#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjx n HIS -12 N 0.00 0.00 -3.66 4.41 8.25 -1.26 -4.98 115.22 117.98 3bjx n HIS -12 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3bjx n HIS -12 Cb 0.00 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 3bjx n HIS -12 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3bjx s HIS -11 N -2.68 3.25 -0.64 4.41 4.02 -1.26 -5.03 115.29 117.37 3bjx s HIS -11 Ca -0.05 0.11 0.05 0.00 1.02 0.00 0.00 55.06 56.19 3bjx s HIS -11 Cb 0.06 -2.30 0.31 0.00 -1.02 0.00 0.00 32.58 29.63 3bjx s HIS -11 CO 0.49 -0.06 0.95 0.72 1.02 0.00 0.00 174.74 177.86 3bjx n HIS -10 N 4.64 3.80 -1.63 1.40 -0.00 -1.26 -5.05 115.22 117.11 3bjx n HIS -10 Ca -0.15 -3.92 -0.43 0.00 -0.00 0.00 0.00 57.72 53.22 3bjx n HIS -10 Cb 0.52 -0.58 -0.00 0.00 -0.00 0.00 0.00 29.99 29.93 3bjx n HIS -10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3bjx n SER -9 N 0.18 1.72 -4.32 0.41 7.64 -1.26 -5.04 113.62 112.95 3bjx n SER -9 Ca 0.31 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 61.04 3bjx n SER -9 Cb 0.39 -1.37 0.20 0.00 -1.01 0.00 0.00 64.21 62.41 3bjx n SER -9 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bjx s SER -8 N -0.55 2.11 0.00 6.43 1.04 -1.26 -4.95 113.70 116.52 3bjx s SER -8 Ca 0.59 0.85 0.18 0.00 0.48 0.00 0.00 55.95 58.05 3bjx s SER -8 Cb -0.61 -1.29 1.06 0.00 0.10 0.00 0.00 66.02 65.28 3bjx s SER -8 CO 0.59 -3.41 1.65 0.61 0.98 0.00 0.00 173.24 173.66 3bjx n GLY -7 N -1.43 -0.95 0.07 7.32 0.00 -1.26 -2.83 105.19 106.11 3bjx n GLY -7 Ca 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3bjx n GLY -7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjx n LEU -6 N -0.79 0.36 -3.97 0.99 4.32 -1.26 -4.82 117.00 111.84 3bjx n LEU -6 Ca 0.13 0.58 -0.09 0.00 -0.02 0.00 0.00 56.01 56.61 3bjx n LEU -6 Cb 0.06 -0.52 -0.11 0.00 -1.62 0.00 0.00 43.42 41.24 3bjx n LEU -6 CO 0.10 -0.36 -0.32 0.54 -1.22 0.00 0.00 177.39 176.14 3bjx s VAL -5 N -3.15 0.12 0.50 4.08 0.11 -1.13 -5.14 120.40 115.79 3bjx s VAL -5 Ca 0.07 -0.96 -0.22 0.00 -2.93 0.00 0.00 61.98 57.93 3bjx s VAL -5 Cb 0.10 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.45 3bjx s VAL -5 CO 0.37 -0.53 1.28 -2.84 -3.33 0.00 0.00 175.10 170.05 3bjx s PRO -4 N -1.74 3.44 0.00 1.54 0.02 -1.26 -4.84 135.00 132.15 3bjx s PRO -4 Ca -0.13 2.05 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3bjx s PRO -4 Cb -0.07 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3bjx s PRO -4 CO -0.02 -0.90 0.95 -2.13 -0.33 0.00 0.00 177.00 174.58 3bjx n ARG -3 N -0.74 0.00 -0.16 5.54 0.63 -1.26 -2.29 116.66 118.38 3bjx n ARG -3 Ca 0.09 0.95 -0.03 0.00 -0.92 0.00 0.00 57.85 57.94 3bjx n ARG -3 Cb 0.46 -1.44 0.03 0.00 0.45 0.00 0.00 32.46 31.95 3bjx n ARG -3 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bjx n GLY -2 N -1.00 2.26 0.26 5.14 0.00 -1.26 -4.50 105.19 106.08 3bjx n GLY -2 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.17 0.23 0.00 1.61 0.02 -1.85 -3.37 113.55 110.36 3bjx h SER -1 Ca 0.07 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3bjx h SER -1 Cb 1.19 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 3bjx h SER -1 CO 0.14 0.31 0.17 0.00 -1.14 0.00 0.00 176.83 176.30 3bjx n HIS 0 N -4.36 0.00 0.00 3.45 1.44 -1.26 -3.79 115.22 110.69 3bjx n HIS 0 Ca -0.00 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 3bjx n HIS 0 Cb 0.20 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 29.96 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 2.35 0.00 -2.57 0.61 -2.24 -1.26 -4.72 114.28 106.45 3bjx n THR 2 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3bjx n THR 2 Cb 0.04 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 6.72 0.34 3.42 3.84 -1.25 -4.89 114.94 123.12 3bjx s ASN 3 Ca 0.00 0.80 0.26 0.00 0.21 0.00 0.00 52.86 54.13 3bjx s ASN 3 Cb 0.00 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.33 3bjx s ASN 3 CO 0.00 -1.12 1.79 1.55 -2.79 0.00 0.00 177.10 176.53 3bjx h PRO 4 N 8.97 0.00 0.00 0.43 0.13 -1.93 -1.51 132.00 138.08 3bjx h PRO 4 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3bjx h PRO 4 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3bjx h PRO 4 CO 1.08 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 178.13 3bjx n ALA 5 N -1.84 4.08 -2.67 -0.56 0.00 -1.26 -4.83 120.51 113.42 3bjx n ALA 5 Ca 0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 3bjx n ALA 5 Cb 0.19 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.00 3.62 -0.01 0.00 5.04 -0.57 -4.49 117.35 117.94 3bjx s TYR 6 Ca 0.10 0.77 0.05 0.00 -2.44 0.00 0.00 57.07 55.54 3bjx s TYR 6 Cb 0.17 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 3bjx s TYR 6 CO 0.77 0.55 -0.15 0.12 -1.34 0.00 0.00 175.55 175.50 3bjx s PHE 7 N -0.61 1.39 -0.03 4.97 5.36 -1.26 -4.84 117.98 122.96 3bjx s PHE 7 Ca 0.20 -0.26 -0.34 0.00 -0.96 0.00 0.00 56.93 55.56 3bjx s PHE 7 Cb -0.14 -0.89 -0.12 0.00 -0.34 0.00 0.00 43.02 41.52 3bjx s PHE 7 CO 0.08 -0.03 1.82 -0.35 -1.46 0.00 0.00 175.22 175.29 3bjx n PRO 8 N 2.71 2.20 -3.72 10.12 -0.04 -1.26 -4.94 135.00 140.08 3bjx n PRO 8 Ca -0.14 0.81 -0.08 0.00 -0.04 0.00 0.00 63.50 64.04 3bjx n PRO 8 Cb 0.55 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 3bjx n PRO 8 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3bjx s GLN 9 N 3.38 1.56 -0.30 0.54 -2.07 -1.26 -4.57 119.66 116.95 3bjx s GLN 9 Ca 0.89 -0.79 -0.06 0.00 -1.82 0.00 0.00 55.36 53.58 3bjx s GLN 9 Cb -0.68 0.58 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 3bjx s GLN 9 CO 0.48 -0.71 0.06 -1.17 -1.32 0.00 0.00 175.29 172.63 3bjx s LEU 10 N -2.86 3.84 0.67 2.60 2.96 0.81 -4.92 118.68 121.78 3bjx s LEU 10 Ca 0.08 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 53.02 3bjx s LEU 10 Cb -0.04 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3bjx s LEU 10 CO 0.01 -0.21 1.06 -0.94 -1.32 0.00 0.00 176.35 174.95 3bjx s SER 11 N 1.44 5.42 0.53 3.68 1.04 -1.26 -4.70 113.70 119.85 3bjx s SER 11 Ca 0.01 1.70 0.25 0.00 0.48 0.00 0.00 55.95 58.39 3bjx s SER 11 Cb -0.18 -2.51 1.47 0.00 0.10 0.00 0.00 66.02 64.90 3bjx s SER 11 CO 0.01 -1.41 2.12 1.56 0.98 0.00 0.00 173.24 176.50 3bjx h GLN 12 N -0.38 0.00 0.04 4.02 4.20 -1.96 -2.50 115.11 118.54 3bjx h GLN 12 Ca -0.45 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.01 3bjx h GLN 12 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3bjx h GLN 12 CO 0.56 0.09 -1.25 1.25 -0.67 0.00 0.00 178.83 178.81 3bjx h LEU 13 N 0.00 0.15 0.00 1.46 5.85 -2.04 -3.36 115.31 117.36 3bjx h LEU 13 Ca -0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3bjx h LEU 13 Cb 0.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3bjx h LEU 13 CO 0.01 1.15 -0.83 0.44 -0.34 0.00 0.00 178.44 178.87 3bjx h ASP 14 N 0.03 0.00 -3.85 1.25 3.32 -1.83 -3.46 116.42 111.87 3bjx h ASP 14 Ca -0.12 -0.10 -0.52 0.00 0.02 0.00 0.00 57.03 56.31 3bjx h ASP 14 Cb 1.89 0.00 0.05 0.00 0.22 0.00 0.00 39.33 41.49 3bjx h ASP 14 CO 0.14 0.05 0.60 0.54 -1.72 0.00 0.00 179.24 178.85 3bjx s VAL 15 N -3.28 2.92 0.27 -1.35 0.11 -0.98 -4.97 120.40 113.13 3bjx s VAL 15 Ca 0.02 0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 59.89 3bjx s VAL 15 Cb 0.11 -3.59 -0.00 0.00 -1.53 0.00 0.00 36.38 31.37 3bjx s VAL 15 CO 0.76 0.22 0.49 -0.94 -3.33 0.00 0.00 175.10 172.30 3bjx s SER 16 N -0.58 0.07 0.56 3.54 1.04 -1.26 -4.67 113.70 112.41 3bjx s SER 16 Ca 0.48 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3bjx s SER 16 Cb -0.38 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3bjx s SER 16 CO 0.50 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3bjx n GLY 17 N -0.42 0.29 0.77 7.32 0.00 -1.26 -3.14 105.19 108.75 3bjx n GLY 17 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 0.00 1.61 2.13 -1.26 -2.77 120.64 120.35 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 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.13 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 0.20 0.00 0.09 5.31 2.13 -1.19 -1.65 120.64 125.53 3bjx n GLU 20 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3bjx n GLU 20 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 3bjx n GLU 20 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3bjx h SER 21 N 0.00 0.14 0.38 4.31 4.64 -1.85 -2.73 113.55 118.45 3bjx h SER 21 Ca 0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3bjx h SER 21 Cb 0.00 