#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjx s ASN 3 N 0.00 6.34 0.29 1.09 4.22 -1.26 -4.97 114.94 120.65 3bjx s ASN 3 Ca 0.00 2.14 0.26 0.00 -2.14 0.00 0.00 52.86 53.12 3bjx s ASN 3 Cb 0.00 -2.59 0.91 0.00 1.28 0.00 0.00 41.25 40.85 3bjx s ASN 3 CO 0.00 -0.79 1.76 1.55 -2.04 0.00 0.00 177.10 177.58 3bjx h PRO 4 N 2.02 0.00 0.00 3.55 0.13 -1.98 -2.76 132.00 132.95 3bjx h PRO 4 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3bjx h PRO 4 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3bjx h PRO 4 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 3bjx n ALA 5 N -1.84 1.98 -2.72 -0.56 0.00 -1.26 -4.75 120.51 111.35 3bjx n ALA 5 Ca 0.03 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 3bjx n ALA 5 Cb 0.34 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 3bjx n ALA 5 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3bjx s TYR 6 N -3.19 3.48 -0.06 0.00 5.04 -1.04 -4.44 117.35 117.15 3bjx s TYR 6 Ca 0.08 0.59 0.06 0.00 -2.44 0.00 0.00 57.07 55.36 3bjx s TYR 6 Cb 0.11 -2.29 -0.01 0.00 0.35 0.00 0.00 41.96 40.12 3bjx s TYR 6 CO 0.48 0.31 -0.23 0.12 -1.34 0.00 0.00 175.55 174.89 3bjx s PHE 7 N 0.24 2.28 -0.24 4.97 5.36 -1.26 -4.78 117.98 124.56 3bjx s PHE 7 Ca 0.16 -0.69 -0.39 0.00 -0.96 0.00 0.00 56.93 55.05 3bjx s PHE 7 Cb -0.13 -1.50 -0.18 0.00 -0.34 0.00 0.00 43.02 40.87 3bjx s PHE 7 CO 0.04 -0.21 1.21 -2.30 -1.46 0.00 0.00 175.22 172.49 3bjx n PRO 8 N 3.01 0.00 -3.74 10.12 -0.01 -1.26 -4.95 135.00 138.17 3bjx n PRO 8 Ca -0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.29 3bjx n PRO 8 Cb 0.52 -1.34 -0.01 0.00 -0.01 0.00 0.00 33.50 32.67 3bjx n PRO 8 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 3bjx s GLN 9 N 1.42 0.98 -0.24 -0.52 -2.07 -1.26 -4.65 119.66 113.32 3bjx s GLN 9 Ca 0.88 -0.56 -0.00 0.00 -1.82 0.00 0.00 55.36 53.85 3bjx s GLN 9 Cb -1.24 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 31.03 3bjx s GLN 9 CO 0.63 -0.45 -0.10 -1.17 -1.32 0.00 0.00 175.29 172.88 3bjx s LEU 10 N -3.04 3.05 0.73 2.60 2.96 0.28 -4.96 118.68 120.30 3bjx s LEU 10 Ca 0.15 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 3bjx s LEU 10 Cb 0.00 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.11 3bjx s LEU 10 CO 0.01 -0.12 1.07 -0.94 -1.32 0.00 0.00 176.35 175.05 3bjx s SER 11 N 1.27 5.09 0.50 3.68 1.04 -1.26 -4.72 113.70 119.30 3bjx s SER 11 Ca -0.01 1.52 0.20 0.00 0.48 0.00 0.00 55.95 58.14 3bjx s SER 11 Cb -0.17 -2.35 1.27 0.00 0.10 0.00 0.00 66.02 64.88 3bjx s SER 11 CO -0.06 -1.61 2.07 1.56 0.98 0.00 0.00 173.24 176.18 3bjx h GLN 12 N -0.84 0.00 -0.07 4.02 4.20 -1.97 -2.16 115.11 118.29 3bjx h GLN 12 Ca -0.45 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.08 3bjx h GLN 12 Cb 1.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 3bjx h GLN 12 CO 0.58 0.12 -0.66 1.25 -0.67 0.00 0.00 178.83 179.44 3bjx h LEU 13 N 0.00 0.71 0.00 1.46 5.85 -2.04 -3.36 115.31 117.93 3bjx h LEU 13 Ca -0.00 -0.68 -0.09 0.00 0.84 0.00 0.00 57.88 57.94 3bjx h LEU 13 Cb 0.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3bjx h LEU 13 CO 0.02 1.28 -0.63 0.44 -0.34 0.00 0.00 178.44 179.21 3bjx h ASP 14 N 0.19 0.00 -2.99 1.25 3.32 -1.84 -3.47 116.42 112.88 3bjx h ASP 14 Ca -0.06 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.40 3bjx h ASP 14 Cb 1.32 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.00 3bjx h ASP 14 CO 0.13 0.39 0.22 0.55 -1.72 0.00 0.00 179.24 178.82 3bjx n VAL 15 N -3.10 2.27 -3.56 -1.35 3.14 -0.84 -4.98 118.33 109.91 3bjx n VAL 15 Ca 0.00 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.71 3bjx n VAL 15 Cb 0.71 -1.21 -0.06 0.00 -1.06 0.00 0.00 33.84 32.22 3bjx n VAL 15 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3bjx s SER 16 N -0.62 -0.59 0.00 6.55 1.04 -1.26 -4.69 113.70 114.13 3bjx s SER 16 Ca 0.61 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.66 3bjx s SER 16 Cb -0.59 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3bjx s SER 16 CO 0.58 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3bjx n GLY 17 N 0.95 0.49 1.46 7.32 0.00 -1.26 -4.04 105.19 110.11 3bjx n GLY 17 Ca -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3bjx n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bjx n GLU 18 N 4.86 0.18 0.00 1.61 2.13 -1.26 -3.02 120.64 125.14 3bjx n GLU 18 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3bjx n GLU 18 Cb 0.00 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.30 3bjx n GLU 18 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3bjx n GLU 20 N 1.41 0.00 0.02 5.31 2.13 -1.26 -0.54 120.64 127.71 3bjx n GLU 20 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3bjx n GLU 20 Cb 0.09 0.00 0.20 0.00 0.27 0.00 0.00 31.44 32.00 3bjx n GLU 20 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3bjx h SER 21 N 0.00 0.47 0.32 4.31 0.87 -1.90 -2.06 113.55 115.56 3bjx h SER 21 Ca 0.00 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3bjx h SER 21 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3bjx h SER 21 CO 0.00 0.73 -0.16 0.74 -0.53 0.00 0.00 176.83 177.62 3bjx h THR 22 N 0.41 0.70 -0.75 2.23 2.02 -1.12 -2.28 112.91 114.12 3bjx h THR 22 Ca 0.06 -0.40 0.16 0.00 0.77 0.00 0.00 66.41 67.00 3bjx h THR 22 Cb 0.69 0.91 -0.11 0.00 -1.74 0.00 0.00 68.15 67.89 3bjx h THR 22 CO 0.05 0.08 0.19 1.88 0.37 0.00 0.00 175.52 178.09 3bjx h TYR 23 N -0.66 0.29 -0.26 3.16 -1.99 -1.82 0.02 116.97 115.71 3bjx h TYR 23 Ca -0.04 0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3bjx h TYR 23 Cb 0.46 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3bjx h TYR 23 CO -0.00 -0.09 -0.16 1.49 -0.00 0.00 0.00 178.16 179.40 3bjx h GLU 24 N 0.27 0.58 -0.39 4.88 4.57 -1.36 -2.17 114.58 120.95 3bjx h GLU 24 Ca 0.42 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3bjx h GLU 24 Cb 0.73 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3bjx h GLU 24 CO -0.52 0.84 0.07 0.22 -1.18 0.00 0.00 179.01 178.44 3bjx h ASP 25 N 0.30 0.54 0.36 1.04 3.58 -1.07 0.23 116.42 121.40 3bjx h ASP 25 Ca 0.06 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 3bjx h ASP 25 Cb 0.68 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3bjx h ASP 25 CO 0.04 0.57 -0.17 0.40 -2.88 0.00 0.00 179.24 177.20 3bjx h ILE 26 N 0.57 0.66 -0.34 2.25 2.04 -0.89 0.32 117.51 122.12 3bjx h ILE 26 Ca 0.13 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3bjx h ILE 26 Cb 0.26 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 3bjx h ILE 26 CO 0.00 0.02 -0.05 0.03 0.00 0.00 0.00 178.15 178.15 3bjx h ARG 27 N -0.54 0.04 -0.68 2.37 3.08 -1.12 -0.19 114.38 117.33 3bjx h ARG 27 Ca -0.05 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3bjx h ARG 27 Cb 0.41 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3bjx h ARG 27 CO 0.08 0.02 0.15 -0.07 -1.07 0.00 0.00 179.97 179.09 3bjx h LEU 28 N 0.04 1.05 -0.02 3.04 3.38 -0.51 -0.79 115.31 121.50 3bjx h LEU 28 Ca 0.17 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 3bjx h LEU 28 Cb 0.24 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.73 3bjx h LEU 28 CO -0.32 1.02 -0.64 0.74 0.09 0.00 0.00 178.44 179.33 3bjx h THR 29 N 1.03 1.40 0.00 0.22 2.02 0.04 -1.82 112.91 115.80 3bjx h THR 29 Ca 0.21 -2.06 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 3bjx h THR 29 Cb 0.39 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3bjx h THR 29 CO 0.01 0.61 -0.18 -0.07 0.37 0.00 0.00 175.52 176.25 3bjx h LEU 30 N -0.01 0.00 -2.26 2.58 3.38 -1.15 -3.45 115.31 114.40 3bjx h LEU 30 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3bjx h LEU 30 Cb 1.33 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.15 3bjx h LEU 30 CO 0.13 0.18 -0.32 0.54 0.09 0.00 0.00 178.44 179.06 3bjx n ARG 31 N -3.17 -1.87 -4.24 1.13 1.74 -0.37 -4.98 116.66 104.89 3bjx n ARG 31 Ca 0.03 0.34 -0.17 0.00 -0.77 0.00 0.00 57.85 57.27 3bjx n ARG 31 Cb 0.56 -3.57 -0.13 0.00 -1.02 0.00 0.00 32.46 28.30 3bjx n ARG 31 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3bjx s VAL 32 N -3.15 0.75 -1.47 1.55 -7.23 -0.81 -4.82 120.40 105.22 3bjx s VAL 32 Ca 0.08 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 3bjx s VAL 32 Cb -0.01 -0.70 0.07 0.00 0.56 0.00 0.00 36.38 36.30 3bjx s VAL 32 CO 0.29 -0.04 0.83 -0.81 -0.31 0.00 0.00 175.10 175.07 3bjx n PRO 33 N 2.17 1.26 -3.59 4.82 -0.04 -1.26 -4.63 135.00 133.73 3bjx n PRO 33 Ca -0.17 -0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 62.85 3bjx n PRO 33 Cb 0.56 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 3bjx n PRO 33 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3bjx s TRP 34 N -1.54 -0.52 -0.21 0.54 -2.14 -1.26 -0.65 118.94 113.16 3bjx s TRP 34 Ca 0.05 0.91 -0.19 0.00 2.66 0.00 0.00 56.10 59.52 3bjx s TRP 34 Cb 0.03 0.31 -0.03 0.00 -3.10 0.00 0.00 33.47 30.69 3bjx s TRP 34 CO 0.02 -0.54 0.55 0.08 -2.66 0.00 0.00 176.95 174.41 3bjx s VAL 35 N -1.17 5.07 0.29 -0.66 1.01 -1.26 -4.80 120.40 118.88 3bjx s VAL 35 Ca -0.11 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3bjx s VAL 35 Cb -0.02 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 3bjx s VAL 35 CO 0.08 0.14 1.40 0.00 0.00 0.00 0.00 175.10 176.72 3bjx n ALA 36 N 5.01 1.47 -0.32 5.51 0.00 -1.26 -4.73 120.51 126.19 3bjx n ALA 36 Ca -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 3bjx n ALA 36 Cb 0.50 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 3bjx n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bjx n PHE 37 N 1.34 -0.14 -0.38 0.00 7.35 -1.26 -0.72 117.46 123.65 3bjx n PHE 37 Ca 0.08 1.01 -0.06 0.00 -0.76 0.00 0.00 57.45 57.72 3bjx n PHE 37 Cb 0.34 -0.70 -0.04 0.00 0.35 0.00 0.00 39.48 39.44 3bjx n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bjx n GLY 38 N -1.31 -2.24 0.35 7.13 0.00 -1.26 -1.37 105.19 106.50 3bjx n GLY 38 Ca 0.05 1.10 -0.03 0.00 0.00 0.00 0.00 46.02 47.15 3bjx n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjx h ARG 40 N 1.18 0.00 0.18 0.00 3.08 0.34 -0.76 114.38 118.40 3bjx h ARG 40 Ca 0.30 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.00 3bjx h ARG 40 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3bjx h ARG 40 CO -0.05 0.19 -1.76 