#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzc h ASP 2 N 0.00 0.42 -0.47 6.12 3.45 -2.00 -1.99 116.42 121.94 3bzc h ASP 2 Ca 0.00 0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.51 3bzc h ASP 2 Cb 0.00 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.67 3bzc h ASP 2 CO 0.00 0.30 0.32 0.77 -1.57 0.00 0.00 179.24 179.05 3bzc h SER 3 N 0.53 0.41 0.12 6.45 4.64 -2.03 0.29 113.55 123.96 3bzc h SER 3 Ca 0.19 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3bzc h SER 3 Cb 0.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3bzc h SER 3 CO -0.10 0.28 -0.06 0.40 -0.87 0.00 0.00 176.83 176.48 3bzc h ILE 4 N 0.47 1.07 -0.54 0.95 2.04 -1.83 -2.28 117.51 117.39 3bzc h ILE 4 Ca 0.20 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 65.03 3bzc h ILE 4 Cb 0.19 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3bzc h ILE 4 CO -0.05 0.25 0.05 0.78 0.00 0.00 0.00 178.15 179.18 3bzc h ASN 5 N -0.72 -0.13 0.05 1.72 2.35 -0.67 0.19 115.58 118.37 3bzc h ASN 5 Ca -0.02 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3bzc h ASN 5 Cb 0.54 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3bzc h ASN 5 CO 0.03 -0.04 -0.08 0.74 -1.65 0.00 0.00 177.43 176.42 3bzc h THR 6 N 0.17 0.81 -0.15 2.81 2.02 -0.54 0.80 112.91 118.82 3bzc h THR 6 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 3bzc h THR 6 Cb 0.42 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3bzc h THR 6 CO -0.42 0.00 0.08 -0.09 0.37 0.00 0.00 175.52 175.46 3bzc h ARG 7 N -0.17 0.21 -0.10 6.66 2.43 -0.76 -0.54 114.38 122.12 3bzc h ARG 7 Ca 0.01 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3bzc h ARG 7 Cb 0.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3bzc h ARG 7 CO -0.04 0.25 0.04 0.82 -1.51 0.00 0.00 179.97 179.52 3bzc h ILE 8 N 0.13 0.98 -0.61 1.20 2.04 -0.61 -0.15 117.51 120.49 3bzc h ILE 8 Ca 0.05 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 66.01 3bzc h ILE 8 Cb 0.10 0.89 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 3bzc h ILE 8 CO -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 178.15 178.11 3bzc h ALA 9 N 1.06 0.54 -0.15 1.87 0.00 -0.69 0.84 119.26 122.72 3bzc h ALA 9 Ca 0.04 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3bzc h ALA 9 Cb 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3bzc h ALA 9 CO -0.04 -0.41 0.04 1.49 0.00 0.00 0.00 179.25 180.33 3bzc h GLU 10 N 0.07 0.11 -0.66 0.00 4.57 -0.43 -1.00 114.58 117.24 3bzc h GLU 10 Ca 0.31 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 3bzc h GLU 10 Cb 0.50 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 3bzc h GLU 10 CO -0.56 0.07 0.22 0.93 -1.18 0.00 0.00 179.01 178.49 3bzc h GLU 11 N 0.11 1.00 -0.46 1.92 5.08 -0.38 -2.69 114.58 119.16 3bzc h GLU 11 Ca 0.07 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3bzc h GLU 11 Cb 0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3bzc h GLU 11 CO -0.08 0.85 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.67 3bzc h LEU 12 N 0.97 0.77 -1.06 1.33 3.38 -0.64 -2.92 115.31 117.14 3bzc h LEU 12 Ca 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bzc h LEU 12 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3bzc h LEU 12 CO -0.01 0.86 0.00 -1.20 0.09 0.00 0.00 178.44 178.18 3bzc n SER 13 N -4.20 0.42 0.08 -0.43 7.64 -0.40 -0.19 113.62 116.55 3bzc n SER 13 Ca 0.02 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.72 3bzc n SER 13 Cb 0.32 -0.75 0.33 0.00 -1.01 0.00 0.00 64.21 63.11 3bzc n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bzc n ALA 14 N -1.71 2.52 -1.69 -0.43 0.00 -1.10 -3.76 120.51 114.34 3bzc n ALA 14 Ca -0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 3bzc n ALA 14 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3bzc n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bzc s LEU 15 N -4.34 3.62 0.48 0.00 1.43 0.74 -4.90 118.68 115.70 3bzc s LEU 15 Ca 0.09 1.96 0.23 0.00 -1.03 0.00 0.00 54.13 55.39 3bzc s LEU 15 Cb 0.13 -4.55 1.26 0.00 0.03 0.00 0.00 46.19 43.06 3bzc s LEU 15 CO 0.64 -1.17 1.89 -0.65 0.23 0.00 0.00 176.35 177.29 3bzc h PRO 16 N 0.81 0.20 0.00 1.29 0.11 -1.88 0.86 132.00 133.39 3bzc h PRO 16 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bzc h PRO 16 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bzc h PRO 16 CO 0.57 0.14 0.01 -1.13 -0.21 0.00 0.00 178.00 177.38 3bzc n SER 17 N -4.41 0.00 -0.25 -2.05 3.41 -1.26 -4.93 113.62 104.13 3bzc n SER 17 Ca 0.17 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3bzc n SER 17 Cb 0.76 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3bzc n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bzc n GLY 18 N -1.48 -1.42 3.71 5.00 0.00 0.30 -4.89 105.19 106.40 3bzc n GLY 18 Ca 0.00 -1.24 -0.64 0.00 0.00 0.00 0.00 46.02 44.13 3bzc n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3bzc n ARG 19 N -0.50 0.28 -4.84 1.61 3.00 -1.25 -4.16 116.66 110.81 3bzc n ARG 19 Ca 0.00 0.10 -0.32 0.00 -0.00 0.00 0.00 57.85 57.63 3bzc n ARG 19 Cb 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 32.46 30.68 3bzc n ARG 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3bzc s VAL 20 N 2.68 2.90 0.17 5.15 1.01 -1.26 -4.94 120.40 126.11 3bzc s VAL 20 Ca 1.01 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3bzc s VAL 20 Cb -1.36 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 3bzc s VAL 20 CO 0.74 0.50 0.42 -1.10 0.00 0.00 0.00 175.10 175.67 3bzc s GLN 21 N -0.97 3.65 0.62 2.72 -1.52 -1.26 -4.60 119.66 118.30 3bzc s GLN 21 Ca 0.13 -0.03 0.34 0.00 -1.95 0.00 0.00 55.36 53.84 3bzc s GLN 21 Cb -0.11 -2.80 1.91 0.00 -0.22 0.00 0.00 33.01 31.80 3bzc s GLN 21 CO 0.02 0.42 2.19 -1.35 -0.25 0.00 0.00 175.29 176.32 3bzc h PRO 22 N 2.67 0.00 -0.00 2.91 0.11 -1.92 -1.44 132.00 134.33 3bzc h PRO 22 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3bzc h PRO 22 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3bzc h PRO 22 CO 0.71 0.00 -0.82 -0.56 -0.21 0.00 0.00 178.00 177.13 3bzc h GLN 23 N 0.00 0.09 -0.48 1.05 -0.00 -1.94 -0.82 115.11 113.01 3bzc h GLN 23 Ca 0.03 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.50 3bzc h GLN 23 Cb 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.75 3bzc h GLN 23 CO -0.00 0.85 -0.05 1.96 -0.00 0.00 0.00 178.83 181.60 3bzc h GLN 24 N 0.05 0.88 -0.29 0.06 4.20 -1.52 -0.76 115.11 117.73 3bzc h GLN 24 Ca -0.02 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.28 3bzc h GLN 24 Cb 1.43 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 3bzc h GLN 24 CO 0.11 0.94 -0.21 0.28 -0.67 0.00 0.00 178.83 179.28 3bzc h VAL 25 N 0.73 1.30 -0.79 -0.54 2.07 -1.44 0.90 116.25 118.48 3bzc h VAL 25 Ca 0.13 -1.35 0.11 0.00 0.82 0.00 0.00 66.70 66.40 3bzc h VAL 25 Cb 0.58 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.80 3bzc h VAL 25 CO 0.03 0.43 0.42 0.00 0.02 0.00 0.00 177.57 178.48 3bzc h ALA 26 N 0.73 1.13 0.18 1.67 0.00 -1.01 0.30 119.26 122.27 3bzc h ALA 26 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bzc h ALA 26 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3bzc h ALA 26 CO 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 3bzc h ALA 27 N 1.47 -0.25 -0.35 0.00 0.00 -0.69 -2.22 119.26 117.23 3bzc h ALA 27 Ca 0.40 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3bzc h ALA 27 Cb 0.43 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3bzc h ALA 27 CO -0.28 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 178.55 3bzc h ALA 28 N 0.04 0.32 -0.88 0.00 0.00 -0.56 -2.61 119.26 115.57 3bzc h ALA 28 Ca -0.03 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3bzc h ALA 28 Cb 0.47 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3bzc h ALA 28 CO 0.04 -0.39 0.55 0.28 0.00 0.00 0.00 179.25 179.74 3bzc h VAL 29 N 0.11 1.06 -0.59 0.00 2.07 -0.36 -0.42 116.25 118.12 3bzc h VAL 29 Ca 0.17 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3bzc h VAL 29 Cb 0.22 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 3bzc h VAL 29 CO -0.27 0.19 0.33 0.00 0.02 0.00 0.00 177.57 177.84 3bzc h ALA 30 N 1.41 0.77 -0.70 1.67 0.00 -1.17 -0.48 119.26 120.77 3bzc h ALA 30 Ca 0.38 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3bzc h ALA 30 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3bzc h ALA 30 CO -0.17 0.02 0.18 -0.07 0.00 0.00 0.00 179.25 179.21 3bzc h LEU 31 N 0.64 1.04 -0.34 0.00 3.38 -0.75 -1.98 115.31 117.29 3bzc h LEU 31 Ca 0.25 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3bzc h LEU 31 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3bzc h LEU 31 CO -0.14 0.99 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 3bzc h LEU 32 N 1.05 0.59 -1.44 1.67 3.38 -0.96 -0.80 115.31 118.80 3bzc h LEU 32 Ca 0.22 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3bzc h LEU 32 Cb 0.35 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3bzc h LEU 32 CO -0.00 0.75 0.43 0.44 0.09 0.00 0.00 178.44 180.15 3bzc h ASP 33 N 0.41 0.62 0.00 -0.43 3.32 -0.88 0.22 116.42 119.67 3bzc h ASP 33 Ca 0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3bzc h ASP 33 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3bzc h ASP 33 CO 0.02 0.41 0.00 -0.62 -1.72 0.00 0.00 179.24 177.33 3bzc n GLU 34 N -4.47 0.99 -2.06 3.56 1.02 -0.76 -4.88 120.64 114.03 3bzc n GLU 34 Ca 0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.18 3bzc n GLU 34 Cb 0.19 -1.11 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3bzc n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bzc n GLY 35 N 0.59 0.18 3.85 0.62 0.00 0.78 -5.05 105.19 106.17 3bzc n GLY 35 Ca 0.05 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3bzc n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bzc s SER 36 N -2.77 6.71 0.24 1.61 0.01 -0.32 -5.02 113.70 114.16 3bzc s SER 36 Ca 0.00 1.31 0.04 0.00 1.31 0.00 0.00 55.95 58.62 3bzc s SER 36 Cb 0.00 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 3bzc s SER 36 CO 0.00 -0.31 0.37 0.42 0.41 0.00 0.00 173.24 174.13 3bzc s THR 37 N -2.17 5.25 0.15 1.44 -4.23 -1.26 -4.37 115.64 110.45 3bzc s THR 37 Ca 0.55 -0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 59.96 3bzc s THR 37 Cb -0.10 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.90 3bzc s THR 37 CO 0.22 -0.33 1.73 0.58 -0.54 0.00 0.00 174.62 176.28 3bzc h VAL 38 N 1.17 0.84 -0.70 2.29 2.07 -1.98 0.26 116.25 120.20 3bzc h VAL 38 Ca -0.52 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3bzc h VAL 38 Cb 1.23 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3bzc h VAL 38 CO 0.62 0.03 0.40 -0.65 0.02 0.00 0.00 177.57 177.99 3bzc h PRO 39 N 0.17 0.72 0.54 1.57 0.11 -1.95 -0.23 132.00 132.93 3bzc h PRO 39 Ca 0.15 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3bzc h PRO 39 Cb 0.17 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3bzc h PRO 39 CO -0.20 0.47 -0.26 0.35 -0.21 0.00 0.00 178.00 178.15 3bzc h PHE 40 N 0.74 -0.67 -0.67 0.65 3.04 -1.75 -1.28 116.94 117.00 3bzc h PHE 40 Ca 0.31 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.31 3bzc h PHE 40 Cb 0.17 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.85 3bzc h PHE 40 CO -0.07 -0.38 0.36 0.82 -2.02 0.00 0.00 178.31 177.03 3bzc h ILE 41 N -0.83 0.95 -0.72 1.41 2.04 -0.82 0.57 117.51 120.12 3bzc h ILE 41 Ca -0.07 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3bzc h ILE 41 Cb 0.60 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3bzc h ILE 41 CO 0.12 0.12 0.35 0.00 0.00 0.00 0.00 178.15 178.74 3bzc h ALA 42 N 1.35 1.25 0.05 1.87 0.00 -0.93 -1.80 119.26 121.05 3bzc h ALA 42 Ca 0.30 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 3bzc h ALA 42 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3bzc h ALA 42 CO -0.19 0.58 -1.56 -0.09 0.00 0.00 0.00 179.25 177.98 3bzc h ARG 43 N 1.02 0.11 -0.16 0.00 2.43 -0.28 -3.42 114.38 114.08 3bzc h ARG 43 Ca 0.25 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3bzc h ARG 43 Cb 0.10 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3bzc h ARG 43 CO -0.03 1.09 0.00 0.66 -1.51 0.00 0.00 179.97 180.18 3bzc n TYR 44 N -4.05 0.21 -2.31 2.20 4.02 0.19 -4.60 117.16 112.83 3bzc n TYR 44 Ca -0.32 -0.34 -0.06 0.00 -0.01 0.00 0.00 57.90 57.17 3bzc n TYR 44 Cb 0.83 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 40.19 3bzc n TYR 44 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3bzc n ARG 45 N 0.27 2.07 -0.29 -0.72 5.12 -0.68 -4.87 116.66 117.56 3bzc n ARG 45 Ca 0.07 -3.46 -0.06 0.00 -1.93 0.00 0.00 57.85 52.48 3bzc n ARG 45 Cb 0.31 -1.58 0.06 0.00 -1.16 0.00 0.00 32.46 30.10 3bzc n ARG 45 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3bzc h LYS 46 N 1.94 1.17 -0.43 5.56 1.57 -1.81 -2.74 116.57 121.83 3bzc h LYS 46 Ca 0.04 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3bzc h LYS 46 Cb 1.42 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3bzc h LYS 46 CO 0.33 0.93 0.10 1.05 -0.57 0.00 0.00 179.45 181.30 3bzc h GLU 47 N 1.14 0.64 -0.37 3.15 9.09 -1.94 0.79 114.58 127.08 3bzc h GLU 47 Ca 0.27 -0.11 -0.15 0.00 0.05 0.00 0.00 59.36 59.41 3bzc h GLU 47 Cb 0.19 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 3bzc h GLU 47 CO -0.03 0.59 -0.37 0.28 0.05 0.00 0.00 179.01 179.54 3bzc h VAL 48 N 0.62 1.28 -0.01 -1.06 2.07 -1.88 -3.29 116.25 113.97 3bzc h VAL 48 Ca 0.14 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3bzc h VAL 48 Cb 0.24 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3bzc h VAL 48 CO -0.00 0.51 -0.65 0.35 0.02 0.00 0.00 177.57 177.80 3bzc n THR 49 N -4.10 0.00 -2.02 2.57 -2.24 -1.13 -4.76 114.28 102.60 3bzc n THR 49 Ca -0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3bzc n THR 49 Cb 0.53 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3bzc n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bzc n GLY 50 N 1.45 0.40 2.89 3.38 0.00 -0.06 -4.12 105.19 109.13 3bzc n GLY 50 Ca 0.07 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 3bzc n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bzc n SER 51 N 1.97 -4.90 -4.77 1.61 7.64 0.25 -4.99 113.62 110.42 3bzc n SER 51 Ca 0.00 -0.36 -0.41 0.00 1.01 0.00 0.00 58.87 59.11 3bzc n SER 51 Cb 0.50 -3.51 -0.01 0.00 -1.01 0.00 0.00 64.21 60.18 3bzc n SER 51 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bzc s LEU 52 N -5.19 4.35 0.56 -3.43 1.43 -1.26 -5.01 118.68 110.13 3bzc s LEU 52 Ca 0.39 2.95 0.09 0.00 -1.03 0.00 0.00 54.13 56.52 3bzc s LEU 52 Cb -0.17 -3.66 0.08 0.00 0.03 0.00 0.00 46.19 42.47 3bzc s LEU 52 CO 0.48 -0.78 0.78 1.51 0.23 0.00 0.00 176.35 178.57 3bzc s ASP 53 N -0.20 5.12 0.17 2.29 1.47 -1.26 -4.61 116.67 119.66 3bzc s ASP 53 Ca 0.52 -0.74 -0.20 0.00 1.18 0.00 0.00 52.55 53.32 3bzc s ASP 53 Cb -0.45 0.13 0.10 0.00 -0.34 0.00 0.00 42.92 42.36 3bzc s ASP 53 CO 0.60 -1.30 1.63 0.44 0.68 0.00 0.00 175.17 177.21 3bzc h ASP 54 N 0.18 -0.76 0.06 2.11 5.19 -1.92 0.13 116.42 121.42 3bzc h ASP 54 Ca -0.32 0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 3bzc h ASP 54 Cb 1.29 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 41.16 3bzc h ASP 54 CO 0.41 -0.25 -0.22 0.74 -3.12 0.00 0.00 179.24 176.80 3bzc h THR 55 N -0.15 0.49 -0.67 0.35 2.02 -1.99 0.60 112.91 113.56 3bzc h THR 55 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 3bzc h THR 55 Cb 0.46 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3bzc h THR 55 CO -0.50 0.00 0.40 1.56 0.37 0.00 0.00 175.52 177.35 3bzc h GLN 56 N -0.38 0.75 -0.17 6.66 4.20 -1.87 -1.05 115.11 123.26 3bzc h GLN 56 Ca 0.04 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3bzc h GLN 56 Cb 0.43 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3bzc h GLN 56 CO -0.16 0.50 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.05 3bzc h LEU 57 N 0.78 0.38 -0.22 1.46 3.38 0.12 0.18 115.31 121.39 3bzc h LEU 57 Ca 0.28 -0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3bzc h LEU 57 Cb 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bzc h LEU 57 CO -0.13 0.72 -0.83 0.03 0.09 0.00 0.00 178.44 178.32 3bzc h ARG 58 N 0.31 0.58 -0.36 1.13 2.47 0.46 -1.73 114.38 117.24 3bzc h ARG 58 Ca 0.03 -0.52 -0.04 0.00 -1.26 0.00 0.00 59.98 58.19 3bzc h ARG 58 Cb 0.80 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 3bzc h ARG 58 CO 0.06 1.15 0.05 1.98 0.56 0.00 0.00 179.97 183.77 3bzc h MET 59 N 0.38 0.60 -0.34 0.04 4.05 -1.02 -2.14 114.93 116.50 3bzc h MET 59 Ca -0.06 -0.16 0.07 0.00 -0.28 0.00 0.00 59.70 59.27 3bzc h MET 59 Cb 1.45 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 32.10 3bzc h MET 59 CO 0.16 0.68 -0.17 1.25 0.23 0.00 0.00 176.91 179.05 3bzc h LEU 60 N 0.44 -0.58 -0.86 3.39 6.46 -0.59 0.23 115.31 123.81 3bzc h LEU 60 Ca 0.11 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 3bzc h LEU 60 Cb 0.37 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.56 3bzc h LEU 60 CO 0.01 -0.21 0.55 -0.08 -0.62 0.00 0.00 178.44 178.10 3bzc h GLU 61 N -0.12 1.05 0.04 1.25 4.81 -1.12 0.45 114.58 120.95 3bzc h GLU 61 Ca 0.17 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3bzc h GLU 61 Cb 0.38 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bzc h GLU 61 CO -0.42 0.70 -0.02 1.49 -0.73 0.00 0.00 179.01 180.03 3bzc h GLU 62 N 1.08 -0.05 -0.86 1.92 4.81 -0.90 -2.40 114.58 118.18 3bzc h GLU 62 Ca 0.34 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3bzc h GLU 62 Cb -0.01 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3bzc h GLU 62 CO -0.11 0.44 0.56 0.00 -0.73 0.00 0.00 179.01 179.17 3bzc h ARG 63 N -0.58 1.09 -0.77 1.92 2.47 -0.69 -1.59 114.38 116.22 3bzc h ARG 63 Ca -0.01 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 58.74 3bzc h ARG 63 Cb 0.52 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 3bzc h ARG 63 CO 0.01 0.72 0.51 1.25 0.56 0.00 0.00 179.97 183.02 3bzc h LEU 64 N 1.12 0.65 0.47 3.04 5.85 -0.08 0.36 115.31 126.73 3bzc h LEU 64 Ca 0.33 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 3bzc h LEU 64 Cb -0.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3bzc h LEU 64 CO -0.09 0.40 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.09 3bzc h ARG 65 N 0.73 -0.61 -0.40 1.25 2.43 -0.78 -2.35 114.38 114.65 3bzc h ARG 65 Ca 0.35 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 3bzc h ARG 65 Cb 0.40 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3bzc h ARG 65 CO -0.13 -0.31 0.15 -0.92 -1.51 0.00 0.00 179.97 177.26 3bzc h TYR 66 N -0.98 0.28 0.00 2.20 3.20 -0.91 -2.63 116.97 118.13 3bzc h TYR 66 Ca -0.06 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3bzc h TYR 66 Cb 0.59 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3bzc h TYR 66 CO 0.01 0.12 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.28 3bzc h LEU 67 N 0.32 0.00 -0.92 2.82 3.38 -0.35 -1.70 115.31 118.87 3bzc h LEU 67 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3bzc h LEU 67 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bzc h LEU 67 CO -0.17 0.30 -0.40 0.03 0.09 0.00 0.00 178.44 178.30 3bzc h ARG 68 N 0.00 0.00 -0.08 1.13 3.08 -1.07 -2.25 114.38 115.19 3bzc h ARG 68 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3bzc h ARG 68 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3bzc h ARG 68 CO 0.04 0.40 -0.20 0.93 -1.07 0.00 0.00 179.97 180.07 3bzc h GLU 69 N 0.00 0.28 -0.08 0.04 5.08 -1.01 -2.34 114.58 116.55 3bzc h GLU 69 Ca -0.00 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3bzc h GLU 69 Cb 0.91 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 3bzc h GLU 69 CO 0.05 0.79 -0.19 1.25 -1.00 0.00 0.00 179.01 179.92 3bzc h LEU 70 N -0.19 -0.57 -1.26 1.33 5.85 -1.34 -0.71 115.31 118.42 3bzc h LEU 70 Ca -0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3bzc h LEU 70 Cb 0.80 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3bzc h LEU 70 CO 0.04 -0.24 0.48 -0.33 -0.34 0.00 0.00 178.44 178.05 3bzc h GLU 71 N -0.26 0.98 -0.21 1.25 4.39 -1.46 0.29 114.58 119.56 3bzc h GLU 71 Ca 0.08 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3bzc h GLU 71 Cb 0.38 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3bzc h GLU 71 CO -0.23 0.66 0.11 0.93 -1.16 0.00 0.00 179.01 179.32 3bzc h GLU 72 N 1.01 0.30 -0.31 2.33 4.39 -0.83 -2.20 114.58 119.27 3bzc h GLU 72 Ca 0.27 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 3bzc h GLU 72 Cb -0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3bzc h GLU 72 CO -0.06 0.28 -0.07 -0.09 -1.16 0.00 0.00 179.01 177.91 3bzc h ARG 73 N 0.23 0.60 -0.70 2.33 9.65 -0.30 -2.70 114.38 123.49 3bzc h ARG 73 Ca 0.07 -0.23 0.11 0.00 -1.10 0.00 0.00 59.98 58.84 3bzc h ARG 73 Cb 0.08 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.54 3bzc h ARG 73 CO -0.01 0.78 0.29 -0.09 2.80 0.00 0.00 179.97 183.74 3bzc h ARG 74 N 0.37 0.46 0.26 0.20 2.43 -0.40 -0.18 114.38 117.52 3bzc h ARG 74 Ca 0.08 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3bzc h ARG 74 Cb 0.56 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3bzc h ARG 74 CO 0.03 0.30 -0.16 0.78 -1.51 0.00 0.00 179.97 179.41 3bzc h GLY 75 N 0.47 -0.42 0.39 2.80 0.00 -1.27 -1.38 103.07 103.67 3bzc h GLY 75 Ca 0.36 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.96 3bzc h GLY 75 CO -0.34 -0.17 0.18 0.00 0.00 0.00 0.00 176.54 176.21 3bzc h ALA 76 N 0.31 0.69 0.02 3.60 0.00 -1.01 -0.02 119.26 122.85 3bzc h ALA 76 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bzc h ALA 76 Cb 0.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3bzc h ALA 76 CO 0.02 -0.23 -0.05 0.82 0.00 0.00 0.00 179.25 179.80 3bzc h ILE 77 N 0.34 0.86 -0.62 0.00 2.04 -0.92 -0.48 117.51 118.73 3bzc h ILE 77 Ca 0.28 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.23 3bzc h ILE 77 Cb 0.35 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3bzc h ILE 77 CO -0.31 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.04 3bzc h LEU 78 N -0.11 0.30 -0.87 1.44 3.38 -0.64 -1.25 115.31 117.58 3bzc h LEU 78 Ca 0.02 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3bzc h LEU 78 Cb 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3bzc h LEU 78 CO -0.04 0.18 -0.04 0.00 0.09 0.00 0.00 178.44 178.63 3bzc h ALA 79 N 1.40 1.05 0.21 1.53 0.00 -0.58 -0.98 119.26 121.89 3bzc h ALA 79 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bzc h ALA 79 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bzc h ALA 79 CO -0.28 0.59 -0.10 1.03 0.00 0.00 0.00 179.25 180.49 3bzc h SER 80 N 0.74 -0.23 -0.65 0.00 0.87 -0.46 -1.23 113.55 112.57 3bzc h SER 80 Ca 0.14 -0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3bzc h SER 80 Cb 0.51 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 3bzc h SER 80 CO 0.03 0.15 0.37 0.40 -0.53 0.00 0.00 176.83 177.24 3bzc h ILE 81 N -0.65 0.99 -0.29 2.23 2.04 -1.19 -2.19 117.51 118.45 3bzc h ILE 81 Ca -0.03 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3bzc h ILE 81 Cb 0.47 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3bzc h ILE 81 CO 0.05 0.13 -0.20 -0.08 0.00 0.00 0.00 178.15 178.04 3bzc h GLU 82 N 0.69 0.53 0.00 2.37 4.22 -1.13 -1.04 114.58 120.23 3bzc h GLU 82 Ca 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 3bzc h GLU 82 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3bzc h GLU 82 CO -0.17 0.71 -0.03 0.93 -2.18 0.00 0.00 179.01 178.28 3bzc h GLU 83 N 0.48 0.00 -0.73 1.92 5.08 -0.59 -2.00 114.58 118.74 3bzc h GLU 83 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3bzc h GLU 83 Cb 0.62 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 3bzc h GLU 83 CO 0.04 0.03 0.15 1.04 -1.00 0.00 0.00 179.01 179.27 3bzc n GLN 84 N -3.29 3.86 -3.53 2.33 6.02 -0.41 -4.92 117.38 117.44 3bzc n GLN 84 Ca -0.02 -2.75 -0.25 0.00 -0.01 0.00 0.00 57.00 53.97 3bzc n GLN 84 Cb 0.16 -2.15 -0.02 0.00 1.02 0.00 0.00 30.24 29.25 3bzc n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bzc n GLY 85 N 0.17 -0.47 0.00 1.08 0.00 -0.75 -4.81 105.19 100.41 3bzc n GLY 85 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3bzc n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bzc n LYS 86 N -3.68 1.64 -2.82 1.61 4.76 -1.08 -4.96 118.16 113.65 3bzc n LYS 86 Ca 0.02 -1.06 -0.43 0.00 -2.87 0.00 0.00 58.31 53.97 3bzc n LYS 86 Cb 0.52 -0.84 -0.01 0.00 -1.84 0.00 0.00 35.03 32.85 3bzc n LYS 86 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3bzc s LEU 87 N -0.58 4.60 0.49 -0.35 2.96 -1.25 -4.93 118.68 119.62 3bzc s LEU 87 Ca 0.00 -2.30 -0.21 0.00 -0.22 0.00 0.00 54.13 51.40 3bzc s LEU 87 Cb 0.00 -2.46 -0.07 0.00 0.50 0.00 0.00 46.19 44.16 3bzc s LEU 87 CO 0.00 -1.06 1.11 0.42 -1.32 0.00 0.00 176.35 175.50 3bzc s THR 88 N 2.98 3.35 0.56 3.68 -4.23 -1.26 -4.79 115.64 115.93 3bzc s THR 88 Ca 0.41 0.91 0.25 0.00 -1.18 0.00 0.00 61.69 62.08 3bzc s THR 88 Cb -0.02 -3.41 0.34 0.00 1.34 0.00 0.00 72.50 70.76 3bzc s THR 88 CO -0.04 -0.12 2.12 -0.65 -0.54 0.00 0.00 174.62 175.39 3bzc h PRO 89 N 1.66 0.00 -0.17 3.99 0.11 -1.98 0.34 132.00 135.95 3bzc h PRO 89 Ca -0.50 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 3bzc h PRO 89 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 3bzc h PRO 89 CO 0.59 0.00 -0.64 0.93 -0.21 0.00 0.00 178.00 178.67 3bzc h GLU 90 N 0.00 0.73 0.23 1.05 3.07 -1.99 -1.80 114.58 115.87 3bzc h GLU 90 Ca 0.08 -0.56 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 3bzc h GLU 90 Cb 0.39 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3bzc h GLU 90 CO -0.00 1.18 -0.11 1.25 -1.40 0.00 0.00 179.01 179.93 3bzc h LEU 91 N 0.44 -0.27 -1.89 1.33 5.85 -1.46 -2.23 115.31 117.08 3bzc h LEU 91 Ca -0.03 -0.15 0.21 0.00 0.84 0.00 0.00 57.88 58.75 3bzc h LEU 91 Cb 1.