#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjx s HIS -13 N 0.00 2.98 -0.15 1.57 4.02 -1.26 -5.03 115.29 117.42 3bjx s HIS -13 Ca 0.00 0.01 0.19 0.00 1.02 0.00 0.00 55.06 56.28 3bjx s HIS -13 Cb 0.00 -1.63 -0.13 0.00 -1.02 0.00 0.00 32.58 29.81 3bjx s HIS -13 CO 0.00 0.42 0.80 0.72 1.02 0.00 0.00 174.74 177.70 3bjx n HIS -12 N 1.38 0.81 -3.24 1.40 -0.00 -1.26 -4.82 115.22 109.50 3bjx n HIS -12 Ca -0.15 0.26 -0.44 0.00 -0.00 0.00 0.00 57.72 57.40 3bjx n HIS -12 Cb 0.53 -0.99 -0.07 0.00 -0.00 0.00 0.00 29.99 29.46 3bjx n HIS -12 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3bjx s HIS -11 N -3.08 3.11 -0.83 4.41 0.09 -1.26 -4.98 115.29 112.76 3bjx s HIS -11 Ca -0.03 -0.55 0.02 0.00 -0.00 0.00 0.00 55.06 54.49 3bjx s HIS -11 Cb 0.09 -3.31 0.27 0.00 -0.00 0.00 0.00 32.58 29.63 3bjx s HIS -11 CO 0.82 -0.90 1.05 0.72 -0.00 0.00 0.00 174.74 176.42 3bjx n HIS -10 N 5.86 3.10 -1.33 1.40 -0.00 -1.26 -4.88 115.22 118.12 3bjx n HIS -10 Ca -0.08 -3.52 -0.31 0.00 -0.00 0.00 0.00 57.72 53.82 3bjx n HIS -10 Cb 0.46 -0.86 0.09 0.00 -0.00 0.00 0.00 29.99 29.68 3bjx n HIS -10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3bjx s SER -9 N -2.14 4.49 1.11 0.41 1.04 -1.26 -5.06 113.70 112.29 3bjx s SER -9 Ca 0.36 1.70 -0.18 0.00 0.48 0.00 0.00 55.95 58.30 3bjx s SER -9 Cb 0.10 -2.43 0.26 0.00 0.10 0.00 0.00 66.02 64.05 3bjx s SER -9 CO 0.03 -2.02 1.21 -1.54 0.98 0.00 0.00 173.24 171.90 3bjx n SER -8 N -3.51 -0.84 0.00 7.02 3.41 -1.26 -4.93 113.62 113.52 3bjx n SER -8 Ca 0.08 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.43 3bjx n SER -8 Cb 0.54 -1.00 0.40 0.00 -0.26 0.00 0.00 64.21 63.89 3bjx n SER -8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bjx n GLY -7 N -4.04 -0.68 0.20 5.00 0.00 -1.26 -3.08 105.19 101.34 3bjx n GLY -7 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3bjx n GLY -7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bjx h LEU -6 N 0.00 0.00 -9.07 0.99 3.38 -2.04 -3.44 115.31 105.13 3bjx h LEU -6 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3bjx h LEU -6 Cb 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.68 3bjx h LEU -6 CO 0.00 0.00 -0.79 0.68 0.09 0.00 0.00 178.44 178.42 3bjx s VAL -5 N -3.25 2.29 0.60 1.22 -7.23 -1.18 -5.14 120.40 107.72 3bjx s VAL -5 Ca 0.07 -2.17 -0.20 0.00 -1.81 0.00 0.00 61.98 57.87 3bjx s VAL -5 Cb 0.07 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3bjx s VAL -5 CO 0.63 -0.28 1.32 -2.84 -0.31 0.00 0.00 175.10 173.63 3bjx s PRO -4 N -3.06 2.84 0.07 4.82 0.02 -1.26 -4.81 135.00 133.62 3bjx s PRO -4 Ca 0.24 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 3bjx s PRO -4 Cb -0.06 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3bjx s PRO -4 CO 0.11 -1.39 1.88 0.50 -0.33 0.00 0.00 177.00 177.77 3bjx s ARG -3 N -3.15 4.14 0.00 5.54 3.52 -1.26 -2.54 118.95 125.20 3bjx s ARG -3 Ca 0.77 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.95 3bjx s ARG -3 Cb -0.39 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 3bjx s ARG -3 CO 0.43 -0.89 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 3bjx n GLY -2 N 4.37 0.48 0.35 8.12 0.00 -1.26 -5.00 105.19 112.25 3bjx n GLY -2 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3bjx n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bjx h SER -1 N 0.00 0.76 0.00 1.61 0.02 -1.88 -3.35 113.55 110.71 3bjx h SER -1 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3bjx h SER -1 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3bjx h SER -1 CO 0.00 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 3bjx n HIS 0 N -4.79 0.00 0.00 3.45 1.44 -1.26 -3.72 115.22 110.34 3bjx n HIS 0 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3bjx n HIS 0 Cb 0.59 -0.22 0.00 0.00 0.12 0.00 0.00 29.99 30.48 3bjx n HIS 0 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3bjx n THR 2 N 1.82 0.00 -2.54 0.61 -2.24 -1.26 -4.75 114.28 105.93 3bjx n THR 2 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3bjx n THR 2 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3bjx n THR 2 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bjx s ASN 3 N 0.00 6.79 0.27 3.42 3.84 -1.24 -4.90 114.94 123.12 3bjx s ASN 3 Ca 0.00 1.08 0.24 0.00 0.21 0.00 0.00 52.86 54.39 3bjx s ASN 3 Cb 0.00 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.16 3bjx s ASN 3 CO 0.00 -1.00 1.72 -0.81 -2.79 0.00 0.00 177.10 174.22 3bjx n PRO 4 N 7.14 0.20 0.00 0.43 -0.04 -1.26 -1.88 135.00 139.59 3bjx n PRO 4 Ca 0.13 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3bjx n PRO 4 Cb 0.47 -1.89 0.14 0.00 -0.04 0.00 0.00 33.50 32.18 3bjx n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bjx n ALA 5 N -1.79 3.07 -2.73 0.55 0.00 -1.26 -4.82 120.51 113.53 3bjx n ALA 5 Ca 0.02 -0.60 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 3bjx n ALA 5 Cb 0.23 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.29 3.58 -0.02 0.00 5.04 -0.79 -4.56 117.35 118.31 3bjx s TYR 6 Ca 0.24 0.64 0.05 0.00 -2.44 0.00 0.00 57.07 55.57 3bjx s TYR 6 Cb 0.19 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 3bjx s TYR 6 CO 0.46 0.56 -0.18 0.12 -1.34 0.00 0.00 175.55 175.18 3bjx s PHE 7 N -0.58 1.62 -0.30 4.97 5.36 -1.26 -4.88 117.98 122.90 3bjx s PHE 7 Ca 0.17 -0.34 -0.40 0.00 -0.96 0.00 0.00 56.93 55.39 3bjx s PHE 7 Cb -0.13 -1.05 -0.15 0.00 -0.34 0.00 0.00 43.02 41.34 3bjx s PHE 7 CO 0.06 -0.06 1.79 -2.30 -1.46 0.00 0.00 175.22 173.25 3bjx n PRO 8 N 2.76 1.10 -3.64 10.12 -0.02 -1.26 -4.94 135.00 139.12 3bjx n PRO 8 Ca -0.16 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 3bjx n PRO 8 Cb 0.54 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 3bjx n PRO 8 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3bjx s GLN 9 N 3.85 1.46 -0.29 -0.52 -2.07 -1.26 -4.60 119.66 116.22 3bjx s GLN 9 Ca 1.00 -0.69 -0.10 0.00 -1.82 0.00 0.00 55.36 53.75 3bjx s GLN 9 Cb -1.08 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 31.39 3bjx s GLN 9 CO 0.65 -0.66 0.15 -1.17 -1.32 0.00 0.00 175.29 172.95 3bjx s LEU 10 N -2.82 3.96 0.66 2.60 2.96 0.00 -4.95 118.68 121.09 3bjx s LEU 10 Ca 0.06 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3bjx s LEU 10 Cb -0.03 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3bjx s LEU 10 CO -0.03 -0.12 1.05 -0.94 -1.32 0.00 0.00 176.35 175.00 3bjx s SER 11 N 1.67 5.86 0.47 3.68 1.04 -1.26 -4.68 113.70 120.48 3bjx s SER 11 Ca 0.06 1.35 0.16 0.00 0.48 0.00 0.00 55.95 58.00 3bjx s SER 11 Cb -0.16 -2.30 1.10 0.00 0.10 0.00 0.00 66.02 64.76 3bjx s SER 11 CO 0.08 -1.10 2.03 1.56 0.98 0.00 0.00 173.24 176.78 3bjx h GLN 12 N -0.48 0.00 0.07 4.02 4.20 -1.96 -2.15 115.11 118.81 3bjx h GLN 12 Ca -0.44 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.13 3bjx h GLN 12 Cb 1.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.01 3bjx h GLN 12 CO 0.62 0.15 -0.56 1.25 -0.67 0.00 0.00 178.83 179.61 3bjx h LEU 13 N 0.00 0.37 -1.30 1.46 5.85 -2.04 -3.36 115.31 116.29 3bjx h LEU 13 Ca -0.00 -0.90 -0.07 0.00 0.84 0.00 0.00 57.88 57.75 3bjx h LEU 13 Cb 0.27 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3bjx h LEU 13 CO 0.02 1.24 -0.31 0.44 -0.34 0.00 0.00 178.44 179.48 3bjx h ASP 14 N -0.45 0.00 -3.93 1.25 3.32 -1.86 -3.45 116.42 111.29 3bjx h ASP 14 Ca -0.09 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.43 3bjx h ASP 14 Cb 1.39 0.00 0.08 0.00 0.22 0.00 0.00 39.33 41.02 3bjx h ASP 14 CO 0.11 0.31 0.63 0.54 -1.72 0.00 0.00 179.24 179.11 3bjx s VAL 15 N -3.97 2.59 0.25 -1.35 0.11 -0.84 -4.95 120.40 112.25 3bjx s VAL 15 Ca -0.02 0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 3bjx s VAL 15 Cb 0.13 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 3bjx s VAL 15 CO 0.68 0.10 0.25 -0.94 -3.33 0.00 0.00 175.10 171.86 3bjx s SER 16 N -0.63 0.55 0.71 3.54 1.04 -1.26 -4.66 113.70 113.00 3bjx s SER 16 Ca 0.55 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3bjx s SER 16 Cb -0.39 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3bjx s SER 16 CO 0.51 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3bjx n GLY 17 N -0.40 2.08 1.41 7.32 0.00 -1.26 -2.48 105.19 111.86 3bjx n GLY 17 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3bjx n GLY 17 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3bjx n GLU 18 N 12.00 0.22 0.00 1.61 0.28 -1.26 -2.32 120.64 131.17 3bjx n GLU 18 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3bjx n GLU 18 Cb 0.00 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.48 3bjx n GLU 18 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3bjx n GLU 20 N 1.35 0.00 0.00 3.44 2.13 -1.03 -0.47 120.64 126.06 3bjx n GLU 20 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3bjx n GLU 20 Cb 0.11 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.74 3bjx n GLU 20 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3bjx h SER 21 N 0.00 0.03 -0.39 4.31 0.02 -1.76 -2.59 113.55 113.17 3bjx h SER 21 Ca 0.00 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3bjx h SER 21 Cb 0.00 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.44 3bjx h SER 21 CO 0.00 0.32 -0.38 0.74 -1.14 0.00 0.00 176.83 176.37 3bjx h THR 22 N -0.27 0.16 -0.41 -2.27 2.02 -1.07 0.26 112.91 111.34 3bjx h THR 22 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.27 3bjx h THR 22 Cb 0.30 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 3bjx h THR 22 CO 0.00 0.00 -0.32 1.88 0.37 0.00 0.00 175.52 177.45 3bjx h TYR 23 N -0.30 -0.88 -0.59 3.16 0.99 -1.81 0.43 116.97 117.97 3bjx h TYR 23 Ca 0.15 0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.94 3bjx h TYR 23 Cb 0.57 0.45 -0.03 0.00 1.00 0.00 0.00 36.73 38.72 3bjx h TYR 23 CO -0.58 -0.38 0.39 1.49 -0.00 0.00 0.00 178.16 179.09 3bjx h GLU 24 N -0.24 0.77 -0.70 4.88 4.57 -1.26 -2.35 114.58 120.26 3bjx h GLU 24 Ca 0.18 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 3bjx h GLU 24 Cb 0.53 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 3bjx h GLU 24 CO -0.55 0.51 0.21 0.22 -1.18 0.00 0.00 179.01 178.22 3bjx h ASP 25 N 0.79 1.03 -0.34 1.04 3.58 -0.19 -1.56 116.42 120.77 3bjx h ASP 25 Ca 0.21 -0.22 0.06 0.00 0.42 0.00 0.00 57.03 57.51 3bjx h ASP 25 Cb -0.09 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.63 3bjx h ASP 25 CO -0.05 0.98 -0.00 0.40 -2.88 0.00 0.00 179.24 177.69 3bjx h ILE 26 N 1.04 0.74 -0.67 2.25 2.04 0.07 -0.37 117.51 122.61 3bjx h ILE 26 Ca 0.22 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 3bjx h ILE 26 