0.28 -1.07 0.00 0.00 179.97 177.57 3bjx h VAL 41 N 0.00 0.91 0.00 2.04 2.07 -1.03 0.82 116.25 121.05 3bjx h VAL 41 Ca -0.00 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 3bjx h VAL 41 Cb 0.39 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3bjx h VAL 41 CO 0.03 0.86 -0.00 -0.07 0.02 0.00 0.00 177.57 178.40 3bjx h LEU 42 N 0.08 0.00 -0.06 2.57 3.38 -0.60 -1.85 115.31 118.83 3bjx h LEU 42 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3bjx h LEU 42 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 3bjx h LEU 42 CO 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.67 3bjx n ALA 43 N -2.11 2.59 0.47 1.53 0.00 -0.33 -3.31 120.51 119.35 3bjx n ALA 43 Ca -0.03 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.35 3bjx n ALA 43 Cb 0.08 -1.46 0.17 0.00 0.00 0.00 0.00 19.45 18.24 3bjx n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bjx h THR 44 N 0.15 0.00 -3.36 0.00 1.35 -1.49 -3.45 112.91 106.11 3bjx h THR 44 Ca 0.00 -0.62 -0.57 0.00 -0.55 0.00 0.00 66.41 64.67 3bjx h THR 44 Cb 0.25 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 3bjx h THR 44 CO 0.00 0.00 0.09 -0.36 -0.25 0.00 0.00 175.52 175.00 3bjx s PHE 45 N -3.20 3.53 0.07 4.73 0.08 -1.21 -5.02 117.98 116.97 3bjx s PHE 45 Ca 0.06 1.16 -0.32 0.00 0.12 0.00 0.00 56.93 57.94 3bjx s PHE 45 Cb 0.12 -2.79 -0.11 0.00 -0.57 0.00 0.00 43.02 39.67 3bjx s PHE 45 CO 0.71 0.03 1.82 -2.30 -0.10 0.00 0.00 175.22 175.39 3bjx n PRO 46 N 4.07 2.57 0.00 0.24 -0.02 -1.26 -3.09 135.00 137.50 3bjx n PRO 46 Ca -0.02 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3bjx n PRO 46 Cb 0.51 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3bjx n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bjx n GLY 47 N 4.17 1.97 0.22 -1.23 0.00 -1.26 -4.86 105.19 104.21 3bjx n GLY 47 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3bjx n GLY 47 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bjx h TYR 48 N 0.00 -0.44 -0.16 1.61 3.20 -1.84 -3.16 116.97 116.18 3bjx h TYR 48 Ca 0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3bjx h TYR 48 Cb 0.00 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3bjx h TYR 48 CO 0.00 -0.13 0.03 1.25 -1.64 0.00 0.00 178.16 177.67 3bjx h LEU 49 N -0.74 0.24 -0.65 2.82 5.85 -1.79 0.38 115.31 121.42 3bjx h LEU 49 Ca -0.05 -0.24 0.14 0.00 0.84 0.00 0.00 57.88 58.57 3bjx h LEU 49 Cb 0.51 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 3bjx h LEU 49 CO 0.08 0.42 0.08 -0.65 -0.34 0.00 0.00 178.44 178.02 3bjx h PRO 50 N 0.05 0.18 0.17 5.25 0.11 -1.94 0.18 132.00 136.00 3bjx h PRO 50 Ca 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3bjx h PRO 50 Cb 0.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3bjx h PRO 50 CO 0.00 0.12 -0.08 1.25 -0.21 0.00 0.00 178.00 179.08 3bjx h LEU 51 N 0.19 -0.19 -0.64 2.35 5.85 -1.43 -1.90 115.31 119.54 3bjx h LEU 51 Ca 0.35 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3bjx h LEU 51 Cb 0.57 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3bjx h LEU 51 CO -0.50 0.14 0.30 0.00 -0.34 0.00 0.00 178.44 178.04 3bjx h ALA 52 N 0.23 0.85 0.60 1.25 0.00 -0.68 -2.22 119.26 119.30 3bjx h ALA 52 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3bjx h ALA 52 Cb 0.41 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3bjx h ALA 52 CO 0.04 -0.09 -0.29 2.35 0.00 0.00 0.00 179.25 181.26 3bjx h TRP 53 N 0.54 -0.75 -0.72 0.00 2.91 -0.65 -2.83 115.95 114.45 3bjx h TRP 53 Ca 0.31 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.42 3bjx h TRP 53 Cb 0.31 0.25 -0.12 0.00 -0.51 0.00 0.00 29.16 29.09 3bjx h TRP 53 CO -0.12 -0.42 -0.28 0.54 -1.03 0.00 0.00 178.44 177.12 3bjx n ARG 54 N -5.39 -0.17 -0.01 2.65 1.74 -0.72 -0.39 116.66 114.37 3bjx n ARG 54 Ca -0.12 1.12 0.13 0.00 -0.77 0.00 0.00 57.85 58.20 3bjx n ARG 54 Cb 0.35 -1.66 0.67 0.00 -1.02 0.00 0.00 32.46 30.80 3bjx n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bjx n ARG 55 N -5.07 1.23 0.00 5.56 1.74 -0.85 -3.66 116.66 115.61 3bjx n ARG 55 Ca 0.07 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3bjx n ARG 55 Cb 0.29 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3bjx n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3bjx n SER 56 N -0.53 1.93 -0.31 0.55 7.64 0.48 -3.55 113.62 119.84 3bjx n SER 56 Ca 0.19 -0.30 -0.04 0.00 1.01 0.00 0.00 58.87 59.73 3bjx n SER 56 Cb 0.17 0.98 0.10 0.00 -1.01 0.00 0.00 64.21 64.45 3bjx n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjx h ALA 57 N 0.00 1.15 -0.03 -0.43 0.00 -0.82 -1.77 119.26 117.37 3bjx h ALA 57 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3bjx h ALA 57 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3bjx h ALA 57 CO 0.00 0.65 -0.76 0.93 0.00 0.00 0.00 179.25 180.08 3bjx h GLU 58 N 1.20 0.21 -0.69 0.00 5.08 -1.86 -1.59 114.58 116.93 3bjx h GLU 58 Ca 0.29 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3bjx h GLU 58 Cb 0.08 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3bjx h GLU 58 CO -0.04 0.87 0.17 0.00 -1.00 0.00 0.00 179.01 179.01 3bjx h ALA 59 N 1.07 0.99 -0.01 3.43 0.00 -1.70 -3.23 119.26 119.82 3bjx h ALA 59 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3bjx h ALA 59 Cb 1.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3bjx h ALA 59 CO 0.12 0.65 -0.07 1.28 0.00 0.00 0.00 179.25 181.24 3bjx n LEU 60 N -4.24 0.72 -0.72 0.00 4.77 -0.69 -3.08 117.00 113.77 3bjx n LEU 60 Ca 0.05 -0.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.94 3bjx n LEU 60 Cb 0.25 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3bjx n LEU 60 CO 0.42 0.13 0.55 0.00 -1.33 0.00 0.00 177.39 177.16 3bjx n ILE 61 N -0.60 0.23 -1.71 -0.08 3.06 -0.63 -4.79 119.36 114.84 3bjx n ILE 61 Ca 0.18 -0.62 -0.31 0.00 -2.50 0.00 0.00 62.75 59.50 3bjx n ILE 61 Cb 0.27 1.15 0.04 0.00 0.54 0.00 0.00 39.64 41.63 3bjx n ILE 61 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3bjx s THR 62 N -1.28 4.07 0.38 9.51 -4.23 -1.18 -0.17 115.64 122.74 3bjx s THR 62 Ca 0.22 0.73 0.12 0.00 -1.18 0.00 0.00 61.69 61.59 3bjx s THR 62 Cb 0.15 -3.45 0.11 0.00 1.34 0.00 0.00 72.50 70.65 3bjx s THR 62 CO 0.21 -0.81 1.86 -0.09 -0.54 0.00 0.00 174.62 175.24 3bjx h ARG 63 N -0.42 0.06 0.00 3.99 2.43 -0.95 -2.40 114.38 117.10 3bjx h ARG 63 Ca -0.44 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 3bjx h ARG 63 Cb 1.21 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3bjx h ARG 63 CO 0.57 0.36 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.28 3bjx h TYR 64 N 0.06 -0.52 -0.87 2.20 3.20 -1.53 -0.85 116.97 118.66 3bjx h TYR 64 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3bjx h TYR 64 Cb 0.57 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 3bjx h TYR 64 CO 0.00 -0.28 0.54 0.00 -1.64 0.00 0.00 178.16 176.78 3bjx h ALA 65 N 0.58 1.31 -0.33 1.82 0.00 -1.70 0.52 119.26 121.46 3bjx h ALA 65 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3bjx h ALA 65 Cb 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bjx h ALA 65 CO -0.18 0.60 0.00 1.49 0.00 0.00 0.00 179.25 181.16 3bjx h GLU 66 N 1.19 0.58 -0.09 0.00 4.57 -1.31 -0.64 114.58 118.88 3bjx h GLU 66 Ca 0.31 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 58.18 3bjx h GLU 66 Cb -0.07 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3bjx h GLU 66 CO -0.06 0.70 -0.55 1.96 -1.18 0.00 0.00 179.01 179.88 3bjx h GLN 67 N 0.38 0.26 0.62 1.92 4.20 -0.57 -0.98 115.11 120.94 3bjx h GLN 67 Ca 0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3bjx h GLN 67 Cb 0.44 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3bjx h GLN 67 CO 0.02 0.74 -0.31 0.00 -0.67 0.00 0.00 178.83 178.61 3bjx h ALA 68 N 1.23 -0.85 -1.00 3.87 0.00 0.14 -1.92 119.26 120.74 3bjx h ALA 68 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 68 Cb 1.03 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 3bjx h ALA 68 CO 0.09 -0.98 0.62 0.00 0.00 0.00 0.00 179.25 178.98 3bjx h ALA 69 N -0.46 1.63 -0.53 0.00 0.00 -1.03 -1.65 119.26 117.22 3bjx h ALA 69 Ca -0.08 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3bjx h ALA 69 Cb 0.65 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3bjx h ALA 69 CO 0.13 0.05 0.24 -0.44 0.00 0.00 0.00 179.25 179.23 3bjx h ASP 70 N 0.85 0.30 -0.32 0.00 3.45 -1.07 -1.73 116.42 117.90 3bjx h ASP 70 Ca 0.54 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 58.03 3bjx h ASP 70 Cb 0.74 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3bjx h ASP 70 CO -0.33 0.20 0.14 -0.08 -1.57 0.00 0.00 179.24 177.61 3bjx h GLU 71 N 0.45 0.47 -0.21 3.56 4.81 -0.50 -2.56 114.58 120.60 3bjx h GLU 71 Ca 0.25 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3bjx h GLU 71 Cb 0.