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 3bzc h LEU 91 CO 0.14 -0.00 0.54 0.00 -0.34 0.00 0.00 178.44 178.78 3bzc h ALA 92 N 0.17 2.59 0.19 1.25 0.00 -0.45 -0.87 119.26 122.14 3bzc h ALA 92 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bzc h ALA 92 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3bzc h ALA 92 CO 0.05 -0.81 -0.09 -0.09 0.00 0.00 0.00 179.25 178.31 3bzc h ARG 93 N 0.09 -0.24 -0.55 0.00 9.65 -1.08 -2.29 114.38 119.97 3bzc h ARG 93 Ca 0.37 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.30 3bzc h ARG 93 Cb 1.34 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 3bzc h ARG 93 CO -0.04 0.14 0.36 -0.44 2.80 0.00 0.00 179.97 182.80 3bzc h ASP 94 N -0.72 0.56 -0.35 -3.80 3.32 -0.68 -0.86 116.42 113.89 3bzc h ASP 94 Ca -0.03 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3bzc h ASP 94 Cb 0.50 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3bzc h ASP 94 CO 0.04 0.39 -0.03 0.40 -1.72 0.00 0.00 179.24 178.33 3bzc h ILE 95 N 0.65 1.27 -0.79 0.35 2.04 -1.24 -1.31 117.51 118.47 3bzc h ILE 95 Ca 0.22 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.12 3bzc h ILE 95 Cb 0.06 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3bzc h ILE 95 CO -0.06 0.34 0.46 0.50 0.00 0.00 0.00 178.15 179.39 3bzc h LYS 96 N 0.44 0.77 0.00 2.37 1.63 -0.66 -2.15 116.57 118.97 3bzc h LYS 96 Ca 0.10 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3bzc h LYS 96 Cb 0.50 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3bzc h LYS 96 CO 0.02 0.51 0.00 1.28 -3.45 0.00 0.00 179.45 177.82 3bzc n LEU 97 N -4.73 0.16 -4.73 5.20 4.77 -0.43 -4.85 117.00 112.40 3bzc n LEU 97 Ca 0.12 0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 56.20 3bzc n LEU 97 Cb 0.23 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3bzc n LEU 97 CO 0.28 -0.04 1.13 0.00 -1.33 0.00 0.00 177.39 177.43 3bzc s ALA 98 N -3.02 3.66 0.00 -1.18 0.00 -0.51 -4.90 121.76 115.81 3bzc s ALA 98 Ca 0.13 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3bzc s ALA 98 Cb 0.18 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3bzc s ALA 98 CO 0.54 -0.70 0.00 -0.40 0.00 0.00 0.00 175.76 175.20 3bzc n ASP 99 N 3.42 0.01 -4.63 0.00 3.85 -1.26 -4.97 116.55 112.96 3bzc n ASP 99 Ca 0.11 -0.46 -0.27 0.00 -0.71 0.00 0.00 54.79 53.46 3bzc n ASP 99 Cb 0.40 0.91 -0.08 0.00 -1.35 0.00 0.00 41.12 41.00 3bzc n ASP 99 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3bzc s THR 100 N -0.91 3.56 0.31 2.12 -4.23 -1.26 -5.02 115.64 110.22 3bzc s THR 100 Ca 0.00 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 3bzc s THR 100 Cb 0.00 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.16 3bzc s THR 100 CO 0.00 -0.09 1.78 0.50 -0.54 0.00 0.00 174.62 176.27 3bzc h LYS 101 N 2.85 0.40 -0.86 3.99 3.64 -1.99 -2.32 116.57 122.28 3bzc h LYS 101 Ca -0.47 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 3bzc h LYS 101 Cb 1.20 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3bzc h LYS 101 CO 0.57 0.60 0.44 1.15 -2.27 0.00 0.00 179.45 179.93 3bzc h THR 102 N 0.36 1.26 -0.54 1.00 2.02 -1.99 0.61 112.91 115.62 3bzc h THR 102 Ca 0.06 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 3bzc h THR 102 Cb 0.58 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3bzc h THR 102 CO 0.04 0.30 -0.00 -0.09 0.37 0.00 0.00 175.52 176.14 3bzc h ARG 103 N 1.21 0.93 0.17 6.66 9.65 -1.88 -1.28 114.38 129.85 3bzc h ARG 103 Ca 0.30 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3bzc h ARG 103 Cb 0.07 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3bzc h ARG 103 CO -0.04 0.92 -0.08 -0.07 2.80 0.00 0.00 179.97 183.50 3bzc h LEU 104 N 0.86 -0.19 -0.26 3.80 3.38 -0.83 -1.87 115.31 120.19 3bzc h LEU 104 Ca 0.16 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3bzc h LEU 104 Cb 0.51 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3bzc h LEU 104 CO 0.03 -0.03 -0.07 -0.33 0.09 0.00 0.00 178.44 178.12 3bzc h GLU 105 N -0.34 0.51 0.00 1.13 4.39 -0.85 -1.81 114.58 117.61 3bzc h GLU 105 Ca -0.02 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3bzc h GLU 105 Cb 0.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3bzc h GLU 105 CO 0.04 0.74 0.00 -0.40 -1.16 0.00 0.00 179.01 178.22 3bzc n ASP 106 N -4.52 0.51 0.09 1.42 5.75 -0.49 -0.50 116.55 118.81 3bzc n ASP 106 Ca -0.04 0.60 -0.02 0.00 -0.01 0.00 0.00 54.79 55.33 3bzc n ASP 106 Cb 0.31 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 39.64 3bzc n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3bzc h LEU 107 N 0.00 0.00 0.00 -2.12 3.38 -0.96 -3.32 115.31 112.29 3bzc h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bzc h LEU 107 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3bzc h LEU 107 CO 0.00 0.71 -0.22 0.00 0.09 0.00 0.00 178.44 179.03 3bzc n TYR 108 N -3.22 0.45 -0.18 1.13 9.36 0.34 -4.43 117.16 120.61 3bzc n TYR 108 Ca -0.01 0.13 -0.02 0.00 3.32 0.00 0.00 57.90 61.32 3bzc n TYR 108 Cb 0.84 -0.65 0.05 0.00 -0.63 0.00 0.00 39.34 38.95 3bzc n TYR 108 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3bzc h LEU 109 N 0.00 -0.49 0.00 2.98 3.38 -1.41 0.16 115.31 119.93 3bzc h LEU 109 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3bzc h LEU 109 Cb 0.64 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3bzc h LEU 109 CO 0.00 -0.18 0.00 -2.65 0.09 0.00 0.00 178.44 175.70 3bzc n PRO 110 N -5.38 0.06 0.00 1.13 -0.02 -1.26 -2.04 135.00 127.49 3bzc n PRO 110 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3bzc n PRO 110 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3bzc n PRO 110 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bzc n TYR 111 N -1.36 0.00 -2.47 6.00 4.02 0.45 -4.96 117.16 118.84 3bzc n TYR 111 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3bzc n TYR 111 Cb 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 3bzc n TYR 111 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3bzc s LYS 112 N -0.07 4.50 0.48 -0.72 2.20 -0.57 -4.93 119.74 120.63 3bzc s LYS 112 Ca 0.00 1.74 -0.08 0.00 -0.36 0.00 0.00 55.97 57.27 3bzc s LYS 112 Cb 0.00 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3bzc s LYS 112 CO 0.00 -0.11 0.82 1.14 -0.36 0.00 0.00 175.35 176.84 3bzc s GLN 113 N 0.42 3.65 0.20 4.03 -2.07 -1.26 -5.02 119.66 119.61 3bzc s GLN 113 Ca 0.54 0.41 -0.23 0.00 -1.82 0.00 0.00 55.36 54.27 3bzc s GLN 113 Cb -0.29 -2.33 0.05 0.00 -1.09 0.00 0.00 33.01 29.35 3bzc s GLN 113 CO 0.32 -0.20 0.72 0.21 -1.32 0.00 0.00 175.29 175.02 3bzc s LYS 114 N -4.45 1.46 0.02 9.60 2.20 -1.26 -5.18 119.74 122.12 3bzc s LYS 114 Ca 0.50 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 3bzc s LYS 114 Cb -0.10 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 3bzc s LYS 114 CO 0.41 -0.66 0.01 0.54 -0.36 0.00 0.00 175.35 175.29 3bzc n ARG 115 N -0.42 1.47 -2.74 4.03 1.74 -1.26 -4.94 116.66 114.54 3bzc n ARG 115 Ca -0.09 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.77 3bzc n ARG 115 Cb 0.62 0.01 -0.01 0.00 -1.02 0.00 0.00 32.46 32.06 3bzc n ARG 115 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bzc n ARG 116 N -0.54 -2.65 -2.24 5.56 5.12 -1.26 -4.92 116.66 115.73 3bzc n ARG 116 Ca -0.00 0.27 -0.30 0.00 -1.93 0.00 0.00 57.85 55.89 3bzc n ARG 116 Cb 0.02 -4.84 -0.00 0.00 -1.16 0.00 0.00 32.46 26.48 3bzc n ARG 116 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bzc s THR 117 N -2.42 4.77 0.20 0.55 -4.23 -1.26 -4.89 115.64 108.35 3bzc s THR 117 Ca 0.11 0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 61.09 3bzc s THR 117 Cb -0.06 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.09 3bzc s THR 117 CO 0.14 -0.97 1.57 0.11 -0.54 0.00 0.00 174.62 174.93 3bzc h LYS 118 N 0.07 -0.10 -0.90 3.99 1.79 -1.96 0.05 116.57 119.51 3bzc h LYS 118 Ca -0.45 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.12 3bzc h LYS 118 Cb 1.19 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.79 3bzc h LYS 118 CO 0.62 -0.07 0.54 0.78 -1.08 0.00 0.00 179.45 180.24 3bzc h GLY 119 N -0.11 1.41 1.07 3.86 0.00 -1.85 -0.64 103.07 106.80 3bzc h GLY 119 Ca 0.27 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3bzc h GLY 119 CO -0.79 0.16 0.15 1.46 0.00 0.00 0.00 176.54 177.52 3bzc h GLN 120 N 0.89 1.13 0.48 4.80 1.08 -1.39 -0.76 115.11 121.34 3bzc h GLN 120 Ca 0.43 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3bzc h GLN 120 Cb 0.38 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3bzc h GLN 120 CO -0.24 1.01 -0.23 0.82 -0.95 0.00 0.00 178.83 179.24 3bzc h ILE 121 N 1.06 0.49 -0.98 2.54 2.04 -0.52 -1.99 117.51 120.15 3bzc h ILE 121 Ca 0.22 -0.29 0.25 0.00 1.00 0.00 0.00 64.86 66.04 3bzc h ILE 121 Cb 0.40 0.61 -0.13 0.00 -0.74 0.00 0.00 36.82 36.97 3bzc h ILE 121 CO 0.01 0.05 0.55 0.00 0.00 0.00 0.00 178.15 178.76 3bzc h ALA 122 N -0.40 1.74 -0.04 1.87 0.00 -1.05 -0.75 119.26 120.64 3bzc h ALA 122 Ca -0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bzc h ALA 122 Cb 0.57 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bzc h ALA 122 CO 0.11 -0.32 0.02 -0.07 0.00 0.00 0.00 179.25 178.98 3bzc h LEU 123 N 0.51 0.05 -2.21 0.00 3.38 -0.94 -0.60 115.31 115.50 3bzc h LEU 123 Ca 0.64 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 3bzc h LEU 123 Cb 1.25 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3bzc h LEU 123 CO -0.50 0.20 -0.01 -0.33 0.09 0.00 0.00 178.44 177.89 3bzc h GLU 124 N -0.10 0.00 0.00 1.13 5.08 -0.44 0.17 114.58 120.42 3bzc h GLU 124 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3bzc h GLU 124 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3bzc h GLU 124 CO -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3bzc n ALA 125 N -2.42 2.51 -0.48 3.43 0.00 -0.42 -4.88 120.51 118.25 3bzc n ALA 125 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3bzc n ALA 125 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3bzc n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzc n GLY 126 N 1.05 0.75 0.00 0.00 0.00 0.58 -4.95 105.19 102.63 3bzc n GLY 126 Ca 0.17 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3bzc n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bzc n LEU 127 N 0.00 0.00 -0.25 0.99 4.32 -0.26 -3.45 117.00 118.35 3bzc n LEU 127 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 3bzc n LEU 127 Cb 0.00 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.85 3bzc n LEU 127 CO 0.00 0.00 0.97 1.23 -1.22 0.00 0.00 177.39 178.37 3bzc h GLY 128 N 4.07 1.18 1.51 -0.72 0.00 -1.79 -1.49 103.07 105.83 3bzc h GLY 128 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.64 3bzc h GLY 128 CO 0.00 0.66 0.31 0.00 0.00 0.00 0.00 176.54 177.51 3bzc h ALA 129 N 1.10 1.71 0.05 3.60 0.00 -1.96 0.13 119.26 123.90 3bzc h ALA 129 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bzc h ALA 129 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3bzc h ALA 129 CO -0.01 0.25 -0.02 1.25 0.00 0.00 0.00 179.25 180.73 3bzc h LEU 130 N 0.59 -0.06 -0.30 0.00 5.85 -1.63 -1.06 115.31 118.70 3bzc h LEU 130 Ca 0.18 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3bzc h LEU 130 Cb -0.01 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3bzc h LEU 130 CO -0.04 0.47 -0.28 0.00 -0.34 0.00 0.00 178.44 178.25 3bzc h ALA 131 N 0.30 -0.16 -0.77 1.25 0.00 -0.91 -1.16 119.26 117.80 3bzc h ALA 131 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bzc h ALA 131 Cb 0.53 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3bzc h ALA 131 CO 0.01 -0.70 0.51 -0.44 0.00 0.00 0.00 179.25 178.63 3bzc h ASP 132 N -0.26 0.89 -0.43 0.00 3.32 -0.79 -1.75 116.42 117.40 3bzc h ASP 132 Ca 0.15 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3bzc h ASP 132 Cb 0.50 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3bzc h ASP 132 CO -0.45 0.65 0.14 0.00 -1.72 0.00 0.00 179.24 177.86 3bzc h ALA 133 N 1.28 0.57 -0.38 3.45 0.00 -0.51 0.48 119.26 124.14 3bzc h ALA 133 Ca 0.28 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3bzc h ALA 133 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3bzc h ALA 133 CO -0.06 0.21 -0.38 -0.07 0.00 0.00 0.00 179.25 178.95 3bzc h LEU 134 N 0.56 0.99 -0.02 0.00 3.38 -1.11 -0.99 115.31 118.12 3bzc h LEU 134 Ca 0.14 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3bzc h LEU 134 Cb 0.26 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3bzc h LEU 134 CO -0.00 1.25 0.00 0.15 0.09 0.00 0.00 178.44 179.93 3bzc h PHE 135 N 0.76 0.04 0.00 1.13 3.57 -1.15 -2.89 116.94 118.39 3bzc h PHE 135 Ca 0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3bzc h PHE 135 Cb 0.97 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 3bzc h PHE 135 CO 0.06 0.29 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.88 3bzc h ASP 136 N -0.22 0.00 -2.22 0.41 3.32 0.01 -3.39 116.42 114.32 3bzc h ASP 136 Ca 0.01 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3bzc h ASP 136 Cb 0.27 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.48 3bzc h ASP 136 CO 0.00 0.12 -0.68 -0.62 -1.72 0.00 0.00 179.24 176.33 3bzc s ASP 137 N -7.03 1.91 0.05 6.45 2.15 -0.38 -5.00 116.67 114.83 3bzc s ASP 137 Ca -0.04 -1.13 0.16 0.00 0.43 0.00 0.00 52.55 51.97 3bzc s ASP 137 Cb 0.16 0.33 0.68 0.00 -0.30 0.00 0.00 42.92 43.79 3bzc s ASP 137 CO 0.69 -0.36 1.50 -2.65 -0.17 0.00 0.00 175.17 174.18 3bzc n PRO 138 N 4.96 0.04 0.09 4.34 -0.02 -1.19 -2.52 135.00 140.70 3bzc n PRO 138 Ca 0.01 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 3bzc n PRO 138 Cb 0.45 -1.58 0.39 0.00 -0.02 0.00 0.00 33.50 32.74 3bzc n PRO 138 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3bzc n THR 139 N -1.65 0.48 -1.50 3.45 -2.24 -1.26 0.09 114.28 111.65 3bzc n THR 139 Ca 0.03 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 3bzc n THR 139 Cb 0.18 -0.49 0.08 0.00 -2.10 0.00 0.00 70.33 67.99 3bzc n THR 139 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bzc s LEU 140 N -4.29 3.30 -0.32 3.22 1.43 -1.05 -4.34 118.68 116.63 3bzc s LEU 140 Ca 0.10 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 3bzc s LEU 140 Cb 0.13 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 3bzc s LEU 140 CO 0.61 -2.06 0.26 -0.69 0.23 0.00 0.00 176.35 174.70 3bzc s VAL 141 N -2.22 5.26 0.09 -1.59 1.01 -1.26 -2.94 120.40 118.75 3bzc s VAL 141 Ca 0.70 -0.02 -0.33 0.00 0.00 0.00 0.00 61.98 62.34 3bzc s VAL 141 Cb -0.25 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 3bzc s VAL 141 CO 0.45 0.04 1.60 -0.65 0.00 0.00 0.00 175.10 176.54 3bzc h PRO 142 N 8.44 -0.83 -0.71 2.72 0.11 -1.95 -0.46 132.00 139.32 3bzc h PRO 142 Ca -0.32 0.06 0.16 0.00 0.11 0.00 0.00 66.00 66.00 3bzc h PRO 142 Cb 1.16 0.19 -0.11 0.00 0.11 0.00 0.00 31.00 32.35 3bzc h PRO 142 CO 0.63 -0.55 0.08 0.93 -0.21 0.00 0.00 178.00 178.88 3bzc h GLU 143 N -0.86 0.18 -0.06 1.05 3.07 -1.95 0.93 114.58 116.94 3bzc h GLU 143 Ca -0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3bzc h GLU 143 Cb 0.74 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3bzc h GLU 143 CO -0.02 0.12 0.04 0.77 -1.40 0.00 0.00 179.01 178.51 3bzc h SER 144 N 0.18 0.06 0.41 1.42 0.02 -1.91 -1.28 113.55 112.45 3bzc h SER 144 Ca 0.39 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.24 3bzc h SER 144 Cb 0.67 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3bzc h SER 144 CO -0.56 0.04 -0.45 -0.33 -1.14 0.00 0.00 176.83 174.40 3bzc h GLU 145 N 0.07 0.05 0.00 3.45 4.39 -0.31 -2.85 114.58 119.39 3bzc h GLU 145 Ca 0.02 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3bzc h GLU 145 Cb -0.01 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3bzc h GLU 145 CO -0.01 0.49 -0.25 0.00 -1.16 0.00 0.00 179.01 178.08 3bzc h ALA 146 N 1.51 0.94 -0.51 3.43 0.00 0.11 -3.28 119.26 121.45 3bzc h ALA 146 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3bzc h ALA 146 Cb 0.81 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3bzc h ALA 146 CO 0.06 0.32 0.32 0.00 0.00 0.00 0.00 179.25 179.94 3bzc h ALA 147 N 1.75 0.65 0.00 0.00 0.00 -0.98 -1.32 119.26 119.36 3bzc h ALA 147 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bzc h ALA 147 Cb 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bzc h ALA 147 CO 0.03 0.04 0.00 -0.09 0.00 0.00 0.00 179.25 179.23 3bzc h ARG 148 N 0.64 0.00 -0.17 0.00 2.43 -1.71 -2.63 114.38 112.93 3bzc h ARG 148 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3bzc h ARG 148 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3bzc h ARG 148 CO -0.07 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.58 3bzc n PHE 149 N -3.00 0.20 -1.69 2.20 3.01 -0.50 -4.93 117.46 112.74 3bzc n PHE 149 Ca -0.03 -0.10 -0.45 0.00 1.01 0.00 0.00 57.45 57.88 3bzc n PHE 149 Cb 0.08 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 3bzc n PHE 149 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3bzc n VAL 150 N 1.35 0.01 -0.39 -4.37 0.31 -1.00 -4.87 118.33 109.38 3bzc n VAL 150 Ca 0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3bzc n VAL 150 Cb 0.58 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3bzc n VAL 150 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3bzc n ASP 151 N 3.60 1.12 -2.98 4.52 8.00 0.32 -4.99 116.55 126.14 3bzc n ASP 151 Ca 0.17 -1.50 -0.12 0.00 0.71 0.00 0.00 54.79 54.04 3bzc n ASP 151 Cb 0.31 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3bzc n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bzc n ALA 152 N -0.25 -2.90 -3.01 2.24 0.00 -0.52 -2.35 120.51 113.71 3bzc n ALA 152 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 53.44 54.10 3bzc n ALA 152 Cb 0.30 -2.77 -0.01 0.00 0.00 0.00 0.00 19.45 16.97 3bzc n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bzc n GLU 153 N 0.01 -2.68 -0.10 0.00 1.02 -1.26 -4.61 120.64 113.02 3bzc n GLU 153 Ca 0.05 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.58 3bzc n GLU 153 Cb 0.42 -4.91 0.29 0.00 -0.02 0.00 0.00 31.44 27.22 3bzc n GLU 153 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3bzc n LYS 154 N -3.16 1.63 0.00 3.49 4.81 -0.99 -4.84 118.16 119.09 3bzc n LYS 154 Ca -0.02 -0.96 0.00 0.00 -0.87 0.00 0.00 58.31 56.46 3bzc n LYS 154 Cb 0.53 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.27 3bzc n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bzc n GLY 155 N 1.02 1.88 2.91 3.14 0.00 -1.26 -4.90 105.19 107.98 3bzc n GLY 155 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3bzc n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bzc s PHE 156 N -2.16 1.92 0.00 1.61 0.40 -1.26 -4.97 117.98 113.52 3bzc s PHE 156 Ca 0.00 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 3bzc s PHE 156 Cb 0.00 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.12 3bzc s PHE 156 CO 0.00 -0.67 0.69 0.00 0.70 0.00 0.00 175.22 175.94 3bzc n ALA 157 N 4.81 1.43 -3.12 5.36 0.00 -1.26 0.12 120.51 127.86 3bzc n ALA 157 Ca -0.12 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.52 3bzc n ALA 157 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 3bzc n ALA 157 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bzc s ASP 158 N -0.42 0.00 0.34 0.00 -1.08 -1.26 -4.94 116.67 109.32 3bzc s ASP 158 Ca 0.00 -0.17 0.06 0.00 -0.52 0.00 0.00 52.55 51.93 3bzc s ASP 158 Cb 0.00 0.22 0.74 0.00 -1.46 0.00 0.00 42.92 42.42 3bzc s ASP 158 CO 0.00 -0.37 1.89 0.58 0.52 0.00 0.00 175.17 177.79 3bzc h VAL 159 N 4.24 0.91 -0.42 1.11 2.07 -1.94 -1.29 116.25 120.93 3bzc h VAL 159 Ca -0.31 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3bzc h VAL 159 Cb 1.19 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3bzc h VAL 159 CO 0.40 0.14 0.08 0.50 0.02 0.00 0.00 177.57 178.72 3bzc h LYS 160 N 0.78 0.68 -0.62 1.57 3.64 -1.96 -1.24 116.57 119.42 3bzc h LYS 160 Ca 0.42 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3bzc h LYS 160 Cb 0.55 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3bzc h LYS 160 CO -0.19 0.71 0.35 0.00 -2.27 0.00 0.00 179.45 178.06 3bzc h ALA 161 N 0.94 0.80 -0.63 5.00 0.00 -1.82 -1.10 119.26 122.44 3bzc h ALA 161 Ca 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bzc h ALA 161 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3bzc h ALA 161 CO 0.01 0.31 0.41 0.28 0.00 0.00 0.00 179.25 180.25 3bzc h VAL 162 N 0.85 1.13 0.00 0.00 2.07 -0.99 -1.43 116.25 117.88 3bzc h VAL 162 Ca 0.22 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 3bzc h VAL 162 Cb 0.03 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3bzc h VAL 162 CO -0.04 0.15 -0.57 -0.07 0.02 0.00 0.00 177.57 177.07 3bzc h LEU 163 N 0.82 0.00 0.53 2.57 3.38 -0.92 -1.23 115.31 120.47 3bzc h LEU 163 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3bzc h LEU 163 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3bzc h LEU 163 CO -0.07 0.57 -0.36 -0.08 0.09 0.00 0.00 178.44 178.59 3bzc h GLU 164 N 0.00 -0.83 -0.31 1.13 4.57 -0.74 -1.15 114.58 117.25 3bzc h GLU 164 Ca -0.01 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3bzc h GLU 164 Cb 1.15 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.85 3bzc h GLU 164 CO 0.07 -0.56 -0.37 0.78 -1.18 0.00 0.00 179.01 177.76 3bzc h GLY 165 N -0.86 -0.45 1.16 1.92 0.00 -0.99 -0.74 103.07 103.11 3bzc h GLY 165 Ca -0.06 0.47 0.07 0.00 0.00 0.00 0.00 47.33 47.81 3bzc h GLY 165 CO 0.04 -0.21 0.38 0.00 0.00 0.00 0.00 176.54 176.76 3bzc h ALA 166 N 0.50 1.91 -0.35 3.60 0.00 -1.20 -1.76 119.26 121.95 3bzc h ALA 166 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3bzc h ALA 166 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3bzc h ALA 166 CO -0.49 -0.01 0.15 -0.22 0.00 0.00 0.00 179.25 178.67 3bzc h LYS 167 N 0.49 0.51 -0.54 0.00 3.64 0.15 -2.65 116.57 118.17 3bzc h LYS 167 Ca 0.25 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3bzc h LYS 167 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3bzc h LYS 167 CO -0.07 0.49 0.07 1.88 -2.27 0.00 0.00 179.45 179.55 3bzc h TYR 168 N 0.42 0.90 -0.81 1.91 -1.99 -0.53 -0.79 116.97 116.08 3bzc h TYR 168 Ca 0.12 -0.11 0.07 0.00 2.00 0.00 0.00 58.73 60.81 3bzc h TYR 168 Cb 0.16 -0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.57 3bzc h TYR 168 CO -0.01 0.79 0.48 0.82 -0.00 0.00 0.00 178.16 180.24 3bzc h ILE 169 N 0.81 0.98 0.03 -2.88 2.04 -1.10 -1.69 117.51 115.71 3bzc h ILE 169 Ca 0.17 -0.29 -0.26 0.00 1.00 0.00 0.00 64.86 65.47 3bzc h ILE 169 Cb 0.38 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3bzc h ILE 169 CO 0.01 0.16 -1.07 -0.07 0.00 0.00 0.00 178.15 177.18 3bzc h LEU 170 N 0.86 0.78 0.02 1.44 3.38 -1.09 -2.56 115.31 118.14 3bzc h LEU 170 Ca 0.37 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3bzc h LEU 170 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3bzc h LEU 170 CO -0.20 1.46 -0.13 0.24 0.09 0.00 0.00 178.44 179.90 3bzc h MET 171 N 0.32 -0.22 -0.27 1.13 2.86 -0.91 0.44 114.93 118.27 3bzc h MET 171 Ca -0.13 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3bzc h MET 171 Cb 1.72 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 3bzc h MET 171 CO 0.20 -0.15 0.08 0.93 1.06 0.00 0.00 176.91 179.03 3bzc h GLU 172 N -0.23 0.39 -0.10 1.72 5.08 -1.39 0.18 114.58 120.22 3bzc h GLU 172 Ca 0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3bzc h GLU 172 Cb 0.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3bzc h GLU 172 CO -0.12 0.35 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.90 3bzc h ARG 173 N 0.39 0.36 -0.66 2.33 2.43 -0.98 -3.24 114.38 115.01 3bzc h ARG 173 Ca 0.10 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 3bzc h ARG 173 Cb 0.13 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3bzc h ARG 173 CO -0.01 0.86 0.19 0.74 -1.51 0.00 0.00 179.97 180.24 3bzc h PHE 174 N -0.08 1.05 -0.07 2.20 0.05 0.52 -3.12 116.94 117.49 3bzc h PHE 174 Ca -0.00 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.68 3bzc h PHE 174 Cb 0.86 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.51 3bzc h PHE 174 CO 0.11 0.85 0.00 0.00 -0.18 0.00 0.00 178.31 179.09 3bzc n ALA 175 N -2.45 2.51 -1.40 2.45 0.00 0.56 -2.81 120.51 119.36 3bzc n ALA 175 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.41 3bzc n ALA 175 Cb 0.23 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 18.73 3bzc n ALA 175 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3bzc n GLU 176 N -0.34 0.89 -2.95 0.00 0.28 -1.18 -4.96 120.64 112.39 3bzc n GLU 176 Ca 0.05 -2.14 -0.44 0.00 -0.16 0.00 0.00 57.16 54.48 3bzc n GLU 176 Cb 0.08 -1.18 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 3bzc n GLU 176 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3bzc s ASP 177 N -2.33 6.19 0.26 -1.84 -1.08 -1.12 -4.38 116.67 112.36 3bzc s ASP 177 Ca 0.23 -1.06 -0.04 0.00 -0.52 0.00 0.00 52.55 51.15 3bzc s ASP 177 Cb 0.21 -2.38 0.51 0.00 -1.46 0.00 0.00 42.92 39.80 3bzc s ASP 177 CO 0.01 -1.30 1.64 0.00 0.52 0.00 0.00 175.17 176.05 3bzc h ALA 178 N 9.40 0.94 -0.61 3.66 0.00 -1.92 -0.25 119.26 130.48 3bzc h ALA 178 Ca -0.29 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3bzc h ALA 178 Cb 1.08 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3bzc h ALA 178 CO 1.14 -0.42 0.30 1.15 0.00 0.00 0.00 179.25 181.41 3bzc h THR 179 N 0.15 1.21 -0.34 0.00 2.02 -1.92 -1.71 112.91 112.32 3bzc h THR 179 Ca 0.45 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3bzc h THR 179 Cb 0.82 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3bzc h THR 179 CO -0.64 0.25 -0.14 0.25 0.37 0.00 0.00 175.52 175.60 3bzc h LEU 180 N 0.84 0.72 -0.91 2.58 5.85 -1.49 -1.69 115.31 121.21 3bzc h LEU 180 Ca 0.21 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3bzc h LEU 180 Cb 0.12 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3bzc h LEU 180 CO -0.03 0.95 0.53 -0.07 -0.34 0.00 0.00 178.44 179.49 3bzc h LEU 181 N 0.48 1.10 0.38 2.25 3.38 -0.98 0.65 115.31 122.58 3bzc h LEU 181 Ca 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3bzc h LEU 181 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3bzc h LEU 181 CO 0.05 0.86 -0.18 -0.78 0.09 0.00 0.00 178.44 178.47 3bzc h ASP 182 N 1.25 -0.44 -0.45 -0.43 1.82 -1.18 0.15 116.42 117.14 3bzc h ASP 182 Ca 0.32 -0.07 0.05 0.00 -0.39 0.00 0.00 57.03 56.94 3bzc h ASP 182 Cb -0.02 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3bzc h ASP 182 CO -0.06 -0.19 0.30 0.50 -1.61 0.00 0.00 179.24 178.18 3bzc h LYS 183 N -0.67 0.41 -0.07 0.28 3.64 -1.05 0.25 116.57 119.35 3bzc h LYS 183 Ca -0.05 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 3bzc h LYS 183 Cb 0.48 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3bzc h LYS 183 CO 0.09 0.27 -0.57 -0.07 -2.27 0.00 0.00 179.45 176.90 3bzc h LEU 184 N 0.43 0.62 -0.43 5.20 3.38 -0.71 -2.17 115.31 121.63 3bzc h LEU 184 Ca 0.19 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3bzc h LEU 184 Cb 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3bzc h LEU 184 CO -0.05 1.21 0.04 -0.09 0.09 0.00 0.00 178.44 179.64 3bzc h ARG 185 N 0.09 0.74 -0.09 1.13 2.43 0.05 0.84 114.38 119.57 3bzc h ARG 185 Ca -0.05 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3bzc h ARG 185 Cb 1.23 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3bzc h ARG 185 CO 0.12 0.79 0.04 0.28 -1.51 0.00 0.00 179.97 179.69 3bzc h VAL 186 N 0.58 1.10 -0.16 0.20 2.07 -1.07 -1.20 116.25 117.78 3bzc h VAL 186 Ca 0.13 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3bzc h VAL 186 Cb 0.43 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3bzc h VAL 186 CO 0.02 0.09 0.03 0.15 0.02 0.00 0.00 177.57 177.88 3bzc h PHE 187 N 0.02 0.06 -0.66 1.57 3.57 -1.16 -2.20 116.94 118.14 3bzc h PHE 187 Ca 0.03 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3bzc h PHE 187 Cb 0.11 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3bzc h PHE 187 CO -0.04 0.02 0.35 0.52 -2.23 0.00 0.00 178.31 176.94 3bzc h MET 188 N 0.10 0.61 -0.31 1.11 2.86 -0.76 -0.10 114.93 118.44 3bzc h MET 188 Ca 0.07 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3bzc h MET 188 Cb 0.06 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 3bzc h MET 188 CO -0.09 0.40 -0.06 -0.22 1.06 0.00 0.00 176.91 178.01 3bzc h LYS 189 N 0.63 0.02 -0.23 1.72 1.63 -0.69 0.74 116.57 120.38 3bzc h LYS 189 Ca 0.31 -0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.91 3bzc h LYS 189 Cb 0.