#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 1.70 0.04 3.84 2.01 -1.26 -0.59 115.64 121.38 3bxx s THR 7 Ca 0.00 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.29 3bxx s THR 7 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 3bxx s THR 7 CO 0.00 0.44 -0.13 0.68 -0.69 0.00 0.00 174.62 174.92 3bxx s VAL 8 N 1.43 0.99 -0.12 3.82 -7.23 -0.53 0.22 120.40 118.97 3bxx s VAL 8 Ca 0.04 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 3bxx s VAL 8 Cb -0.13 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3bxx s VAL 8 CO -0.11 -0.07 0.08 0.00 -0.31 0.00 0.00 175.10 174.68 3bxx s VAL 10 N -0.75 0.80 0.58 0.00 1.01 -1.12 -0.09 120.40 120.83 3bxx s VAL 10 Ca 0.13 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 3bxx s VAL 10 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3bxx s VAL 10 CO 0.03 -0.52 1.02 0.42 0.00 0.00 0.00 175.10 176.05 3bxx s THR 11 N 1.68 4.32 -1.40 3.92 -4.23 -0.20 -2.01 115.64 117.72 3bxx s THR 11 Ca 0.06 0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 61.43 3bxx s THR 11 Cb -0.17 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3bxx s THR 11 CO -0.20 -0.76 0.31 0.61 -0.54 0.00 0.00 174.62 174.05 3bxx n GLY 12 N -1.72 -0.41 0.20 3.99 0.00 -1.12 -2.86 105.19 103.27 3bxx n GLY 12 Ca 0.07 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 1.09 1.24 0.00 4.61 0.00 -1.42 -3.23 119.26 121.55 3bxx h ALA 13 Ca -0.68 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 3bxx h ALA 13 Cb 1.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3bxx h ALA 13 CO 0.63 0.41 -0.00 0.66 0.00 0.00 0.00 179.25 180.94 3bxx h SER 14 N 0.00 0.00 -3.73 0.00 4.64 -1.85 -2.21 113.55 110.40 3bxx h SER 14 Ca -0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.87 3bxx h SER 14 Cb 0.67 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.93 3bxx h SER 14 CO 0.04 0.00 0.41 -0.83 -0.87 0.00 0.00 176.83 175.58 3bxx s GLY 15 N -4.21 1.82 0.14 -0.77 0.00 -1.22 -4.67 107.32 98.42 3bxx s GLY 15 Ca 0.06 -1.38 -0.21 0.00 0.00 0.00 0.00 44.72 43.19 3bxx s GLY 15 CO 0.65 -0.56 1.67 -2.75 0.00 0.00 0.00 173.10 172.11 3bxx h PHE 16 N -1.70 -0.33 0.07 1.90 3.57 -1.89 1.34 116.94 119.89 3bxx h PHE 16 Ca -0.43 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 3bxx h PHE 16 Cb 1.21 0.18 0.01 0.00 2.79 0.00 0.00 35.95 40.15 3bxx h PHE 16 CO -1.43 -0.20 -0.50 0.82 -2.23 0.00 0.00 178.31 174.78 3bxx h ILE 17 N -0.12 1.58 -0.75 1.41 2.04 -1.94 -3.30 117.51 116.42 3bxx h ILE 17 Ca 0.12 -2.34 0.13 0.00 1.00 0.00 0.00 64.86 63.78 3bxx h ILE 17 Cb 0.30 3.10 -0.05 0.00 -0.74 0.00 0.00 36.82 39.44 3bxx h ILE 17 CO -0.29 0.65 0.50 1.23 0.00 0.00 0.00 178.15 180.23 3bxx h GLY 18 N -0.51 0.81 0.85 5.37 0.00 -1.69 -2.03 103.07 105.86 3bxx h GLY 18 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3bxx h GLY 18 CO 0.09 0.09 -0.16 1.48 0.00 0.00 0.00 176.54 178.04 3bxx h SER 19 N 0.50 -0.39 -0.71 0.19 4.64 0.24 -2.14 113.55 115.89 3bxx h SER 19 Ca 0.36 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3bxx h SER 19 Cb 0.71 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 3bxx h SER 19 CO -0.13 -0.15 0.44 -0.25 -0.87 0.00 0.00 176.83 175.87 3bxx h TRP 20 N -0.61 0.94 -0.31 4.77 2.91 -1.58 -1.45 115.95 120.60 3bxx h TRP 20 Ca -0.05 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 3bxx h TRP 20 Cb 0.44 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 3bxx h TRP 20 CO -0.01 0.62 -0.17 1.25 -1.03 0.00 0.00 178.44 179.10 3bxx h LEU 21 N 0.99 0.69 -0.22 0.65 5.85 -1.16 0.25 115.31 122.36 3bxx h LEU 21 Ca 0.26 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3bxx h LEU 21 Cb -0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3bxx h LEU 21 CO -0.05 0.95 0.04 0.58 -0.34 0.00 0.00 178.44 179.62 3bxx h VAL 22 N 0.43 1.22 -0.70 1.05 2.07 -1.11 -2.13 116.25 117.09 3bxx h VAL 22 Ca 0.07 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.00 3bxx h VAL 22 Cb 0.70 1.28 -0.12 0.00 -1.52 0.00 0.00 31.29 31.64 3bxx h VAL 22 CO 0.05 0.23 0.04 -0.03 0.02 0.00 0.00 177.57 177.88 3bxx h MET 23 N 0.17 0.14 0.02 1.57 1.85 -0.92 -2.38 114.93 115.39 3bxx h MET 23 Ca 0.07 -0.01 -0.26 0.00 -0.61 0.00 0.00 59.70 58.89 3bxx h MET 23 Cb 0.31 -0.03 0.02 0.00 0.43 0.00 0.00 31.60 32.33 3bxx h MET 23 CO 0.00 0.09 -1.05 0.00 -0.40 0.00 0.00 176.91 175.56 3bxx h ARG 24 N 0.14 0.57 0.00 0.39 2.47 -0.92 -2.71 114.38 114.33 3bxx h ARG 24 Ca 0.38 -0.65 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 3bxx h ARG 24 Cb 0.65 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 3bxx h ARG 24 CO -0.58 1.26 -0.21 -0.07 0.56 0.00 0.00 179.97 180.93 3bxx h LEU 25 N 0.31 0.00 -0.00 3.04 3.38 -1.34 -2.62 115.31 118.08 3bxx h LEU 25 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3bxx h LEU 25 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3bxx h LEU 25 CO 0.20 0.21 -0.01 -0.07 0.09 0.00 0.00 178.44 178.85 3bxx h LEU 26 N 0.00 0.01 -1.16 1.67 3.38 -1.33 -1.02 115.31 116.86 3bxx h LEU 26 Ca -0.00 -0.68 0.13 0.00 0.09 0.00 0.00 57.88 57.42 3bxx h LEU 26 Cb 0.37 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3bxx h LEU 26 CO 0.03 0.69 0.60 -0.33 0.09 0.00 0.00 178.44 179.51 3bxx h GLU 27 N -0.67 0.81 0.00 1.13 5.08 -1.49 -2.16 114.58 117.29 3bxx h GLU 27 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bxx h GLU 27 Cb 0.69 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3bxx h GLU 27 CO 0.00 0.54 0.00 -2.13 -1.00 0.00 0.00 179.01 176.42 3bxx n ARG 28 N -4.59 0.06 0.00 2.33 0.63 -0.99 -4.91 116.66 109.19 3bxx n ARG 28 Ca 0.18 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 3bxx n ARG 28 Cb 0.41 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.82 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 0.86 1.01 3.64 5.14 0.00 -0.81 -5.08 105.19 109.95 3bxx n GLY 29 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 1.94 -0.16 1.61 1.51 -0.40 -4.57 117.35 115.29 3bxx s TYR 30 Ca 0.00 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 3bxx s TYR 30 Cb 0.00 -3.25 0.02 0.00 -0.11 0.00 0.00 41.96 38.62 3bxx s TYR 30 CO 0.00 -3.12 -0.15 0.99 -1.11 0.00 0.00 175.55 172.16 3bxx s THR 31 N -2.90 1.67 -0.16 -0.71 2.01 0.25 -4.61 115.64 111.20 3bxx s THR 31 Ca 0.66 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 3bxx s THR 31 Cb -0.19 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3bxx s THR 31 CO 0.59 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.17 3bxx s VAL 32 N 1.45 2.88 -0.93 3.82 1.01 0.71 -1.46 120.40 127.88 3bxx s VAL 32 Ca 0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3bxx s VAL 32 Cb -0.13 -2.23 0.16 0.00 0.00 0.00 0.00 36.38 34.19 3bxx s VAL 32 CO -0.11 0.50 1.05 -0.13 0.00 0.00 0.00 175.10 176.42 3bxx s ARG 33 N 0.79 3.67 0.26 2.72 0.52 -0.29 -1.40 118.95 125.21 3bxx s ARG 33 Ca -0.05 -2.08 -0.29 0.00 -0.52 0.00 0.00 55.73 52.78 3bxx s ARG 33 Cb -0.15 -4.78 -0.09 0.00 0.52 0.00 0.00 34.95 30.44 3bxx s ARG 33 CO 0.01 -1.62 0.96 0.00 0.02 0.00 0.00 175.30 174.67 3bxx s ALA 34 N 1.74 3.33 0.10 2.13 0.00 0.05 -2.79 121.76 126.32 3bxx s ALA 34 Ca 0.29 0.65 0.10 0.00 0.00 0.00 0.00 51.96 53.00 3bxx s ALA 34 Cb -0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3bxx s ALA 34 CO -0.08 0.15 -0.25 0.95 0.00 0.00 0.00 175.76 176.52 3bxx s THR 35 N -1.23 2.31 -0.20 0.00 -4.23 -0.85 -1.11 115.64 110.33 3bxx s THR 35 Ca 0.43 -1.58 -0.27 0.00 -1.18 0.00 0.00 61.69 59.08 3bxx s THR 35 Cb -0.26 -1.98 0.09 0.00 1.34 0.00 0.00 72.50 71.69 3bxx s THR 35 CO 0.32 0.19 0.81 0.68 -0.54 0.00 0.00 174.62 176.09 3bxx s VAL 36 N -0.98 0.00 0.45 2.29 -7.23 -0.30 -1.86 120.40 112.78 3bxx s VAL 36 Ca 0.14 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.43 3bxx s VAL 36 Cb -0.10 -1.00 0.29 0.00 0.56 0.00 0.00 36.38 36.12 3bxx s VAL 36 CO 0.05 0.00 2.07 0.03 -0.31 0.00 0.00 175.10 176.94 3bxx h ARG 37 N 3.96 0.33 -2.01 4.82 3.08 -1.83 -3.19 114.38 119.53 3bxx h ARG 37 Ca -0.27 -0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.38 3bxx h ARG 37 Cb 1.16 -0.07 -0.32 0.00 0.08 0.00 0.00 29.97 30.82 3bxx h ARG 37 CO 0.19 0.22 -0.69 0.34 -1.07 0.00 0.00 179.97 178.96 3bxx s ASP 38 N -6.69 1.34 0.00 7.04 2.15 -1.26 -4.65 116.67 114.59 3bxx s ASP 38 Ca -0.07 -1.51 0.20 0.00 0.43 0.00 0.00 52.55 51.59 3bxx s ASP 38 Cb 0.18 0.49 0.97 0.00 -0.30 0.00 0.00 42.92 44.26 3bxx s ASP 38 CO 0.72 -0.28 1.62 -0.81 -0.17 0.00 0.00 175.17 176.25 3bxx n PRO 39 N 4.37 0.23 0.13 4.34 -0.04 -1.26 -2.97 135.00 139.79 3bxx n PRO 39 Ca 0.09 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 3bxx n PRO 39 Cb 0.45 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3bxx n PRO 39 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3bxx h THR 40 N 0.00 0.36 -2.13 0.52 1.35 -1.99 -3.44 112.91 107.58 3bxx h THR 40 Ca 0.00 -1.57 -0.58 0.00 -0.55 0.00 0.00 66.41 63.71 3bxx h THR 40 Cb 0.22 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3bxx h THR 40 CO 0.00 0.21 1.43 0.21 -0.25 0.00 0.00 175.52 177.12 3bxx s ASN 41 N -5.99 5.62 0.39 5.36 3.84 -1.16 -4.87 114.94 118.14 3bxx s ASN 41 Ca 0.02 1.90 0.21 0.00 0.21 0.00 0.00 52.86 55.20 3bxx s ASN 41 Cb 0.08 -2.51 0.59 0.00 -0.55 0.00 0.00 41.25 38.85 3bxx s ASN 41 CO 0.75 -1.83 1.68 0.58 -2.79 0.00 0.00 177.10 175.50 3bxx h VAL 42 N 6.93 0.61 0.39 -5.21 2.07 -1.89 -3.09 116.25 116.06 3bxx h VAL 42 Ca -0.41 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 3bxx h VAL 42 Cb 1.23 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3bxx h VAL 42 CO 0.97 0.29 -0.19 0.11 0.02 0.00 0.00 177.57 178.77 3bxx h LYS 43 N 0.00 -0.50 0.79 1.57 1.57 -1.97 -2.78 116.57 115.25 3bxx h LYS 43 Ca -0.00 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3bxx h LYS 43 Cb 0.98 0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.41 3bxx h LYS 43 CO 0.04 -0.24 -0.38 0.87 -0.57 0.00 0.00 179.45 179.17 3bxx h LYS 44 N -0.70 -1.03 0.00 3.15 1.79 -1.90 -3.36 116.57 114.52 3bxx h LYS 44 Ca -0.05 0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 3bxx h LYS 44 Cb 0.50 0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 3bxx h LYS 44 CO 0.09 -0.67 -0.67 -0.39 -1.08 0.00 0.00 179.45 176.72 3bxx h VAL 45 N -1.13 1.23 0.30 0.50 -1.51 -1.67 -3.39 116.25 110.58 3bxx h VAL 45 Ca -0.11 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 3bxx h VAL 45 Cb 0.83 2.46 -0.03 0.00 -2.13 0.00 0.00 31.29 32.41 3bxx h VAL 45 CO 0.18 0.66 -0.45 0.50 -1.23 0.00 0.00 177.57 177.22 3bxx h LYS 46 N 0.00 -0.78 -1.18 5.19 3.64 -1.64 -0.98 116.57 120.83 3bxx h LYS 46 Ca -0.01 0.05 0.34 0.00 -1.27 0.00 0.00 60.65 59.76 3bxx h LYS 46 Cb 1.41 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.32 3bxx h LYS 46 CO 0.09 -0.52 0.80 1.12 -2.27 0.00 0.00 179.45 178.67 3bxx h HIS 47 N -0.81 0.36 -0.74 1.91 2.07 -1.81 0.14 115.15 116.28 3bxx h HIS 47 Ca -0.02 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.47 3bxx h HIS 47 Cb 0.76 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 30.60 3bxx h HIS 47 CO -0.31 -0.01 0.29 -0.07 -3.07 0.00 0.00 177.93 174.76 3bxx h LEU 48 N 0.18 1.03 -0.04 6.12 3.38 -1.41 -3.19 115.31 121.37 3bxx h LEU 48 Ca 0.64 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 58.22 3bxx h LEU 48 Cb 2.