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3bjx h GLU 71 CO -0.21 0.45 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.23 3bjx h LEU 72 N 0.38 0.38 -0.28 1.64 3.38 -1.14 -0.76 115.31 118.92 3bjx h LEU 72 Ca 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3bjx h LEU 72 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bjx h LEU 72 CO -0.01 0.62 0.02 -0.09 0.09 0.00 0.00 178.44 179.07 3bjx h ARG 73 N 0.35 0.48 -0.58 1.13 2.43 -1.30 -3.17 114.38 113.72 3bjx h ARG 73 Ca 0.06 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 3bjx h ARG 73 Cb 0.59 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3bjx h ARG 73 CO 0.04 0.61 0.05 0.93 -1.51 0.00 0.00 179.97 180.09 3bjx h GLU 74 N 0.28 0.96 0.00 0.20 5.08 -1.02 -2.62 114.58 117.47 3bjx h GLU 74 Ca 0.08 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3bjx h GLU 74 Cb 0.38 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3bjx h GLU 74 CO 0.01 0.92 0.00 0.54 -1.00 0.00 0.00 179.01 179.48 3bjx n ARG 75 N -4.21 0.03 0.15 2.33 1.74 -0.33 -3.94 116.66 112.44 3bjx n ARG 75 Ca 0.03 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 3bjx n ARG 75 Cb 0.30 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.46 3bjx n ARG 75 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3bjx h SER 76 N 0.00 0.00 -2.90 0.55 0.02 -1.44 -3.46 113.55 106.33 3bjx h SER 76 Ca 0.00 -0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 3bjx h SER 76 Cb 0.13 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.72 3bjx h SER 76 CO 0.00 0.01 0.90 -0.76 -1.14 0.00 0.00 176.83 175.85 3bjx s LEU 77 N -5.33 4.37 0.09 5.07 1.43 -1.25 -4.74 118.68 118.32 3bjx s LEU 77 Ca 0.07 2.72 -0.18 0.00 -1.03 0.00 0.00 54.13 55.71 3bjx s LEU 77 Cb 0.09 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3bjx s LEU 77 CO 0.67 -0.86 0.56 -0.76 0.23 0.00 0.00 176.35 176.19 3bjx s LEU 78 N 0.81 4.48 -0.91 1.79 1.43 -1.26 -5.03 118.68 120.00 3bjx s LEU 78 Ca 0.69 1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 3bjx s LEU 78 Cb -0.46 -2.97 0.23 0.00 0.03 0.00 0.00 46.19 43.03 3bjx s LEU 78 CO 0.34 0.24 0.85 0.20 0.23 0.00 0.00 176.35 178.21 3bjx s ASN 79 N -1.25 6.74 -0.01 2.29 -0.87 -1.26 -4.80 114.94 115.78 3bjx s ASN 79 Ca 0.31 -3.08 0.17 0.00 -1.57 0.00 0.00 52.86 48.69 3bjx s ASN 79 Cb -0.18 -2.15 -0.22 0.00 -0.02 0.00 0.00 41.25 38.67 3bjx s ASN 79 CO 0.19 -0.43 0.57 0.00 -2.57 0.00 0.00 177.10 174.85 3bjx n ILE 80 N 3.39 0.00 0.00 0.60 3.06 -1.26 -5.11 119.36 120.04 3bjx n ILE 80 Ca 0.17 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 3bjx n ILE 80 Cb 0.43 0.60 0.00 0.00 0.54 0.00 0.00 39.64 41.21 3bjx n ILE 80 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3bjx n GLY 81 N 1.45 0.19 3.77 4.50 0.00 -1.26 -5.04 105.19 108.79 3bjx n GLY 81 Ca 0.00 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 3bjx n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bjx s PRO 82 N 0.00 4.22 0.10 1.61 0.04 -1.26 -5.03 135.00 134.68 3bjx s PRO 82 Ca 0.00 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.88 3bjx s PRO 82 Cb 0.00 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 3bjx s PRO 82 CO 0.00 -0.16 -0.02 -0.51 0.04 0.00 0.00 177.00 176.36 3bjx s LEU 83 N -2.24 3.39 0.16 -3.56 1.43 -1.26 -5.08 118.68 111.51 3bjx s LEU 83 Ca 0.54 -0.22 -0.34 0.00 -1.03 0.00 0.00 54.13 53.08 3bjx s LEU 83 Cb -0.30 -2.13 -0.15 0.00 0.03 0.00 0.00 46.19 43.64 3bjx s LEU 83 CO 0.38 0.17 1.43 -0.81 0.23 0.00 0.00 176.35 177.75 3bjx n PRO 84 N 0.56 1.72 -2.51 1.29 -0.04 -1.26 -4.91 135.00 129.86 3bjx n PRO 84 Ca -0.11 0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 3bjx n PRO 84 Cb 0.52 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 3bjx n PRO 84 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3bjx s ASN 85 N 0.56 6.12 0.30 3.54 3.84 -1.26 -4.71 114.94 123.34 3bjx s ASN 85 Ca 0.78 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 53.51 3bjx s ASN 85 Cb -0.77 -2.56 0.37 0.00 -0.55 0.00 0.00 41.25 37.74 3bjx s ASN 85 CO 0.44 -1.86 1.59 0.25 -2.79 0.00 0.00 177.10 174.73 3bjx h LEU 86 N 13.30 0.00 0.32 3.21 5.85 -1.70 -1.57 115.31 134.73 3bjx h LEU 86 Ca -0.23 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3bjx h LEU 86 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3bjx h LEU 86 CO 1.29 0.52 -0.16 0.50 -0.34 0.00 0.00 178.44 180.25 3bjx h LYS 87 N 0.00 -0.42 0.00 1.25 3.64 -1.79 -1.28 116.57 117.98 3bjx h LYS 87 Ca -0.01 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3bjx h LYS 87 Cb 1.16 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3bjx h LYS 87 CO 0.07 -0.24 -0.19 1.49 -2.27 0.00 0.00 179.45 178.30 3bjx h GLU 88 N -0.49 0.00 -0.07 1.90 4.57 -1.93 -2.09 114.58 116.47 3bjx h GLU 88 Ca -0.04 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 3bjx h GLU 88 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3bjx h GLU 88 CO 0.07 0.19 -0.76 -0.09 -1.18 0.00 0.00 179.01 177.24 3bjx h ARG 89 N 0.00 0.41 -0.02 1.92 9.65 -1.21 -2.31 114.38 122.82 3bjx h ARG 89 Ca -0.00 -0.35 -0.25 0.00 -1.10 0.00 0.00 59.98 58.28 3bjx h ARG 89 Cb 0.73 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.40 3bjx h ARG 89 CO 0.03 1.00 -0.97 -0.07 2.80 0.00 0.00 179.97 182.75 3bjx h LEU 90 N 0.27 0.78 -0.27 3.80 3.38 -0.79 -2.29 115.31 120.19 3bjx h LEU 90 Ca -0.04 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.39 3bjx h LEU 90 Cb 1.35 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3bjx h LEU 90 CO 0.13 1.41 -0.13 1.88 0.09 0.00 0.00 178.44 181.81 3bjx h TYR 91 N 0.36 -0.33 -0.20 1.13 0.05 -1.47 -0.85 116.97 115.67 3bjx h TYR 91 Ca -0.10 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.77 3bjx h TYR 91 Cb 1.61 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 39.53 3bjx h TYR 91 CO 0.09 -0.20 0.26 0.00 -1.05 0.00 0.00 178.16 177.25 3bjx h ALA 92 N 1.12 1.77 -0.16 3.88 0.00 -1.29 -2.08 119.26 122.50 3bjx h ALA 92 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bjx h ALA 92 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3bjx h ALA 92 CO -0.34 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.55 3bjx n ALA 93 N -2.27 2.47 -0.05 0.00 0.00 -0.42 -4.94 120.51 115.31 3bjx n ALA 93 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3bjx n ALA 93 Cb 0.38 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3bjx n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bjx n GLY 94 N 1.35 0.97 3.85 0.00 0.00 -0.78 -5.07 105.19 105.52 3bjx n GLY 94 Ca 0.17 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3bjx n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bjx s PHE 95 N -2.00 3.68 0.45 1.61 0.08 -0.64 -5.02 117.98 116.15 3bjx s PHE 95 Ca 0.00 0.86 0.06 0.00 0.12 0.00 0.00 56.93 57.96 3bjx s PHE 95 Cb 0.00 -2.19 0.08 0.00 -0.57 0.00 0.00 43.02 40.34 3bjx s PHE 95 CO 0.00 0.66 0.62 -0.40 -0.10 0.00 0.00 175.22 176.00 3bjx n ASP 96 N 1.77 1.44 -0.29 1.36 5.68 -1.26 -4.00 116.55 121.24 3bjx n ASP 96 Ca -0.15 -2.07 -0.01 0.00 -0.50 0.00 0.00 54.79 52.06 3bjx n ASP 96 Cb 0.53 -0.35 0.17 0.00 -1.14 0.00 0.00 41.12 40.33 3bjx n ASP 96 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3bjx h ASP 97 N -0.04 1.01 -0.46 -1.12 3.32 -1.99 -2.03 116.42 115.11 3bjx h ASP 97 Ca -0.21 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 3bjx h ASP 97 Cb 0.92 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3bjx h ASP 97 CO 0.28 0.75 0.05 1.23 -1.72 0.00 0.00 179.24 179.84 3bjx h GLY 98 N 1.19 0.91 1.73 2.75 0.00 -1.98 -1.39 103.07 106.28 3bjx h GLY 98 Ca 0.32 -0.58 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 3bjx h GLY 98 CO -0.06 0.54 -1.17 0.83 0.00 0.00 0.00 176.54 176.67 3bjx h GLU 99 N 0.80 0.20 -0.28 4.80 5.08 -1.89 -1.99 114.58 121.29 3bjx h GLU 99 Ca 0.16 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3bjx h GLU 99 Cb 0.40 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3bjx h GLU 99 CO 0.01 1.16 -0.27 0.82 -1.00 0.00 0.00 179.01 179.74 3bjx h ILE 100 N 0.06 1.27 -0.41 3.13 2.04 -1.33 -1.64 117.51 120.63 3bjx h ILE 100 Ca -0.10 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.37 3bjx h ILE 100 Cb 1.91 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 3bjx h ILE 100 CO 0.18 0.43 -0.00 -0.08 0.00 0.00 0.00 178.15 178.68 3bjx h GLU 101 N 0.49 0.65 -0.34 2.37 4.57 -1.16 0.32 114.58 121.48 3bjx h GLU 101 Ca 0.07 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3bjx h GLU 101 Cb 0.72 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3bjx h GLU 101 CO 0.06 0.68 0.02 0.87 -1.18 0.00 0.00 179.01 179.45 3bjx h LYS 102 N 0.62 0.59 -0.04 1.92 1.57 -1.04 -2.01 116.57 118.17 3bjx h LYS 102 Ca 0.13 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3bjx h LYS 102 Cb 0.39 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3bjx h LYS 102 CO 0.01 0.69 0.02 0.28 -0.57 0.00 0.00 179.45 179.89 3bjx h VAL 103 N 0.41 1.10 -0.45 0.50 2.07 -1.07 -2.98 116.25 115.82 3bjx h VAL 103 Ca 0.10 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3bjx h VAL 103 Cb 0.41 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3bjx h VAL 103 CO 0.01 0.08 -0.50 -0.09 0.02 0.00 0.00 177.57 177.09 3bjx h ARG 104 N -0.06 -0.28 -1.16 1.57 2.43 -0.39 -0.39 114.38 116.09 3bjx h ARG 104 Ca 0.01 0.02 0.39 0.00 -0.81 0.00 0.00 59.98 59.60 3bjx h ARG 104 Cb 0.12 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 29.59 3bjx h ARG 104 CO -0.00 -0.19 0.71 0.00 -1.51 0.00 0.00 179.97 178.98 3bjx h ARG 105 N -0.29 0.14 0.02 0.20 3.08 -1.36 0.87 114.38 117.04 3bjx h ARG 105 Ca 0.08 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3bjx h ARG 105 Cb 0.50 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.52 3bjx h ARG 105 CO -0.58 0.09 -0.29 0.28 -1.07 0.00 0.00 179.97 178.41 3bjx h VAL 106 N 0.15 1.59 -0.74 2.04 2.07 -1.16 -2.76 116.25 117.43 3bjx h VAL 106 Ca 0.79 -2.11 0.09 0.00 0.82 0.00 0.00 66.70 66.30 3bjx h VAL 106 Cb 2.22 2.95 -0.07 0.00 -1.52 0.00 0.00 31.29 34.87 3bjx h VAL 106 CO -0.53 0.57 0.38 -0.07 0.02 0.00 0.00 177.57 177.95 3bjx h LEU 107 N -0.57 0.51 -0.39 2.57 3.38 0.23 -1.94 115.31 119.10 3bjx h LEU 107 Ca -0.04 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3bjx h LEU 107 Cb 1.