Cb 0.32 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3bjx h ILE 26 CO -0.00 0.02 0.12 0.03 0.00 0.00 0.00 178.15 178.32 3bjx h ARG 27 N 0.09 1.09 -0.00 2.37 3.08 -1.08 -0.35 114.38 119.58 3bjx h ARG 27 Ca 0.17 -0.28 -0.21 0.00 0.07 0.00 0.00 59.98 59.73 3bjx h ARG 27 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3bjx h ARG 27 CO -0.28 0.99 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.64 3bjx h LEU 28 N 1.02 0.35 0.04 3.04 3.38 -1.15 -0.24 115.31 121.75 3bjx h LEU 28 Ca 0.21 -0.28 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 3bjx h LEU 28 Cb 0.41 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.08 3bjx h LEU 28 CO 0.01 1.08 -0.83 0.74 0.09 0.00 0.00 178.44 179.53 3bjx h THR 29 N 0.15 1.38 -0.00 0.22 2.02 -0.95 -0.14 112.91 115.60 3bjx h THR 29 Ca -0.05 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3bjx h THR 29 Cb 1.52 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 3bjx h THR 29 CO 0.14 0.66 -0.12 0.18 0.37 0.00 0.00 175.52 176.75 3bjx n LEU 30 N -4.06 0.24 -3.48 2.58 4.77 -0.15 -4.77 117.00 112.13 3bjx n LEU 30 Ca -0.11 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 3bjx n LEU 30 Cb 0.79 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3bjx n LEU 30 CO 0.51 0.05 0.00 0.54 -1.33 0.00 0.00 177.39 177.16 3bjx n ARG 31 N -1.28 -3.66 -4.05 3.23 1.74 -0.22 -4.94 116.66 107.47 3bjx n ARG 31 Ca 0.10 0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 57.78 3bjx n ARG 31 Cb 0.30 -5.37 -0.12 0.00 -1.02 0.00 0.00 32.46 26.26 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 -3.47 0.44 -0.68 1.55 -7.23 -0.47 -4.86 120.40 105.67 3bjx s VAL 32 Ca 0.25 -0.91 0.12 0.00 -1.81 0.00 0.00 61.98 59.63 3bjx s VAL 32 Cb -0.05 -0.50 0.63 0.00 0.56 0.00 0.00 36.38 37.02 3bjx s VAL 32 CO 0.78 -0.33 1.48 -0.81 -0.31 0.00 0.00 175.10 175.91 3bjx n PRO 33 N 1.72 3.80 -3.82 4.82 -0.04 -1.26 -4.57 135.00 135.65 3bjx n PRO 33 Ca -0.21 -2.44 -0.10 0.00 -0.04 0.00 0.00 63.50 60.71 3bjx n PRO 33 Cb 0.55 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.19 0.06 -0.22 0.54 -2.14 -1.26 -1.48 118.94 112.24 3bjx s TRP 34 Ca 0.43 -0.36 -0.13 0.00 2.66 0.00 0.00 56.10 58.69 3bjx s TRP 34 Cb 0.31 -0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 3bjx s TRP 34 CO 0.15 -0.51 0.29 0.08 -2.66 0.00 0.00 176.95 174.30 3bjx s VAL 35 N -3.20 5.27 0.29 -0.66 1.01 -1.26 -4.74 120.40 117.11 3bjx s VAL 35 Ca -0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3bjx s VAL 35 Cb 0.02 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 3bjx s VAL 35 CO -0.07 0.29 1.28 0.00 0.00 0.00 0.00 175.10 176.60 3bjx n ALA 36 N 4.40 0.93 -0.33 5.51 0.00 -1.26 -4.76 120.51 124.99 3bjx n ALA 36 Ca -0.11 0.39 0.17 0.00 0.00 0.00 0.00 53.44 53.88 3bjx n ALA 36 Cb 0.51 -2.22 0.33 0.00 0.00 0.00 0.00 19.45 18.08 3bjx n ALA 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3bjx h PHE 37 N 3.04 0.10 -0.99 0.00 3.57 -1.96 -0.07 116.94 120.62 3bjx h PHE 37 Ca -0.45 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.13 3bjx h PHE 37 Cb 1.29 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 3bjx h PHE 37 CO 0.52 -0.42 0.65 0.78 -2.23 0.00 0.00 178.31 177.61 3bjx h GLY 38 N 0.03 1.40 1.05 2.40 0.00 -1.98 -1.46 103.07 104.51 3bjx h GLY 38 Ca 0.63 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 3bjx h GLY 38 CO -0.88 0.52 -0.09 0.00 0.00 0.00 0.00 176.54 176.10 3bjx h ARG 40 N 0.79 0.28 -0.24 0.00 3.08 -0.70 0.26 114.38 117.84 3bjx h ARG 40 Ca 0.13 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 3bjx h ARG 40 Cb 0.63 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3bjx h ARG 40 CO 0.04 0.34 -0.55 0.28 -1.07 0.00 0.00 179.97 179.01 3bjx h VAL 41 N 0.27 1.30 -0.10 2.04 2.07 -1.24 0.05 116.25 120.63 3bjx h VAL 41 Ca 0.06 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.71 3bjx h VAL 41 Cb 0.26 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3bjx h VAL 41 CO 0.01 0.56 -0.43 -0.07 0.02 0.00 0.00 177.57 177.67 3bjx h LEU 42 N 0.56 0.25 -2.14 2.57 3.38 -0.66 -2.05 115.31 117.21 3bjx h LEU 42 Ca 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bjx h LEU 42 Cb 1.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3bjx h LEU 42 CO 0.11 0.65 0.20 0.00 0.09 0.00 0.00 178.44 179.49 3bjx h ALA 43 N 1.36 1.19 -0.01 1.53 0.00 -0.57 -1.79 119.26 120.97 3bjx h ALA 43 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bjx h ALA 43 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3bjx h ALA 43 CO 0.07 -0.19 -0.11 0.25 0.00 0.00 0.00 179.25 179.27 3bjx n THR 44 N -2.81 0.00 -3.37 0.00 -2.24 -0.77 -4.78 114.28 100.31 3bjx n THR 44 Ca -0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 3bjx n THR 44 Cb 0.25 0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3bjx n THR 44 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3bjx s PHE 45 N -2.36 3.28 0.05 4.78 0.08 -0.67 -5.03 117.98 118.11 3bjx s PHE 45 Ca 0.31 0.49 -0.33 0.00 0.12 0.00 0.00 56.93 57.51 3bjx s PHE 45 Cb 0.20 -2.57 -0.12 0.00 -0.57 0.00 0.00 43.02 39.95 3bjx s PHE 45 CO 0.45 -0.18 1.76 -2.30 -0.10 0.00 0.00 175.22 174.85 3bjx n PRO 46 N 5.13 2.31 0.00 0.24 -0.02 -1.26 -2.59 135.00 138.81 3bjx n PRO 46 Ca -0.08 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3bjx n PRO 46 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.00 3.00 0.48 -1.23 0.00 -1.26 -4.80 105.19 105.37 3bjx n GLY 47 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.10 -0.43 1.61 3.20 -1.80 -3.25 116.97 115.20 3bjx h TYR 48 Ca 0.00 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3bjx h TYR 48 Cb 0.00 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3bjx h TYR 48 CO 0.00 -0.69 -0.00 1.25 -1.64 0.00 0.00 178.16 177.08 3bjx h LEU 49 N -1.32 0.74 -0.80 2.82 5.85 -1.79 0.20 115.31 121.00 3bjx h LEU 49 Ca -0.12 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3bjx h LEU 49 Cb 0.91 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3bjx h LEU 49 CO 0.20 0.87 0.46 -0.65 -0.34 0.00 0.00 178.44 178.98 3bjx h PRO 50 N 0.59 0.77 0.30 5.25 0.11 -1.95 0.19 132.00 137.27 3bjx h PRO 50 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3bjx h PRO 50 Cb 0.49 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3bjx h PRO 50 CO 0.02 0.51 -0.15 1.25 -0.21 0.00 0.00 178.00 179.43 3bjx h LEU 51 N 0.80 -0.34 -0.72 2.35 5.85 -1.47 -2.27 115.31 119.50 3bjx h LEU 51 Ca 0.38 -0.19 0.16 0.00 0.84 0.00 0.00 57.88 59.06 3bjx h LEU 51 Cb 0.31 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 3bjx h LEU 51 CO -0.23 0.10 0.11 0.00 -0.34 0.00 0.00 178.44 178.08 3bjx h ALA 52 N -0.45 0.85 -0.63 1.25 0.00 -0.53 -1.64 119.26 118.12 3bjx h ALA 52 Ca -0.04 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3bjx h ALA 52 Cb 0.52 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3bjx h ALA 52 CO 0.07 -0.37 0.12 2.35 0.00 0.00 0.00 179.25 181.42 3bjx h TRP 53 N 0.20 1.08 -0.29 0.00 2.91 -0.68 -2.94 115.95 116.24 3bjx h TRP 53 Ca 0.40 -0.14 0.05 0.00 1.13 0.00 0.00 58.89 60.32 3bjx h TRP 53 Cb 0.68 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 3bjx h TRP 53 CO -0.31 0.92 0.20 -0.09 -1.03 0.00 0.00 178.44 178.12 3bjx h ARG 54 N 0.94 0.18 0.00 2.65 2.43 -0.69 0.07 114.38 119.95 3bjx h ARG 54 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3bjx h ARG 54 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3bjx h ARG 54 CO 0.01 0.12 -0.69 0.54 -1.51 0.00 0.00 179.97 178.44 3bjx n ARG 55 N -4.48 0.22 -0.00 0.20 5.12 -0.91 -4.14 116.66 112.67 3bjx n ARG 55 Ca 0.03 0.04 0.05 0.00 -1.93 0.00 0.00 57.85 56.05 3bjx n ARG 55 Cb 0.23 -1.62 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 3bjx n ARG 55 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3bjx n SER 56 N -1.93 1.96 -0.21 0.55 7.64 -0.85 -3.82 113.62 116.96 3bjx n SER 56 Ca 0.03 -0.21 -0.04 0.00 1.01 0.00 0.00 58.87 59.66 3bjx n SER 56 Cb 0.41 1.36 0.06 0.00 -1.01 0.00 0.00 64.21 65.03 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 1.13 0.79 -0.35 -0.43 0.00 -1.16 -2.20 119.26 117.04 3bjx h ALA 57 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3bjx h ALA 57 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bjx h ALA 57 CO 0.00 0.12 -0.01 0.93 0.00 0.00 0.00 179.25 180.29 3bjx h GLU 58 N 0.74 0.55 0.00 0.00 5.08 -1.85 -2.74 114.58 116.36 3bjx h GLU 58 Ca 0.25 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 3bjx h GLU 58 Cb 0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3bjx h GLU 58 CO -0.10 0.59 -0.84 0.00 -1.00 0.00 0.00 179.01 177.66 3bjx h ALA 59 N 1.47 0.61 -0.01 3.43 0.00 -1.69 -3.18 119.26 119.89 3bjx h ALA 59 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3bjx h ALA 59 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bjx h ALA 59 CO 0.01 1.05 -0.01 1.28 0.00 0.00 0.00 179.25 181.58 3bjx n LEU 60 N -3.54 1.08 -0.90 0.00 4.77 -0.87 -3.04 117.00 114.51 3bjx n LEU 60 Ca -0.00 -0.35 0.08 0.00 -0.03 0.00 0.00 56.01 55.70 3bjx n LEU 60 Cb 0.80 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 42.08 3bjx n LEU 60 CO 0.45 0.18 0.66 2.30 -1.33 0.00 0.00 177.39 179.65 3bjx n ILE 61 N -0.18 0.82 -2.57 -0.08 -5.35 -1.15 -4.76 119.36 106.09 3bjx n ILE 61 Ca 0.20 -0.91 -0.35 0.00 -0.27 0.00 0.00 62.75 61.42 3bjx n ILE 61 Cb 0.29 0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 38.80 3bjx n ILE 61 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3bjx s THR 62 N -1.07 3.83 0.31 7.28 -4.23 -1.17 -0.46 115.64 120.14 3bjx s THR 62 Ca 0.32 1.21 0.07 0.00 -1.18 0.00 0.00 61.69 62.10 3bjx s THR 62 Cb 0.17 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.79 3bjx s THR 62 CO 0.23 -0.18 1.77 -0.09 -0.54 0.00 0.00 174.62 175.80 3bjx h ARG 63 N 1.84 0.70 -0.21 3.99 9.65 -0.92 -1.76 114.38 127.67 3bjx h ARG 63 Ca -0.49 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.40 3bjx h ARG 63 Cb 1.21 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.56 3bjx h ARG 63 CO 0.60 0.46 -0.37 -0.92 2.80 0.00 0.00 179.97 182.54 3bjx h TYR 64 N 0.72 -1.06 -0.61 2.20 3.20 -1.41 0.76 116.97 120.76 3bjx h TYR 64 Ca 0.59 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.52 3bjx h TYR 64 Cb 0.98 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.71 3bjx h TYR 64 CO -0.00 -0.43 0.41 0.00 -1.64 0.00 0.00 178.16 176.49 3bjx h ALA 65 N 0.36 1.57 -0.30 1.82 0.00 -1.55 0.84 119.26 122.00 3bjx h ALA 65 Ca 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 65 