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3bjx h SER 21 CO 0.00 0.95 -0.44 0.74 -0.87 0.00 0.00 176.83 177.21 3bjx h THR 22 N 0.05 0.12 -0.48 2.95 2.02 -1.60 -0.47 112.91 115.50 3bjx h THR 22 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 3bjx h THR 22 Cb 1.53 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 67.96 3bjx h THR 22 CO 0.13 0.00 -0.34 1.88 0.37 0.00 0.00 175.52 177.56 3bjx h TYR 23 N -0.85 -0.95 -0.32 3.16 -1.99 -1.84 -0.23 116.97 113.94 3bjx h TYR 23 Ca -0.03 0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3bjx h TYR 23 Cb 0.77 0.49 -0.02 0.00 2.00 0.00 0.00 36.73 39.97 3bjx h TYR 23 CO -0.26 -0.39 0.18 1.49 -0.00 0.00 0.00 178.16 179.19 3bjx h GLU 24 N -0.22 0.37 -0.66 4.88 4.57 -1.45 -2.02 114.58 120.05 3bjx h GLU 24 Ca 0.19 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3bjx h GLU 24 Cb 0.55 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3bjx h GLU 24 CO -0.60 0.24 0.44 0.22 -1.18 0.00 0.00 179.01 178.13 3bjx h ASP 25 N 0.38 0.75 -0.68 1.04 3.58 -0.79 -0.24 116.42 120.47 3bjx h ASP 25 Ca 0.13 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3bjx h ASP 25 Cb 0.01 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3bjx h ASP 25 CO -0.06 0.54 0.24 0.40 -2.88 0.00 0.00 179.24 177.48 3bjx h ILE 26 N 0.88 1.25 -0.35 2.25 2.04 -0.59 -0.52 117.51 122.48 3bjx h ILE 26 Ca 0.25 -0.81 -0.16 0.00 1.00 0.00 0.00 64.86 65.13 3bjx h ILE 26 Cb -0.08 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3bjx h ILE 26 CO -0.06 0.32 -0.40 0.03 0.00 0.00 0.00 178.15 178.04 3bjx h ARG 27 N 0.97 0.89 -0.18 2.37 3.08 -0.64 -1.63 114.38 119.23 3bjx h ARG 27 Ca 0.22 -0.49 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 3bjx h ARG 27 Cb 0.25 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3bjx h ARG 27 CO -0.01 1.14 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.80 3bjx h LEU 28 N 0.69 0.45 -0.14 3.04 3.38 -0.96 0.28 115.31 122.04 3bjx h LEU 28 Ca 0.05 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3bjx h LEU 28 Cb 1.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3bjx h LEU 28 CO 0.10 0.82 -0.05 0.74 0.09 0.00 0.00 178.44 180.13 3bjx h THR 29 N 0.09 1.30 0.00 0.22 2.02 -1.16 0.21 112.91 115.59 3bjx h THR 29 Ca 0.03 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3bjx h THR 29 Cb 0.68 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3bjx h THR 29 CO 0.04 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.41 3bjx n LEU 30 N -4.68 0.66 -2.87 2.58 4.77 -0.61 -4.79 117.00 112.05 3bjx n LEU 30 Ca -0.06 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3bjx n LEU 30 Cb 0.27 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3bjx n LEU 30 CO 0.37 -0.16 0.08 0.54 -1.33 0.00 0.00 177.39 176.89 3bjx n ARG 31 N -2.12 -5.05 -4.53 3.23 1.74 -0.14 -4.98 116.66 104.82 3bjx n ARG 31 Ca 0.06 0.65 -0.21 0.00 -0.77 0.00 0.00 57.85 57.58 3bjx n ARG 31 Cb 0.41 -5.09 -0.15 0.00 -1.02 0.00 0.00 32.46 26.61 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 -3.28 1.05 -1.10 1.55 -7.23 -0.10 -4.84 120.40 106.46 3bjx s VAL 32 Ca 0.01 -0.68 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 3bjx s VAL 32 Cb -0.00 -0.90 0.29 0.00 0.56 0.00 0.00 36.38 36.33 3bjx s VAL 32 CO 0.56 0.21 1.04 -0.81 -0.31 0.00 0.00 175.10 175.79 3bjx n PRO 33 N 2.52 2.22 -3.70 4.82 -0.04 -1.26 -4.57 135.00 134.99 3bjx n PRO 33 Ca -0.15 -1.12 -0.14 0.00 -0.04 0.00 0.00 63.50 62.04 3bjx n PRO 33 Cb 0.55 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.65 -0.37 -0.14 0.54 -2.14 -1.26 -1.14 118.94 112.77 3bjx s TRP 34 Ca 0.20 0.71 -0.29 0.00 2.66 0.00 0.00 56.10 59.37 3bjx s TRP 34 Cb 0.14 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.68 3bjx s TRP 34 CO 0.08 -0.39 1.04 0.08 -2.66 0.00 0.00 176.95 175.09 3bjx s VAL 35 N -0.86 4.70 0.43 -0.66 1.01 -1.26 -4.82 120.40 118.93 3bjx s VAL 35 Ca -0.09 2.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 3bjx s VAL 35 Cb -0.04 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 3bjx s VAL 35 CO 0.04 -0.06 0.98 0.00 0.00 0.00 0.00 175.10 176.07 3bjx n ALA 36 N 5.49 0.08 -0.27 5.51 0.00 -1.26 -4.78 120.51 125.28 3bjx n ALA 36 Ca 0.10 0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.86 3bjx n ALA 36 Cb 0.48 -2.06 0.35 0.00 0.00 0.00 0.00 19.45 18.21 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 1.45 0.86 -0.92 0.00 3.57 -1.96 -0.42 116.94 119.52 3bjx h PHE 37 Ca -0.44 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 3bjx h PHE 37 Cb 1.34 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3bjx h PHE 37 CO 0.43 0.35 0.55 0.78 -2.23 0.00 0.00 178.31 178.19 3bjx h GLY 38 N 0.76 1.34 1.71 2.40 0.00 -1.99 -1.79 103.07 105.49 3bjx h GLY 38 Ca 0.43 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3bjx h GLY 38 CO -0.19 0.54 -0.40 0.00 0.00 0.00 0.00 176.54 176.49 3bjx h ARG 40 N 0.27 0.30 -0.21 0.00 3.08 -0.56 -1.13 114.38 116.13 3bjx h ARG 40 Ca 0.03 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3bjx h ARG 40 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3bjx h ARG 40 CO 0.07 0.69 -0.20 0.28 -1.07 0.00 0.00 179.97 179.74 3bjx h VAL 41 N 0.25 1.32 0.00 2.04 2.07 -1.36 0.23 116.25 120.80 3bjx h VAL 41 Ca 0.02 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3bjx h VAL 41 Cb 0.88 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3bjx h VAL 41 CO 0.07 0.41 -0.03 -0.07 0.02 0.00 0.00 177.57 177.97 3bjx h LEU 42 N 0.19 0.00 -0.64 2.57 3.38 -1.30 -1.39 115.31 118.12 3bjx h LEU 42 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bjx h LEU 42 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3bjx h LEU 42 CO 0.05 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3bjx n ALA 43 N -2.35 1.46 0.56 1.53 0.00 -0.44 -2.54 120.51 118.73 3bjx n ALA 43 Ca -0.03 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3bjx n ALA 43 Cb 0.12 -1.30 0.24 0.00 0.00 0.00 0.00 19.45 18.51 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 0.00 0.00 -3.54 0.00 1.35 -1.35 -3.44 112.91 105.94 3bjx h THR 44 Ca 0.00 -0.52 -0.60 0.00 -0.55 0.00 0.00 66.41 64.74 3bjx h THR 44 Cb 0.23 1.24 -0.10 0.00 -1.73 0.00 0.00 68.15 67.78 3bjx h THR 44 CO 0.00 0.00 0.51 -0.36 -0.25 0.00 0.00 175.52 175.42 3bjx s PHE 45 N -3.15 3.06 0.15 4.73 0.08 -1.05 -5.01 117.98 116.77 3bjx s PHE 45 Ca 0.07 0.59 -0.34 0.00 0.12 0.00 0.00 56.93 57.37 3bjx s PHE 45 Cb 0.13 -3.62 -0.15 0.00 -0.57 0.00 0.00 43.02 38.81 3bjx s PHE 45 CO 0.68 -0.85 1.50 -0.35 -0.10 0.00 0.00 175.22 176.10 3bjx n PRO 46 N 6.72 1.88 0.00 0.24 -0.04 -1.26 -2.69 135.00 139.85 3bjx n PRO 46 Ca 0.05 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3bjx n PRO 46 Cb 0.48 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3bjx n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bjx n GLY 47 N 3.12 2.11 0.21 0.55 0.00 -1.26 -4.87 105.19 105.06 3bjx n GLY 47 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.48 -0.39 1.61 3.20 -1.81 -3.29 116.97 115.81 3bjx h TYR 48 Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 3bjx h TYR 48 Cb 0.00 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 3bjx h TYR 48 CO 0.00 -0.30 -0.13 1.25 -1.64 0.00 0.00 178.16 177.34 3bjx h LEU 49 N -0.75 -0.48 0.19 2.82 5.85 -1.76 0.16 115.31 121.35 3bjx h LEU 49 Ca -0.05 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3bjx h LEU 49 Cb 0.39 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3bjx h LEU 49 CO 0.09 -0.17 -0.31 -0.65 -0.34 0.00 0.00 178.44 177.06 3bjx h PRO 50 N -0.05 -0.55 -0.32 5.25 0.11 -1.95 0.49 132.00 134.98 3bjx h PRO 50 Ca 0.19 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.39 3bjx h PRO 50 Cb 0.34 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.50 3bjx h PRO 50 CO -0.43 -0.37 -0.51 1.25 -0.21 0.00 0.00 178.00 177.73 3bjx h LEU 51 N -0.57 -1.68 -0.57 2.35 5.85 -1.59 0.18 115.31 119.28 3bjx h LEU 51 Ca 0.01 0.22 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3bjx h LEU 51 Cb 0.57 0.69 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 3bjx h LEU 51 CO -0.14 -0.42 0.05 0.00 -0.34 0.00 0.00 178.44 177.59 3bjx h ALA 52 N 0.02 0.60 0.27 1.25 0.00 -0.36 -1.45 119.26 119.59 3bjx h ALA 52 Ca 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3bjx h ALA 52 Cb 0.62 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3bjx h ALA 52 CO -0.54 -0.36 -0.13 2.35 0.00 0.00 0.00 