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3bzc h LYS 189 CO -0.21 0.02 -0.62 -0.91 -3.45 0.00 0.00 179.45 174.27 3bzc h ASN 190 N 0.02 0.90 0.00 4.20 2.35 -0.88 -3.27 115.58 118.90 3bzc h ASN 190 Ca 0.15 -0.52 -0.33 0.00 -0.55 0.00 0.00 56.30 55.05 3bzc h ASN 190 Cb 0.22 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 3bzc h ASN 190 CO -0.30 1.30 -2.20 -0.62 -1.65 0.00 0.00 177.43 173.96 3bzc n GLU 191 N -3.97 0.50 -1.51 0.81 4.71 -0.10 -4.84 120.64 116.25 3bzc n GLU 191 Ca -0.05 0.15 -0.37 0.00 -0.01 0.00 0.00 57.16 56.88 3bzc n GLU 191 Cb 0.66 -1.37 0.06 0.00 -1.01 0.00 0.00 31.44 29.78 3bzc n GLU 191 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3bzc n ALA 192 N -3.42 -0.31 -2.43 0.62 0.00 0.24 -4.80 120.51 110.41 3bzc n ALA 192 Ca -0.39 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 3bzc n ALA 192 Cb 0.86 -2.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 3bzc n ALA 192 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bzc s THR 193 N -1.65 2.05 0.11 0.00 -4.23 -1.15 -2.64 115.64 108.13 3bzc s THR 193 Ca 0.74 -1.10 -0.31 0.00 -1.18 0.00 0.00 61.69 59.84 3bzc s THR 193 Cb -0.40 -1.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.66 3bzc s THR 193 CO 0.50 0.58 1.27 -0.22 -0.54 0.00 0.00 174.62 176.20 3bzc s LEU 194 N -0.49 4.39 -0.20 4.79 2.96 0.15 -1.68 118.68 128.60 3bzc s LEU 194 Ca 0.06 2.18 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 3bzc s LEU 194 Cb -0.11 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.02 3bzc s LEU 194 CO 0.00 -0.52 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.46 3bzc s THR 195 N 0.81 2.03 -0.31 3.68 2.01 0.11 -1.43 115.64 122.54 3bzc s THR 195 Ca 0.59 -1.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 3bzc s THR 195 Cb -0.33 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3bzc s THR 195 CO 0.31 0.38 0.13 0.00 -0.69 0.00 0.00 174.62 174.75 3bzc s ALA 196 N 1.26 3.20 -0.05 7.40 0.00 0.19 -2.56 121.76 131.20 3bzc s ALA 196 Ca 0.01 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3bzc s ALA 196 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3bzc s ALA 196 CO -0.11 -0.97 -0.10 1.03 0.00 0.00 0.00 175.76 175.61 3bzc s ARG 197 N 1.56 1.41 0.61 0.00 3.00 -0.77 -1.08 118.95 123.68 3bzc s ARG 197 Ca 0.03 -0.35 -0.19 0.00 0.00 0.00 0.00 55.73 55.23 3bzc s ARG 197 Cb -0.17 -1.22 -0.03 0.00 0.00 0.00 0.00 34.95 33.53 3bzc s ARG 197 CO 0.05 0.03 1.23 1.55 0.00 0.00 0.00 175.30 178.16 3bzc n VAL 198 N 3.73 4.36 -1.76 3.52 3.14 -0.91 0.44 118.33 130.86 3bzc n VAL 198 Ca -0.22 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.36 3bzc n VAL 198 Cb 0.52 -1.45 0.14 0.00 -1.06 0.00 0.00 33.84 31.99 3bzc n VAL 198 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3bzc s VAL 199 N -1.39 1.97 1.04 1.55 -7.23 -0.62 -4.68 120.40 111.05 3bzc s VAL 199 Ca 0.78 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.83 3bzc s VAL 199 Cb -0.40 -2.90 0.17 0.00 0.56 0.00 0.00 36.38 33.81 3bzc s VAL 199 CO 0.44 0.00 0.81 -2.65 -0.31 0.00 0.00 175.10 173.40 3bzc n PRO 200 N -3.68 -1.29 0.00 4.82 -0.02 -1.26 -3.11 135.00 130.46 3bzc n PRO 200 Ca 0.10 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3bzc n PRO 200 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3bzc n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bzc n GLY 201 N 0.98 2.08 2.96 -1.23 0.00 -1.26 -4.23 105.19 104.49 3bzc n GLY 201 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3bzc n GLY 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bzc n LYS 202 N -2.00 -2.51 -1.61 1.61 5.02 -1.18 -4.65 118.16 112.83 3bzc n LYS 202 Ca 0.00 0.11 -0.58 0.00 -2.02 0.00 0.00 58.31 55.82 3bzc n LYS 202 Cb 0.00 -4.65 -0.08 0.00 -0.02 0.00 0.00 35.03 30.29 3bzc n LYS 202 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bzc n GLU 203 N -2.92 0.60 0.00 1.97 1.02 -1.26 -4.79 120.64 115.25 3bzc n GLU 203 Ca 0.01 0.22 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 3bzc n GLU 203 Cb 0.50 -1.80 0.49 0.00 -0.02 0.00 0.00 31.44 30.62 3bzc n GLU 203 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3bzc n GLN 204 N 3.01 0.11 0.24 3.49 6.02 -1.26 -3.02 117.38 125.98 3bzc n GLN 204 Ca 0.23 0.11 0.17 0.00 -0.01 0.00 0.00 57.00 57.49 3bzc n GLN 204 Cb 0.10 -1.50 0.81 0.00 1.02 0.00 0.00 30.24 30.67 3bzc n GLN 204 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3bzc h GLU 205 N 0.00 0.00 -1.14 -1.09 5.08 -1.96 -1.34 114.58 114.13 3bzc h GLU 205 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 3bzc h GLU 205 Cb 0.31 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.34 3bzc h GLU 205 CO 0.00 0.00 0.57 0.41 -1.00 0.00 0.00 179.01 178.99 3bzc n GLY 206 N -0.68 4.42 0.28 -3.84 0.00 -1.17 -4.53 105.19 99.67 3bzc n GLY 206 Ca -0.01 -1.26 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 3bzc n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzc h ALA 207 N 1.51 1.38 -0.45 4.61 0.00 -1.50 -0.95 119.26 123.86 3bzc h ALA 207 Ca 0.46 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3bzc h ALA 207 Cb 1.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3bzc h ALA 207 CO 1.00 0.44 0.30 -0.22 0.00 0.00 0.00 179.25 180.76 3bzc h LYS 208 N 0.54 0.46 -0.37 0.00 3.64 -1.86 -1.57 116.57 117.41 3bzc h LYS 208 Ca 0.12 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3bzc h LYS 208 Cb 0.29 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3bzc h LYS 208 CO 0.01 0.30 0.03 1.19 -2.27 0.00 0.00 179.45 178.71 3bzc n PHE 209 N -4.48 1.24 -0.24 1.91 3.01 -0.64 -4.66 117.46 113.60 3bzc n PHE 209 Ca 0.05 -1.17 0.30 0.00 1.01 0.00 0.00 57.45 57.63 3bzc n PHE 209 Cb 0.17 -0.44 0.71 0.00 -0.01 0.00 0.00 39.48 39.91 3bzc n PHE 209 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3bzc h SER 210 N 1.63 0.05 0.30 4.37 4.64 -0.15 0.33 113.55 124.72 3bzc h SER 210 Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3bzc h SER 210 Cb 1.67 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3bzc h SER 210 CO 0.37 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.81 3bzc n ASP 211 N -4.28 0.00 -1.55 4.97 8.00 -1.26 -3.30 116.55 119.14 3bzc n ASP 211 Ca 0.21 -0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 3bzc n ASP 211 Cb 1.03 -0.25 0.09 0.00 -0.02 0.00 0.00 41.12 41.97 3bzc n ASP 211 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3bzc n TYR 212 N -1.25 1.44 -0.00 1.24 0.53 0.12 -4.68 117.16 114.55 3bzc n TYR 212 Ca 0.09 -1.84 -0.10 0.00 -1.02 0.00 0.00 57.90 55.03 3bzc n TYR 212 Cb 0.13 -0.29 -0.14 0.00 -1.03 0.00 0.00 39.34 38.02 3bzc n TYR 212 CO 0.00 0.00 0.00 0.74 -1.02 0.00 0.00 176.86 176.58 3bzc h PHE 213 N 1.72 0.09 -1.96 -0.72 -1.00 -1.68 -3.33 116.94 110.06 3bzc h PHE 213 Ca 0.15 -0.06 -0.54 0.00 2.81 0.00 0.00 57.97 60.32 3bzc h PHE 213 Cb 1.35 -0.00 -0.37 0.00 3.61 0.00 0.00 35.95 40.53 3bzc h PHE 213 CO 0.74 1.12 -1.05 -1.91 -1.61 0.00 0.00 178.31 175.60 3bzc n GLU 214 N -3.15 0.62 -4.69 1.51 2.13 -1.22 -2.14 120.64 113.69 3bzc n GLU 214 Ca -0.17 -3.13 -0.33 0.00 0.66 0.00 0.00 57.16 54.19 3bzc n GLU 214 Cb 1.04 -1.31 -0.15 0.00 0.27 0.00 0.00 31.44 31.29 3bzc n GLU 214 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3bzc s HIS 215 N -0.85 2.74 0.01 4.31 2.46 -0.24 -4.99 115.29 118.74 3bzc s HIS 215 Ca 0.34 -1.00 0.07 0.00 0.47 0.00 0.00 55.06 54.95 3bzc s HIS 215 Cb 0.15 -1.85 -0.03 0.00 -0.13 0.00 0.00 32.58 30.72 3bzc s HIS 215 CO -0.13 -0.43 -0.21 -0.51 -2.47 0.00 0.00 174.74 170.99 3bzc s ASP 216 N 0.66 3.53 -0.16 9.88 -0.00 -1.26 0.57 116.67 129.90 3bzc s ASP 216 Ca -0.09 -0.43 -0.24 0.00 -0.00 0.00 0.00 52.55 51.80 3bzc s ASP 216 Cb -0.16 -0.52 0.06 0.00 -0.00 0.00 0.00 42.92 42.30 3bzc s ASP 216 CO 0.02 0.29 0.61 -0.70 -0.00 0.00 0.00 175.17 175.39 3bzc s GLU 217 N -1.08 0.82 0.25 8.23 2.12 -0.52 -5.01 118.70 123.52 3bzc s GLU 217 Ca 0.12 0.58 -0.31 0.00 0.36 0.00 0.00 54.97 55.72 3bzc s GLU 217 Cb -0.10 0.39 -0.12 0.00 0.26 0.00 0.00 34.13 34.56 3bzc s GLU 217 CO 0.02 -0.17 1.60 -0.35 -0.54 0.00 0.00 175.26 175.82 3bzc n PRO 218 N 2.04 2.57 -0.08 4.30 -0.04 -1.26 0.34 135.00 142.87 3bzc n PRO 218 Ca -0.16 0.92 -0.08 0.00 -0.04 0.00 0.00 63.50 64.13 3bzc n PRO 218 Cb 0.56 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.31 3bzc n PRO 218 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3bzc h LEU 219 N 5.32 0.22 0.00 1.53 5.85 -1.74 -2.72 115.31 123.77 3bzc h LEU 219 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3bzc h LEU 219 Cb 1.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3bzc h LEU 219 CO 0.84 0.16 0.00 2.29 -0.34 0.00 0.00 178.44 181.39 3bzc n LYS 220 N -4.96 0.48 -0.12 1.25 2.85 -1.23 -2.97 118.16 113.46 3bzc n LYS 220 Ca -0.01 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.31 3bzc n LYS 220 Cb 0.06 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.96 3bzc n LYS 220 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3bzc n SER 221 N -1.12 0.79 -4.66 -5.58 7.64 -1.05 -5.03 113.62 104.61 3bzc n SER 221 Ca 0.13 -1.73 -0.42 0.00 1.01 0.00 0.00 58.87 57.85 3bzc n SER 221 Cb 0.11 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3bzc n SER 221 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bzc s ALA 222 N -0.62 3.63 0.38 -0.43 0.00 -1.09 -4.95 121.76 118.69 3bzc s ALA 222 Ca 0.04 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3bzc s ALA 222 Cb 0.04 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 3bzc s ALA 222 CO 0.00 -1.33 1.15 -1.25 0.00 0.00 0.00 175.76 174.34 3bzc s PRO 223 N 3.87 4.17 0.24 0.00 0.04 -1.26 -4.90 135.00 137.16 3bzc s PRO 223 Ca 0.68 1.82 -0.08 0.00 0.04 0.00 0.00 61.00 63.45 3bzc s PRO 223 Cb -0.30 -2.76 0.40 0.00 0.04 0.00 0.00 34.50 31.89 3bzc s PRO 223 CO 0.25 -0.21 1.63 1.03 0.04 0.00 0.00 177.00 179.74 3bzc h SER 224 N 2.83 -0.40 -0.03 6.66 0.87 -1.94 -2.10 113.55 119.45 3bzc h SER 224 Ca -0.48 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3bzc h SER 224 Cb 1.23 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 63.55 3bzc h SER 224 CO 0.63 -0.19 -0.00 1.12 -0.53 0.00 0.00 176.83 177.86 3bzc h HIS 225 N 0.08 0.06 -0.73 2.24 2.07 -1.93 -2.15 115.15 114.80 3bzc h HIS 225 Ca 0.39 -0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.85 3bzc h HIS 225 Cb 0.68 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.61 3bzc h HIS 225 CO -0.45 0.39 0.26 -0.09 -3.07 0.00 0.00 177.93 174.97 3bzc h ARG 226 N -0.29 1.11 0.80 5.12 2.43 -1.87 0.30 114.38 121.97 3bzc h ARG 226 Ca 0.01 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 3bzc h ARG 226 Cb 0.37 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3bzc h ARG 226 CO 0.00 0.93 -0.41 0.00 -1.51 0.00 0.00 179.97 178.98 3bzc h ALA 227 N 1.12 -1.12 -0.70 2.80 0.00 -1.40 -1.06 119.26 118.90 3bzc h ALA 227 Ca 0.24 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3bzc h ALA 227 Cb 0.26 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3bzc h ALA 227 CO -0.01 -1.13 0.47 -0.07 0.00 0.00 0.00 179.25 178.50 3bzc h LEU 228 N -1.11 0.47 -0.28 0.00 3.38 -1.14 0.13 115.31 116.77 3bzc h LEU 228 Ca -0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3bzc h LEU 228 Cb 0.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3bzc h LEU 228 CO 0.16 0.27 0.08 0.00 0.09 0.00 0.00 178.44 179.04 3bzc h ALA 229 N 1.65 0.36 -0.47 1.53 0.00 -0.79 -2.88 119.26 118.66 3bzc h ALA 229 Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3bzc h ALA 229 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3bzc h ALA 229 CO -0.11 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.28 3bzc h ILE 230 N 0.28 1.11 -0.01 0.00 2.04 0.54 -1.76 117.51 119.71 3bzc h ILE 230 Ca 0.09 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3bzc h ILE 230 Cb 0.27 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3bzc h ILE 230 CO -0.00 0.12 0.02 -0.26 0.00 0.00 0.00 178.15 178.02 3bzc h PHE 231 N 0.63 0.00 0.00 1.37 0.05 -1.02 -1.81 116.94 116.16 3bzc h PHE 231 Ca 0.18 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.97 3bzc h PHE 231 Cb -0.06 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.89 3bzc h PHE 231 CO -0.05 0.00 0.00 0.54 -0.18 0.00 0.00 178.31 178.62 3bzc n ARG 232 N -3.38 0.05 -0.69 1.51 5.12 -0.66 -1.91 116.66 116.71 3bzc n ARG 232 Ca -0.03 0.29 -0.07 0.00 -1.93 0.00 0.00 57.85 56.11 3bzc n ARG 232 Cb 0.09 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.79 3bzc n ARG 232 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bzc n GLY 233 N -0.58 2.45 0.00 -0.13 0.00 -0.68 -4.81 105.19 101.44 3bzc n GLY 233 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3bzc n GLY 233 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3bzc n ARG 234 N 2.35 3.11 -1.18 1.61 1.85 -0.80 -4.42 116.66 119.18 3bzc n ARG 234 Ca 0.25 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.61 3bzc n ARG 234 Cb 0.64 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.97 3bzc n ARG 234 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3bzc n ASN 235 N 0.00 0.78 -2.95 2.89 5.15 -1.26 -0.87 115.26 119.01 3bzc n ASN 235 Ca 0.00 0.75 -0.11 0.00 -0.60 0.00 0.00 54.58 54.62 3bzc n ASN 235 Cb 0.00 -0.67 0.01 0.00 -0.53 0.00 0.00 39.78 38.59 3bzc n ASN 235 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3bzc n GLU 236 N 4.00 -2.26 -4.32 1.20 0.00 -1.26 -5.02 120.64 112.98 3bzc n GLU 236 Ca 0.30 2.00 -0.25 0.00 0.00 0.00 0.00 57.16 59.21 3bzc n GLU 236 Cb -0.04 -5.25 -0.08 0.00 0.00 0.00 0.00 31.44 26.07 3bzc n GLU 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3bzc s GLY 237 N -2.51 1.72 0.00 8.31 0.00 -0.05 -5.01 107.32 109.78 3bzc s GLY 237 Ca 0.25 -1.62 0.20 0.00 0.00 0.00 0.00 44.72 43.55 3bzc s GLY 237 CO 0.78 -1.67 1.24 3.33 0.00 0.00 0.00 173.10 176.79 3bzc n VAL 238 N -0.48 0.28 -4.27 1.40 0.24 -1.26 -4.87 118.33 109.37 3bzc n VAL 238 Ca -0.08 -0.64 -0.18 0.00 -2.04 0.00 0.00 64.34 61.40 3bzc n VAL 238 Cb 0.58 1.17 -0.11 0.00 -1.47 0.00 0.00 33.84 34.01 3bzc n VAL 238 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bzc s LEU 239 N -1.52 2.45 0.02 1.34 1.43 -1.26 -1.59 118.68 119.55 3bzc s LEU 239 Ca 0.29 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 3bzc s LEU 239 Cb 0.19 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.79 3bzc s LEU 239 CO 0.27 -0.15 -0.22 -0.94 0.23 0.00 0.00 176.35 175.53 3bzc s SER 240 N -2.71 2.65 0.04 2.29 1.04 0.17 -4.75 113.70 112.44 3bzc s SER 240 Ca 0.13 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.12 3bzc s SER 240 Cb -0.04 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 3bzc s SER 240 CO 0.04 0.22 -0.14 0.00 0.98 0.00 0.00 173.24 174.34 3bzc s ALA 241 N -0.69 1.19 0.06 5.32 0.00 -1.26 -1.86 121.76 124.54 3bzc s ALA 241 Ca 0.09 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 3bzc s ALA 241 Cb -0.09 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 22.93 3bzc s ALA 241 CO 0.01 0.23 0.76 0.45 0.00 0.00 0.00 175.76 177.20 3bzc s SER 242 N -1.13 -0.46 -0.15 0.00 0.15 -1.06 -4.97 113.70 106.08 3bzc s SER 242 Ca 0.02 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.64 3bzc s SER 242 Cb -0.08 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3bzc s SER 242 CO 0.01 -0.77 0.03 -0.76 1.20 0.00 0.00 173.24 172.96 3bzc s LEU 243 N -2.54 3.70 -0.17 3.45 1.43 -1.26 0.06 118.68 123.35 3bzc s LEU 243 Ca 0.03 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3bzc s LEU 243 Cb -0.01 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.36 3bzc s LEU 243 CO -0.10 0.24 0.05 -0.54 0.23 0.00 0.00 176.35 176.23 3bzc s LYS 244 N -0.04 0.40 -0.51 1.70 1.02 -0.68 -4.89 119.74 116.74 3bzc s LYS 244 Ca 0.05 -0.21 -0.23 0.00 0.02 0.00 0.00 55.97 55.59 3bzc s LYS 244 Cb -0.12 -1.84 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3bzc s LYS 244 CO 0.01 -0.61 0.84 0.08 -0.92 0.00 0.00 175.35 174.75 3bzc s VAL 245 N 1.99 4.56 0.00 3.17 1.01 -1.26 -2.91 120.40 126.95 3bzc s VAL 245 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3bzc s VAL 245 Cb -0.16 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.79 3bzc s VAL 245 CO -0.08 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.70 3bzc n GLY 246 N 5.08 -1.31 3.82 4.51 0.00 -1.26 -4.85 105.19 111.18 3bzc n GLY 246 Ca 0.01 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 3bzc n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bzc s GLU 247 N 0.00 4.18 -0.88 1.61 8.01 -1.26 -4.97 118.70 125.39 3bzc s GLU 247 Ca 0.00 0.75 -0.25 0.00 0.01 0.00 0.00 54.97 55.48 3bzc s GLU 247 Cb 0.00 -3.01 -0.07 0.00 -4.31 0.00 0.00 34.13 26.74 3bzc s GLU 247 CO 0.00 0.49 2.08 -2.00 0.01 0.00 0.00 175.26 175.84 3bzc s GLU 248 N -1.70 2.27 -0.33 1.61 2.56 -1.26 -4.86 118.70 116.99 3bzc s GLU 248 Ca 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 54.97 55.26 3bzc s GLU 248 Cb -0.17 -4.99 0.11 0.00 2.00 0.00 0.00 34.13 31.08 3bzc s GLU 248 CO 0.20 -3.71 0.13 0.00 -0.56 0.00 0.00 175.26 171.32 3bzc s ALA 249 N 11.47 1.61 0.60 6.30 0.00 -1.26 -5.12 121.76 135.36 3bzc s ALA 249 Ca 0.76 -1.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 3bzc s ALA 249 Cb -0.08 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3bzc s ALA 249 CO 0.02 -1.75 1.00 -0.35 0.00 0.00 0.00 175.76 174.68 3bzc n PRO 250 N 4.60 0.95 -0.39 0.00 -0.04 -1.26 -2.72 135.00 136.14 3bzc n PRO 250 Ca 0.00 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3bzc n PRO 250 Cb 0.41 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3bzc n PRO 250 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bzc n GLY 251 N 1.24 1.03 3.40 0.55 0.00 -1.26 -5.03 105.19 105.12 3bzc n GLY 251 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3bzc n GLY 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bzc s THR 252 N -2.94 2.74 0.10 2.61 2.01 -1.10 -5.10 115.64 113.95 3bzc s THR 252 Ca 0.00 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 3bzc s THR 252 Cb 0.00 -2.06 -0.07 0.00 0.01 0.00 0.00 72.50 70.38 3bzc s THR 252 CO 0.00 0.58 1.26 -0.76 -0.69 0.00 0.00 174.62 175.01 3bzc s LEU 253 N -0.46 4.38 0.32 4.42 1.43 -1.26 -4.96 118.68 122.54 3bzc s LEU 253 Ca 0.05 2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 3bzc s LEU 253 Cb -0.12 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 3bzc s LEU 253 CO 0.02 -0.52 1.56 -2.28 0.23 0.00 0.00 176.35 175.35 3bzc s HIS 254 N 0.90 2.71 0.44 0.29 5.65 -1.26 -4.85 115.29 119.18 3bzc s HIS 254 Ca 0.60 0.90 0.23 0.00 0.25 0.00 0.00 55.06 57.04 3bzc s HIS 254 Cb -0.32 -4.05 1.21 0.00 -1.18 0.00 0.00 32.58 28.24 3bzc s HIS 254 CO 0.31 -3.39 1.79 -1.35 -0.65 0.00 0.00 174.74 171.45 3bzc h PRO 255 N 4.32 0.28 -0.15 2.88 0.11 -1.94 0.22 132.00 137.73 3bzc h PRO 255 Ca -0.48 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3bzc h PRO 255 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3bzc h PRO 255 CO 0.75 0.19 -0.59 0.00 -0.21 0.00 0.00 178.00 178.13 3bzc h GLU 257 N 0.36 0.99 -0.55 0.00 5.08 -0.93 0.26 114.58 119.79 3bzc h GLU 257 Ca -0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3bzc h GLU 257 Cb 1.14 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3bzc h GLU 257 CO 0.11 0.66 0.27 0.28 -1.00 0.00 0.00 179.01 179.33 3bzc h VAL 258 N 1.02 1.20 -0.59 3.13 2.07 -1.09 0.38 116.25 122.38 3bzc h VAL 258 Ca 0.38 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3bzc h VAL 258 Cb 0.15 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3bzc h VAL 258 CO -0.17 0.22 -0.04 0.24 0.02 0.00 0.00 177.57 177.85 3bzc h MET 259 N 0.74 1.06 0.49 1.57 2.86 -0.57 0.42 114.93 121.51 3bzc h MET 259 Ca 0.19 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3bzc h MET 259 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3bzc h MET 259 CO -0.03 1.06 -0.32 0.82 1.06 0.00 0.00 176.91 179.51 3bzc h ILE 260 N 0.96 0.35 -0.32 -1.22 2.04 -0.31 0.14 117.51 119.13 3bzc h ILE 260 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 3bzc h ILE 260 Cb 0.60 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3bzc h ILE 260 CO 0.04 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.26 3bzc h ALA 261 N -0.34 0.35 -0.81 1.87 0.00 -0.81 -1.72 119.26 117.79 3bzc h ALA 261 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bzc h ALA 261 Cb 0.64 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3bzc h ALA 261 CO 0.05 -0.33 0.50 1.49 0.00 0.00 0.00 179.25 180.95 3bzc h GLU 262 N 0.19 1.10 -0.13 0.00 4.81 -0.81 0.25 114.58 119.99 3bzc h GLU 262 Ca 0.15 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3bzc h GLU 262 Cb 0.16 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3bzc h GLU 262 CO -0.19 0.76 0.12 -0.09 -0.73 0.00 0.00 179.01 178.88 3bzc h ARG 263 N 1.12 0.00 0.00 1.92 9.65 0.18 -2.37 114.38 124.88 3bzc h ARG 263 Ca 0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3bzc h ARG 263 Cb -0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3bzc h ARG 263 CO -0.06 0.00 -0.01 1.19 2.80 0.00 0.00 179.97 183.90 3bzc n PHE 264 N -4.08 0.00 -3.93 2.20 3.01 0.06 -5.00 117.46 109.72 3bzc n PHE 264 Ca 0.00 -0.96 -0.26 0.00 1.01 0.00 0.00 57.45 57.24 3bzc n PHE 264 Cb 0.23 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 3bzc n PHE 264 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bzc n GLY 265 N -1.37 -0.27 2.80 1.37 0.00 0.62 -4.91 105.19 103.42 3bzc n GLY 265 Ca 0.15 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 3bzc n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bzc n LEU 266 N -4.39 5.89 -4.71 0.99 4.77 0.31 -4.99 117.00 114.87 3bzc n LEU 266 Ca -0.30 -5.35 -0.42 0.00 -0.03 0.00 0.00 56.01 49.92 3bzc n LEU 266 Cb 0.68 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 3bzc n LEU 266 CO 0.74 1.91 0.84 -0.55 -1.33 0.00 0.00 177.39 179.00 3bzc s SER 267 N -2.01 7.14 -0.99 -1.43 0.15 -1.26 -4.78 113.70 110.51 3bzc s SER 267 Ca 0.36 1.93 -0.23 0.00 0.70 0.00 0.00 55.95 58.71 3bzc s SER 267 Cb 0.12 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.90 3bzc s SER 267 CO 0.01 -0.43 1.43 0.21 1.20 0.00 0.00 173.24 175.67 3bzc s ASN 268 N 1.07 6.47 -0.42 5.45 3.84 -1.26 -4.82 114.94 125.26 3bzc s ASN 268 Ca 0.57 -1.37 0.04 0.00 0.21 0.00 0.00 52.86 52.32 3bzc s ASN 268 Cb -0.27 -2.57 0.47 0.00 -0.55 0.00 0.00 41.25 38.33 3bzc s ASN 268 CO 0.29 -1.53 1.56 0.00 -2.79 0.00 0.00 177.10 174.62 3bzc n GLN 269 N 8.91 2.90 -0.79 0.43 6.02 -1.26 -4.92 117.38 128.67 3bzc n GLN 269 Ca 0.30 -3.64 0.00 0.00 -0.01 0.00 0.00 57.00 53.65 3bzc n GLN 269 Cb 0.51 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.58 3bzc n GLN 269 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bzc n GLY 270 N -0.88 0.21 3.60 1.08 0.00 -1.26 -4.97 105.19 102.97 3bzc n GLY 270 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 3bzc n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bzc s ARG 271 N -1.04 -0.05 0.28 1.61 0.52 -1.26 -4.92 118.95 114.08 3bzc s ARG 271 Ca 0.00 0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 3bzc s ARG 271 Cb 0.00 -1.66 0.38 0.00 0.52 0.00 0.00 34.95 34.19 3bzc s ARG 271 CO 0.00 -3.12 1.93 0.00 0.02 0.00 0.00 175.30 174.13 3bzc h ALA 272 N -2.19 1.34 0.00 2.13 0.00 -1.70 -2.73 119.26 116.11 3bzc h ALA 272 Ca -0.56 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3bzc h ALA 272 Cb 1.