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3bjx h ALA 65 CO -0.43 0.40 -0.15 1.49 0.00 0.00 0.00 179.25 180.56 3bjx h GLU 66 N 0.83 0.63 -0.68 0.00 4.57 -0.82 -0.77 114.58 118.34 3bjx h GLU 66 Ca 0.23 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3bjx h GLU 66 Cb -0.09 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3bjx h GLU 66 CO -0.05 0.86 0.21 0.37 -1.18 0.00 0.00 179.01 179.22 3bjx h GLN 67 N 0.38 1.06 -0.39 1.92 5.75 -0.43 0.14 115.11 123.53 3bjx h GLN 67 Ca 0.06 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3bjx h GLN 67 Cb 0.68 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 3bjx h GLN 67 CO 0.05 0.92 0.22 0.00 -2.65 0.00 0.00 178.83 177.37 3bjx h ALA 68 N 1.09 0.49 -0.28 3.38 0.00 -0.77 -0.21 119.26 122.97 3bjx h ALA 68 Ca 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3bjx h ALA 68 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3bjx h ALA 68 CO -0.01 -0.12 -0.34 0.00 0.00 0.00 0.00 179.25 178.79 3bjx h ALA 69 N 1.18 0.89 -0.37 0.00 0.00 -0.91 -2.43 119.26 117.63 3bjx h ALA 69 Ca 0.16 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3bjx h ALA 69 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3bjx h ALA 69 CO -0.08 0.63 0.12 -0.44 0.00 0.00 0.00 179.25 179.48 3bjx h ASP 70 N 0.51 0.12 0.36 0.00 3.32 -0.41 -0.71 116.42 119.60 3bjx h ASP 70 Ca 0.06 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3bjx h ASP 70 Cb 0.83 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3bjx h ASP 70 CO 0.07 0.10 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.44 3bjx h GLU 71 N 0.27 -0.47 -0.66 3.56 4.81 -0.92 -1.89 114.58 119.28 3bjx h GLU 71 Ca 0.17 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 3bjx h GLU 71 Cb 0.16 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 3bjx h GLU 71 CO -0.18 -0.28 0.29 -0.07 -0.73 0.00 0.00 179.01 178.03 3bjx h LEU 72 N -0.53 0.34 -0.59 1.64 3.38 -1.41 0.44 115.31 118.58 3bjx h LEU 72 Ca -0.05 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3bjx h LEU 72 Cb 0.40 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3bjx h LEU 72 CO 0.08 0.19 0.27 -0.09 0.09 0.00 0.00 178.44 178.98 3bjx h ARG 73 N 0.50 0.48 -0.28 1.13 2.43 -0.99 -2.40 114.38 115.24 3bjx h ARG 73 Ca 0.33 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3bjx h ARG 73 Cb 0.39 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3bjx h ARG 73 CO -0.29 0.32 0.04 1.49 -1.51 0.00 0.00 179.97 180.01 3bjx h GLU 74 N 0.49 0.46 0.00 0.20 4.81 -0.48 -3.05 114.58 117.01 3bjx h GLU 74 Ca 0.28 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3bjx h GLU 74 Cb 0.26 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3bjx h GLU 74 CO -0.23 0.58 -0.01 0.00 -0.73 0.00 0.00 179.01 178.62 3bjx h ARG 75 N 0.28 0.00 0.00 1.92 3.08 -0.80 -3.18 114.38 115.68 3bjx h ARG 75 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3bjx h ARG 75 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3bjx h ARG 75 CO 0.01 0.01 0.00 0.77 -1.07 0.00 0.00 179.97 179.68 3bjx h SER 76 N 0.00 0.00 -3.26 7.04 0.02 -1.32 -3.44 113.55 112.59 3bjx h SER 76 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3bjx h SER 76 Cb 0.03 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.60 3bjx h SER 76 CO 0.00 0.00 0.71 -0.76 -1.14 0.00 0.00 176.83 175.65 3bjx s LEU 77 N -5.33 4.39 -0.06 5.07 1.43 -1.20 -4.75 118.68 118.23 3bjx s LEU 77 Ca -0.04 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.35 3bjx s LEU 77 Cb 0.10 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 3bjx s LEU 77 CO 0.30 -0.63 0.54 -0.76 0.23 0.00 0.00 176.35 176.04 3bjx s LEU 78 N 0.15 4.35 -1.24 1.79 1.43 -1.26 -5.00 118.68 118.89 3bjx s LEU 78 Ca 0.60 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.54 3bjx s LEU 78 Cb -0.39 -2.82 0.12 0.00 0.03 0.00 0.00 46.19 43.13 3bjx s LEU 78 CO 0.37 0.05 1.57 0.21 0.23 0.00 0.00 176.35 178.78 3bjx s ASN 79 N 0.23 6.93 -0.01 2.29 2.47 -1.26 -4.71 114.94 120.89 3bjx s ASN 79 Ca 0.29 -2.66 -0.03 0.00 0.42 0.00 0.00 52.86 50.88 3bjx s ASN 79 Cb -0.17 -2.49 -0.01 0.00 -1.45 0.00 0.00 41.25 37.13 3bjx s ASN 79 CO 0.14 -0.98 -0.05 -0.38 -3.72 0.00 0.00 177.10 172.11 3bjx n ILE 80 N 5.55 0.37 -1.27 -5.21 5.41 -1.26 -5.14 119.36 117.81 3bjx n ILE 80 Ca 0.42 0.27 0.02 0.00 1.00 0.00 0.00 62.75 64.45 3bjx n ILE 80 Cb 0.45 -1.46 -0.01 0.00 -0.71 0.00 0.00 39.64 37.90 3bjx n ILE 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bjx n GLY 81 N 2.43 -2.07 3.71 7.39 0.00 -1.26 -5.01 105.19 110.38 3bjx n GLY 81 Ca -0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.74 1.02 0.14 1.61 0.04 -1.26 -5.11 135.00 126.69 3bjx s PRO 82 Ca 0.00 0.67 0.06 0.00 0.04 0.00 0.00 61.00 61.77 3bjx s PRO 82 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3bjx s PRO 82 CO 0.00 -2.37 0.05 -0.51 0.04 0.00 0.00 177.00 174.21 3bjx s LEU 83 N -6.26 3.55 0.15 -3.56 1.43 -1.26 -5.07 118.68 107.65 3bjx s LEU 83 Ca 0.64 -0.22 -0.34 0.00 -1.03 0.00 0.00 54.13 53.18 3bjx s LEU 83 Cb -0.18 -2.22 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 3bjx s LEU 83 CO 0.57 0.11 1.44 -0.81 0.23 0.00 0.00 176.35 177.90 3bjx n PRO 84 N 0.04 1.72 -2.42 1.29 -0.04 -1.26 -4.90 135.00 129.44 3bjx n PRO 84 Ca -0.09 0.62 -0.38 0.00 -0.04 0.00 0.00 63.50 63.61 3bjx n PRO 84 Cb 0.54 -2.31 -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 0.62 6.07 0.35 3.54 3.84 -1.26 -4.70 114.94 123.40 3bjx s ASN 85 Ca 0.79 -0.99 0.07 0.00 0.21 0.00 0.00 52.86 52.94 3bjx s ASN 85 Cb -0.78 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.02 3bjx s ASN 85 CO 0.43 -1.89 1.87 0.25 -2.79 0.00 0.00 177.10 174.98 3bjx h LEU 86 N 14.15 0.34 0.44 3.21 5.85 -1.64 -2.51 115.31 135.16 3bjx h LEU 86 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3bjx h LEU 86 Cb 1.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3bjx h LEU 86 CO 1.34 0.49 -0.21 0.50 -0.34 0.00 0.00 178.44 180.22 3bjx h LYS 87 N 0.34 -0.57 -0.74 1.25 3.64 -1.80 -0.75 116.57 117.93 3bjx h LYS 87 Ca 0.07 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3bjx h LYS 87 Cb 0.41 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 3bjx h LYS 87 CO 0.02 -0.32 0.49 0.93 -2.27 0.00 0.00 179.45 178.30 3bjx h GLU 88 N -0.72 0.58 -0.71 1.90 4.39 -1.94 -0.39 114.58 117.70 3bjx h GLU 88 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3bjx h GLU 88 Cb 0.52 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3bjx h GLU 88 CO 0.10 0.39 0.39 -0.09 -1.16 0.00 0.00 179.01 178.63 3bjx h ARG 89 N 0.60 0.99 -0.06 2.33 9.65 -1.26 -1.31 114.38 125.32 3bjx h ARG 89 Ca 0.35 -0.12 -0.18 0.00 -1.10 0.00 0.00 59.98 58.94 3bjx h ARG 89 Cb 0.54 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3bjx h ARG 89 CO -0.13 0.74 -0.73 -0.07 2.80 0.00 0.00 179.97 182.58 3bjx h LEU 90 N 0.97 0.38 -0.21 3.80 3.38 -0.21 -1.66 115.31 121.77 3bjx h LEU 90 Ca 0.25 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3bjx h LEU 90 Cb 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3bjx h LEU 90 CO -0.04 0.99 -0.21 1.88 0.09 0.00 0.00 178.44 181.15 3bjx h TYR 91 N 0.22 -0.55 -0.07 1.13 0.05 -0.96 0.12 116.97 116.91 3bjx h TYR 91 Ca -0.03 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3bjx h TYR 91 Cb 1.30 0.28 -0.00 0.00 1.01 0.00 0.00 36.73 39.31 3bjx h TYR 91 CO 0.04 -0.29 0.05 0.00 -1.05 0.00 0.00 178.16 176.91 3bjx h ALA 92 N 0.83 2.02 -0.01 3.88 0.00 -0.97 1.91 119.26 126.93 3bjx h ALA 92 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bjx h ALA 92 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bjx h ALA 92 CO -0.34 -0.09 -0.07 0.00 0.00 0.00 0.00 179.25 178.75 3bjx n ALA 93 N -2.53 2.72 0.00 0.00 0.00 -0.65 -5.05 120.51 115.00 3bjx n ALA 93 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3bjx n ALA 93 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.20 0.00 2.69 0.00 0.00 0.65 -5.06 105.19 104.67 3bjx n GLY 94 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3bjx n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bjx n PHE 95 N 0.00 -0.62 -3.14 1.61 3.72 -1.26 -5.02 117.46 112.76 3bjx n PHE 95 Ca 0.00 0.36 -0.20 0.00 -0.05 0.00 0.00 57.45 57.56 3bjx n PHE 95 Cb 0.00 -1.39 0.05 0.00 -0.94 0.00 0.00 39.48 37.20 3bjx n PHE 95 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3bjx s ASP 96 N -0.09 5.08 0.26 4.37 -4.77 -1.26 -3.99 116.67 116.27 3bjx s ASP 96 Ca -0.03 -0.87 -0.03 0.00 -3.30 0.00 0.00 52.55 48.32 3bjx s ASP 96 Cb 0.00 0.25 0.42 0.00 -1.09 0.00 0.00 42.92 42.50 3bjx s ASP 96 CO 0.07 -1.28 1.85 0.44 0.70 0.00 0.00 175.17 176.95 3bjx h ASP 97 N 0.28 0.89 -0.03 2.11 5.19 -2.00 -1.85 116.42 121.00 3bjx h ASP 97 Ca -0.31 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 3bjx h ASP 97 Cb 1.29 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3bjx h ASP 97 CO 0.43 0.54 -0.05 1.23 -3.12 0.00 0.00 179.24 178.27 3bjx h GLY 98 N 1.01 0.23 0.63 2.75 0.00 -1.99 -1.08 103.07 104.62 3bjx h GLY 98 Ca 0.42 -0.12 -0.23 0.00 0.00 0.00 0.00 47.33 47.41 3bjx h GLY 98 CO -0.21 0.11 -1.07 0.83 0.00 0.00 0.00 176.54 176.21 3bjx h GLU 99 N 0.21 0.28 -0.62 4.80 5.08 -1.80 -3.14 114.58 119.39 3bjx h GLU 99 Ca 0.05 -0.47 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3bjx h GLU 99 Cb 0.23 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3bjx h GLU 99 CO 0.01 1.23 0.42 0.82 -1.00 0.00 0.00 179.01 180.48 3bjx h ILE 100 N -0.35 0.83 -0.31 3.13 2.04 -1.30 -1.59 117.51 119.96 3bjx h ILE 100 Ca -0.21 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 3bjx h ILE 100 Cb 1.69 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3bjx h ILE 100 CO 0.11 0.06 -0.11 -0.08 0.00 0.00 0.00 178.15 178.12 3bjx h GLU 101 N 0.31 0.53 -0.48 2.37 4.57 -1.24 -0.24 114.58 120.40 3bjx h GLU 101 Ca 0.29 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 3bjx h GLU 101 Cb 0.72 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3bjx h GLU 101 CO -0.07 0.64 -0.17 0.87 -1.18 0.00 0.00 179.01 179.10 3bjx h LYS 102 N 0.49 0.97 0.60 1.92 1.79 -1.26 -0.38 116.57 120.69 3bjx h LYS 102 Ca 0.09 -0.39 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 3bjx h LYS 102 Cb 0.49 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3bjx h LYS 102 CO 0.03 1.07 -0.29 0.28 -1.08 0.00 0.00 179.45 179.46 3bjx h VAL 103 N 0.82 0.36 -0.92 0.50 2.07 -1.18 -3.04 116.25 114.86 3bjx h VAL 103 Ca 0.12 -0.19 0.27 0.00 0.82 0.00 0.00 66.70 67.72 3bjx h VAL 103 Cb 0.74 0.43 -0.15 0.00 -1.52 0.00 0.00 31.29 30.79 3bjx h VAL 103 