179.25 180.57 3bjx h TRP 53 N 0.17 -0.34 -0.76 0.00 2.91 0.34 -2.46 115.95 115.82 3bjx h TRP 53 Ca 0.30 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.46 3bjx h TRP 53 Cb 0.45 0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.17 3bjx h TRP 53 CO -0.30 -0.21 0.51 0.00 -1.03 0.00 0.00 178.44 177.41 3bjx h ARG 54 N -0.36 0.40 0.00 2.65 3.08 0.09 0.63 114.38 120.86 3bjx h ARG 54 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3bjx h ARG 54 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3bjx h ARG 54 CO 0.06 0.26 -0.10 0.00 -1.07 0.00 0.00 179.97 179.12 3bjx h ARG 55 N 0.41 0.00 0.00 0.04 2.47 -1.14 -3.36 114.38 112.80 3bjx h ARG 55 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 3bjx h ARG 55 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3bjx h ARG 55 CO -0.12 0.00 -1.50 0.43 0.56 0.00 0.00 179.97 179.34 3bjx n SER 56 N -2.58 2.36 -0.17 7.04 7.64 -0.16 -3.83 113.62 123.93 3bjx n SER 56 Ca 0.05 -0.01 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 3bjx n SER 56 Cb 0.47 1.51 0.07 0.00 -1.01 0.00 0.00 64.21 65.26 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 1.05 0.59 -0.53 -0.43 0.00 -1.11 -2.37 119.26 116.46 3bjx h ALA 57 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3bjx h ALA 57 Cb 0.52 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3bjx h ALA 57 CO 0.00 -0.30 0.18 1.49 0.00 0.00 0.00 179.25 180.61 3bjx h GLU 58 N 0.24 0.81 -0.59 0.00 4.81 -1.86 -2.46 114.58 115.53 3bjx h GLU 58 Ca 0.26 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3bjx h GLU 58 Cb 0.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3bjx h GLU 58 CO -0.34 0.74 0.39 0.00 -0.73 0.00 0.00 179.01 179.07 3bjx h ALA 59 N 1.03 1.63 -0.01 2.92 0.00 -1.72 -3.09 119.26 120.02 3bjx h ALA 59 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bjx h ALA 59 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bjx h ALA 59 CO -0.01 0.33 -0.03 1.28 0.00 0.00 0.00 179.25 180.82 3bjx n LEU 60 N -4.46 1.48 -0.49 0.00 4.77 -0.92 -3.15 117.00 114.23 3bjx n LEU 60 Ca 0.06 -0.49 0.11 0.00 -0.03 0.00 0.00 56.01 55.67 3bjx n LEU 60 Cb 0.08 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3bjx n LEU 60 CO 0.35 0.25 0.39 2.30 -1.33 0.00 0.00 177.39 179.35 3bjx n ILE 61 N 0.11 0.00 -2.09 -0.08 -6.64 -0.99 -4.77 119.36 104.90 3bjx n ILE 61 Ca 0.18 -0.26 -0.34 0.00 -1.77 0.00 0.00 62.75 60.56 3bjx n ILE 61 Cb 0.36 1.14 0.02 0.00 -1.44 0.00 0.00 39.64 39.72 3bjx n ILE 61 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 3bjx s THR 62 N -2.44 3.23 0.46 7.28 -4.23 -1.19 -0.32 115.64 118.43 3bjx s THR 62 Ca 0.20 0.69 0.19 0.00 -1.18 0.00 0.00 61.69 61.59 3bjx s THR 62 Cb 0.18 -3.23 0.37 0.00 1.34 0.00 0.00 72.50 71.16 3bjx s THR 62 CO 0.54 -0.24 1.94 -0.09 -0.54 0.00 0.00 174.62 176.24 3bjx h ARG 63 N 0.78 0.28 -0.21 3.99 9.65 -0.26 -1.96 114.38 126.66 3bjx h ARG 63 Ca -0.49 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.42 3bjx h ARG 63 Cb 1.25 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 3bjx h ARG 63 CO 0.56 0.19 -0.06 -0.92 2.80 0.00 0.00 179.97 182.54 3bjx h TYR 64 N 0.29 -0.14 -0.35 2.20 3.20 -1.49 0.25 116.97 120.94 3bjx h TYR 64 Ca 0.33 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.23 3bjx h TYR 64 Cb 0.90 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 3bjx h TYR 64 CO -0.00 -0.10 0.22 0.00 -1.64 0.00 0.00 178.16 176.63 3bjx h ALA 65 N 1.19 0.44 -0.57 1.82 0.00 -1.58 0.24 119.26 120.80 3bjx h ALA 65 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3bjx h ALA 65 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3bjx h ALA 65 CO -0.22 -0.12 0.34 1.49 0.00 0.00 0.00 179.25 180.73 3bjx h GLU 66 N 0.44 0.65 -0.51 0.00 4.57 -1.22 0.90 114.58 119.42 3bjx h GLU 66 Ca 0.13 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3bjx h GLU 66 Cb -0.03 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3bjx h GLU 66 CO -0.05 0.43 0.29 0.37 -1.18 0.00 0.00 179.01 178.87 3bjx h GLN 67 N 0.67 0.71 -0.74 1.92 5.75 -0.72 -1.84 115.11 120.87 3bjx h GLN 67 Ca 0.23 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3bjx h GLN 67 Cb 0.03 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 3bjx h GLN 67 CO -0.10 0.55 0.44 0.00 -2.65 0.00 0.00 178.83 177.07 3bjx h ALA 68 N 1.12 0.95 -0.54 3.38 0.00 0.07 -2.14 119.26 122.09 3bjx h ALA 68 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3bjx h ALA 68 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3bjx h ALA 68 CO -0.03 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 3bjx h ALA 69 N 1.23 0.92 -0.62 0.00 0.00 -0.64 -2.70 119.26 117.45 3bjx h ALA 69 Ca 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3bjx h ALA 69 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3bjx h ALA 69 CO -0.05 0.64 0.24 -0.44 0.00 0.00 0.00 179.25 179.64 3bjx h ASP 70 N 0.86 0.82 0.87 0.00 3.32 -1.10 0.16 116.42 121.36 3bjx h ASP 70 Ca 0.15 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3bjx h ASP 70 Cb 0.56 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3bjx h ASP 70 CO 0.03 0.74 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.75 3bjx h GLU 71 N 0.88 -1.18 -0.74 3.56 4.81 -1.21 -0.58 114.58 120.13 3bjx h GLU 71 Ca 0.21 0.08 0.16 0.00 -0.13 0.00 0.00 59.36 59.68 3bjx h GLU 71 Cb 0.17 0.27 -0.12 0.00 0.63 0.00 0.00 28.75 29.71 3bjx h GLU 71 CO -0.02 -0.79 0.12 -0.07 -0.73 0.00 0.00 179.01 177.52 3bjx h LEU 72 N -1.23 -0.11 -0.12 1.64 3.38 -1.32 -0.07 115.31 117.48 3bjx h LEU 72 Ca -0.12 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3bjx h LEU 72 Cb 0.96 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3bjx h LEU 72 CO 0.17 -0.09 -0.07 -0.09 0.09 0.00 0.00 178.44 178.45 3bjx h ARG 73 N 0.20 -0.06 -0.29 1.13 2.43 -0.58 -2.87 114.38 114.35 3bjx h ARG 73 Ca 0.41 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3bjx h ARG 73 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3bjx h ARG 73 CO -0.56 -0.04 -0.10 1.49 -1.51 0.00 0.00 179.97 179.25 3bjx h GLU 74 N -0.06 0.48 0.00 0.20 4.81 0.11 -2.78 114.58 117.34 3bjx h GLU 74 Ca 0.07 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3bjx h GLU 74 Cb 0.17 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3bjx h GLU 74 CO -0.16 0.58 -0.09 0.00 -0.73 0.00 0.00 179.01 178.61 3bjx h ARG 75 N 0.45 0.00 0.00 1.92 3.08 -0.88 -3.30 114.38 115.64 3bjx h ARG 75 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3bjx h ARG 75 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3bjx h ARG 75 CO 0.02 0.09 -0.09 0.77 -1.07 0.00 0.00 179.97 179.69 3bjx h SER 76 N 0.00 0.00 -3.10 7.04 0.02 -1.28 -3.44 113.55 112.79 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 0.42 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.02 3bjx h SER 76 CO 0.01 0.09 0.88 -0.76 -1.14 0.00 0.00 176.83 175.91 3bjx s LEU 77 N -6.52 4.37 0.65 5.07 1.43 -1.25 -4.79 118.68 117.64 3bjx s LEU 77 Ca 0.00 2.79 -0.07 0.00 -1.03 0.00 0.00 54.13 55.82 3bjx s LEU 77 Cb 0.10 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.73 3bjx s LEU 77 CO 0.58 -0.85 0.97 -0.76 0.23 0.00 0.00 176.35 176.52 3bjx s LEU 78 N 0.23 3.04 -0.58 1.79 1.43 -1.26 -5.05 118.68 118.28 3bjx s LEU 78 Ca 0.66 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 3bjx s LEU 78 Cb -0.46 -3.47 0.15 0.00 0.03 0.00 0.00 46.19 42.45 3bjx s LEU 78 CO 0.40 -1.29 0.36 0.21 0.23 0.00 0.00 176.35 176.26 3bjx s ASN 79 N -4.38 4.23 0.46 2.29 3.84 -1.26 -5.08 114.94 115.03 3bjx s ASN 79 Ca 0.57 -3.32 0.05 0.00 0.21 0.00 0.00 52.86 50.37 3bjx s ASN 79 Cb -0.11 -1.46 -0.03 0.00 -0.55 0.00 0.00 41.25 39.10 3bjx s ASN 79 CO 0.46 -0.17 0.15 -0.63 -2.79 0.00 0.00 177.10 174.12 3bjx s ILE 80 N -0.67 1.87 0.00 -5.21 1.01 -1.26 -5.14 121.20 111.80 3bjx s ILE 80 Ca 0.22 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 59.08 3bjx s ILE 80 Cb -0.14 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3bjx s ILE 80 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.47 3bjx n GLY 81 N -1.29 -2.24 3.75 6.18 0.00 -1.26 -4.90 105.19 105.44 3bjx n GLY 81 Ca -0.06 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 2.85 -0.01 1.61 0.04 -1.26 -5.02 135.00 133.21 3bjx s PRO 82 Ca 0.00 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3bjx s PRO 82 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3bjx s PRO 82 CO 0.00 -1.30 0.14 -0.51 0.04 0.00 0.00 177.00 