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3bzc h ALA 272 CO 0.53 0.58 -0.82 0.00 0.00 0.00 0.00 179.25 179.54 3bzc n ALA 273 N -2.41 4.05 0.11 0.00 0.00 0.11 -4.46 120.51 117.91 3bzc n ALA 273 Ca 0.09 -0.47 0.20 0.00 0.00 0.00 0.00 53.44 53.26 3bzc n ALA 273 Cb 0.05 -0.94 0.70 0.00 0.00 0.00 0.00 19.45 19.26 3bzc n ALA 273 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bzc h ASP 274 N 0.00 0.00 0.15 0.00 3.32 -1.63 0.07 116.42 118.33 3bzc h ASP 274 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3bzc h ASP 274 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3bzc h ASP 274 CO 0.00 0.00 -1.67 0.50 -1.72 0.00 0.00 179.24 176.35 3bzc h LYS 275 N 0.00 0.31 -0.47 3.56 3.64 -1.78 -2.50 116.57 119.33 3bzc h LYS 275 Ca 0.19 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3bzc h LYS 275 Cb 1.26 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 3bzc h LYS 275 CO -0.00 1.25 0.07 2.35 -2.27 0.00 0.00 179.45 180.85 3bzc h TRP 276 N -0.07 0.83 -0.40 1.91 7.01 -1.46 -1.73 115.95 122.04 3bzc h TRP 276 Ca -0.35 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.53 3bzc h TRP 276 Cb 1.95 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 28.76 3bzc h TRP 276 CO 0.11 0.77 0.23 -0.07 -2.79 0.00 0.00 178.44 176.69 3bzc h LEU 277 N 0.65 0.49 -0.63 0.65 3.38 -1.17 -0.10 115.31 118.57 3bzc h LEU 277 Ca 0.14 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3bzc h LEU 277 Cb 0.39 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3bzc h LEU 277 CO 0.01 0.41 0.31 0.00 0.09 0.00 0.00 178.44 179.26 3bzc h ALA 278 N 1.10 0.84 0.00 1.53 0.00 -1.33 0.11 119.26 121.50 3bzc h ALA 278 Ca 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3bzc h ALA 278 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bzc h ALA 278 CO -0.03 -0.06 -0.13 1.49 0.00 0.00 0.00 179.25 180.52 3bzc h GLU 279 N 0.56 0.00 0.14 0.00 4.81 -0.64 -0.96 114.58 118.49 3bzc h GLU 279 Ca 0.30 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3bzc h GLU 279 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3bzc h GLU 279 CO -0.23 0.13 -0.07 0.28 -0.73 0.00 0.00 179.01 178.40 3bzc h VAL 280 N 0.00 0.96 -0.98 0.32 2.07 0.10 -1.79 116.25 116.93 3bzc h VAL 280 Ca -0.00 -1.18 0.21 0.00 0.82 0.00 0.00 66.70 66.55 3bzc h VAL 280 Cb 0.27 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3bzc h VAL 280 CO 0.02 0.25 0.62 0.58 0.02 0.00 0.00 177.57 179.05 3bzc h VAL 281 N -0.82 0.66 -0.03 2.57 2.07 -0.76 0.58 116.25 120.52 3bzc h VAL 281 Ca -0.02 -0.19 -0.24 0.00 0.82 0.00 0.00 66.70 67.07 3bzc h VAL 281 Cb 0.54 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3bzc h VAL 281 CO 0.03 0.10 -0.92 -0.09 0.02 0.00 0.00 177.57 176.72 3bzc h ARG 282 N 0.55 0.68 -0.53 1.57 2.43 -1.15 -2.61 114.38 115.32 3bzc h ARG 282 Ca 0.54 -0.69 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 3bzc h ARG 282 Cb 1.14 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3bzc h ARG 282 CO -0.29 1.28 -0.06 -1.49 -1.51 0.00 0.00 179.97 177.90 3bzc h TRP 283 N 0.34 1.04 -0.18 2.20 4.06 -0.59 -1.28 115.95 121.55 3bzc h TRP 283 Ca -0.11 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.70 3bzc h TRP 283 Cb 1.57 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 29.42 3bzc h TRP 283 CO 0.11 0.96 -0.10 1.15 -3.56 0.00 0.00 178.44 177.00 3bzc h THR 284 N 0.86 0.68 0.72 1.49 2.02 -0.91 -0.75 112.91 117.03 3bzc h THR 284 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3bzc h THR 284 Cb 0.59 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3bzc h THR 284 CO 0.04 0.00 -0.42 -0.25 0.37 0.00 0.00 175.52 175.25 3bzc h TRP 285 N -0.10 -1.12 0.00 3.16 2.91 -1.24 -0.14 115.95 119.42 3bzc h TRP 285 Ca 0.10 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 3bzc h TRP 285 Cb 0.25 0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 3bzc h TRP 285 CO -0.25 -0.65 -0.23 0.87 -1.03 0.00 0.00 178.44 177.16 3bzc h LYS 286 N -1.07 0.00 0.00 2.65 1.79 -1.16 -0.10 116.57 118.67 3bzc h LYS 286 Ca -0.09 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.17 3bzc h LYS 286 Cb 0.86 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 3bzc h LYS 286 CO 0.11 0.23 -1.95 0.28 -1.08 0.00 0.00 179.45 177.03 3bzc n VAL 287 N -3.34 0.77 0.01 0.50 0.31 -0.29 -4.81 118.33 111.48 3bzc n VAL 287 Ca 0.01 -0.57 -0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3bzc n VAL 287 Cb 0.46 -0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3bzc n VAL 287 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3bzc n LYS 288 N -2.43 0.03 -0.07 5.55 4.76 -0.17 -4.85 118.16 120.97 3bzc n LYS 288 Ca -0.19 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.14 3bzc n LYS 288 Cb 0.84 -0.26 -0.05 0.00 -1.84 0.00 0.00 35.03 33.72 3bzc n LYS 288 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3bzc h LEU 289 N -0.05 0.43 0.23 -0.35 3.38 -1.23 -2.77 115.31 114.95 3bzc h LEU 289 Ca 0.00 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.60 3bzc h LEU 289 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3bzc h LEU 289 CO 0.00 0.71 -0.33 0.22 0.09 0.00 0.00 178.44 179.14 3bzc h TYR 290 N 0.15 -0.89 -0.73 1.13 3.20 -1.24 0.13 116.97 118.71 3bzc h TYR 290 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3bzc h TYR 290 Cb 0.53 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 3bzc h TYR 290 CO 0.05 -0.45 0.48 0.00 -1.64 0.00 0.00 178.16 176.61 3bzc h THR 291 N -0.62 1.18 -0.66 1.81 1.03 -1.80 0.13 112.91 113.97 3bzc h THR 291 Ca 0.00 -0.34 0.08 0.00 -0.01 0.00 0.00 66.41 66.14 3bzc h THR 291 Cb 0.60 0.11 -0.06 0.00 -1.07 0.00 0.00 68.15 67.73 3bzc h THR 291 CO -0.12 0.18 0.33 -0.74 -0.01 0.00 0.00 175.52 175.16 3bzc h HIS 292 N 0.98 0.60 0.00 0.00 -0.00 -1.13 -1.51 115.15 114.10 3bzc h HIS 292 Ca 0.27 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 3bzc h HIS 292 Cb -0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 3bzc h HIS 292 CO -0.02 0.24 -0.14 -0.07 -0.00 0.00 0.00 177.93 177.94 3bzc h LEU 293 N 0.59 0.00 -0.02 0.26 3.38 -0.13 -2.99 115.31 116.40 3bzc h LEU 293 Ca 0.31 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.01 3bzc h LEU 293 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 3bzc h LEU 293 CO -0.23 0.00 -1.06 -0.08 0.09 0.00 0.00 178.44 177.16 3bzc h GLU 294 N 0.00 0.62 -0.19 1.13 4.81 -0.08 -1.91 114.58 118.96 3bzc h GLU 294 Ca 0.00 -0.70 -0.10 0.00 -0.13 0.00 0.00 59.36 58.43 3bzc h GLU 294 Cb 0.98 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3bzc h GLU 294 CO 0.00 1.29 -0.32 1.15 -0.73 0.00 0.00 179.01 180.39 3bzc h THR 295 N 0.33 1.28 -0.04 0.32 2.02 -1.32 -0.12 112.91 115.38 3bzc h THR 295 Ca -0.13 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 3bzc h THR 295 Cb 1.72 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3bzc h THR 295 CO 0.20 0.43 -0.04 0.44 0.37 0.00 0.00 175.52 176.92 3bzc h ASP 296 N 0.34 0.11 0.44 4.18 3.45 -1.48 -1.95 116.42 121.51 3bzc h ASP 296 Ca 0.04 -0.47 -0.20 0.00 0.43 0.00 0.00 57.03 56.83 3bzc h ASP 296 Cb 0.74 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.47 3bzc h ASP 296 CO 0.06 0.56 -0.86 -0.07 -1.57 0.00 0.00 179.24 177.35 3bzc h LEU 297 N -0.34 0.38 -0.01 1.55 3.38 -1.23 0.90 115.31 119.94 3bzc h LEU 297 Ca 0.01 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3bzc h LEU 297 Cb 0.53 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3bzc h LEU 297 CO 0.01 1.08 0.00 -0.26 0.09 0.00 0.00 178.44 179.36 3bzc h PHE 298 N 0.18 0.01 -0.42 1.13 0.05 -1.11 -1.28 116.94 115.49 3bzc h PHE 298 Ca -0.05 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 3bzc h PHE 298 Cb 1.48 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.41 3bzc h PHE 298 CO 0.04 0.23 0.25 0.78 -0.18 0.00 0.00 178.31 179.43 3bzc h GLY 299 N -0.22 0.62 0.86 -1.45 0.00 -1.19 0.16 103.07 101.85 3bzc h GLY 299 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3bzc h GLY 299 CO 0.00 0.26 0.38 -2.09 0.00 0.00 0.00 176.54 175.08 3bzc h GLU 300 N 0.56 0.72 -0.43 4.80 4.81 -0.82 -1.29 114.58 122.92 3bzc h GLU 300 Ca 0.15 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3bzc h GLU 300 Cb 0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3bzc h GLU 300 CO -0.03 0.47 0.09 1.25 -0.73 0.00 0.00 179.01 180.07 3bzc h LEU 301 N 0.74 0.66 -0.27 1.64 5.85 -0.64 -2.56 115.31 120.73 3bzc h LEU 301 Ca 0.25 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3bzc h LEU 301 Cb 0.03 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3bzc h LEU 301 CO -0.11 0.73 0.16 -0.09 -0.34 0.00 0.00 178.44 178.79 3bzc h ARG 302 N 0.56 0.36 -0.02 1.25 2.43 -0.32 -1.40 114.38 117.24 3bzc h ARG 302 Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3bzc h ARG 302 Cb 0.34 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3bzc h ARG 302 CO 0.00 0.28 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.19 3bzc h ASP 303 N 0.34 -0.33 -0.94 -3.80 3.32 -1.17 0.91 116.42 114.75 3bzc h ASP 303 Ca 0.10 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3bzc h ASP 303 Cb 0.01 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 3bzc h ASP 303 CO -0.02 -0.16 0.61 1.23 -1.72 0.00 0.00 179.24 179.18 3bzc h GLY 304 N -0.18 1.40 1.72 2.75 0.00 -1.17 0.31 103.07 107.90 3bzc h GLY 304 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3bzc h GLY 304 CO -0.13 0.26 -0.71 0.00 0.00 0.00 0.00 176.54 175.96 3bzc h ALA 305 N 1.52 0.69 0.45 3.60 0.00 -0.70 -1.83 119.26 122.98 3bzc h ALA 305 Ca 0.42 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3bzc h ALA 305 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bzc h ALA 305 CO -0.18 0.79 -0.22 1.49 0.00 0.00 0.00 179.25 181.13 3bzc h GLU 306 N 0.19 -0.58 -1.00 0.00 4.81 0.47 -1.41 114.58 117.05 3bzc h GLU 306 Ca -0.02 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 3bzc h GLU 306 Cb 1.27 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.68 3bzc h GLU 306 CO 0.11 -0.33 0.62 -0.44 -0.73 0.00 0.00 179.01 178.24 3bzc h ASP 307 N -1.11 0.83 -0.06 1.04 3.45 -0.52 0.12 116.42 120.17 3bzc h ASP 307 Ca -0.06 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 3bzc h ASP 307 Cb 0.52 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.20 3bzc h ASP 307 CO 0.10 0.36 -0.08 -0.08 -1.57 0.00 0.00 179.24 177.97 3bzc h GLU 308 N 0.84 0.17 -0.74 3.56 4.81 -1.37 -1.37 114.58 120.48 3bzc h GLU 308 Ca 0.54 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 59.78 3bzc h GLU 308 Cb 0.75 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 3bzc h GLU 308 CO -0.33 0.64 0.37 0.00 -0.73 0.00 0.00 179.01 178.96 3bzc h ALA 309 N 0.53 1.04 -0.04 2.92 0.00 -0.41 -1.84 119.26 121.45 3bzc h ALA 309 Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3bzc h ALA 309 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3bzc h ALA 309 CO 0.02 -0.06 -0.49 0.82 0.00 0.00 0.00 179.25 179.54 3bzc h ILE 310 N 0.60 1.35 -0.96 0.00 2.04 -0.69 -1.50 117.51 118.34 3bzc h ILE 310 Ca 0.37 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3bzc h ILE 310 Cb 0.43 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 3bzc h ILE 310 CO -0.29 0.49 0.61 0.28 0.00 0.00 0.00 178.15 179.23 3bzc h SER 311 N 0.07 1.13 -0.10 1.72 0.02 -0.41 -1.02 113.55 114.96 3bzc h SER 311 Ca 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3bzc h SER 311 Cb 0.89 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 3bzc h SER 311 CO 0.07 0.85 -0.07 0.58 -1.14 0.00 0.00 176.83 177.11 3bzc h VAL 312 N 1.31 1.34 -0.50 2.27 2.07 -0.99 -2.42 116.25 119.33 3bzc h VAL 312 Ca 0.35 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3bzc h VAL 312 Cb -0.10 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3bzc h VAL 312 CO -0.07 0.33 0.10 -0.26 0.02 0.00 0.00 177.57 177.70 3bzc h PHE 313 N -0.16 0.17 -0.54 1.57 0.05 -1.09 -1.42 116.94 115.51 3bzc h PHE 313 Ca 0.02 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.80 3bzc h PHE 313 Cb 0.56 -0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.49 3bzc h PHE 313 CO 0.08 0.00 0.17 0.00 -0.18 0.00 0.00 178.31 178.38 3bzc h ALA 314 N 1.38 1.29 -0.08 2.45 0.00 -1.16 -0.66 119.26 122.48 3bzc h ALA 314 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bzc h ALA 314 Cb 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bzc h ALA 314 CO -0.32 0.51 0.04 -0.09 0.00 0.00 0.00 179.25 179.39 3bzc h ARG 315 N 0.78 0.12 -0.24 0.00 9.65 -0.90 -0.76 114.38 123.03 3bzc h ARG 315 Ca 0.18 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 3bzc h ARG 315 Cb 0.22 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 3bzc h ARG 315 CO -0.01 0.21 0.07 -0.91 2.80 0.00 0.00 179.97 182.13 3bzc h ASN 316 N 0.01 0.07 -0.80 -3.80 2.35 -0.56 -0.75 115.58 112.09 3bzc h ASN 316 Ca 0.03 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3bzc h ASN 316 Cb 0.13 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 3bzc h ASN 316 CO -0.00 0.07 0.53 0.25 -1.65 0.00 0.00 177.43 176.63 3bzc h LEU 317 N 0.18 0.86 -0.46 1.61 5.85 -1.12 -1.69 115.31 120.54 3bzc h LEU 317 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3bzc h LEU 317 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3bzc h LEU 317 CO -0.12 0.60 0.29 -0.74 -0.34 0.00 0.00 178.44 178.13 3bzc h HIS 318 N 1.01 0.61 -0.06 1.25 2.76 0.18 -0.50 115.15 120.39 3bzc h HIS 318 Ca 0.31 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 3bzc h HIS 318 Cb 0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 3bzc h HIS 318 CO -0.00 0.42 -0.33 -0.44 -1.30 0.00 0.00 177.93 176.27 3bzc h ASP 319 N 0.62 0.11 0.13 3.26 3.45 -0.82 -2.81 116.42 120.36 3bzc h ASP 319 Ca 0.17 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 3bzc h ASP 319 Cb -0.02 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3bzc h ASP 319 CO -0.03 0.44 -0.06 -0.07 -1.57 0.00 0.00 179.24 177.94 3bzc h LEU 320 N 0.09 -0.15 -2.04 1.55 3.38 -0.91 -2.65 115.31 114.59 3bzc h LEU 320 Ca 0.01 -0.40 0.13 0.00 0.09 0.00 0.00 57.88 57.70 3bzc h LEU 320 Cb 0.64 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3bzc h LEU 320 CO 0.05 0.41 0.36 -0.07 0.09 0.00 0.00 178.44 179.27 3bzc h LEU 321 N -0.80 0.00 -3.06 1.67 3.38 -1.11 -2.19 115.31 113.19 3bzc h LEU 321 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bzc h LEU 321 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3bzc h LEU 321 CO 0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.74 3bzc n LEU 322 N -4.12 3.57 -4.68 1.67 4.77 -1.06 -3.66 117.00 113.48 3bzc n LEU 322 Ca 0.07 -2.45 -0.37 0.00 -0.03 0.00 0.00 56.01 53.23 3bzc n LEU 322 Cb 0.55 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3bzc n LEU 322 CO 0.33 0.72 0.76 0.00 -1.33 0.00 0.00 177.39 177.87 3bzc n ALA 323 N 0.22 0.78 -1.72 -1.18 0.00 -0.82 -4.54 120.51 113.25 3bzc n ALA 323 Ca 0.17 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3bzc n ALA 323 Cb 0.67 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3bzc n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzc s ALA 324 N -1.43 3.74 0.04 0.00 0.00 -1.26 -4.74 121.76 118.10 3bzc s ALA 324 Ca 0.79 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.87 3bzc s ALA 324 Cb -0.40 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 3bzc s ALA 324 CO 0.44 -1.27 1.23 -1.25 0.00 0.00 0.00 175.76 174.91 3bzc s PRO 325 N 2.99 4.40 0.53 0.00 0.04 -1.26 -4.84 135.00 136.84 3bzc s PRO 325 Ca 0.82 1.79 0.20 0.00 0.04 0.00 0.00 61.00 63.85 3bzc s PRO 325 Cb -0.45 -3.40 1.39 0.00 0.04 0.00 0.00 34.50 32.07 3bzc s PRO 325 CO 0.37 -0.33 2.15 0.00 0.04 0.00 0.00 177.00 179.22 3bzc h ALA 326 N 7.01 1.77 0.00 8.56 0.00 -0.55 -3.40 119.26 132.66 3bzc h ALA 326 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3bzc h ALA 326 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3bzc h ALA 326 CO 0.84 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3bzc n GLY 327 N -1.33 -2.57 3.20 0.00 0.00 -0.49 -4.78 105.19 99.23 3bzc n GLY 327 Ca -0.03 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 3bzc n GLY 327 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bzc n PRO 328 N -0.19 1.80 -4.47 1.61 -0.02 -1.26 -4.62 135.00 127.85 3bzc n PRO 328 Ca 0.00 -2.18 -0.22 0.00 -2.02 0.00 0.00 63.50 59.08 3bzc n PRO 328 Cb 0.00 -3.19 -0.16 0.00 -0.02 0.00 0.00 33.50 30.13 3bzc n PRO 328 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bzc s ARG 329 N 5.08 1.23 0.23 -0.52 0.52 -1.25 -4.68 118.95 119.56 3bzc s ARG 329 Ca 0.59 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 55.15 3bzc s ARG 329 Cb 0.10 -1.10 -0.15 0.00 0.52 0.00 0.00 34.95 34.32 3bzc s ARG 329 CO 0.10 0.08 1.06 0.00 0.02 0.00 0.00 175.30 176.56 3bzc n ALA 330 N 3.50 -0.64 -2.95 2.13 0.00 -1.26 -4.34 120.51 116.96 3bzc n ALA 330 Ca -0.20 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 3bzc n ALA 330 Cb 0.53 -2.00 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 3bzc n ALA 330 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bzc s THR 331 N -0.61 0.07 -0.31 0.00 2.01 0.27 -2.40 115.64 114.67 3bzc s THR 331 Ca 0.66 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 3bzc s THR 331 Cb -0.79 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 71.55 3bzc s THR 331 CO 0.56 -0.33 0.10 -0.22 -0.69 0.00 0.00 174.62 174.04 3bzc s LEU 332 N -0.98 4.07 -0.13 4.42 2.96 0.06 -1.46 118.68 127.62 3bzc s LEU 332 Ca -0.11 -0.84 -0.15 0.00 -0.22 0.00 0.00 54.13 52.82 3bzc s LEU 332 Cb -0.07 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3bzc s LEU 332 CO -0.01 -0.25 0.35 -0.83 -1.32 0.00 0.00 176.35 174.30 3bzc s GLY 333 N 1.49 2.29 -0.10 7.98 0.00 0.12 -0.25 107.32 118.84 3bzc s GLY 333 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 3bzc s GLY 333 CO 0.03 0.47 -0.06 1.08 0.00 0.00 0.00 173.10 174.62 3bzc s LEU 334 N 0.28 1.04 -0.45 0.66 1.43 0.66 -0.72 118.68 121.58 3bzc s LEU 334 Ca 0.20 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 3bzc s LEU 334 Cb -0.14 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.41 3bzc s LEU 334 CO 0.07 -0.14 0.34 -0.62 0.23 0.00 0.00 176.35 176.23 3bzc s ASP 335 N 1.77 5.91 0.30 2.29 2.15 -0.23 -1.54 116.67 127.33 3bzc s ASP 335 Ca 0.05 -1.44 -0.30 0.00 0.43 0.00 0.00 52.55 51.29 3bzc s ASP 335 Cb -0.13 -2.09 -0.12 0.00 -0.30 0.00 0.00 42.92 40.28 3bzc s ASP 335 CO -0.08 -0.61 1.56 -2.65 -0.17 0.00 0.00 175.17 173.23 3bzc n PRO 336 N 5.07 2.65 0.04 4.34 -0.02 -1.26 -2.03 135.00 143.78 3bzc n PRO 336 Ca -0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3bzc n PRO 336 Cb 0.43 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3bzc n PRO 336 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bzc n GLY 337 N 1.91 -0.05 5.00 -1.23 0.00 -1.18 -4.37 105.19 105.27 3bzc n GLY 337 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3bzc n GLY 337 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bzc n LEU 338 N -3.02 0.00 0.00 0.99 0.00 -1.26 -4.31 117.00 109.40 3bzc n LEU 338 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3bzc n LEU 338 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3bzc n LEU 338 CO 0.00 0.00 0.21 0.54 0.00 0.00 0.00 177.39 178.14 3bzc n ARG 339 N 0.00 0.00 -0.70 1.96 1.74 -1.26 -3.72 116.66 114.68 3bzc n ARG 339 Ca 0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3bzc n ARG 339 Cb 0.00 -0.91 0.26 0.00 -1.02 0.00 0.00 32.46 30.79 3bzc n ARG 339 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3bzc n THR 340 N -0.63 2.13 -0.60 0.55 -2.24 -1.26 -5.02 114.28 107.20 3bzc n THR 340 Ca 0.00 -1.09 0.08 0.00 -2.27 0.00 0.00 64.05 60.77 3bzc n THR 340 Cb 0.00 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 3bzc n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bzc n GLY 341 N 0.22 -1.54 3.80 3.38 0.00 -1.24 -4.85 105.19 104.95 3bzc n GLY 341 Ca 0.25 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3bzc n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bzc s VAL 342 N -1.52 5.31 -0.25 1.61 1.01 -0.89 -3.22 120.40 122.46 3bzc s VAL 342 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 3bzc s VAL 342 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3bzc s VAL 342 CO 0.00 0.50 0.30 -0.54 0.00 0.00 0.00 175.10 175.36 3bzc s LYS 343 N -0.32 4.06 0.07 2.72 -0.14 -0.86 -2.32 119.74 122.95 3bzc s LYS 343 Ca 0.17 -0.05 0.02 0.00 -1.36 0.00 0.00 55.97 54.74 3bzc s LYS 343 Cb -0.13 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 3bzc s LYS 343 CO 0.05 -0.11 0.13 0.08 -0.76 0.00 0.00 175.35 174.74 3bzc s VAL 344 N 1.56 4.88 -0.07 3.17 1.01 0.12 -1.06 120.40 130.00 3bzc s VAL 344 Ca 0.13 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3bzc s VAL 344 Cb -0.15 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3bzc s VAL 344 CO 0.08 0.13 0.37 0.00 0.00 0.00 0.00 175.10 175.68 3bzc s ALA 345 N -1.43 -0.92 -0.11 5.51 0.00 0.10 -2.01 121.76 122.89 3bzc s ALA 345 Ca 0.31 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.01 3bzc s ALA 345 Cb -0.13 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3bzc s ALA 345 CO 0.24 -0.23 -0.18 0.08 0.00 0.00 0.00 175.76 175.67 3bzc s VAL 346 N -0.67 1.68 -0.05 0.00 1.01 0.33 0.11 120.40 122.82 3bzc s VAL 346 Ca -0.08 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3bzc s VAL 346 Cb -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3bzc s VAL 346 CO 0.03 0.48 -0.15 0.68 0.00 0.00 0.00 175.10 176.14 3bzc s VAL 347 N 0.84 1.30 0.70 2.92 -7.23 -0.53 0.03 120.40 118.43 3bzc s VAL 347 Ca -0.09 -0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 3bzc s VAL 347 Cb -0.15 -1.14 0.17 0.00 0.56 0.00 0.00 36.38 35.82 3bzc s VAL 347 CO -0.00 0.38 0.67 -0.90 -0.31 0.00 0.00 175.10 174.94 3bzc n ASP 348 N 3.35 -1.33 0.34 4.85 5.75 0.25 -0.57 116.55 129.19 3bzc n ASP 348 Ca -0.19 -0.96 0.19 0.00 -0.01 0.00 0.00 54.79 53.82 3bzc n ASP 348 Cb 0.53 -0.59 1.04 0.00 -1.03 0.00 0.00 41.12 41.06 3bzc n ASP 348 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bzc h ALA 349 N -2.33 1.17 -0.03 2.12 0.00 -1.84 0.51 119.26 118.86 3bzc h ALA 349 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bzc h ALA 349 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bzc h ALA 349 CO 0.16 -0.16 -0.01 0.25 0.00 0.00 0.00 179.25 179.49 3bzc n THR 350 N -3.01 0.00 -0.27 0.00 -2.24 -1.26 -3.83 114.28 103.68 3bzc n THR 350 Ca -0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3bzc n THR 350 Cb 0.22 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3bzc n THR 350 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bzc n GLY 351 N 1.33 0.98 3.76 3.38 0.00 0.17 -5.03 105.19 109.78 3bzc n GLY 351 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3bzc n GLY 351 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bzc s LYS 352 N -0.55 4.22 0.03 1.61 2.47 -1.26 -4.65 119.74 121.61 3bzc s LYS 352 Ca 0.00 2.40 -0.30 0.00 -1.56 0.00 0.00 55.97 56.51 3bzc s LYS 352 Cb 0.00 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 3bzc s LYS 352 CO 0.00 -0.45 0.98 -1.17 0.16 0.00 0.00 175.35 174.87 3bzc s LEU 353 N -1.01 4.40 -0.09 5.43 2.96 -1.26 -0.58 118.68 128.54 3bzc s LEU 353 Ca 0.57 1.71 0.09 0.00 -0.22 0.00 0.00 54.13 56.27 3bzc s LEU 353 Cb -0.44 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.56 3bzc s LEU 353 CO 0.50 -0.22 0.05 0.18 -1.32 0.00 0.00 176.35 175.55 3bzc n LEU 354 N 3.61 0.00 -3.60 -0.68 4.77 0.10 -4.94 117.00 116.27 3bzc n LEU 354 Ca 0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 3bzc n LEU 354 Cb 0.50 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 3bzc n LEU 354 CO 0.52 0.21 0.92 -0.62 -1.33 0.00 0.00 177.39 177.09 3bzc s ASP 355 N -4.07 -0.23 0.41 -1.43 -1.08 -1.22 -5.00 116.67 104.04 3bzc s ASP 355 Ca -0.05 0.21 0.04 0.00 -0.52 0.00 0.00 52.55 52.24 3bzc s ASP 355 Cb 0.03 0.20 -0.05 0.00 -1.46 0.00 0.00 42.92 41.64 3bzc s ASP 355 CO 0.40 -0.24 0.05 0.42 0.52 0.00 0.00 175.17 176.31 3bzc s THR 356 N -1.34 1.28 -0.09 1.71 -4.23 -1.26 -0.51 115.64 111.20 3bzc s THR 356 Ca 0.03 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.23 3bzc s THR 356 Cb -0.01 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 71.34 3bzc s THR 356 CO -0.03 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.14 3bzc s ALA 357 N -3.02 -1.97 -0.32 3.99 0.00 -0.85 -4.93 121.76 114.65 3bzc s ALA 357 Ca 0.26 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 3bzc s ALA 357 Cb 0.06 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.44 3bzc s ALA 357 CO 0.13 -0.69 0.11 0.99 0.00 0.00 0.00 175.76 176.30 3bzc s THR 358 N -2.72 0.88 0.54 0.00 2.01 -1.26 0.11 115.64 115.20 3bzc s THR 358 Ca 0.08 -1.48 0.01 0.00 0.31 0.00 0.00 61.69 60.61 3bzc s THR 358 Cb -0.01 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.87 3bzc s THR 358 CO -0.06 -0.70 0.77 0.68 -0.69 0.00 0.00 174.62 174.62 3bzc s VAL 359 N 1.52 2.83 -0.38 3.82 -7.23 -0.98 -4.93 120.40 115.05 3bzc s VAL 359 Ca 0.11 -0.63 0.12 0.00 -1.81 0.00 0.00 61.98 59.77 3bzc s VAL 359 Cb -0.18 -3.06 0.37 0.00 0.56 0.00 0.00 36.38 34.07 3bzc s VAL 359 CO -0.23 -0.05 0.80 -1.22 -0.31 0.00 0.00 175.10 174.10 3bzc n TYR 360 N -2.33 0.83 0.20 2.82 4.02 -1.26 -2.09 117.16 119.35 3bzc n TYR 360 Ca 0.07 -3.63 0.04 0.00 -0.01 0.00 0.00 57.90 54.38 3bzc n TYR 360 Cb 0.59 -0.41 0.47 0.00 -0.02 0.00 0.00 39.34 39.97 3bzc n TYR 360 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3bzc h PRO 361 N 2.99 0.06 0.00 -0.72 0.13 -1.83 -2.40 132.00 130.22 3bzc h PRO 361 Ca 0.07 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.06 3bzc h PRO 361 Cb 0.96 -0.01 0.04 0.00 0.13 0.00 0.00 31.00 32.13 3bzc h PRO 361 CO 0.54 0.24 0.10 0.72 -0.23 0.00 0.00 178.00 179.37 3bzc n HIS 362 N -4.30 -3.79 0.27 1.56 8.25 -1.26 -2.26 115.22 113.69 3bzc n HIS 362 Ca -0.02 -0.40 -0.17 0.00 -0.26 0.00 0.00 57.72 56.87 3bzc n HIS 362 Cb 0.26 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 3bzc n HIS 362 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bzc h ALA 363 N -1.54 -1.13 0.00 -1.41 0.00 -1.89 0.16 119.26 113.45 3bzc h ALA 363 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bzc h ALA 363 Cb 0.36 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bzc h ALA 363 CO 0.09 -1.17 0.14 -2.30 0.00 0.00 0.00 179.25 176.02 3bzc n PRO 364 N -5.40 0.00 -2.70 0.00 -0.02 -1.26 -2.11 135.00 123.51 3bzc n PRO 364 Ca -0.11 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.62 3bzc n PRO 364 Cb 0.44 -1.64 0.10 0.00 -0.02 0.00 0.00 33.50 32.39 3bzc n PRO 364 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bzc n LYS 365 N -1.31 1.06 -0.84 -0.52 4.81 -1.09 -5.14 118.16 115.13 3bzc n LYS 365 Ca 0.00 -1.70 -0.33 0.00 -0.87 0.00 0.00 58.31 55.41 3bzc n LYS 365 Cb 0.14 -0.16 -0.05 0.00 0.02 0.00 0.00 35.03 34.99 3bzc n LYS 365 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3bzc n ASN 366 N -0.46 0.26 -2.70 3.14 5.15 0.02 -4.65 115.26 116.01 3bzc n ASN 366 Ca -0.04 0.62 -0.07 0.00 -0.60 0.00 0.00 54.58 54.48 3bzc n ASN 366 Cb 0.81 -0.47 0.10 0.00 -0.53 0.00 0.00 39.78 39.69 3bzc n ASN 366 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bzc n GLN 367 N 1.33 1.03 0.06 1.20 6.02 -0.90 -4.94 117.38 121.17 3bzc n GLN 367 Ca 0.13 -1.72 -0.12 0.00 -0.01 0.00 0.00 57.00 55.28 3bzc n GLN 367 Cb 0.01 -0.