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3bjx h LEU 107 CO 0.06 0.29 -0.53 1.88 0.09 0.00 0.00 178.44 180.22 3bjx h TYR 108 N 0.64 0.95 0.00 1.13 -1.99 -0.98 0.12 116.97 116.84 3bjx h TYR 108 Ca 0.36 -0.33 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3bjx h TYR 108 Cb 0.37 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3bjx h TYR 108 CO -0.10 1.12 -0.18 0.00 -0.00 0.00 0.00 178.16 179.01 3bjx h ALA 109 N 0.81 -0.21 -0.03 3.88 0.00 -1.29 -1.15 119.26 121.27 3bjx h ALA 109 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bjx h ALA 109 Cb 1.12 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3bjx h ALA 109 CO 0.11 -0.67 0.01 0.74 0.00 0.00 0.00 179.25 179.45 3bjx h PHE 110 N -0.29 0.05 -0.90 0.00 0.04 -1.24 -1.60 116.94 113.00 3bjx h PHE 110 Ca 0.05 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.01 3bjx h PHE 110 Cb 0.36 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.38 3bjx h PHE 110 CO -0.23 0.21 0.46 -0.91 -0.60 0.00 0.00 178.31 177.24 3bjx h ASN 111 N -0.12 0.50 0.60 2.17 2.35 -0.70 0.01 115.58 120.38 3bjx h ASN 111 Ca 0.01 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3bjx h ASN 111 Cb 0.18 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.61 3bjx h ASN 111 CO -0.00 0.13 -0.29 0.22 -1.65 0.00 0.00 177.43 175.84 3bjx h TYR 112 N 0.55 -0.74 -0.17 1.19 3.20 -1.03 -3.37 116.97 116.60 3bjx h TYR 112 Ca 0.53 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.29 3bjx h TYR 112 Cb 0.90 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 3bjx h TYR 112 CO -0.09 -0.42 -0.27 0.78 -1.64 0.00 0.00 178.16 176.51 3bjx h GLY 113 N -0.91 0.52 -0.86 1.82 0.00 -0.81 -3.39 103.07 99.45 3bjx h GLY 113 Ca -0.08 -0.59 0.15 0.00 0.00 0.00 0.00 47.33 46.80 3bjx h GLY 113 CO 0.13 0.53 -0.36 3.43 0.00 0.00 0.00 176.54 180.28 3bjx h ASN 114 N 0.11 -1.32 0.67 0.19 2.35 -1.16 0.27 115.58 116.69 3bjx h ASN 114 Ca 0.01 0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3bjx h ASN 114 Cb 0.85 0.70 -0.00 0.00 0.05 0.00 0.00 38.32 39.92 3bjx h ASN 114 CO 0.06 -0.29 -0.08 1.55 -1.65 0.00 0.00 177.43 177.02 3bjx h PRO 115 N -0.04 0.00 -0.23 0.81 0.13 -1.75 -1.81 132.00 129.12 3bjx h PRO 115 Ca 0.33 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.35 3bjx h PRO 115 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3bjx h PRO 115 CO -0.92 0.08 -0.30 0.87 -0.23 0.00 0.00 178.00 177.51 3bjx h LYS 116 N 0.00 0.60 -0.04 0.86 1.57 -0.67 -2.50 116.57 116.40 3bjx h LYS 116 Ca -0.00 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3bjx h LYS 116 Cb 0.44 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3bjx h LYS 116 CO 0.01 0.95 -0.12 1.88 -0.57 0.00 0.00 179.45 181.60 3bjx h TYR 117 N 0.30 0.06 -0.38 -1.35 0.05 -1.12 -1.06 116.97 113.47 3bjx h TYR 117 Ca 0.03 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 3bjx h TYR 117 Cb 0.87 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3bjx h TYR 117 CO 0.08 0.18 -0.11 1.25 -1.05 0.00 0.00 178.16 178.51 3bjx h LEU 118 N 0.05 0.74 -0.67 3.88 5.85 -1.21 -1.28 115.31 122.68 3bjx h LEU 118 Ca 0.01 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 3bjx h LEU 118 Cb 0.25 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3bjx h LEU 118 CO 0.02 0.95 0.11 -0.07 -0.34 0.00 0.00 178.44 179.10 3bjx h LEU 119 N 0.53 1.05 -0.05 2.25 3.38 -1.02 0.26 115.31 121.72 3bjx h LEU 119 Ca 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3bjx h LEU 119 Cb 0.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3bjx h LEU 119 CO 0.04 1.04 0.01 0.25 0.09 0.00 0.00 178.44 179.87 3bjx h LEU 120 N 1.02 0.07 -0.91 1.67 5.85 -1.19 -1.87 115.31 119.96 3bjx h LEU 120 Ca 0.20 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3bjx h LEU 120 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3bjx h LEU 120 CO 0.01 0.31 -0.46 0.40 -0.34 0.00 0.00 178.44 178.36 3bjx h ILE 121 N -0.17 1.33 -0.30 4.05 1.08 -1.21 -1.27 117.51 121.02 3bjx h ILE 121 Ca 0.01 -1.64 -0.03 0.00 -0.39 0.00 0.00 64.86 62.81 3bjx h ILE 121 Cb 0.27 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 3bjx h ILE 121 CO 0.00 0.48 0.06 0.74 -0.69 0.00 0.00 178.15 178.74 3bjx h THR 122 N 0.15 1.23 -0.50 -0.27 2.02 -0.95 0.64 112.91 115.24 3bjx h THR 122 Ca 0.01 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.46 3bjx h THR 122 Cb 0.88 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3bjx h THR 122 CO 0.07 0.25 0.24 0.00 0.37 0.00 0.00 175.52 176.45 3bjx h ALA 123 N 0.89 0.63 -0.73 6.16 0.00 -1.25 0.09 119.26 125.04 3bjx h ALA 123 Ca 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3bjx h ALA 123 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3bjx h ALA 123 CO 0.00 -0.12 0.23 -0.07 0.00 0.00 0.00 179.25 179.30 3bjx h LEU 124 N 0.47 1.05 0.30 0.00 3.38 -1.11 -2.23 115.31 117.17 3bjx h LEU 124 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3bjx h LEU 124 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3bjx h LEU 124 CO -0.17 0.97 -0.14 -1.28 0.09 0.00 0.00 178.44 177.91 3bjx h SER 125 N 1.08 -0.34 -0.24 -0.43 0.87 -0.36 -3.28 113.55 110.84 3bjx h SER 125 Ca 0.24 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3bjx h SER 125 Cb 0.29 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3bjx h SER 125 CO -0.01 -0.01 0.15 -0.33 -0.53 0.00 0.00 176.83 176.10 3bjx h GLU 126 N -0.71 0.33 -1.95 2.24 4.39 -1.03 -1.50 114.58 116.35 3bjx h GLU 126 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bjx h GLU 126 Cb 0.48 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3bjx h GLU 126 CO 0.07 0.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.05 3bjx n SER 127 N -4.89 0.49 0.00 1.42 3.41 -0.84 -2.04 113.62 111.17 3bjx n SER 127 Ca -0.03 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3bjx n SER 127 Cb 0.05 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3bjx n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bjx n GLN 129 N 1.49 0.00 0.00 4.33 6.02 -0.57 -2.63 117.38 126.01 3bjx n GLN 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bjx n GLN 129 Cb 0.06 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.32 3bjx n GLN 129 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3bjx n ARG 131 N 0.00 0.00 -2.32 -1.09 0.63 -0.87 -5.05 116.66 107.97 3bjx n ARG 131 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 3bjx n ARG 131 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 3bjx n ARG 131 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3bjx s PRO 132 N -3.83 4.42 -0.05 -0.14 0.02 -1.26 -4.89 135.00 129.27 3bjx s PRO 132 Ca 0.00 1.95 0.01 0.00 0.02 0.00 0.00 61.00 62.98 3bjx s PRO 132 Cb 0.00 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.50 3bjx s PRO 132 CO 0.00 -0.04 -0.07 0.08 -0.33 0.00 0.00 177.00 176.64 3bjx s VAL 133 N -1.21 0.77 0.00 3.83 1.01 -1.26 -4.61 120.40 118.92 3bjx s VAL 133 Ca 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3bjx s VAL 133 Cb -0.34 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3bjx s VAL 133 CO 0.44 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3bjx n GLY 134 N 4.01 -0.57 2.34 4.51 0.00 -0.71 -4.43 105.19 110.34 3bjx n GLY 134 Ca -0.23 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3bjx n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjx n GLY 135 N 0.00 0.14 3.99 -0.02 0.00 0.21 -4.73 105.19 104.78 3bjx n GLY 135 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 3bjx n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjx s ALA 136 N -2.85 4.18 -0.31 4.61 0.00 -0.93 -4.95 121.76 121.51 3bjx s ALA 136 Ca 0.15 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 3bjx s ALA 136 Cb -0.07 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.21 3bjx s ALA 136 CO 0.19 -0.47 1.06 -1.21 0.00 0.00 0.00 175.76 175.33 3bjx s GLU 137 N -4.53 4.08 -0.04 0.00 0.41 -1.26 -4.69 118.70 112.68 3bjx s GLU 137 Ca 0.55 1.08 0.02 0.00 -0.41 0.00 0.00 54.97 56.21 3bjx s GLU 137 Cb -0.10 -3.73 0.01 0.00 -1.78 0.00 0.00 34.13 28.54 3bjx s GLU 137 CO 0.35 -0.87 -0.07 0.08 -0.49 0.00 0.00 175.26 174.27 3bjx s VAL 138 N 3.58 0.69 0.37 2.63 1.01 -1.26 -5.07 120.40 122.36 3bjx s VAL 138 Ca 0.45 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 3bjx s VAL 138 Cb -0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 36.38 35.48 3bjx s VAL 138 CO 0.14 0.24 1.48 -1.54 0.00 0.00 0.00 175.10 175.42 3bjx n SER 139 N 3.68 3.71 -0.35 3.32 3.41 -1.26 -4.74 113.62 121.39 3bjx n SER 139 Ca -0.22 1.22 0.25 0.00 -0.26 0.00 0.00 58.87 59.86 3bjx n SER 139 Cb 0.53 -1.61 0.51 0.00 -0.26 0.00 0.00 64.21 63.38 3bjx n SER 139 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3bjx h SER 140 N 2.98 0.45 -0.81 4.04 4.64 -2.00 0.29 113.55 123.14 3bjx h SER 140 Ca -0.50 0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3bjx h SER 140 Cb 1.25 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 3bjx h SER 140 CO 0.64 -0.01 0.49 -0.33 -0.87 0.00 0.00 176.83 176.76 3bjx h GLU 141 N 0.35 0.87 0.00 4.77 3.07 -1.97 -2.98 114.58 118.68 3bjx h GLU 141 Ca 0.67 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 3bjx h GLU 141 Cb 1.71 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 3bjx h GLU 141 CO -0.41 0.58 -0.48 1.28 -1.40 0.00 0.00 179.01 178.58 3bjx n LEU 142 N -4.66 0.48 -0.09 1.33 4.77 0.93 -3.20 117.00 116.56 3bjx n LEU 142 Ca 0.11 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3bjx n LEU 142 Cb 0.17 -0.26 0.43 0.00 -2.33 0.00 0.00 43.42 41.43 3bjx n LEU 142 CO 0.31 0.11 0.69 0.54 -1.33 0.00 0.00 177.39 177.70 3bjx n ARG 143 N -1.53 0.39 -2.15 3.23 1.74 -0.66 -1.42 116.66 116.26 3bjx n ARG 143 Ca 0.05 -0.18 -0.43 0.00 -0.77 0.00 0.00 57.85 56.52 3bjx n ARG 143 Cb 0.34 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3bjx n ARG 143 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bjx s ALA 144 N -2.74 3.52 1.03 7.54 0.00 -1.14 -4.71 121.76 125.27 3bjx s ALA 144 Ca 0.19 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 3bjx s ALA 144 Cb 0.19 -3.75 0.21 0.00 0.00 0.00 0.00 23.12 19.77 3bjx s ALA 144 CO 0.57 -1.51 1.08 -1.54 0.00 0.00 0.00 175.76 174.36 3bjx s SER 145 N 3.25 2.17 0.32 0.00 1.04 -1.26 -1.27 113.70 117.95 3bjx s SER 145 Ca 0.68 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.84 3bjx s SER 145 Cb -0.28 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 3bjx s SER 145 CO 0.26 -3.48 0.21 0.27 0.98 0.00 0.00 173.24 171.48 3bjx s ILE 146 N -2.66 3.46 0.33 -1.02 -4.36 0.76 -4.74 121.20 112.98 3bjx s ILE 146 Ca 0.67 -1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 59.25 3bjx s ILE 146 Cb -0.22 -3.12 -0.10 0.00 1.25 0.00 0.00 42.46 40.26 3bjx s ILE 146 CO 0.61 -0.21 1.33 -2.16 0.24 0.00 0.00 174.94 174.74 3bjx s PRO 147 N -3.91 4.33 0.49 0.37 0.04 -1.26 -4.99 135.00 130.07 3bjx s PRO 147 Ca 0.38 2.25 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 3bjx s PRO 147 Cb -0.05 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 3bjx s PRO 147 CO 0.25 -0.23 0.94 0.21 0.04 0.00 0.00 177.00 178.21 3bjx s LYS 148 N -1.73 3.91 0.00 4.56 2.20 -1.26 -4.97 119.74 122.46 3bjx s LYS 148 Ca 0.50 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 3bjx s LYS 148 Cb -0.40 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3bjx s LYS 148 CO 0.53 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 3bjx n GLY 149 N -1.52 1.66 3.73 5.54 0.00 -0.69 -5.02 105.19 108.89 3bjx n GLY 149 Ca 0.06 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 3bjx n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bjx s HIS 150 N -2.38 3.84 1.18 1.61 3.76 -1.26 -4.68 115.29 117.36 3bjx s HIS 150 Ca 0.00 1.82 -0.18 0.00 -0.15 0.00 0.00 55.06 56.55 3bjx s HIS 150 Cb 0.00 -3.05 0.28 0.00 1.11 0.00 0.00 32.58 30.92 3bjx s HIS 150 CO 0.00 0.24 1.08 -1.25 -0.85 0.00 0.00 174.74 173.95 3bjx s PRO 151 N -0.17 -1.07 0.47 8.40 0.04 -1.26 -5.04 135.00 136.37 3bjx s PRO 151 Ca 0.46 0.