175.38 3bjx s LEU 83 N -4.26 4.20 0.33 -3.56 1.43 -1.26 -5.08 118.68 110.48 3bjx s LEU 83 Ca 0.77 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 3bjx s LEU 83 Cb -0.30 -2.47 -0.12 0.00 0.03 0.00 0.00 46.19 43.34 3bjx s LEU 83 CO 0.35 0.27 1.50 -0.81 0.23 0.00 0.00 176.35 177.89 3bjx n PRO 84 N 1.07 2.56 -2.56 1.29 -0.04 -1.26 -4.92 135.00 131.13 3bjx n PRO 84 Ca -0.12 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 3bjx n PRO 84 Cb 0.53 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 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 0.12 6.24 0.22 3.54 3.84 -1.26 -4.72 114.94 122.92 3bjx s ASN 85 Ca 0.59 -0.30 0.18 0.00 0.21 0.00 0.00 52.86 53.53 3bjx s ASN 85 Cb -0.51 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 37.67 3bjx s ASN 85 CO 0.57 -1.73 1.22 0.25 -2.79 0.00 0.00 177.10 174.61 3bjx h LEU 86 N 12.69 0.00 0.43 3.21 5.85 -1.82 -0.83 115.31 134.84 3bjx h LEU 86 Ca -0.27 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3bjx h LEU 86 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3bjx h LEU 86 CO 1.25 0.38 -0.24 0.11 -0.34 0.00 0.00 178.44 179.60 3bjx h LYS 87 N 0.00 -0.60 -0.51 1.25 1.57 -1.79 -1.33 116.57 115.17 3bjx h LYS 87 Ca -0.05 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3bjx h LYS 87 Cb 1.33 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 3bjx h LYS 87 CO 0.04 -0.40 0.35 0.93 -0.57 0.00 0.00 179.45 179.80 3bjx h GLU 88 N -0.62 0.21 -0.35 3.15 4.39 -1.95 -0.99 114.58 118.42 3bjx h GLU 88 Ca -0.06 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 3bjx h GLU 88 Cb 0.49 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3bjx h GLU 88 CO 0.07 0.14 -0.37 -0.09 -1.16 0.00 0.00 179.01 177.60 3bjx h ARG 89 N 0.22 0.86 -0.23 2.33 9.65 -1.16 -2.79 114.38 123.26 3bjx h ARG 89 Ca 0.24 -0.47 -0.15 0.00 -1.10 0.00 0.00 59.98 58.50 3bjx h ARG 89 Cb 0.65 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 3bjx h ARG 89 CO -0.04 1.11 -0.48 -0.07 2.80 0.00 0.00 179.97 183.29 3bjx h LEU 90 N 0.66 0.65 -0.41 3.80 3.38 -0.26 -1.50 115.31 121.63 3bjx h LEU 90 Ca 0.05 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3bjx h LEU 90 Cb 0.96 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 3bjx h LEU 90 CO 0.09 1.02 -0.49 1.88 0.09 0.00 0.00 178.44 181.03 3bjx h TYR 91 N 0.47 -1.51 -0.19 1.13 0.05 -1.27 -1.93 116.97 113.73 3bjx h TYR 91 Ca 0.03 0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.94 3bjx h TYR 91 Cb 1.01 0.71 -0.01 0.00 1.01 0.00 0.00 36.73 39.45 3bjx h TYR 91 CO 0.04 -0.42 0.14 0.00 -1.05 0.00 0.00 178.16 176.87 3bjx h ALA 92 N -0.15 2.14 -0.16 3.88 0.00 -1.28 0.16 119.26 123.85 3bjx h ALA 92 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3bjx h ALA 92 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3bjx h ALA 92 CO -0.55 -0.23 -0.23 0.00 0.00 0.00 0.00 179.25 178.24 3bjx h ALA 93 N 1.90 1.31 0.00 0.00 0.00 -0.80 -3.47 119.26 118.21 3bjx h ALA 93 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3bjx h ALA 93 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bjx h ALA 93 CO -0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3bjx n GLY 94 N -0.58 1.48 3.71 0.00 0.00 0.55 -5.10 105.19 105.24 3bjx n GLY 94 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.48 3.25 0.57 1.61 0.08 -0.77 -5.02 117.98 116.21 3bjx s PHE 95 Ca 0.00 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.29 3bjx s PHE 95 Cb 0.00 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3bjx s PHE 95 CO 0.00 0.47 0.80 0.16 -0.10 0.00 0.00 175.22 176.55 3bjx s ASP 96 N -0.74 5.15 0.51 1.36 1.47 -1.26 -4.15 116.67 119.01 3bjx s ASP 96 Ca 0.12 -0.12 0.15 0.00 1.18 0.00 0.00 52.55 53.88 3bjx s ASP 96 Cb -0.12 -0.69 1.22 0.00 -0.34 0.00 0.00 42.92 42.99 3bjx s ASP 96 CO 0.02 -1.24 2.13 0.44 0.68 0.00 0.00 175.17 177.20 3bjx h ASP 97 N 0.02 0.02 -0.10 2.11 5.19 -2.00 -0.93 116.42 120.73 3bjx h ASP 97 Ca -0.41 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.93 3bjx h ASP 97 Cb 1.29 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 3bjx h ASP 97 CO 0.50 0.04 -0.15 1.23 -3.12 0.00 0.00 179.24 177.73 3bjx h GLY 98 N 0.09 0.50 1.46 2.75 0.00 -1.99 -1.64 103.07 104.24 3bjx h GLY 98 Ca 0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 47.33 46.69 3bjx h GLY 98 CO 0.00 0.33 -1.37 0.83 0.00 0.00 0.00 176.54 176.34 3bjx h GLU 99 N 0.43 0.23 0.00 4.80 5.08 -1.60 -3.10 114.58 120.42 3bjx h GLU 99 Ca 0.08 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 3bjx h GLU 99 Cb 0.52 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3bjx h GLU 99 CO 0.03 1.13 -0.28 0.82 -1.00 0.00 0.00 179.01 179.71 3bjx h ILE 100 N 0.06 0.92 -0.23 3.13 2.04 -1.28 -2.58 117.51 119.57 3bjx h ILE 100 Ca -0.18 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.50 3bjx h ILE 100 Cb 1.98 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 3bjx h ILE 100 CO 0.18 0.27 -0.37 -0.08 0.00 0.00 0.00 178.15 178.15 3bjx h GLU 101 N 0.00 0.52 -0.32 2.37 4.57 -1.26 0.01 114.58 120.47 3bjx h GLU 101 Ca -0.00 -0.25 -0.16 0.00 -1.18 0.00 0.00 59.36 57.77 3bjx h GLU 101 Cb 0.60 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3bjx h GLU 101 CO 0.04 0.81 -0.43 0.87 -1.18 0.00 0.00 179.01 179.12 3bjx h LYS 102 N 0.44 0.81 0.16 1.92 1.79 -1.43 -0.42 116.57 119.84 3bjx h LYS 102 Ca 0.04 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 3bjx h LYS 102 Cb 0.85 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 3bjx h LYS 102 CO 0.07 1.08 -0.07 0.28 -1.08 0.00 0.00 179.45 179.72 3bjx h VAL 103 N 0.65 0.89 -0.57 0.50 2.07 -1.34 -2.86 116.25 115.59 3bjx h VAL 103 Ca 0.04 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3bjx h VAL 103 Cb 1.01 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 3bjx h VAL 103 CO 0.10 0.04 -0.15 -0.09 0.02 0.00 0.00 177.57 177.49 3bjx h ARG 104 N -0.29 -0.01 -0.92 1.57 2.43 -0.89 0.02 114.38 116.29 3bjx h ARG 104 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3bjx h ARG 104 Cb 0.23 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3bjx h ARG 104 CO 0.04 -0.00 0.54 0.00 -1.51 0.00 0.00 179.97 179.03 3bjx h ARG 105 N -0.01 1.26 0.23 0.20 3.08 -1.09 0.15 114.38 118.21 3bjx h ARG 105 Ca 0.27 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3bjx h ARG 105 Cb 0.42 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3bjx h ARG 105 CO -0.59 0.90 -0.11 0.28 -1.07 0.00 0.00 179.97 179.37 3bjx h VAL 106 N 1.28 0.83 -0.51 2.04 2.07 -1.17 -0.71 116.25 120.09 3bjx h VAL 106 Ca 0.33 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3bjx h VAL 106 Cb -0.03 1.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 3bjx h VAL 106 CO -0.06 0.11 -0.12 -0.07 0.02 0.00 0.00 177.57 177.44 3bjx h LEU 107 N -0.57 -0.47 -0.66 2.57 4.07 -0.83 -2.00 115.31 117.43 3bjx h LEU 107 Ca -0.03 0.15 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 3bjx h LEU 107 Cb 0.42 0.31 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 3bjx h LEU 107 CO 0.05 -0.17 -0.19 1.88 -1.08 0.00 0.00 178.44 178.94 3bjx h TYR 108 N 0.00 0.96 -0.74 1.13 -1.99 -0.63 0.17 116.97 115.87 3bjx h TYR 108 Ca 0.24 -0.21 0.02 0.00 2.00 0.00 0.00 58.73 60.78 3bjx h TYR 108 Cb 0.37 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 3bjx h TYR 108 CO -0.43 0.96 0.48 0.00 -0.00 0.00 0.00 178.16 179.17 3bjx h ALA 109 N 1.04 0.95 -0.11 3.88 0.00 -0.82 -1.23 119.26 122.97 3bjx h ALA 109 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3bjx h ALA 109 Cb 0.72 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3bjx h ALA 109 CO 0.06 0.31 -0.37 0.74 0.00 0.00 0.00 179.25 179.99 3bjx h PHE 110 N 0.96 0.59 -0.81 0.00 0.04 -1.06 -2.54 116.94 114.11 3bjx h PHE 110 Ca 0.28 -0.24 0.14 0.00 2.80 0.00 0.00 57.97 60.96 3bjx h PHE 110 Cb -0.05 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 37.91 3bjx h PHE 110 CO -0.03 0.98 0.39 -0.91 -0.60 0.00 0.00 178.31 178.13 3bjx h ASN 111 N 0.03 0.44 0.14 2.17 2.35 -0.60 0.10 115.58 120.20 3bjx h ASN 111 Ca -0.01 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3bjx h ASN 111 Cb 0.99 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3bjx h ASN 111 CO 0.08 0.18 -0.15 0.22 -1.65 0.00 0.00 177.43 176.11 3bjx h TYR 112 N 0.55 -0.38 0.00 1.19 3.20 -1.17 -3.36 116.97 117.00 3bjx h TYR 112 Ca 0.44 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.17 3bjx h TYR 112 