cb 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.44 3bxx n ALA 160 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3bxx h TRP 161 N 0.00 -0.18 -0.99 0.00 5.08 -1.56 -1.92 115.95 116.39 3bxx h TRP 161 Ca -0.01 0.03 0.18 0.00 1.08 0.00 0.00 58.89 60.17 3bxx h TRP 161 Cb 0.12 0.13 -0.10 0.00 -3.00 0.00 0.00 29.16 26.32 3bxx h TRP 161 CO 0.07 -0.15 0.61 0.00 -1.28 0.00 0.00 178.44 177.69 3bxx h MET 162 N 0.01 0.72 -0.55 0.12 -0.00 -1.92 -0.04 114.93 113.27 3bxx h MET 162 Ca 0.17 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.78 3bxx h MET 162 Cb 0.26 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 31.68 3bxx h MET 162 CO -0.37 0.48 0.12 1.88 -0.00 0.00 0.00 176.91 179.03 3bxx h TYR 163 N 0.75 0.88 0.21 -0.10 0.05 -1.76 -0.10 116.97 116.89 3bxx h TYR 163 Ca 0.54 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 3bxx h TYR 163 Cb 0.87 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3bxx h TYR 163 CO -0.00 0.74 -0.10 0.74 -1.05 0.00 0.00 178.16 178.48 3bxx h PHE 164 N 0.81 -0.26 0.00 4.88 0.04 -0.95 -3.10 116.94 118.37 3bxx h PHE 164 Ca 0.18 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3bxx h PHE 164 Cb 0.31 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3bxx h PHE 164 CO 0.02 0.07 -0.17 0.28 -0.60 0.00 0.00 178.31 177.91 3bxx h VAL 165 N -0.97 0.73 0.01 -0.55 2.07 -1.18 -0.93 116.25 115.42 3bxx h VAL 165 Ca -0.03 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 66.62 3bxx h VAL 165 Cb 0.45 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3bxx h VAL 165 CO 0.05 0.16 -0.87 0.77 0.02 0.00 0.00 177.57 177.70 3bxx h SER 166 N 0.00 0.08 0.08 0.57 4.64 -1.11 -3.14 113.55 114.67 3bxx h SER 166 Ca -0.00 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 3bxx h SER 166 Cb 0.40 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3bxx h SER 166 CO 0.02 0.91 -0.98 0.11 -0.87 0.00 0.00 176.83 176.02 3bxx h LYS 167 N 0.03 0.17 -0.99 4.77 1.79 -1.31 -2.61 116.57 118.43 3bxx h LYS 167 Ca -0.02 -0.30 0.06 0.00 -2.18 0.00 0.00 60.65 58.21 3bxx h LYS 167 Cb 1.52 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 32.21 3bxx h LYS 167 CO 0.12 1.14 0.64 1.15 -1.08 0.00 0.00 179.45 181.42 3bxx h THR 168 N -0.56 1.09 0.23 -0.16 2.02 -1.31 0.18 112.91 114.40 3bxx h THR 168 Ca -0.21 -0.40 -0.34 0.00 0.77 0.00 0.00 66.41 66.23 3bxx h THR 168 Cb 1.52 -0.18 0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3bxx h THR 168 CO 0.03 0.21 -1.53 -0.07 0.37 0.00 0.00 175.52 174.53 3bxx h LEU 169 N 1.16 0.74 -0.27 2.58 3.38 -1.69 -2.16 115.31 119.06 3bxx h LEU 169 Ca 0.43 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3bxx h LEU 169 Cb 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3bxx h LEU 169 CO -0.17 1.69 -0.08 0.00 0.09 0.00 0.00 178.44 179.97 3bxx h ALA 170 N 0.20 0.16 -0.33 1.53 0.00 -1.05 0.20 119.26 119.97 3bxx h ALA 170 Ca -0.27 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3bxx h ALA 170 Cb 2.14 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.14 3bxx h ALA 170 CO 0.24 -0.48 0.11 1.49 0.00 0.00 0.00 179.25 180.62 3bxx h GLU 171 N -0.02 0.50 0.63 0.00 4.81 -0.65 -1.21 114.58 118.64 3bxx h GLU 171 Ca 0.13 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3bxx h GLU 171 Cb 0.22 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.53 3bxx h GLU 171 CO -0.29 0.53 -0.30 1.96 -0.73 0.00 0.00 179.01 180.17 3bxx h GLN 172 N 0.37 -0.82 -0.98 1.92 4.20 -1.26 -1.97 115.11 116.58 3bxx h GLN 172 Ca 0.11 0.06 0.19 0.00 0.06 0.00 0.00 58.65 59.07 3bxx h GLN 172 Cb 0.23 0.19 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 3bxx h GLN 172 CO -0.01 -0.53 0.61 0.00 -0.67 0.00 0.00 178.83 178.23 3bxx h ALA 173 N -0.51 1.83 -0.40 3.87 0.00 -0.58 0.21 119.26 123.69 3bxx h ALA 173 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3bxx h ALA 173 Cb 0.66 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3bxx h ALA 173 CO 0.14 -0.18 -0.32 0.00 0.00 0.00 0.00 179.25 178.89 3bxx h ALA 174 N 1.63 -0.17 -0.25 0.00 0.00 -0.94 -2.48 119.26 117.05 3bxx h ALA 174 Ca 0.55 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.37 3bxx h ALA 174 Cb 0.99 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3bxx h ALA 174 CO -0.32 -0.72 -0.59 -1.49 0.00 0.00 0.00 179.25 176.13 3bxx h TRP 175 N -0.25 1.08 -0.72 0.00 4.06 0.15 -0.46 115.95 119.81 3bxx h TRP 175 Ca 0.17 -0.41 0.01 0.00 2.06 0.00 0.00 58.89 60.72 3bxx h TRP 175 Cb 0.54 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 3bxx h TRP 175 CO -0.53 1.24 0.47 -0.22 -3.56 0.00 0.00 178.44 175.84 3bxx h LYS 176 N 0.61 0.95 0.20 0.49 3.64 -1.25 0.39 116.57 121.60 3bxx h LYS 176 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3bxx h LYS 176 Cb 1.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3bxx h LYS 176 CO 0.13 0.63 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.92 3bxx h TYR 177 N 0.97 -0.25 -0.60 1.91 5.03 -1.26 -2.43 116.97 120.34 3bxx h TYR 177 Ca 0.26 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.69 3bxx h TYR 177 Cb -0.11 0.08 -0.12 0.00 1.55 0.00 0.00 36.73 38.14 3bxx h TYR 177 CO 0.00 0.02 -0.18 0.00 -1.32 0.00 0.00 178.16 176.68 3bxx h ALA 178 N -0.78 0.34 0.33 1.82 0.00 -0.90 0.21 119.26 120.28 3bxx h ALA 178 Ca -0.03 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bxx h ALA 178 Cb 0.38 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3bxx h ALA 178 CO 0.05 -0.46 -0.32 -0.22 0.00 0.00 0.00 179.25 178.29 3bxx h LYS 179 N -0.03 -0.65 -0.14 0.00 1.63 -0.32 -0.44 116.57 116.63 3bxx h LYS 179 Ca 0.28 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.17 3bxx h LYS 179 Cb 0.46 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.18 3bxx h LYS 179 CO -0.63 -0.43 -0.40 0.93 -3.45 0.00 0.00 179.45 175.46 3bxx h GLU 180 N -0.68 -0.45 -0.63 1.90 5.08 -0.67 -2.65 114.58 116.48 3bxx h GLU 180 Ca -0.02 