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.48 3bjx s PRO 151 Cb -0.24 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 3bjx s PRO 151 CO 0.30 -3.66 0.96 0.15 0.04 0.00 0.00 177.00 174.80 3bjx s LYS 152 N -5.18 4.07 0.00 4.56 1.02 -1.26 -4.85 119.74 118.10 3bjx s LYS 152 Ca 0.69 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.69 3bjx s LYS 152 Cb -0.14 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3bjx s LYS 152 CO 0.57 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 3bjx n GLY 153 N -1.15 0.56 3.36 -3.33 0.00 -1.26 -5.05 105.19 98.32 3bjx n GLY 153 Ca 0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3bjx n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bjx s ASP 155 N -2.71 3.31 0.33 1.61 1.01 -1.26 -4.99 116.67 113.97 3bjx s ASP 155 Ca 0.00 -0.49 0.26 0.00 0.71 0.00 0.00 52.55 53.03 3bjx s ASP 155 Cb 0.00 -0.41 0.90 0.00 1.01 0.00 0.00 42.92 44.42 3bjx s ASP 155 CO 0.00 0.28 1.77 1.55 0.21 0.00 0.00 175.17 178.98 3bjx h PRO 156 N 5.01 0.00 -2.29 8.23 0.13 -1.95 -3.40 132.00 137.74 3bjx h PRO 156 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3bjx h PRO 156 Cb 1.14 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 3bjx h PRO 156 CO 0.46 0.00 -0.25 -1.17 -0.23 0.00 0.00 178.00 176.81 3bjx s LEU 157 N -5.13 -0.84 0.30 1.56 2.96 -1.26 -4.53 118.68 111.75 3bjx s LEU 157 Ca 0.06 1.25 -0.26 0.00 -0.22 0.00 0.00 54.13 54.96 3bjx s LEU 157 Cb 0.09 1.79 -0.10 0.00 0.50 0.00 0.00 46.19 48.48 3bjx s LEU 157 CO 0.53 -0.23 0.92 -0.76 -1.32 0.00 0.00 176.35 175.50 3bjx s LEU 158 N 2.62 4.38 -0.01 -0.68 1.43 0.18 -5.03 118.68 121.57 3bjx s LEU 158 Ca -0.04 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 3bjx s LEU 158 Cb -0.11 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3bjx s LEU 158 CO -0.16 -0.03 1.39 -2.16 0.23 0.00 0.00 176.35 175.62 3bjx s PRO 159 N -1.94 4.28 -0.14 1.29 0.04 -1.26 -4.97 135.00 132.31 3bjx s PRO 159 Ca 0.48 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.49 3bjx s PRO 159 Cb -0.19 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.78 3bjx s PRO 159 CO 0.24 -0.57 -0.21 -0.51 0.04 0.00 0.00 177.00 175.99 3bjx s LEU 160 N 2.42 2.05 0.24 -3.56 1.43 -1.26 -4.27 118.68 115.73 3bjx s LEU 160 Ca 0.63 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3bjx s LEU 160 Cb -0.31 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 3bjx s LEU 160 CO 0.26 0.06 1.28 -0.69 0.23 0.00 0.00 176.35 177.49 3bjx s VAL 161 N 0.87 3.13 -0.40 -1.59 1.01 -0.79 -4.95 120.40 117.70 3bjx s VAL 161 Ca -0.06 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 3bjx s VAL 161 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3bjx s VAL 161 CO -0.03 0.19 0.49 -0.62 0.00 0.00 0.00 175.10 175.13 3bjx s ASP 162 N -0.04 6.25 0.39 3.32 -1.08 -1.26 -4.83 116.67 119.42 3bjx s ASP 162 Ca 0.53 -0.39 0.11 0.00 -0.52 0.00 0.00 52.55 52.28 3bjx s ASP 162 Cb -0.37 -2.25 0.91 0.00 -1.46 0.00 0.00 42.92 39.76 3bjx s ASP 162 CO 0.42 -0.56 1.92 0.00 0.52 0.00 0.00 175.17 177.47 3bjx h ALA 163 N 8.66 1.93 0.00 3.66 0.00 -1.93 -2.57 119.26 129.00 3bjx h ALA 163 Ca -0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3bjx h ALA 163 Cb 1.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3bjx h ALA 163 CO 0.80 -0.12 -0.13 1.79 0.00 0.00 0.00 179.25 181.59 3bjx h THR 164 N 0.57 0.62 -0.01 0.00 1.35 -1.93 -2.85 112.91 110.66 3bjx h THR 164 Ca 0.37 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3bjx h THR 164 Cb 0.64 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3bjx h THR 164 CO -0.13 0.13 -0.50 0.29 -0.25 0.00 0.00 175.52 175.05 3bjx n LYS 165 N -3.70 1.43 -1.71 4.72 5.02 -0.99 -5.06 118.16 117.88 3bjx n LYS 165 Ca -0.02 -0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 55.31 3bjx n LYS 165 Cb 0.24 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3bjx n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bjx s ALA 166 N -2.26 2.86 0.79 7.82 0.00 -1.08 -5.05 121.76 124.84 3bjx s ALA 166 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 3bjx s ALA 166 Cb 0.14 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.21 3bjx s ALA 166 CO 0.53 -1.00 1.15 -1.54 0.00 0.00 0.00 175.76 174.90 3bjx s SER 167 N -3.98 3.98 0.34 0.00 1.04 -1.26 -4.71 113.70 109.11 3bjx s SER 167 Ca 0.57 2.12 0.13 0.00 0.48 0.00 0.00 55.95 59.25 3bjx s SER 167 Cb -0.13 -2.56 1.06 0.00 0.10 0.00 0.00 66.02 64.49 3bjx s SER 167 CO 0.54 -2.39 1.64 0.74 0.98 0.00 0.00 173.24 174.75 3bjx h THR 168 N -0.96 0.25 0.53 2.02 2.02 -1.98 0.98 112.91 115.76 3bjx h THR 168 Ca -0.45 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3bjx h THR 168 Cb 1.26 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3bjx h THR 168 CO 0.48 0.04 -0.25 -0.08 0.37 0.00 0.00 175.52 176.08 3bjx h GLU 169 N 0.25 -0.68 -0.65 6.66 4.81 -1.99 0.12 114.58 123.10 3bjx h GLU 169 Ca 0.72 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.94 3bjx h GLU 169 Cb 1.66 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 31.16 3bjx h GLU 169 CO -0.65 -0.44 0.19 0.28 -0.73 0.00 0.00 179.01 177.66 3bjx h VAL 170 N -0.74 1.25 -0.90 0.32 2.07 -1.79 -1.61 116.25 114.85 3bjx h VAL 170 Ca -0.07 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3bjx h VAL 170 Cb 0.56 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3bjx h VAL 170 CO 0.12 0.34 0.52 1.56 0.02 0.00 0.00 177.57 180.12 3bjx h GLN 171 N 0.95 1.23 -0.24 1.57 4.20 -0.72 -1.77 115.11 120.32 3bjx h GLN 171 Ca 0.21 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3bjx h GLN 171 Cb 0.31 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3bjx h GLN 171 CO -0.00 0.88 -0.08 0.78 -0.67 0.00 0.00 178.83 179.74 3bjx h GLY 172 N 1.25 0.53 1.29 3.46 0.00 -0.56 -2.60 103.07 106.43 3bjx h GLY 172 Ca 0.32 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3bjx h GLY 172 CO -0.06 0.41 0.13 1.41 0.00 0.00 0.00 176.54 178.43 3bjx h LEU 173 N 0.22 0.83 -0.19 3.11 3.38 -1.09 -1.62 115.31 119.95 3bjx h LEU 173 Ca 0.06 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 3bjx h LEU 173 Cb 0.56 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3bjx h LEU 173 CO 0.03 0.82 -0.90 -0.07 0.09 0.00 0.00 178.44 178.41 3bjx h LEU 174 N 0.85 0.62 -0.42 1.67 3.38 -1.34 -2.64 115.31 117.44 3bjx h LEU 174 Ca 0.18 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3bjx h LEU 174 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3bjx h LEU 174 CO 0.00 1.26 0.15 0.50 0.09 0.00 0.00 178.44 180.44 3bjx h LYS 175 N 0.30 0.63 0.07 1.13 1.63 -1.40 -1.66 116.57 117.28 3bjx h LYS 175 Ca -0.07 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.61 3bjx h LYS 175 Cb 1.53 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 33.04 3bjx h LYS 175 CO 0.16 0.61 -0.10 0.00 -3.45 0.00 0.00 179.45 176.67 3bjx h ARG 176 N 0.53 -0.20 -0.33 1.90 3.08 -1.28 0.50 114.38 118.59 3bjx h ARG 176 Ca 0.14 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3bjx h ARG 176 Cb 0.22 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3bjx h ARG 176 CO -0.01 -0.13 -0.02 -0.24 -1.07 0.00 0.00 179.97 178.50 3bjx h VAL 177 N -0.21 1.20 -0.16 2.04 3.04 -1.54 0.20 116.25 120.82 3bjx h VAL 177 Ca 0.01 -0.80 -0.04 0.00 -1.01 0.00 0.00 66.70 64.86 3bjx h VAL 177 Cb 0.21 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3bjx h VAL 177 CO -0.05 0.27 -0.07 0.00 -1.01 0.00 0.00 177.57 176.71 3bjx h ALA 178 N 1.50 0.23 -0.41 3.17 0.00 -0.66 -3.15 119.26 119.94 3bjx h ALA 178 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3bjx h ALA 178 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3bjx h ALA 178 CO 0.01 0.03 0.14 -0.44 0.00 0.00 0.00 179.25 178.99 3bjx h ASP 179 N 0.02 0.53 -0.80 0.00 3.32 0.16 0.91 116.42 120.55 3bjx h ASP 179 Ca 0.04 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.15 3bjx h ASP 179 Cb 0.54 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.87 3bjx h ASP 179 CO 0.02 0.51 0.41 0.25 -1.72 0.00 0.00 179.24 178.71 3bjx h LEU 180 N 0.58 0.52 -1.05 1.55 5.85 -0.57 -1.62 115.31 120.56 3bjx h LEU 180 Ca 0.14 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3bjx h LEU 180 Cb 0.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3bjx h LEU 180 CO -0.01 0.25 0.00 1.41 -0.34 0.00 0.00 178.44 179.75 3bjx n HIS 181 N -4.85 0.03 -3.58 1.25 8.25 -1.02 -4.73 115.22 110.56 3bjx n HIS 181 Ca 0.15 -0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 3bjx n HIS 181 Cb 0.36 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.48 3bjx n HIS 181 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3bjx n TYR 182 N 0.28 -2.26 -4.30 4.41 4.01 -0.61 -4.97 117.16 113.71 3bjx n TYR 182 Ca 0.18 0.82 -0.24 0.00 -0.16 0.00 0.00 57.90 58.51 3bjx n TYR 182 Cb 0.37 -3.26 -0.08 0.00 -0.31 0.00 0.00 39.34 36.06 3bjx n TYR 182 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3bjx s HIS 183 N -3.09 2.60 -0.86 -0.72 3.76 0.28 -5.01 115.29 112.26 3bjx s HIS 183 Ca 0.10 -0.32 0.26 0.00 -0.15 0.00 0.00 55.06 54.95 3bjx s HIS 183 Cb -0.04 -1.32 0.65 0.00 1.11 0.00 0.00 32.58 32.99 3bjx s HIS 183 CO 0.85 0.55 1.54 -2.39 -0.85 0.00 0.00 174.74 174.45 3bjx n HIS 184 N -0.91 0.28 -3.61 1.40 1.44 -1.26 -4.50 115.22 108.06 3bjx n HIS 184 Ca -0.05 0.08 -0.01 0.00 -2.01 0.00 0.00 57.72 55.73 3bjx n HIS 184 Cb 0.60 -0.51 -0.01 0.00 0.12 0.00 0.00 29.99 30.19 3bjx n HIS 184 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3bjx s GLY 185 N -3.27 -0.35 0.38 -1.39 0.00 -1.26 -4.79 107.32 96.64 3bjx s GLY 185 Ca 0.10 1.27 -0.24 0.00 0.00 0.00 0.00 44.72 45.85 3bjx s GLY 185 CO 0.66 0.36 0.98 2.56 0.00 0.00 0.00 173.10 177.66 3bjx s PRO 186 N -2.26 4.33 0.70 2.90 0.04 -1.26 -4.84 135.00 134.61 3bjx s PRO 186 Ca 0.12 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 3bjx s PRO 186 Cb 