Cb 0.64 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3bjx h TYR 112 CO -0.12 -0.22 -1.17 0.78 -1.64 0.00 0.00 178.16 175.79 3bjx h GLY 113 N -0.31 0.00 0.07 1.82 0.00 -1.02 -3.38 103.07 100.24 3bjx h GLY 113 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3bjx h GLY 113 CO -0.05 0.00 -0.15 3.43 0.00 0.00 0.00 176.54 179.77 3bjx h ASN 114 N 0.00 -0.53 0.42 0.19 2.35 -1.13 -1.44 115.58 115.43 3bjx h ASN 114 Ca -0.11 0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3bjx h ASN 114 Cb 1.51 0.32 -0.01 0.00 0.05 0.00 0.00 38.32 40.18 3bjx h ASN 114 CO 0.05 -0.19 -0.46 -0.65 -1.65 0.00 0.00 177.43 174.53 3bjx h PRO 115 N -0.06 0.05 -0.64 0.81 0.11 -1.78 -1.70 132.00 128.79 3bjx h PRO 115 Ca 0.21 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3bjx h PRO 115 Cb 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3bjx h PRO 115 CO -0.47 0.50 0.36 0.87 -0.21 0.00 0.00 178.00 179.06 3bjx h LYS 116 N 0.04 0.89 -0.04 1.05 1.57 -1.56 -2.38 116.57 116.16 3bjx h LYS 116 Ca -0.00 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3bjx h LYS 116 Cb 0.83 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3bjx h LYS 116 CO 0.06 0.67 -0.46 1.88 -0.57 0.00 0.00 179.45 181.03 3bjx h TYR 117 N 0.88 0.10 -0.95 -1.35 0.05 -0.86 -2.02 116.97 112.82 3bjx h TYR 117 Ca 0.23 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3bjx h TYR 117 Cb 0.03 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 3bjx h TYR 117 CO -0.01 0.53 0.58 1.25 -1.05 0.00 0.00 178.16 179.47 3bjx h LEU 118 N 0.07 1.13 0.12 3.88 5.85 -1.04 -0.96 115.31 124.36 3bjx h LEU 118 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3bjx h LEU 118 Cb 0.85 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3bjx h LEU 118 CO 0.06 0.86 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.89 3bjx h LEU 119 N 1.30 -0.14 -0.38 2.25 3.38 -1.15 -0.83 115.31 119.75 3bjx h LEU 119 Ca 0.34 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3bjx h LEU 119 Cb -0.08 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3bjx h LEU 119 CO -0.07 0.34 -0.35 0.25 0.09 0.00 0.00 178.44 178.70 3bjx h LEU 120 N -0.66 -1.15 -0.78 1.67 5.85 -1.38 0.21 115.31 119.06 3bjx h LEU 120 Ca -0.02 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3bjx h LEU 120 Cb 0.50 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 3bjx h LEU 120 CO 0.03 -0.34 0.50 0.40 -0.34 0.00 0.00 178.44 178.69 3bjx h ILE 121 N -0.28 1.12 -0.40 4.05 1.08 -1.22 0.19 117.51 122.03 3bjx h ILE 121 Ca 0.16 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3bjx h ILE 121 Cb 0.55 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3bjx h ILE 121 CO -0.53 0.18 0.06 0.74 -0.69 0.00 0.00 178.15 177.90 3bjx h THR 122 N 0.97 1.24 -0.18 -0.27 2.02 -0.88 0.48 112.91 116.29 3bjx h THR 122 Ca 0.31 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.65 3bjx h THR 122 Cb 0.02 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3bjx h THR 122 CO -0.11 0.30 -0.04 0.00 0.37 0.00 0.00 175.52 176.04 3bjx h ALA 123 N 0.92 0.13 -0.66 6.16 0.00 -0.06 0.16 119.26 125.90 3bjx h ALA 123 Ca 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3bjx h ALA 123 Cb 0.38 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3bjx h ALA 123 CO 0.01 -0.47 0.35 -0.07 0.00 0.00 0.00 179.25 179.06 3bjx h LEU 124 N 0.01 0.84 -0.20 0.00 3.38 -0.47 -2.78 115.31 116.08 3bjx h LEU 124 Ca 0.09 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3bjx h LEU 124 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3bjx h LEU 124 CO -0.18 0.71 -0.38 -1.28 0.09 0.00 0.00 178.44 177.39 3bjx h SER 125 N 0.90 0.68 -0.63 -0.43 0.87 0.49 -3.26 113.55 112.18 3bjx h SER 125 Ca 0.23 -0.54 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3bjx h SER 125 Cb 0.07 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3bjx h SER 125 CO -0.03 1.10 0.38 -0.33 -0.53 0.00 0.00 176.83 177.42 3bjx h GLU 126 N 0.29 0.85 -1.78 2.24 4.39 -0.73 -2.11 114.58 117.74 3bjx h GLU 126 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bjx h GLU 126 Cb 0.98 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3bjx h GLU 126 CO 0.09 0.60 0.00 -1.13 -1.16 0.00 0.00 179.01 177.41 3bjx n SER 127 N -4.60 1.97 0.00 1.42 3.41 -1.05 -0.99 113.62 113.77 3bjx n SER 127 Ca 0.05 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 3bjx n SER 127 Cb 0.05 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.29 0.00 0.00 4.33 6.02 -0.79 -3.21 117.38 125.02 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 0.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.49 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 -1.98 -1.09 1.74 -0.16 -5.07 116.66 110.10 3bjx n ARG 131 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 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 -3.15 4.25 -0.18 5.56 0.04 -1.26 -4.93 135.00 135.32 3bjx s PRO 132 Ca 0.00 2.36 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 3bjx s PRO 132 Cb 0.00 -3.06 0.05 0.00 0.04 0.00 0.00 34.50 31.53 3bjx s PRO 132 CO 0.00 -0.39 0.01 0.08 0.04 0.00 0.00 177.00 176.74 3bjx s VAL 133 N -0.59 0.70 0.00 -0.36 1.01 -1.26 -4.64 120.40 115.27 3bjx s VAL 133 Ca 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3bjx s VAL 133 Cb -0.43 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3bjx s VAL 133 CO 0.51 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3bjx n GLY 134 N 4.99 0.07 2.45 4.51 0.00 -0.96 -4.06 105.19 112.19 3bjx n GLY 134 Ca -0.09 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 0.86 3.86 -0.02 0.00 0.47 -4.71 105.19 105.65 3bjx n GLY 135 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.02 3.25 -0.41 4.61 0.00 -0.85 -4.87 121.76 121.47 3bjx s ALA 136 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 3bjx s ALA 136 Cb 0.00 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.29 3bjx s ALA 136 CO 0.00 -0.02 0.84 -2.00 0.00 0.00 0.00 175.76 174.58 3bjx s GLU 137 N -3.75 3.64 0.07 0.00 2.12 -1.26 -4.52 118.70 115.00 3bjx s GLU 137 Ca 0.54 0.23 0.01 0.00 0.36 0.00 0.00 54.97 56.11 3bjx s GLU 137 Cb -0.10 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 3bjx s GLU 137 CO 0.28 -1.01 -0.06 0.14 -0.54 0.00 0.00 175.26 174.07 3bjx s VAL 138 N 3.36 0.54 0.70 3.70 -7.23 -1.26 -5.08 120.40 115.13 3bjx s VAL 138 Ca 0.33 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 3bjx s VAL 138 Cb -0.12 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.63 3bjx s VAL 138 CO 0.21 -0.70 1.27 -0.94 -0.31 0.00 0.00 175.10 174.63 3bjx s SER 139 N -2.43 4.27 0.33 4.85 1.04 -1.26 -4.83 113.70 115.68 3bjx s SER 139 Ca 0.02 2.56 0.09 0.00 0.48 0.00 0.00 55.95 59.10 3bjx s SER 139 Cb -0.01 -2.61 0.82 0.00 0.10 0.00 0.00 66.02 64.32 3bjx s SER 139 CO -0.03 -2.22 1.80 -1.28 0.98 0.00 0.00 173.24 172.48 3bjx h SER 140 N 0.11 0.70 -0.29 7.02 0.87 -2.01 -2.26 113.55 117.69 3bjx h SER 140 Ca -0.50 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 3bjx h SER 140 Cb 1.33 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 3bjx h SER 140 CO 0.51 0.27 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.66 3bjx h GLU 141 N 0.69 0.69 0.00 2.24 3.07 -1.97 -1.64 114.58 117.66 3bjx h GLU 141 Ca 0.54 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 3bjx h GLU 141 Cb 0.94 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3bjx h GLU 141 CO -0.31 0.76 -0.10 -0.07 -1.40 0.00 0.00 179.01 177.89 3bjx h LEU 142 N 0.63 0.00 0.00 1.33 3.38 -1.82 -3.20 115.31 115.63 3bjx h LEU 142 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3bjx h LEU 142 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3bjx h LEU 142 CO 0.03 0.10 -0.23 0.03 0.09 0.00 0.00 178.44 178.47 3bjx h ARG 143 N 0.00 0.00 -7.07 1.13 3.08 -0.83 -1.24 114.38 109.45 3bjx h ARG 143 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3bjx h ARG 143 Cb 0.93 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.12 3bjx h ARG 143 CO 0.01 0.22 0.56 0.00 -1.07 0.00 0.00 179.97 179.70 3bjx s ALA 144 N -3.10 2.64 -0.12 0.04 0.00 -0.68 -4.62 121.76 115.91 3bjx s ALA 144 Ca 0.06 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.10 3bjx s ALA 144 Cb 0.06 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3bjx s ALA 144 CO 0.70 -1.44 0.48 -1.12 0.00 0.00 0.00 175.76 174.39 3bjx s SER 145 N -1.16 6.68 0.61 0.00 0.01 -1.26 0.13 113.70 118.70 3bjx s SER 145 Ca 0.76 0.82 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 3bjx s SER 145 Cb -0.39 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3bjx s SER 145 CO 0.44 -0.01 1.10 0.27 0.41 0.00 0.00 173.24 175.44 3bjx s ILE 146 N 0.68 3.41 0.41 1.44 -4.36 0.57 -4.90 121.20 118.46 3bjx s ILE 146 Ca 0.26 0.71 -0.25 0.00 -0.26 0.00 0.00 60.65 61.11 3bjx s ILE 146 Cb -0.15 -3.23 -0.08 0.00 1.25 0.00 0.00 42.46 40.24 3bjx s ILE 146 CO 0.10 -0.35 1.21 -2.16 0.24 0.00 0.00 174.94 173.98 3bjx s PRO 147 N -3.88 3.98 0.68 0.37 0.04 -1.26 -4.92 135.00 130.01 3bjx s PRO 147 Ca 0.67 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 3bjx s PRO 147 Cb -0.20 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 3bjx s PRO 147 CO 0.36 -0.41 1.06 0.15 0.04 0.00 0.00 177.00 178.20 3bjx s LYS 148 N -2.32 3.12 0.00 4.56 1.02 -1.26 -4.95 119.74 119.91 3bjx s LYS 148 Ca 0.58 0.70 0.00 0.00 0.02 0.00 0.00 55.97 57.27 3bjx s LYS 148 Cb -0.33 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3bjx s LYS 148 CO 0.41 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3bjx n GLY 149 N -2.61 -0.49 3.62 -3.33 0.00 0.05 -5.01 105.19 97.42 3bjx n GLY 149 Ca 0.07 -2.