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3bxx h GLU 180 Cb 0.61 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3bxx h GLU 180 CO -0.06 -0.30 0.00 0.09 -1.00 0.00 0.00 179.01 177.75 3bxx n ASN 181 N -5.43 2.77 -3.36 1.42 3.02 -0.07 -4.92 115.26 108.68 3bxx n ASN 181 Ca -0.04 -2.28 -0.20 0.00 -0.03 0.00 0.00 54.58 52.04 3bxx n ASN 181 Cb 0.35 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3bxx n ASN 181 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bxx n ASN 182 N 0.40 -1.98 -4.75 6.41 5.15 -0.23 -4.98 115.26 115.27 3bxx n ASN 182 Ca 0.13 -0.28 -0.41 0.00 -0.60 0.00 0.00 54.58 53.42 3bxx n ASN 182 Cb 0.55 -1.74 -0.03 0.00 -0.53 0.00 0.00 39.78 38.03 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3bxx s ILE 183 N -2.64 3.12 -0.58 -1.44 1.01 -0.83 -4.98 121.20 114.86 3bxx s ILE 183 Ca 0.36 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 61.76 3bxx s ILE 183 Cb -0.21 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.62 3bxx s ILE 183 CO 0.45 0.20 1.38 -0.62 0.00 0.00 0.00 174.94 176.35 3bxx s ASP 184 N -0.20 6.17 -0.05 3.58 -1.08 -1.26 -4.76 116.67 119.06 3bxx s ASP 184 Ca 0.51 0.21 0.06 0.00 -0.52 0.00 0.00 52.55 52.81 3bxx s ASP 184 Cb -0.36 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.54 3bxx s ASP 184 CO 0.44 -1.69 -0.24 0.12 0.52 0.00 0.00 175.17 174.32 3bxx s PHE 185 N 5.91 2.30 -0.03 -5.34 5.36 -1.26 -0.98 117.98 123.94 3bxx s PHE 185 Ca 0.50 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 3bxx s PHE 185 Cb -0.10 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 3bxx s PHE 185 CO 0.24 -0.20 -0.01 0.42 -1.46 0.00 0.00 175.22 174.21 3bxx s ILE 186 N -0.14 0.27 -0.05 3.12 -1.09 -0.65 -4.12 121.20 118.53 3bxx s ILE 186 Ca -0.03 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.46 3bxx s ILE 186 Cb -0.13 -0.33 -0.01 0.00 -1.58 0.00 0.00 42.46 40.41 3bxx s ILE 186 CO 0.03 0.15 -0.25 0.42 -1.23 0.00 0.00 174.94 174.07 3bxx s THR 187 N 0.84 2.10 -0.06 2.92 -4.23 -1.20 -1.48 115.64 114.53 3bxx s THR 187 Ca -0.09 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3bxx s THR 187 Cb -0.12 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 3bxx s THR 187 CO -0.01 0.57 -0.01 -0.63 -0.54 0.00 0.00 174.62 174.00 3bxx s ILE 188 N -0.26 4.16 -0.35 2.99 1.01 -0.30 -2.09 121.20 126.35 3bxx s ILE 188 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3bxx s ILE 188 Cb -0.13 -2.77 0.08 0.00 0.01 0.00 0.00 42.46 39.65 3bxx s ILE 188 CO 0.03 0.54 0.10 -0.63 0.00 0.00 0.00 174.94 174.98 3bxx s ILE 189 N -0.93 3.17 0.69 2.92 1.01 0.73 -0.82 121.20 127.97 3bxx s ILE 189 Ca 0.15 -1.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 3bxx s ILE 189 Cb -0.11 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.39 3bxx s ILE 189 CO 0.04 -0.40 1.02 -2.16 0.00 0.00 0.00 174.94 173.45 3bxx s PRO 190 N 1.20 2.52 0.00 2.79 0.05 -1.26 -0.08 135.00 140.22 3bxx s PRO 190 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 61.00 61.10 3bxx s PRO 190 Cb -0.21 -2.13 0.00 0.00 0.05 0.00 0.00 34.50 32.21 3bxx s PRO 190 CO -0.02 -1.09 0.00 0.25 0.05 0.00 0.00 177.00 176.19 3bxx n THR 191 N -2.90 0.00 -2.10 1.26 -2.24 -1.26 -2.28 114.28 104.75 3bxx n THR 191 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3bxx n THR 191 Cb 0.59 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3bxx n THR 191 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bxx s LEU 192 N 0.00 3.49 -0.36 3.22 2.96 0.09 -4.70 118.68 123.38 3bxx s LEU 192 Ca 0.00 1.02 -0.26 0.00 -0.22 0.00 0.00 54.13 54.67 3bxx s LEU 192 Cb 0.00 -3.38 0.01 0.00 0.50 0.00 0.00 46.19 43.33 3bxx s LEU 192 CO 0.00 -1.73 0.93 -0.69 -1.32 0.00 0.00 176.35 173.55 3bxx s VAL 193 N 6.78 4.58 0.19 1.68 1.01 -1.26 -1.82 120.40 131.56 3bxx s VAL 193 Ca 0.73 1.23 0.09 0.00 0.00 0.00 0.00 61.98 64.02 3bxx s VAL 193 Cb -0.19 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3bxx s VAL 193 CO 0.31 -0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.01 3bxx s VAL 194 N 3.48 1.93 -5.00 2.92 1.01 -0.08 -4.70 120.40 119.96 3bxx s VAL 194 Ca 0.38 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.31 3bxx s VAL 194 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3bxx s VAL 194 CO 0.18 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.52 3bxx n GLY 195 N 0.03 -0.13 4.03 4.51 0.00 -1.22 -1.54 105.19 110.88 3bxx n GLY 195 Ca -0.11 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 3bxx n GLY 195 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bxx s PRO 196 N -2.00 2.10 0.20 1.61 0.04 -1.25 0.11 135.00 135.81 3bxx s PRO 196 Ca 0.00 -1.63 -0.21 0.00 0.04 0.00 0.00 61.00 59.20 3bxx s PRO 196 Cb 0.00 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 32.01 3bxx s PRO 196 CO 0.00 -1.06 0.61 -0.59 0.04 0.00 0.00 177.00 176.00 3bxx s PHE 197 N -2.80 -0.34 -1.39 0.56 -0.71 -1.26 -4.90 117.98 107.14 3bxx s PHE 197 Ca 0.64 0.03 0.12 0.00 -1.04 0.00 0.00 56.93 56.67 3bxx s PHE 197 Cb -0.05 0.55 0.12 0.00 -1.21 0.00 0.00 43.02 42.43 3bxx s PHE 197 CO 0.41 -0.96 0.93 0.44 -1.34 0.00 0.00 175.22 174.69 3bxx n ILE 198 N -0.39 0.14 -2.66 -4.49 -5.35 -1.26 -5.02 119.36 100.33 3bxx n ILE 198 Ca -0.12 -0.57 -0.24 0.00 -0.27 0.00 0.00 62.75 61.55 3bxx n ILE 198 Cb 0.63 1.14 0.02 0.00 -1.74 0.00 0.00 39.64 39.69 3bxx n ILE 198 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bxx s MET 199 N -0.98 2.92 0.22 6.28 0.23 -1.26 -4.74 119.30 121.97 3bxx s MET 199 Ca 0.15 -0.29 0.10 0.00 -1.03 0.00 0.00 55.69 54.62 3bxx s MET 199 Cb 0.10 -2.41 0.10 0.00 -1.53 0.00 0.00 34.83 31.09 3bxx s MET 199 CO 0.15 -0.54 1.45 0.66 -2.03 0.00 0.00 175.02 174.71 3bxx h SER 200 N 0.07 0.00 -1.82 -1.18 4.64 -1.96 -3.48 113.55 109.83 3bxx h SER 200 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bxx h SER 200 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3bxx h SER 200 CO 0.58 0.75 0.00 -1.54 -0.87 0.00 0.00 176.83 175.76 3bxx n SER 201 N -3.50 1.74 -4.63 4.97 3.41 -1.26 -5.06 113.62 109.29 3bxx n SER 201 Ca -0.00 -0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 57.86 3bxx n SER 201 Cb 0.77 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 3bxx n SER 201 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3bxx s MET 202 N 0.14 4.13 0.21 4.33 1.75 -1.26 -5.02 119.30 123.57 3bxx s MET 202 Ca 0.00 0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 54.81 3bxx s MET 202 Cb 0.00 -3.65 -0.08 0.00 2.84 0.00 0.00 34.83 33.94 3bxx s MET 202 CO 0.00 -0.44 1.21 -2.14 -0.65 0.00 0.00 175.02 173.00 3bxx s PRO 203 N 2.60 4.48 0.36 4.11 0.02 -1.26 -4.87 135.00 140.45 3bxx s PRO 203 Ca 0.29 1.91 0.16 0.00 0.02 0.00 0.00 61.00 63.38 3bxx s PRO 203 Cb -0.15 -3.22 1.05 0.00 0.02 0.00 0.00 34.50 32.20 3bxx s PRO 203 CO 0.08 -0.09 1.73 -1.35 -0.33 0.00 0.00 177.00 177.04 3bxx h PRO 204 N 5.00 0.41 0.00 5.54 0.11 -2.00 -0.67 132.00 140.39 3bxx h PRO 204 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3bxx h PRO 204 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3bxx h PRO 204 CO 0.74 0.27 -0.46 0.66 -0.21 0.00 0.00 178.00 179.00 3bxx h SER 205 N 0.43 0.00 1.10 -2.05 4.64 -1.89 -2.44 113.55 113.34 3bxx h SER 205 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3bxx h SER 205 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3bxx h SER 205 CO -0.42 0.46 0.00 -0.07 -0.87 0.00 0.00 176.83 175.93 3bxx h LEU 206 N 0.00 0.00 -0.50 5.97 3.38 -1.40 -0.07 115.31 122.69 3bxx h LEU 206 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3bxx h LEU 206 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3bxx h LEU 206 CO 0.06 0.00 0.11 0.40 0.09 0.00 0.00 178.44 179.10 3bxx h ILE 207 N 0.00 1.24 0.17 1.22 2.04 -1.35 -0.65 117.51 120.18 3bxx h ILE 207 Ca 0.00 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3bxx h ILE 207 Cb 0.55 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3bxx h ILE 207 CO 0.00 0.32 -0.08 0.74 0.00 0.00 0.00 178.15 179.12 3bxx h THR 208 N 0.70 0.94 -0.79 -0.27 2.02 -1.55 -3.22 112.91 110.75 3bxx h THR 208 Ca 0.16 -0.94 0.08 0.00 0.77 0.00 0.00 66.41 66.47 3bxx h THR 208 Cb 0.35 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3bxx h THR 208 CO 0.00 0.20 0.45 0.00 0.37 0.00 0.00 175.52 176.55 3bxx h ALA 209 N -0.04 1.09 -0.34 6.16 0.00 -0.98 -2.12 119.26 123.03 3bxx h ALA 209 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bxx h ALA 209 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bxx h ALA 209 CO 0.04 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3bxx n LEU 210 N -4.73 2.89 -0.11 0.00 4.77 -0.26 -4.34 117.00 115.22 3bxx n LEU 210 Ca 0.12 -1.46 -0.05 0.00 -0.03 0.00 0.00 56.01 54.58 3bxx n LEU 210 Cb 0.23 -0.45 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3bxx n LEU 210 CO 0.28 0.48 0.83 0.77 -1.33 0.00 0.00 177.39 178.43 3bxx h SER 211 N 2.18 0.78 -0.06 -1.43 4.64 -1.38 -1.82 113.55 116.46 3bxx h SER 211 Ca 0.00 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3bxx h SER 211 Cb 0.95 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3bxx h SER 211 CO 0.15 0.88 0.06 -0.65 -0.87 0.00 0.00 176.83 176.40 3bxx h PRO 212 N 0.74 0.00 0.03 4.77 0.11 -1.81 0.52 132.00 136.36 3bxx h PRO 212 Ca 0.13 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.04 3bxx h PRO 212 Cb 0.53 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.66 3bxx h PRO 212 CO 0.03 0.00 -0.82 0.82 -0.21 0.00 0.00 178.00 177.82 3bxx h ILE 213 N 0.00 1.38 0.00 4.15 2.04 -1.69 -3.37 117.51 120.02 3bxx h ILE 213 Ca 0.03 -2.21 -0.11 0.00 1.00 0.00 0.00 64.86 63.57 3bxx h ILE 213 Cb 0.15 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3bxx h ILE 213 CO -0.00 0.66 -0.82 0.71 0.00 0.00 0.00 178.15 178.70 3bxx h THR 214 N 0.05 0.59 -0.31 -0.27 1.35 -0.57 -3.47 112.91 110.27 3bxx h THR 214 Ca -0.11 -1.93 -0.07 0.00 -0.55 0.00 0.00 66.41 63.75 3bxx h THR 214 Cb 1.52 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 70.09 3bxx h THR 214 CO 0.16 0.34 -0.08 0.61 -0.25 0.00 0.00 175.52 176.30 3bxx n GLY 215 N 1.27 0.46 3.28 5.82 0.00 0.17 -4.94 105.19 111.25 3bxx n GLY 215 Ca -0.02 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3bxx n GLY 215 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bxx n ASN 216 N 1.39 4.43 0.25 1.61 2.85 -1.21 -4.82 115.26 119.75 3bxx n ASN 216 Ca -0.04 -2.88 0.12 0.00 -0.11 0.00 0.00 54.58 51.68 3bxx n ASN 216 Cb 0.30 -1.70 0.75 0.00 1.24 0.00 0.00 39.78 40.37 3bxx n ASN 216 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3bxx h GLU 217 N 7.15 0.00 -0.06 1.20 5.08 -1.92 -0.50 114.58 125.54 3bxx h GLU 217 Ca 0.48 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 3bxx h GLU 217 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3bxx h GLU 217 CO 1.61 0.00 0.08 0.00 -1.00 0.00 0.00 179.01 179.69 3bxx h ALA 218 N 1.96 1.51 -0.08 3.43 0.00 -2.01 -0.86 119.26 123.21 3bxx h ALA 218 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bxx h ALA 218 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bxx h ALA 218 CO -0.00 -0.11 0.00 0.72 0.00 0.00 0.00 179.25 179.86 3bxx n HIS 219 N -3.66 0.09 -0.11 0.00 8.25 -0.19 -4.28 115.22 115.33 3bxx n HIS 219 Ca -0.02 -0.05 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 3bxx n HIS 219 Cb 0.17 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 3bxx n HIS 219 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3bxx h TYR 220 N 1.64 0.47 -1.09 4.41 -1.99 -1.27 -3.13 116.97 116.01 3bxx h TYR 220 Ca 0.00 -0.01 0.30 0.00 2.00 0.00 0.00 58.73 61.02 3bxx h TYR 220 Cb 0.36 -0.15 -0.08 0.00 2.00 0.00 0.00 36.73 38.86 3bxx h TYR 220 CO 0.05 0.37 0.73 0.66 -0.00 0.00 0.00 178.16 179.97 3bxx h SER 221 N 0.43 0.29 1.12 3.88 4.64 -1.79 0.94 113.55 123.06 3bxx h SER 221 Ca 0.12 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 