0.02 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 32.05 3bjx s PRO 186 CO -0.04 0.04 1.19 0.00 0.04 0.00 0.00 177.00 178.23 3bjx s ALA 187 N -1.78 2.23 0.40 8.56 0.00 -1.26 -4.87 121.76 125.04 3bjx s ALA 187 Ca 0.56 0.85 0.12 0.00 0.00 0.00 0.00 51.96 53.49 3bjx s ALA 187 Cb -0.17 -3.45 0.94 0.00 0.00 0.00 0.00 23.12 20.44 3bjx s ALA 187 CO 0.22 -1.69 1.93 0.77 0.00 0.00 0.00 175.76 176.99 3bjx h SER 188 N -0.07 0.49 -0.86 0.00 0.02 -1.98 -1.46 113.55 109.69 3bjx h SER 188 Ca -0.48 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 60.68 3bjx h SER 188 Cb 1.29 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 3bjx h SER 188 CO 0.51 0.27 0.39 0.44 -1.14 0.00 0.00 176.83 177.31 3bjx h ASP 189 N 0.53 0.38 0.63 3.07 5.19 -1.99 0.34 116.42 124.57 3bjx h ASP 189 Ca 0.36 0.13 -0.27 0.00 -0.62 0.00 0.00 57.03 56.63 3bjx h ASP 189 Cb 0.66 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 3bjx h ASP 189 CO -0.13 0.08 -1.40 -0.26 -3.12 0.00 0.00 179.24 174.41 3bjx h PHE 190 N 0.47 0.23 -0.92 4.55 0.04 -1.66 -2.23 116.94 117.42 3bjx h PHE 190 Ca 0.51 -0.17 0.05 0.00 2.80 0.00 0.00 57.97 61.16 3bjx h PHE 190 Cb 0.88 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.96 3bjx h PHE 190 CO -0.13 1.19 0.59 1.96 -0.60 0.00 0.00 178.31 181.32 3bjx h GLN 191 N 0.03 1.07 -0.33 1.51 4.20 -0.49 0.36 115.11 121.47 3bjx h GLN 191 Ca -0.18 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 3bjx h GLN 191 Cb 1.94 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 3bjx h GLN 191 CO 0.14 0.71 -0.26 0.00 -0.67 0.00 0.00 178.83 178.74 3bjx h ALA 192 N 1.41 0.48 0.00 3.87 0.00 -0.38 -2.07 119.26 122.57 3bjx h ALA 192 Ca 0.39 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 192 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bjx h ALA 192 CO -0.15 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.43 3bjx h LEU 193 N 0.53 0.00 -2.21 0.00 3.38 -1.27 -2.93 115.31 112.81 3bjx h LEU 193 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bjx h LEU 193 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3bjx h LEU 193 CO 0.07 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3bjx h ALA 194 N 1.93 1.00 0.00 1.53 0.00 -0.85 -0.40 119.26 122.48 3bjx h ALA 194 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bjx h ALA 194 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3bjx h ALA 194 CO 0.01 0.00 -0.02 -0.91 0.00 0.00 0.00 179.25 178.33 3bjx h ASN 195 N 0.00 0.00 -3.34 0.00 2.35 -1.63 -3.12 115.58 109.83 3bjx h ASN 195 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 3bjx h ASN 195 Cb 0.07 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.05 3bjx h ASN 195 CO 0.00 0.02 -0.37 0.26 -1.65 0.00 0.00 177.43 175.69 3bjx s TRP 196 N -4.93 3.67 0.33 1.19 0.51 -0.16 -4.99 118.94 114.56 3bjx s TRP 196 Ca -0.05 -3.17 0.12 0.00 -2.12 0.00 0.00 56.10 50.87 3bjx s TRP 196 Cb 0.16 -2.96 1.02 0.00 -0.81 0.00 0.00 33.47 30.89 3bjx s TRP 196 CO 0.65 -0.65 1.62 -1.35 -0.51 0.00 0.00 176.95 176.71 3bjx h PRO 197 N 5.80 0.16 -0.94 4.98 0.11 -1.70 0.23 132.00 140.63 3bjx h PRO 197 Ca 0.13 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.30 3bjx h PRO 197 Cb 0.80 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 3bjx h PRO 197 CO 0.77 0.10 0.61 -0.22 -0.21 0.00 0.00 178.00 179.05 3bjx h LYS 198 N 0.16 1.02 0.13 1.05 1.63 -1.92 -1.87 116.57 116.78 3bjx h LYS 198 Ca 0.70 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.44 3bjx h LYS 198 Cb 1.64 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 3bjx h LYS 198 CO -0.71 0.68 -0.06 0.28 -3.45 0.00 0.00 179.45 176.18 3bjx h VAL 199 N 1.05 1.01 -0.94 2.00 2.07 -0.84 -1.35 116.25 119.25 3bjx h VAL 199 Ca 0.42 -0.64 0.20 0.00 0.82 0.00 0.00 66.70 67.49 3bjx h VAL 199 Cb 0.24 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3bjx h VAL 199 CO -0.17 0.15 0.61 0.25 0.02 0.00 0.00 177.57 178.43 3bjx h LEU 200 N -0.49 0.53 0.01 2.57 5.85 -1.27 0.90 115.31 123.41 3bjx h LEU 200 Ca -0.02 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3bjx h LEU 200 Cb 0.39 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3bjx h LEU 200 CO 0.03 0.21 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.53 3bjx h GLN 201 N 0.53 0.12 -0.32 1.25 4.15 -1.11 -1.77 115.11 117.94 3bjx h GLN 201 Ca 0.50 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.85 3bjx h GLN 201 Cb 1.08 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 3bjx h GLN 201 CO -0.23 0.92 -0.14 0.82 -1.93 0.00 0.00 178.83 178.27 3bjx h ILE 202 N -0.62 0.55 -0.61 2.39 2.04 -0.99 0.14 117.51 120.40 3bjx h ILE 202 Ca -0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3bjx h ILE 202 Cb 1.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3bjx h ILE 202 CO 0.04 0.00 0.02 -0.37 0.00 0.00 0.00 178.15 177.84 3bjx h VAL 203 N -0.09 1.26 0.34 1.67 -1.51 -0.85 0.83 116.25 117.90 3bjx h VAL 203 Ca 0.17 -1.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 3bjx h VAL 203 Cb 0.34 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3bjx h VAL 203 CO -0.38 0.41 -0.16 0.74 -1.23 0.00 0.00 177.57 176.95 3bjx h THR 204 N 0.97 0.60 -0.00 7.19 2.02 -1.15 -0.62 112.91 121.92 3bjx h THR 204 Ca 0.18 -0.64 -0.23 0.00 0.77 0.00 0.00 66.41 66.48 3bjx h THR 204 Cb 0.53 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3bjx h THR 204 CO 0.03 0.11 -0.96 0.44 0.37 0.00 0.00 175.52 175.51 3bjx h ASP 205 N -0.85 0.59 0.00 4.18 3.32 -0.75 -1.00 116.42 121.91 3bjx h ASP 205 Ca -0.05 -0.48 -0.39 0.00 0.02 0.00 0.00 57.03 56.14 3bjx h ASP 205 Cb 0.53 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.83 3bjx h ASP 205 CO 0.08 1.27 -2.46 -0.62 -1.72 0.00 0.00 179.24 175.79 3bjx n GLU 206 N -3.76 0.64 -0.08 3.56 1.02 0.27 -4.32 120.64 117.97 3bjx n GLU 206 Ca -0.07 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 3bjx n GLU 206 Cb 0.84 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.68 3bjx n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bjx h VAL 207 N 0.00 0.58 0.00 2.62 2.07 -1.34 -3.43 116.25 116.75 3bjx h VAL 207 Ca -0.57 -1.63 -0.25 0.00 0.82 0.00 0.00 66.70 65.06 3bjx h VAL 207 Cb 1.89 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 3bjx h VAL 207 CO -0.09 0.20 -1.56 -0.07 0.02 0.00 0.00 177.57 176.07 3bjx h LEU 208 N -1.00 0.00 -0.77 2.57 3.38 -1.22 -3.38 115.31 114.90 3bjx h LEU 208 Ca -0.14 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3bjx h LEU 208 Cb 0.82 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 3bjx h LEU 208 CO -0.08 0.90 0.21 0.00 0.09 0.00 0.00 178.44 179.55 3bjx h ALA 209 N 1.10 1.03 -0.31 1.53 0.00 -1.36 0.21 119.26 121.46 3bjx h ALA 209 Ca -0.23 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3bjx h ALA 209 Cb 1.89 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3bjx h ALA 209 CO 0.08 -0.34 0.00 -0.35 0.00 0.00 0.00 179.25 178.63 3bjx n PRO 210 N -5.15 2.13 0.00 0.00 -0.04 -1.26 -4.41 135.00 126.28 3bjx n PRO 210 Ca 0.16 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 3bjx n PRO 210 Cb 0.49 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3bjx n PRO 210 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bjx n VAL 211 N 0.42 0.00 -2.43 0.52 0.31 -0.49 -4.92 118.33 111.73 3bjx n VAL 211 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 3bjx n VAL 211 Cb 0.42 -0.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 3bjx n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bjx s ALA 212 N -1.67 3.41 0.00 3.52 0.00 0.61 -3.04 121.76 124.60 3bjx s ALA 212 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3bjx s ALA 212 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3bjx s ALA 212 CO 0.00 -0.29 0.00 0.54 0.00 0.00 0.00 175.76 176.01 3bjx n ARG 213 N 2.15 -0.73 -1.67 0.00 5.12 -1.26 -4.97 116.66 115.30 3bjx n ARG 213 Ca 0.03 0.18 -0.32 0.00 -1.93 0.00 0.00 57.85 55.81 3bjx n ARG 213 Cb 0.45 -3.77 0.04 0.00 -1.16 0.00 0.00 32.46 28.02 3bjx n ARG 213 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bjx s THR 214 N -1.72 3.85 0.31 0.55 -4.23 -1.17 -4.83 115.64 108.39 3bjx s THR 214 Ca 0.00 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 3bjx s THR 214 Cb 0.00 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.83 3bjx s THR 214 CO 0.00 -0.70 1.66 -0.33 -0.54 0.00 0.00 174.62 174.71 3bjx h GLU 215 N -0.42 0.28 0.11 3.99 5.08 -1.95 -0.83 114.58 120.84 3bjx h GLU 215 Ca -0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 3bjx h GLU 215 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3bjx h GLU 215 CO 0.56 0.18 -0.05 0.37 -1.00 0.00 0.00 179.01 179.07 3bjx h GLN 216 N 0.29 -0.14 -0.48 2.33 4.15 -1.92 -1.52 115.11 117.82 3bjx h GLN 216 Ca 0.61 0.01 0.09 0.00 0.77 0.00 0.00 58.65 60.13 3bjx h GLN 216 Cb 1.27 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.91 3bjx h GLN 216 CO -0.62 0.06 -0.03 -0.92 -1.93 0.00 0.00 178.83 175.39 3bjx h TYR 217 N -0.32 -0.08 -0.42 3.99 3.20 -1.64 -0.52 116.97 121.17 3bjx h TYR 217 Ca -0.02 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3bjx h TYR 217 Cb 0.27 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3bjx h TYR 217 CO -0.01 -0.13 0.19 -0.44 -1.64 0.00 0.00 178.16 176.12 3bjx h ASP 218 N 0.08 0.55 -0.78 -2.11 3.32 -1.11 0.26 116.42 116.64 3bjx h ASP 218 Ca 0.24 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3bjx h ASP 218 Cb 0.36 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3bjx h ASP 218 CO -0.42 0.54 0.32 0.00 -1.72 0.00 0.00 179.24 177.96 3bjx h ALA 219 N 1.04 1.01 -0.63 3.45 0.00 -1.03 0.25 119.26 123.36 3bjx h ALA 219 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3bjx h ALA 219 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3bjx h ALA 219 CO -0.02 0.63 0.21 -0.22 0.00 0.00 0.00 179.25 179.86 3bjx h LYS 220 N 1.13 0.97 -0.24 0.00 1.63 -0.91 -0.90 116.57 118.25 3bjx h LYS 220 Ca 0.26 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3bjx h LYS 220 Cb 0.20 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3bjx h LYS 220 CO -0.02 0.85 0.09 1.03 -3.45 0.00 0.00 179.45 177.95 3bjx h SER 221 N 0.90 0.34 -0.15 4.20 0.87 -0.06 -2.41 113.55 117.24 3bjx h SER 221 Ca 0.21 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3bjx h SER 221 Cb 0.