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.92 2.95 0.81 1.61 3.76 -1.26 -4.24 115.29 118.00 3bjx s HIS 150 Ca 0.00 0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 3bjx s HIS 150 Cb 0.00 -1.65 0.08 0.00 1.11 0.00 0.00 32.58 32.12 3bjx s HIS 150 CO 0.00 0.39 1.09 -1.25 -0.85 0.00 0.00 174.74 174.12 3bjx s PRO 151 N -1.30 1.96 0.24 8.40 0.04 -1.26 -4.97 135.00 138.11 3bjx s PRO 151 Ca 0.16 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 3bjx s PRO 151 Cb -0.11 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 32.98 3bjx s PRO 151 CO 0.07 -1.83 1.75 -0.22 0.04 0.00 0.00 177.00 176.81 3bjx h LYS 152 N -1.26 0.52 -3.31 4.56 3.64 -2.01 -3.44 116.57 115.26 3bjx h LYS 152 Ca -0.45 -0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.19 3bjx h LYS 152 Cb 1.24 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 3bjx h LYS 152 CO 0.52 0.34 3.08 0.41 -2.27 0.00 0.00 179.45 181.53 3bjx n GLY 153 N -1.32 4.57 3.30 5.01 0.00 -1.26 -5.11 105.19 110.38 3bjx n GLY 153 Ca 0.13 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 1.92 3.10 0.60 1.61 1.01 -1.26 -5.05 116.67 118.60 3bjx s ASP 155 Ca 0.55 -0.47 0.31 0.00 0.71 0.00 0.00 52.55 53.65 3bjx s ASP 155 Cb 0.16 -0.51 1.87 0.00 1.01 0.00 0.00 42.92 45.44 3bjx s ASP 155 CO -0.06 0.30 2.26 1.55 0.21 0.00 0.00 175.17 179.43 3bjx h PRO 156 N 5.65 0.00 -2.09 8.23 0.13 -1.94 -3.42 132.00 138.56 3bjx h PRO 156 Ca -0.40 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 3bjx h PRO 156 Cb 1.14 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.95 3bjx h PRO 156 CO 0.47 0.00 -0.53 -1.17 -0.23 0.00 0.00 178.00 176.54 3bjx s LEU 157 N -7.57 -0.47 0.16 1.56 2.96 -1.26 -4.39 118.68 109.67 3bjx s LEU 157 Ca -0.05 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 3bjx s LEU 157 Cb 0.15 0.88 -0.07 0.00 0.50 0.00 0.00 46.19 47.65 3bjx s LEU 157 CO 0.54 -0.31 0.98 -0.22 -1.32 0.00 0.00 176.35 176.02 3bjx s LEU 158 N 2.48 4.54 -0.11 -0.68 0.20 -0.29 -5.02 118.68 119.79 3bjx s LEU 158 Ca 0.11 1.89 -0.27 0.00 0.69 0.00 0.00 54.13 56.55 3bjx s LEU 158 Cb -0.16 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 41.99 3bjx s LEU 158 CO -0.15 -0.03 0.89 -2.16 -0.29 0.00 0.00 176.35 174.61 3bjx s PRO 159 N -0.39 4.40 -0.13 0.98 0.05 -1.26 -4.92 135.00 133.72 3bjx s PRO 159 Ca 0.46 1.18 -0.04 0.00 0.05 0.00 0.00 61.00 62.66 3bjx s PRO 159 Cb -0.25 -3.53 -0.03 0.00 0.05 0.00 0.00 34.50 30.74 3bjx s PRO 159 CO 0.31 -0.23 -0.01 -0.51 0.05 0.00 0.00 177.00 176.62 3bjx s LEU 160 N 1.75 3.47 -0.00 -3.56 1.43 -1.26 -4.52 118.68 115.99 3bjx s LEU 160 Ca 0.44 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 3bjx s LEU 160 Cb -0.18 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 3bjx s LEU 160 CO 0.17 0.25 1.61 -0.69 0.23 0.00 0.00 176.35 177.93 3bjx s VAL 161 N -0.13 3.41 -0.30 -1.59 1.01 -0.78 -4.95 120.40 117.07 3bjx s VAL 161 Ca 0.04 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3bjx s VAL 161 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3bjx s VAL 161 CO 0.02 -0.03 1.24 -0.62 0.00 0.00 0.00 175.10 175.71 3bjx s ASP 162 N 2.77 6.75 0.37 3.32 -1.08 -1.26 -4.85 116.67 122.69 3bjx s ASP 162 Ca 0.72 1.18 0.16 0.00 -0.52 0.00 0.00 52.55 54.09 3bjx s ASP 162 Cb -0.35 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.29 3bjx s ASP 162 CO 0.30 -1.02 1.79 0.00 0.52 0.00 0.00 175.17 176.76 3bjx h ALA 163 N 8.92 1.18 0.00 3.66 0.00 -1.93 -1.98 119.26 129.12 3bjx h ALA 163 Ca -0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3bjx h ALA 163 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3bjx h ALA 163 CO 1.03 0.49 0.00 0.25 0.00 0.00 0.00 179.25 181.02 3bjx n THR 164 N -3.83 0.37 -0.05 0.00 -2.24 -1.26 -2.56 114.28 104.72 3bjx n THR 164 Ca -0.01 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3bjx n THR 164 Cb 0.46 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3bjx n THR 164 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bjx n LYS 165 N -1.22 -0.12 -3.26 -0.78 5.02 -0.80 -4.98 118.16 112.02 3bjx n LYS 165 Ca 0.10 -0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 55.65 3bjx n LYS 165 Cb 0.12 -0.92 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.10 3.48 0.98 7.82 0.00 -0.88 -5.03 121.76 128.03 3bjx s ALA 166 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 3bjx s ALA 166 Cb 0.00 -2.55 0.07 0.00 0.00 0.00 0.00 23.12 20.64 3bjx s ALA 166 CO 0.00 0.36 0.45 -1.13 0.00 0.00 0.00 175.76 175.44 3bjx n SER 167 N -0.44 -1.86 -0.05 0.00 3.41 -1.26 -4.72 113.62 108.71 3bjx n SER 167 Ca 0.01 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 3bjx n SER 167 Cb 0.53 -1.20 0.33 0.00 -0.26 0.00 0.00 64.21 63.61 3bjx n SER 167 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bjx h THR 168 N -1.71 1.16 -0.07 6.66 2.02 -1.97 -1.37 112.91 117.62 3bjx h THR 168 Ca -0.45 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.29 3bjx h THR 168 Cb 1.29 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3bjx h THR 168 CO 0.36 0.19 -0.25 -0.33 0.37 0.00 0.00 175.52 175.86 3bjx h GLU 169 N 0.63 -0.33 -0.31 6.66 3.07 -1.99 -1.38 114.58 120.93 3bjx h GLU 169 Ca 0.16 0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.86 3bjx h GLU 169 Cb 0.09 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3bjx h GLU 169 CO -0.02 -0.22 -0.50 0.28 -1.40 0.00 0.00 179.01 177.14 3bjx h VAL 170 N -0.35 1.28 -0.56 3.13 2.07 -1.77 -1.67 116.25 118.37 3bjx h VAL 170 Ca 0.08 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 3bjx h VAL 170 Cb 0.47 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3bjx h VAL 170 CO -0.27 0.55 0.10 1.56 0.02 0.00 0.00 177.57 179.54 3bjx h GLN 171 N 0.68 0.89 -0.43 1.57 4.20 -1.28 -1.49 115.11 119.25 3bjx h GLN 171 Ca 0.03 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.58 3bjx h GLN 171 Cb 1.11 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 3bjx h GLN 171 CO 0.11 0.82 0.16 0.78 -0.67 0.00 0.00 178.83 180.04 3bjx h GLY 172 N 1.00 0.57 1.26 3.46 0.00 -0.88 -1.97 103.07 106.51 3bjx h GLY 172 Ca 0.18 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 3bjx h GLY 172 CO 0.01 0.04 -0.43 1.41 0.00 0.00 0.00 176.54 177.57 3bjx h LEU 173 N 0.34 0.87 -0.61 3.11 3.38 -0.88 0.31 115.31 121.84 3bjx h LEU 173 Ca 0.20 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3bjx h LEU 173 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3bjx h LEU 173 CO -0.19 1.17 0.12 -0.07 0.09 0.00 0.00 178.44 179.56 3bjx h LEU 174 N 0.65 0.95 -0.24 1.67 3.38 -1.27 -1.86 115.31 118.59 3bjx h LEU 174 Ca 0.05 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 3bjx h LEU 174 Cb 1.