3bxx h SER 221 Cb 0.06 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3bxx h SER 221 CO -0.02 0.04 -0.77 0.40 -0.87 0.00 0.00 176.83 175.61 3bxx h ILE 222 N 0.24 1.37 -0.48 0.95 2.04 -1.85 -3.27 117.51 116.51 3bxx h ILE 222 Ca 0.59 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.63 3bxx h ILE 222 Cb 1.80 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 3bxx h ILE 222 CO -0.21 0.76 0.00 2.30 0.00 0.00 0.00 178.15 181.00 3bxx n ILE 223 N -3.36 0.92 0.40 -0.67 -5.35 -0.73 -4.35 119.36 106.22 3bxx n ILE 223 Ca 0.01 -0.96 -0.19 0.00 -0.27 0.00 0.00 62.75 61.33 3bxx n ILE 223 Cb 0.82 0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 39.20 3bxx n ILE 223 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3bxx h ARG 224 N 3.06 -1.11 -3.59 6.28 2.43 -0.90 -2.97 114.38 117.57 3bxx h ARG 224 Ca 0.00 0.08 -0.75 0.00 -0.81 0.00 0.00 59.98 58.50 3bxx h ARG 224 Cb 0.83 0.25 -0.31 0.00 -0.42 0.00 0.00 29.97 30.33 3bxx h ARG 224 CO 0.00 -0.74 0.02 -0.65 -1.51 0.00 0.00 179.97 177.09 3bxx s GLN 225 N -5.93 3.41 0.21 0.20 -0.21 -1.26 0.17 119.66 116.26 3bxx s GLN 225 Ca -0.19 -2.84 -0.14 0.00 0.02 0.00 0.00 55.36 52.21 3bxx s GLN 225 Cb 0.03 -4.18 -0.08 0.00 1.00 0.00 0.00 33.01 29.79 3bxx s GLN 225 CO 0.60 -1.25 0.61 0.20 -2.12 0.00 0.00 175.29 173.34 3bxx s GLY 226 N 1.07 2.41 0.05 3.09 0.00 -0.25 -4.75 107.32 108.94 3bxx s GLY 226 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.91 3bxx s GLY 226 CO -0.08 0.14 -0.16 1.20 0.00 0.00 0.00 173.10 174.19 3bxx s GLN 227 N -2.41 1.04 0.12 2.90 1.11 -1.26 -0.87 119.66 120.30 3bxx s GLN 227 Ca 0.44 -0.89 -0.05 0.00 0.01 0.00 0.00 55.36 54.88 3bxx s GLN 227 Cb -0.13 -1.10 -0.02 0.00 -1.01 0.00 0.00 33.01 30.74 3bxx s GLN 227 CO 0.20 0.27 0.15 -0.06 0.01 0.00 0.00 175.29 175.86 3bxx s PHE 228 N -0.95 0.51 -0.04 0.91 0.40 -0.74 -0.73 117.98 117.34 3bxx s PHE 228 Ca 0.03 -0.92 -0.27 0.00 -0.60 0.00 0.00 56.93 55.17 3bxx s PHE 228 Cb -0.09 -0.23 0.06 0.00 0.51 0.00 0.00 43.02 43.27 3bxx s PHE 228 CO 0.02 -0.58 0.58 0.54 0.70 0.00 0.00 175.22 176.48 3bxx s VAL 229 N -3.97 0.02 0.17 -0.44 0.11 -0.75 -1.58 120.40 113.95 3bxx s VAL 229 Ca 0.16 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 3bxx s VAL 229 Cb 0.06 -0.90 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 3bxx s VAL 229 CO -0.03 -0.07 0.47 -2.28 -3.33 0.00 0.00 175.10 169.86 3bxx s HIS 230 N -1.22 3.48 0.06 1.54 2.46 -1.26 -0.90 115.29 119.45 3bxx s HIS 230 Ca -0.12 0.78 -0.29 0.00 0.47 0.00 0.00 55.06 55.90 3bxx s HIS 230 Cb -0.01 -2.18 -0.18 0.00 -0.13 0.00 0.00 32.58 30.08 3bxx s HIS 230 CO 0.08 0.38 1.55 1.25 -2.47 0.00 0.00 174.74 175.53 3bxx h LEU 231 N 2.93 -0.56 -0.87 8.88 5.85 -1.63 -2.44 115.31 127.48 3bxx h LEU 231 Ca -0.47 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.36 3bxx h LEU 231 Cb 1.17 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 3bxx h LEU 231 CO 0.69 -0.34 0.48 -0.78 -0.34 0.00 0.00 178.44 178.16 3bxx h ASP 232 N -0.74 0.64 -0.45 1.25 1.82 -1.93 0.29 116.42 117.30 3bxx h ASP 232 Ca -0.07 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 3bxx h ASP 232 Cb 0.54 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 3bxx h ASP 232 CO 0.11 0.31 0.28 0.44 -1.61 0.00 0.00 179.24 178.77 3bxx h ASP 233 N 0.73 0.47 -0.64 2.28 3.32 -1.94 -1.81 116.42 118.82 3bxx h ASP 233 Ca 0.46 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.57 3bxx h ASP 233 Cb 0.56 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 3bxx h ASP 233 CO -0.32 0.34 0.33 0.25 -1.72 0.00 0.00 179.24 178.12 3bxx h LEU 234 N 0.57 0.45 -0.05 1.55 5.85 -0.07 1.61 115.31 125.23 3bxx h LEU 234 Ca 0.17 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3bxx h LEU 234 Cb -0.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3bxx h LEU 234 CO -0.06 0.29 -0.14 0.00 -0.34 0.00 0.00 178.44 178.19 3bxx h ASN 236 N -0.37 0.83 -0.46 0.00 -0.26 -0.97 -0.04 115.58 114.32 3bxx h ASN 236 Ca -0.00 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3bxx h ASN 236 Cb 0.76 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 3bxx h ASN 236 CO 0.03 0.43 0.30 0.00 -1.06 0.00 0.00 177.43 177.13 3bxx h ALA 237 N 1.56 1.64 -0.29 -0.83 0.00 0.25 -2.74 119.26 118.85 3bxx h ALA 237 Ca 0.48 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.18 3bxx h ALA 237 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3bxx h ALA 237 CO -0.24 0.32 -0.48 0.45 0.00 0.00 0.00 179.25 179.30 3bxx h HIS 238 N 0.64 0.97 -0.48 0.00 3.86 -0.62 -1.75 115.15 117.78 3bxx h HIS 238 Ca 0.17 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3bxx h HIS 238 Cb -0.05 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 3bxx h HIS 238 CO 0.00 1.11 0.31 0.82 0.86 0.00 0.00 177.93 181.03 3bxx h ILE 239 N 0.63 1.14 0.80 2.45 2.04 -1.48 -2.45 117.51 120.64 3bxx h ILE 239 Ca 0.03 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3bxx h ILE 239 Cb 1.05 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3bxx h ILE 239 CO 0.10 0.13 -0.38 0.22 0.00 0.00 0.00 178.15 178.22 3bxx h TYR 240 N 0.65 -1.00 0.00 1.37 3.20 -1.32 0.31 116.97 120.19 3bxx h TYR 240 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3bxx h TYR 240 Cb -0.05 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3bxx h TYR 240 CO -0.04 -0.62 0.04 -0.07 -1.64 0.00 0.00 178.16 175.84 3bxx h LEU 241 N -1.10 0.00 0.16 2.82 3.38 -1.33 0.12 115.31 119.36 3bxx h LEU 241 Ca -0.11 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 3bxx h LEU 241 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.59 3bxx h LEU 241 CO 0.18 0.00 -1.25 0.15 0.09 0.00 0.00 178.44 177.61 3bxx h PHE 242 N 0.00 0.61 0.00 1.13 3.57 -0.82 -3.38 116.94 118.05 3bxx h PHE 242 Ca 0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3bxx h PHE 242 Cb 0.