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.90 3bzc n GLN 367 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 3bzc h TRP 368 N 2.21 -0.10 -0.36 1.08 2.91 -1.81 -2.13 115.95 117.74 3bzc h TRP 368 Ca -0.26 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.74 3bzc h TRP 368 Cb 1.24 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.91 3bzc h TRP 368 CO 0.16 -0.06 0.14 0.22 -1.03 0.00 0.00 178.44 177.86 3bzc h ASP 369 N -0.09 0.51 -0.35 2.65 3.58 -1.95 -2.94 116.42 117.83 3bzc h ASP 369 Ca 0.01 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 3bzc h ASP 369 Cb 0.09 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3bzc h ASP 369 CO -0.02 0.55 0.19 -0.61 -2.88 0.00 0.00 179.24 176.48 3bzc h GLN 370 N 0.44 0.49 -0.21 0.28 4.15 -1.95 -3.06 115.11 115.25 3bzc h GLN 370 Ca 0.12 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.51 3bzc h GLN 370 Cb 0.21 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3bzc h GLN 370 CO -0.01 0.41 0.05 1.15 -1.93 0.00 0.00 178.83 178.50 3bzc h THR 371 N 0.45 0.92 -0.97 2.39 2.02 -1.37 -2.64 112.91 113.70 3bzc h THR 371 Ca 0.12 -0.05 0.15 0.00 0.77 0.00 0.00 66.41 67.41 3bzc h THR 371 Cb 0.06 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.15 3bzc h THR 371 CO -0.02 0.03 0.61 -0.07 0.37 0.00 0.00 175.52 176.43 3bzc h LEU 372 N 0.14 0.78 -0.41 2.58 3.38 -1.41 0.81 115.31 121.17 3bzc h LEU 372 Ca 0.09 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3bzc h LEU 372 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3bzc h LEU 372 CO -0.12 0.36 -0.74 0.00 0.09 0.00 0.00 178.44 178.04 3bzc h ALA 373 N 1.59 0.60 -0.13 1.53 0.00 -1.51 -0.62 119.26 120.73 3bzc h ALA 373 Ca 0.50 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bzc h ALA 373 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bzc h ALA 373 CO -0.27 0.78 0.09 0.28 0.00 0.00 0.00 179.25 180.12 3bzc h VAL 374 N 0.25 1.05 -0.04 0.00 2.07 -0.55 -0.33 116.25 118.69 3bzc h VAL 374 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3bzc h VAL 374 Cb 1.32 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3bzc h VAL 374 CO 0.12 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 3bzc h LEU 375 N 0.17 0.08 -1.43 2.57 3.38 -1.10 -1.60 115.31 117.38 3bzc h LEU 375 Ca 0.05 -0.42 0.13 0.00 0.09 0.00 0.00 57.88 57.73 3bzc h LEU 375 Cb -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3bzc h LEU 375 CO -0.01 0.49 0.53 0.00 0.09 0.00 0.00 178.44 179.54 3bzc h ALA 376 N 0.60 1.94 -0.20 1.53 0.00 -1.09 0.28 119.26 122.31 3bzc h ALA 376 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bzc h ALA 376 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3bzc h ALA 376 CO 0.01 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.16 3bzc h ALA 377 N 1.62 0.26 -0.60 0.00 0.00 -0.80 -0.85 119.26 118.89 3bzc h ALA 377 Ca 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3bzc h ALA 377 Cb 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3bzc h ALA 377 CO -0.15 -0.09 0.23 -0.07 0.00 0.00 0.00 179.25 179.17 3bzc h LEU 378 N 0.14 0.84 -0.24 0.00 3.38 -0.05 0.96 115.31 120.33 3bzc h LEU 378 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3bzc h LEU 378 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3bzc h LEU 378 CO 0.00 0.78 0.01 0.00 0.09 0.00 0.00 178.44 179.33 3bzc h ALA 380 N 0.82 -0.14 -0.34 0.00 0.00 -1.09 0.50 119.26 119.02 3bzc h ALA 380 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3bzc h ALA 380 Cb 0.38 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3bzc h ALA 380 CO 0.01 -0.55 -0.13 -0.22 0.00 0.00 0.00 179.25 178.36 3bzc h LYS 381 N -0.21 -0.07 -0.53 0.00 3.64 -0.70 -3.01 116.57 115.70 3bzc h LYS 381 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bzc h LYS 381 Cb 0.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3bzc h LYS 381 CO 0.02 -0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.88 3bzc n HIS 382 N -5.32 1.02 -3.66 1.91 8.25 -0.14 -4.97 115.22 112.31 3bzc n HIS 382 Ca 0.01 -0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 56.67 3bzc n HIS 382 Cb 0.23 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.24 3bzc n HIS 382 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3bzc n GLN 383 N 0.84 -5.25 -2.15 -0.41 3.00 0.15 -4.91 117.38 108.65 3bzc n GLN 383 Ca 0.21 0.66 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 3bzc n GLN 383 Cb 0.70 -5.31 -0.03 0.00 0.00 0.00 0.00 30.24 25.60 3bzc n GLN 383 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3bzc s VAL 384 N -3.60 3.16 -0.26 5.09 1.01 0.40 -4.65 120.40 121.55 3bzc s VAL 384 Ca 0.03 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 3bzc s VAL 384 Cb -0.01 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.65 3bzc s VAL 384 CO 0.80 0.10 -0.25 -0.62 0.00 0.00 0.00 175.10 175.12 3bzc n GLU 385 N 3.36 0.62 -4.25 2.72 1.02 -1.01 -4.81 120.64 118.29 3bzc n GLU 385 Ca 0.09 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 57.11 3bzc n GLU 385 Cb 0.42 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3bzc n GLU 385 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bzc s LEU 386 N -6.71 2.94 -0.26 -4.62 1.43 -1.14 -1.62 118.68 108.70 3bzc s LEU 386 Ca -0.35 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3bzc s LEU 386 Cb 0.10 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.64 3bzc s LEU 386 CO 0.56 0.17 -0.04 -0.63 0.23 0.00 0.00 176.35 176.64 3bzc s ILE 387 N -1.23 1.70 -0.19 -0.59 1.01 -0.25 -0.76 121.20 120.89 3bzc s ILE 387 Ca 0.21 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 3bzc s ILE 387 Cb -0.11 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3bzc s ILE 387 CO 0.13 -0.19 0.48 0.00 0.00 0.00 0.00 174.94 175.36 3bzc s ALA 388 N 1.29 3.54 -0.11 9.38 0.00 0.65 -0.97 121.76 135.54 3bzc s ALA 388 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3bzc s ALA 388 Cb -0.19 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3bzc s ALA 388 CO -0.08 -0.36 -0.23 0.42 0.00 0.00 0.00 175.76 175.52 3bzc s ILE 389 N 1.44 2.01 0.41 0.00 1.01 -0.66 -0.25 121.20 125.16 3bzc s ILE 389 Ca 0.23 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 3bzc s ILE 389 Cb -0.15 -1.75 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 3bzc s ILE 389 CO 0.09 0.55 1.23 -0.83 0.00 0.00 0.00 174.94 175.98 3bzc s GLY 390 N 0.51 2.89 -0.25 6.18 0.00 -0.59 0.48 107.32 116.54 3bzc s GLY 390 Ca -0.15 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.67 3bzc s GLY 390 CO 0.05 1.64 1.74 1.16 0.00 0.00 0.00 173.10 177.69 3bzc n ASN 391 N 0.06 4.99 -0.77 1.64 6.94 0.09 -4.59 115.26 123.62 3bzc n ASN 391 Ca 0.04 -2.88 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 3bzc n ASN 391 Cb 0.45 -0.87 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 3bzc n ASN 391 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bzc n GLY 392 N 0.13 1.41 3.69 4.83 0.00 -1.26 -4.82 105.19 109.17 3bzc n GLY 392 Ca 0.27 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3bzc n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bzc s THR 393 N 1.80 2.80 -0.52 2.61 2.01 -1.26 -1.66 115.64 121.42 3bzc s THR 393 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3bzc s THR 393 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.29 3bzc s THR 393 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 3bzc n ALA 394 N 5.36 -0.11 -0.18 7.40 0.00 -1.26 -3.10 120.51 128.62 3bzc n ALA 394 Ca 0.16 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 3bzc n ALA 394 Cb 0.39 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 18.94 3bzc n ALA 394 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bzc h SER 395 N 0.00 0.95 -0.17 0.00 4.64 -1.58 0.75 113.55 118.14 3bzc h SER 395 Ca -0.12 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 3bzc h SER 395 Cb 0.64 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3bzc h SER 395 CO 0.16 1.07 0.06 0.03 -0.87 0.00 0.00 176.83 177.28 3bzc h ARG 396 N 0.82 0.15 -0.09 4.77 3.08 -1.92 0.43 114.38 121.61 3bzc h ARG 396 Ca 0.14 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3bzc h ARG 396 Cb 0.62 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 3bzc h ARG 396 CO 0.04 0.10 -0.31 0.93 -1.07 0.00 0.00 179.97 179.66 3bzc h GLU 397 N 0.15 -0.39 -0.26 0.04 4.39 -1.91 -2.84 114.58 113.76 3bzc h GLU 397 Ca 0.07 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3bzc h GLU 397 Cb 0.04 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3bzc h GLU 397 CO -0.07 -0.26 0.17 1.15 -1.16 0.00 0.00 179.01 178.84 3bzc h THR 398 N -0.40 1.08 -0.87 1.13 2.02 -0.34 -2.75 112.91 112.76 3bzc h THR 398 Ca 0.09 -0.15 0.18 0.00 0.77 0.00 0.00 66.41 67.29 3bzc h THR 398 Cb 0.53 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3bzc h THR 398 CO -0.32 0.07 0.57 -0.78 0.37 0.00 0.00 175.52 175.43 3bzc h ASP 399 N 0.35 0.47 0.09 4.18 3.58 0.03 0.60 116.42 125.71 3bzc h ASP 399 Ca 0.10 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3bzc h ASP 399 Cb -0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.97 3bzc h ASP 399 CO -0.02 0.21 -0.04 0.11 -2.88 0.00 0.00 179.24 176.62 3bzc h LYS 400 N 0.49 -0.11 -0.34 0.28 1.57 -1.26 -1.66 116.57 115.54 3bzc h LYS 400 Ca 0.45 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.31 3bzc h LYS 400 Cb 0.99 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 3bzc h LYS 400 CO -0.18 -0.08 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.21 3bzc h LEU 401 N -0.12 -1.13 0.21 2.94 3.38 -0.90 -1.44 115.31 118.26 3bzc h LEU 401 Ca -0.01 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3bzc h LEU 401 Cb 0.09 0.51 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3bzc h LEU 401 CO 0.02 -0.34 -0.37 0.00 0.09 0.00 0.00 178.44 177.83 3bzc h ALA 402 N 0.61 -0.71 -0.89 1.53 0.00 -1.17 0.24 119.26 118.86 3bzc h ALA 402 Ca 0.15 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3bzc h ALA 402 Cb 0.55 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 3bzc h ALA 402 CO -0.50 -0.95 0.58 0.78 0.00 0.00 0.00 179.25 179.15 3bzc h GLY 403 N -0.66 1.17 1.23 0.00 0.00 -1.14 -1.02 103.07 102.64 3bzc h GLY 403 Ca 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 47.33 46.80 3bzc h GLY 403 CO -0.16 0.07 -0.95 0.83 0.00 0.00 0.00 176.54 176.32 3bzc h GLU 404 N 0.65 0.72 -0.94 4.80 5.08 -0.40 -2.58 114.58 121.90 3bzc h GLU 404 Ca 0.45 -0.70 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3bzc h GLU 404 Cb 0.79 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 3bzc h GLU 404 CO -0.21 1.29 0.60 1.25 -1.00 0.00 0.00 179.01 180.95 3bzc h LEU 405 N 0.43 0.97 -0.75 1.33 5.85 0.26 -0.75 115.31 122.66 3bzc h LEU 405 Ca -0.10 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3bzc h LEU 405 Cb 1.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3bzc h LEU 405 CO 0.19 0.63 -0.27 0.40 -0.34 0.00 0.00 178.44 179.05 3bzc h ILE 406 N 1.12 1.28 0.00 4.05 2.04 -1.16 -1.68 117.51 123.16 3bzc h ILE 406 Ca 0.40 -1.37 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 3bzc h ILE 406 Cb 0.13 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3bzc h ILE 406 CO -0.16 0.45 -0.51 0.50 0.00 0.00 0.00 178.15 178.43 3bzc h LYS 407 N 0.56 0.00 0.00 2.37 1.63 -1.02 -3.01 116.57 117.10 3bzc h LYS 407 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3bzc h LYS 407 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 3bzc h LYS 407 CO 0.06 0.51 -1.02 1.63 -3.45 0.00 0.00 179.45 177.17 3bzc n LYS 408 N -3.33 0.61 -3.09 1.90 5.02 -0.33 -4.29 118.16 114.64 3bzc n LYS 408 Ca 0.01 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 3bzc n LYS 408 Cb 0.68 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3bzc n LYS 408 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3bzc n TYR 409 N -2.67 2.00 0.22 2.13 4.01 -0.64 -4.89 117.16 117.31 3bzc n TYR 409 Ca -0.00 -3.90 0.09 0.00 -0.16 0.00 0.00 57.90 53.93 3bzc n TYR 409 Cb 0.55 -0.45 0.46 0.00 -0.31 0.00 0.00 39.34 39.58 3bzc n TYR 409 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3bzc n PRO 410 N 0.13 0.12 0.07 -0.72 -0.04 -1.14 -1.55 135.00 131.87 3bzc n PRO 410 Ca 0.28 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.38 3bzc n PRO 410 Cb 0.53 -1.84 0.42 0.00 -0.04 0.00 0.00 33.50 32.57 3bzc n PRO 410 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bzc n GLY 411 N -0.93 -1.22 0.03 0.55 0.00 -1.26 -2.32 105.19 100.05 3bzc n GLY 411 Ca -0.00 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3bzc n GLY 411 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bzc n MET 412 N -1.90 0.38 -3.53 1.61 2.81 -0.59 -5.02 117.12 110.88 3bzc n MET 412 Ca 0.03 -0.03 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 3bzc n MET 412 Cb 0.23 -1.59 0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3bzc n MET 412 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3bzc n LYS 413 N -2.07 -1.39 -3.36 0.03 5.02 -0.98 -4.83 118.16 110.59 3bzc n LYS 413 Ca 0.01 0.74 -0.36 0.00 -2.02 0.00 0.00 58.31 56.68 3bzc n LYS 413 Cb 0.47 -4.36 -0.06 0.00 -0.02 0.00 0.00 35.03 31.06 3bzc n LYS 413 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bzc s LEU 414 N -5.67 4.38 -0.08 -0.35 1.43 -1.26 -4.83 118.68 112.30 3bzc s LEU 414 Ca 0.32 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.55 3bzc s LEU 414 Cb -0.10 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3bzc s LEU 414 CO 0.83 0.15 -0.19 -0.89 0.23 0.00 0.00 176.35 176.48 3bzc s THR 415 N -1.38 1.64 -0.15 5.49 2.01 -0.64 -4.94 115.64 117.67 3bzc s THR 415 Ca 0.35 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 3bzc s THR 415 Cb -0.16 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3bzc s THR 415 CO 0.19 0.47 0.12 -1.59 -0.69 0.00 0.00 174.62 173.11 3bzc s LYS 416 N 0.38 3.69 -0.02 4.92 -2.85 -1.26 -1.08 119.74 123.52 3bzc s LYS 416 Ca -0.14 -0.19 0.02 0.00 -1.00 0.00 0.00 55.97 54.65 3bzc s LYS 416 Cb -0.16 -3.24 0.01 0.00 -2.06 0.00 0.00 37.83 32.38 3bzc s LYS 416 CO 0.06 0.58 -0.06 0.42 0.10 0.00 0.00 175.35 176.46 3bzc s ILE 417 N -0.47 0.51 -0.02 3.79 1.09 -0.14 -4.87 121.20 121.09 3bzc s ILE 417 Ca 0.12 -0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.20 3bzc s ILE 417 Cb -0.12 -0.47 -0.04 0.00 -1.06 0.00 0.00 42.46 40.77 3bzc s ILE 417 CO 0.02 0.17 0.81 -0.04 -0.10 0.00 0.00 174.94 175.80 3bzc s MET 418 N 0.28 4.50 0.05 2.79 -1.94 -1.26 -1.65 119.30 122.06 3bzc s MET 418 Ca -0.03 1.11 0.09 0.00 -1.71 0.00 0.00 55.69 55.14 3bzc s MET 418 Cb -0.07 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.30 3bzc s MET 418 CO -0.00 0.07 -0.25 0.08 -0.01 0.00 0.00 175.02 174.91 3bzc s VAL 419 N 0.70 2.28 0.10 -6.03 1.01 0.18 -4.90 120.40 113.73 3bzc s VAL 419 Ca 0.43 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 3bzc s VAL 419 Cb -0.19 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3bzc s VAL 419 CO 0.23 0.35 1.70 -0.55 0.00 0.00 0.00 175.10 176.83 3bzc s SER 420 N -1.32 6.54 0.00 3.32 0.15 -1.26 -0.73 113.70 120.39 3bzc s SER 420 Ca 0.12 2.60 0.24 0.00 0.70 0.00 0.00 55.95 59.62 3bzc s SER 420 Cb -0.10 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 61.95 3bzc s SER 420 CO 0.03 -0.92 1.30 1.21 1.20 0.00 0.00 173.24 176.05 3bzc n GLU 421 N 5.42 1.39 -0.05 5.44 0.00 -1.26 -4.41 120.64 127.16 3bzc n GLU 421 Ca 0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 57.16 56.16 3bzc n GLU 421 Cb 0.39 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 30.31 3bzc n GLU 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3bzc h ALA 422 N 4.05 0.25 -0.24 4.31 0.00 -1.94 -2.90 119.26 122.80 3bzc h ALA 422 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3bzc h ALA 422 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3bzc h ALA 422 CO 0.00 -0.20 -0.16 0.78 0.00 0.00 0.00 179.25 179.67 3bzc h GLY 423 N 0.20 0.43 1.92 0.00 0.00 -1.81 -3.14 103.07 100.67 3bzc h GLY 423 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3bzc h GLY 423 CO -0.01 0.28 -0.44 0.00 0.00 0.00 0.00 176.54 176.37 3bzc h ALA 424 N 1.47 1.20 -0.46 3.60 0.00 -1.77 -2.16 119.26 121.13 3bzc h ALA 424 Ca 0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3bzc h ALA 424 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3bzc h ALA 424 CO 0.03 0.58 -0.00 0.66 0.00 0.00 0.00 179.25 180.51 3bzc h SER 425 N 0.07 0.79 -0.52 0.00 4.64 -1.48 -0.99 113.55 116.06 3bzc h SER 425 Ca 0.00 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3bzc h SER 425 Cb 0.81 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3bzc h SER 425 CO 0.06 0.91 0.27 0.58 -0.87 0.00 0.00 176.83 177.77 3bzc h VAL 426 N 0.65 1.19 0.26 0.95 2.07 -1.59 -3.10 116.25 116.68 3bzc h VAL 426 Ca 0.13 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3bzc h VAL 426 Cb 0.50 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3bzc h VAL 426 CO 0.02 0.20 -0.12 0.22 0.02 0.00 0.00 177.57 177.91 3bzc h TYR 427 N 0.69 -0.32 -0.28 1.57 3.20 -1.17 -2.82 116.97 117.85 3bzc h TYR 427 Ca 0.18 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.12 3bzc h TYR 427 Cb 0.08 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3bzc h TYR 427 CO -0.01 -0.18 0.26 0.66 -1.64 0.00 0.00 178.16 177.25 3bzc h SER 428 N -0.37 0.00 0.30 -2.11 4.64 -1.18 0.22 113.55 115.06 3bzc h SER 428 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3bzc h SER 428 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3bzc h SER 428 CO 0.06 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.52 3bzc n ALA 429 N -2.41 3.59 -1.55 5.18 0.00 -1.11 -4.83 120.51 119.38 3bzc n ALA 429 Ca 0.04 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 3bzc n ALA 429 Cb 0.41 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.87 3bzc n ALA 429 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bzc s SER 430 N -2.80 5.30 0.18 0.00 1.04 0.07 -4.96 113.70 112.52 3bzc s SER 430 Ca 0.15 1.62 -0.10 0.00 0.48 0.00 0.00 55.95 58.11 3bzc s SER 430 Cb 0.18 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.87 3bzc s SER 430 CO 0.66 -1.49 1.64 -0.33 0.98 0.00 0.00 173.24 174.70 3bzc h GLU 431 N -0.75 1.04 -0.63 4.02 5.08 -1.93 -3.11 114.58 118.29 3bzc h GLU 431 Ca -0.44 -0.32 0.09 0.00 -1.00 0.00 0.00 59.36 57.69 3bzc h GLU 431 Cb 1.21 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 3bzc h GLU 431 CO 0.56 1.01 0.27 1.25 -1.00 0.00 0.00 179.01 181.10 3bzc h LEU 432 N 0.93 0.31 -1.32 1.33 7.12 -1.93 -0.17 115.31 121.59 3bzc h LEU 432 Ca 0.17 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.27 3bzc h LEU 432 Cb 0.53 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 3bzc h LEU 432 CO 0.03 0.18 0.47 0.00 -0.13 0.00 0.00 178.44 178.99 3bzc h ALA 433 N 1.41 1.54 -0.20 1.25 0.00 -1.73 -1.87 119.26 119.67 3bzc h ALA 433 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3bzc h ALA 433 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3bzc h ALA 433 CO -0.28 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.47 3bzc h ALA 434 N 1.57 0.25 -0.28 0.00 0.00 -0.99 0.23 119.26 120.03 3bzc h ALA 434 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3bzc h ALA 434 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3bzc h ALA 434 CO -0.07 -0.21 0.19 0.87 0.00 0.00 0.00 179.25 180.03 3bzc h LYS 435 N 0.21 0.26 0.18 0.00 1.57 -0.90 -2.52 116.57 115.38 3bzc h LYS 435 Ca 0.07 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.52 3bzc h LYS 435 Cb 0.08 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.34 3bzc h LYS 435 CO -0.01 0.17 -1.50 0.93 -0.57 0.00 0.00 179.45 178.47 3bzc h GLU 436 N 0.27 0.39 -2.06 3.15 5.08 -0.77 -3.41 114.58 117.23 3bzc h GLU 436 Ca 0.12 -0.67 -0.55 0.00 -1.00 0.00 0.00 59.36 57.26 3bzc h GLU 436 Cb 0.13 0.25 -0.40 0.00 0.50 0.00 0.00 28.75 29.23 3bzc h GLU 436 CO -0.02 1.32 -1.01 1.19 -1.00 0.00 0.00 179.01 179.49 3bzc n PHE 437 N -3.76 0.88 0.18 4.33 3.01 0.74 -4.92 117.46 117.91 3bzc n PHE 437 Ca -0.22 -3.77 0.04 0.00 1.01 0.00 0.00 57.45 54.51 3bzc n PHE 437 Cb 1.02 -0.42 0.35 0.00 -0.01 0.00 0.00 39.48 40.42 3bzc n PHE 437 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3bzc h PRO 438 N 3.64 0.00 -0.23 -1.08 0.11 -1.67 -2.43 132.00 130.35 3bzc h PRO 438 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3bzc h PRO 438 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3bzc h PRO 438 CO 0.57 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 177.91 3bzc n GLU 439 N -3.83 1.52 -4.81 1.05 0.00 -1.26 -4.79 120.64 108.52 3bzc n GLU 439 Ca -0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 57.16 56.05 3bzc n GLU 439 Cb 0.46 -1.18 -0.14 0.00 0.00 0.00 0.00 31.44 30.59 3bzc n GLU 439 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3bzc s LEU 440 N -1.00 2.42 0.70 -1.84 1.43 -0.92 -5.13 118.68 114.35 3bzc s LEU 440 Ca 0.15 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3bzc s LEU 440 Cb 0.08 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3bzc s LEU 440 CO 0.10 0.27 1.07 1.51 0.23 0.00 0.00 176.35 179.52 3bzc s ASP 441 N -1.26 5.37 0.25 2.29 1.47 -1.26 -4.95 116.67 118.58 3bzc s ASP 441 Ca 0.13 1.45 -0.03 0.00 1.18 0.00 0.00 52.55 55.28 3bzc s ASP 441 Cb -0.10 -2.32 0.44 0.00 -0.34 0.00 0.00 42.92 40.60 3bzc s ASP 441 CO 0.03 -1.42 1.81 0.58 0.68 0.00 0.00 175.17 176.85 3bzc h VAL 442 N -0.71 0.88 0.00 2.11 2.07 -1.94 -2.57 116.25 116.10 3bzc h VAL 442 Ca -0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3bzc h VAL 442 Cb 1.22 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3bzc h VAL 442 CO 0.59 0.15 0.00 0.77 0.02 0.00 0.00 177.57 179.10 3bzc h SER 443 N 0.80 0.00 0.91 0.57 4.64 -1.92 -1.51 113.55 117.04 3bzc h SER 443 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3bzc h SER 443 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3bzc h SER 443 CO -0.27 0.00 -0.67 -0.07 -0.87 0.00 0.00 176.83 174.96 3bzc h LEU 444 N 0.00 0.00 -0.56 5.97 3.38 -1.84 -3.37 115.31 118.89 3bzc h LEU 444 Ca 0.00 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3bzc h LEU 444 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3bzc h LEU 444 CO 0.00 0.09 -0.51 0.03 0.09 0.00 0.00 178.44 178.14 3bzc h ARG 445 N 0.00 0.00 -0.26 1.13 3.08 -1.34 -2.94 114.38 114.04 3bzc h ARG 445 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3bzc h ARG 445 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3bzc h ARG 445 CO 0.00 0.51 -0.39 0.78 -1.07 0.00 0.00 179.97 179.80 3bzc h GLY 446 N 2.53 0.67 1.27 0.04 0.00 -1.72 -2.63 103.07 103.23 3bzc h GLY 446 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3bzc h GLY 446 CO 0.07 0.60 0.12 0.00 0.00 0.00 0.00 176.54 177.32 3bzc h ALA 447 N 1.07 1.12 -0.42 3.60 0.00 -1.73 0.15 119.26 123.05 3bzc h ALA 447 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3bzc h ALA 447 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bzc h ALA 447 CO 0.08 0.59 -0.23 0.28 0.00 0.00 0.00 179.25 179.97 3bzc h VAL 448 N 0.87 1.27 -0.50 0.00 2.07 -1.47 -2.52 116.25 115.97 3bzc h VAL 448 Ca 0.18 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 3bzc h VAL 448 Cb 0.34 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3bzc h VAL 448 CO 0.00 0.46 0.18 -1.28 0.02 0.00 0.00 177.57 176.95 3bzc h SER 449 N 0.73 0.71 0.18 0.57 0.87 -1.07 -2.13 113.55 113.41 3bzc h SER 449 Ca 0.10 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3bzc h SER 449 Cb 0.76 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3bzc h SER 449 CO 0.06 0.70 -0.17 0.40 -0.53 0.00 0.00 176.83 177.29 3bzc h ILE 450 N 0.67 0.61 -0.90 2.23 2.04 -0.79 0.12 117.51 121.49 3bzc h ILE 450 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 3bzc h ILE 450 Cb 0.23 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3bzc h ILE 450 CO -0.01 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.74 3bzc h ALA 451 N 0.40 1.37 -0.29 1.87 0.00 -1.42 -2.23 119.26 118.96 3bzc h ALA 451 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3bzc h ALA 451 Cb 0.36 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bzc h ALA 451 CO -0.04 0.58 -0.52 0.00 0.00 0.00 0.00 179.25 179.27 3bzc h ARG 452 N 1.21 0.83 -0.87 0.00 3.08 -1.08 -2.73 114.38 114.82 3bzc h ARG 452 Ca 0.33 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.93 3bzc h ARG 452 Cb -0.12 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 3bzc h ARG 452 CO -0.08 1.15 0.54 -0.09 -1.07 0.00 0.00 179.97 180.42 3bzc h ARG 453 N 0.65 0.97 -0.02 0.04 2.43 -0.28 -0.62 114.38 117.54 3bzc h ARG 453 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3bzc h ARG 453 Cb 1.12 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3bzc h ARG 453 CO 0.11 0.64 0.01 1.25 -1.51 0.00 0.00 179.97 180.48 3bzc h LEU 454 N 0.99 0.02 0.08 3.80 5.85 -1.24 -0.88 115.31 123.94 3bzc h LEU 454 Ca 0.38 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.10 3bzc h LEU 454 Cb 0.16 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3bzc h LEU 454 CO -0.17 0.03 -0.36 1.56 -0.34 0.00 0.00 178.44 179.17 3bzc h GLN 455 N 0.01 -0.55 -1.87 1.25 4.20 -1.08 -1.67 115.11 115.40 3bzc h GLN 455 Ca 0.01 0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.48 3bzc h GLN 455 Cb 0.01 0.12 -0.30 0.00 0.30 0.00 0.00 27.48 27.62 3bzc h GLN 455 CO -0.00 -0.36 -0.60 0.34 -0.67 0.00 0.00 178.83 177.54 3bzc s ASP 456 N -4.77 0.90 0.18 1.46 -1.08 -0.30 -1.39 116.67 111.66 3bzc s ASP 456 Ca -0.16 -0.80 -0.13 0.00 -0.52 0.00 0.00 52.55 50.93 3bzc s ASP 456 Cb 0.08 0.83 0.14 0.00 -1.46 0.00 0.00 42.92 42.51 3bzc s ASP 456 CO 0.64 -0.34 1.75 -0.65 0.52 0.00 0.00 175.17 177.10 3bzc h PRO 457 N 7.89 0.35 0.09 4.34 0.11 -1.36 -2.43 132.00 140.98 3bzc h PRO 457 Ca -0.06 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3bzc h PRO 457 Cb 1.09 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 3bzc h PRO 457 CO 0.26 0.23 -0.47 1.25 -0.21 0.00 0.00 178.00 179.06 3bzc h LEU 458 N 0.36 -1.42 -1.44 2.35 5.85 -1.83 0.41 115.31 119.59 3bzc h LEU 458 Ca 0.22 0.16 0.18 0.00 0.84 0.00 0.00 57.88 59.28 3bzc h LEU 458 Cb 0.21 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3bzc h LEU 458 CO -0.22 -0.52 0.58 0.00 -0.34 0.00 0.00 178.44 177.94 3bzc h ALA 459 N -0.30 2.07 0.14 1.25 0.00 -1.79 -2.26 119.26 118.37 3bzc h ALA 459 Ca 0.02 0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 3bzc h ALA 459 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bzc h ALA 459 CO -0.29 -0.33 -1.84 1.49 0.00 0.00 0.00 179.25 178.28 3bzc h GLU 460 N 0.50 0.29 -0.07 0.00 4.57 -1.08 -3.37 114.58 115.41 3bzc h GLU 460 Ca 0.45 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3bzc h GLU 460 Cb 0.99 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3bzc h GLU 460 CO -0.18 1.19 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.57 3bzc h LEU 461 N 0.08 0.10 -1.81 1.64 3.38 -0.58 -2.32 115.31 115.81 3bzc h LEU 461 Ca -0.36 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3bzc h LEU 461 Cb 2.