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 3bxx h LEU 48 CO -0.20 0.92 -0.98 -0.07 0.09 0.00 0.00 178.44 178.21 3bxx h LEU 49 N 1.07 0.00 -2.22 1.67 3.38 -0.56 -3.09 115.31 115.56 3bxx h LEU 49 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3bxx h LEU 49 Cb 0.22 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3bxx h LEU 49 CO -0.02 0.98 -0.03 0.44 0.09 0.00 0.00 178.44 179.90 3bxx h ASP 50 N 0.00 0.00 -2.13 -0.43 3.32 -1.52 -3.44 116.42 112.22 3bxx h ASP 50 Ca -0.01 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 3bxx h ASP 50 Cb 1.74 0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.33 3bxx h ASP 50 CO 0.13 0.03 0.89 0.18 -1.72 0.00 0.00 179.24 178.75 3bxx n LEU 51 N -4.01 3.13 -4.51 1.55 4.77 -1.17 -4.92 117.00 111.84 3bxx n LEU 51 Ca -0.03 1.04 -0.36 0.00 -0.03 0.00 0.00 56.01 56.63 3bxx n LEU 51 Cb 0.12 -1.39 0.07 0.00 -2.33 0.00 0.00 43.42 39.89 3bxx n LEU 51 CO 0.30 -0.25 0.19 -0.81 -1.33 0.00 0.00 177.39 175.50 3bxx n PRO 52 N 4.60 0.40 -0.99 3.23 -0.04 -1.26 -1.45 135.00 139.49 3bxx n PRO 52 Ca 0.19 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3bxx n PRO 52 Cb 0.28 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 -0.93 -1.73 0.05 0.54 5.02 -1.26 -4.82 118.16 115.03 3bxx n LYS 53 Ca 0.11 0.43 -0.04 0.00 -2.02 0.00 0.00 58.31 56.80 3bxx n LYS 53 Cb 0.49 -4.77 0.19 0.00 -0.02 0.00 0.00 35.03 30.93 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 1.04 0.45 7.82 0.00 -1.54 0.19 119.26 127.22 3bxx h ALA 54 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3bxx h ALA 54 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3bxx h ALA 54 CO 0.00 0.59 -0.25 0.93 0.00 0.00 0.00 179.25 180.53 3bxx h GLU 55 N 0.32 -0.62 -0.53 0.00 5.08 -1.85 -1.04 114.58 115.93 3bxx h GLU 55 Ca 0.03 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3bxx h GLU 55 Cb 0.80 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3bxx h GLU 55 CO 0.06 -0.41 -0.07 1.15 -1.00 0.00 0.00 179.01 178.74 3bxx h THR 56 N -0.64 1.26 -0.02 1.13 2.02 -1.96 -3.37 112.91 111.33 3bxx h THR 56 Ca -0.06 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3bxx h THR 56 Cb 0.50 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3bxx h THR 56 CO 0.08 0.42 0.00 1.41 0.37 0.00 0.00 175.52 177.81 3bxx n HIS 57 N -4.16 0.03 -4.53 3.16 8.25 0.66 -5.01 115.22 113.62 3bxx n HIS 57 Ca 0.02 -0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 56.65 3bxx n HIS 57 Cb 0.37 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.32 1.61 0.15 2.41 2.96 -0.40 -0.20 118.68 123.88 3bxx s LEU 58 Ca 0.07 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 3bxx s LEU 58 Cb 0.05 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 3bxx s LEU 58 CO 0.01 0.02 -0.10 0.42 -1.32 0.00 0.00 176.35 175.39 3bxx s THR 59 N 0.70 3.26 0.04 3.68 -4.23 -0.49 -4.76 115.64 113.85 3bxx s THR 59 Ca -0.14 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 3bxx s THR 59 Cb -0.16 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3bxx s THR 59 CO 0.03 -0.03 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.22 3bxx s LEU 60 N -2.60 2.99 -0.03 4.79 1.43 -1.26 -0.77 118.68 123.24 3bxx s LEU 60 Ca 0.23 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3bxx s LEU 60 Cb -0.10 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3bxx s LEU 60 CO 0.15 0.25 0.12 0.26 0.23 0.00 0.00 176.35 177.35 3bxx s TRP 61 N -1.04 -0.05 -0.08 0.29 0.52 -0.27 -4.92 118.94 113.39 3bxx s TRP 61 Ca 0.18 0.12 -0.22 0.00 0.02 0.00 0.00 56.10 56.20 3bxx s TRP 61 Cb -0.11 -0.00 -0.04 0.00 -1.15 0.00 0.00 33.47 32.17 3bxx s TRP 61 CO 0.09 -0.16 0.62 0.21 0.02 0.00 0.00 176.95 177.73 3bxx s LYS 62 N -0.57 4.40 -0.05 4.98 2.20 -1.26 -1.15 119.74 128.30 3bxx s LYS 62 Ca -0.07 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 3bxx s LYS 62 Cb -0.04 -3.44 0.10 0.00 -1.51 0.00 0.00 37.83 32.94 3bxx s LYS 62 CO 0.01 0.11 0.83 0.00 -0.36 0.00 0.00 175.35 175.93 3bxx s ALA 63 N 0.70 -1.81 -0.23 3.13 0.00 -1.21 -4.83 121.76 117.51 3bxx s ALA 63 Ca 0.33 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 3bxx s ALA 63 Cb -0.17 -0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.03 3bxx s ALA 63 CO 0.16 -0.48 0.51 0.34 0.00 0.00 0.00 175.76 176.29 3bxx s ASP 64 N -1.69 -0.63 0.53 0.00 -1.08 -1.26 -3.36 116.67 109.18 3bxx s ASP 64 Ca -0.02 1.20 0.40 0.00 -0.52 0.00 0.00 52.55 53.61 3bxx s ASP 64 Cb -0.01 1.49 1.59 0.00 -1.46 0.00 0.00 42.92 44.53 3bxx s ASP 64 CO -0.01 -0.22 1.70 -0.07 0.52 0.00 0.00 175.17 177.09 3bxx h LEU 65 N 7.77 0.05 -1.52 -1.34 3.38 -1.96 0.45 115.31 122.15 3bxx h LEU 65 Ca -0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3bxx h LEU 65 Cb 1.14 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3bxx h LEU 65 CO 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3bxx n ALA 66 N -2.79 2.79 -3.81 1.53 0.00 -1.26 -3.66 120.51 113.32 3bxx n ALA 66 Ca 0.34 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 3bxx n ALA 66 Cb 1.54 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 3bxx n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bxx s ASP 67 N -0.49 3.34 0.12 0.00 1.01 0.15 -5.07 116.67 115.73 3bxx s ASP 67 Ca 0.17 -1.02 -0.33 0.00 0.71 0.00 0.00 52.55 52.08 3bxx s ASP 67 Cb 0.12 -0.83 -0.13 0.00 1.01 0.00 0.00 42.92 43.09 3bxx s ASP 67 CO 0.07 -0.29 1.71 1.21 0.21 0.00 0.00 175.17 178.08 3bxx n GLU 68 N 4.90 2.38 -0.81 8.23 2.13 -1.26 -1.71 120.64 134.50 3bxx n GLU 68 Ca -0.09 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3bxx n GLU 68 Cb 0.46 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.48 3bxx n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bxx n GLY 69 N 3.84 0.88 0.00 8.31 0.00 -1.26 -4.95 105.19 112.01 3bxx n GLY 69 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3bxx n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bxx n SER 70 N 0.00 0.00 -0.53 1.61 3.41 -0.69 -1.59 113.62 115.83 3bxx n SER 70 Ca 0.00 -0.45 0.06 0.00 -0.26 0.00 0.00 58.87 58.22 3bxx n SER 70 Cb 0.00 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 63.98 3bxx n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3bxx n PHE 71 N -1.05 0.12 0.00 7.33 3.01 -1.26 -4.21 117.46 121.41 3bxx n PHE 71 Ca 0.12 -0.12 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 3bxx n PHE 71 Cb 0.07 -0.01 -0.06 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 2.30 -1.35 -0.45 4.37 3.32 -1.65 0.80 116.42 123.76 3bxx h ASP 72 Ca 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3bxx h ASP 72 Cb 0.56 0.54 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3bxx h ASP 72 CO 0.00 -0.43 0.06 -0.33 -1.72 0.00 0.00 179.24 176.81 3bxx h GLU 73 N -0.51 0.76 -0.81 3.56 5.08 -1.86 -1.75 114.58 119.06 3bxx h GLU 73 Ca 0.07 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3bxx h GLU 73 Cb 0.63 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3bxx h GLU 73 CO -0.40 0.79 0.37 0.00 -1.00 0.00 0.00 179.01 178.78 3bxx h ALA 74 N 0.94 1.05 0.00 3.43 0.00 -1.85 -3.25 119.26 119.58 3bxx h ALA 74 Ca 0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3bxx h ALA 74 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3bxx h ALA 74 CO 0.01 0.63 -0.72 0.82 0.00 0.00 0.00 179.25 179.98 3bxx h ILE 75 N 1.15 1.47 -2.93 0.00 2.04 -0.35 -3.44 117.51 115.46 3bxx h ILE 75 Ca 0.28 -2.53 -0.58 0.00 1.00 0.00 0.00 64.86 63.02 3bxx h ILE 75 Cb 0.14 2.38 0.11 0.00 -0.74 0.00 0.00 36.82 38.71 3bxx h ILE 75 CO -0.03 0.71 0.37 0.29 0.00 0.00 0.00 178.15 179.49 3bxx n LYS 76 N -3.60 1.82 0.00 2.37 5.02 -0.70 -1.86 118.16 121.21 3bxx n LYS 76 Ca -0.01 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3bxx n LYS 76 Cb 0.72 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3bxx n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bxx n GLY 77 N 1.06 2.58 3.76 0.72 0.00 -1.26 -4.99 105.19 107.06 3bxx n GLY 77 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3bxx n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx n THR 79 N -1.51 0.02 -4.10 0.00 -2.24 0.13 -2.92 114.28 103.66 3bxx n THR 79 Ca 0.13 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3bxx n THR 79 Cb 0.50 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.11 3bxx n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bxx s GLY 80 N -3.76 0.97 -0.22 3.38 0.00 -1.24 -1.72 107.32 104.73 3bxx s GLY 80 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 3bxx s GLY 80 CO 0.88 -1.12 0.32 0.14 0.00 0.00 0.00 173.10 173.32 3bxx s VAL 81 N -4.07 -0.50 -0.31 1.40 1.01 -1.12 -2.74 120.40 114.07 3bxx s VAL 81 Ca 0.28 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 3bxx s VAL 81 Cb 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3bxx s VAL 81 CO 0.07 -0.11 0.62 -0.36 0.00 0.00 0.00 175.10 175.32 3bxx s PHE 82 N 2.47 3.20 -0.79 5.22 0.08 0.87 -1.61 117.98 127.42 3bxx s PHE 82 Ca 0.09 0.53 -0.18 0.00 0.12 0.00 0.00 56.93 57.49 3bxx s PHE 82 Cb -0.15 -3.00 0.14 0.00 -0.57 0.00 0.00 43.02 39.44 3bxx s PHE 82 CO -0.14 -0.50 0.90 -1.58 -0.10 0.00 0.00 175.22 173.80 3bxx s HIS 83 N 2.61 3.23 -0.24 0.36 5.65 -0.39 -1.04 115.29 125.48 3bxx s HIS 83 Ca 0.25 -1.38 0.06 0.00 0.25 0.00 0.00 55.06 54.24 3bxx s HIS 83 Cb -0.15 -4.08 -0.19 0.00 -1.18 0.00 0.00 32.58 26.97 3bxx s HIS 83 CO 0.12 -1.31 -0.11 0.28 -0.65 0.00 0.00 174.74 173.07 3bxx n VAL 84 N 5.13 1.48 -1.57 0.89 0.31 -1.21 -1.86 118.33 121.50 3bxx n VAL 84 Ca 0.10 -0.65 -0.52 0.00 -0.01 0.00 0.00 64.34 63.26 3bxx n VAL 84 Cb 0.46 -1.