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3bxx h PHE 242 CO 0.00 1.48 -0.24 0.39 -2.23 0.00 0.00 178.31 177.72 3bxx n GLU 243 N -3.92 0.07 -2.96 1.11 1.02 0.13 -4.80 120.64 111.28 3bxx n GLU 243 Ca -0.20 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 3bxx n GLU 243 Cb 0.93 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.74 3bxx n GLU 243 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bxx s ASN 244 N -3.34 6.66 0.39 1.62 3.84 0.19 -4.93 114.94 119.37 3bxx s ASN 244 Ca 0.12 0.68 0.14 0.00 0.21 0.00 0.00 52.86 54.01 3bxx s ASN 244 Cb 0.17 -2.40 0.80 0.00 -0.55 0.00 0.00 41.25 39.27 3bxx s ASN 244 CO 0.62 -0.58 1.86 -0.65 -2.79 0.00 0.00 177.10 175.55 3bxx h PRO 245 N 8.07 0.00 0.00 0.43 0.11 -1.90 -3.26 132.00 135.45 3bxx h PRO 245 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3bxx h PRO 245 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bxx h PRO 245 CO 0.87 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 180.62 3bxx n LYS 246 N -4.10 0.04 -2.48 1.05 4.76 -1.26 -4.88 118.16 111.29 3bxx n LYS 246 Ca -0.02 0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 3bxx n LYS 246 Cb 0.38 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 3bxx n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bxx s ALA 247 N -2.94 3.36 0.15 7.82 0.00 -1.23 -5.06 121.76 123.86 3bxx s ALA 247 Ca 0.10 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3bxx s ALA 247 Cb 0.12 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3bxx s ALA 247 CO 0.32 -0.34 -0.06 -1.83 0.00 0.00 0.00 175.76 173.85 3bxx s GLU 248 N 0.56 1.04 5.56 0.00 4.04 -1.26 -5.01 118.70 123.63 3bxx s GLU 248 Ca 0.55 -1.46 0.00 0.00 0.04 0.00 0.00 54.97 54.10 3bxx s GLU 248 Cb -0.29 -0.42 0.00 0.00 0.02 0.00 0.00 34.13 33.44 3bxx s GLU 248 CO 0.31 -0.02 0.00 0.41 -1.84 0.00 0.00 175.26 174.12 3bxx n GLY 249 N -0.19 2.85 3.97 -3.83 0.00 -1.26 -4.85 105.19 101.88 3bxx n GLY 249 Ca -0.09 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 3bxx n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bxx s ARG 250 N 0.00 3.31 -0.24 1.61 0.52 -1.26 -3.27 118.95 119.62 3bxx s ARG 250 Ca 0.00 -0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 3bxx s ARG 250 Cb 0.00 -2.85 0.13 0.00 0.52 0.00 0.00 34.95 32.75 3bxx s ARG 250 CO 0.00 0.30 0.37 0.71 0.02 0.00 0.00 175.30 176.70 3bxx s TYR 251 N -2.06 -0.81 0.27 -0.53 1.51 -0.89 -4.95 117.35 109.89 3bxx s TYR 251 Ca 0.38 0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 56.94 3bxx s TYR 251 Cb -0.09 -0.00 -0.09 0.00 -0.11 0.00 0.00 41.96 41.66 3bxx s TYR 251 CO 0.30 -0.73 1.23 0.42 -1.11 0.00 0.00 175.55 175.66 3bxx s ILE 252 N 2.54 3.15 -0.42 2.71 1.01 -1.26 -0.19 121.20 128.73 3bxx s ILE 252 Ca 0.12 1.08 0.10 0.00 0.00 0.00 0.00 60.65 61.96 3bxx s ILE 252 Cb -0.15 -3.69 0.36 0.00 0.01 0.00 0.00 42.46 38.98 3bxx s ILE 252 CO -0.16 0.23 0.82 0.00 0.00 0.00 0.00 174.94 175.82 3bxx s SER 254 N -2.79 4.60 0.00 0.00 0.15 -1.26 -4.33 113.70 110.07 3bxx s SER 254 Ca 0.42 -0.18 0.19 0.00 0.70 0.00 0.00 55.95 57.08 3bxx s SER 254 Cb 0.34 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 3bxx s SER 254 CO -0.09 0.17 0.93 -1.54 1.20 0.00 0.00 173.24 173.91 3bxx n SER 255 N 3.51 1.62 -3.64 5.45 3.41 -0.62 -4.31 113.62 119.04 3bxx n SER 255 Ca -0.18 -1.31 -0.14 0.00 -0.26 0.00 0.00 58.87 56.99 3bxx n SER 255 Cb 0.53 0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 3bxx n SER 255 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3bxx s HIS 256 N -2.32 -0.34 -0.15 7.33 3.76 -1.11 -4.96 115.29 117.50 3bxx s HIS 256 Ca 0.14 0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 55.36 3bxx s HIS 256 Cb 0.15 0.25 0.05 0.00 1.11 0.00 0.00 32.58 34.15 3bxx s HIS 256 CO 0.55 -0.57 0.37 0.16 -0.85 0.00 0.00 174.74 174.40 3bxx s ASP 257 N -1.79 -0.43 0.15 1.40 -4.77 -1.26 -1.79 116.67 108.17 3bxx s ASP 257 Ca -0.07 0.78 -0.24 0.00 -3.30 0.00 0.00 52.55 49.71 3bxx s ASP 257 Cb -0.01 0.69 0.06 0.00 -1.09 0.00 0.00 42.92 42.57 3bxx s ASP 257 CO 0.00 -0.17 0.81 0.00 0.70 0.00 0.00 175.17 176.51 3bxx s ILE 259 N -3.50 4.65 0.32 0.00 -4.36 -1.26 -1.09 121.20 115.96 3bxx s ILE 259 Ca 0.08 0.52 0.05 0.00 -0.26 0.00 0.00 60.65 61.04 3bxx s ILE 259 Cb -0.02 -3.82 0.30 0.00 1.25 0.00 0.00 42.46 40.17 3bxx s ILE 259 CO -0.02 -0.95 1.87 -0.29 0.24 0.00 0.00 174.94 175.79 3bxx h ILE 260 N -0.11 0.91 -0.73 8.37 2.10 0.19 -2.15 117.51 126.10 3bxx h ILE 260 Ca -0.45 -0.29 0.02 0.00 1.08 0.00 0.00 64.86 65.22 3bxx h ILE 260 Cb 1.20 -0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 36.89 3bxx h ILE 260 CO 0.62 0.15 0.47 -0.07 -1.08 0.00 0.00 178.15 178.24 3bxx h LEU 261 N 0.85 0.79 0.31 2.19 4.07 -1.90 -0.63 115.31 120.98 3bxx h LEU 261 Ca 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.38 3bxx h LEU 261 Cb 0.53 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3bxx h LEU 261 CO -0.21 0.56 -0.15 0.44 -1.08 0.00 0.00 178.44 178.00 3bxx h ASP 262 N 0.93 -0.35 -0.74 -0.43 3.32 -1.77 0.69 116.42 118.07 3bxx h ASP 262 Ca 0.28 -0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.38 3bxx h ASP 262 Cb -0.04 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.50 3bxx h ASP 262 CO -0.09 -0.10 0.26 0.25 -1.72 0.00 0.00 179.24 177.84 3bxx h LEU 263 N -0.59 0.18 0.49 1.55 5.85 -1.40 0.14 115.31 121.53 3bxx h LEU 263 Ca -0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3bxx h LEU 263 Cb 0.43 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3bxx h LEU 263 CO 0.07 0.05 -0.23 0.00 -0.34 0.00 0.00 178.44 177.98 3bxx h ALA 264 N 1.57 -0.66 -0.48 1.25 0.00 -0.81 -2.09 119.26 118.05 3bxx h ALA 264 Ca 0.41 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3bxx h ALA 264 Cb 0.66 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 3bxx h ALA 264 CO -0.44 -0.86 -0.16 -0.22 0.00 0.00 0.00 179.25 177.57 3bxx h LYS 265 N -0.68 -0.05 -0.35 0.00 3.64 0.16 0.21 116.57 119.50 3bxx h LYS 265 Ca -0.07 