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3bzc h LEU 461 CO 0.13 0.31 0.00 1.62 0.09 0.00 0.00 178.44 180.59 3bzc h VAL 462 N 0.10 0.00 0.00 1.22 3.04 -1.58 -2.73 116.25 116.31 3bzc h VAL 462 Ca 0.02 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3bzc h VAL 462 Cb 0.40 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3bzc h VAL 462 CO 0.03 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.70 3bzc h LYS 463 N 0.00 0.00 -6.01 4.17 1.57 -1.62 -3.45 116.57 111.23 3bzc h LYS 463 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3bzc h LYS 463 Cb 0.14 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.31 3bzc h LYS 463 CO 0.00 0.00 -0.73 0.96 -0.57 0.00 0.00 179.45 179.11 3bzc s ILE 464 N -3.26 2.27 -0.06 1.86 -4.36 -1.03 -5.01 121.20 111.61 3bzc s ILE 464 Ca 0.06 -2.31 -0.38 0.00 -0.26 0.00 0.00 60.65 57.77 3bzc s ILE 464 Cb 0.10 -2.39 -0.16 0.00 1.25 0.00 0.00 42.46 41.27 3bzc s ILE 464 CO 0.48 -0.35 1.56 -0.62 0.24 0.00 0.00 174.94 176.24 3bzc n GLU 465 N -0.64 1.32 -0.26 0.37 1.02 -1.26 -4.86 120.64 116.32 3bzc n GLU 465 Ca -0.05 0.48 0.16 0.00 -0.02 0.00 0.00 57.16 57.72 3bzc n GLU 465 Cb 0.61 -2.17 0.44 0.00 -0.02 0.00 0.00 31.44 30.31 3bzc n GLU 465 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3bzc h PRO 466 N 6.10 0.54 -0.34 3.49 0.11 -1.94 -0.36 132.00 139.60 3bzc h PRO 466 Ca -0.47 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3bzc h PRO 466 Cb 1.32 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3bzc h PRO 466 CO 0.87 0.35 0.17 0.87 -0.21 0.00 0.00 178.00 180.06 3bzc h LYS 467 N 0.55 0.34 0.00 1.05 1.57 -1.96 -2.65 116.57 115.48 3bzc h LYS 467 Ca 0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3bzc h LYS 467 Cb 0.97 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3bzc h LYS 467 CO -0.21 0.23 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 3bzc n SER 468 N -4.94 0.17 0.22 0.86 7.64 -0.16 -0.94 113.62 116.47 3bzc n SER 468 Ca 0.00 0.54 0.15 0.00 1.01 0.00 0.00 58.87 60.58 3bzc n SER 468 Cb 0.08 -0.58 0.75 0.00 -1.01 0.00 0.00 64.21 63.45 3bzc n SER 468 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3bzc h ILE 469 N 0.00 0.00 -3.16 0.44 2.04 -1.25 -3.42 117.51 112.16 3bzc h ILE 469 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3bzc h ILE 469 Cb 0.27 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3bzc h ILE 469 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 178.15 178.73 3bzc n GLY 470 N -0.82 -0.73 0.11 5.37 0.00 -0.12 -4.60 105.19 104.40 3bzc n GLY 470 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3bzc n GLY 470 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3bzc h VAL 471 N 0.13 0.29 -2.71 1.61 -1.51 -1.83 -3.48 116.25 108.76 3bzc h VAL 471 Ca 0.00 -1.56 0.10 0.00 -1.23 0.00 0.00 66.70 64.01 3bzc h VAL 471 Cb 0.08 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 3bzc h VAL 471 CO 0.01 0.16 0.47 -0.83 -1.23 0.00 0.00 177.57 176.16 3bzc s GLY 472 N -4.59 0.21 -0.02 5.19 0.00 -1.26 -4.51 107.32 102.34 3bzc s GLY 472 Ca -0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 3bzc s GLY 472 CO 0.80 1.45 1.26 1.46 0.00 0.00 0.00 173.10 178.07 3bzc h GLN 473 N 2.00 -0.01 -2.04 2.90 4.20 -1.99 -3.38 115.11 116.79 3bzc h GLN 473 Ca -0.29 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.85 3bzc h GLN 473 Cb 1.23 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.61 3bzc h GLN 473 CO 0.38 0.48 -1.01 0.66 -0.67 0.00 0.00 178.83 178.67 3bzc n TYR 474 N -4.86 0.49 0.74 2.96 4.02 -1.26 -4.93 117.16 114.32 3bzc n TYR 474 Ca -0.08 -3.70 0.13 0.00 -0.01 0.00 0.00 57.90 54.24 3bzc n TYR 474 Cb 0.25 -0.40 0.41 0.00 -0.02 0.00 0.00 39.34 39.59 3bzc n TYR 474 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3bzc n GLN 475 N 1.21 0.18 0.00 -0.72 10.64 -1.26 -2.78 117.38 124.66 3bzc n GLN 475 Ca 0.23 0.13 0.08 0.00 -1.83 0.00 0.00 57.00 55.61 3bzc n GLN 475 Cb 0.51 -1.69 0.34 0.00 -0.86 0.00 0.00 30.24 28.55 3bzc n GLN 475 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 3bzc n HIS 476 N -2.00 0.01 -0.42 2.61 1.44 -1.26 -3.07 115.22 112.52 3bzc n HIS 476 Ca 0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.88 3bzc n HIS 476 Cb 0.40 -0.51 0.32 0.00 0.12 0.00 0.00 29.99 30.33 3bzc n HIS 476 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3bzc n ASP 477 N -1.51 4.07 -4.64 4.39 8.00 -1.12 -4.91 116.55 120.84 3bzc n ASP 477 Ca 0.04 -2.12 -0.26 0.00 0.71 0.00 0.00 54.79 53.16 3bzc n ASP 477 Cb 0.19 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 3bzc n ASP 477 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3bzc s VAL 478 N -1.22 2.30 -0.10 2.53 -7.23 -1.18 -5.00 120.40 110.51 3bzc s VAL 478 Ca 0.47 -1.95 -0.36 0.00 -1.81 0.00 0.00 61.98 58.34 3bzc s VAL 478 Cb 0.26 -2.89 -0.13 0.00 0.56 0.00 0.00 36.38 34.18 3bzc s VAL 478 CO 0.30 -0.09 1.78 -0.24 -0.31 0.00 0.00 175.10 176.54 3bzc n SER 479 N -1.00 3.04 0.05 4.85 2.88 -1.26 -4.86 113.62 117.31 3bzc n SER 479 Ca -0.04 1.02 -0.08 0.00 -1.33 0.00 0.00 58.87 58.45 3bzc n SER 479 Cb 0.64 -1.31 0.08 0.00 -0.75 0.00 0.00 64.21 62.88 3bzc n SER 479 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3bzc h GLN 480 N 8.08 0.38 -0.07 -1.46 1.08 -1.93 -2.13 115.11 119.06 3bzc h GLN 480 Ca -0.48 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 3bzc h GLN 480 Cb 1.29 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3bzc h GLN 480 CO 0.94 0.87 0.04 -0.07 -0.95 0.00 0.00 178.83 179.66 3bzc h LEU 481 N 0.28 0.08 -1.00 1.46 -0.00 -2.00 0.68 115.31 114.81 3bzc h LEU 481 Ca -0.01 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 3bzc h LEU 481 Cb 1.14 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 3bzc h LEU 481 CO 0.10 0.06 -0.16 0.11 -0.00 0.00 0.00 178.44 178.55 3bzc h LYS 482 N 0.09 0.53 -0.16 1.13 1.57 -1.95 -1.74 116.57 116.04 3bzc h LYS 482 Ca 0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3bzc h LYS 482 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3bzc h LYS 482 CO -0.01 0.68 0.04 1.25 -0.57 0.00 0.00 179.45 180.84 3bzc h LEU 483 N 0.49 0.24 -0.31 2.94 5.85 -1.02 -1.51 115.31 121.99 3bzc h LEU 483 Ca 0.08 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3bzc h LEU 483 Cb 0.56 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3bzc h LEU 483 CO 0.04 0.41 0.18 0.00 -0.34 0.00 0.00 178.44 178.73 3bzc h ALA 484 N 0.84 0.38 -0.59 1.25 0.00 -0.69 -0.53 119.26 119.92 3bzc h ALA 484 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3bzc h ALA 484 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3bzc h ALA 484 CO 0.00 -0.19 0.37 -0.09 0.00 0.00 0.00 179.25 179.35 3bzc h ARG 485 N 0.37 0.72 -0.19 0.00 2.43 -1.24 -1.17 114.38 115.30 3bzc h ARG 485 Ca 0.12 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3bzc h ARG 485 Cb -0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3bzc h ARG 485 CO -0.05 0.48 0.02 1.03 -1.51 0.00 0.00 179.97 179.93 3bzc h SER 486 N 0.74 0.31 -0.65 -3.80 0.87 -0.79 -2.91 113.55 107.32 3bzc h SER 486 Ca 0.23 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 3bzc h SER 486 Cb -0.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3bzc h SER 486 CO -0.08 0.52 0.12 -0.07 -0.53 0.00 0.00 176.83 176.79 3bzc h LEU 487 N 0.09 1.03 -1.20 2.23 3.38 -0.92 -2.10 115.31 117.82 3bzc h LEU 487 Ca 0.05 -0.25 0.16 0.00 0.09 0.00 0.00 57.88 57.93 3bzc h LEU 487 Cb 0.35 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3bzc h LEU 487 CO 0.01 1.02 0.60 0.44 0.09 0.00 0.00 178.44 180.60 3bzc h ASP 488 N 0.99 0.70 -0.34 -0.43 3.32 -1.19 -1.34 116.42 118.14 3bzc h ASP 488 Ca 0.20 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 3bzc h ASP 488 Cb 0.42 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3bzc h ASP 488 CO 0.01 0.32 -0.42 0.00 -1.72 0.00 0.00 179.24 177.43 3bzc h ALA 489 N 1.60 0.52 -0.18 3.45 0.00 -1.19 -1.26 119.26 122.19 3bzc h ALA 489 Ca 0.50 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bzc h ALA 489 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3bzc h ALA 489 CO -0.26 0.65 0.11 0.28 0.00 0.00 0.00 179.25 180.02 3bzc h VAL 490 N 0.70 1.09 -0.87 0.00 2.07 -1.01 -0.71 116.25 117.52 3bzc h VAL 490 Ca 0.04 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3bzc h VAL 490 Cb 1.02 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3bzc h VAL 490 CO 0.10 0.08 0.57 0.58 0.02 0.00 0.00 177.57 178.92 3bzc h VAL 491 N 0.21 1.16 -0.62 2.57 2.07 -1.18 -0.71 116.25 119.75 3bzc h VAL 491 Ca 0.07 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3bzc h VAL 491 Cb 0.04 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 3bzc h VAL 491 CO -0.01 0.20 0.18 -0.08 0.02 0.00 0.00 177.57 177.88 3bzc h GLU 492 N 1.11 0.97 -0.50 1.57 4.81 -0.89 -1.29 114.58 120.36 3bzc h GLU 492 Ca 0.34 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3bzc h GLU 492 Cb -0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3bzc h GLU 492 CO -0.11 0.86 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.58 3bzc h ASP 493 N 0.89 0.89 -0.01 1.04 3.32 -0.44 -2.05 116.42 120.06 3bzc h ASP 493 Ca 0.20 -0.31 -0.26 0.00 0.02 0.00 0.00 57.03 56.68 3bzc h ASP 493 Cb 0.31 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.63 3bzc h ASP 493 CO -0.00 0.99 -0.98 0.00 -1.72 0.00 0.00 179.24 177.53 3bzc h VAL 495 N 0.42 1.24 0.00 0.00 2.07 -1.24 -2.18 116.25 116.56 3bzc h VAL 495 Ca -0.11 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3bzc h VAL 495 Cb 1.62 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3bzc h VAL 495 CO 0.19 0.30 -0.12 0.78 0.02 0.00 0.00 177.57 178.75 3bzc h ASN 496 N 0.61 0.00 -0.21 0.57 2.35 -1.40 0.22 115.58 117.73 3bzc h ASN 496 Ca 0.14 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 3bzc h ASN 496 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3bzc h ASN 496 CO 0.01 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 175.53 3bzc h ALA 497 N 2.14 0.31 0.00 -0.83 0.00 -1.11 -3.25 119.26 116.51 3bzc h ALA 497 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 3bzc h ALA 497 Cb 0.93 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3bzc h ALA 497 CO 0.00 0.29 -0.94 0.28 0.00 0.00 0.00 179.25 178.88 3bzc h VAL 498 N 0.21 1.67 -1.82 0.00 2.07 -1.23 -3.43 116.25 113.74 3bzc h VAL 498 Ca 0.03 -3.21 0.19 0.00 0.82 0.00 0.00 66.70 64.52 3bzc h VAL 498 Cb 0.82 2.74 -0.09 0.00 -1.52 0.00 0.00 31.29 33.24 3bzc h VAL 498 CO 0.06 0.92 -0.61 0.61 0.02 0.00 0.00 177.57 178.57 3bzc n GLY 499 N 1.17 -2.80 2.97 2.17 0.00 0.77 -4.91 105.19 104.56 3bzc n GLY 499 Ca -0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 3bzc n GLY 499 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bzc s VAL 500 N -3.36 0.68 -0.46 1.61 1.01 0.04 -4.95 120.40 114.97 3bzc s VAL 500 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3bzc s VAL 500 Cb 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.77 3bzc s VAL 500 CO 0.00 0.23 1.20 -0.62 0.00 0.00 0.00 175.10 175.91 3bzc s ASP 501 N 0.38 6.56 0.60 3.32 3.68 -1.26 0.86 116.67 130.80 3bzc s ASP 501 Ca -0.06 0.54 0.38 0.00 2.13 0.00 0.00 52.55 55.55 3bzc s ASP 501 Cb -0.10 -2.55 1.79 0.00 -1.45 0.00 0.00 42.92 40.61 3bzc s ASP 501 CO 0.00 -1.30 2.14 1.62 0.13 0.00 0.00 175.17 177.76 3bzc h VAL 502 N 6.29 0.02 0.00 1.11 3.04 -1.66 -0.85 116.25 124.20 3bzc h VAL 502 Ca -0.24 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3bzc h VAL 502 Cb 1.07 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3bzc h VAL 502 CO 1.12 0.01 -0.85 0.78 -1.01 0.00 0.00 177.57 177.62 3bzc h ASN 503 N 0.00 0.00 0.00 3.17 2.35 -1.91 -3.36 115.58 115.82 3bzc h ASN 503 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3bzc h ASN 503 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3bzc h ASN 503 CO 0.00 0.06 -0.84 0.35 -1.65 0.00 0.00 177.43 175.35 3bzc n THR 504 N -2.38 0.00 -2.08 2.81 -2.24 -1.02 -5.03 114.28 104.33 3bzc n THR 504 Ca 0.02 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3bzc n THR 504 Cb 0.49 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 3bzc n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bzc s ALA 505 N -2.06 3.58 0.83 6.98 0.00 -0.35 -5.02 121.76 125.72 3bzc s ALA 505 Ca -0.00 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3bzc s ALA 505 Cb 0.04 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.73 3bzc s ALA 505 CO 0.26 -0.67 1.09 -1.54 0.00 0.00 0.00 175.76 174.90 3bzc s SER 506 N 0.18 4.12 0.26 0.00 1.04 -1.26 -4.87 113.70 113.17 3bzc s SER 506 Ca 0.57 1.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.36 3bzc s SER 506 Cb -0.40 -2.12 0.33 0.00 0.10 0.00 0.00 66.02 63.94 3bzc s SER 506 CO 0.44 -2.22 1.87 0.00 0.98 0.00 0.00 173.24 174.31 3bzc h ALA 507 N -1.26 1.23 -0.87 5.32 0.00 -1.95 -1.96 119.26 119.77 3bzc h ALA 507 Ca -0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3bzc h ALA 507 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3bzc h ALA 507 CO 0.57 0.59 0.48 0.00 0.00 0.00 0.00 179.25 180.89 3bzc h ALA 508 N 1.34 1.12 -0.20 0.00 0.00 -1.93 -1.07 119.26 118.52 3bzc h ALA 508 Ca 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3bzc h ALA 508 Cb 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3bzc h ALA 508 CO -0.03 0.63 -0.18 1.25 0.00 0.00 0.00 179.25 180.91 3bzc h LEU 509 N 1.22 0.50 -1.55 0.00 5.85 -1.78 -3.13 115.31 116.42 3bzc h LEU 509 Ca 0.31 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3bzc h LEU 509 Cb 0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3bzc h LEU 509 CO -0.05 0.86 0.31 -0.07 -0.34 0.00 0.00 178.44 179.15 3bzc h LEU 510 N 0.14 0.52 -1.67 2.25 3.38 -1.09 -2.57 115.31 116.26 3bzc h LEU 510 Ca 0.03 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3bzc h LEU 510 Cb 0.72 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3bzc h LEU 510 CO 0.05 0.37 0.35 0.00 0.09 0.00 0.00 178.44 179.30 3bzc h ALA 511 N 1.71 1.99 -0.03 1.53 0.00 -1.14 -0.36 119.26 122.97 3bzc h ALA 511 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3bzc h ALA 511 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bzc h ALA 511 CO -0.04 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.65 3bzc n ARG 512 N -4.47 1.37 -2.52 0.00 5.12 -0.97 -3.93 116.66 111.26 3bzc n ARG 512 Ca 0.08 -0.54 -0.40 0.00 -1.93 0.00 0.00 57.85 55.06 3bzc n ARG 512 Cb 0.31 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 3bzc n ARG 512 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bzc s ILE 513 N -1.96 3.58 -0.14 0.55 -1.09 -0.14 -4.65 121.20 117.34 3bzc s ILE 513 Ca 0.39 1.56 -0.39 0.00 -2.23 0.00 0.00 60.65 59.98 3bzc s ILE 513 Cb 0.19 -3.98 -0.16 0.00 -1.58 0.00 0.00 42.46 36.94 3bzc s ILE 513 CO 0.32 0.35 1.62 -0.24 -1.23 0.00 0.00 174.94 175.76 3bzc n SER 514 N 1.12 2.24 0.00 3.58 2.88 -1.26 -0.47 113.62 121.71 3bzc n SER 514 Ca -0.01 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3bzc n SER 514 Cb 0.45 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 3bzc n SER 514 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bzc n GLY 515 N 3.67 2.76 3.96 0.46 0.00 -1.26 -2.91 105.19 111.87 3bzc n GLY 515 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3bzc n GLY 515 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bzc s LEU 516 N 0.00 3.38 0.00 0.99 1.43 0.38 -4.92 118.68 119.94 3bzc s LEU 516 Ca 0.00 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3bzc s LEU 516 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 3bzc s LEU 516 CO 0.00 -1.00 0.16 -0.46 0.23 0.00 0.00 176.35 175.28 3bzc n ASN 517 N -2.31 -0.45 -0.20 2.29 0.23 -1.25 -4.72 115.26 108.84 3bzc n ASN 517 Ca 0.05 -1.55 -0.04 0.00 -0.53 0.00 0.00 54.58 52.50 3bzc n ASN 517 Cb 0.59 0.82 0.06 0.00 -2.08 0.00 0.00 39.78 39.16 3bzc n ASN 517 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3bzc h SER 518 N 0.59 0.56 0.78 0.53 0.02 -1.93 0.31 113.55 114.41 3bzc h SER 518 Ca -0.08 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3bzc h SER 518 Cb 0.36 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.80 3bzc h SER 518 CO 0.11 0.38 -0.37 0.74 -1.14 0.00 0.00 176.83 176.55 3bzc h THR 519 N 0.68 0.14 -0.32 -2.27 2.02 -1.98 -1.54 112.91 109.63 3bzc h THR 519 Ca 0.24 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.34 3bzc h THR 519 Cb 0.05 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 3bzc h THR 519 CO -0.11 0.01 -0.12 -0.07 0.37 0.00 0.00 175.52 175.60 3bzc h LEU 520 N -1.17 -0.40 -0.78 2.58 3.38 -1.91 0.55 115.31 117.55 3bzc h LEU 520 Ca -0.11 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3bzc h LEU 520 Cb 0.82 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 3bzc h LEU 520 CO 0.18 -0.15 0.42 0.00 0.09 0.00 0.00 178.44 178.98 3bzc h ALA 521 N 1.24 1.11 -0.47 1.53 0.00 -0.94 -0.72 119.26 121.01 3bzc h ALA 521 Ca 0.16 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3bzc h ALA 521 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3bzc h ALA 521 CO -0.36 0.01 -0.15 0.37 0.00 0.00 0.00 179.25 179.11 3bzc h GLN 522 N 0.69 0.90 -0.14 0.00 5.75 -0.33 -2.33 115.11 119.65 3bzc h GLN 522 Ca 0.39 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3bzc h GLN 522 Cb 0.41 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3bzc h GLN 522 CO -0.27 0.99 -0.07 -0.91 -2.65 0.00 0.00 178.83 175.91 3bzc h ASN 523 N 0.79 0.19 -0.06 -0.69 4.21 0.45 -1.30 115.58 119.17 3bzc h ASN 523 Ca 0.12 -0.03 -0.21 0.00 1.21 0.00 0.00 56.30 57.39 3bzc h ASN 523 Cb 0.69 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.85 3bzc h ASN 523 CO 0.05 0.29 -0.79 0.40 -1.29 0.00 0.00 177.43 176.10 3bzc h ILE 524 N 0.20 1.32 -0.27 2.81 2.04 -0.89 -1.29 117.51 121.44 3bzc h ILE 524 Ca 0.04 -2.07 -0.13 0.00 1.00 0.00 0.00 64.86 63.71 3bzc h ILE 524 Cb 0.26 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3bzc h ILE 524 CO 0.01 0.63 -0.37 0.58 0.00 0.00 0.00 178.15 179.00 3bzc h VAL 525 N 0.28 1.29 -0.21 1.67 2.07 -1.24 -1.33 116.25 118.77 3bzc h VAL 525 Ca -0.08 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 3bzc h VAL 525 Cb 1.45 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3bzc h VAL 525 CO 0.16 0.48 -0.17 0.00 0.02 0.00 0.00 177.57 178.06 3bzc h ALA 526 N 1.09 0.30 -0.70 1.67 0.00 -1.24 -1.85 119.26 118.53 3bzc h ALA 526 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3bzc h ALA 526 Cb 0.87 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3bzc h ALA 526 CO 0.08 0.21 0.44 1.25 0.00 0.00 0.00 179.25 181.22 3bzc h HIS 527 N 0.17 0.83 -0.03 0.00 6.17 -1.14 0.64 115.15 121.78 3bzc h HIS 527 Ca 0.04 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.09 3bzc h HIS 527 Cb 0.70 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 3bzc h HIS 527 CO 0.07 0.48 -0.20 -0.09 0.71 0.00 0.00 177.93 178.90 3bzc h ARG 528 N 0.87 0.05 0.01 5.26 2.43 -1.19 0.19 114.38 122.00 3bzc h ARG 528 Ca 0.28 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.24 3bzc h ARG 528 Cb -0.00 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3bzc h ARG 528 CO -0.10 0.26 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.42 3bzc h ASP 529 N 0.05 0.65 0.22 -3.80 3.45 -0.38 -1.91 116.42 114.70 3bzc h ASP 529 Ca 0.01 -0.77 -0.18 0.00 0.43 0.00 0.00 57.03 56.53 3bzc h ASP 529 Cb 0.39 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3bzc h ASP 529 CO 0.03 1.34 -0.68 0.00 -1.57 0.00 0.00 179.24 178.35 3bzc h ALA 530 N 0.33 0.64 0.00 3.45 0.00 -0.51 -3.38 119.26 119.79 3bzc h ALA 530 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3bzc h ALA 530 Cb 1.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3bzc h ALA 530 CO 0.15 0.74 -0.22 0.09 0.00 0.00 0.00 179.25 180.01 3bzc n ASN 531 N -3.87 0.59 0.00 0.00 4.13 0.62 -5.09 115.26 111.65 3bzc n ASN 531 Ca -0.04 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.73 3bzc n ASN 531 Cb 0.68 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.93 3bzc n ASN 531 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bzc n GLY 532 N 1.20 -3.11 3.72 7.41 0.00 -0.72 -4.98 105.19 108.72 3bzc n GLY 532 Ca 0.00 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3bzc n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzc n ALA 533 N 0.19 1.55 -1.98 4.61 0.00 -1.26 -4.47 120.51 119.14 3bzc n ALA 533 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 3bzc n ALA 533 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 3bzc n ALA 533 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3bzc s PHE 534 N -1.22 3.17 -0.11 0.00 0.40 -1.26 -4.91 117.98 114.05 3bzc s PHE 534 Ca 0.63 1.12 0.21 0.00 -0.60 0.00 0.00 56.93 58.29 3bzc s PHE 534 Cb -0.47 -3.69 -0.21 0.00 0.51 0.00 0.00 43.02 39.16 3bzc s PHE 534 CO 0.56 -2.22 0.65 0.54 0.70 0.00 0.00 175.22 175.46 3bzc n ARG 535 N 2.69 0.64 -4.05 0.44 1.74 -1.26 -4.95 116.66 111.91 3bzc n ARG 535 Ca 0.07 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 3bzc n ARG 535 Cb 0.42 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 3bzc n ARG 535 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3bzc s THR 536 N -3.34 0.16 0.34 0.55 -4.23 -1.26 -2.60 115.64 105.25 3bzc s THR 536 Ca -0.05 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3bzc s THR 536 Cb 0.12 -1.65 0.28 0.00 1.34 0.00 0.00 72.50 72.58 3bzc s THR 536 CO 0.86 -0.74 1.96 0.03 -0.54 0.00 0.00 174.62 176.19 3bzc h ARG 537 N 2.95 0.86 0.00 3.99 3.08 -1.93 -1.91 114.38 121.43 3bzc h ARG 537 Ca -0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3bzc h ARG 537 Cb 1.17 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3bzc h ARG 537 CO 0.61 0.57 0.00 0.22 -1.07 0.00 0.00 179.97 180.30 3bzc h ASP 538 N 0.89 0.00 0.83 7.04 3.58 -2.00 0.34 116.42 127.09 3bzc h ASP 538 Ca 0.31 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 3bzc h ASP 538 Cb 0.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3bzc h ASP 538 CO -0.09 0.00 -0.13 -0.33 -2.88 0.00 0.00 179.24 175.80 3bzc h GLU 539 N 0.00 0.00 0.00 0.28 5.08 -1.76 -2.87 114.58 115.31 3bzc h GLU 539 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3bzc h GLU 539 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bzc h GLU 539 CO 0.00 0.13 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.99 3bzc h LEU 540 N 0.00 0.00 -1.03 1.33 3.38 -1.08 -2.06 115.31 115.85 3bzc h LEU 540 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bzc h LEU 540 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3bzc h LEU 540 CO 0.02 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.92 3bzc n LYS 541 N -3.96 0.13 0.04 1.13 5.02 -1.08 -0.99 118.16 118.45 3bzc n LYS 541 Ca -0.02 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.94 3bzc n LYS 541 Cb 0.18 -1.87 0.32 0.00 -0.02 0.00 0.00 35.03 33.64 3bzc n LYS 541 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bzc n LYS 542 N -2.14 0.14 -2.21 1.97 4.01 -0.78 -4.87 118.16 114.28 3bzc n LYS 542 Ca -0.00 0.06 -0.42 0.00 -0.51 0.00 0.00 58.31 57.44 3bzc n LYS 542 Cb 0.09 -1.61 -0.03 0.00 -0.51 0.00 0.00 35.03 32.96 3bzc n LYS 542 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3bzc s VAL 543 N -3.07 3.32 0.26 -0.18 1.01 -0.16 -4.92 120.40 116.66 3bzc s VAL 543 Ca 0.10 1.01 -0.31 0.00 0.00 0.00 0.00 61.98 62.78 3bzc s VAL 543 Cb 0.16 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 3bzc s VAL 543 CO 0.66 0.11 1.59 -1.54 0.00 0.00 0.00 175.10 175.92 3bzc n SER 544 N 3.34 3.69 0.00 3.32 3.41 -1.26 -1.65 113.62 124.46 3bzc n SER 544 Ca 0.09 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 3bzc n SER 544 Cb 0.43 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 3bzc n SER 544 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bzc n ARG 545 N 2.55 -0.40 -2.99 4.33 1.74 -1.26 -4.93 116.66 115.70 3bzc n ARG 545 Ca 0.11 0.10 -0.44 0.00 -0.77 0.00 0.00 57.85 56.85 3bzc n ARG 545 Cb 0.35 -3.67 -0.01 0.00 -1.02 0.00 0.00 32.46 28.11 3bzc n ARG 545 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3bzc s LEU 546 N 0.00 5.25 0.00 0.55 0.20 -0.66 -5.00 118.68 119.03 3bzc s LEU 546 Ca 0.00 -2.75 -0.11 0.00 0.69 0.00 0.00 54.13 51.96 3bzc s LEU 546 Cb 0.00 -2.37 0.16 0.00 -0.43 0.00 0.00 46.19 43.55 3bzc s LEU 546 CO 0.00 -0.79 0.78 0.61 -0.29 0.00 0.00 176.35 176.65 3bzc n GLY 547 N 4.39 -1.87 0.14 7.98 0.00 -1.26 -4.71 105.19 109.85 3bzc n GLY 547 Ca 0.31 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 3bzc n GLY 547 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bzc h GLU 548 N 0.00 0.35 -0.49 1.61 4.81 -1.97 0.27 114.58 119.17 3bzc h GLU 548 Ca -0.27 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3bzc h GLU 548 Cb 0.76 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3bzc h GLU 548 CO 0.18 0.23 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.40 3bzc h LYS 549 N 0.36 0.92 -0.35 1.92 3.64 -1.99 -0.88 116.57 120.20 3bzc h LYS 549 Ca 0.11 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3bzc h LYS 549 Cb -0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3bzc h LYS 549 CO -0.04 0.99 0.21 1.15 -2.27 0.00 0.00 179.45 179.49 3bzc h THR 550 N 0.78 1.12 -0.25 1.00 2.02 -1.87 -2.07 112.91 113.64 3bzc h THR 550 Ca 0.13 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.06 3bzc h THR 550 Cb 0.62 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3bzc h THR 550 CO 0.04 0.12 -0.00 0.15 0.37 0.00 0.00 175.52 176.20 3bzc h PHE 551 N 0.45 -0.02 -0.48 3.16 3.57 -0.72 -0.49 116.94 122.40 3bzc h PHE 551 Ca 0.12 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3bzc h PHE 551 Cb 0.02 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3bzc h PHE 551 CO -0.04 -0.04 0.02 1.49 -2.23 0.00 0.00 178.31 177.52 3bzc h GLU 552 N 0.07 0.13 -0.12 1.11 4.81 -0.95 0.15 114.58 119.79 3bzc h GLU 552 Ca 0.12 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 3bzc h GLU 552 Cb 0.