CO 0.06 0.03 0.29 -0.09 0.02 0.00 0.00 177.57 177.87 3bjx h ARG 104 N -0.93 0.18 -0.64 1.57 2.43 -1.03 0.53 114.38 116.49 3bjx h ARG 104 Ca -0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3bjx h ARG 104 Cb 0.66 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 3bjx h ARG 104 CO 0.13 0.12 0.36 0.00 -1.51 0.00 0.00 179.97 179.07 3bjx h ARG 105 N 0.19 0.89 0.11 0.20 3.08 -0.98 -0.23 114.38 117.63 3bjx h ARG 105 Ca 0.61 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 3bjx h ARG 105 Cb 1.31 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3bjx h ARG 105 CO -0.69 0.67 -0.05 0.28 -1.07 0.00 0.00 179.97 179.10 3bjx h VAL 106 N 0.87 1.05 -0.81 2.04 2.07 -1.22 -2.34 116.25 117.92 3bjx h VAL 106 Ca 0.23 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.23 3bjx h VAL 106 Cb 0.03 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 3bjx h VAL 106 CO -0.04 0.15 0.44 -0.07 0.02 0.00 0.00 177.57 178.07 3bjx h LEU 107 N -0.44 0.58 -0.53 2.57 3.38 -0.71 -2.63 115.31 117.54 3bjx h LEU 107 Ca -0.01 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3bjx h LEU 107 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3bjx h LEU 107 CO 0.02 0.30 -0.26 1.88 0.09 0.00 0.00 178.44 180.47 3bjx h TYR 108 N 0.69 1.06 -0.56 1.13 -1.99 -1.00 -0.12 116.97 116.19 3bjx h TYR 108 Ca 0.41 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 3bjx h TYR 108 Cb 0.48 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 3bjx h TYR 108 CO -0.08 1.07 0.29 0.00 -0.00 0.00 0.00 178.16 179.44 3bjx h ALA 109 N 0.91 1.47 0.11 3.88 0.00 -1.10 -1.66 119.26 122.86 3bjx h ALA 109 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3bjx h ALA 109 Cb 0.83 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.41 3bjx h ALA 109 CO 0.07 0.43 -0.70 0.74 0.00 0.00 0.00 179.25 179.79 3bjx h PHE 110 N 0.77 0.50 -1.02 0.00 0.04 -1.24 -2.53 116.94 113.46 3bjx h PHE 110 Ca 0.20 -0.35 0.26 0.00 2.80 0.00 0.00 57.97 60.88 3bjx h PHE 110 Cb 0.04 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.04 3bjx h PHE 110 CO 0.00 1.25 0.62 -0.91 -0.60 0.00 0.00 178.31 178.67 3bjx h ASN 111 N -0.40 0.60 -0.07 2.17 2.35 -0.94 0.16 115.58 119.45 3bjx h ASN 111 Ca -0.12 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3bjx h ASN 111 Cb 1.53 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3bjx h ASN 111 CO 0.13 0.07 -0.17 0.22 -1.65 0.00 0.00 177.43 176.03 3bjx h TYR 112 N 0.50 0.31 0.00 1.19 3.20 -1.32 -3.37 116.97 117.49 3bjx h TYR 112 Ca 0.65 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 62.33 3bjx h TYR 112 Cb 1.37 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 3bjx h TYR 112 CO -0.01 0.78 -0.81 0.78 -1.64 0.00 0.00 178.16 177.26 3bjx h GLY 113 N -0.25 0.00 1.00 1.82 0.00 -1.04 -3.38 103.07 101.23 3bjx h GLY 113 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3bjx h GLY 113 CO 0.04 0.00 -0.17 3.43 0.00 0.00 0.00 176.54 179.84 3bjx h ASN 114 N 0.00 -0.40 -0.48 0.19 2.35 -0.85 0.24 115.58 116.63 3bjx h ASN 114 Ca -0.05 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3bjx h ASN 114 Cb 1.25 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 3bjx h ASN 114 CO 0.03 -0.28 0.32 1.55 -1.65 0.00 0.00 177.43 177.40 3bjx h PRO 115 N -0.47 0.62 -0.29 0.81 0.13 -1.77 -1.56 132.00 129.47 3bjx h PRO 115 Ca -0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3bjx h PRO 115 Cb 0.36 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 3bjx h PRO 115 CO 0.08 0.41 0.13 0.87 -0.23 0.00 0.00 178.00 179.26 3bjx h LYS 116 N 0.64 0.43 -0.43 0.86 1.57 -1.47 -2.60 116.57 115.57 3bjx h LYS 116 Ca 0.18 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3bjx h LYS 116 Cb -0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3bjx h LYS 116 CO -0.04 0.43 0.16 1.88 -0.57 0.00 0.00 179.45 181.31 3bjx h TYR 117 N 0.33 0.62 -0.35 -1.35 0.05 -0.70 -1.72 116.97 113.86 3bjx h TYR 117 Ca 0.10 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.90 3bjx h TYR 117 Cb 0.15 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 3bjx h TYR 117 CO -0.01 0.50 0.23 1.25 -1.05 0.00 0.00 178.16 179.08 3bjx h LEU 118 N 0.62 0.23 0.02 3.88 5.85 -0.93 -1.35 115.31 123.63 3bjx h LEU 118 Ca 0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3bjx h LEU 118 Cb 0.15 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3bjx h LEU 118 CO -0.01 0.15 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.16 3bjx h LEU 119 N 0.26 -0.03 -0.07 2.25 3.38 -0.99 -2.18 115.31 117.94 3bjx h LEU 119 Ca 0.15 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.46 3bjx h LEU 119 Cb 0.27 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3bjx h LEU 119 CO -0.03 0.70 -0.53 0.25 0.09 0.00 0.00 178.44 178.92 3bjx h LEU 120 N -0.78 -1.66 -1.06 1.67 5.85 -1.30 0.56 115.31 118.59 3bjx h LEU 120 Ca -0.00 0.19 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3bjx h LEU 120 Cb 0.71 0.64 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 3bjx h LEU 120 CO 0.01 -0.49 0.63 0.40 -0.34 0.00 0.00 178.44 178.64 3bjx h ILE 121 N -0.61 1.01 -0.39 4.05 1.08 -1.37 0.39 117.51 121.68 3bjx h ILE 121 Ca 0.02 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3bjx h ILE 121 Cb 0.68 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3bjx h ILE 121 CO -0.39 0.19 0.09 0.74 -0.69 0.00 0.00 178.15 178.09 3bjx h THR 122 N 1.05 1.23 -0.52 -0.27 2.02 -0.99 0.18 112.91 115.63 3bjx h THR 122 Ca 0.44 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3bjx h THR 122 Cb 0.31 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3bjx h THR 122 CO -0.20 0.27 0.33 0.00 0.37 0.00 0.00 175.52 176.29 3bjx h ALA 123 N 0.94 0.66 -0.61 6.16 0.00 0.13 -0.75 119.26 125.79 3bjx h ALA 123 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3bjx h ALA 123 Cb 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3bjx h ALA 123 CO 0.00 0.06 0.30 -0.07 0.00 0.00 0.00 179.25 179.54 3bjx h LEU 124 N 0.66 0.79 -0.12 0.00 3.38 -0.95 -2.79 115.31 116.28 3bjx h LEU 124 Ca 0.20 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3bjx h LEU 124 Cb -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.52 3bjx h LEU 124 CO -0.06 0.69 -0.57 -1.28 0.09 0.00 0.00 178.44 177.30 3bjx h SER 125 N 0.83 0.72 -0.50 -0.43 0.87 -0.35 -3.27 113.55 111.41 3bjx h SER 125 Ca 0.21 -0.63 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 3bjx h SER 125 Cb 0.10 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3bjx h SER 125 CO -0.03 1.23 0.25 -0.08 -0.53 0.00 0.00 176.83 177.67 3bjx h GLU 126 N 0.25 0.72 -1.86 2.24 4.57 -1.19 -1.68 114.58 117.63 3bjx h GLU 126 Ca -0.04 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3bjx h GLU 126 Cb 1.21 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3bjx h GLU 126 CO 0.12 0.59 0.00 -1.13 -1.18 0.00 0.00 179.01 177.41 3bjx n SER 127 N -4.62 3.07 0.00 1.04 3.41 -1.05 -1.85 113.62 113.62 3bjx n SER 127 Ca 0.02 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3bjx n SER 127 Cb 0.11 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 1.46 0.00 0.00 4.33 6.02 -0.63 -3.26 117.38 125.30 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 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 3bjx n GLN 129 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3bjx n ARG 131 N 0.00 0.00 -2.24 -1.09 1.74 -0.77 -5.06 116.66 109.24 3bjx n ARG 131 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 3bjx n ARG 131 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3bjx n ARG 131 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bjx s PRO 132 N -3.96 4.24 -0.17 5.56 0.04 -1.26 -4.91 135.00 134.54 3bjx s PRO 132 Ca 0.00 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 3bjx s PRO 132 Cb 0.00 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.69 3bjx s PRO 132 CO 0.00 -0.21 -0.04 0.08 0.04 0.00 0.00 177.00 176.87 3bjx s VAL 133 N -1.26 1.05 0.00 -0.36 1.01 -1.26 -4.57 120.40 115.01 3bjx s VAL 133 Ca 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3bjx s VAL 133 Cb -0.35 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3bjx s VAL 133 CO 0.45 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3bjx n GLY 134 N 4.89 -0.50 1.47 4.51 0.00 -0.62 -4.21 105.19 110.73 3bjx n GLY 134 Ca -0.11 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.62 3.85 -0.02 0.00 0.16 -4.82 105.19 104.96 3bjx n GLY 135 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 2.88 -0.47 4.61 0.00 -0.81 -4.89 121.76 121.08 3bjx s ALA 136 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.72 3bjx s ALA 136 Cb 0.00 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.03 3bjx s ALA 136 CO 0.00 -0.97 0.76 -1.21 0.00 0.00 0.00 175.76 174.34 3bjx s GLU 137 N -5.12 3.33 -0.00 0.00 0.41 -1.26 -4.58 118.70 111.48 3bjx s GLU 137 Ca 0.57 -0.27 0.04 0.00 -0.41 0.00 0.00 54.97 54.89 3bjx s GLU 137 Cb -0.12 -3.98 -0.01 0.00 -1.78 0.00 0.00 34.13 28.24 3bjx s GLU 137 CO 0.54 -1.16 -0.14 0.08 -0.49 0.00 0.00 175.26 174.10 3bjx s VAL 138 N 3.21 1.08 0.88 2.63 1.01 -1.26 -5.08 120.40 122.86 3bjx s VAL 138 Ca 0.27 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3bjx s VAL 138 Cb -0.13 -0.91 0.12 0.00 0.00 0.00 0.00 36.38 35.46 3bjx s VAL 138 CO 0.20 0.27 1.12 -0.94 0.00 0.00 0.00 175.10 175.75 3bjx s SER 139 N -0.42 3.37 0.36 3.32 1.04 -1.26 -4.81 113.70 115.30 3bjx s SER 139 Ca 0.05 2.03 0.07 0.00 0.48 0.00 0.00 55.95 58.58 3bjx s SER 139 Cb -0.06 -2.53 0.77 0.00 0.10 0.00 0.00 66.02 64.31 3bjx s SER 139 CO -0.00 -2.79 1.93 0.28 0.98 0.00 0.00 173.24 173.64 3bjx h SER 140 N -1.65 0.65 -0.07 7.02 0.02 -2.00 -2.63 113.55 114.88 3bjx h SER 140 Ca -0.44 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3bjx h SER 140 Cb 1.26 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3bjx h SER 140 CO 0.45 0.39 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.17 3bjx h GLU 141 N 0.73 0.28 0.00 3.45 3.07 -1.96 -0.44 114.58 119.71 3bjx h GLU 141 Ca 0.35 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3bjx h GLU 141 Cb 0.41 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3bjx h GLU 141 CO -0.13 0.34 -1.00 1.28 -1.40 0.00 0.00 179.01 178.10 3bjx n LEU 142 N -4.34 0.65 0.13 1.33 4.77 -1.02 -3.69 117.00 114.83 3bjx n LEU 142 Ca -0.00 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3bjx n LEU 142 Cb 0.21 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3bjx n LEU 142 CO 0.37 -0.05 0.42 0.03 -1.33 0.00 0.00 177.39 176.83 3bjx h ARG 