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3bxx h LYS 265 Cb 0.51 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 3bxx h LYS 265 CO 0.11 -0.03 -0.11 1.98 -2.27 0.00 0.00 179.45 179.13 3bxx h MET 266 N -0.05 -0.04 -0.23 1.90 4.05 -0.73 -2.73 114.93 117.11 3bxx h MET 266 Ca 0.23 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.57 3bxx h MET 266 Cb 0.40 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3bxx h MET 266 CO -0.52 -0.02 -0.23 -0.07 0.23 0.00 0.00 176.91 176.30 3bxx h LEU 267 N -0.04 0.42 -0.40 3.39 3.38 0.06 -2.91 115.31 119.21 3bxx h LEU 267 Ca 0.17 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3bxx h LEU 267 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3bxx h LEU 267 CO -0.38 0.65 -0.10 -0.09 0.09 0.00 0.00 178.44 178.61 3bxx h ARG 268 N 0.38 0.77 -0.29 1.13 2.43 -0.80 -0.23 114.38 117.76 3bxx h ARG 268 Ca 0.06 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3bxx h ARG 268 Cb 0.61 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3bxx h ARG 268 CO 0.04 0.90 -0.03 0.93 -1.51 0.00 0.00 179.97 180.30 3bxx h GLU 269 N 0.58 0.46 0.03 0.20 5.08 -1.41 -3.00 114.58 116.52 3bxx h GLU 269 Ca 0.10 -0.10 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3bxx h GLU 269 Cb 0.62 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3bxx h GLU 269 CO 0.04 0.51 -1.52 -0.22 -1.00 0.00 0.00 179.01 176.83 3bxx h LYS 270 N 0.44 0.07 -2.39 2.33 3.64 -1.31 -3.40 116.57 115.95 3bxx h LYS 270 Ca 0.09 -0.12 -0.60 0.00 -1.27 0.00 0.00 60.65 58.76 3bxx h LYS 270 Cb 0.34 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 31.80 3bxx h LYS 270 CO 0.01 0.79 -0.74 0.66 -2.27 0.00 0.00 179.45 177.90 3bxx n TYR 271 N -3.23 2.18 0.15 1.91 4.01 -0.12 -4.94 117.16 117.12 3bxx n TYR 271 Ca -0.14 -3.97 0.18 0.00 -0.16 0.00 0.00 57.90 53.81 3bxx n TYR 271 Cb 1.02 -0.43 0.78 0.00 -0.31 0.00 0.00 39.34 40.39 3bxx n TYR 271 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3bxx h PRO 272 N 4.60 0.00 0.00 -0.72 0.13 -1.76 -2.30 132.00 131.96 3bxx h PRO 272 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3bxx h PRO 272 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3bxx h PRO 272 CO 0.68 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.50 3bxx h GLU 273 N 0.00 0.00 -5.70 0.86 9.09 -1.92 -3.40 114.58 113.51 3bxx h GLU 273 Ca 0.13 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.96 3bxx h GLU 273 Cb 0.66 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.67 3bxx h GLU 273 CO -0.00 0.00 -0.09 0.71 0.05 0.00 0.00 179.01 179.68 3bxx s TYR 274 N -3.49 3.48 -1.19 2.06 2.02 -0.87 -1.06 117.35 118.29 3bxx s TYR 274 Ca 0.02 0.88 -0.16 0.00 -0.37 0.00 0.00 57.07 57.44 3bxx s TYR 274 Cb 0.09 -2.60 0.13 0.00 -0.40 0.00 0.00 41.96 39.17 3bxx s TYR 274 CO 0.39 0.08 1.50 0.54 -1.57 0.00 0.00 175.55 176.50 3bxx s ASN 275 N 0.79 6.91 -0.24 2.29 6.03 -1.26 -4.96 114.94 124.49 3bxx s ASN 275 Ca 0.26 -2.61 -0.17 0.00 -1.03 0.00 0.00 52.86 49.32 3bxx s ASN 275 Cb -0.15 -2.47 -0.03 0.00 -3.03 0.00 0.00 41.25 35.56 3bxx s ASN 275 CO 0.11 -0.97 0.46 -0.63 -2.03 0.00 0.00 177.10 174.03 3bxx s ILE 276 N 2.79 5.13 0.43 0.54 1.01 -1.26 -4.96 121.20 124.88 3bxx s ILE 276 Ca 0.45 0.78 -0.26 0.00 0.00 0.00 0.00 60.65 61.62 3bxx s ILE 276 Cb -0.01 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3bxx s ILE 276 CO 0.01 0.15 1.44 -2.16 0.00 0.00 0.00 174.94 174.38 3bxx s PRO 277 N 1.96 3.78 0.00 2.79 0.04 -1.26 -4.89 135.00 137.42 3bxx s PRO 277 Ca 0.20 2.45 0.29 0.00 0.04 0.00 0.00 61.00 63.97 3bxx s PRO 277 Cb -0.15 -2.73 1.20 0.00 0.04 0.00 0.00 34.50 32.86 3bxx s PRO 277 CO 0.09 -0.75 1.83 0.25 0.04 0.00 0.00 177.00 178.46 3bxx n THR 278 N -0.04 0.00 -4.11 1.26 -2.24 -1.26 -4.88 114.28 103.01 3bxx n THR 278 Ca 0.04 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3bxx n THR 278 Cb 0.41 0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 3bxx n THR 278 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bxx s GLU 279 N -2.23 0.36 0.01 -0.78 0.41 -1.26 -5.05 118.70 110.16 3bxx s GLU 279 Ca 0.35 -0.19 0.03 0.00 -0.41 0.00 0.00 54.97 54.74 3bxx s GLU 279 Cb 0.21 -0.34 -0.01 0.00 -1.78 0.00 0.00 34.13 32.21 3bxx s GLU 279 CO 0.41 0.09 -0.09 -0.06 -0.49 0.00 0.00 175.26 175.13 3bxx s PHE 280 N -0.18 0.77 0.58 1.61 0.40 -1.26 -5.12 117.98 114.78 3bxx s PHE 280 Ca 0.01 -0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 55.94 3bxx s PHE 280 Cb -0.02 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 3bxx s PHE 280 CO -0.00 -0.02 1.11 0.21 0.70 0.00 0.00 175.22 177.22 3bxx s LYS 281 N -0.55 3.18 -0.12 0.44 2.20 -1.26 -2.93 119.74 120.70 3bxx s LYS 281 Ca 0.01 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 3bxx s LYS 281 Cb -0.05 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 3bxx s LYS 281 CO 0.00 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 3bxx n GLY 282 N -0.19 0.12 2.74 5.54 0.00 -1.26 -4.92 105.19 107.23 3bxx n GLY 282 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3bxx n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bxx s VAL 283 N -1.12 0.62 0.65 1.61 1.01 -1.15 -5.12 120.40 116.89 3bxx s VAL 283 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3bxx s VAL 283 Cb 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.31 3bxx s VAL 283 CO 0.00 -0.28 0.90 1.51 0.00 0.00 0.00 175.10 177.23 3bxx s ASP 284 N 1.80 4.72 0.06 3.32 1.47 -1.26 -4.58 116.67 122.20 3bxx s ASP 284 Ca 0.00 -0.38 0.21 0.00 1.18 0.00 0.00 52.55 53.56 3bxx s ASP 284 Cb -0.17 -0.16 0.87 0.00 -0.34 0.00 0.00 42.92 43.11 3bxx s ASP 284 CO -0.11 -1.58 1.66 -0.62 0.68 0.00 0.00 175.17 175.20 3bxx n GLU 285 N -2.59 0.06 -0.30 2.11 1.02 -1.26 -3.26 120.64 116.42 3bxx n GLU 285 Ca 0.13 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.51 3bxx n GLU 285 Cb 0.60 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 30.58 3bxx