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 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 -3.11 -1.35 -3.09 3.52 0.00 -1.14 -4.88 120.51 110.46 3bxx n ALA 85 Ca -0.42 0.52 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3bxx n ALA 85 Cb 1.04 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 3bxx n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bxx s THR 86 N 0.23 0.01 0.65 0.00 2.01 -1.26 -4.89 115.64 112.40 3bxx s THR 86 Ca 0.82 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 3bxx s THR 86 Cb -0.97 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 3bxx s THR 86 CO 0.50 -0.05 1.16 -2.16 -0.69 0.00 0.00 174.62 173.38 3bxx s PRO 87 N -0.10 2.70 0.54 4.92 0.04 -1.26 -5.09 135.00 136.75 3bxx s PRO 87 Ca -0.02 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.69 3bxx s PRO 87 Cb -0.02 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.64 3bxx s PRO 87 CO 0.01 -1.37 0.42 -1.64 0.04 0.00 0.00 177.00 174.46 3bxx s MET 88 N -3.80 2.27 -0.89 4.56 1.00 -1.26 -4.97 119.30 116.21 3bxx s MET 88 Ca 0.72 -1.98 -0.01 0.00 0.00 0.00 0.00 55.69 54.42 3bxx s MET 88 Cb -0.25 -2.14 0.24 0.00 0.00 0.00 0.00 34.83 32.68 3bxx s MET 88 CO 0.39 -0.61 0.90 -3.47 0.00 0.00 0.00 175.02 172.23 3bxx n ASP 89 N -1.78 4.51 0.00 3.03 2.03 -1.26 -4.66 116.55 118.42 3bxx n ASP 89 Ca -0.00 -3.24 -0.21 0.00 0.52 0.00 0.00 54.79 51.86 3bxx n ASP 89 Cb 0.64 -1.02 -0.14 0.00 -0.72 0.00 0.00 41.12 39.88 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 5.57 0.43 -0.03 -0.67 3.57 -1.97 -3.29 116.94 120.54 3bxx h PHE 90 Ca 0.18 -0.31 -0.12 0.00 3.53 0.00 0.00 57.97 61.24 3bxx h PHE 90 Cb 0.75 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3bxx h PHE 90 CO 0.77 1.56 -0.54 0.93 -2.23 0.00 0.00 178.31 178.79 3bxx h GLU 91 N -0.31 0.09 -1.21 1.11 4.39 -1.99 -3.47 114.58 113.18 3bxx h GLU 91 Ca -0.31 -0.05 -0.36 0.00 0.34 0.00 0.00 59.36 58.97 3bxx h GLU 91 Cb 1.75 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 30.29 3bxx h GLU 91 CO 0.05 0.61 -0.36 0.43 -1.16 0.00 0.00 179.01 178.58 3bxx n SER 92 N -3.90 -5.15 -0.01 1.42 7.64 -1.24 -4.88 113.62 107.49 3bxx n SER 92 Ca -0.02 0.34 0.06 0.00 1.01 0.00 0.00 58.87 60.26 3bxx n SER 92 Cb 0.56 -4.22 -0.11 0.00 -1.01 0.00 0.00 64.21 59.43 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 -2.53 0.54 -2.97 1.43 5.02 -1.26 -4.97 118.16 113.42 3bxx n LYS 93 Ca -0.19 -0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.00 3bxx n LYS 93 Cb 0.60 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.67 -0.88 0.38 4.39 -1.08 -1.26 -5.06 116.67 109.49 3bxx s ASP 94 Ca -0.05 -0.45 0.20 0.00 -0.52 0.00 0.00 52.55 51.73 3bxx s ASP 94 Cb 0.08 1.12 0.53 0.00 -1.46 0.00 0.00 42.92 43.20 3bxx s ASP 94 CO 0.57 -0.10 1.66 1.55 0.52 0.00 0.00 175.17 179.37 3bxx h PRO 95 N 6.13 0.00 0.46 4.34 0.13 -1.96 0.16 132.00 141.25 3bxx h PRO 95 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3bxx h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3bxx h PRO 95 CO 0.00 0.30 -0.22 1.49 -0.23 0.00 0.00 178.00 179.34 3bxx h GLU 96 N 0.00 -0.60 -0.02 0.86 4.57 -1.97 0.35 114.58 117.77 3bxx h GLU 96 Ca -0.00 0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 58.01 3bxx h GLU 96 Cb 1.02 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3bxx h GLU 96 CO 0.04 -0.36 -0.86 -0.91 -1.18 0.00 0.00 179.01 175.74 3bxx h ASN 97 N -0.71 0.43 0.18 1.04 2.35 -1.94 0.16 115.58 117.09 3bxx h ASN 97 Ca -0.06 -0.33 -0.32 0.00 -0.55 0.00 0.00 56.30 55.04 3bxx h ASN 97 Cb 0.52 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.79 3bxx h ASN 97 CO 0.10 1.11 -1.35 -0.08 -1.65 0.00 0.00 177.43 175.56 3bxx h GLU 98 N 0.20 0.60 0.00 0.81 4.81 -0.71 -3.40 114.58 116.89 3bxx h GLU 98 Ca -0.06 -0.88 -0.12 0.00 -0.13 0.00 0.00 59.36 58.17 3bxx h GLU 98 Cb 1.48 0.31 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 3bxx h GLU 98 CO 0.14 1.41 -1.15 0.28 -0.73 0.00 0.00 179.01 178.97 3bxx n VAL 99 N -3.76 0.95 -0.06 0.32 0.31 -0.10 -4.63 118.33 111.35 3bxx n VAL 99 Ca -0.15 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 3bxx n VAL 99 Cb 1.04 -1.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.43 1.34 0.58 2.52 2.04 -0.42 -1.89 117.51 121.25 3bxx h ILE 100 Ca -0.18 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 3bxx h ILE 100 Cb 0.92 1.84 0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3bxx h ILE 100 CO -0.11 0.45 -0.28 0.50 0.00 0.00 0.00 178.15 178.72 3bxx h LYS 101 N 0.19 -0.75 -0.62 2.37 3.64 -0.94 -3.00 116.57 117.46 3bxx h LYS 101 Ca 0.02 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3bxx h LYS 101 Cb 0.85 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3bxx h LYS 101 CO 0.06 -0.50 0.34 -1.35 -2.27 0.00 0.00 179.45 175.74 3bxx h PRO 102 N -0.84 0.85 -0.51 1.90 0.11 -1.77 0.24 132.00 131.98 3bxx h PRO 102 Ca -0.08 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 65.99 3bxx h PRO 102 Cb 0.59 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 3bxx h PRO 102 CO 0.13 0.62 0.25 1.15 -0.21 0.00 0.00 178.00 179.94 3bxx h THR 103 N 0.86 0.94 0.56 -1.15 2.02 -1.43 0.12 112.91 114.83 3bxx h THR 103 Ca 0.22 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3bxx h THR 103 Cb 0.02 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3bxx h THR 103 CO -0.04 0.09 -0.27 0.40 0.37 0.00 0.00 175.52 176.07 3bxx h ILE 104 N 0.49 0.00 0.35 3.11 2.04 -1.27 -1.95 117.51 120.27 3bxx h ILE 104 Ca 0.23 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3bxx h ILE 104 Cb 0.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3bxx h ILE 104 CO -0.17 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.49 3bxx h GLU 105 N -0.99 -0.45 -0.89 2.37 5.08 -0.54 -1.53 114.58 117.64 3bxx h GLU 105 Ca -0.08 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 3bxx h GLU 105 Cb 0.58 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.78 3bxx h GLU 105 CO 0.13 -0.15 -0.31 0.41 -1.00 0.00 0.00 179.01 178.09 3bxx n GLY 106 N -0.47 -1.74 0.28 -3.84 0.00 0.41 0.35 105.19 100.18 3bxx n GLY 106 Ca -0.10 0.98 -0.10 0.00 0.00 0.00 0.00 46.02 46.81 3bxx n GLY 106 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3bxx h MET 107 N 0.00 -0.30 0.00 1.61 1.85 -0.48 -0.37 114.93 117.24 3bxx h MET 107 Ca 0.34 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.40 3bxx h MET 107 Cb 0.56 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.65 3bxx h MET 107 CO -0.89 -0.20 -0.22 -0.07 -0.40 0.00 0.00 176.91 175.14 3bxx h LEU 108 N -0.31 0.00 -0.09 3.39 3.38 -0.21 -1.34 115.31 120.13 3bxx h LEU 108 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bxx h LEU 108 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3bxx h LEU 108 CO -0.31 0.22 0.01 1.23 0.09 0.00 0.00 178.44 179.68 3bxx h GLY 109 N 0.65 0.16 0.68 0.83 0.00 0.11 -1.32 103.07 104.18 3bxx h GLY 109 Ca -0.00 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.29 3bxx h GLY 109 CO 0.03 0.10 0.51 -2.22 0.00 0.00 0.00 176.54 174.96 3bxx h ILE 110 N -0.10 1.01 0.36 2.60 2.04 -0.61 0.18 117.51 122.99 3bxx h ILE 110 Ca 0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3bxx h ILE 110 Cb 0.30 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3bxx h ILE 110 CO 0.00 0.17 -0.17 0.24 0.00 0.00 0.00 178.15 178.39 3bxx h MET 111 N 0.91 -0.47 -1.03 2.37 2.86 -1.23 -1.75 114.93 116.59 3bxx h MET 111 Ca 0.37 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 58.31 3bxx h MET 111 Cb 0.21 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.86 3bxx h MET 111 CO -0.19 -0.18 0.64 0.87 1.06 0.00 0.00 176.91 179.10 3bxx h LYS 112 N -0.73 0.45 0.00 1.72 1.57 -1.00 0.52 116.57 119.10 3bxx h LYS 112 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3bxx h LYS 112 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3bxx h LYS 112 CO 0.08 0.30 0.00 0.43 -0.57 0.00 0.00 179.45 179.69 3bxx n SER 113 N -4.79 0.43 0.04 0.86 7.64 0.63 -2.77 113.62 115.66 3bxx n SER 113 Ca 0.27 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.50 3bxx n SER 113 Cb 0.85 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 3bxx n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bxx h ALA 115 N 0.03 -0.11 -0.37 0.00 0.00 -1.23 -2.47 119.26 115.10 3bxx h ALA 115 Ca -0.31 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bxx h ALA 115 Cb 1.90 0.75 0.00 0.00 0.00 0.00 0.00 17.79 20.44 3bxx h ALA 115 CO 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.67 3bxx n ALA 116 N -3.08 2.63 0.09 0.00 0.00 -1.11 -3.21 120.51 115.83 3bxx n ALA 116 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 3bxx n ALA 116 Cb 0.35 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 3bxx n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bxx h ALA 117 N 3.56 0.13 0.00 0.00 0.00 -1.48 -3.49 119.26 117.97 3bxx h ALA 117 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3bxx h ALA 117 Cb 0.71 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3bxx h ALA 117 CO 0.06 0.99 0.00 1.63 0.00 0.00 0.00 179.25 181.94 3bxx n LYS 118 N -3.55 -1.20 0.00 0.00 4.01 -1.20 -4.70 118.16 111.52 3bxx n LYS 118 Ca -0.17 0.30 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 3bxx n LYS 118 Cb 1.06 -4.41 0.00 0.00 -0.51 0.00 0.00 35.03 31.17 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 -2.19 0.02 -3.20 -0.18 -1.04 -1.26 -5.02 114.28 101.40 3bxx n THR 119 Ca 0.00 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.05 61.46 3bxx n THR 119 Cb 0.30 1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 70.40 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 -0.02 5.12 -0.76 12.58 1.01 -1.15 -3.79 120.40 133.40 3bxx s VAL 120 Ca 0.00 1.14 0.18 0.00 0.00 0.00 0.00 61.98 63.30 3bxx s VAL 120 Cb 0.00 -3.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 3bxx s VAL 120 CO 0.00 0.27 0.72 -2.11 0.00 0.00 0.00 175.10 173.98 3bxx n ARG 121 N 3.92 1.04 -3.54 2.72 1.85 -0.70 -4.97 116.66 116.98 3bxx n ARG 121 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 57.85 56.78 3bxx n ARG 121 Cb 0.51 -1.35 -0.05 0.00 -1.05 0.00 0.00 32.46 30.52 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 -2.75 0.33 -0.13 2.89 3.52 -1.24 -4.75 118.95 116.83 3bxx s ARG 122 Ca 0.05 0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 56.23 3bxx s ARG 122 Cb 0.13 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.71 3bxx s ARG 122 CO 0.74 -0.09 0.17 -1.17 -0.81 0.00 0.00 175.30 174.14 3bxx s LEU 123 N 1.80 4.35 -0.17 -0.88 0.20 -1.21 -2.80 118.68 119.98 3bxx s LEU 123 Ca -0.06 0.47 0.00 0.00 0.69 0.00 0.00 54.13 55.23 3bxx s LEU 123 Cb -0.05 -2.13 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 3bxx s LEU 123 CO -0.16 0.34 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.39 3bxx s VAL 124 N -0.67 2.49 0.01 1.68 1.01 -0.64 -0.88 120.40 123.41 3bxx s VAL 124 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3bxx s VAL 124 Cb -0.12 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3bxx s VAL 124 CO 0.04 0.51 0.37 0.12 0.00 0.00 0.00 175.10 176.14 3bxx s PHE 125 N 1.05 3.65 -0.42 5.22 5.36 0.12 -1.26 117.98 131.70 3bxx s PHE 125 Ca -0.01 0.84 -0.21 0.00 -0.96 0.00 0.00 56.93 56.59 3bxx s PHE 125 Cb -0.15 -2.18 0.02 0.00 -0.34 0.00 0.00 43.02 40.37 3bxx s PHE 125 CO -0.05 0.61 0.65 0.99 -1.46 0.00 0.00 175.22 175.97 3bxx s THR 126 N -1.20 4.82 0.00 0.12 2.01 -0.78 -1.20 115.64 119.42 3bxx s THR 126 Ca 0.26 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3bxx s THR 126 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.17 3bxx s THR 126 CO 0.14 -0.56 0.00 -0.24 -0.69 0.00 0.00 174.62 173.27 3bxx n SER 127 N 6.26 0.00 -3.93 3.53 2.88 0.25 -4.91 113.62 117.70 3bxx n SER 127 Ca -0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.37 3bxx n SER 127 Cb 0.48 