143 N 0.00 0.00 -6.77 3.23 3.08 -1.10 -0.77 114.38 112.05 3bjx h ARG 143 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3bjx h ARG 143 Cb 0.83 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.03 3bjx h ARG 143 CO 0.00 0.46 0.11 0.00 -1.07 0.00 0.00 179.97 179.47 3bjx n ALA 144 N -2.23 0.15 -2.94 0.04 0.00 -0.22 -4.68 120.51 110.63 3bjx n ALA 144 Ca 0.01 0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 3bjx n ALA 144 Cb 0.73 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 3bjx n ALA 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bjx s SER 145 N -1.10 6.33 0.23 0.00 1.04 -1.26 -0.87 113.70 118.07 3bjx s SER 145 Ca 0.72 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 57.27 3bjx s SER 145 Cb -0.45 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3bjx s SER 145 CO 0.50 -0.05 0.43 0.27 0.98 0.00 0.00 173.24 175.37 3bjx s ILE 146 N -1.93 5.17 0.31 -1.02 -4.36 0.39 -4.82 121.20 114.94 3bjx s ILE 146 Ca 0.35 -0.34 -0.29 0.00 -0.26 0.00 0.00 60.65 60.10 3bjx s ILE 146 Cb -0.10 -3.75 -0.10 0.00 1.25 0.00 0.00 42.46 39.76 3bjx s ILE 146 CO 0.29 -0.24 1.42 -2.16 0.24 0.00 0.00 174.94 174.49 3bjx s PRO 147 N -3.49 4.24 0.51 0.37 0.04 -1.26 -4.95 135.00 130.46 3bjx s PRO 147 Ca 0.39 2.37 -0.20 0.00 0.04 0.00 0.00 61.00 63.60 3bjx s PRO 147 Cb -0.11 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 3bjx s PRO 147 CO 0.30 -0.39 1.08 0.15 0.04 0.00 0.00 177.00 178.18 3bjx s LYS 148 N -1.32 3.62 0.00 4.56 1.02 -1.26 -4.94 119.74 121.41 3bjx s LYS 148 Ca 0.54 1.49 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3bjx s LYS 148 Cb -0.43 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3bjx s LYS 148 CO 0.52 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 3bjx n GLY 149 N -0.03 0.56 3.41 -3.33 0.00 -0.07 -5.02 105.19 100.72 3bjx n GLY 149 Ca 0.10 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.69 2.63 0.70 1.61 3.76 -1.26 -4.16 115.29 117.88 3bjx s HIS 150 Ca 0.00 -0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 54.43 3bjx s HIS 150 Cb 0.00 -1.64 0.02 0.00 1.11 0.00 0.00 32.58 32.07 3bjx s HIS 150 CO 0.00 0.05 1.15 -1.25 -0.85 0.00 0.00 174.74 173.84 3bjx s PRO 151 N -0.49 2.47 0.29 8.40 0.04 -1.26 -4.95 135.00 139.50 3bjx s PRO 151 Ca 0.06 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.67 3bjx s PRO 151 Cb -0.12 -1.90 0.71 0.00 0.04 0.00 0.00 34.50 33.24 3bjx s PRO 151 CO 0.01 -1.53 1.66 1.57 0.04 0.00 0.00 177.00 178.75 3bjx h LYS 152 N -0.17 0.25 -2.84 4.56 -0.00 -2.01 -3.44 116.57 112.93 3bjx h LYS 152 Ca -0.47 -0.02 -0.63 0.00 -0.00 0.00 0.00 60.65 59.53 3bjx h LYS 152 Cb 1.27 -0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3bjx h LYS 152 CO 0.52 0.17 3.24 0.41 -0.00 0.00 0.00 179.45 183.78 3bjx n GLY 153 N -1.36 4.26 2.99 0.07 0.00 -1.26 -5.12 105.19 104.77 3bjx n GLY 153 Ca 0.21 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 1.89 0.94 0.54 1.61 1.01 -1.26 -5.06 116.67 116.35 3bjx s ASP 155 Ca 0.67 -0.14 0.21 0.00 0.71 0.00 0.00 52.55 54.00 3bjx s ASP 155 Cb 0.20 -0.16 1.41 0.00 1.01 0.00 0.00 42.92 45.38 3bjx s ASP 155 CO -0.06 0.08 2.12 1.55 0.21 0.00 0.00 175.17 179.06 3bjx h PRO 156 N 6.11 0.00 -2.43 8.23 0.13 -1.95 -3.41 132.00 138.68 3bjx h PRO 156 Ca -0.31 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.51 3bjx h PRO 156 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 3bjx h PRO 156 CO 0.49 0.00 -0.62 -1.17 -0.23 0.00 0.00 178.00 176.48 3bjx s LEU 157 N -8.66 -0.16 0.01 1.56 2.96 -1.26 -4.23 118.68 108.89 3bjx s LEU 157 Ca -0.05 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 3bjx s LEU 157 Cb 0.17 0.45 -0.04 0.00 0.50 0.00 0.00 46.19 47.27 3bjx s LEU 157 CO 0.66 -0.33 1.10 -0.22 -1.32 0.00 0.00 176.35 176.23 3bjx s LEU 158 N 2.35 4.35 -0.14 -0.68 0.20 -0.55 -5.02 118.68 119.19 3bjx s LEU 158 Ca 0.08 1.81 -0.29 0.00 0.69 0.00 0.00 54.13 56.41 3bjx s LEU 158 Cb -0.16 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 3bjx s LEU 158 CO -0.15 -0.40 1.33 -2.16 -0.29 0.00 0.00 176.35 174.68 3bjx s PRO 159 N 1.28 4.23 -0.10 0.98 0.04 -1.26 -4.90 135.00 135.26 3bjx s PRO 159 Ca 0.55 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 3bjx s PRO 159 Cb -0.25 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 3bjx s PRO 159 CO 0.27 -0.72 0.01 -0.51 0.04 0.00 0.00 177.00 176.09 3bjx s LEU 160 N 3.53 3.60 0.07 -3.56 1.43 -1.26 -4.55 118.68 117.93 3bjx s LEU 160 Ca 0.58 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 3bjx s LEU 160 Cb -0.24 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 3bjx s LEU 160 CO 0.18 0.34 1.62 -0.69 0.23 0.00 0.00 176.35 178.02 3bjx s VAL 161 N -0.62 3.08 -0.20 -1.59 1.01 -0.27 -4.96 120.40 116.84 3bjx s VAL 161 Ca 0.10 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 3bjx s VAL 161 Cb -0.12 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3bjx s VAL 161 CO 0.02 0.00 1.28 -0.62 0.00 0.00 0.00 175.10 175.78 3bjx s ASP 162 N 2.24 6.86 0.51 3.32 -1.08 -1.26 -4.83 116.67 122.43 3bjx s ASP 162 Ca 0.72 1.55 0.24 0.00 -0.52 0.00 0.00 52.55 54.55 3bjx s ASP 162 Cb -0.39 -2.54 1.38 0.00 -1.46 0.00 0.00 42.92 39.91 3bjx s ASP 162 CO 0.32 -0.86 2.07 0.00 0.52 0.00 0.00 175.17 177.21 3bjx h ALA 163 N 8.56 1.40 0.00 3.66 0.00 -1.94 -2.54 119.26 128.40 3bjx h ALA 163 Ca -0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bjx h ALA 163 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3bjx h ALA 163 CO 0.99 0.16 -0.09 1.79 0.00 0.00 0.00 179.25 182.09 3bjx h THR 164 N 0.00 0.00 -0.66 0.00 1.35 -1.91 -3.17 112.91 108.51 3bjx h THR 164 Ca -0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3bjx h THR 164 Cb 0.30 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3bjx h THR 164 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 3bjx n LYS 165 N -2.97 3.08 -4.05 4.72 5.02 -0.98 -5.02 118.16 117.97 3bjx n LYS 165 Ca 0.04 -2.68 -0.25 0.00 -2.02 0.00 0.00 58.31 53.39 3bjx n LYS 165 Cb 0.52 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.31 3.70 0.79 7.82 0.00 -1.08 -5.00 121.76 126.67 3bjx s ALA 166 Ca 0.47 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 3bjx s ALA 166 Cb 0.27 -1.48 0.07 0.00 0.00 0.00 0.00 23.12 21.97 3bjx s ALA 166 CO 0.28 0.46 1.12 -1.54 0.00 0.00 0.00 175.76 176.08 3bjx s SER 167 N -3.30 4.16 0.26 0.00 1.04 -1.26 -4.76 113.70 109.84 3bjx s SER 167 Ca 0.32 2.00 -0.06 0.00 0.48 0.00 0.00 55.95 58.69 3bjx s SER 167 Cb -0.10 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 63.96 3bjx s SER 167 CO 0.25 -2.27 1.60 0.74 0.98 0.00 0.00 173.24 174.54 3bjx h THR 168 N -1.06 0.17 0.03 2.02 2.02 -1.98 0.24 112.91 114.35 3bjx h THR 168 Ca -0.44 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 66.75 3bjx h THR 168 Cb 1.25 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3bjx h THR 168 CO 0.49 0.01 -0.18 -0.08 0.37 0.00 0.00 175.52 176.12 3bjx h GLU 169 N 0.03 -0.30 -0.42 6.66 4.81 -1.99 -0.13 114.58 123.25 3bjx h GLU 169 Ca 0.46 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.61 3bjx h GLU 169 Cb 0.80 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3bjx h GLU 169 CO -0.83 -0.20 -0.16 0.28 -0.73 0.00 0.00 179.01 177.37 3bjx h VAL 170 N -0.31 1.26 -0.35 0.32 2.07 -1.83 -0.57 116.25 116.84 3bjx h VAL 170 Ca 0.05 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3bjx h VAL 170 Cb 0.37 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3bjx h VAL 170 CO -0.15 0.42 0.14 1.56 0.02 0.00 0.00 177.57 179.56 3bjx h GLN 171 N 0.70 0.53 -0.64 1.57 4.20 -0.77 -0.73 115.11 119.97 3bjx h GLN 171 Ca 0.11 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3bjx h GLN 171 Cb 0.65 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 3bjx h GLN 171 CO 0.05 0.52 0.26 0.78 -0.67 0.00 0.00 178.83 179.77 3bjx h GLY 172 N 0.42 0.92 0.99 3.46 0.00 -0.77 -1.29 103.07 106.81 3bjx h GLY 172 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3bjx h GLY 172 CO -0.01 -0.00 0.05 1.41 0.00 0.00 0.00 176.54 177.99 3bjx h LEU 173 N 0.46 0.80 -0.40 3.11 3.38 -0.48 -1.18 115.31 121.01 3bjx h LEU 173 Ca 0.32 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3bjx h LEU 173 Cb 0.39 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3bjx h LEU 173 CO -0.30 0.88 -0.52 -0.07 0.09 0.00 0.00 178.44 178.52 3bjx h LEU 174 N 0.69 0.85 -0.50 1.67 3.38 -1.02 -2.64 115.31 117.74 3bjx h LEU 174 Ca 0.14 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 3bjx h LEU 174 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bjx h LEU 174 CO 0.02 1.21 -0.36 0.50 0.09 0.00 0.00 178.44 179.89 3bjx h LYS 175 N 0.60 0.83 -0.80 1.13 1.63 -1.17 -2.52 116.57 116.27 3bjx h LYS 175 Ca 0.02 -0.42 -0.04 0.00 -0.85 0.00 0.00 60.65 59.36 3bjx h LYS 175 Cb 1.10 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 3bjx h LYS 175 CO 0.11 1.06 0.34 -0.09 -3.45 0.00 0.00 179.45 177.42 3bjx h ARG 176 N 0.69 1.18 0.03 1.90 9.65 -1.14 -0.01 114.38 126.67 3bjx h ARG 176 Ca 0.06 -0.20 -0.22 0.00 -1.10 0.00 0.00 59.98 58.52 3bjx h ARG 176 Cb 0.93 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3bjx h ARG 176 CO 0.09 0.94 -0.98 -0.24 2.80 0.00 0.00 179.97 182.58 3bjx h VAL 177 N 1.16 1.48 0.39 0.20 3.04 -1.46 0.25 116.25 121.31 3bjx h VAL 177 Ca 0.27 -2.69 -0.02 0.00 -1.01 0.00 0.00 66.70 63.25 3bjx h VAL 177 Cb 0.19 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 3bjx h VAL 177 CO -0.03 0.79 -0.19 0.00 -1.01 0.00 0.00 177.57 177.14 3bjx h ALA 178 N 0.82 -0.53 -0.94 3.17 0.00 -1.38 -2.96 119.26 117.44 3bjx h ALA 178 Ca -0.07 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3bjx h ALA 178 Cb 1.64 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3bjx h ALA 178 CO 0.16 -0.73 0.59 -0.44 0.00 0.00 0.00 179.25 178.83 3bjx h ASP 179 N -0.67 0.92 -1.01 0.00 3.32 -1.01 0.94 116.42 118.91 3bjx h ASP 179 Ca -0.05 0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.25 3bjx h ASP 179 Cb 0.48 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.76 3bjx h ASP 179 CO 0.09 0.55 0.62 0.25 -1.72 0.00 0.00 179.24 179.04 3bjx h LEU 180 N 1.03 0.61 -1.39 1.55 5.85 -0.83 0.13 115.31 122.27 3bjx h LEU 180 Ca 0.43 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.25 3bjx h LEU 180 Cb 0.27 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3bjx h LEU 180 CO -0.20 0.15 0.00 1.41 -0.34 0.00 0.00 178.44 179.46 3bjx n HIS 181 N -4.74 0.13 -3.82 1.25 8.25 -0.91 -4.66 115.22 110.72 3bjx n HIS 181 Ca 0.25 -0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.37 3bjx n HIS 181 Cb 0.74 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.86 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 0.64 -1.78 -4.10 4.41 4.01 0.44 -4.93 117.16 115.85 3bjx n TYR 182 Ca 0.17 0.64 -0.22 0.00 -0.16 0.00 0.00 57.90 58.33 3bjx n TYR 182 Cb 0.43 -3.71 -0.04 0.00 -0.31 0.00 0.00 39.34 35.71 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 -3.73 3.15 -0.35 -0.72 3.76 0.28 -5.00 115.29 112.68 3bjx s HIS 183 Ca 0.18 -0.10 0.26 0.00 -0.15 0.00 0.00 55.06 55.25 3bjx s HIS 183 Cb -0.07 -1.42 0.61 0.00 1.11 0.00 0.00 32.58 32.81 3bjx s HIS 183 CO 0.87 0.51 1.71 1.12 -0.85 0.00 0.00 174.74 178.10 3bjx h HIS 184 N 1.51 0.00 -2.24 1.40 2.07 -1.95 -3.39 115.15 112.55 3bjx h HIS 184 Ca -0.49 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.24 3bjx h HIS 184 Cb 1.24 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.15 3bjx h HIS 184 CO 0.55 0.00 0.61 0.20 -3.07 0.00 0.00 177.93 176.22 3bjx s GLY 185 N -4.14 -0.13 0.15 6.13 0.00 -1.26 -4.88 107.32 103.20 3bjx s GLY 185 Ca 0.06 0.04 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 3bjx s GLY 185 CO 0.63 1.34 0.98 2.56 0.00 0.00 0.00 173.10 178.60 3bjx s PRO 186 N -2.62 4.71 0.66 2.90 0.04 -1.26 -4.68 135.00 134.75 3bjx s PRO 186 Ca 0.17 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 3bjx s PRO 186 Cb -0.01 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 3bjx s PRO 186 CO 0.02 0.25 1.10 0.00 0.04 0.00 0.00 177.00 178.42 3bjx s ALA 187 N -0.27 2.49 0.54 8.56 0.00 -1.26 -4.83 121.76 126.98 3bjx s ALA 187 Ca 0.46 0.51 0.32 0.00 0.00 0.00 0.00 51.96 53.25 3bjx s ALA 187 Cb -0.25 -3.30 1.49 0.00 0.00 0.00 0.00 23.12 21.06 3bjx s ALA 187 CO 0.31 -1.26 1.87 0.77 0.00 0.00 0.00 175.76 177.45 3bjx h SER 188 N -0.01 0.01 -0.61 0.00 0.02 -1.96 0.32 113.55 111.32 3bjx h SER 188 Ca -0.47 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3bjx h SER 188 Cb 1.24 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3bjx h SER 188 CO 0.54 0.00 0.34 0.44 -1.14 0.00 0.00 176.83 177.02 3bjx h ASP 189 N 0.01 0.52 0.39 3.07 5.19 -2.00 -1.38 116.42 122.23 3bjx h ASP 189 Ca 0.46 0.02 -0.24 0.00 -0.62 0.00 0.00 57.03 56.65 3bjx h ASP 189 Cb 1.81 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 41.25 3bjx h ASP 189 CO -0.01 0.35 -1.01 -0.26 -3.12 0.00 0.00 179.24 175.19 3bjx h PHE 190 N 0.66 0.60 -0.65 4.55 0.04 -1.30 -2.81 116.94 118.02 3bjx h PHE 190 Ca 0.27 -0.35 0.13 0.00 2.80 0.00 0.00 57.97 60.82 3bjx h PHE 190 Cb 0.13 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 3bjx h PHE 190 CO -0.08 1.18 0.44 1.96 -0.60 0.00 0.00 178.31 181.22 3bjx h GLN 191 N 0.20 0.32 0.08 1.51 4.20 -0.99 -1.44 115.11 118.99 3bjx h GLN 191 Ca -0.09 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 3bjx h GLN 191 Cb 1.66 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 3bjx h GLN 191 CO 0.17 0.21 -1.42 0.00 -0.67 0.00 0.00 178.83 177.12 3bjx h ALA 192 N 1.68 0.34 0.00 3.87 0.00 -1.16 -0.70 119.26 123.29 3bjx h ALA 192 Ca 0.31 -1.10 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 3bjx h ALA 192 Cb 0.78 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3bjx h ALA 192 CO -0.08 1.21 -0.82 -0.07 0.00 0.00 0.00 179.25 179.49 3bjx h LEU 193 N 0.05 0.00 -0.42 0.00 3.38 -1.40 -3.08 115.31 113.84 3bjx h LEU 193 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3bjx h LEU 193 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3bjx h LEU 193 CO 0.15 0.75 0.11 0.00 0.09 0.00 0.00 178.44 179.54 3bjx n ALA 194 N -2.30 0.82 0.06 1.53 0.00 -0.55 0.53 120.51 120.59 3bjx n ALA 194 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.55 3bjx n ALA 194 Cb 0.85 -0.90 0.49 0.00 0.00 0.00 0.00 19.45 19.88 3bjx n ALA 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bjx h ASN 195 N 0.00 0.34 -3.43 0.00 2.35 -1.67 -3.17 115.58 110.00 3bjx h ASN 195 Ca 0.00 -0.01 -0.64 0.00 -0.55 0.00 0.00 56.30 55.10 3bjx h ASN 195 Cb 0.23 -0.08 -0.40 0.00 0.05 0.00 0.00 38.32 38.11 3bjx h ASN 195 CO 0.00 0.24 -0.49 0.26 -1.65 0.00 0.00 177.43 175.79 3bjx s TRP 196 N -5.37 3.55 0.44 1.19 0.51 0.19 -4.98 118.94 114.46 3bjx s TRP 196 Ca -0.07 -3.23 0.25 0.00 -2.12 0.00 0.00 56.10 50.93 3bjx s TRP 196 Cb 0.17 -2.84 1.28 0.00 -0.81 0.00 0.00 33.47 31.27 3bjx s TRP 196 CO 0.72 -0.63 1.74 -1.35 -0.51 0.00 0.00 176.95 176.92 3bjx h PRO 197 N 5.78 0.23 0.00 4.98 0.11 -1.68 0.52 132.00 141.94 3bjx h PRO 197 Ca 0.10 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 3bjx h PRO 197 Cb 0.80 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3bjx h PRO 197 CO 0.73 0.15 -0.82 -0.22 -0.21 0.00 0.00 178.00 177.64 3bjx h LYS 198 N 0.24 0.00 -0.31 1.05 3.64 -1.92 -1.58 116.57 117.69 3bjx h LYS 198 Ca 0.65 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.01 3bjx h LYS 198 Cb 1.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 3bjx h LYS 198 CO -0.26 0.82 0.13 0.28 -2.27 0.00 0.00 179.45 178.15 3bjx h VAL 199 N 0.00 1.18 -0.67 2.00 2.07 -1.21 -1.84 116.25 117.77 3bjx h VAL 199 Ca -0.01 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3bjx h VAL 199 Cb 1.45 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3bjx h VAL 199 CO 0.11 0.19 0.28 0.25 0.02 0.00 0.00 177.57 178.41 3bjx h LEU 200 N 0.36 0.92 0.28 2.57 5.85 -1.33 -0.44 115.31 123.53 3bjx h LEU 200 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3bjx h LEU 200 Cb 0.17 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3bjx h LEU 200 CO -0.01 0.83 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.15 3bjx h GLN 201 N 0.95 -0.41 -0.29 1.25 4.15 -1.20 -0.66 115.11 118.91 3bjx h GLN 201 Ca 0.23 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.69 3bjx h GLN 201 Cb 0.19 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3bjx h GLN 201 CO -0.02 -0.27 0.14 0.82 -1.93 0.00 0.00 178.83 177.57 3bjx h ILE 202 N -0.42 0.99 -0.01 2.39 2.04 -1.17 0.53 117.51 121.86 3bjx h ILE 202 Ca -0.03 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3bjx h ILE 202 Cb 0.34 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3bjx h ILE 202 CO 0.04 0.06 -0.46 -0.37 0.00 0.00 0.00 178.15 177.42 3bjx h VAL 203 N 0.30 1.33 0.37 1.67 -1.51 -1.06 -0.62 116.25 116.74 3bjx h VAL 203 Ca 0.12 -1.58 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 3bjx h VAL 203 Cb 0.04 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3bjx h VAL 203 CO -0.08 0.45 -0.18 0.74 -1.23 0.00 0.00 177.57 177.27 3bjx h THR 204 N 0.03 0.29 0.00 7.19 2.02 -0.79 0.33 112.91 121.98 3bjx h THR 204 Ca -0.00 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 3bjx h THR 204 Cb 0.82 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3bjx h THR 204 CO 0.06 0.07 -0.67 0.44 0.37 0.00 0.00 175.52 175.79 3bjx h ASP 205 N -1.04 0.00 0.00 4.18 3.32 -0.91 -0.73 116.42 121.24 3bjx h ASP 205 Ca -0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3bjx h ASP 205 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3bjx h ASP 205 CO 0.08 0.43 -1.43 -0.62 -1.72 0.00 0.00 179.24 175.99 3bjx n GLU 206 N -3.11 2.96 -0.12 3.56 1.02 -0.26 -4.42 120.64 120.26 3bjx n GLU 206 Ca -0.00 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 3bjx n GLU 206 Cb 0.72 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 3bjx n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bjx n VAL 207 N -2.23 1.52 0.04 2.62 0.31 -1.06 -4.74 118.33 114.79 3bjx n VAL 207 Ca -0.10 -0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 63.96 3bjx n VAL 207 Cb 0.70 -2.01 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 3bjx n VAL 207 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3bjx h LEU 208 N -1.00 0.00 -0.72 7.52 3.38 -0.27 -3.38 115.31 120.83 3bjx h LEU 208 Ca -0.50 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.52 3bjx h LEU 208 Cb 1.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3bjx h LEU 208 CO -0.31 0.76 0.43 0.00 0.09 0.00 0.00 178.44 179.41 3bjx h ALA 209 N 1.24 0.97 0.00 1.53 0.00 -1.34 0.11 119.26 121.78 3bjx h ALA 209 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3bjx h ALA 209 Cb 1.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3bjx h ALA 209 CO 0.07 0.15 0.00 -0.35 0.00 0.00 0.00 179.25 179.12 3bjx n PRO 210 N -4.71 0.05 -0.05 0.00 -0.04 -1.26 -4.25 135.00 124.73 3bjx n PRO 210 Ca 0.09 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 3bjx n PRO 210 Cb 0.15 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 3bjx n PRO 210 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3bjx n VAL 211 N -1.47 0.60 -1.72 0.52 0.24 -0.65 -4.89 118.33 110.96 3bjx n VAL 211 Ca 0.06 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 3bjx n VAL 211 Cb 0.27 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 3bjx n VAL 211 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bjx n ALA 212 N -2.91 1.54 -1.30 2.33 0.00 0.30 -2.48 120.51 118.00 3bjx n ALA 212 Ca -0.19 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3bjx n ALA 212 Cb 0.69 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 3bjx n ALA 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bjx n ARG 213 N 0.25 -1.52 -1.76 0.00 5.12 -1.26 -4.97 116.66 112.51 3bjx n ARG 213 Ca 0.05 0.82 -0.30 0.00 -1.93 0.00 0.00 57.85 56.49 3bjx n ARG 213 Cb 0.38 -5.07 0.05 0.00 -1.16 0.00 0.00 32.46 26.66 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 -1.98 3.80 0.17 0.55 -4.23 -1.03 -4.81 115.64 108.10 3bjx s THR 214 Ca 0.00 0.58 -0.21 0.00 -1.18 0.00 0.00 61.69 60.89 3bjx s THR 214 Cb 0.00 -3.49 0.08 0.00 1.34 0.00 0.00 72.50 70.43 3bjx s THR 214 CO 0.00 -0.76 1.62 -0.33 -0.54 0.00 0.00 174.62 174.61 3bjx h GLU 215 N -0.67 -0.18 -0.79 3.99 5.08 -1.94 0.14 114.58 120.22 3bjx h GLU 215 Ca -0.45 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 3bjx h GLU 215 Cb 1.23 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3bjx h GLU 215 CO 0.61 -0.12 0.52 0.37 -1.00 0.00 0.00 179.01 179.40 3bjx h GLN 216 N -0.18 1.05 -0.20 2.33 4.15 -1.93 0.87 115.11 121.19 3bjx h GLN 216 Ca 0.18 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3bjx h GLN 216 Cb 0.47 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 3bjx h GLN 216 CO -0.49 0.70 -0.12 -0.92 -1.93 0.00 0.00 178.83 176.07 3bjx h TYR 217 N 1.08 0.50 -0.55 3.99 3.20 -1.62 -1.90 116.97 121.67 3bjx h TYR 217 Ca 0.29 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3bjx h TYR 217 Cb -0.12 