n GLU 285 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bxx n ASN 286 N -1.69 2.54 -4.49 1.62 3.02 -1.26 -4.82 115.26 110.17 3bxx n ASN 286 Ca 0.04 -2.29 -0.43 0.00 -0.03 0.00 0.00 54.58 51.87 3bxx n ASN 286 Cb 0.25 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 3bxx n ASN 286 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3bxx s LEU 287 N -1.00 4.76 0.23 3.41 2.96 -1.20 -5.02 118.68 122.82 3bxx s LEU 287 Ca 0.20 -0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 53.19 3bxx s LEU 287 Cb 0.14 -2.53 -0.14 0.00 0.50 0.00 0.00 46.19 44.16 3bxx s LEU 287 CO 0.07 -0.74 1.24 1.17 -1.32 0.00 0.00 176.35 176.77 3bxx n LYS 288 N 5.99 1.61 -2.29 1.98 0.00 -1.26 -4.87 118.16 119.32 3bxx n LYS 288 Ca -0.05 0.57 -0.39 0.00 0.00 0.00 0.00 58.31 58.44 3bxx n LYS 288 Cb 0.47 -2.11 -0.02 0.00 0.00 0.00 0.00 35.03 33.37 3bxx n LYS 288 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3bxx s SER 289 N -0.02 6.62 -0.21 3.14 0.15 -1.26 -4.94 113.70 117.18 3bxx s SER 289 Ca 0.67 2.38 -0.05 0.00 0.70 0.00 0.00 55.95 59.65 3bxx s SER 289 Cb -0.72 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 60.94 3bxx s SER 289 CO 0.53 -0.61 -0.00 -0.69 1.20 0.00 0.00 173.24 173.67 3bxx s VAL 290 N -1.36 3.87 -0.09 4.45 1.01 -1.26 -4.94 120.40 122.08 3bxx s VAL 290 Ca 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3bxx s VAL 290 Cb -0.32 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3bxx s VAL 290 CO 0.41 0.41 0.02 0.00 0.00 0.00 0.00 175.10 175.94 3bxx s PHE 292 N -0.92 3.23 -0.43 0.00 0.40 -1.26 -1.26 117.98 117.74 3bxx s PHE 292 Ca 0.14 0.17 -0.27 0.00 -0.60 0.00 0.00 56.93 56.37 3bxx s PHE 292 Cb -0.11 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.89 3bxx s PHE 292 CO 0.03 -0.28 1.03 0.45 0.70 0.00 0.00 175.22 177.15 3bxx s SER 293 N 1.70 6.64 -0.10 1.36 0.15 0.43 -4.72 113.70 119.17 3bxx s SER 293 Ca 0.12 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3bxx s SER 293 Cb -0.16 -2.50 0.14 0.00 -1.71 0.00 0.00 66.02 61.79 3bxx s SER 293 CO 0.11 -1.07 1.25 -1.20 1.20 0.00 0.00 173.24 173.53 3bxx n SER 294 N 7.32 3.34 -0.08 5.45 7.64 -1.26 -4.57 113.62 131.46 3bxx n SER 294 Ca 0.09 -2.38 -0.15 0.00 1.01 0.00 0.00 58.87 57.45 3bxx n SER 294 Cb 0.48 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 3bxx n SER 294 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3bxx h LYS 295 N 0.28 0.87 -0.53 1.43 3.64 -1.90 -2.10 116.57 118.27 3bxx h LYS 295 Ca 0.14 -0.55 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 3bxx h LYS 295 Cb 1.38 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 3bxx h LYS 295 CO 0.25 1.18 0.33 -0.22 -2.27 0.00 0.00 179.45 178.73 3bxx h LYS 296 N 0.67 0.65 0.02 1.90 3.64 -1.92 -2.42 116.57 119.10 3bxx h LYS 296 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3bxx h LYS 296 Cb 1.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3bxx h LYS 296 CO 0.12 0.43 -0.01 1.25 -2.27 0.00 0.00 179.45 178.97 3bxx h LEU 297 N 0.67 -0.02 -1.21 5.20 5.85 -1.82 -3.26 115.31 120.71 3bxx h LEU 297 Ca 0.21 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3bxx h LEU 297 Cb -0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3bxx h LEU 297 CO -0.07 0.22 0.33 0.71 -0.34 0.00 0.00 178.44 179.28 3bxx h THR 298 N -0.26 1.20 -0.66 1.05 1.35 -1.30 -1.80 112.91 112.49 3bxx h THR 298 Ca -0.00 -0.52 0.09 0.00 -0.55 0.00 0.00 66.41 65.43 3bxx h THR 298 Cb 0.25 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 3bxx h THR 298 CO 0.00 0.22 0.44 0.44 -0.25 0.00 0.00 175.52 176.38 3bxx h ASP 299 N 0.88 0.49 1.12 5.36 3.32 -1.53 -2.13 116.42 123.92 3bxx h ASP 299 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3bxx h ASP 299 Cb 0.05 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3bxx h ASP 299 CO -0.03 0.30 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.68 3bxx h LEU 300 N 0.54 0.00 0.00 1.55 3.38 -1.37 -3.46 115.31 115.96 3bxx h LEU 300 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3bxx h LEU 300 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3bxx h LEU 300 CO -0.10 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.08 3bxx n GLY 301 N 0.18 1.71 3.75 0.83 0.00 -0.80 -5.10 105.19 105.75 3bxx n GLY 301 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3bxx n GLY 301 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bxx s PHE 302 N -1.53 2.81 -0.12 1.61 5.36 -1.23 -5.01 117.98 119.87 3bxx s PHE 302 Ca 0.00 0.85 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 3bxx s PHE 302 Cb 0.00 -4.01 0.02 0.00 -0.34 0.00 0.00 43.02 38.70 3bxx s PHE 302 CO 0.00 -3.35 -0.10 -1.21 -1.46 0.00 0.00 175.22 169.10 3bxx s GLU 303 N -0.54 1.83 0.17 10.12 2.02 -1.26 -4.31 118.70 126.72 3bxx s GLU 303 Ca 0.62 -0.38 -0.32 0.00 0.02 0.00 0.00 54.97 54.92 3bxx s GLU 303 Cb -0.46 -1.77 -0.10 0.00 0.10 0.00 0.00 34.13 31.89 3bxx s GLU 303 CO 0.47 -0.24 1.57 -0.06 0.02 0.00 0.00 175.26 177.02 3bxx s PHE 304 N 1.57 3.06 -1.76 1.61 0.08 -1.26 -4.94 117.98 116.34 3bxx s PHE 304 Ca 0.04 0.63 0.24 0.00 0.12 0.00 0.00 56.93 57.95 3bxx s PHE 304 Cb -0.13 -3.93 0.27 0.00 -0.57 0.00 0.00 43.02 38.66 3bxx s PHE 304 CO -0.08 -3.43 1.26 1.63 -0.10 0.00 0.00 175.22 174.49 3bxx n LYS 305 N 3.94 0.87 -4.20 0.44 4.76 -1.26 -5.00 118.16 117.71 3bxx n LYS 305 Ca 0.14 -0.65 -0.12 0.00 -2.87 0.00 0.00 58.31 54.81 3bxx n LYS 305 Cb 0.38 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 3bxx n LYS 305 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3bxx s TYR 306 N -2.57 1.02 0.13 2.13 1.51 -1.26 -5.13 117.35 113.17 3bxx s TYR 306 Ca 0.19 -0.93 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 3bxx s TYR 306 Cb 0.18 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 3bxx s TYR 306 CO 0.59 -0.14 0.05 -1.54 -1.11 0.00 0.00 175.55 173.40 3bxx s SER 307 N -3.09 5.17 0.26 2.29 1.04 -1.26 -4.93 113.70 113.18 3bxx