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3bjx h SER 221 CO -0.01 0.42 0.05 0.08 -0.53 0.00 0.00 176.83 176.84 3bjx h ARG 222 N 0.23 0.31 -0.42 2.24 0.11 -0.90 -2.03 114.38 113.92 3bjx h ARG 222 Ca 0.08 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.19 3bjx h ARG 222 Cb 0.19 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 31.15 3bjx h ARG 222 CO -0.01 0.30 0.05 1.49 0.10 0.00 0.00 179.97 181.90 3bjx h GLU 223 N 0.31 0.17 -0.06 0.08 4.81 -0.83 -1.36 114.58 117.70 3bjx h GLU 223 Ca 0.08 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 3bjx h GLU 223 Cb 0.13 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3bjx h GLU 223 CO -0.00 0.11 -0.74 -0.07 -0.73 0.00 0.00 179.01 177.58 3bjx h LEU 224 N 0.18 0.75 -0.37 1.64 3.38 -0.93 0.26 115.31 120.22 3bjx h LEU 224 Ca 0.21 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3bjx h LEU 224 Cb 0.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3bjx h LEU 224 CO -0.30 1.34 0.01 0.58 0.09 0.00 0.00 178.44 180.16 3bjx h VAL 225 N 0.23 0.73 -0.22 1.22 2.07 -1.39 0.24 116.25 119.13 3bjx h VAL 225 Ca -0.08 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3bjx h VAL 225 Cb 1.40 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3bjx h VAL 225 CO 0.15 0.02 -0.50 0.74 0.02 0.00 0.00 177.57 177.99 3bjx h THR 226 N 0.11 1.31 -0.00 2.57 2.02 -1.08 -2.46 112.91 115.38 3bjx h THR 226 Ca 0.18 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 3bjx h THR 226 Cb 0.25 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3bjx h THR 226 CO -0.30 0.54 -0.01 -0.09 0.37 0.00 0.00 175.52 176.04 3bjx h ARG 227 N 0.49 0.01 -1.03 6.66 9.65 -0.27 -2.87 114.38 127.01 3bjx h ARG 227 Ca 0.02 -0.01 0.28 0.00 -1.10 0.00 0.00 59.98 59.17 3bjx h ARG 227 Cb 1.05 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.51 3bjx h ARG 227 CO 0.10 0.57 0.62 0.00 2.80 0.00 0.00 179.97 184.06 3bjx h ALA 228 N 0.44 1.96 0.08 2.80 0.00 -0.54 0.31 119.26 124.31 3bjx h ALA 228 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bjx h ALA 228 Cb 0.57 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bjx h ALA 228 CO 0.00 -0.46 -0.05 -0.09 0.00 0.00 0.00 179.25 178.64 3bjx h ARG 229 N 0.46 -0.13 -0.65 0.00 2.43 -1.39 -1.12 114.38 113.99 3bjx h ARG 229 Ca 0.66 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.76 3bjx h ARG 229 Cb 1.45 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 3bjx h ARG 229 CO -0.47 -0.09 0.09 0.93 -1.51 0.00 0.00 179.97 178.93 3bjx h GLU 230 N -0.13 1.09 -0.41 0.20 5.08 -0.87 -2.50 114.58 117.03 3bjx h GLU 230 Ca -0.00 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3bjx h GLU 230 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3bjx h GLU 230 CO 0.00 1.01 0.14 -0.07 -1.00 0.00 0.00 179.01 179.09 3bjx h LEU 231 N 1.01 0.60 -0.94 1.33 3.38 -0.93 -2.92 115.31 116.84 3bjx h LEU 231 Ca 0.20 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3bjx h LEU 231 Cb 0.46 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3bjx h LEU 231 CO 0.02 0.63 0.59 0.58 0.09 0.00 0.00 178.44 180.35 3bjx h VAL 232 N 0.53 1.03 -0.66 1.22 2.07 -1.11 -1.98 116.25 117.34 3bjx h VAL 232 Ca 0.13 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3bjx h VAL 232 Cb 0.25 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 3bjx h VAL 232 CO -0.01 0.19 0.44 0.03 0.02 0.00 0.00 177.57 178.24 3bjx h ARG 233 N 1.05 0.68 -0.15 1.57 2.47 -1.27 -1.78 114.38 116.95 3bjx h ARG 233 Ca 0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 3bjx h ARG 233 Cb 0.23 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3bjx h ARG 233 CO -0.19 0.45 0.00 0.41 0.56 0.00 0.00 179.97 181.20 3bjx n GLY 234 N -1.46 -0.10 3.71 0.04 0.00 -0.76 -3.53 105.19 103.09 3bjx n GLY 234 Ca 0.09 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3bjx n GLY 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjx n LEU 235 N 0.01 4.63 -4.76 0.99 4.32 -0.97 -4.56 117.00 116.66 3bjx n LEU 235 Ca 0.12 1.02 -0.40 0.00 -0.02 0.00 0.00 56.01 56.74 3bjx n LEU 235 Cb 0.22 -1.52 -0.06 0.00 -1.62 0.00 0.00 43.42 40.44 3bjx n LEU 235 CO 0.09 -0.73 0.54 -2.84 -1.22 0.00 0.00 177.39 173.24 3bjx s PRO 236 N -2.54 4.64 3.06 3.23 0.02 -1.26 -1.71 135.00 140.44 3bjx s PRO 236 Ca 0.67 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3bjx s PRO 236 Cb -0.46 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.76 3bjx s PRO 236 CO 0.53 0.47 0.00 0.41 -0.33 0.00 0.00 177.00 178.08 3bjx n GLY 237 N 1.78 0.51 3.92 0.52 0.00 -1.26 -4.53 105.19 106.12 3bjx n GLY 237 Ca -0.03 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3bjx n GLY 237 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bjx s SER 238 N -4.00 6.35 0.00 1.61 0.01 -1.26 -0.62 113.70 115.79 3bjx s SER 238 Ca 0.00 0.70 -0.24 0.00 1.31 0.00 0.00 55.95 57.72 3bjx s SER 238 Cb 0.00 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 64.14 3bjx s SER 238 CO 0.00 -0.35 0.55 0.00 0.41 0.00 0.00 173.24 173.85 3bjx s ALA 239 N -2.36 -1.41 0.10 1.44 0.00 -1.23 -4.34 121.76 113.96 3bjx s ALA 239 Ca 0.44 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3bjx s ALA 239 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3bjx s ALA 239 CO 0.36 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3bjx n GLY 240 N 0.74 -1.86 2.77 0.00 0.00 -1.25 -4.84 105.19 100.76 3bjx n GLY 240 Ca -0.19 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 3bjx n GLY 240 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bjx s VAL 241 N -0.98 0.41 0.50 1.61 1.01 -1.26 -4.79 120.40 116.90 3bjx s VAL 241 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3bjx s VAL 241 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 3bjx s VAL 241 CO 0.00 0.19 1.37 0.00 0.00 0.00 0.00 175.10 176.66 3bjx n GLN 242 N 5.13 1.90 -0.19 2.72 1.13 -1.24 -4.77 117.38 122.06 3bjx n GLN 242 Ca -0.08 0.69 0.26 0.00 -1.94 0.00 0.00 57.00 55.93 3bjx n GLN 242 Cb 0.50 -2.58 0.66 0.00 0.11 0.00 0.00 30.24 28.93 3bjx n GLN 242 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3bjx h ARG 243 N 1.78 0.11 -0.12 -1.09 2.43 -1.89 -1.91 114.38 113.68 3bjx h ARG 243 Ca -0.51 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3bjx h ARG 243 Cb 1.29 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3bjx h ARG 243 CO 0.59 0.08 0.11 0.77 -1.51 0.00 0.00 179.97 180.00 3bjx h SER 244 N 0.12 0.00 -0.44 -3.80 0.02 -1.90 -2.92 113.55 104.62 3bjx h SER 244 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3bjx h SER 244 Cb 1.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.07 3bjx h SER 244 CO -0.06 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.01 3bjx n GLU 245 N -4.14 2.31 -3.26 3.45 1.02 -0.72 -4.90 120.64 114.40 3bjx n GLU 245 Ca 0.00 -2.01 -0.26 0.00 -0.02 0.00 0.00 57.16 54.87 3bjx n GLU 245 Cb 0.22 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 3bjx n GLU 245 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bjx n LEU 246 N 1.17 3.50 -0.37 -4.62 4.77 -1.11 -5.03 117.00 115.31 3bjx n LEU 246 Ca 0.19 -5.42 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 3bjx n LEU 246 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3bjx n LEU 246 CO 0.14 2.15 0.00 -1.54 -1.33 0.00 0.00 177.39 176.81 3bjx n SER 248 N 0.58 0.00 -2.38 -1.43 3.41 -1.26 -4.79 113.62 107.75 3bjx n SER 248 Ca 0.29 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.67 3bjx n SER 248 Cb 0.43 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3bjx n SER 248 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bjx n LEU 250 N -0.03 -1.47 -4.77 1.04 4.77 -1.26 -5.26 117.00 110.02 3bjx n LEU 250 Ca 0.00 0.47 -0.31 0.00 -0.03 0.00 0.00 56.01 56.14 3bjx n LEU 250 Cb 0.00 -0.49 0.09 0.00 -2.33 0.00 0.00 43.42 40.68 3bjx n LEU 250 CO 0.00 -2.24 0.70 0.42 -1.33 0.00 0.00 177.39 174.95 3bjx s THR 251 N -0.88 3.37 0.35 -5.08 -4.23 -1.26 -4.83 115.64 103.08 3bjx s THR 251 Ca 0.33 0.46 0.12 0.00 -1.18 0.00 0.00 61.69 61.42 3bjx s THR 251 Cb -0.37 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 70.84 3bjx s THR 251 CO 0.34 -0.57 1.75 -0.65 -0.54 0.00 0.00 174.62 174.96 3bjx h PRO 252 N -1.02 0.52 -0.19 3.99 0.11 -1.99 -0.54 132.00 132.88 3bjx h PRO 252 Ca -0.44 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 3bjx h PRO 252 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3bjx h PRO 252 CO 0.52 0.35 -0.65 -0.97 -0.21 0.00 0.00 178.00 177.03 3bjx h ASN 253 N 0.54 0.80 -0.12 -2.05 -0.00 -1.99 -2.15 115.58 110.62 3bjx h ASN 253 Ca 0.61 -0.47 -0.14 0.00 -0.00 0.00 0.00 56.30 56.30 3bjx h ASN 253 Cb 1.28 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.35 3bjx h ASN 253 CO -0.39 1.24 -0.38 -0.33 -0.00 0.00 0.00 177.43 177.57 3bjx h GLU 254 N 0.51 0.64 -0.25 6.67 5.08 -1.76 0.13 114.58 125.60 3bjx h GLU 254 Ca -0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3bjx h GLU 254 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3bjx h GLU 254 CO 0.13 0.92 0.13 -0.07 -1.00 0.00 0.00 179.01 179.12 3bjx h LEU 255 N 0.53 0.31 -0.02 1.33 3.38 -1.12 0.18 115.31 119.90 3bjx h LEU 255 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bjx h LEU 255 Cb 0.90 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3bjx h LEU 255 CO 0.08 0.31 0.01 0.00 0.09 0.00 0.00 178.44 178.93 3bjx h ALA 256 N 1.01 0.03 -0.83 1.53 0.00 -1.27 0.12 119.26 119.85 3bjx h ALA 256 Ca 0.09 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3bjx h ALA 256 Cb 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3bjx h ALA 256 CO -0.01 -0.37 0.54 0.78 0.00 0.00 0.00 179.25 180.19 3bjx h GLY 257 N -0.15 1.15 1.02 0.00 0.00 -0.74 -1.45 103.07 102.91 3bjx h GLY 257 Ca 0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 47.33 46.77 3bjx h GLY 257 CO -0.00 0.21 -0.92 -2.00 0.00 0.00 0.00 176.54 173.82 3bjx h LEU 258 N 0.82 0.74 -0.02 3.11 5.85 -0.42 -0.63 115.31 124.75 3bjx h LEU 258 Ca 0.38 -0.79 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3bjx h LEU 258 Cb 0.38 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3bjx h LEU 258 CO -0.15 1.44 -0.43 0.74 -0.34 0.00 0.00 178.44 179.69 3bjx h THR 259 N 0.12 0.13 -0.74 1.05 2.02 -0.63 -1.56 112.91 113.31 3bjx h THR 259 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3bjx h THR 259 Cb 1.62 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3bjx h THR 259 CO 0.18 0.00 0.48 1.23 0.37 0.00 0.00 175.52 177.78 3bjx h GLY 260 N -0.57 1.05 1.00 2.16 0.00 -1.27 -1.85 103.07 103.58 3bjx h GLY 260 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3bjx h GLY 260 CO -0.34 0.39 0.11 -2.08 0.00 0.00 0.00 176.54 174.62 3bjx h VAL 261 N 1.01 1.25 -0.45 4.60 2.07 -0.93 -3.21 116.25 120.59 3bjx h VAL 261 Ca 0.27 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3bjx h VAL 261 Cb -0.10 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3bjx h VAL 261 CO -0.06 0.33 -0.10 -0.07 0.02 0.00 0.00 177.57 177.69 3bjx h LEU 262 N 0.75 0.87 -1.20 2.57 3.38 -0.96 -2.42 115.31 118.30 3bjx h LEU 262 Ca 0.16 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3bjx h LEU 262 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3bjx h LEU 262 CO 0.01 1.02 0.00 0.33 0.09 0.00 0.00 178.44 179.89 3bjx n PHE 263 N -4.27 0.00 0.00 1.13 7.35 -0.73 -1.89 117.46 119.04 3bjx n PHE 263 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3bjx n PHE 263 Cb 0.37 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.19 3bjx n PHE 263 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3bjx n TYR 265 N 0.59 0.00 -0.15 -5.13 4.01 -0.91 -3.66 117.16 111.91 3bjx n TYR 265 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3bjx n TYR 265 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3bjx n TYR 265 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3bjx h GLN 266 N 0.00 0.45 0.06 -0.72 4.20 -1.67 -2.03 115.11 115.41 3bjx h GLN 266 Ca 0.00 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 3bjx h GLN 266 Cb 0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3bjx h GLN 266 CO 0.00 0.30 -1.08 0.00 -0.67 0.00 0.00 178.83 177.38 3bjx h ARG 267 N 0.47 0.33 -0.08 1.46 -0.00 -1.86 -3.01 114.38 111.68 3bjx h ARG 267 Ca 0.20 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.98 59.24 3bjx h ARG 267 Cb 0.10 0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.21 3bjx h ARG 267 CO -0.14 1.15 0.05 0.35 0.00 0.00 0.00 179.97 181.38 3bjx h PHE 268 N 0.14 0.10 -0.16 3.04 3.57 -1.87 -1.17 116.94 120.60 3bjx h PHE 268 Ca -0.10 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.18 3bjx h PHE 268 Cb 1.76 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.47 3bjx h PHE 268 CO 0.06 0.11 -0.75 0.82 -2.23 0.00 0.00 178.31 176.32 3bjx h ILE 269 N 0.06 1.28 -0.60 1.41 2.04 -1.48 -1.13 117.51 119.10 3bjx h ILE 269 Ca 0.03 -1.96 0.10 0.00 1.00 0.00 0.00 64.86 64.03 3bjx h ILE 269 Cb 0.04 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 3bjx h ILE 269 CO -0.01 0.62 0.17 0.00 0.00 0.00 0.00 178.15 178.94 3bjx h ALA 270 N 0.60 0.74 -0.08 1.87 0.00 -1.55 0.10 119.26 120.94 3bjx h ALA 270 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bjx h ALA 270 Cb 1.38 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3bjx h ALA 270 CO 0.15 -0.26 0.03 -0.44 0.00 0.00 0.00 179.25 178.74 3bjx h ASP 271 N 0.32 0.03 -0.25 0.00 3.32 -0.94 -2.45 116.42 116.46 3bjx h ASP 271 Ca 0.31 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 3bjx h ASP 271 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3bjx h ASP 271 CO -0.36 0.03 -0.54 0.40 -1.72 0.00 0.00 179.24 177.06 3bjx h ILE 272 N 0.07 1.28 -0.18 0.35 1.08 -1.07 -0.98 117.51 118.06 3bjx h ILE 272 Ca 0.04 -1.73 0.05 0.00 -0.39 0.00 0.00 64.86 62.83 3bjx h ILE 272 Cb 0.02 1.63 -0.07 0.00 -3.07 0.00 0.00 36.82 35.33 3bjx h ILE 272 CO -0.04 0.56 -0.30 0.74 -0.69 0.00 0.00 178.15 178.42 3bjx h THR 273 N 0.65 0.30 -0.27 -0.27 2.02 -0.93 -0.66 112.91 113.75 3bjx h THR 273 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3bjx h THR 273 Cb 1.14 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3bjx h THR 273 CO 0.12 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.44 3bjx h ILE 274 N -0.35 0.85 0.29 3.11 2.04 -1.18 -2.05 117.51 120.21 3bjx h ILE 274 Ca 0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3bjx h ILE 274 Cb 0.53 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3bjx h ILE 274 CO -0.38 0.02 -0.16 0.28 0.00 0.00 0.00 178.15 177.92 3bjx h SER 275 N 0.13 -0.39 -0.64 1.72 0.02 -0.70 0.06 113.55 113.75 3bjx h SER 275 Ca 0.12 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3bjx h SER 275 Cb 0.14 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3bjx h SER 275 CO -0.18 -0.26 0.04 0.40 -1.14 0.00 0.00 176.83 175.69 3bjx h ILE 276 N -0.42 1.27 -0.17 3.27 1.08 -1.20 -0.51 117.51 120.83 3bjx h ILE 276 Ca -0.03 -1.12 -0.08 0.00 -0.39 0.00 0.00 64.86 63.24 3bjx h ILE 276 Cb 0.34 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3bjx h ILE 276 CO 0.05 0.41 -0.25 0.40 -0.69 0.00 0.00 178.15 178.07 3bjx h ILE 277 N 1.01 1.25 0.06 -0.67 2.04 -1.32 -0.69 117.51 119.19 3bjx h ILE 277 Ca 0.19 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3bjx h ILE 277 Cb 0.52 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3bjx h ILE 277 CO 0.02 0.36 -0.03 -0.74 0.00 0.00 0.00 178.15 177.76 3bjx h HIS 278 N 0.27 -0.07 -0.71 1.37 2.76 -0.64 -0.69 115.15 117.43 3bjx h HIS 278 Ca 0.04 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.37 3bjx h HIS 278 Cb 0.60 0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.46 3bjx h HIS 278 CO 0.01 0.30 0.05 0.82 -1.30 0.00 0.00 177.93 177.82 3bjx h ILE 279 N -0.46 0.43 -0.61 6.26 2.04 -0.91 -1.80 117.51 122.46 3bjx h ILE 279 Ca -0.01 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3bjx h ILE 279 Cb 0.41 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3bjx h ILE 279 CO 0.01 0.03 0.17 0.74 0.00 0.00 0.00 178.15 179.10 3bjx h THR 280 N 0.15 1.24 -0.81 -0.27 2.02 -0.99 -2.68 112.91 111.57 3bjx h THR 280 Ca 0.39 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3bjx h THR 280 Cb 0.67 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3bjx h THR 280 CO -0.59 0.32 0.33 -0.08 0.37 0.00 0.00 175.52 175.87 3bjx h GLU 281 N 0.90 1.20 0.00 6.66 4.81 -0.29 -0.52 114.58 127.33 3bjx h GLU 281 Ca 0.20 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3bjx h GLU 281 Cb 0.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3bjx h GLU 281 CO -0.00 0.97 -0.19 0.00 -0.73 0.00 0.00 179.01 179.06 3bjx h LEU 283 N 0.00 -0.14 -0.73 0.00 5.85 -1.17 -2.24 115.31 116.87 3bjx h LEU 283 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3bjx h LEU 283 Cb 0.40 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3bjx h LEU 283 CO 0.02 0.43 0.00 0.47 -0.34 0.00 0.00 178.44 179.02 3bjx n ASP 284 N -4.87 0.73 0.00 1.25 8.00 -0.25 -4.48 116.55 116.94 3bjx n ASP 284 Ca -0.05 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3bjx n ASP 284 Cb 0.18 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3bjx n ASP 284 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bjx n GLY 285 N 0.18 0.33 0.32 0.44 0.00 0.45 -4.42 105.19 102.49 3bjx n GLY 285 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.36 3bjx n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjx h ALA 286 N 0.00 2.18 0.00 4.61 0.00 -1.92 -2.57 119.26 121.56 3bjx h ALA 286 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 286 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bjx h ALA 286 CO 0.00 -0.26 -0.04 0.93 0.00 0.00 0.00 179.25 179.88 3bjx h GLU 287 N 0.08 0.02 -0.30 0.00 3.07 -1.96 -1.15 114.58 114.33 3bjx h GLU 287 Ca 0.14 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 3bjx h GLU 287 Cb 0.45 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3bjx h GLU 287 CO -0.01 0.85 0.12 0.00 -1.40 0.00 0.00 179.01 178.57 3bjx h ALA 288 N 0.18 1.64 0.18 3.43 0.00 -1.75 -2.57 119.26 120.37 3bjx h ALA 288 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 3bjx h ALA 288 Cb 0.87 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.56 3bjx h ALA 288 CO 0.01 0.29 -1.13 0.00 0.00 0.00 0.00 179.25 178.41 3bjx h ALA 289 N 1.71 -0.10 0.07 0.00 0.00 -1.47 -3.38 119.26 116.09 3bjx h ALA 289 Ca 0.11 -0.76 -0.26 0.00 0.00 0.00 0.00 54.91 53.99 3bjx h ALA 289 Cb 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3bjx h ALA 289 CO -0.01 0.55 -1.25 0.66 0.00 0.00 0.00 179.25 179.20 3bjx h SER 290 N -0.05 0.24 -3.84 0.00 4.64 -1.24 -3.48 113.55 109.82 3bjx h SER 290 Ca -0.19 -0.27 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 3bjx h SER 290 Cb 1.88 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 63.91 3bjx h SER 290 CO 0.21 1.22 0.20 -0.54 -0.87 0.00 0.00 176.83 177.05 3bjx s LYS 291 N -2.66 3.76 0.07 4.77 -0.14 -0.97 -3.43 119.74 121.14 3bjx s LYS 291 Ca -0.03 0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 54.82 3bjx s LYS 291 Cb 0.08 -2.31 -0.10 0.00 -1.68 0.00 0.00 37.83 33.83 3bjx s LYS 291 CO 0.85 -0.16 1.93 0.45 -0.76 0.00 0.00 175.35 177.66 3bjx n SER 292 N -1.65 4.15 0.25 2.83 2.88 -1.26 -4.88 113.62 115.95 3bjx n SER 292 Ca 0.03 0.93 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 3bjx n SER 292 Cb 0.54 -1.54 0.54 0.00 -0.75 0.00 0.00 64.21 63.00 3bjx n SER 292 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3bjx h PRO 293 N 9.88 0.00 -2.32 -1.46 0.11 -1.87 -3.35 132.00 132.98 3bjx h PRO 293 Ca -0.49 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.03 3bjx h PRO 293 Cb 1.23 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.94 3bjx h PRO 293 CO 0.94 0.07 -0.80 1.19 -0.21 0.00 0.00 178.00 179.20 3bjx n PHE 294 N -3.18 1.68 -2.26 0.65 3.72 -1.26 -5.10 117.46 111.70 3bjx n PHE 294 Ca 0.01 -3.88 -0.41 0.00 -0.05 0.00 0.00 57.45 53.12 3bjx n PHE 294 Cb 0.38 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 3bjx n PHE 294 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3bjx s PRO 295 N -1.53 4.45 0.00 -1.08 0.02 -1.26 -5.09 135.00 130.51 3bjx s PRO 295 Ca 0.35 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3bjx s PRO 295 Cb 0.11 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3bjx s PRO 295 CO -0.10 -0.09 0.17 1.51 -0.33 0.00 0.00 177.00 178.16