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3bjx h TYR 217 CO 0.00 0.74 0.26 -0.44 -1.64 0.00 0.00 178.16 177.07 3bjx h ASP 218 N 0.12 0.72 -0.93 -2.11 3.32 -0.44 -1.51 116.42 115.59 3bjx h ASP 218 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3bjx h ASP 218 Cb 0.62 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 3bjx h ASP 218 CO 0.03 0.66 0.60 0.00 -1.72 0.00 0.00 179.24 178.81 3bjx h ALA 219 N 1.09 1.30 -0.42 3.45 0.00 -0.81 -0.92 119.26 122.95 3bjx h ALA 219 Ca 0.19 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 219 Cb 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3bjx h ALA 219 CO -0.02 0.63 -0.23 -0.22 0.00 0.00 0.00 179.25 179.41 3bjx h LYS 220 N 1.27 0.90 -0.12 0.00 1.63 -1.09 -2.11 116.57 117.05 3bjx h LYS 220 Ca 0.34 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3bjx h LYS 220 Cb -0.11 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3bjx h LYS 220 CO -0.07 1.06 0.05 1.03 -3.45 0.00 0.00 179.45 178.07 3bjx h SER 221 N 0.73 0.07 -0.88 4.20 0.87 -0.95 -1.93 113.55 115.66 3bjx h SER 221 Ca 0.09 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 3bjx h SER 221 Cb 0.80 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 3bjx h SER 221 CO 0.07 0.06 0.49 0.03 -0.53 0.00 0.00 176.83 176.94 3bjx h ARG 222 N 0.12 0.70 -0.68 2.24 3.08 -1.14 -0.22 114.38 118.48 3bjx h ARG 222 Ca 0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3bjx h ARG 222 Cb 0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3bjx h ARG 222 CO -0.04 0.46 0.27 1.49 -1.07 0.00 0.00 179.97 181.09 3bjx h GLU 223 N 0.72 1.01 -0.10 0.04 4.81 -1.09 -1.20 114.58 118.77 3bjx h GLU 223 Ca 0.46 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3bjx h GLU 223 Cb 0.59 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3bjx h GLU 223 CO -0.33 0.84 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.73 3bjx h LEU 224 N 0.96 0.18 -0.30 1.64 4.07 -0.87 -0.22 115.31 120.76 3bjx h LEU 224 Ca 0.23 -0.31 0.07 0.00 0.08 0.00 0.00 57.88 57.94 3bjx h LEU 224 Cb 0.21 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 3bjx h LEU 224 CO -0.02 0.45 -0.16 0.58 -1.08 0.00 0.00 178.44 178.21 3bjx h VAL 225 N -0.10 0.52 0.32 1.22 2.07 -0.93 -0.04 116.25 119.30 3bjx h VAL 225 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3bjx h VAL 225 Cb 0.36 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3bjx h VAL 225 CO 0.01 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 178.18 3bjx h THR 226 N -0.12 0.71 -0.22 2.57 2.02 -1.24 -2.33 112.91 114.30 3bjx h THR 226 Ca 0.16 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.15 3bjx h THR 226 Cb 0.36 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3bjx h THR 226 CO -0.38 0.05 -0.01 -0.09 0.37 0.00 0.00 175.52 175.46 3bjx h ARG 227 N -0.55 0.05 -0.85 6.66 9.65 -0.88 -1.47 114.38 127.00 3bjx h ARG 227 Ca -0.04 -0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.98 3bjx h ARG 227 Cb 0.40 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.91 3bjx h ARG 227 CO 0.07 0.04 0.55 0.00 2.80 0.00 0.00 179.97 183.43 3bjx h ALA 228 N 1.19 1.91 -0.31 2.80 0.00 -1.04 0.67 119.26 124.47 3bjx h ALA 228 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bjx h ALA 228 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3bjx h ALA 228 CO -0.18 -0.13 0.19 -0.09 0.00 0.00 0.00 179.25 179.04 3bjx h ARG 229 N 0.62 0.42 -0.32 0.00 2.43 -0.71 -1.19 114.38 115.63 3bjx h ARG 229 Ca 0.42 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.47 3bjx h ARG 229 Cb 0.74 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3bjx h ARG 229 CO -0.18 0.32 -0.12 0.93 -1.51 0.00 0.00 179.97 179.41 3bjx h GLU 230 N 0.40 0.65 -0.98 0.20 5.08 -0.61 -2.96 114.58 116.36 3bjx h GLU 230 Ca 0.11 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3bjx h GLU 230 Cb 0.00 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3bjx h GLU 230 CO -0.02 0.85 0.64 -0.07 -1.00 0.00 0.00 179.01 179.41 3bjx h LEU 231 N 0.42 1.02 -0.98 1.33 3.38 -0.74 -2.00 115.31 117.74 3bjx h LEU 231 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3bjx h LEU 231 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3bjx h LEU 231 CO 0.04 0.67 -0.40 -0.37 0.09 0.00 0.00 178.44 178.46 3bjx h VAL 232 N 1.17 0.99 -0.78 1.22 -1.51 -1.09 -2.91 116.25 113.33 3bjx h VAL 232 Ca 0.42 -1.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.31 3bjx h VAL 232 Cb 0.13 1.91 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 3bjx h VAL 232 CO -0.16 0.39 0.40 0.03 -1.23 0.00 0.00 177.57 177.00 3bjx h ARG 233 N 0.00 1.10 -0.09 5.19 2.47 -1.21 -1.60 114.38 120.25 3bjx h ARG 233 Ca -0.00 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3bjx h ARG 233 Cb 0.88 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3bjx h ARG 233 CO 0.05 0.83 0.00 0.41 0.56 0.00 0.00 179.97 181.82 3bjx n GLY 234 N -1.11 -0.17 3.74 0.04 0.00 -1.01 -2.92 105.19 103.76 3bjx n GLY 234 Ca 0.08 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.07 5.09 -4.80 0.99 4.77 -1.11 -4.57 117.00 117.29 3bjx n LEU 235 Ca 0.17 1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.85 3bjx n LEU 235 Cb 0.25 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.72 3bjx n LEU 235 CO 0.13 -0.48 0.68 -2.16 -1.33 0.00 0.00 177.39 174.23 3bjx s PRO 236 N -2.61 4.18 3.56 3.23 0.04 -1.26 -1.92 135.00 140.21 3bjx s PRO 236 Ca 0.66 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3bjx s PRO 236 Cb -0.44 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3bjx s PRO 236 CO 0.54 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.90 3bjx n GLY 237 N -0.26 0.31 3.28 0.56 0.00 -1.26 -4.67 105.19 103.14 3bjx n GLY 237 Ca 0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 2.25 0.17 1.61 0.01 -1.26 0.35 113.70 112.83 3bjx s SER 238 Ca 0.00 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.32 3bjx s SER 238 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3bjx s SER 238 CO 0.00 -0.12 0.30 0.00 0.41 0.00 0.00 173.24 173.84 3bjx s ALA 239 N -2.21 -0.03 0.05 1.44 0.00 -1.25 -4.54 121.76 115.22 3bjx s ALA 239 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3bjx s ALA 239 Cb -0.05 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.96 3bjx s ALA 239 CO 0.04 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3bjx n GLY 240 N -0.23 -1.66 3.18 0.00 0.00 -1.26 -4.85 105.19 100.37 3bjx n GLY 240 Ca -0.07 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 3bjx n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjx s VAL 241 N -0.43 -0.14 0.51 1.61 0.11 -1.26 -4.70 120.40 116.09 3bjx s VAL 241 Ca 0.00 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 58.98 3bjx s VAL 241 Cb 0.00 -0.53 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 3bjx s VAL 241 CO 0.00 0.06 1.13 -1.10 -3.33 0.00 0.00 175.10 171.86 3bjx s GLN 242 N 1.60 3.54 0.45 1.54 -1.52 -1.26 -4.78 119.66 119.24 3bjx s GLN 242 Ca -0.07 1.65 0.15 0.00 -1.95 0.00 0.00 55.36 55.14 3bjx s GLN 242 Cb -0.10 -2.16 1.01 0.00 -0.22 0.00 0.00 33.01 31.55 3bjx s GLN 242 CO -0.11 -0.70 1.98 -0.09 -0.25 0.00 0.00 175.29 176.12 3bjx h ARG 243 N 1.54 0.00 -0.48 2.91 2.43 -1.97 -1.92 114.38 116.89 3bjx h ARG 243 Ca -0.50 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3bjx h ARG 243 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3bjx h ARG 243 CO 0.58 0.20 0.32 0.66 -1.51 0.00 0.00 179.97 180.22 3bjx h SER 244 N 0.00 0.55 0.23 -3.80 4.64 -1.92 -2.67 113.55 110.58 3bjx h SER 244 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3bjx h SER 244 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3bjx h SER 244 CO 0.03 0.40 0.00 1.21 -0.87 0.00 0.00 176.83 177.59 3bjx n GLU 245 N -4.46 0.76 -3.45 4.77 2.13 -0.72 -4.73 120.64 114.93 3bjx n GLU 245 Ca 0.04 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.52 3bjx n GLU 245 Cb 0.06 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 3bjx n GLU 245 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3bjx n LEU 246 N -1.12 4.53 -0.09 4.31 4.77 -1.01 -5.03 117.00 123.36 3bjx n LEU 246 Ca 0.20 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 3bjx n LEU 246 Cb 0.16 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3bjx n LEU 246 CO 0.20 1.75 0.00 -1.20 -1.33 0.00 0.00 177.39 176.81 3bjx n SER 248 N 1.63 0.00 -3.33 -1.43 7.64 -1.26 -4.79 113.62 112.08 3bjx n SER 248 Ca 0.25 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.83 3bjx n SER 248 Cb 0.37 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 3bjx n SER 248 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bjx n LEU 250 N -0.09 -3.57 -4.81 -3.43 4.77 -1.26 -5.23 117.00 103.38 3bjx n LEU 250 Ca 0.00 0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 56.06 3bjx n LEU 250 Cb 0.00 -0.65 0.04 0.00 -2.33 0.00 0.00 43.42 40.47 3bjx n LEU 250 CO 0.00 -4.16 0.71 0.42 -1.33 0.00 0.00 177.39 173.03 3bjx s THR 251 N -1.60 3.97 0.19 -5.08 -4.23 -1.26 -4.85 115.64 102.78 3bjx s THR 251 Ca 0.41 0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 3bjx s THR 251 Cb -0.31 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.30 3bjx s THR 251 CO 0.57 -0.75 1.64 -0.65 -0.54 0.00 0.00 174.62 174.90 3bjx h PRO 252 N -0.35 -0.00 -0.56 3.99 0.11 -1.99 -0.51 132.00 132.69 3bjx h PRO 252 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.77 3bjx h PRO 252 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3bjx h PRO 252 CO 0.57 -0.00 0.04 -0.97 -0.21 0.00 0.00 178.00 177.43 3bjx h ASN 253 N -0.00 -0.16 -0.61 -2.05 -0.00 -1.99 -0.44 115.58 110.32 3bjx h ASN 253 Ca 0.25 0.13 -0.04 0.00 -0.00 0.00 0.00 56.30 56.63 3bjx h ASN 253 Cb 0.39 0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.89 3bjx h ASN 253 CO -0.54 -0.06 0.23 -0.33 -0.00 0.00 0.00 177.43 176.72 3bjx h GLU 254 N 0.16 0.97 -0.06 6.67 5.08 -1.58 -1.16 114.58 124.65 3bjx h GLU 254 Ca 0.29 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3bjx h GLU 254 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3bjx h GLU 254 CO -0.44 0.81 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.77 3bjx h LEU 255 N 0.94 0.21 -0.42 1.33 3.38 -0.38 0.22 115.31 120.59 3bjx h LEU 255 Ca 0.22 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3bjx h LEU 255 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3bjx h LEU 255 CO -0.01 0.71 -0.46 0.00 0.09 0.00 0.00 178.44 178.76 3bjx h ALA 256 N 1.30 0.60 -0.03 1.53 0.00 -0.88 -1.93 119.26 119.84 3bjx h ALA 256 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 3bjx h ALA 256 Cb 1.