s SER 307 Ca 0.16 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.40 3bxx s SER 307 Cb 0.05 -1.26 0.64 0.00 0.10 0.00 0.00 66.02 65.55 3bxx s SER 307 CO -0.02 0.12 1.34 -0.11 0.98 0.00 0.00 173.24 175.56 3bxx n LEU 308 N 0.13 -0.11 -0.26 2.42 7.94 -1.26 0.19 117.00 126.06 3bxx n LEU 308 Ca -0.09 1.46 -0.03 0.00 -1.11 0.00 0.00 56.01 56.23 3bxx n LEU 308 Cb 0.53 -0.53 0.08 0.00 0.53 0.00 0.00 43.42 44.04 3bxx n LEU 308 CO 0.41 -1.47 1.15 -0.33 -1.11 0.00 0.00 177.39 176.04 3bxx h GLU 309 N 0.00 0.86 -0.32 1.96 3.07 -1.98 -2.48 114.58 115.69 3bxx h GLU 309 Ca 0.51 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.33 3bxx h GLU 309 Cb 1.04 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 3bxx h GLU 309 CO -0.81 0.57 0.19 -0.44 -1.40 0.00 0.00 179.01 177.12 3bxx h ASP 310 N 0.89 0.31 0.35 1.42 3.32 0.18 -0.89 116.42 122.00 3bxx h ASP 310 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3bxx h ASP 310 Cb 0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3bxx h ASP 310 CO -0.11 0.22 -0.24 0.24 -1.72 0.00 0.00 179.24 177.63 3bxx h MET 311 N 0.39 -0.56 0.00 3.56 2.86 -1.18 -2.58 114.93 117.42 3bxx h MET 311 Ca 0.13 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3bxx h MET 311 Cb -0.00 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3bxx h MET 311 CO -0.06 -0.37 0.00 0.74 1.06 0.00 0.00 176.91 178.28 3bxx h PHE 312 N -0.58 0.00 0.20 -0.22 -1.00 -1.24 -0.13 116.94 113.97 3bxx h PHE 312 Ca -0.03 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.43 3bxx h PHE 312 Cb 0.49 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.08 3bxx h PHE 312 CO -0.11 0.00 -1.44 1.79 -1.61 0.00 0.00 178.31 176.94 3bxx h THR 313 N 0.00 1.32 -0.67 -1.55 1.35 -1.05 -2.71 112.91 109.59 3bxx h THR 313 Ca 0.00 -2.81 -0.03 0.00 -0.55 0.00 0.00 66.41 63.02 3bxx h THR 313 Cb 0.44 2.98 -0.03 0.00 -1.73 0.00 0.00 68.15 69.81 3bxx h THR 313 CO 0.00 0.84 0.30 1.23 -0.25 0.00 0.00 175.52 177.64 3bxx h GLY 314 N 0.73 1.06 0.73 5.82 0.00 -0.93 0.63 103.07 111.11 3bxx h GLY 314 Ca -0.23 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 3bxx h GLY 314 CO 0.24 0.52 -0.08 0.00 0.00 0.00 0.00 176.54 177.21 3bxx h ALA 315 N 1.14 -0.24 -0.49 3.60 0.00 0.26 -0.61 119.26 122.92 3bxx h ALA 315 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bxx h ALA 315 Cb 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3bxx h ALA 315 CO -0.02 -0.50 0.16 0.28 0.00 0.00 0.00 179.25 179.17 3bxx h VAL 316 N -0.51 1.22 -0.19 0.00 2.07 -1.39 -0.40 116.25 117.05 3bxx h VAL 316 Ca -0.02 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3bxx h VAL 316 Cb 0.39 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3bxx h VAL 316 CO 0.04 0.27 -0.22 0.44 0.02 0.00 0.00 177.57 178.12 3bxx h ASP 317 N 0.66 0.52 -0.63 0.57 3.32 0.23 -2.55 116.42 118.54 3bxx h ASP 317 Ca 0.16 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3bxx h ASP 317 Cb 0.26 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3bxx h ASP 317 CO -0.01 0.91 0.34 0.74 -1.72 0.00 0.00 179.24 179.51 3bxx h THR 318 N 0.14 0.97 0.00 0.35 2.02 -1.10 0.40 112.91 115.69 3bxx h THR 318 Ca 0.03 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3bxx h THR 318 Cb 0.78 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3bxx h THR 318 CO 0.05 0.12 -0.15 0.00 0.37 0.00 0.00 175.52 175.91 3bxx h ARG 320 N 0.00 0.38 -0.18 0.00 3.08 -0.93 0.20 114.38 116.93 3bxx h ARG 320 Ca -0.00 -0.66 0.05 0.00 0.07 0.00 0.00 59.98 59.45 3bxx h ARG 320 Cb 0.43 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 3bxx h ARG 320 CO 0.02 1.31 -0.28 0.00 -1.07 0.00 0.00 179.97 179.96 3bxx h ALA 321 N 0.08 -0.25 -0.01 0.04 0.00 -0.54 -2.90 119.26 115.68 3bxx h ALA 321 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3bxx h ALA 321 Cb 1.96 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.29 3bxx h ALA 321 CO 0.17 -0.73 0.00 1.63 0.00 0.00 0.00 179.25 180.32 3bxx n LYS 322 N -5.39 1.27 -0.84 0.00 5.02 -0.47 -4.91 118.16 112.84 3bxx n LYS 322 Ca -0.02 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 3bxx n LYS 322 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3bxx n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bxx n GLY 323 N 1.07 0.50 0.02 0.72 0.00 -1.10 -4.99 105.19 101.41 3bxx n GLY 323 Ca 0.22 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.62 3bxx n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bxx n LEU 324 N 0.00 0.66 -3.91 0.99 4.77 0.62 -4.92 117.00 115.21 3bxx n LEU 324 Ca 0.00 -0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 3bxx n LEU 324 Cb 0.00 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 3bxx n LEU 324 CO 0.00 0.11 -0.38 -0.22 -1.33 0.00 0.00 177.39 175.56 3bxx s LEU 325 N -3.55 1.92 0.52 2.23 0.20 -0.76 -4.99 118.68 114.25 3bxx s LEU 325 Ca 0.06 -0.05 -0.18 0.00 0.69 0.00 0.00 54.13 54.65 3bxx s LEU 325 Cb 0.15 -0.17 -0.07 0.00 -0.43 0.00 0.00 46.19 45.67 3bxx s LEU 325 CO 0.80 0.02 1.01 -2.84 -0.29 0.00 0.00 176.35 175.06 3bxx s PRO 326 N 0.03 3.78 0.21 0.98 0.02 -1.26 -4.43 135.00 134.33 3bxx s PRO 326 Ca 0.00 1.14 -0.10 0.00 0.02 0.00 0.00 61.00 62.05 3bxx s PRO 326 Cb -0.02 -2.10 0.16 0.00 0.02 0.00 0.00 34.50 32.55 3bxx s PRO 326 CO -0.00 -0.42 1.88 -1.35 -0.33 0.00 0.00 177.00 176.77 3bxx h PRO 327 N 1.06 1.00 -4.49 5.54 0.11 -1.98 -3.46 132.00 129.78 3bxx h PRO 327 Ca -0.48 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.34 3bxx h PRO 327 Cb 1.20 -0.22 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 3bxx h PRO 327 CO 0.60 0.67 -0.56 0.45 -0.21 0.00 0.00 178.00 178.95 3bxx s SER 328 N -5.90 0.19 0.00 -2.05 0.15 -1.26 -4.83 113.70 100.00 3bxx s SER 328 Ca -0.13 -1.35 0.13 0.00 0.70 0.00 0.00 55.95 55.29 3bxx s SER 328 Cb 0.15 0.41 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 3bxx s SER 328 CO 0.78 -0.89 0.90 1.41 1.20 0.00 0.00 173.24 176.65