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.53 0.52 -3.46 0.15 -1.26 -4.32 113.70 104.86 3bxx s SER 128 Ca 0.00 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.83 3bxx s SER 128 Cb 0.00 -0.09 1.38 0.00 -1.71 0.00 0.00 66.02 65.60 3bxx s SER 128 CO 0.00 0.04 1.97 0.00 1.20 0.00 0.00 173.24 176.44 3bxx h ALA 129 N 6.20 2.54 0.00 5.45 0.00 -1.86 0.79 119.26 132.38 3bxx h ALA 129 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3bxx h ALA 129 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bxx h ALA 129 CO 0.50 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3bxx n GLY 130 N -1.65 -0.97 0.09 0.00 0.00 -1.26 -1.09 105.19 100.30 3bxx n GLY 130 Ca 0.12 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.83 0.00 -0.06 2.61 -2.24 0.27 -4.54 114.28 109.49 3bxx n THR 131 Ca 0.15 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 3bxx n THR 131 Cb 0.07 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.15 0.70 -1.74 2.28 0.31 -0.25 0.73 118.33 119.20 3bxx n VAL 132 Ca 0.10 -0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 3bxx n VAL 132 Cb 0.32 -1.24 0.16 0.00 -0.91 0.00 0.00 33.84 32.17 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 -3.16 2.39 -4.24 4.52 6.94 -1.14 -3.06 115.26 117.52 3bxx n ASN 133 Ca -0.23 -3.78 -0.43 0.00 -0.02 0.00 0.00 54.58 50.12 3bxx n ASN 133 Cb 0.71 -0.48 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 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 -3.42 4.58 -0.14 1.53 -1.09 -1.26 -4.94 121.20 116.45 3bxx s ILE 134 Ca 0.41 -1.87 -0.25 0.00 -2.23 0.00 0.00 60.65 56.71 3bxx s ILE 134 Cb 0.38 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 37.35 3bxx s ILE 134 CO -0.05 -0.83 0.62 0.00 -1.23 0.00 0.00 174.94 173.45 3bxx s GLN 135 N 1.20 0.87 0.33 2.79 -2.07 -1.26 -2.58 119.66 118.94 3bxx s GLN 135 Ca 0.07 0.52 0.13 0.00 -1.82 0.00 0.00 55.36 54.25 3bxx s GLN 135 Cb -0.25 0.41 1.05 0.00 -1.09 0.00 0.00 33.01 33.13 3bxx s GLN 135 CO -0.01 -0.20 1.64 1.49 -1.32 0.00 0.00 175.29 176.89 3bxx h GLU 136 N 4.13 0.21 -6.37 9.60 4.81 -1.96 -3.34 114.58 121.66 3bxx h GLU 136 Ca -0.28 -0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.25 3bxx h GLU 136 Cb 1.16 -0.05 -0.25 0.00 0.63 0.00 0.00 28.75 30.24 3bxx h GLU 136 CO 0.25 0.14 -0.80 -1.01 -0.73 0.00 0.00 179.01 176.86 3bxx s HIS 137 N -5.71 2.63 0.31 0.92 3.76 -1.26 -5.14 115.29 110.79 3bxx s HIS 137 Ca -0.10 -0.23 -0.27 0.00 -0.15 0.00 0.00 55.06 54.31 3bxx s HIS 137 Cb 0.30 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 32.29 3bxx s HIS 137 CO 0.78 0.13 0.99 -0.65 -0.85 0.00 0.00 174.74 175.15 3bxx s GLN 138 N -0.69 4.60 0.42 1.40 -1.52 -1.26 -5.05 119.66 117.56 3bxx s GLN 138 Ca 0.11 1.49 -0.18 0.00 -1.95 0.00 0.00 55.36 54.82 3bxx s GLN 138 Cb -0.11 -2.95 -0.10 0.00 -0.22 0.00 0.00 33.01 29.63 3bxx s GLN 138 CO 0.00 0.26 0.90 -0.51 -0.25 0.00 0.00 175.29 175.69 3bxx s LEU 139 N -1.81 3.91 0.12 2.90 1.43 -1.26 -5.01 118.68 118.96 3bxx s LEU 139 Ca 0.48 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.94 3bxx s LEU 139 Cb -0.24 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.54 3bxx s LEU 139 CO 0.30 -0.36 1.71 -0.65 0.23 0.00 0.00 176.35 177.58 3bxx h PRO 140 N 1.79 0.38 -6.34 1.29 0.11 -1.92 -3.44 132.00 123.87 3bxx h PRO 140 Ca -0.48 -0.05 -0.65 0.00 0.11 0.00 0.00 66.00 64.93 3bxx h PRO 140 Cb 1.18 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.92 3bxx h PRO 140 CO 0.62 0.34 -0.87 0.08 -0.21 0.00 0.00 178.00 177.96 3bxx s VAL 141 N -5.83 1.86 -0.05 3.15 1.01 -1.26 0.57 120.40 119.85 3bxx s VAL 141 Ca -0.13 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.85 3bxx s VAL 141 Cb 0.09 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3bxx s VAL 141 CO 0.71 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.87 3bxx s TYR 142 N -0.57 1.52 0.39 5.22 2.02 -0.05 -4.96 117.35 120.91 3bxx s TYR 142 Ca 0.09 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 3bxx s TYR 142 Cb -0.09 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3bxx s TYR 142 CO -0.01 -0.22 0.15 -0.40 -1.57 0.00 0.00 175.55 173.50 3bxx n ASP 143 N 3.51 1.12 0.00 2.29 5.68 -1.26 -0.32 116.55 127.58 3bxx n ASP 143 Ca -0.21 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 50.97 3bxx n ASP 143 Cb 0.52 1.04 0.00 0.00 -1.14 0.00 0.00 41.12 41.54 3bxx n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bxx n GLU 144 N -0.88 0.00 0.00 0.11 4.71 -1.26 -1.58 120.64 121.74 3bxx n GLU 144 Ca -0.05 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.48 3bxx n GLU 144 Cb 0.60 -1.64 0.20 0.00 -1.01 0.00 0.00 31.44 29.59 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 -1.22 2.16 -4.58 1.62 3.41 -1.26 -4.87 113.62 108.89 3bxx n SER 145 Ca 0.00 -1.62 -0.39 0.00 -0.26 0.00 0.00 58.87 56.60 3bxx n SER 145 Cb 0.14 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.86 3.14 0.95 0.00 0.52 -1.26 -4.13 118.94 120.02 3bxx s TRP 147 Ca 0.09 -0.03 -0.12 0.00 0.02 0.00 0.00 56.10 56.06 3bxx s TRP 147 Cb -0.16 -1.95 0.06 0.00 -1.15 0.00 0.00 33.47 30.27 3bxx s TRP 147 CO 0.11 0.18 0.57 0.43 0.02 0.00 0.00 176.95 178.26 3bxx n SER 148 N 3.12 -1.55 -4.32 2.95 7.64 0.22 -4.88 113.62 116.81 3bxx n SER 148 Ca -0.17 0.34 -0.45 0.00 1.01 0.00 0.00 58.87 59.60 3bxx n SER 148 Cb 0.53 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.40 3bxx n SER 148 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3bxx s ASP 149 N -2.16 6.11 0.32 6.43 2.15 -1.06 -4.94 116.67 123.52 3bxx s ASP 149 Ca 0.59 -1.69 0.02 0.00 0.43 0.00 0.00 52.55 51.90 3bxx s ASP 149 Cb -0.21 -2.18 0.58 0.00 -0.30 0.00 0.00 42.92 40.81 3bxx s ASP 149 CO 0.65 -0.78 1.92 0.24 -0.17 0.00 0.00 175.17 177.03 3bxx h MET 150 N 8.80 0.93 -0.67 4.34 2.86 -1.92 -2.93 114.93 126.35 3bxx h MET 150 Ca -0.29 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 3bxx h MET 150 Cb 1.10 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 3bxx h MET 150 CO 0.98 0.62 0.13 1.49 1.06 0.00 0.00 176.91 181.18 3bxx h GLU 151 N 0.96 1.08 -0.16 1.72 4.81 -1.98 0.19 114.58 121.20 3bxx h GLU 151 Ca 0.37 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3bxx h GLU 151 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3bxx h GLU 151 CO -0.14 0.98 0.09 0.35 -0.73 0.00 0.00 179.01 179.56 3bxx h PHE 152 N 1.02 0.17 0.85 0.92 3.57 -1.91 -1.48 116.94 120.07 3bxx h PHE 152 Ca 0.21 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3bxx h PHE 152 Cb 0.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3bxx h PHE 152 CO 0.03 0.10 -0.45 0.00 -2.23 0.00 0.00 178.31 175.76 3bxx h ARG 154 N -1.20 0.35 0.17 0.00 2.47 -0.73 0.15 114.38 115.60 3bxx h ARG 154 Ca -0.12 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3bxx h ARG 154 Cb 0.93 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3bxx h ARG 154 CO 0.16 0.23 -0.08 0.00 0.56 0.00 0.00 179.97 180.84 3bxx h ALA 155 N 1.62 -0.23 0.02 0.04 0.00 -1.07 -3.38 119.26 116.26 3bxx h ALA 155 Ca 0.43 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3bxx h ALA 155 Cb 1.10 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3bxx h ALA 155 CO -0.14 -0.63 -0.51 -0.22 0.00 0.00 0.00 179.25 177.75 3bxx h LYS 156 N -0.23 0.05 -5.95 0.00 1.63 0.13 -3.48 116.57 108.71 3bxx h LYS 156 Ca -0.02 -0.08 -0.41 0.00 -0.85 0.00 0.00 60.65 59.29 3bxx h LYS 156 Cb 0.18 0.03 0.10 0.00 -0.60 0.00 0.00 32.23 31.94 3bxx h LYS 156 CO 0.04 1.04 -0.72 1.63 -3.45 0.00 0.00 179.45 177.99 3bxx n LYS 157 N -4.46 -7.08 -1.85 1.90 4.76 0.31 -5.00 118.16 106.74 3bxx n LYS 157 Ca -0.17 0.77 -0.33 0.00 -2.87 0.00 0.00 58.31 55.71 3bxx n LYS 157 Cb 0.60 -5.75 0.03 0.00 -1.84 0.00 0.00 35.03 28.07 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 -6.25 2.99 0.06 1.97 0.23 -1.26 -4.92 119.30 112.11 3bxx s MET 158 Ca 0.50 1.30 -0.32 0.00 -1.03 0.00 0.00 55.69 56.15 3bxx s MET 158 Cb -0.23 -1.98 -0.17 0.00 -1.53 0.00 0.00 34.83 30.92 3bxx s MET 158 CO 0.76 -1.09 0.78 2.41 -2.03 0.00 0.00 175.02 175.85 3bxx n THR 159 N -2.32 0.57 -0.69 3.16 -1.04 -1.26 -2.13 114.28 110.58 3bxx n THR 159 Ca 0.10 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3bxx n THR 159 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.88 0.00 0.28 2.41 0.00 -1.26 -4.99 120.51 117.83 3bxx n ALA 160 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 3bxx n ALA 160 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.61 -0.67 0.00 5.08 -1.78 -2.67 115.95 115.30 3bxx h TRP 161 Ca 0.00 -0.01 0.14 0.00 1.08 0.00 0.00 58.89 60.10 3bxx h TRP 161 Cb 0.00 0.20 -0.11 0.00 -3.00 0.00 0.00 29.16 26.25 3bxx h TRP 161 CO 0.00 -0.37 0.04 0.00 -1.28 0.00 0.00 178.44 176.84 3bxx h MET 162 N -0.69 0.15 -0.53 0.12 -0.00 -1.94 0.15 114.93 112.19 3bxx h MET 162 Ca -0.07 -0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.70 3bxx h MET 162 Cb 0.52 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 3bxx h MET 162 CO 0.11 0.10 0.35 1.88 -0.00 0.00 0.00 176.91 179.35 3bxx h TYR 163 N 0.15 0.40 0.00 -0.10 0.05 -1.89 -1.77 116.97 113.81 3bxx h TYR 163 Ca 0.36 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.97 3bxx h TYR 163 Cb 0.60 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3bxx h TYR 163 CO -0.35 0.21 -0.86 0.74 -1.05 0.00 0.00 178.16 176.85 3bxx h PHE 164 N 0.39 0.05 0.11 4.88 0.04 -0.58 -3.15 116.94 118.68 3bxx h PHE 164 Ca 0.24 -0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.73 3bxx h PHE 164 Cb 0.43 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3bxx h PHE 164 CO -0.00 0.87 -1.26 0.28 -0.60 0.00 0.00 178.31 177.60 3bxx h VAL 165 N 0.02 1.13 -0.51 -0.55 2.07 -1.11 -2.68 116.25 114.61 3bxx h VAL 165 Ca -0.02 -2.42 -0.11 0.00 0.82 0.00 0.00 66.70 64.98 3bxx h VAL 165 Cb 1.50 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 34.06 3bxx h VAL 165 CO 0.11 0.69 -0.11 0.77 0.02 0.00 0.00 177.57 179.05 3bxx h SER 166 N -0.36 0.96 0.61 0.57 4.64 -1.49 0.63 113.55 119.11 3bxx h SER 166 Ca -0.27 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 3bxx h SER 166 Cb 1.70 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3bxx h SER 166 CO 0.06 1.08 -0.29 0.11 -0.87 0.00 0.00 176.83 176.92 3bxx h LYS 167 N 0.86 -0.79 -0.26 4.77 1.79 -1.68 -2.79 116.57 118.46 3bxx h LYS 167 Ca 0.14 0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3bxx h LYS 167 Cb 0.66 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3bxx h LYS 167 CO 0.05 -0.53 -0.16 2.41 -1.08 0.00 0.00 179.45 180.14 3bxx n THR 168 N -4.46 -0.18 -0.33 -0.16 -1.04 -1.01 0.06 114.28 107.16 3bxx n THR 168 Ca -0.10 1.72 0.10 0.00 -2.04 0.00 0.00 64.05 63.73 3bxx n THR 168 Cb 0.32 -2.23 0.27 0.00 -1.82 0.00 0.00 70.33 66.87 3bxx n THR 168 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3bxx h LEU 169 N 0.00 0.69 -0.34 -4.42 3.38 0.14 0.26 115.31 115.02 3bxx h LEU 169 Ca 0.04 