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3bjx h LEU 174 CO 0.10 0.96 -0.90 0.50 0.09 0.00 0.00 178.44 179.18 3bjx h LYS 175 N 0.90 0.29 -0.07 1.13 1.63 -1.26 -2.49 116.57 116.70 3bjx h LYS 175 Ca 0.19 -0.31 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3bjx h LYS 175 Cb 0.40 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3bjx h LYS 175 CO 0.01 1.01 -0.03 0.00 -3.45 0.00 0.00 179.45 176.99 3bjx h ARG 176 N 0.16 -0.03 -0.49 1.90 3.08 -0.85 -0.70 114.38 117.46 3bjx h ARG 176 Ca -0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3bjx h ARG 176 Cb 1.53 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 3bjx h ARG 176 CO 0.14 -0.02 -0.05 -0.24 -1.07 0.00 0.00 179.97 178.73 3bjx h VAL 177 N -0.03 1.27 0.26 2.04 3.04 -1.37 -0.95 116.25 120.51 3bjx h VAL 177 Ca 0.04 -1.16 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 3bjx h VAL 177 Cb 0.08 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 3bjx h VAL 177 CO -0.08 0.40 -0.12 0.00 -1.01 0.00 0.00 177.57 176.76 3bjx h ALA 178 N 0.91 -0.34 -0.87 3.17 0.00 -1.48 -3.00 119.26 117.64 3bjx h ALA 178 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3bjx h ALA 178 Cb 0.59 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3bjx h ALA 178 CO 0.04 -0.68 0.57 -0.44 0.00 0.00 0.00 179.25 178.74 3bjx h ASP 179 N -0.38 0.86 -0.96 0.00 3.32 -1.05 0.14 116.42 118.36 3bjx h ASP 179 Ca -0.04 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.15 3bjx h ASP 179 Cb 0.29 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 3bjx h ASP 179 CO 0.06 0.56 0.61 0.25 -1.72 0.00 0.00 179.24 178.99 3bjx h LEU 180 N 0.98 0.81 -0.13 1.55 5.85 -1.04 0.21 115.31 123.54 3bjx h LEU 180 Ca 0.37 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3bjx h LEU 180 Cb 0.20 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3bjx h LEU 180 CO -0.13 0.41 -0.30 1.41 -0.34 0.00 0.00 178.44 179.49 3bjx n HIS 181 N -4.60 0.00 -3.47 1.25 8.25 -0.98 -4.61 115.22 111.05 3bjx n HIS 181 Ca 0.18 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 3bjx n HIS 181 Cb 0.41 -0.26 0.08 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.25 -2.15 -3.41 4.41 4.01 0.06 -4.93 117.16 113.90 3bjx n TYR 182 Ca 0.09 0.91 -0.20 0.00 -0.16 0.00 0.00 57.90 58.53 3bjx n TYR 182 Cb 0.33 -4.85 -0.00 0.00 -0.31 0.00 0.00 39.34 34.50 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 -3.42 3.18 -0.71 -0.72 3.76 0.40 -5.00 115.29 112.78 3bjx s HIS 183 Ca 0.04 -0.09 0.24 0.00 -0.15 0.00 0.00 55.06 55.11 3bjx s HIS 183 Cb -0.01 -2.02 0.40 0.00 1.11 0.00 0.00 32.58 32.07 3bjx s HIS 183 CO 0.75 -0.04 1.36 -2.39 -0.85 0.00 0.00 174.74 173.57 3bjx n HIS 184 N -1.71 0.46 -3.61 1.40 1.44 -1.26 -4.44 115.22 107.49 3bjx n HIS 184 Ca -0.01 0.13 -0.01 0.00 -2.01 0.00 0.00 57.72 55.83 3bjx n HIS 184 Cb 0.58 -0.59 -0.01 0.00 0.12 0.00 0.00 29.99 30.08 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 -3.54 -0.33 0.30 -1.39 0.00 -1.26 -4.88 107.32 96.23 3bjx s GLY 185 Ca 0.07 1.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.86 3bjx s GLY 185 CO 0.71 0.40 1.22 2.56 0.00 0.00 0.00 173.10 177.99 3bjx s PRO 186 N -2.26 4.47 0.56 2.90 0.04 -1.26 -4.84 135.00 134.62 3bjx s PRO 186 Ca 0.12 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 3bjx s PRO 186 Cb 0.02 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3bjx s PRO 186 CO -0.04 -0.03 1.29 0.00 0.04 0.00 0.00 177.00 178.26 3bjx s ALA 187 N -1.10 2.69 0.45 8.56 0.00 -1.26 -4.89 121.76 126.22 3bjx s ALA 187 Ca 0.47 1.19 0.24 0.00 0.00 0.00 0.00 51.96 53.87 3bjx s ALA 187 Cb -0.36 -3.52 1.25 0.00 0.00 0.00 0.00 23.12 20.49 3bjx s ALA 187 CO 0.48 -1.28 1.80 0.77 0.00 0.00 0.00 175.76 177.52 3bjx h SER 188 N 1.24 0.28 -0.53 0.00 0.02 -1.96 -1.76 113.55 110.84 3bjx h SER 188 Ca -0.51 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 3bjx h SER 188 Cb 1.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 3bjx h SER 188 CO 0.56 0.06 0.23 0.44 -1.14 0.00 0.00 176.83 176.99 3bjx h ASP 189 N 0.25 0.29 0.48 3.07 5.19 -1.99 0.11 116.42 123.82 3bjx h ASP 189 Ca 0.56 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.88 3bjx h ASP 189 Cb 1.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.17 3bjx h ASP 189 CO -0.18 0.20 -0.60 -0.26 -3.12 0.00 0.00 179.24 175.28 3bjx h PHE 190 N 0.45 0.16 -0.91 4.55 0.04 -1.71 -1.72 116.94 117.79 3bjx h PHE 190 Ca 0.24 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 3bjx h PHE 190 Cb 0.21 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3bjx h PHE 190 CO -0.13 0.69 0.57 1.96 -0.60 0.00 0.00 178.31 180.80 3bjx h GLN 191 N 0.09 1.23 -0.06 1.51 4.20 -0.74 0.28 115.11 121.63 3bjx h GLN 191 Ca -0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3bjx h GLN 191 Cb 1.08 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3bjx h GLN 191 CO 0.09 0.84 -0.12 0.00 -0.67 0.00 0.00 178.83 178.97 3bjx h ALA 192 N 1.31 0.09 0.00 3.87 0.00 -0.75 -2.02 119.26 121.77 3bjx h ALA 192 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bjx h ALA 192 Cb -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3bjx h ALA 192 CO -0.07 -0.02 -0.03 -0.07 0.00 0.00 0.00 179.25 179.06 3bjx h LEU 193 N -0.33 0.00 -0.08 0.00 3.38 -1.28 -1.90 115.31 115.10 3bjx h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bjx h LEU 193 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3bjx h LEU 193 CO 0.03 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3bjx n ALA 194 N -2.40 1.13 0.27 1.53 0.00 0.08 -0.96 120.51 120.17 3bjx n ALA 194 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.54 3bjx n ALA 194 Cb 0.11 -1.06 0.75 0.00 0.00 0.00 0.00 19.45 19.25 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 0.00 -3.28 0.00 2.35 -1.43 -3.28 115.58 109.94 3bjx h ASN 195 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 3bjx h ASN 195 Cb 0.05 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.01 3bjx h ASN 195 CO 0.00 0.10 -0.70 0.26 -1.65 0.00 0.00 177.43 175.44 3bjx s TRP 196 N -4.26 2.59 0.42 1.19 0.51 -0.13 -5.01 118.94 114.25 3bjx s TRP 196 Ca -0.03 -2.86 0.18 0.00 -2.12 0.00 0.00 56.10 51.27 3bjx s TRP 196 Cb 0.13 -2.16 1.10 0.00 -0.81 0.00 0.00 33.47 31.73 3bjx s TRP 196 CO 0.58 -0.70 1.84 -1.35 -0.51 0.00 0.00 176.95 176.82 3bjx h PRO 197 N 6.00 0.38 -0.48 4.98 0.11 -1.71 0.07 132.00 141.36 3bjx h PRO 197 Ca 0.09 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3bjx h PRO 197 Cb 0.85 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3bjx h PRO 197 CO 0.58 0.25 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.31 3bjx h LYS 198 N 0.40 0.91 -0.77 1.05 1.63 -1.94 -1.51 116.57 116.34 3bjx h LYS 198 Ca 0.49 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3bjx h LYS 198 Cb 1.24 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 3bjx h LYS 198 CO -0.19 0.99 0.49 0.28 -3.45 0.00 0.00 179.45 177.57 3bjx h VAL 199 N 0.76 1.14 0.25 2.00 2.07 -1.31 -0.79 116.25 120.37 3bjx h VAL 199 Ca 0.13 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3bjx h VAL 199 Cb 0.64 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3bjx h VAL 199 CO 0.04 0.18 -0.12 0.25 0.02 0.00 0.00 177.57 177.94 3bjx h LEU 200 N 0.98 -0.28 -0.71 2.57 5.85 -1.28 -2.04 115.31 120.40 3bjx h LEU 200 Ca 0.30 -0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.06 3bjx h LEU 200 Cb -0.03 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 3bjx h LEU 200 CO -0.09 -0.05 0.11 -0.61 -0.34 0.00 0.00 178.44 177.45 3bjx h GLN 201 N -0.51 0.19 0.33 1.25 4.15 -1.16 -0.64 115.11 118.72 3bjx h GLN 201 Ca -0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3bjx h GLN 201 Cb 0.38 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3bjx h GLN 201 CO 0.06 0.13 -0.16 0.82 -1.93 0.00 0.00 178.83 177.75 3bjx h ILE 202 N 0.20 0.66 0.00 2.39 2.04 -1.08 -0.97 117.51 120.75 3bjx h ILE 202 Ca 0.40 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3bjx h ILE 202 Cb 0.68 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3bjx h ILE 202 CO -0.54 0.10 -0.11 -0.37 0.00 0.00 0.00 178.15 177.23 3bjx h VAL 203 N -0.76 0.76 0.11 1.67 -1.51 -1.24 0.58 116.25 115.86 3bjx h VAL 203 Ca -0.05 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 3bjx h VAL 203 Cb 0.51 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3bjx h VAL 203 CO 0.07 0.10 -0.05 0.74 -1.23 0.00 0.00 177.57 177.20 3bjx h THR 204 N 0.00 0.68 -0.10 7.19 2.02 -1.10 0.55 112.91 122.16 3bjx h THR 204 Ca -0.00 -1.27 -0.19 0.00 0.77 0.00 0.00 66.41 65.73 3bjx h THR 204 Cb 0.24 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3bjx h THR 204 CO 0.01 0.21 -0.72 0.44 0.37 0.00 0.00 175.52 175.83 3bjx h ASP 205 N -0.96 0.55 0.00 4.18 3.32 -1.06 -0.20 116.42 122.24 3bjx h ASP 205 Ca -0.02 -0.35 -0.24 0.00 0.02 0.00 0.00 57.03 56.44 3bjx h ASP 205 Cb 0.45 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3bjx h ASP 205 CO 0.03 1.09 -1.92 -0.62 -1.72 0.00 0.00 179.24 176.10 3bjx n GLU 206 N -3.86 1.28 -0.10 3.56 1.02 0.18 -4.32 120.64 118.40 3bjx n GLU 206 Ca -0.05 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 3bjx n GLU 206 Cb 0.70 -1.34 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 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 -2.69 1.49 0.02 2.62 0.31 -1.12 -4.72 118.33 114.24 3bjx n VAL 207 Ca -0.25 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 3bjx n VAL 207 Cb 0.88 -2.17 -0.13 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.03 -0.44 7.52 3.38 0.11 -3.37 115.31 121.54 3bjx h LEU 208 Ca -0.25 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3bjx h LEU 208 Cb 1.06 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3bjx h LEU 208 CO -0.15 1.04 0.15 0.00 0.09 0.00 0.00 178.44 179.57 3bjx h ALA 209 N 0.96 0.52 0.00 1.53 0.00 -1.22 0.39 119.26 121.44 3bjx h ALA 209 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bjx h ALA 209 Cb 1.