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3bjx h ALA 256 CO 0.08 0.68 -0.60 0.78 0.00 0.00 0.00 179.25 180.19 3bjx h GLY 257 N 0.83 0.51 0.51 0.00 0.00 -0.87 -2.15 103.07 101.90 3bjx h GLY 257 Ca 0.04 -0.83 0.08 0.00 0.00 0.00 0.00 47.33 46.61 3bjx h GLY 257 CO 0.10 0.74 0.24 -2.00 0.00 0.00 0.00 176.54 175.61 3bjx h LEU 258 N -0.02 0.27 -0.31 3.11 5.85 -0.66 0.19 115.31 123.75 3bjx h LEU 258 Ca -0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3bjx h LEU 258 Cb 1.28 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3bjx h LEU 258 CO 0.12 0.18 0.20 0.74 -0.34 0.00 0.00 178.44 179.34 3bjx h THR 259 N 0.44 1.08 -0.32 1.05 2.02 -1.30 -1.36 112.91 114.52 3bjx h THR 259 Ca 0.27 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 3bjx h THR 259 Cb 0.29 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3bjx h THR 259 CO -0.25 0.08 -0.21 1.23 0.37 0.00 0.00 175.52 176.74 3bjx h GLY 260 N 0.42 0.66 0.92 2.16 0.00 -1.09 -2.12 103.07 104.00 3bjx h GLY 260 Ca 0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3bjx h GLY 260 CO -0.02 0.48 -0.09 -2.08 0.00 0.00 0.00 176.54 174.83 3bjx h VAL 261 N 0.54 1.28 -0.25 4.60 2.07 -0.42 -3.21 116.25 120.85 3bjx h VAL 261 Ca 0.08 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 3bjx h VAL 261 Cb 0.65 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3bjx h VAL 261 CO 0.05 0.37 0.09 -0.07 0.02 0.00 0.00 177.57 178.03 3bjx h LEU 262 N 0.40 0.36 -0.59 2.57 3.38 -1.18 -1.16 115.31 119.09 3bjx h LEU 262 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3bjx h LEU 262 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bjx h LEU 262 CO 0.03 0.45 0.00 0.33 0.09 0.00 0.00 178.44 179.35 3bjx n PHE 263 N -4.76 0.00 0.00 1.13 7.35 -0.80 -1.79 117.46 118.59 3bjx n PHE 263 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3bjx n PHE 263 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 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 0.05 0.00 -0.15 -5.13 4.01 -0.44 -3.50 117.16 112.00 3bjx n TYR 265 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 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 0.07 0.02 -0.72 4.20 -1.63 -1.40 115.11 115.65 3bjx h GLN 266 Ca 0.00 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3bjx h GLN 266 Cb 0.00 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3bjx h GLN 266 CO 0.00 0.05 -0.95 0.00 -0.67 0.00 0.00 178.83 177.26 3bjx h ARG 267 N 0.07 0.30 0.17 1.46 -0.00 -1.86 -2.43 114.38 112.09 3bjx h ARG 267 Ca 0.23 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 3bjx h ARG 267 Cb 0.35 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.42 3bjx h ARG 267 CO -0.42 1.05 -0.08 0.35 0.00 0.00 0.00 179.97 180.87 3bjx h PHE 268 N 0.16 -0.21 0.02 3.04 3.57 -1.83 0.05 116.94 121.73 3bjx h PHE 268 Ca -0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3bjx h PHE 268 Cb 1.59 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.40 3bjx h PHE 268 CO 0.05 0.07 -0.01 0.82 -2.23 0.00 0.00 178.31 177.01 3bjx h ILE 269 N -0.48 1.05 -0.53 1.41 1.08 -1.35 0.56 117.51 119.25 3bjx h ILE 269 Ca -0.02 -0.20 0.10 0.00 -0.39 0.00 0.00 64.86 64.35 3bjx h ILE 269 Cb 0.37 1.18 -0.11 0.00 -3.07 0.00 0.00 36.82 35.20 3bjx h ILE 269 CO 0.04 0.05 -0.27 0.00 -0.69 0.00 0.00 178.15 177.28 3bjx h ALA 270 N 0.86 0.07 -0.36 1.87 0.00 -1.43 0.74 119.26 121.01 3bjx h ALA 270 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3bjx h ALA 270 Cb 0.11 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3bjx h ALA 270 CO 0.00 -0.61 0.19 -0.44 0.00 0.00 0.00 179.25 178.39 3bjx h ASP 271 N -0.14 0.28 -0.40 0.00 3.32 -0.53 -1.84 116.42 117.11 3bjx h ASP 271 Ca 0.23 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3bjx h ASP 271 Cb 0.51 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3bjx h ASP 271 CO -0.62 0.21 -0.30 0.40 -1.72 0.00 0.00 179.24 177.21 3bjx h ILE 272 N 0.38 1.28 -0.64 0.35 1.08 -0.35 -1.21 117.51 118.40 3bjx h ILE 272 Ca 0.15 -1.47 0.13 0.00 -0.39 0.00 0.00 64.86 63.28 3bjx h ILE 272 Cb 0.04 1.33 -0.10 0.00 -3.07 0.00 0.00 36.82 35.03 3bjx h ILE 272 CO -0.09 0.49 0.08 0.74 -0.69 0.00 0.00 178.15 178.67 3bjx h THR 273 N 0.72 0.54 -0.26 -0.27 2.02 0.81 -2.34 112.91 114.13 3bjx h THR 273 Ca 0.08 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3bjx h THR 273 Cb 0.88 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3bjx h THR 273 CO 0.08 0.03 -0.00 0.40 0.37 0.00 0.00 175.52 176.40 3bjx h ILE 274 N 0.19 1.26 -0.73 3.11 2.04 -1.02 -2.90 117.51 119.45 3bjx h ILE 274 Ca 0.34 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3bjx h ILE 274 Cb 0.55 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3bjx h ILE 274 CO -0.49 0.29 0.33 0.28 0.00 0.00 0.00 178.15 178.56 3bjx h SER 275 N 0.24 0.97 0.31 1.72 0.02 -0.79 -0.03 113.55 115.99 3bjx h SER 275 Ca 0.07 -0.15 -0.29 0.00 -0.84 0.00 0.00 61.79 60.58 3bjx h SER 275 Cb 0.42 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.73 3bjx h SER 275 CO 0.01 0.85 -1.26 0.40 -1.14 0.00 0.00 176.83 175.70 3bjx h ILE 276 N 1.03 1.35 -0.65 3.27 1.08 -1.54 -1.41 117.51 120.63 3bjx h ILE 276 Ca 0.25 -2.66 -0.05 0.00 -0.39 0.00 0.00 64.86 62.01 3bjx h ILE 276 Cb 0.16 2.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 3bjx h ILE 276 CO -0.03 0.79 0.20 0.40 -0.69 0.00 0.00 178.15 178.83 3bjx h ILE 277 N 0.19 1.24 -0.14 -0.67 2.04 -1.46 -0.30 117.51 118.42 3bjx h ILE 277 Ca -0.18 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3bjx h ILE 277 Cb 1.94 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3bjx h ILE 277 CO 0.23 0.33 -0.04 -0.74 0.00 0.00 0.00 178.15 177.93 3bjx h HIS 278 N 0.97 -0.08 -0.35 1.37 2.76 -0.84 0.32 115.15 119.29 3bjx h HIS 278 Ca 0.21 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 3bjx h HIS 278 Cb 0.28 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 3bjx h HIS 278 CO 0.02 -0.06 0.15 0.82 -1.30 0.00 0.00 177.93 177.56 3bjx h ILE 279 N -0.01 0.94 -0.90 6.26 2.04 -1.07 -1.99 117.51 122.78 3bjx h ILE 279 Ca 0.07 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.94 3bjx h ILE 279 Cb 0.11 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3bjx h ILE 279 CO -0.14 0.06 0.53 0.74 0.00 0.00 0.00 178.15 179.33 3bjx h THR 280 N 0.31 0.86 -0.45 -0.27 2.02 -0.79 -2.06 112.91 112.54 3bjx h THR 280 Ca 0.15 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 3bjx h THR 280 Cb 0.10 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3bjx h THR 280 CO -0.13 0.15 -0.12 -0.08 0.37 0.00 0.00 175.52 175.71 3bjx h GLU 281 N 0.83 0.82 0.00 6.66 4.81 -0.46 0.15 114.58 127.39 3bjx h GLU 281 Ca 0.46 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3bjx h GLU 281 Cb 0.50 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3bjx h GLU 281 CO -0.29 0.90 -0.13 0.00 -0.73 0.00 0.00 179.01 178.76 3bjx h LEU 283 N 0.00 0.00 0.00 0.00 5.85 -0.71 -1.82 115.31 118.63 3bjx h LEU 283 Ca -0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3bjx h LEU 283 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3bjx h LEU 283 CO 0.02 1.26 -0.22 0.47 -0.34 0.00 0.00 178.44 179.62 3bjx n ASP 284 N -4.50 0.59 0.00 1.25 8.00 0.46 -4.55 116.55 117.80 3bjx n ASP 284 Ca -0.23 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.77 3bjx n ASP 284 Cb 0.56 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 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 1.20 0.48 0.11 0.44 0.00 -0.01 -4.57 105.19 102.84 3bjx n GLY 285 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 0.75 0.16 4.61 0.00 -1.93 -1.81 119.26 121.03 3bjx h ALA 286 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3bjx h ALA 286 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3bjx h ALA 286 CO 0.00 0.94 -0.94 1.49 0.00 0.00 0.00 179.25 180.74 3bjx h GLU 287 N 0.00 0.33 -0.52 0.00 4.81 -1.98 -2.56 114.58 114.66 3bjx h GLU 287 Ca -0.01 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 3bjx h GLU 287 Cb 1.34 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 3bjx h GLU 287 CO 0.10 1.27 0.26 0.00 -0.73 0.00 0.00 179.01 179.91 3bjx h ALA 288 N 0.08 1.48 -0.30 2.92 0.00 -1.80 -1.89 119.26 119.76 3bjx h ALA 288 Ca -0.17 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3bjx h ALA 288 Cb 1.72 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3bjx h ALA 288 CO 0.16 0.42 -0.45 0.00 0.00 0.00 0.00 179.25 179.38 3bjx h ALA 289 N 1.56 0.46 0.00 0.00 0.00 -1.35 -3.37 119.26 116.55 3bjx h ALA 289 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3bjx h ALA 289 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bjx h ALA 289 CO -0.03 0.60 -1.92 -1.13 0.00 0.00 0.00 179.25 176.78 3bjx n SER 290 N -4.09 0.08 -4.84 0.00 3.41 -0.97 -4.93 113.62 102.28 3bjx n SER 290 Ca -0.04 -0.06 -0.32 0.00 -0.26 0.00 0.00 58.87 58.19 3bjx n SER 290 Cb 0.57 1.91 -0.03 0.00 -0.26 0.00 0.00 64.21 66.41 3bjx n SER 290 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bjx s LYS 291 N -3.48 3.88 -0.08 4.33 1.02 -0.72 -3.87 119.74 120.82 3bjx s LYS 291 Ca -0.07 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 56.59 3bjx s LYS 291 Cb 0.14 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 3bjx s LYS 291 CO 0.91 -0.33 1.72 0.45 -0.92 0.00 0.00 175.35 177.18 3bjx s SER 292 N -3.10 6.51 0.56 2.83 0.15 -1.26 -4.85 113.70 114.53 3bjx s SER 292 Ca 0.59 2.15 0.33 0.00 0.70 0.00 0.00 55.95 59.72 3bjx s SER 292 Cb -0.10 -2.53 1.67 0.00 -1.71 0.00 0.00 66.02 63.34 3bjx s SER 292 CO 0.33 -1.07 2.13 -0.65 1.20 0.00 0.00 173.24 175.18 3bjx h PRO 293 N 10.25 0.00 -2.30 5.44 0.11 -1.89 -3.30 132.00 140.31 3bjx h PRO 293 Ca -0.40 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.13 3bjx h PRO 293 Cb 1.18 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.90 3bjx h PRO 293 CO 0.96 0.07 -0.88 1.19 -0.21 0.00 0.00 178.00 179.13 3bjx n PHE 294 N -3.42 0.96 -1.65 0.65 3.72 -1.26 -5.08 117.46 111.38 3bjx n PHE 294 Ca -0.02 -3.75 -0.46 0.00 -0.05 0.00 0.00 57.45 53.18 3bjx n PHE 294 Cb 0.21 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 3bjx n PHE 294 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3bjx n PRO 295 N 1.73 1.82 -0.42 -1.08 -0.02 -1.25 -5.06 135.00 130.73 3bjx n PRO 295 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3bjx n PRO 295 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3bjx n PRO 295 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99