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3bxx h LEU 169 Cb 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3bxx h LEU 169 CO -0.25 0.28 -0.02 0.00 0.09 0.00 0.00 178.44 178.54 3bxx h ALA 170 N 1.59 0.46 -0.23 1.53 0.00 -1.06 0.40 119.26 121.95 3bxx h ALA 170 Ca 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3bxx h ALA 170 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3bxx h ALA 170 CO -0.36 0.24 0.15 1.49 0.00 0.00 0.00 179.25 180.77 3bxx h GLU 171 N 0.41 0.30 -0.35 0.00 4.81 0.91 -2.17 114.58 118.48 3bxx h GLU 171 Ca 0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3bxx h GLU 171 Cb 0.49 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3bxx h GLU 171 CO 0.02 0.20 0.20 1.96 -0.73 0.00 0.00 179.01 180.66 3bxx h GLN 172 N 0.31 0.39 0.00 1.92 4.20 -0.15 -1.59 115.11 120.19 3bxx h GLN 172 Ca 0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3bxx h GLN 172 Cb -0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3bxx h GLN 172 CO -0.02 0.26 -0.23 0.00 -0.67 0.00 0.00 178.83 178.17 3bxx h ALA 173 N 1.17 1.34 0.12 3.87 0.00 -1.00 -1.79 119.26 122.97 3bxx h ALA 173 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3bxx h ALA 173 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bxx h ALA 173 CO -0.08 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 3bxx h ALA 174 N 1.77 -0.16 -0.31 0.00 0.00 -1.06 -1.07 119.26 118.42 3bxx h ALA 174 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bxx h ALA 174 Cb 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3bxx h ALA 174 CO 0.03 -0.28 0.18 -1.49 0.00 0.00 0.00 179.25 177.69 3bxx h TRP 175 N -0.78 0.41 -0.49 0.00 4.06 -1.23 0.77 115.95 118.70 3bxx h TRP 175 Ca -0.02 -0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.03 3bxx h TRP 175 Cb 0.55 -0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 28.48 3bxx h TRP 175 CO 0.10 0.31 -0.17 -0.22 -3.56 0.00 0.00 178.44 174.90 3bxx h LYS 176 N 0.40 -0.05 -0.04 0.49 3.64 -1.39 -1.76 116.57 117.85 3bxx h LYS 176 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3bxx h LYS 176 Cb 0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3bxx h LYS 176 CO -0.02 -0.03 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.21 3bxx h TYR 177 N -0.05 0.08 0.06 1.91 5.03 0.13 -2.53 116.97 121.60 3bxx h TYR 177 Ca 0.23 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.54 3bxx h TYR 177 Cb 0.41 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 3bxx h TYR 177 CO -0.45 0.36 -0.34 0.00 -1.32 0.00 0.00 178.16 176.41 3bxx h ALA 178 N 0.71 -0.83 -0.68 1.82 0.00 0.97 -2.28 119.26 118.97 3bxx h ALA 178 Ca 0.01 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3bxx h ALA 178 Cb 0.33 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3bxx h ALA 178 CO 0.00 -0.91 -0.22 -0.22 0.00 0.00 0.00 179.25 177.89 3bxx h LYS 179 N -0.47 -0.04 -0.13 0.00 1.63 -1.42 0.44 116.57 116.58 3bxx h LYS 179 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3bxx h LYS 179 Cb 0.48 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3bxx h LYS 179 CO -0.20 -0.03 0.11 0.93 -3.45 0.00 0.00 179.45 176.82 3bxx h GLU 180 N -0.04 0.00 -0.05 1.90 5.08 -0.96 -2.03 114.58 118.47 3bxx h GLU 180 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3bxx h GLU 180 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3bxx h GLU 180 CO -0.72 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.38 3bxx n ASN 181 N -4.16 2.35 -4.37 1.42 3.02 -0.75 -5.02 115.26 107.74 3bxx n ASN 181 Ca 0.00 -2.45 -0.39 0.00 -0.03 0.00 0.00 54.58 51.71 3bxx n ASN 181 Cb 0.23 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 3bxx n ASN 181 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bxx n ASN 182 N -0.73 -2.60 -4.76 6.41 4.13 0.14 -4.94 115.26 112.92 3bxx n ASN 182 Ca 0.08 -1.12 -0.41 0.00 1.68 0.00 0.00 54.58 54.81 3bxx n ASN 182 Cb 0.45 -2.23 -0.03 0.00 -1.54 0.00 0.00 39.78 36.43 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bxx s ILE 183 N -3.28 3.27 0.05 2.41 1.01 -0.64 -4.99 121.20 119.03 3bxx s ILE 183 Ca 0.78 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3bxx s ILE 183 Cb -0.44 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3bxx s ILE 183 CO 0.97 0.28 1.00 -0.62 0.00 0.00 0.00 174.94 176.57 3bxx s ASP 184 N -0.58 7.38 0.01 3.58 -1.08 -1.26 -4.65 116.67 120.07 3bxx s ASP 184 Ca 0.47 1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 54.21 3bxx s ASP 184 Cb -0.34 -2.58 -0.00 0.00 -1.46 0.00 0.00 42.92 38.53 3bxx s ASP 184 CO 0.44 -0.21 0.10 0.12 0.52 0.00 0.00 175.17 176.14 3bxx s PHE 185 N 0.60 0.08 0.01 -5.34 5.36 -1.26 -3.29 117.98 114.15 3bxx s PHE 185 Ca 0.51 -0.21 -0.03 0.00 -0.96 0.00 0.00 56.93 56.24 3bxx s PHE 185 Cb -0.23 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.37 3bxx s PHE 185 CO 0.29 -0.27 0.05 0.42 -1.46 0.00 0.00 175.22 174.25 3bxx s ILE 186 N -1.39 0.08 0.07 3.12 -1.09 -0.06 -4.36 121.20 117.57 3bxx s ILE 186 Ca -0.15 -0.68 0.09 0.00 -2.23 0.00 0.00 60.65 57.68 3bxx s ILE 186 Cb -0.08 -0.30 -0.03 0.00 -1.58 0.00 0.00 42.46 40.47 3bxx s ILE 186 CO 0.01 -0.37 -0.24 0.42 -1.23 0.00 0.00 174.94 173.53 3bxx s THR 187 N -1.18 1.95 -0.07 2.92 -4.23 -1.19 0.12 115.64 113.96 3bxx s THR 187 Ca -0.13 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 3bxx s THR 187 Cb -0.08 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 3bxx s THR 187 CO 0.00 0.21 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.49 3bxx s ILE 188 N -0.89 2.82 -0.45 2.99 1.01 -0.34 -1.86 121.20 124.47 3bxx s ILE 188 Ca 0.10 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 3bxx s ILE 188 Cb -0.10 -2.11 0.08 0.00 0.01 0.00 0.00 42.46 40.35 3bxx s ILE 188 CO 0.03 0.57 0.32 -0.63 0.00 0.00 0.00 174.94 175.23 3bxx s ILE 189 N -0.38 4.64 0.92 2.92 1.09 0.70 0.86 121.20 131.96 3bxx s ILE 189 Ca 0.04 -1.29 -0.12 0.00 -1.10 0.00 0.00 60.65 58.18 3bxx s ILE 189 Cb -0.12 -3.83 0.15 0.00 -1.06 0.00 0.00 42.46 37.60 3bxx s ILE 189 CO 0.02 -0.56 1.09 -2.84 -0.10 0.00 0.00 174.94 172.56 3bxx s PRO 190 N 1.51 1.02 0.00 2.79 0.02 -1.26 -0.83 135.00 138.25 3bxx s PRO 190 Ca 0.04 0.75 0.00 0.00 0.02 0.00 0.00 61.00 61.80 3bxx s PRO 190 Cb -0.24 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3bxx s PRO 190 CO 0.04 -2.38 0.00 0.25 -0.33 0.00 0.00 177.00 174.57 3bxx n THR 191 N -3.97 0.00 -1.94 0.99 -2.24 -0.67 -2.91 114.28 103.55 3bxx n THR 191 Ca 0.07 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 3bxx n THR 191 Cb 0.56 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 3.31 -0.25 3.22 2.96 0.36 -4.70 118.68 123.59 3bxx s LEU 192 Ca 0.00 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 3bxx s LEU 192 Cb 0.00 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.18 3bxx s LEU 192 CO 0.00 -2.49 1.08 -0.69 -1.32 0.00 0.00 176.35 172.92 3bxx s VAL 193 N 9.78 4.59 0.13 1.68 1.01 -1.26 -3.40 120.40 132.92 3bxx s VAL 193 Ca 0.74 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.68 3bxx s VAL 193 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3bxx s VAL 193 CO 0.22 -0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 3bxx s VAL 194 N 3.36 1.44 -4.26 2.92 1.01 -0.80 -4.63 120.40 119.45 3bxx s VAL 194 Ca 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.69 3bxx s VAL 194 Cb -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3bxx s VAL 194 CO 0.09 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.43 3bxx n GLY 195 N 0.52 -0.52 3.49 4.51 0.00 -1.24 -1.64 105.19 110.31 3bxx n GLY 195 Ca -0.15 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3bxx n GLY 195 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bxx n PRO 196 N 0.00 0.69 -3.67 1.61 -0.04 -1.26 0.65 135.00 132.99 3bxx n PRO 196 Ca 0.00 -2.96 -0.11 0.00 -0.04 0.00 0.00 63.50 60.40 3bxx n PRO 196 Cb 0.00 0.04 -0.05 0.00 -0.04 0.00 0.00 33.50 33.44 3bxx n PRO 196 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3bxx s PHE 197 N -2.35 -0.18 -0.05 0.54 -0.12 -1.26 -4.94 117.98 109.62 3bxx s PHE 197 Ca 0.43 -0.08 0.14 0.00 -0.05 0.00 0.00 56.93 57.36 3bxx s PHE 197 Cb -0.03 0.21 -0.21 0.00 -0.63 0.00 0.00 43.02 42.36 3bxx s PHE 197 CO 0.27 -0.65 0.25 0.44 -0.05 0.00 0.00 175.22 175.48 3bxx n ILE 198 N -0.00 0.23 -0.63 -4.49 -5.35 -1.26 -4.98 119.36 102.87 3bxx n ILE 198 Ca -0.17 -0.39 -0.31 0.00 -0.27 0.00 0.00 62.75 61.61 3bxx n ILE 198 Cb 0.62 -0.03 0.19 0.00 -1.74 0.00 0.00 39.64 38.68 3bxx n ILE 198 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 3bxx n MET 199 N -2.12 -1.59 -0.00 6.28 0.00 -1.26 -4.81 117.12 113.62 3bxx n MET 199 Ca -0.07 -0.43 0.04 0.00 0.00 0.00 0.00 57.70 57.23 3bxx n MET 199 Cb 0.52 -1.92 -0.04 0.00 0.00 0.00 0.00 33.22 31.77 3bxx n MET 199 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3bxx n SER 200 N -2.86 0.79 -4.65 3.17 7.64 -1.26 -4.98 113.62 111.47 3bxx n SER 200 Ca 0.03 -0.57 -0.28 0.00 1.01 0.00 0.00 58.87 59.06 3bxx n SER 200 Cb 0.57 1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 64.73 3bxx n SER 200 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bxx s SER 201 N -1.88 3.99 0.08 6.43 1.04 -1.26 -5.05 113.70 117.05 3bxx s SER 201 Ca 0.02 -1.35 -0.31 0.00 0.48 0.00 0.00 55.95 54.80 3bxx s SER 201 Cb 0.05 -0.33 -0.08 0.00 0.10 0.00 0.00 66.02 65.77 3bxx s SER 201 CO 0.31 -0.50 1.48 -0.32 0.98 0.00 0.00 173.24 175.19 3bxx s MET 202 N -3.76 4.26 0.46 4.02 1.75 -1.26 -4.99 119.30 119.79 3bxx s MET 202 Ca 0.34 2.14 -0.23 0.00 -1.25 0.00 0.00 55.69 56.70 3bxx s MET 202 Cb 0.08 -3.42 -0.07 0.00 2.84 0.00 0.00 34.83 34.25 3bxx s MET 202 CO 0.18 -0.58 1.14 -2.14 -0.65 0.00 0.00 175.02 172.97 3bxx s PRO 203 N 1.89 3.77 0.21 4.11 0.02 -1.26 -4.95 135.00 138.79 3bxx s PRO 203 Ca 0.67 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 3bxx s PRO 203 Cb -0.37 -2.36 0.16 0.00 0.02 0.00 0.00 34.50 31.95 3bxx s PRO 203 CO 0.30 -0.52 1.84 -1.35 -0.33 0.00 0.00 177.00 176.94 3bxx h PRO 204 N 1.99 1.09 0.00 5.54 0.11 -2.00 -2.23 132.00 136.50 3bxx h PRO 204 Ca -0.49 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 3bxx h PRO 204 Cb 1.24 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3bxx h PRO 204 CO 0.60 0.79 -0.04 0.66 -0.21 0.00 0.00 178.00 179.81 3bxx h SER 205 N 1.09 0.00 0.71 -2.05 4.64 -1.93 -0.79 113.55 115.22 3bxx h SER 205 Ca 0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 3bxx h SER 205 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3bxx h SER 205 CO -0.05 0.04 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.63 3bxx h LEU 206 N 0.00 0.00 -0.21 5.97 3.38 -1.73 0.71 115.31 123.42 3bxx h LEU 206 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3bxx h LEU 206 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3bxx h LEU 206 CO 0.00 0.25 -0.03 0.40 0.09 0.00 0.00 178.44 179.15 3bxx h ILE 207 N 0.00 1.27 0.00 1.22 