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3bzc h GLU 552 CO -0.20 0.09 -0.42 1.96 -0.73 0.00 0.00 179.01 179.71 3bzc h GLN 553 N 0.14 0.27 0.04 1.92 1.08 -0.84 -3.36 115.11 114.37 3bzc h GLN 553 Ca 0.24 -0.13 -0.38 0.00 -1.45 0.00 0.00 58.65 56.93 3bzc h GLN 553 Cb 0.36 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 3bzc h GLN 553 CO -0.38 0.65 -2.28 0.00 -0.95 0.00 0.00 178.83 175.86 3bzc n ALA 554 N -2.48 1.25 -0.16 3.87 0.00 -0.24 -4.53 120.51 118.22 3bzc n ALA 554 Ca -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 53.44 52.47 3bzc n ALA 554 Cb 0.49 -0.33 0.04 0.00 0.00 0.00 0.00 19.45 19.65 3bzc n ALA 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzc h ALA 555 N 0.11 0.33 0.00 0.00 0.00 -0.87 0.25 119.26 119.08 3bzc h ALA 555 Ca -0.51 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bzc h ALA 555 Cb 1.97 0.38 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3bzc h ALA 555 CO -0.02 -0.44 0.16 0.78 0.00 0.00 0.00 179.25 179.74 3bzc h GLY 556 N -0.00 0.00 0.00 0.00 0.00 -1.81 -1.04 103.07 100.22 3bzc h GLY 556 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3bzc h GLY 556 CO -0.52 0.00 -1.62 0.69 0.00 0.00 0.00 176.54 175.08 3bzc n PHE 557 N -2.95 0.00 -3.36 5.60 3.01 0.84 -4.50 117.46 116.10 3bzc n PHE 557 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 3bzc n PHE 557 Cb 0.22 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 39.27 3bzc n PHE 557 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3bzc s LEU 558 N -3.96 4.55 -0.01 4.37 1.43 -0.39 -0.78 118.68 123.88 3bzc s LEU 558 Ca -0.03 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3bzc s LEU 558 Cb 0.13 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3bzc s LEU 558 CO 0.80 -0.43 0.27 -0.13 0.23 0.00 0.00 176.35 177.10 3bzc s ARG 559 N 2.10 3.61 -0.29 1.70 0.52 0.25 -4.89 118.95 121.94 3bzc s ARG 559 Ca 0.13 -0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.29 3bzc s ARG 559 Cb -0.17 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.22 3bzc s ARG 559 CO 0.12 0.67 0.03 0.08 0.02 0.00 0.00 175.30 176.22 3bzc s VAL 560 N -1.23 3.40 -0.11 3.52 1.01 0.73 -1.67 120.40 126.04 3bzc s VAL 560 Ca 0.25 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3bzc s VAL 560 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3bzc s VAL 560 CO 0.14 0.01 0.56 -0.04 0.00 0.00 0.00 175.10 175.77 3bzc s MET 561 N 1.37 4.35 -0.98 2.72 1.00 -1.26 -2.93 119.30 123.57 3bzc s MET 561 Ca -0.01 0.59 -0.02 0.00 0.00 0.00 0.00 55.69 56.25 3bzc s MET 561 Cb -0.18 -3.46 0.00 0.00 0.00 0.00 0.00 34.83 31.19 3bzc s MET 561 CO -0.00 0.08 0.83 0.09 0.00 0.00 0.00 175.02 176.02 3bzc n ASN 562 N 3.88 -3.22 -2.00 3.03 3.02 -1.26 -5.03 115.26 113.68 3bzc n ASN 562 Ca -0.05 -0.46 -0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3bzc n ASN 562 Cb 0.51 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 3bzc n ASN 562 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bzc n GLY 563 N -1.31 2.66 0.24 7.41 0.00 -1.26 -5.02 105.19 107.91 3bzc n GLY 563 Ca -0.15 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 43.87 3bzc n GLY 563 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bzc h ASP 564 N 0.00 0.00 -3.46 1.61 3.32 -1.90 -3.41 116.42 112.58 3bzc h ASP 564 Ca -0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3bzc h ASP 564 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.22 3bzc h ASP 564 CO 0.00 0.00 -0.78 0.21 -1.72 0.00 0.00 179.24 176.95 3bzc s ASN 565 N -5.51 4.04 0.50 6.45 3.84 -1.26 -4.99 114.94 118.01 3bzc s ASN 565 Ca 0.03 -0.90 0.34 0.00 0.21 0.00 0.00 52.86 52.54 3bzc s ASN 565 Cb 0.08 -1.60 1.76 0.00 -0.55 0.00 0.00 41.25 40.95 3bzc s ASN 565 CO 0.55 -0.10 2.03 -0.65 -2.79 0.00 0.00 177.10 176.13 3bzc h PRO 566 N 7.95 0.00 0.00 0.43 0.11 -1.95 -2.18 132.00 136.36 3bzc h PRO 566 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3bzc h PRO 566 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bzc h PRO 566 CO 0.57 0.00 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.06 3bzc h LEU 567 N 0.00 0.00 -0.12 2.35 3.38 -1.94 -3.26 115.31 115.72 3bzc h LEU 567 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3bzc h LEU 567 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bzc h LEU 567 CO 0.00 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.03 3bzc n ASP 568 N -2.36 0.20 -1.03 -0.43 8.00 -0.82 -1.92 116.55 118.20 3bzc n ASP 568 Ca 0.04 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.19 3bzc n ASP 568 Cb 0.45 -0.59 0.27 0.00 -0.02 0.00 0.00 41.12 41.23 3bzc n ASP 568 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bzc n ALA 569 N -1.58 2.43 -2.68 2.24 0.00 -1.15 -0.20 120.51 119.58 3bzc n ALA 569 Ca 0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 3bzc n ALA 569 Cb 0.25 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 3bzc n ALA 569 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bzc s SER 570 N -1.29 3.84 0.00 0.00 1.04 -0.81 -3.51 113.70 112.97 3bzc s SER 570 Ca 0.38 -1.56 0.10 0.00 0.48 0.00 0.00 55.95 55.35 3bzc s SER 570 Cb 0.21 0.21 0.42 0.00 0.10 0.00 0.00 66.02 66.96 3bzc s SER 570 CO 0.29 -0.73 1.30 0.00 0.98 0.00 0.00 173.24 175.08 3bzc n ALA 571 N -1.11 2.51 -2.09 5.32 0.00 -1.26 -4.75 120.51 119.12 3bzc n ALA 571 Ca -0.13 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3bzc n ALA 571 Cb 0.67 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 3bzc n ALA 571 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bzc s VAL 572 N -1.84 3.65 0.25 0.00 1.01 -1.26 -4.91 120.40 117.30 3bzc s VAL 572 Ca 0.17 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 3bzc s VAL 572 Cb 0.09 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 3bzc s VAL 572 CO 0.13 -0.06 1.20 -2.28 0.00 0.00 0.00 175.10 174.09 3bzc s HIS 573 N 3.56 3.37 0.47 5.22 5.65 -1.26 -4.79 115.29 127.52 3bzc s HIS 573 Ca 0.69 1.48 0.31 0.00 0.25 0.00 0.00 55.06 57.79 3bzc s HIS 573 Cb -0.32 -3.46 1.41 0.00 -1.18 0.00 0.00 32.58 29.03 3bzc s HIS 573 CO 0.27 -1.23 1.72 -1.35 -0.65 0.00 0.00 174.74 173.50 3bzc h PRO 574 N 4.42 0.13 0.00 2.88 0.11 -1.93 0.93 132.00 138.54 3bzc h PRO 574 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bzc h PRO 574 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bzc h PRO 574 CO 0.71 0.09 0.00 1.05 -0.21 0.00 0.00 178.00 179.64 3bzc h GLU 575 N 0.14 0.00 -0.34 1.05 4.11 -1.98 -1.37 114.58 116.19 3bzc h GLU 575 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.12 3bzc h GLU 575 Cb 2.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.57 3bzc h GLU 575 CO -0.21 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.12 3bzc n THR 576 N -2.93 1.55 -0.04 -1.06 -2.24 0.32 -4.66 114.28 105.21 3bzc n THR 576 Ca -0.02 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.31 3bzc n THR 576 Cb 0.11 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3bzc n THR 576 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3bzc h TYR 577 N 2.09 0.25 -0.96 4.78 -1.99 -1.26 -1.72 116.97 118.16 3bzc h TYR 577 Ca 0.00 0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.88 3bzc h TYR 577 Cb 1.05 -0.09 -0.09 0.00 2.00 0.00 0.00 36.73 39.61 3bzc h TYR 577 CO 0.37 0.16 0.58 -1.35 -0.00 0.00 0.00 178.16 177.91 3bzc h PRO 578 N 0.27 0.82 -0.02 4.88 0.11 -1.83 -0.34 132.00 135.89 3bzc h PRO 578 Ca 0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3bzc h PRO 578 Cb -0.03 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 3bzc h PRO 578 CO -0.02 0.54 -0.00 1.25 -0.21 0.00 0.00 178.00 179.56 3bzc h LEU 579 N 0.84 -0.02 -1.57 2.35 6.46 -1.75 -1.03 115.31 120.59 3bzc h LEU 579 Ca 0.51 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.35 3bzc h LEU 579 Cb 0.63 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 3bzc h LEU 579 CO -0.32 -0.01 0.40 0.58 -0.62 0.00 0.00 178.44 178.48 3bzc h VAL 580 N 0.00 0.96 -0.57 1.05 2.07 -0.51 -1.10 116.25 118.16 3bzc h VAL 580 Ca 0.01 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3bzc h VAL 580 Cb 0.02 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3bzc h VAL 580 CO -0.02 0.09 0.11 -0.61 0.02 0.00 0.00 177.57 177.16 3bzc h GLN 581 N 0.51 0.93 -0.09 1.57 4.15 -0.20 -0.58 115.11 121.39 3bzc h GLN 581 Ca 0.27 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3bzc h GLN 581 Cb 0.38 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3bzc h GLN 581 CO -0.08 0.88 -0.01 0.00 -1.93 0.00 0.00 178.83 177.69 3bzc h ARG 582 N 0.83 0.13 -0.05 1.69 3.08 0.03 -0.00 114.38 120.08 3bzc h ARG 582 Ca 0.17 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.98 3bzc h ARG 582 Cb 0.39 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.43 3bzc h ARG 582 CO 0.01 0.16 -0.86 0.82 -1.07 0.00 0.00 179.97 179.03 3bzc h ILE 583 N 0.13 1.31 0.21 2.04 2.04 -0.68 -1.00 117.51 121.56 3bzc h ILE 583 Ca 0.03 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 3bzc h ILE 583 Cb 0.12 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3bzc h ILE 583 CO 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 178.15 178.67 3bzc h ALA 584 N 0.43 -0.32 -0.12 1.87 0.00 -0.55 -1.61 119.26 118.97 3bzc h ALA 584 Ca -0.09 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3bzc h ALA 584 Cb 1.51 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 3bzc h ALA 584 CO 0.17 -0.69 -0.16 0.00 0.00 0.00 0.00 179.25 178.58 3bzc h ALA 585 N 0.45 -0.09 -0.49 0.00 0.00 -1.05 -1.03 119.26 117.05 3bzc h ALA 585 Ca -0.02 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3bzc h ALA 585 Cb 0.28 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3bzc h ALA 585 CO 0.02 -0.61 0.34 0.22 0.00 0.00 0.00 179.25 179.21 3bzc h ASP 586 N -0.20 0.20 -0.01 0.00 3.58 -1.05 -0.20 116.42 118.74 3bzc h ASP 586 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3bzc h ASP 586 Cb 0.33 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3bzc h ASP 586 CO -0.24 0.12 -0.03 0.35 -2.88 0.00 0.00 179.24 176.56 3bzc n THR 587 N -4.45 0.00 -4.11 2.25 -2.24 -0.62 -4.94 114.28 100.17 3bzc n THR 587 Ca 0.08 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 3bzc n THR 587 Cb 0.40 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 3bzc n THR 587 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bzc n GLU 588 N 0.55 -3.72 -4.06 -0.78 1.02 -0.09 -4.96 120.64 108.60 3bzc n GLU 588 Ca 0.17 0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 57.66 3bzc n GLU 588 Cb 0.44 -5.09 -0.09 0.00 -0.02 0.00 0.00 31.44 26.68 3bzc n GLU 588 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3bzc s ARG 589 N -6.79 0.73 0.33 3.49 0.52 -0.74 -5.04 118.95 111.45 3bzc s ARG 589 Ca 0.59 -1.23 -0.13 0.00 -0.52 0.00 0.00 55.73 54.44 3bzc s ARG 589 Cb -0.32 0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 3bzc s ARG 589 CO 0.90 -0.18 0.72 -0.51 0.02 0.00 0.00 175.30 176.25 3bzc s ASP 590 N -2.94 6.71 0.19 0.23 1.11 -1.26 -4.44 116.67 116.27 3bzc s ASP 590 Ca 0.11 1.21 -0.11 0.00 0.18 0.00 0.00 52.55 53.93 3bzc s ASP 590 Cb 0.07 -2.34 0.18 0.00 1.07 0.00 0.00 42.92 41.90 3bzc s ASP 590 CO -0.07 -0.22 1.79 0.40 1.18 0.00 0.00 175.17 178.25 3bzc h ILE 591 N 1.81 0.96 -0.98 0.77 2.04 -1.96 0.18 117.51 120.33 3bzc h ILE 591 Ca -0.48 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.29 3bzc h ILE 591 Cb 1.18 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3bzc h ILE 591 CO 0.66 0.10 0.61 0.03 0.00 0.00 0.00 178.15 179.55 3bzc h ARG 592 N 0.57 0.97 -0.14 2.37 3.08 -1.97 -1.70 114.38 117.57 3bzc h ARG 592 Ca 0.26 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3bzc h ARG 592 Cb 0.16 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3bzc h ARG 592 CO -0.17 0.65 -0.38 0.77 -1.07 0.00 0.00 179.97 179.77 3bzc h SER 593 N 1.00 0.31 0.41 7.04 0.02 -1.18 -3.08 113.55 118.07 3bzc h SER 593 Ca 0.47 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 3bzc h SER 593 Cb 0.40 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3bzc h SER 593 CO -0.24 0.66 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.45 3bzc h LEU 594 N 0.25 0.21 -9.10 5.07 3.38 0.13 -3.43 115.31 111.82 3bzc h LEU 594 Ca 0.03 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 57.31 3bzc h LEU 594 Cb 0.78 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3bzc h LEU 594 CO 0.06 0.76 1.20 -0.63 0.09 0.00 0.00 178.44 179.92 3bzc s ILE 595 N -3.76 3.46 0.00 1.22 1.01 -0.97 -1.79 121.20 120.37 3bzc s ILE 595 Ca -0.03 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3bzc s ILE 595 Cb 0.12 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3bzc s ILE 595 CO 0.79 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3bzc n GLY 596 N 4.78 0.35 2.96 6.18 0.00 -1.00 -4.99 105.19 113.48 3bzc n GLY 596 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3bzc n GLY 596 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bzc n ASP 597 N 0.00 4.12 -0.37 1.61 4.64 -0.74 -4.81 116.55 121.01 3bzc n ASP 597 Ca 0.00 -2.86 0.02 0.00 -1.38 0.00 0.00 54.79 50.57 3bzc n ASP 597 Cb 0.00 -1.68 0.17 0.00 -1.04 0.00 0.00 41.12 38.57 3bzc n ASP 597 CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 3bzc h SER 598 N 6.47 1.06 -0.15 1.67 0.87 -1.92 -2.05 113.55 119.50 3bzc h SER 598 Ca 0.53 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.87 3bzc h SER 598 Cb 0.70 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3bzc h SER 598 CO 1.77 0.69 -0.78 0.00 -0.53 0.00 0.00 176.83 177.98 3bzc h ALA 599 N 1.44 0.29 0.05 6.23 0.00 -1.99 -1.78 119.26 123.50 3bzc h ALA 599 Ca 0.42 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3bzc h ALA 599 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bzc h ALA 599 CO -0.16 0.67 -0.02 0.35 0.00 0.00 0.00 179.25 180.09 3bzc h PHE 600 N 0.53 -0.06 -0.87 0.00 3.57 -1.95 -2.39 116.94 115.77 3bzc h PHE 600 Ca -0.06 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.49 3bzc h PHE 600 Cb 1.42 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 3bzc h PHE 600 CO 0.09 0.23 0.55 -0.07 -2.23 0.00 0.00 178.31 176.88 3bzc h LEU 601 N -0.35 0.89 -1.56 0.59 3.38 -1.40 -0.67 115.31 116.19 3bzc h LEU 601 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3bzc h LEU 601 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bzc h LEU 601 CO 0.01 0.59 -0.21 0.50 0.09 0.00 0.00 178.44 179.42 3bzc h LYS 602 N 1.03 0.00 0.00 1.13 3.64 -1.32 -2.43 116.57 118.62 3bzc h LYS 602 Ca 0.36 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3bzc h LYS 602 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3bzc h LYS 602 CO -0.15 0.21 -0.23 0.00 -2.27 0.00 0.00 179.45 177.01 3bzc h ARG 603 N 0.00 0.00 -7.13 1.90 3.08 -0.58 -3.46 114.38 108.19 3bzc h ARG 603 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3bzc h ARG 603 Cb 0.51 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.67 3bzc h ARG 603 CO 0.03 0.23 0.43 -0.51 -1.07 0.00 0.00 179.97 179.08 3bzc s LEU 604 N -6.68 3.57 -0.46 3.04 1.43 -0.92 -4.99 118.68 113.67 3bzc s LEU 604 Ca 0.01 2.25 -0.14 0.00 -1.03 0.00 0.00 54.13 55.22 3bzc s LEU 604 Cb 0.10 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.81 3bzc s LEU 604 CO 0.64 -1.61 0.36 -0.62 0.23 0.00 0.00 176.35 175.36 3bzc s ASP 605 N -1.92 6.02 0.32 2.29 -1.08 -1.26 -4.96 116.67 116.08 3bzc s ASP 605 Ca 0.73 -1.38 0.08 0.00 -0.52 0.00 0.00 52.55 51.46 3bzc s ASP 605 Cb -0.26 -2.13 0.81 0.00 -1.46 0.00 0.00 42.92 39.88 3bzc s ASP 605 CO 0.35 -0.62 1.76 -0.65 0.52 0.00 0.00 175.17 176.53 3bzc h PRO 606 N 8.67 0.66 0.00 4.34 0.11 -1.95 -0.43 132.00 143.40 3bzc h PRO 606 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3bzc h PRO 606 Cb 1.10 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3bzc h PRO 606 CO 0.85 0.44 -0.04 0.87 -0.21 0.00 0.00 178.00 179.91 3bzc h LYS 607 N 0.68 0.00 0.00 1.05 1.57 -1.97 0.10 116.57 118.01 3bzc h LYS 607 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 3bzc h LYS 607 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3bzc h LYS 607 CO -0.41 0.04 0.00 -0.22 -0.57 0.00 0.00 179.45 178.29 3bzc h LYS 608 N 0.00 0.00 0.00 3.15 3.64 -1.50 -3.22 116.57 118.65 3bzc h LYS 608 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bzc h LYS 608 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3bzc h LYS 608 CO 0.01 0.00 -1.24 1.19 -2.27 0.00 0.00 179.45 177.14 3bzc n PHE 609 N -2.89 0.00 -0.75 1.91 3.01 0.34 -5.04 117.46 114.04 3bzc n PHE 609 Ca -0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.15 3bzc n PHE 609 Cb 0.06 -0.16 0.23 0.00 -0.01 0.00 0.00 39.48 39.61 3bzc n PHE 609 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3bzc s THR 610 N -2.44 1.96 0.00 4.37 -4.23 -1.14 -5.03 115.64 109.13 3bzc s THR 610 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 3bzc s THR 610 Cb 0.05 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3bzc s THR 610 CO 0.32 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.50 3bzc n ASP 611 N -4.75 0.00 0.02 3.99 5.68 0.46 -4.99 116.55 116.97 3bzc n ASP 611 Ca 0.04 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.20 3bzc n ASP 611 Cb 0.56 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.46 3bzc n ASP 611 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3bzc h GLU 612 N 0.00 -0.01 0.00 0.11 3.07 -2.01 -3.36 114.58 112.38 3bzc h GLU 612 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bzc h GLU 612 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3bzc h GLU 612 CO 0.00 0.18 -0.02 1.15 -1.40 0.00 0.00 179.01 178.92 3bzc h THR 613 N -0.20 1.41 -3.24 1.13 2.02 -2.02 -3.42 112.91 108.59 3bzc h THR 613 Ca -0.00 -2.06 -0.75 0.00 0.77 0.00 0.00 66.41 64.37 3bzc h THR 613 Cb 0.19 2.67 -0.26 0.00 -1.74 0.00 0.00 68.15 69.01 3bzc h THR 613 CO 0.00 0.48 -0.25 -0.36 0.37 0.00 0.00 175.52 175.76 3bzc s PHE 614 N -2.08 3.36 0.00 3.16 2.99 -1.26 -4.98 117.98 119.17 3bzc s PHE 614 Ca -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 56.93 55.18 3bzc s PHE 614 Cb -0.02 -3.68 0.00 0.00 0.00 0.00 0.00 43.02 39.31 3bzc s PHE 614 CO 0.54 -1.00 0.00 0.41 -0.00 0.00 0.00 175.22 175.17 3bzc n GLY 615 N 4.97 0.64 0.17 4.36 0.00 -1.26 -0.40 105.19 113.67 3bzc n GLY 615 Ca -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 3bzc n GLY 615 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bzc h LEU 616 N 0.00 -0.28 -0.23 0.99 5.85 -1.94 -2.20 115.31 117.50 3bzc h LEU 616 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3bzc h LEU 616 Cb 0.00 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3bzc h LEU 616 CO 0.00 -0.09 -0.11 -0.65 -0.34 0.00 0.00 178.44 177.25 3bzc h PRO 617 N 0.05 -0.07 -0.20 5.25 0.11 -1.98 0.27 132.00 135.42 3bzc h PRO 617 Ca 0.20 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.35 3bzc h PRO 617 Cb 0.30 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3bzc h PRO 617 CO -0.38 -0.05 -0.03 1.15 -0.21 0.00 0.00 178.00 178.48 3bzc h THR 618 N -0.07 0.83 -0.51 -1.15 2.02 -1.86 -1.30 112.91 110.87 3bzc h THR 618 Ca 0.12 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 3bzc h THR 618 Cb 0.26 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3bzc h THR 618 CO -0.28 0.01 -0.14 0.58 0.37 0.00 0.00 175.52 176.06 3bzc h VAL 619 N 0.03 1.27 -0.24 3.16 2.07 -0.96 -0.69 116.25 120.88 3bzc h VAL 619 Ca 0.10 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 3bzc h VAL 619 Cb 0.14 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3bzc h VAL 619 CO -0.19 0.45 -0.16 0.71 0.02 0.00 0.00 177.57 178.40 3bzc h THR 620 N 0.86 1.23 -0.12 2.57 1.35 -0.27 -2.03 112.91 116.49 3bzc h THR 620 Ca 0.13 -1.04 -0.12 0.00 -0.55 0.00 0.00 66.41 64.83 3bzc h THR 620 Cb 0.69 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3bzc h THR 620 CO 0.05 0.33 -0.39 0.44 -0.25 0.00 0.00 175.52 175.70 3bzc h ASP 621 N 0.39 0.55 -0.77 5.36 3.32 -0.91 -2.59 116.42 121.77 3bzc h ASP 621 Ca 0.07 -0.61 0.08 0.00 0.02 0.00 0.00 57.03 56.59 3bzc h ASP 621 Cb 0.51 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3bzc h ASP 621 CO 0.03 1.06 0.51 0.40 -1.72 0.00 0.00 179.24 179.52 3bzc h ILE 622 N 0.07 1.00 -0.18 0.35 2.04 -0.95 -0.57 117.51 119.26 3bzc h ILE 622 Ca -0.01 -0.27 -0.20 0.00 1.00 0.00 0.00 64.86 65.38 3bzc h ILE 622 Cb 1.01 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3bzc h ILE 622 CO 0.08 0.14 -0.69 -0.07 0.00 0.00 0.00 178.15 177.62 3bzc h LEU 623 N 0.77 0.85 -0.91 1.44 3.38 -1.30 -0.61 115.31 118.93 3bzc h LEU 623 Ca 0.34 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3bzc h LEU 623 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3bzc h LEU 623 CO -0.12 1.30 0.51 0.11 0.09 0.00 0.00 178.44 180.33 3bzc h LYS 624 N 0.53 1.27 -0.30 1.13 1.57 -1.04 -2.36 116.57 117.36 3bzc h LYS 624 Ca -0.02 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3bzc h LYS 624 Cb 1.29 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3bzc h LYS 624 CO 0.14 0.92 0.12 0.93 -0.57 0.00 0.00 179.45 180.99 3bzc h GLU 625 N 1.28 0.45 -0.49 3.15 4.39 -0.84 -1.03 114.58 121.48 3bzc h GLU 625 Ca 0.32 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.98 3bzc h GLU 625 Cb 0.01 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3bzc h GLU 625 CO -0.05 0.46 0.33 -0.07 -1.16 0.00 0.00 179.01 178.51 3bzc h LEU 626 N 0.34 0.47 0.28 1.33 3.38 -0.84 0.53 115.31 120.80 3bzc h LEU 626 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3bzc h LEU 626 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bzc h LEU 626 CO -0.01 0.32 -0.14 -0.78 0.09 0.00 0.00 178.44 177.93 3bzc h ASP 627 N 0.54 -0.32 -3.79 -0.43 3.58 -1.12 -2.85 116.42 112.04 3bzc h ASP 627 Ca 0.20 0.01 -0.62 0.00 0.42 0.00 0.00 57.03 57.04 3bzc h ASP 627 Cb 0.12 0.08 -0.41 0.00 1.72 0.00 0.00 39.33 40.85 3bzc h ASP 627 CO -0.05 -0.16 -0.69 -0.54 -2.88 0.00 0.00 179.24 174.92 3bzc s LYS 628 N -3.21 1.64 0.22 0.28 1.02 -0.42 -2.37 119.74 116.90 3bzc s LYS 628 Ca -0.06 -2.36 -0.31 0.00 0.02 0.00 0.00 55.97 53.27 3bzc s LYS 628 Cb 0.01 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 3bzc s LYS 628 CO 0.17 -1.16 1.49 -2.14 -0.92 0.00 0.00 175.35 172.79 3bzc s PRO 629 N -0.05 4.24 -1.67 -1.68 0.02 0.14 -3.06 135.00 132.96 3bzc s PRO 629 Ca 0.18 2.33 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 3bzc s PRO 629 Cb -0.23 -3.12 0.14 0.00 0.02 0.00 0.00 34.50 31.31 3bzc s PRO 629 CO -0.02 -0.49 0.85 0.41 -0.33 0.00 0.00 177.00 177.42 3bzc n GLY 630 N 2.71 -0.46 3.66 0.52 0.00 -1.23 -4.81 105.19 105.59 3bzc n GLY 630 Ca 0.09 0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 3bzc n GLY 630 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3bzc n ARG 631 N -4.47 1.97 -2.60 1.61 0.63 -1.17 -4.92 116.66 107.71 3bzc n ARG 631 Ca 0.07 0.70 -0.43 0.00 -0.92 0.00 0.00 57.85 57.28 3bzc n ARG 631 Cb 0.50 -2.34 -0.02 0.00 0.45 0.00 0.00 32.46 31.05 3bzc n ARG 631 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3bzc s ASP 632 N 0.22 7.15 0.01 6.15 3.68 -1.26 -4.92 116.67 127.70 3bzc s ASP 632 Ca 0.68 1.59 0.23 0.00 2.13 0.00 0.00 52.55 57.18 3bzc s ASP 632 Cb -0.66 -2.55 0.96 0.00 -1.45 0.00 0.00 42.92 39.22 3bzc s ASP 632 CO 0.51 -0.55 1.72 -0.81 0.13 0.00 0.00 175.17 176.17 3bzc n PRO 633 N 5.40 0.01 -2.44 4.34 -0.04 -1.26 -4.84 135.00 136.16 3bzc n PRO 633 Ca 0.10 0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.36 3bzc n PRO 633 Cb 0.47 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 3bzc n PRO 633 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3bzc s ARG 634 N -3.01 3.95 0.50 0.54 0.52 -1.26 -5.02 118.95 115.17 3bzc s ARG 634 Ca 0.11 1.00 -0.22 0.00 -0.52 0.00 0.00 55.73 56.10 3bzc s ARG 634 Cb 0.15 -2.14 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 3bzc s ARG 634 CO 0.41 -0.27 0.93 -0.35 0.02 0.00 0.00 175.30 176.04 3bzc n PRO 635 N -1.46 1.09 -2.52 3.54 -0.04 -1.26 -4.94 135.00 129.41 3bzc n PRO 635 Ca 0.07 0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 3bzc n PRO 635 Cb 0.54 -2.03 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 3bzc n PRO 635 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3bzc s GLU 636 N -2.26 4.59 -0.06 0.54 2.12 -1.26 -4.40 118.70 117.97 3bzc s GLU 636 Ca 0.68 1.71 -0.28 0.00 0.36 0.00 0.00 54.97 57.45 3bzc s GLU 636 Cb -0.50 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3bzc s GLU 636 CO 0.53 0.06 0.90 0.12 -0.54 0.00 0.00 175.26 176.33 3bzc s PHE 637 N -0.16 3.58 -0.17 5.30 5.36 -1.26 -4.98 117.98 125.65 3bzc s PHE 637 Ca 0.50 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.99 3bzc s PHE 637 Cb -0.29 -3.04 0.02 0.00 -0.34 0.00 0.00 43.02 39.36 3bzc s PHE 637 CO 0.34 -0.06 -0.20 0.15 -1.46 0.00 0.00 175.22 174.00 3bzc s LYS 638 N 1.30 2.96 0.34 10.12 -0.14 -1.26 -4.99 119.74 128.06 3bzc s LYS 638 Ca 0.46 -0.82 0.12 0.00 -1.36 0.00 0.00 55.97 54.37 3bzc s LYS 638 Cb -0.19 -2.51 0.60 0.00 -1.68 0.00 0.00 37.83 34.04 3bzc