2.04 -0.55 -2.97 117.51 118.53 3bxx h ILE 207 Ca -0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3bxx h ILE 207 Cb 0.67 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3bxx h ILE 207 CO 0.03 0.30 0.00 0.41 0.00 0.00 0.00 178.15 178.89 3bxx n THR 208 N -4.63 0.00 0.33 -0.27 -1.04 -1.12 -2.94 114.28 104.61 3bxx n THR 208 Ca -0.04 1.39 0.20 0.00 -2.04 0.00 0.00 64.05 63.56 3bxx n THR 208 Cb 0.26 -2.24 1.07 0.00 -1.82 0.00 0.00 70.33 67.60 3bxx n THR 208 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bxx h ALA 209 N -1.77 1.10 -0.62 2.41 0.00 -0.94 0.48 119.26 119.92 3bxx h ALA 209 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bxx h ALA 209 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bxx h ALA 209 CO 0.00 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 3bxx n LEU 210 N -2.98 3.32 -0.31 0.00 4.77 -1.12 -4.53 117.00 116.15 3bxx n LEU 210 Ca -0.03 -1.66 0.04 0.00 -0.03 0.00 0.00 56.01 54.34 3bxx n LEU 210 Cb 0.16 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.03 3bxx n LEU 210 CO 0.17 0.83 1.17 0.77 -1.33 0.00 0.00 177.39 179.00 3bxx h SER 211 N 3.63 0.74 0.37 -1.43 4.64 0.10 -2.47 113.55 119.13 3bxx h SER 211 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3bxx h SER 211 Cb 0.83 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3bxx h SER 211 CO 0.00 0.41 0.00 -0.81 -0.87 0.00 0.00 176.83 175.56 3bxx n PRO 212 N -4.71 0.23 -0.08 4.77 -0.05 -1.26 0.14 135.00 134.03 3bxx n PRO 212 Ca 0.15 0.12 -0.09 0.00 -0.05 0.00 0.00 63.50 63.64 3bxx n PRO 212 Cb 0.31 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.22 3bxx n PRO 212 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3bxx n ILE 213 N -1.31 1.45 0.08 0.52 5.41 -1.07 -4.27 119.36 120.18 3bxx n ILE 213 Ca 0.08 0.15 -0.08 0.00 1.00 0.00 0.00 62.75 63.90 3bxx n ILE 213 Cb 0.15 -2.31 0.02 0.00 -0.71 0.00 0.00 39.64 36.79 3bxx n ILE 213 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3bxx h THR 214 N -1.00 1.47 -1.17 1.39 1.35 -1.08 -3.45 112.91 110.41 3bxx h THR 214 Ca -0.08 -2.48 -0.07 0.00 -0.55 0.00 0.00 66.41 63.23 3bxx h THR 214 Cb 0.73 2.36 0.01 0.00 -1.73 0.00 0.00 68.15 69.53 3bxx h THR 214 CO -0.05 0.72 -0.11 0.61 -0.25 0.00 0.00 175.52 176.45 3bxx n GLY 215 N 0.74 0.46 3.49 5.82 0.00 0.36 -4.97 105.19 111.10 3bxx n GLY 215 Ca -0.03 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3bxx n GLY 215 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bxx s ASN 216 N -2.94 6.85 0.45 1.61 3.84 -1.24 -4.96 114.94 118.55 3bxx s ASN 216 Ca 0.05 -2.49 0.25 0.00 0.21 0.00 0.00 52.86 50.88 3bxx s ASN 216 Cb -0.02 -2.45 0.89 0.00 -0.55 0.00 0.00 41.25 39.12 3bxx s ASN 216 CO 0.06 -0.98 1.81 1.05 -2.79 0.00 0.00 177.10 176.25 3bxx h GLU 217 N 7.95 0.00 -0.46 0.43 -0.00 -1.93 -2.80 114.58 117.77 3bxx h GLU 217 Ca 0.28 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.78 3bxx h GLU 217 Cb 0.93 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.66 3bxx h GLU 217 CO 1.26 0.18 0.46 0.00 -0.00 0.00 0.00 179.01 180.92 3bxx h ALA 218 N 1.82 2.21 -0.06 1.06 0.00 -2.00 -0.66 119.26 121.62 3bxx h ALA 218 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bxx h ALA 218 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3bxx h ALA 218 CO 0.02 -0.70 0.00 0.72 0.00 0.00 0.00 179.25 179.29 3bxx n HIS 219 N -3.79 0.07 0.15 0.00 8.25 -1.06 -3.98 115.22 114.86 3bxx n HIS 219 Ca 0.08 -0.04 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 3bxx n HIS 219 Cb 0.65 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.84 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 1.37 0.00 0.23 4.41 -1.99 -1.32 -3.29 116.97 116.38 3bxx h TYR 220 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 3bxx h TYR 220 Cb 0.30 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 3bxx h TYR 220 CO 0.04 0.46 -0.39 0.66 -0.00 0.00 0.00 178.16 178.92 3bxx h SER 221 N 0.00 -1.12 0.23 3.88 4.64 -1.77 -2.40 113.55 117.01 3bxx h SER 221 Ca -0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3bxx h SER 221 Cb 1.30 0.40 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3bxx h SER 221 CO 0.06 -0.50 -0.04 0.40 -0.87 0.00 0.00 176.83 175.89 3bxx h ILE 222 N -0.70 0.30 0.00 0.95 2.04 -1.83 -3.00 117.51 115.27 3bxx h ILE 222 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3bxx h ILE 222 Cb 0.68 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3bxx h ILE 222 CO -0.16 0.04 -0.00 2.30 0.00 0.00 0.00 178.15 180.32 3bxx n ILE 223 N -3.44 1.28 -0.02 -0.67 -5.35 -1.21 -4.40 119.36 105.56 3bxx n ILE 223 Ca -0.02 -1.40 -0.13 0.00 -0.27 0.00 0.00 62.75 60.92 3bxx n ILE 223 Cb 0.15 0.26 -0.10 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.00 0.06 -2.88 6.28 2.43 -1.27 -3.20 114.38 115.80 3bxx h ARG 224 Ca 0.00 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.52 3bxx h ARG 224 Cb 0.66 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 29.80 3bxx h ARG 224 CO 0.00 0.56 -0.61 1.04 -1.51 0.00 0.00 179.97 179.45 3bxx n GLN 225 N -4.79 1.82 -3.39 0.20 6.02 -1.26 -0.66 117.38 115.31 3bxx n GLN 225 Ca -0.08 -4.41 -0.26 0.00 -0.01 0.00 0.00 57.00 52.23 3bxx n GLN 225 Cb 0.28 -2.23 -0.02 0.00 1.02 0.00 0.00 30.24 29.29 3bxx n GLN 225 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3bxx s GLY 226 N -1.53 1.60 -0.01 1.08 0.00 -0.82 -4.67 107.32 102.97 3bxx s GLY 226 Ca 0.28 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.27 3bxx s GLY 226 CO -0.15 -0.68 -0.10 1.20 0.00 0.00 0.00 173.10 173.37 3bxx s GLN 227 N -3.89 0.85 0.03 2.90 1.11 -1.26 -2.64 119.66 116.75 3bxx s GLN 227 Ca 0.41 -0.34 0.03 0.00 0.01 0.00 0.00 55.36 55.47 3bxx s GLN 227 Cb -0.10 -0.81 -0.02 0.00 -1.01 0.00 0.00 33.01 31.07 3bxx s GLN 227 CO 0.33 0.19 -0.09 -0.06 0.01 0.00 0.00 175.29 175.67 3bxx s PHE 228 N -0.13 0.77 -0.00 0.91 0.40 -1.00 -0.49 117.98 118.44 3bxx s PHE 228 Ca 0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3bxx s PHE 228 Cb -0.05 -0.47 0.01 0.00 0.51 0.00 0.00 43.02 43.02 3bxx s PHE 228 CO -0.00 -0.03 0.00 0.54 0.70 0.00 0.00 175.22 176.43 3bxx s VAL 229 N -0.89 0.00 0.40 -0.44 0.11 -1.22 -1.76 120.40 116.60 3bxx s VAL 229 Ca -0.03 0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 3bxx s VAL 229 Cb -0.07 -0.03 -0.09 0.00 -1.53 0.00 0.00 36.38 34.66 3bxx s VAL 229 CO 0.00 0.02 1.24 -2.28 -3.33 0.00 0.00 175.10 170.75 3bxx s HIS 230 N 0.20 2.94 0.15 1.54 2.46 -1.25 -1.90 115.29 119.43 3bxx s HIS 230 Ca -0.02 1.48 -0.17 0.00 0.47 0.00 0.00 55.06 56.83 3bxx s HIS 230 Cb -0.03 -3.54 0.05 0.00 -0.13 0.00 0.00 32.58 28.93 3bxx s HIS 230 CO -0.01 -1.72 1.74 1.25 -2.47 0.00 0.00 174.74 173.53 3bxx h LEU 231 N 2.68 0.08 -0.90 8.88 5.85 -1.66 -1.09 115.31 129.15 3bxx h LEU 231 Ca -0.49 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 3bxx h LEU 231 Cb 1.24 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3bxx h LEU 231 CO 0.63 0.08 -0.03 -0.78 -0.34 0.00 0.00 178.44 178.00 3bxx h ASP 232 N 0.23 0.76 -0.12 1.25 3.58 -1.90 0.35 116.42 120.57 3bxx h ASP 232 Ca 0.15 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 3bxx h ASP 232 Cb 0.15 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3bxx h ASP 232 CO -0.18 0.84 0.04 0.44 -2.88 0.00 0.00 179.24 177.50 3bxx h ASP 233 N 0.73 0.17 -0.27 2.28 3.32 -1.83 0.12 116.42 120.93 3bxx h ASP 233 Ca 0.14 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3bxx h ASP 233 Cb 0.48 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 3bxx h ASP 233 CO 0.02 0.33 -0.11 0.25 -1.72 0.00 0.00 179.24 178.01 3bxx h LEU 234 N 0.01 -0.39 -0.26 1.55 5.85 -0.60 0.71 115.31 122.18 3bxx h LEU 234 Ca 0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3bxx h LEU 234 Cb 0.21 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3bxx h LEU 234 CO -0.00 -0.15 0.03 0.00 -0.34 0.00 0.00 178.44 177.98 3bxx h ASN 236 N 0.23 0.52 -0.45 0.00 -0.26 -0.64 -2.43 115.58 112.55 3bxx h ASN 236 Ca 0.08 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3bxx h ASN 236 Cb 0.36 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 3bxx h ASN 236 CO 0.01 0.29 0.11 0.00 -1.06 0.00 0.00 177.43 176.78 3bxx h ALA 237 N 1.63 0.59 -0.60 -0.83 0.00 0.81 0.63 119.26 121.48 3bxx h ALA 237 Ca 0.37 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3bxx h ALA 237 Cb 0.67 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3bxx h ALA 237 CO -0.14 0.27 0.08 0.45 0.00 0.00 0.00 179.25 179.91 3bxx h HIS 238 N 0.59 0.11 -0.15 0.00 3.86 -1.14 0.21 115.15 118.62 3bxx h HIS 238 Ca 0.14 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3bxx h HIS 238 Cb 0.31 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 3bxx h HIS 238 CO 0.02 -0.09 -0.05 0.82 0.86 0.00 0.00 177.93 179.49 3bxx h ILE 239 N 0.20 1.30 -0.09 2.45 2.04 -0.89 -1.42 117.51 121.11 3bxx h ILE 239 Ca 0.32 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3bxx h ILE 239 Cb 0.50 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 3bxx h ILE 239 CO -0.45 0.31 -0.50 0.22 0.00 0.00 0.00 178.15 177.73 3bxx h TYR 240 N -0.01 -1.48 0.00 1.37 5.03 0.41 -1.70 116.97 120.60 3bxx h TYR 240 Ca 0.04 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.40 3bxx h TYR 240 Cb 0.50 0.66 0.00 0.00 1.55 0.00 0.00 36.73 39.44 3bxx h TYR 240 CO 0.06 -0.51 0.00 -0.07 -1.32 0.00 0.00 178.16 176.32 3bxx h LEU 241 N -0.56 0.00 0.07 2.82 3.38 -0.55 0.81 115.31 121.29 3bxx h LEU 241 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3bxx h LEU 241 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 3bxx h LEU 241 CO -0.38 0.00 -0.45 0.15 0.09 0.00 0.00 178.44 177.85 3bxx h PHE 242 N 0.00 0.31 0.00 1.13 3.57 -1.11 -3.37 116.94 117.47 3bxx h PHE 242 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3bxx h PHE 242 Cb 0.