s LYS 638 CO 0.22 -0.16 1.75 1.15 -0.76 0.00 0.00 175.35 177.54 3bzc h THR 639 N 5.92 1.30 -0.32 2.17 2.02 -1.98 -3.02 112.91 119.00 3bzc h THR 639 Ca -0.42 -1.58 0.09 0.00 0.77 0.00 0.00 66.41 65.26 3bzc h THR 639 Cb 1.15 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3bzc h THR 639 CO 0.61 0.45 0.32 0.00 0.37 0.00 0.00 175.52 177.27 3bzc h ALA 640 N 1.54 2.04 -2.01 6.16 0.00 -2.00 -3.38 119.26 121.62 3bzc h ALA 640 Ca -0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 3bzc h ALA 640 Cb 0.82 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.75 3bzc h ALA 640 CO 0.06 -0.48 0.28 -1.21 0.00 0.00 0.00 179.25 177.89 3bzc s GLU 641 N -4.70 1.56 0.00 0.00 2.02 -1.14 -4.24 118.70 112.19 3bzc s GLU 641 Ca -0.05 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3bzc s GLU 641 Cb 0.16 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3bzc s GLU 641 CO 0.58 -1.69 0.00 1.19 0.02 0.00 0.00 175.26 175.36 3bzc n PHE 642 N -3.20 0.00 -2.02 1.61 3.01 -1.26 -4.91 117.46 110.69 3bzc n PHE 642 Ca 0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.15 3bzc n PHE 642 Cb 0.60 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 3bzc n PHE 642 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3bzc s GLN 643 N 0.00 3.73 0.73 -1.08 -0.21 -1.26 -4.83 119.66 116.73 3bzc s GLN 643 Ca 0.00 1.76 0.01 0.00 0.02 0.00 0.00 55.36 57.15 3bzc s GLN 643 Cb 0.00 -4.09 0.14 0.00 1.00 0.00 0.00 33.01 30.06 3bzc s GLN 643 CO 0.00 -1.38 1.00 -1.83 -2.12 0.00 0.00 175.29 170.96 3bzc s GLU 644 N 4.89 1.61 -0.11 2.91 1.03 -1.26 -4.61 118.70 123.16 3bzc s GLU 644 Ca 0.76 -1.32 0.00 0.00 0.03 0.00 0.00 54.97 54.44 3bzc s GLU 644 Cb -0.27 -2.37 0.00 0.00 -0.80 0.00 0.00 34.13 30.69 3bzc s GLU 644 CO 0.31 -1.49 0.00 0.41 -1.33 0.00 0.00 175.26 173.16 3bzc n GLY 645 N -2.82 0.49 3.70 -3.83 0.00 -1.26 -5.01 105.19 96.47 3bzc n GLY 645 Ca 0.17 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3bzc n GLY 645 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bzc s VAL 646 N -2.02 3.93 -0.09 1.61 1.01 -1.26 -4.92 120.40 118.66 3bzc s VAL 646 Ca 0.00 1.36 0.17 0.00 0.00 0.00 0.00 61.98 63.50 3bzc s VAL 646 Cb 0.00 -3.87 0.36 0.00 0.00 0.00 0.00 36.38 32.87 3bzc s VAL 646 CO 0.00 0.07 1.16 -0.62 0.00 0.00 0.00 175.10 175.71 3bzc n GLU 647 N 4.40 0.68 -3.77 2.72 1.02 -1.26 -4.74 120.64 119.69 3bzc n GLU 647 Ca 0.10 -2.38 -0.13 0.00 -0.02 0.00 0.00 57.16 54.73 3bzc n GLU 647 Cb 0.45 -0.78 -0.11 0.00 -0.02 0.00 0.00 31.44 30.98 3bzc n GLU 647 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3bzc s SER 648 N -2.39 -0.29 0.39 1.62 0.15 -1.26 -4.77 113.70 107.14 3bzc s SER 648 Ca 0.31 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.60 3bzc s SER 648 Cb 0.32 0.58 0.84 0.00 -1.71 0.00 0.00 66.02 66.05 3bzc s SER 648 CO -0.09 -0.11 1.98 0.25 1.20 0.00 0.00 173.24 176.46 3bzc h LEU 649 N 5.64 0.55 0.03 3.45 5.85 -1.96 -2.26 115.31 126.60 3bzc h LEU 649 Ca -0.26 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3bzc h LEU 649 Cb 1.19 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3bzc h LEU 649 CO 0.33 0.36 -0.38 0.11 -0.34 0.00 0.00 178.44 178.51 3bzc h LYS 650 N 0.63 -0.54 0.00 1.25 1.57 -1.97 -2.54 116.57 114.97 3bzc h LYS 650 Ca 0.28 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3bzc h LYS 650 Cb 0.30 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3bzc h LYS 650 CO -0.09 -0.36 0.00 -0.25 -0.57 0.00 0.00 179.45 178.18 3bzc n ASP 651 N -5.44 0.00 -4.72 0.86 8.00 -0.86 -4.67 116.55 109.71 3bzc n ASP 651 Ca -0.06 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 3bzc n ASP 651 Cb 0.36 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3bzc n ASP 651 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bzc s LEU 652 N -2.03 4.43 -0.12 0.64 1.43 -0.96 -5.01 118.68 117.05 3bzc s LEU 652 Ca 0.30 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 3bzc s LEU 652 Cb 0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3bzc s LEU 652 CO 0.24 -0.30 -0.21 -0.54 0.23 0.00 0.00 176.35 175.77 3bzc s LYS 653 N 0.40 3.11 -0.55 1.70 -0.14 -1.26 -5.01 119.74 117.99 3bzc s LYS 653 Ca 0.53 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 54.04 3bzc s LYS 653 Cb -0.27 -2.43 -0.09 0.00 -1.68 0.00 0.00 37.83 33.35 3bzc s LYS 653 CO 0.31 0.10 2.45 -0.35 -0.76 0.00 0.00 175.35 177.11 3bzc n PRO 654 N 3.76 0.92 0.00 -1.68 -0.04 -1.26 -2.28 135.00 134.42 3bzc n PRO 654 Ca -0.19 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3bzc n PRO 654 Cb 0.52 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 3bzc n PRO 654 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bzc n GLY 655 N 6.09 1.42 3.99 0.55 0.00 -1.01 -4.93 105.19 111.30 3bzc n GLY 655 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 3bzc n GLY 655 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bzc s MET 656 N 0.00 3.00 -0.29 1.61 -1.94 -0.96 -4.91 119.30 115.80 3bzc s MET 656 Ca 0.00 -0.93 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3bzc s MET 656 Cb 0.00 -2.73 0.07 0.00 2.01 0.00 0.00 34.83 34.19 3bzc s MET 656 CO 0.00 -0.14 -0.04 0.08 -0.01 0.00 0.00 175.02 174.91 3bzc s VAL 657 N -2.34 2.29 0.51 -6.03 1.01 -1.26 -1.87 120.40 112.71 3bzc s VAL 657 Ca 0.49 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.70 3bzc s VAL 657 Cb -0.10 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.85 3bzc s VAL 657 CO 0.33 -0.23 0.55 -0.76 0.00 0.00 0.00 175.10 175.00 3bzc s LEU 658 N 1.05 3.13 -0.37 3.92 2.01 0.12 -4.95 118.68 123.60 3bzc s LEU 658 Ca -0.02 -0.88 0.01 0.00 0.01 0.00 0.00 54.13 53.25 3bzc s LEU 658 Cb -0.20 -1.74 0.12 0.00 0.01 0.00 0.00 46.19 44.38 3bzc s LEU 658 CO -0.06 -1.03 0.15 -0.70 1.01 0.00 0.00 176.35 175.73 3bzc s GLU 659 N -4.38 1.03 0.41 1.70 2.12 -1.26 -1.69 118.70 116.62 3bzc s GLU 659 Ca 0.50 -1.56 0.08 0.00 0.36 0.00 0.00 54.97 54.35 3bzc s GLU 659 Cb -0.05 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 3bzc s GLU 659 CO 0.30 -1.06 0.42 0.20 -0.54 0.00 0.00 175.26 174.58 3bzc s GLY 660 N 1.00 2.05 -0.06 -1.50 0.00 -0.76 -4.89 107.32 103.15 3bzc s GLY 660 Ca 0.13 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 3bzc s GLY 660 CO -0.12 -1.63 -0.02 0.14 0.00 0.00 0.00 173.10 171.47 3bzc s VAL 661 N -2.42 4.10 -0.21 1.40 1.01 -0.92 -1.46 120.40 121.90 3bzc s VAL 661 Ca 0.49 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3bzc s VAL 661 Cb -0.05 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3bzc s VAL 661 CO 0.29 0.56 1.31 -0.69 0.00 0.00 0.00 175.10 176.57 3bzc s VAL 662 N -0.90 4.18 -0.02 2.92 1.01 -0.48 -0.11 120.40 126.99 3bzc s VAL 662 Ca 0.14 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 3bzc s VAL 662 Cb -0.11 -4.02 -0.30 0.00 0.00 0.00 0.00 36.38 31.94 3bzc s VAL 662 CO 0.04 -0.26 0.96 0.71 0.00 0.00 0.00 175.10 176.55 3bzc h THR 663 N 5.70 1.45 -3.30 3.92 1.35 -0.52 0.12 112.91 121.63 3bzc h THR 663 Ca -0.27 -2.47 -0.12 0.00 -0.55 0.00 0.00 66.41 63.00 3bzc h THR 663 Cb 1.11 3.04 -0.19 0.00 -1.73 0.00 0.00 68.15 70.37 3bzc h THR 663 CO 0.99 0.71 -0.35 0.20 -0.25 0.00 0.00 175.52 176.83 3bzc s ASN 664 N -7.05 -0.08 -0.04 5.36 0.01 -1.17 -4.74 114.94 107.24 3bzc s ASN 664 Ca -0.13 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 51.96 3bzc s ASN 664 Cb 0.02 0.29 -0.01 0.00 0.41 0.00 0.00 41.25 41.96 3bzc s ASN 664 CO 0.85 -0.47 -0.20 0.54 -1.51 0.00 0.00 177.10 176.31 3bzc s VAL 665 N -1.77 1.66 0.38 1.60 0.11 -1.26 -0.47 120.40 120.65 3bzc s VAL 665 Ca -0.11 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3bzc s VAL 665 Cb -0.04 -1.40 -0.06 0.00 -1.53 0.00 0.00 36.38 33.35 3bzc s VAL 665 CO 0.01 0.47 0.05 0.42 -3.33 0.00 0.00 175.10 172.72 3bzc s THR 666 N -0.20 1.33 -1.19 5.04 -4.23 0.14 -4.98 115.64 111.56 3bzc s THR 666 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 3bzc s THR 666 Cb -0.11 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 71.08 3bzc s THR 666 CO 0.01 0.00 1.11 0.59 -0.54 0.00 0.00 174.62 175.80 3bzc n ASN 667 N -0.91 0.00 0.00 3.99 4.13 -1.26 -2.53 115.26 118.68 3bzc n ASN 667 Ca -0.05 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.57 3bzc n ASN 667 Cb 0.67 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 3bzc n ASN 667 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 3bzc n PHE 668 N -1.40 0.00 -3.37 3.10 1.16 -1.26 -4.81 117.46 110.89 3bzc n PHE 668 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 57.45 55.44 3bzc n PHE 668 Cb 0.06 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 3bzc n PHE 668 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3bzc n GLY 669 N -0.16 -0.35 2.98 4.97 0.00 -1.05 -2.17 105.19 109.40 3bzc n GLY 669 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 3bzc n GLY 669 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzc s ALA 670 N -1.00 0.24 -0.16 4.61 0.00 0.23 0.29 121.76 125.97 3bzc s ALA 670 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3bzc s ALA 670 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3bzc s ALA 670 CO 0.00 -0.07 0.02 -0.06 0.00 0.00 0.00 175.76 175.64 3bzc s PHE 671 N -1.07 3.16 -0.00 0.00 0.40 0.38 -0.32 117.98 120.53 3bzc s PHE 671 Ca -0.10 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 3bzc s PHE 671 Cb -0.08 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 3bzc s PHE 671 CO -0.00 0.14 -0.21 0.08 0.70 0.00 0.00 175.22 175.93 3bzc s VAL 672 N 0.16 1.64 -0.41 -0.44 1.01 0.46 0.28 120.40 123.09 3bzc s VAL 672 Ca 0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3bzc s VAL 672 Cb -0.13 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.94 3bzc s VAL 672 CO 0.02 0.41 0.26 -0.62 0.00 0.00 0.00 175.10 175.18 3bzc s ASP 673 N -0.61 5.78 0.00 3.32 2.15 0.84 -0.73 116.67 127.42 3bzc s ASP 673 Ca 0.08 -1.26 0.26 0.00 0.43 0.00 0.00 52.55 52.06 3bzc s ASP 673 Cb -0.08 -2.04 0.65 0.00 -0.30 0.00 0.00 42.92 41.14 3bzc s ASP 673 CO -0.00 -0.50 1.50 2.30 -0.17 0.00 0.00 175.17 178.30 3bzc n ILE 674 N 5.01 0.00 -0.53 4.11 -5.35 -1.26 -2.17 119.36 119.16 3bzc n ILE 674 Ca -0.11 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3bzc n ILE 674 Cb 0.44 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 3bzc n ILE 674 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bzc n GLY 675 N 1.31 1.53 0.60 3.28 0.00 -1.26 -4.91 105.19 105.73 3bzc n GLY 675 Ca 0.14 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3bzc n GLY 675 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bzc n VAL 676 N -1.83 1.96 -1.88 1.61 0.24 -1.26 -4.54 118.33 112.64 3bzc n VAL 676 Ca 0.00 -1.83 -0.18 0.00 -2.04 0.00 0.00 64.34 60.29 3bzc n VAL 676 Cb 0.13 -0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.33 3bzc n VAL 676 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3bzc n HIS 677 N -0.63 -0.37 -3.68 6.34 8.25 -1.26 -4.57 115.22 119.29 3bzc n HIS 677 Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.53 3bzc n HIS 677 Cb 0.74 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 28.46 3bzc n HIS 677 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3bzc s GLN 678 N -4.12 0.54 0.38 -0.41 2.00 -1.26 -5.16 119.66 111.64 3bzc s GLN 678 Ca 0.00 0.85 -0.24 0.00 -2.00 0.00 0.00 55.36 53.97 3bzc s GLN 678 Cb 0.00 0.14 -0.10 0.00 0.80 0.00 0.00 33.01 33.86 3bzc s GLN 678 CO 0.00 -0.12 1.00 -0.51 -0.50 0.00 0.00 175.29 175.16 3bzc s ASP 679 N 0.98 6.98 0.10 6.67 1.01 -1.26 -4.57 116.67 126.57 3bzc s ASP 679 Ca -0.06 1.91 -0.03 0.00 0.71 0.00 0.00 52.55 55.08 3bzc s ASP 679 Cb -0.06 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3bzc s ASP 679 CO -0.09 -0.33 0.30 -0.83 0.21 0.00 0.00 175.17 174.43 3bzc s GLY 680 N -1.69 2.22 -0.46 0.21 0.00 0.09 -4.52 107.32 103.16 3bzc s GLY 680 Ca 0.56 -0.67 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 3bzc s GLY 680 CO 0.24 -0.60 0.35 -2.27 0.00 0.00 0.00 173.10 170.81 3bzc s LEU 681 N -2.50 5.53 -0.42 0.66 2.96 -1.24 -0.41 118.68 123.26 3bzc s LEU 681 Ca 0.37 -1.52 -0.29 0.00 -0.22 0.00 0.00 54.13 52.47 3bzc s LEU 681 Cb -0.13 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3bzc s LEU 681 CO 0.25 -0.64 1.25 -0.69 -1.32 0.00 0.00 176.35 175.20 3bzc s VAL 682 N 1.52 4.12 1.23 1.68 1.01 0.57 -3.80 120.40 126.73 3bzc s VAL 682 Ca 0.04 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 3bzc s VAL 682 Cb -0.25 -4.40 0.31 0.00 0.00 0.00 0.00 36.38 32.04 3bzc s VAL 682 CO 0.04 -0.82 1.00 -1.00 0.00 0.00 0.00 175.10 174.32 3bzc s HIS 683 N 4.73 0.91 0.13 5.22 0.09 -1.26 -0.60 115.29 124.50 3bzc s HIS 683 Ca 0.53 0.99 -0.16 0.00 -0.00 0.00 0.00 55.06 56.43 3bzc s HIS 683 Cb -0.11 -3.06 -0.01 0.00 -0.00 0.00 0.00 32.58 29.40 3bzc s HIS 683 CO 0.30 -4.15 1.64 0.97 -0.00 0.00 0.00 174.74 173.50 3bzc h ILE 684 N -2.82 1.22 -0.00 0.60 2.10 -1.79 -2.37 117.51 114.45 3bzc h ILE 684 Ca -0.58 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 64.64 3bzc h ILE 684 Cb 1.34 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3bzc h ILE 684 CO 0.46 0.25 -0.20 -1.54 -1.08 0.00 0.00 178.15 176.05 3bzc n SER 685 N -4.60 0.38 0.11 2.19 3.41 -1.26 -2.96 113.62 110.88 3bzc n SER 685 Ca -0.00 -0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3bzc n SER 685 Cb 0.18 -0.09 0.25 0.00 -0.26 0.00 0.00 64.21 64.30 3bzc n SER 685 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bzc h ALA 686 N 3.28 0.81 -0.10 7.33 0.00 -1.69 -3.33 119.26 125.55 3bzc h ALA 686 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3bzc h ALA 686 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3bzc h ALA 686 CO 0.00 0.00 -0.16 -0.07 0.00 0.00 0.00 179.25 179.02 3bzc h LEU 687 N 0.00 0.14 -8.21 0.00 3.38 -1.35 -3.37 115.31 105.90 3bzc h LEU 687 Ca 0.00 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 3bzc h LEU 687 Cb 0.80 -0.04 -0.23 0.00 0.09 0.00 0.00 40.66 41.28 3bzc h LEU 687 CO 0.00 0.32 -0.76 -0.55 0.09 0.00 0.00 178.44 177.54 3bzc s SER 688 N -6.92 1.15 0.14 -0.43 0.15 -1.25 -4.95 113.70 101.58 3bzc s SER 688 Ca -0.05 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 3bzc s SER 688 Cb 0.15 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 3bzc s SER 688 CO 0.72 -0.09 1.68 -0.08 1.20 0.00 0.00 173.24 176.67 3bzc h GLU 689 N 4.77 0.67 0.00 5.44 4.81 -1.87 -3.44 114.58 124.95 3bzc h GLU 689 Ca -0.36 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3bzc h GLU 689 Cb 1.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3bzc h GLU 689 CO 0.43 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 180.96 3bzc n LYS 690 N -4.59 3.21 -3.91 1.92 5.02 -1.26 -5.03 118.16 113.52 3bzc n LYS 690 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3bzc n LYS 690 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.12 3bzc n LYS 690 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3bzc s PHE 691 N 0.16 3.56 -0.27 2.13 5.36 -1.26 -5.06 117.98 122.60 3bzc s PHE 691 Ca 0.00 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.39 3bzc s PHE 691 Cb 0.00 -1.89 0.03 0.00 -0.34 0.00 0.00 43.02 40.82 3bzc s PHE 691 CO 0.00 0.69 -0.01 0.08 -1.46 0.00 0.00 175.22 174.52 3bzc s VAL 692 N -1.14 3.18 -0.14 3.12 1.01 -1.26 -4.93 120.40 120.24 3bzc s VAL 692 Ca 0.20 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3bzc s VAL 692 Cb -0.12 -2.66 -0.23 0.00 0.00 0.00 0.00 36.38 33.36 3bzc s VAL 692 CO 0.10 0.11 0.30 1.17 0.00 0.00 0.00 175.10 176.77 3bzc n LYS 693 N 4.71 0.68 -3.64 2.72 4.81 -1.26 -4.90 118.16 121.28 3bzc n LYS 693 Ca -0.15 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.25 3bzc n LYS 693 Cb 0.47 -1.66 -0.17 0.00 0.02 0.00 0.00 35.03 33.68 3bzc n LYS 693 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3bzc s ASP 694 N -6.27 1.67 0.26 3.14 2.15 -1.26 -5.03 116.67 111.33 3bzc s ASP 694 Ca -0.16 -0.23 -0.04 0.00 0.43 0.00 0.00 52.55 52.55 3bzc s ASP 694 Cb 0.07 -0.15 0.31 0.00 -0.30 0.00 0.00 42.92 42.86 3bzc s ASP 694 CO 0.77 -0.30 1.83 -0.65 -0.17 0.00 0.00 175.17 176.66 3bzc h PRO 695 N 8.42 1.02 -0.10 4.34 0.11 -1.87 -2.42 132.00 141.51 3bzc h PRO 695 Ca -0.14 -0.17 0.03 0.00 0.11 0.00 0.00 66.00 65.83 3bzc h PRO 695 Cb 1.13 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3bzc h PRO 695 CO 0.22 0.83 0.08 1.88 -0.21 0.00 0.00 178.00 180.80 3bzc h TYR 696 N 1.00 0.00 -0.01 0.65 -1.99 -1.82 -0.63 116.97 114.18 3bzc h TYR 696 Ca 0.23 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 3bzc h TYR 696 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 3bzc h TYR 696 CO 0.02 0.00 -0.01 1.49 -0.00 0.00 0.00 178.16 179.65 3bzc h GLU 697 N 0.00 0.03 -0.03 4.88 4.57 -1.87 -3.36 114.58 118.81 3bzc h GLU 697 Ca 0.05 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.97 3bzc h GLU 697 Cb 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3bzc h GLU 697 CO -0.00 0.50 -0.96 0.28 -1.18 0.00 0.00 179.01 177.64 3bzc h VAL 698 N -0.44 1.32 -3.19 0.32 2.07 -1.30 -3.47 116.25 111.56 3bzc h VAL 698 Ca 0.00 -2.26 -0.38 0.00 0.82 0.00 0.00 66.70 64.89 3bzc h VAL 698 Cb 0.49 2.32 -0.14 0.00 -1.52 0.00 0.00 31.29 32.44 3bzc h VAL 698 CO 0.00 0.69 -0.71 0.68 0.02 0.00 0.00 177.57 178.26 3bzc s VAL 699 N -3.38 1.34 0.00 2.57 -7.23 -0.31 -5.13 120.40 108.26 3bzc s VAL 699 Ca -0.09 -2.11 -0.00 0.00 -1.81 0.00 0.00 61.98 57.98 3bzc s VAL 699 Cb 0.08 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 3bzc s VAL 699 CO 0.90 -0.62 0.00 -0.54 -0.31 0.00 0.00 175.10 174.53 3bzc s LYS 700 N -3.73 0.10 0.35 4.82 1.02 -1.26 -4.44 119.74 116.60 3bzc s LYS 700 Ca 0.21 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 3bzc s LYS 700 Cb 0.02 0.04 -0.12 0.00 -0.52 0.00 0.00 37.83 37.25 3bzc s LYS 700 CO 0.04 -0.02 1.32 0.00 -0.92 0.00 0.00 175.35 175.77 3bzc n ALA 701 N 2.67 1.47 0.00 5.17 0.00 -1.26 -1.79 120.51 126.76 3bzc n ALA 701 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3bzc n ALA 701 Cb 0.59 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3bzc n ALA 701 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzc n GLY 702 N 0.72 3.15 3.72 0.00 0.00 0.41 -4.97 105.19 108.22 3bzc n GLY 702 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3bzc n GLY 702 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bzc s ASP 703 N -0.49 6.88 -1.17 1.61 1.01 -0.74 -4.71 116.67 119.07 3bzc s ASP 703 Ca 0.00 2.29 -0.16 0.00 0.71 0.00 0.00 52.55 55.39 3bzc s ASP 703 Cb 0.00 -2.59 0.13 0.00 1.01 0.00 0.00 42.92 41.47 3bzc s ASP 703 CO 0.00 -0.60 1.46 -0.63 0.21 0.00 0.00 175.17 175.61 3bzc s ILE 704 N 0.90 4.66 0.38 0.77 1.01 -1.26 -1.39 121.20 126.28 3bzc s ILE 704 Ca 0.62 -2.12 -0.25 0.00 0.00 0.00 0.00 60.65 58.90 3bzc s ILE 704 Cb -0.36 -4.97 -0.09 0.00 0.01 0.00 0.00 42.46 37.05 3bzc s ILE 704 CO 0.32 -1.73 1.09 0.68 0.00 0.00 0.00 174.94 175.29 3bzc s VAL 705 N 2.71 3.54 -0.83 2.92 -7.23 -0.53 -4.87 120.40 116.11 3bzc s VAL 705 Ca 0.44 1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 61.69 3bzc s VAL 705 Cb -0.01 -3.69 0.15 0.00 0.56 0.00 0.00 36.38 33.38 3bzc s VAL 705 CO -0.00 0.09 0.95 -0.75 -0.31 0.00 0.00 175.10 175.07 3bzc s LYS 706 N -2.28 3.48 0.29 4.82 2.20 -1.26 -1.83 119.74 125.16 3bzc s LYS 706 Ca 0.56 -1.82 0.04 0.00 -0.36 0.00 0.00 55.97 54.38 3bzc s LYS 706 Cb -0.26 -4.64 -0.03 0.00 -1.51 0.00 0.00 37.83 31.40 3bzc s LYS 706 CO 0.32 -1.61 0.45 0.14 -0.36 0.00 0.00 175.35 174.29 3bzc s VAL 707 N 2.09 5.00 -0.07 4.02 -7.23 -0.68 -4.85 120.40 118.68 3bzc s VAL 707 Ca 0.24 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3bzc s VAL 707 Cb -0.10 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.08 3bzc s VAL 707 CO -0.06 -0.38 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.78 3bzc s LYS 708 N -4.13 0.88 0.42 4.82 1.02 -1.26 0.14 119.74 121.62 3bzc s LYS 708 Ca 0.38 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.05 3bzc s LYS 708 Cb -0.09 -1.03 -0.09 0.00 -0.52 0.00 0.00 37.83 36.10 3bzc s LYS 708 CO 0.32 -0.20 1.39 0.08 -0.92 0.00 0.00 175.35 176.02 3bzc s VAL 709 N 1.46 2.27 0.01 3.17 1.01 -0.78 -2.74 120.40 124.80 3bzc s VAL 709 Ca -0.02 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 3bzc s VAL 709 Cb -0.13 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 3bzc s VAL 709 CO -0.03 0.04 -0.00 0.23 0.00 0.00 0.00 175.10 175.34 3bzc n MET 710 N 0.07 0.00 -3.90 2.72 2.81 0.79 -2.39 117.12 117.21 3bzc n MET 710 Ca 0.04 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.64 3bzc n MET 710 Cb 0.42 -0.07 -0.12 0.00 -0.71 0.00 0.00 33.22 32.73 3bzc n MET 710 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3bzc s GLU 711 N -1.13 2.36 0.60 0.03 2.02 -1.17 -4.49 118.70 116.93 3bzc s GLU 711 Ca -0.00 -3.21 -0.16 0.00 0.02 0.00 0.00 54.97 51.62 3bzc s GLU 711 Cb 0.00 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 3bzc s GLU 711 CO 0.00 -1.26 1.08 0.54 0.02 0.00 0.00 175.26 175.64 3bzc s VAL 712 N -1.24 3.55 -0.24 2.63 0.11 -1.26 -2.07 120.40 121.87 3bzc s VAL 712 Ca 0.24 0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 60.02 3bzc s VAL 712 Cb -0.08 -3.28 0.13 0.00 -1.53 0.00 0.00 36.38 31.62 3bzc s VAL 712 CO -0.14 -0.40 0.40 -0.62 -3.33 0.00 0.00 175.10 171.01 3bzc s ASP 713 N -2.57 0.05 -0.05 3.54 3.68 0.45 -4.92 116.67 116.85 3bzc s ASP 713 Ca 0.66 0.35 -0.24 0.00 2.13 0.00 0.00 52.55 55.45 3bzc s ASP 713 Cb -0.18 1.23 -0.19 0.00 -1.45 0.00 0.00 42.92 42.33 3bzc s ASP 713 CO 0.36 -0.29 1.06 0.40 0.13 0.00 0.00 175.17 176.83 3bzc h ILE 714 N 6.17 1.21 -0.24 4.11 5.03 -1.91 0.19 117.51 132.06 3bzc h ILE 714 Ca -0.19 -1.26 0.05 0.00 -0.12 0.00 0.00 64.86 63.34 3bzc h ILE 714 Cb 1.15 1.99 -0.05 0.00 -3.03 0.00 0.00 36.82 36.88 3bzc h ILE 714 CO 0.26 0.30 -0.08 -0.65 -0.68 0.00 0.00 178.15 177.30 3bzc h PRO 715 N -0.70 -0.02 -0.00 2.37 0.11 -1.97 -0.34 132.00 131.45 3bzc h PRO 715 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3bzc h PRO 715 Cb 0.57 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3bzc h PRO 715 CO 0.02 -0.02 -0.09 -2.13 -0.21 0.00 0.00 178.00 175.57 3bzc n ARG 716 N -5.24 0.01 -3.05 1.05 3.00 -1.26 -4.95 116.66 106.23 3bzc n ARG 716 Ca -0.01 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.71 3bzc n ARG 716 Cb 0.16 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.18 3bzc n ARG 716 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3bzc n ASN 717 N -1.49 -2.54 -4.22 6.15 2.85 -0.14 -5.04 115.26 110.83 3bzc n ASN 717 Ca 0.07 -0.43 -0.15 0.00 -0.11 0.00 0.00 54.58 53.97 3bzc n ASN 717 Cb 0.34 -3.73 -0.10 0.00 1.24 0.00 0.00 39.78 37.52 3bzc n ASN 717 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3bzc s ARG 718 N -5.11 0.99 -0.06 1.20 0.52 -0.02 -4.99 118.95 111.47 3bzc s ARG 718 Ca 0.07 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 3bzc s ARG 718 Cb -0.03 -0.62 0.02 0.00 0.52 0.00 0.00 34.95 34.84 3bzc s ARG 718 CO 0.51 0.09 -0.05 0.54 0.02 0.00 0.00 175.30 176.41 3bzc s VAL 719 N -2.91 0.64 -0.38 3.52 0.11 -1.26 -0.41 120.40 119.70 3bzc s VAL 719 Ca 0.12 -0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 3bzc s VAL 719 Cb -0.00 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 3bzc s VAL 719 CO 0.01 0.27 0.81 -0.83 -3.33 0.00 0.00 175.10 172.03 3bzc s GLY 720 N 1.29 1.62 -0.02 6.54 0.00 -0.88 -3.68 107.32 112.19 3bzc s GLY 720 Ca -0.05 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 3bzc s GLY 720 CO -0.02 1.82 0.23 1.08 0.00 0.00 0.00 173.10 176.21 3bzc s LEU 721 N 3.22 4.38 -0.03 0.66 1.43 -1.25 -0.15 118.68 126.95 3bzc s LEU 721 Ca 0.33 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3bzc s LEU 721 Cb -0.13 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 3bzc s LEU 721 CO 0.18 0.29 -0.02 -1.54 0.23 0.00 0.00 176.35 175.49 3bzc n SER 722 N 1.27 3.81 -3.87 2.29 3.41 -1.11 -3.98 113.62 115.44 3bzc n SER 722 Ca -0.13 -0.01 -0.27 0.00 -0.26 0.00 0.00 58.87 58.20 3bzc n SER 722 Cb 0.53 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3bzc n SER 722 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3bzc n MET 723 N -2.57 -2.88 -3.64 4.33 0.00 -1.26 -4.37 117.12 106.72 3bzc n MET 723 Ca -0.05 0.43 -0.10 0.00 0.00 0.00 0.00 57.70 57.98 3bzc n MET 723 Cb 0.55 -4.44 -0.04 0.00 0.00 0.00 0.00 33.22 29.29 3bzc n MET 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3bzc s ARG 724 N -6.39 1.14 0.21 2.12 3.52 -1.26 -4.52 118.95 113.76 3bzc s ARG 724 Ca 0.12 -0.73 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 3bzc s ARG 724 Cb -0.05 0.48 0.15 0.00 -1.56 0.00 0.00 34.95 33.98 3bzc s ARG 724 CO 0.88 -0.45 1.74 1.98 -0.81 0.00 0.00 175.30 178.63 3bzc h MET 725 N 2.32 1.13 -0.94 5.12 1.85 -1.92 -3.29 114.93 119.19 3bzc h MET 725 Ca -0.33 -0.26 0.11 0.00 -0.61 0.00 0.00 59.70 58.62 3bzc h MET 725 Cb 1.26 -0.16 -0.13 0.00 0.43 0.00 0.00 31.60 33.00 3bzc h MET 725 CO 0.45 0.98 -0.50 0.77 -0.40 0.00 0.00 176.91 178.21 3bzc h SER 726 N 1.07 -1.81 -5.94 1.39 0.02 -1.98 -3.45 113.55 102.85 3bzc h SER 726 Ca 0.23 0.31 -0.39 0.00 -0.84 0.00 0.00 61.79 61.10 3bzc h SER 726 Cb 0.34 0.85 0.09 0.00 0.14 0.00 0.00 62.40 63.82 3bzc h SER 726 CO -0.00 -0.27 -0.78 0.47 -1.14 0.00 0.00 176.83 175.11 3bzc n ASP 727 N -5.36 -2.66 -3.82 3.07 8.00 -1.24 -4.97 116.55 109.57 3bzc n ASP 727 Ca 0.05 -0.71 -0.29 0.00 0.71 0.00 0.00 54.79 54.55 3bzc n ASP 727 Cb 0.33 -4.53 -0.12 0.00 -0.02 0.00 0.00 41.12 36.78 3bzc n ASP 727 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bzc s THR 728 N -3.47 2.27 1.22 -3.53 -4.23 -1.26 -5.11 115.64 101.53 3bzc s THR 728 Ca 0.17 -3.59 -0.17 0.00 -1.18 0.00 0.00 61.69 56.93 3bzc s THR 728 Cb -0.08 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.49 3bzc s THR 728 CO 0.78 -0.97 0.64 -2.65 -0.54 0.00 0.00 174.62 171.88 3bzc n PRO 729 N 2.59 -2.81 0.00 3.99 -0.02 -1.26 -5.12 135.00 132.37 3bzc n PRO 729 Ca 0.16 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 3bzc n PRO 729 Cb 0.36 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3bzc n PRO 729 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89