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3bxx h PHE 242 CO 0.00 1.16 0.00 0.39 -2.23 0.00 0.00 178.31 177.63 3bxx n GLU 243 N -4.35 0.15 -3.41 1.11 1.02 -0.63 -4.78 120.64 109.75 3bxx n GLU 243 Ca -0.12 0.09 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 3bxx n GLU 243 Cb 0.66 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.81 6.04 0.00 1.62 3.84 0.19 -4.99 114.94 118.82 3bxx s ASN 244 Ca 0.16 -1.56 0.00 0.00 0.21 0.00 0.00 52.86 51.67 3bxx s ASN 244 Cb 0.15 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 3bxx s ASN 244 CO 0.39 -0.70 0.95 -2.65 -2.79 0.00 0.00 177.10 172.29 3bxx n PRO 245 N 5.14 0.00 -0.60 0.43 -0.02 -1.26 -1.90 135.00 136.80 3bxx n PRO 245 Ca -0.12 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 3bxx n PRO 245 Cb 0.42 -1.51 0.23 0.00 -0.02 0.00 0.00 33.50 32.62 3bxx n PRO 245 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3bxx n LYS 246 N -1.45 2.44 -2.65 -0.52 -0.00 -1.26 -4.97 118.16 109.76 3bxx n LYS 246 Ca 0.00 -2.97 -0.36 0.00 -0.00 0.00 0.00 58.31 54.98 3bxx n LYS 246 Cb 0.01 -1.84 -0.05 0.00 -0.00 0.00 0.00 35.03 33.16 3bxx n LYS 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3bxx s ALA 247 N -3.01 3.09 0.21 0.58 0.00 -0.80 -5.07 121.76 116.77 3bxx s ALA 247 Ca 0.43 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3bxx s ALA 247 Cb 0.37 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 20.30 3bxx s ALA 247 CO 0.05 -0.07 0.60 -1.83 0.00 0.00 0.00 175.76 174.51 3bxx s GLU 248 N -2.57 1.46 3.77 0.00 4.04 -1.26 -5.08 118.70 119.07 3bxx s GLU 248 Ca 0.57 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.80 3bxx s GLU 248 Cb -0.19 0.56 0.00 0.00 0.02 0.00 0.00 34.13 34.53 3bxx s GLU 248 CO 0.24 -0.64 0.00 0.41 -1.84 0.00 0.00 175.26 173.43 3bxx n GLY 249 N -0.38 2.25 3.91 -3.83 0.00 -1.26 -4.80 105.19 101.08 3bxx n GLY 249 Ca -0.10 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 3.37 -0.11 1.61 0.52 -1.26 -3.20 118.95 119.87 3bxx s ARG 250 Ca 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.25 3bxx s ARG 250 Cb 0.00 -2.37 0.05 0.00 0.52 0.00 0.00 34.95 33.15 3bxx s ARG 250 CO 0.00 -0.31 0.24 0.71 0.02 0.00 0.00 175.30 175.96 3bxx s TYR 251 N -2.77 -0.34 0.55 -0.53 2.02 -0.78 -4.93 117.35 110.57 3bxx s TYR 251 Ca 0.49 0.82 -0.15 0.00 -0.37 0.00 0.00 57.07 57.86 3bxx s TYR 251 Cb -0.10 -0.00 -0.06 0.00 -0.40 0.00 0.00 41.96 41.39 3bxx s TYR 251 CO 0.44 -0.27 1.00 0.42 -1.57 0.00 0.00 175.55 175.57 3bxx s ILE 252 N 1.69 4.58 -0.46 2.71 -1.09 -1.26 -0.22 121.20 127.15 3bxx s ILE 252 Ca -0.05 1.09 0.06 0.00 -2.23 0.00 0.00 60.65 59.52 3bxx s ILE 252 Cb -0.11 -3.76 0.18 0.00 -1.58 0.00 0.00 42.46 37.18 3bxx s ILE 252 CO -0.08 -0.85 0.58 0.00 -1.23 0.00 0.00 174.94 173.36 3bxx s SER 254 N 0.95 1.14 0.00 0.00 0.15 -1.26 -1.67 113.70 113.00 3bxx s SER 254 Ca 0.26 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.88 3bxx s SER 254 Cb -0.02 -0.52 0.24 0.00 -1.71 0.00 0.00 66.02 64.00 3bxx s SER 254 CO -0.08 -0.04 1.11 -1.54 1.20 0.00 0.00 173.24 173.89 3bxx n SER 255 N 4.06 2.62 -3.61 5.45 3.41 -0.73 -4.30 113.62 120.51 3bxx n SER 255 Ca -0.24 -1.78 -0.15 0.00 -0.26 0.00 0.00 58.87 56.44 3bxx n SER 255 Cb 0.51 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.06 -0.63 -0.11 7.33 3.76 -1.07 -4.96 115.29 118.55 3bxx s HIS 256 Ca 0.22 1.33 -0.03 0.00 -0.15 0.00 0.00 55.06 56.42 3bxx s HIS 256 Cb 0.13 0.29 0.05 0.00 1.11 0.00 0.00 32.58 34.16 3bxx s HIS 256 CO 0.18 -0.45 0.14 0.16 -0.85 0.00 0.00 174.74 173.92 3bxx s ASP 257 N -0.44 1.16 0.22 1.40 -4.77 -1.26 -2.38 116.67 110.60 3bxx s ASP 257 Ca -0.06 0.06 -0.16 0.00 -3.30 0.00 0.00 52.55 49.09 3bxx s ASP 257 Cb -0.03 0.14 0.01 0.00 -1.09 0.00 0.00 42.92 41.95 3bxx s ASP 257 CO 0.05 -0.27 0.53 0.00 0.70 0.00 0.00 175.17 176.17 3bxx s ILE 259 N -3.93 4.84 0.47 0.00 -4.36 -1.26 -1.95 121.20 115.01 3bxx s ILE 259 Ca 0.14 0.44 0.19 0.00 -0.26 0.00 0.00 60.65 61.16 3bxx s ILE 259 Cb -0.01 -3.85 0.37 0.00 1.25 0.00 0.00 42.46 40.22 3bxx s ILE 259 CO 0.02 -0.88 1.94 -0.29 0.24 0.00 0.00 174.94 175.98 3bxx h ILE 260 N 0.20 0.77 -0.94 8.37 2.10 -0.88 -1.10 117.51 126.03 3bxx h ILE 260 Ca -0.46 -0.09 0.10 0.00 1.08 0.00 0.00 64.86 65.49 3bxx h ILE 260 Cb 1.20 0.48 -0.08 0.00 -1.09 0.00 0.00 36.82 37.33 3bxx h ILE 260 CO 0.62 0.05 0.58 0.25 -1.08 0.00 0.00 178.15 178.57 3bxx h LEU 261 N 0.26 0.87 -0.02 2.19 5.85 -1.91 0.70 115.31 123.25 3bxx h LEU 261 Ca 0.33 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 3bxx h LEU 261 Cb 0.93 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.83 3bxx h LEU 261 CO -0.08 0.50 -0.34 0.44 -0.34 0.00 0.00 178.44 178.62 3bxx h ASP 262 N 0.97 0.33 0.07 1.25 5.19 -1.59 0.19 116.42 122.84 3bxx h ASP 262 Ca 0.45 -0.74 0.02 0.00 -0.62 0.00 0.00 57.03 56.14 3bxx h ASP 262 Cb 0.37 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 3bxx h ASP 262 CO -0.24 1.02 -0.52 0.25 -3.12 0.00 0.00 179.24 176.64 3bxx h LEU 263 N -0.32 -1.58 -0.29 1.55 5.85 -1.52 0.49 115.31 119.48 3bxx h LEU 263 Ca -0.04 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3bxx h LEU 263 Cb 1.06 0.59 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 3bxx h LEU 263 CO 0.07 -0.54 -0.30 0.00 -0.34 0.00 0.00 178.44 177.33 3bxx h ALA 264 N -0.43 -0.20 0.19 1.25 0.00 -0.78 0.59 119.26 119.87 3bxx h ALA 264 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bxx h ALA 264 Cb 0.74 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 3bxx h ALA 264 CO -0.32 -0.72 -0.42 -0.22 0.00 0.00 0.00 179.25 177.58 3bxx h LYS 265 N -0.28 -0.67 -0.96 0.00 3.64 -0.48 0.37 116.57 118.19 3bxx h LYS 265 Ca 0.15 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.80 3bxx h LYS 265 Cb 0.52 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.37 3bxx h LYS 265 CO -0.45 -0.45 0.53 1.98 -2.27 0.00 0.00 179.45 178.79 3bxx h MET 266 N -0.70 0.53 0.11 1.90 4.05 0.19 -0.42 114.93 120.59 3bxx h MET 266 Ca 0.01 -0.03 -0.27 0.00 -0.28 0.00 0.00 59.70 59.13 3bxx h MET 266 Cb 0.69 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 3bxx h MET 266 CO -0.20 0.35 -1.22 -0.07 0.23 0.00 0.00 176.91 176.00 3bxx h LEU 267 N 0.55 0.38 -0.82 3.39 3.38 0.65 -3.08 115.31 119.76 3bxx h LEU 267 Ca 0.60 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3bxx h LEU 267 Cb 1.11 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3bxx h LEU 267 CO -0.48 1.32 0.52 0.03 0.09 0.00 0.00 178.44 179.92 3bxx h ARG 268 N 0.07 0.95 -0.19 1.13 3.08 0.13 0.20 114.38 119.75 3bxx h ARG 268 Ca -0.12 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 3bxx h ARG 268 Cb 1.95 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 3bxx h ARG 268 CO 0.20 0.63 -0.04 0.93 -1.07 0.00 0.00 179.97 180.62 3bxx h GLU 269 N 0.98 0.36 0.34 0.04 5.08 -1.37 -3.29 114.58 116.72 3bxx h GLU 269 Ca 0.34 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3bxx h GLU 269 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3bxx h GLU 269 CO -0.14 0.61 -0.27 0.87 -1.00 0.00 0.00 179.01 179.09 3bxx h LYS 270 N 0.08 -0.56 -3.05 2.33 1.79 -1.41 -3.39 116.57 112.35 3bxx h LYS 270 Ca 0.05 0.04 -0.70 0.00 -2.18 0.00 0.00 60.65 57.86 3bxx h LYS 270 Cb 0.47 0.13 -0.36 0.00 -1.58 0.00 0.00 32.23 30.89 3bxx h LYS 270 CO 0.02 -0.38 -0.08 0.66 -1.08 0.00 0.00 179.45 178.59 3bxx n TYR 271 N -3.97 3.81 0.31 -1.35 4.01 0.69 -4.92 117.16 115.75 3bxx n TYR 271 Ca -0.07 -3.94 0.18 0.00 -0.16 0.00 0.00 57.90 53.91 3bxx n TYR 271 Cb 0.26 -1.02 1.01 0.00 -0.31 0.00 0.00 39.34 39.27 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 5.55 0.00 0.00 -0.72 0.13 -1.77 -2.64 132.00 132.54 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 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3bxx h PRO 272 CO 0.91 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 3bxx n GLU 273 N -3.57 0.05 -4.09 0.86 0.00 -1.26 -4.61 120.64 108.02 3bxx n GLU 273 Ca -0.03 0.18 -0.35 0.00 0.00 0.00 0.00 57.16 56.97 3bxx n GLU 273 Cb 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.90 3bxx n GLU 273 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3bxx s TYR 274 N -2.92 2.98 -1.11 -1.84 2.02 -1.00 0.09 117.35 115.58 3bxx s TYR 274 Ca 0.10 -0.67 -0.24 0.00 -0.37 0.00 0.00 57.07 55.89 3bxx s TYR 274 Cb 0.12 -2.06 -0.12 0.00 -0.40 0.00 0.00 41.96 39.49 3bxx s TYR 274 CO 0.31 -0.36 2.01 0.54 -1.57 0.00 0.00 175.55 176.48 3bxx s ASN 275 N 1.11 4.56 -0.19 2.29 2.20 -1.26 -4.92 114.94 118.73 3bxx s ASN 275 Ca 0.02 -1.29 -0.26 0.00 -0.94 0.00 0.00 52.86 50.39 3bxx s ASN 275 Cb -0.15 -2.59 -0.01 0.00 -2.00 0.00 0.00 41.25 36.51 3bxx s ASN 275 CO 0.00 -3.54 0.87 -0.63 -2.94 0.00 0.00 177.10 170.87 3bxx s ILE 276 N 12.72 4.84 0.38 0.54 1.01 -1.26 -4.94 121.20 134.49 3bxx s ILE 276 Ca 0.73 1.70 -0.28 0.00 0.00 0.00 0.00 60.65 62.81 3bxx s ILE 276 Cb -0.03 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3bxx s ILE 276 CO 0.13 -0.02 1.46 -2.16 0.00 0.00 0.00 174.94 174.34 3bxx s PRO 277 N 2.40 4.08 0.22 2.79 0.04 -1.26 -4.94 135.00 138.33 3bxx s PRO 277 Ca 0.39 2.51 0.13 0.00 0.04 0.00 0.00 61.00 64.07 3bxx s PRO 277 Cb -0.16 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 3bxx s PRO 277 CO 0.11 -0.53 1.35 1.79 0.04 0.00 0.00 177.00 179.76 3bxx h THR 278 N 2.88 1.03 -2.31 1.26 1.35 -1.97 -3.45 112.91 111.69 3bxx h THR 278 Ca -0.51 -2.48 -0.58 0.00 -0.55 0.00 0.00 66.41 62.29 3bxx h THR 278 Cb 1.24 2.49 -0.14 0.00 -1.73 0.00 0.00 68.15 70.01 3bxx h THR 278 CO 0.64 0.59 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.14 3bxx s GLU 279 N -2.90 1.63 0.00 4.72 8.01 -1.26 -5.01 118.70 123.90 3bxx s GLU 279 Ca 0.03 -1.75 0.03 0.00 0.01 0.00 0.00 54.97 53.28 3bxx s GLU 279 Cb 0.08 -1.64 -0.01 0.00 -4.31 0.00 0.00 34.13 28.25 3bxx s GLU 279 CO 0.77 0.29 -0.09 -0.06 0.01 0.00 0.00 175.26 176.17 3bxx s PHE 280 N -2.61 0.80 0.66 1.61 0.40 -1.26 -5.14 117.98 112.43 3bxx s PHE 280 Ca 0.29 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 56.24 3bxx s PHE 280 Cb -0.04 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 3bxx s PHE 280 CO 0.14 -0.01 1.29 0.21 0.70 0.00 0.00 175.22 177.55 3bxx s LYS 281 N -0.45 2.50 -1.13 0.44 2.20 -1.26 -2.84 119.74 119.21 3bxx s LYS 281 Ca 0.02 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 3bxx s LYS 281 Cb -0.04 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 3bxx s LYS 281 CO -0.00 -1.63 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 3bxx n GLY 282 N 0.89 0.72 3.02 5.54 0.00 -1.26 -4.94 105.19 109.16 3bxx n GLY 282 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 2.17 0.36 1.61 1.01 -1.13 -5.11 120.40 117.23 3bxx s VAL 283 Ca 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 61.98 59.76 3bxx s VAL 283 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 3bxx s VAL 283 CO 0.00 -0.43 0.75 -1.81 0.00 0.00 0.00 175.10 173.61 3bxx s ASP 284 N 1.00 6.68 0.00 3.32 1.11 -1.26 -4.77 116.67 122.75 3bxx s ASP 284 Ca 0.05 1.23 0.19 0.00 0.18 0.00 0.00 52.55 54.20 3bxx s ASP 284 Cb -0.19 -2.36 1.02 0.00 1.07 0.00 0.00 42.92 42.46 3bxx s ASP 284 CO -0.08 -0.29 1.67 -1.84 1.18 0.00 0.00 175.17 175.81 3bxx n GLU 285 N -0.74 1.16 -0.34 8.23 0.00 -1.26 -2.41 120.64 125.27 3bxx n GLU 285 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 57.16 57.03 3bxx n GLU 285 Cb 0.53 -1.31 0.24 0.00 0.00 0.00 0.00 31.44 30.91 3bxx n GLU 285 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3bxx n ASN 286 N -0.55 3.09 -4.64 -1.84 3.02 -1.26 -4.88 115.26 108.20 3bxx n ASN 286 Ca 0.14 -2.14 -0.43 0.00 -0.03 0.00 0.00 54.58 52.13 3bxx n ASN 286 Cb 0.12 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.19 3.98 0.29 3.41 2.96 -1.01 -5.05 118.68 122.06 3bxx s LEU 287 Ca 0.35 1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 55.07 3bxx s LEU 287 Cb 0.20 -3.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.35 3bxx s LEU 287 CO 0.21 -0.81 0.79 -0.75 -1.32 0.00 0.00 176.35 174.47 3bxx s LYS 288 N 3.48 4.26 0.28 1.98 2.36 -1.26 -4.89 119.74 125.94 3bxx s LYS 288 Ca 0.43 0.95 -0.29 0.00 -2.55 0.00 0.00 55.97 54.50 3bxx s LYS 288 Cb -0.13 -2.70 -0.10 0.00 -1.05 0.00 0.00 37.83 33.86 3bxx s LYS 288 CO 0.14 0.28 1.27 0.45 1.55 0.00 0.00 175.35 179.04 3bxx s SER 289 N -1.83 6.90 -0.41 1.43 0.15 -1.26 -4.97 113.70 113.71 3bxx s SER 289 Ca 0.49 2.52 -0.19 0.00 0.70 0.00 0.00 55.95 59.47 3bxx s SER 289 Cb -0.15 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 3bxx s SER 289 CO 0.20 -0.46 0.52 -0.69 1.20 0.00 0.00 173.24 174.01 3bxx s VAL 290 N -0.71 4.98 0.08 4.45 1.01 -1.26 -4.85 120.40 124.11 3bxx s VAL 290 Ca 0.51 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 3bxx s VAL 290 Cb -0.37 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3bxx s VAL 290 CO 0.46 -0.43 0.66 0.00 0.00 0.00 0.00 175.10 175.79 3bxx s PHE 292 N -0.78 3.34 -0.53 0.00 0.40 -1.26 -0.88 117.98 118.27 3bxx s PHE 292 Ca 0.33 0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 56.77 3bxx s PHE 292 Cb -0.20 -2.32 0.04 0.00 0.51 0.00 0.00 43.02 41.05 3bxx s PHE 292 CO 0.21 0.07 0.85 0.45 0.70 0.00 0.00 175.22 177.51 3bxx s SER 293 N 0.98 6.31 0.00 1.36 0.15 0.56 -4.76 113.70 118.31 3bxx s SER 293 Ca 0.11 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3bxx s SER 293 Cb -0.14 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3bxx s SER 293 CO 0.05 -1.13 0.46 -1.20 1.20 0.00 0.00 173.24 172.63 3bxx n SER 294 N 7.10 0.68 -0.18 5.45 7.64 -1.26 -4.48 113.62 128.56 3bxx n SER 294 Ca -0.00 -1.61 -0.07 0.00 1.01 0.00 0.00 58.87 58.20 3bxx n SER 294 Cb 0.47 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.17 0.74 -0.94 1.43 3.64 -1.92 -0.67 116.57 119.01 3bxx h LYS 295 Ca 0.00 -0.08 0.24 0.00 -1.27 0.00 0.00 60.65 59.53 3bxx h LYS 295 Cb 0.34 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3bxx h LYS 295 CO 0.00 0.56 0.64 -0.22 -2.27 0.00 0.00 179.45 178.16 3bxx h LYS 296 N 0.71 0.29 0.05 1.90 3.64 -1.95 -1.43 116.57 119.77 3bxx h LYS 296 Ca 0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3bxx h LYS 296 Cb 0.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3bxx h LYS 296 CO -0.03 0.19 -0.02 1.25 -2.27 0.00 0.00 179.45 178.56 3bxx h LEU 297 N 0.29 -0.05 -0.77 5.20 5.85 -1.43 -3.30 115.31 121.10 3bxx h LEU 297 Ca 0.49 -0.56 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3bxx h LEU 297 Cb 1.42 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 3bxx h LEU 297 CO -0.16 0.57 0.39 0.71 -0.34 0.00 0.00 178.44 179.61 3bxx h THR 298 N -0.72 0.80 0.00 1.05 1.35 -1.11 -2.58 112.91 111.70 3bxx h THR 298 Ca -0.01 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3bxx h THR 298 Cb 0.61 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 3bxx h THR 298 CO 0.01 0.11 -0.06 0.44 -0.25 0.00 0.00 175.52 175.78 3bxx h ASP 299 N 0.62 0.00 0.78 5.36 3.32 -1.35 0.23 116.42 125.38 3bxx h ASP 299 Ca 0.39 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 3bxx h ASP 299 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3bxx h ASP 299 CO -0.31 0.06 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.71 3bxx h LEU 300 N 0.00 0.00 0.00 1.55 3.38 -1.54 -3.48 115.31 115.23 3bxx h LEU 300 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bxx h LEU 300 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3bxx h LEU 300 CO 0.01 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.64 3bxx n GLY 301 N 0.30 1.54 3.69 0.83 0.00 0.07 -5.11 105.19 106.50 3bxx n GLY 301 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3bxx n GLY 301 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bxx n PHE 302 N 0.00 2.29 -4.20 1.61 -0.00 -1.22 -4.98 117.46 110.95 3bxx n PHE 302 Ca 0.00 0.08 -0.34 0.00 -0.00 0.00 0.00 57.45 57.19 3bxx n PHE 302 Cb 0.00 -2.63 -0.14 0.00 -0.00 0.00 0.00 39.48 36.71 3bxx n PHE 302 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3bxx s GLU 303 N 3.93 3.34 -0.16 -4.13 8.01 -1.26 -4.08 118.70 124.36 3bxx s GLU 303 Ca 0.93 -0.66 -0.29 0.00 0.01 0.00 0.00 54.97 54.96 3bxx s GLU 303 Cb -0.75 -2.84 -0.05 0.00 -4.31 0.00 0.00 34.13 26.18 3bxx s GLU 303 CO 0.54 -0.06 1.84 -0.06 0.01 0.00 0.00 175.26 177.52 3bxx s PHE 304 N 1.09 1.69 -1.06 1.61 0.08 -1.26 -4.91 117.98 115.22 3bxx s PHE 304 Ca 0.01 0.30 0.27 0.00 0.12 0.00 0.00 56.93 57.63 3bxx s PHE 304 Cb -0.15 -4.03 0.94 0.00 -0.57 0.00 0.00 43.02 39.22 3bxx s PHE 304 CO -0.02 -3.83 1.72 1.63 -0.10 0.00 0.00 175.22 174.62 3bxx n LYS 305 N 7.88 0.06 -4.42 0.44 4.76 -1.26 -4.96 118.16 120.66 3bxx n LYS 305 Ca 0.22 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.38 3bxx n LYS 305 Cb 0.44 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.95 2.21 0.33 2.13 1.51 -1.26 -5.16 117.35 114.16 3bxx s TYR 306 Ca 0.14 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 3bxx s TYR 306 Cb 0.18 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3bxx s TYR 306 CO 0.59 0.53 0.20 -1.54 -1.11 0.00 0.00 175.55 174.22 3bxx s SER 307 N -2.89 5.00 0.27 2.29 1.04 -1.26 -4.95 113.70 113.20 3bxx s SER 307 Ca 0.22 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 3bxx s SER 307 Cb -0.07 -0.90 0.61 0.00 0.10 0.00 0.00 66.02 65.77 3bxx s SER 307 CO 0.11 -0.28 1.68 0.25 0.98 0.00 0.00 173.24 175.98 3bxx h LEU 308 N 1.44 0.12 -0.28 2.42 5.85 -1.96 -2.10 115.31 120.79 3bxx h LEU 308 Ca -0.45 0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.25 3bxx h LEU 308 Cb 1.25 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3bxx h LEU 308 CO 0.61 -0.05 -0.56 -0.33 -0.34 0.00 0.00 178.44 177.76 3bxx h GLU 309 N 0.30 0.88 0.36 1.25 3.07 -1.98 -1.64 114.58 116.83 3bxx h GLU 309 Ca 0.50 -0.57 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3bxx h GLU 309 Cb 0.93 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 3bxx h GLU 309 CO -0.55 1.20 -0.48 -0.44 -1.40 0.00 0.00 179.01 177.34 3bxx h ASP 310 N 0.67 -1.35 -0.19 1.42 3.32 -1.80 0.63 116.42 119.12 3bxx h ASP 310 Ca 0.01 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3bxx h ASP 310 Cb 1.17 0.46 -0.06 0.00 0.22 0.00 0.00 39.33 41.13 3bxx h ASP 310 CO 0.13 -0.60 -0.20 0.24 -1.72 0.00 0.00 179.24 177.08 3bxx h MET 311 N -0.88 -0.22 0.00 3.56 2.86 -1.35 1.00 114.93 119.89 3bxx h MET 311 Ca -0.03 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3bxx h MET 311 Cb 0.80 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 3bxx h MET 311 CO -0.13 -0.15 -0.16 0.74 1.06 0.00 0.00 176.91 178.27 3bxx h PHE 312 N -0.23 0.00 0.10 -0.22 0.04 -1.00 -0.22 116.94 115.40 3bxx h PHE 312 Ca 0.12 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.60 3bxx h PHE 312 Cb 0.41 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.58 3bxx h PHE 312 CO -0.34 0.16 -1.21 1.79 -0.60 0.00 0.00 178.31 178.11 3bxx h THR 313 N 0.00 1.29 -0.75 -1.55 1.35 0.16 -2.98 112.91 110.44 3bxx h THR 313 Ca -0.00 -2.46 -0.06 0.00 -0.55 0.00 0.00 66.41 63.34 3bxx h THR 313 Cb 0.45 2.65 -0.03 0.00 -1.73 0.00 0.00 68.15 69.49 3bxx h THR 313 CO 0.02 0.75 0.23 1.23 -0.25 0.00 0.00 175.52 177.50 3bxx h GLY 314 N 0.41 1.25 0.92 5.82 0.00 -0.57 -0.73 103.07 110.16 3bxx h GLY 314 Ca -0.18 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 3bxx h GLY 314 CO 0.23 0.69 -0.17 0.00 0.00 0.00 0.00 176.54 177.29 3bxx h ALA 315 N 1.13 -0.42 -0.24 3.60 0.00 0.21 -1.48 119.26 122.05 3bxx h ALA 315 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3bxx h ALA 315 Cb 0.31 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3bxx h ALA 315 CO -0.01 -0.75 0.15 0.28 0.00 0.00 0.00 179.25 178.92 3bxx h VAL 316 N -0.43 1.03 0.38 0.00 2.07 -1.52 -1.56 116.25 116.22 3bxx h VAL 316 Ca -0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3bxx h VAL 316 Cb 0.36 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3bxx h VAL 316 CO 0.03 0.05 -0.20 0.44 0.02 0.00 0.00 177.57 177.92 3bxx h ASP 317 N 0.30 -0.47 -0.60 0.57 3.32 -1.07 0.57 116.42 119.04 3bxx h ASP 317 Ca 0.09 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.30 3bxx h ASP 317 Cb -0.01 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3bxx h ASP 317 CO -0.04 -0.33 0.41 0.74 -1.72 0.00 0.00 179.24 178.30 3bxx h THR 318 N -0.53 0.81 0.06 0.35 2.02 -1.26 0.55 112.91 114.90 3bxx h THR 318 Ca -0.05 -0.08 -0.25 0.00 0.77 0.00 0.00 66.41 66.80 3bxx h THR 318 Cb 0.42 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3bxx h THR 318 CO 0.08 0.04 -1.21 0.00 0.37 0.00 0.00 175.52 174.80 3bxx h ARG 320 N 0.03 0.29 -0.01 0.00 3.08 0.88 0.19 114.38 118.84 3bxx h ARG 320 Ca -0.10 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3bxx h ARG 320 Cb 1.89 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 3bxx h ARG 320 CO 0.16 0.61 -0.27 0.00 -1.07 0.00 0.00 179.97 179.39 3bxx h ALA 321 N 0.67 -0.72 0.00 0.04 0.00 0.03 -0.90 119.26 118.39 3bxx h ALA 321 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bxx h ALA 321 Cb 0.51 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3bxx h ALA 321 CO 0.02 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.10 3bxx n LYS 322 N -4.00 0.59 -2.50 0.00 5.02 -0.97 -4.88 118.16 111.43 3bxx n LYS 322 Ca -0.04 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 3bxx n LYS 322 Cb 0.20 -1.18 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.16 -0.50 0.01 0.72 0.00 -0.34 -4.88 105.19 100.36 3bxx n GLY 323 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.97 0.70 -4.09 0.99 4.77 0.62 -4.86 117.00 112.15 3bxx n LEU 324 Ca -0.17 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.33 3bxx n LEU 324 Cb 0.63 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3bxx n LEU 324 CO 0.24 0.14 -0.48 -0.22 -1.33 0.00 0.00 177.39 175.74 3bxx s LEU 325 N -3.46 1.86 0.73 2.23 0.20 -0.80 -5.00 118.68 114.44 3bxx s LEU 325 Ca 0.05 -0.30 -0.15 0.00 0.69 0.00 0.00 54.13 54.42 3bxx s LEU 325 Cb 0.15 -0.84 0.04 0.00 -0.43 0.00 0.00 46.19 45.12 3bxx s LEU 325 CO 0.84 0.12 1.21 -2.84 -0.29 0.00 0.00 176.35 175.38 3bxx s PRO 326 N 0.11 2.13 0.40 0.98 0.02 -1.26 -4.38 135.00 132.99 3bxx s PRO 326 Ca -0.04 1.76 0.08 0.00 0.02 0.00 0.00 61.00 62.82 3bxx s PRO 326 Cb -0.11 -1.83 0.82 0.00 0.02 0.00 0.00 34.50 33.40 3bxx s PRO 326 CO 0.02 -1.84 1.97 -1.35 -0.33 0.00 0.00 177.00 175.47 3bxx h PRO 327 N -0.31 0.37 0.00 5.54 0.11 -1.97 -3.48 132.00 132.26 3bxx h PRO 327 Ca -0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3bxx h PRO 327 Cb 1.30 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3bxx h PRO 327 CO 0.50 0.37 0.04 -1.13 -0.21 0.00 0.00 178.00 177.57 3bxx n SER 328 N -4.36 -0.55 0.00 -2.05 3.41 -1.26 -4.93 113.62 103.88 3bxx n SER 328 Ca 0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 3bxx n SER 328 Cb 0.18 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3bxx n SER 328 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29