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3bjx h ALA 209 CO 0.11 -0.24 0.00 -1.00 0.00 0.00 0.00 179.25 178.11 3bjx h PRO 210 N 0.31 0.00 0.00 0.00 0.13 -1.83 -3.36 132.00 127.26 3bjx h PRO 210 Ca 0.21 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.14 3bjx h PRO 210 Cb 0.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.30 3bjx h PRO 210 CO -0.22 0.00 -1.72 1.33 -0.23 0.00 0.00 178.00 177.16 3bjx n VAL 211 N -2.80 0.72 -1.68 1.56 0.24 -0.46 -4.88 118.33 111.03 3bjx n VAL 211 Ca -0.01 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 3bjx n VAL 211 Cb 0.17 -1.09 -0.01 0.00 -1.47 0.00 0.00 33.84 31.44 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 -3.02 1.07 -1.00 2.33 0.00 0.13 -2.10 120.51 117.93 3bjx n ALA 212 Ca -0.23 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3bjx n ALA 212 Cb 0.73 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 0.54 -1.81 -1.83 0.00 5.12 -1.26 -4.95 116.66 112.47 3bjx n ARG 213 Ca 0.05 0.45 -0.31 0.00 -1.93 0.00 0.00 57.85 56.12 3bjx n ARG 213 Cb 0.36 -4.83 0.02 0.00 -1.16 0.00 0.00 32.46 26.85 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 -1.09 4.50 0.27 0.55 -4.23 -0.89 -4.78 115.64 109.97 3bjx s THR 214 Ca 0.00 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3bjx s THR 214 Cb 0.00 -3.72 0.25 0.00 1.34 0.00 0.00 72.50 70.37 3bjx s THR 214 CO 0.00 -1.03 1.76 -0.08 -0.54 0.00 0.00 174.62 174.73 3bjx h GLU 215 N -0.33 0.62 -0.50 3.99 4.57 -1.94 0.15 114.58 121.14 3bjx h GLU 215 Ca -0.44 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.63 3bjx h GLU 215 Cb 1.20 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3bjx h GLU 215 CO 0.60 0.41 0.06 0.37 -1.18 0.00 0.00 179.01 179.27 3bjx h GLN 216 N 0.64 0.85 -0.09 1.92 4.15 -1.93 -1.48 115.11 119.17 3bjx h GLN 216 Ca 0.49 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.68 3bjx h GLN 216 Cb 0.71 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3bjx h GLN 216 CO -0.37 0.85 0.01 -0.92 -1.93 0.00 0.00 178.83 176.47 3bjx h TYR 217 N 0.72 0.01 -0.88 3.99 3.20 -1.43 -1.11 116.97 121.47 3bjx h TYR 217 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3bjx h TYR 217 Cb 0.44 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3bjx h TYR 217 CO 0.03 0.00 0.53 -0.44 -1.64 0.00 0.00 178.16 176.64 3bjx h ASP 218 N 0.05 1.05 -0.79 -2.11 3.32 -0.62 -1.34 116.42 115.98 3bjx h ASP 218 Ca 0.04 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3bjx h ASP 218 Cb 0.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3bjx h ASP 218 CO -0.06 0.81 0.45 0.00 -1.72 0.00 0.00 179.24 178.72 3bjx h ALA 219 N 1.29 1.29 -0.44 3.45 0.00 -1.20 -0.35 119.26 123.31 3bjx h ALA 219 Ca 0.31 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3bjx h ALA 219 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3bjx h ALA 219 CO -0.06 0.59 -0.16 -0.22 0.00 0.00 0.00 179.25 179.40 3bjx h LYS 220 N 1.11 0.83 -0.39 0.00 1.63 -0.73 -1.67 116.57 117.36 3bjx h LYS 220 Ca 0.28 -0.31 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 3bjx h LYS 220 Cb 0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3bjx h LYS 220 CO -0.05 0.94 -0.05 1.03 -3.45 0.00 0.00 179.45 177.87 3bjx h SER 221 N 0.74 0.72 -0.30 4.20 0.87 -0.76 -1.63 113.55 117.40 3bjx h SER 221 Ca 0.11 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3bjx h SER 221 Cb 0.68 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3bjx h SER 221 CO 0.05 0.89 0.18 0.03 -0.53 0.00 0.00 176.83 177.45 3bjx h ARG 222 N 0.54 0.42 -0.18 2.24 2.47 -1.03 -1.27 114.38 117.56 3bjx h ARG 222 Ca 0.11 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 3bjx h ARG 222 Cb 0.55 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3bjx h ARG 222 CO 0.03 0.31 -0.03 1.49 0.56 0.00 0.00 179.97 182.33 3bjx h GLU 223 N 0.43 0.34 -0.39 0.04 4.81 -0.78 -1.22 114.58 117.81 3bjx h GLU 223 Ca 0.11 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3bjx h GLU 223 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3bjx h GLU 223 CO -0.02 0.59 0.03 -0.07 -0.73 0.00 0.00 179.01 178.81 3bjx h LEU 224 N 0.07 0.65 0.61 1.64 4.07 -1.15 -0.25 115.31 120.95 3bjx h LEU 224 Ca 0.05 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 3bjx h LEU 224 Cb 0.45 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 3bjx h LEU 224 CO 0.02 0.77 -0.46 0.58 -1.08 0.00 0.00 178.44 178.27 3bjx h VAL 225 N 0.50 0.09 0.01 1.22 2.07 -1.21 0.33 116.25 119.25 3bjx h VAL 225 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3bjx h VAL 225 Cb 0.42 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3bjx h VAL 225 CO 0.01 0.00 -0.43 0.74 0.02 0.00 0.00 177.57 177.91 3bjx h THR 226 N -1.03 0.14 -0.33 2.57 2.02 -1.27 -1.72 112.91 113.27 3bjx h THR 226 Ca -0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 3bjx h THR 226 Cb 0.86 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3bjx h THR 226 CO 0.02 0.00 -0.01 -0.09 0.37 0.00 0.00 175.52 175.81 3bjx h ARG 227 N -0.59 0.08 -0.90 6.66 9.65 -0.94 -0.74 114.38 127.59 3bjx h ARG 227 Ca 0.04 -0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.09 3bjx h ARG 227 Cb 0.66 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.15 3bjx h ARG 227 CO -0.32 0.05 0.58 0.00 2.80 0.00 0.00 179.97 183.09 3bjx h ALA 228 N 1.30 1.99 -0.06 2.80 0.00 -0.24 -1.76 119.26 123.28 3bjx h ALA 228 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3bjx h ALA 228 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bjx h ALA 228 CO -0.28 -0.26 0.02 -0.09 0.00 0.00 0.00 179.25 178.64 3bjx h ARG 229 N 0.56 0.10 -0.11 0.00 2.43 -0.20 -2.06 114.38 115.09 3bjx h ARG 229 Ca 0.47 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.62 3bjx h ARG 229 Cb 0.93 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3bjx h ARG 229 CO -0.21 0.24 0.06 0.93 -1.51 0.00 0.00 179.97 179.48 3bjx h GLU 230 N -0.07 0.12 -0.96 0.20 5.08 -0.97 -2.31 114.58 115.67 3bjx h GLU 230 Ca 0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3bjx h GLU 230 Cb 0.18 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3bjx h GLU 230 CO -0.00 0.08 0.62 -0.07 -1.00 0.00 0.00 179.01 178.64 3bjx h LEU 231 N 0.12 0.99 -1.17 1.33 3.38 -1.32 -1.06 115.31 117.58 3bjx h LEU 231 Ca 0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3bjx h LEU 231 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3bjx h LEU 231 CO -0.03 0.63 -0.39 0.58 0.09 0.00 0.00 178.44 179.33 3bjx h VAL 232 N 1.13 1.12 0.00 1.22 2.07 -1.21 -1.95 116.25 118.63 3bjx h VAL 232 Ca 0.41 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 3bjx h VAL 232 Cb 0.16 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3bjx h VAL 232 CO -0.17 0.38 -0.26 -0.09 0.02 0.00 0.00 177.57 177.45 3bjx h ARG 233 N 0.00 0.00 -0.35 1.57 9.65 -0.65 -2.53 114.38 122.06 3bjx h ARG 233 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3bjx h ARG 233 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3bjx h ARG 233 CO 0.05 0.26 0.00 0.41 2.80 0.00 0.00 179.97 183.49 3bjx n GLY 234 N -0.20 1.64 3.75 2.80 0.00 -0.69 -3.65 105.19 108.82 3bjx n GLY 234 Ca -0.01 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 1.46 5.38 -4.76 0.99 4.77 -1.05 -4.61 117.00 119.18 3bjx n LEU 235 Ca 0.19 1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 56.79 3bjx n LEU 235 Cb 0.60 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 3bjx n LEU 235 CO 0.16 -0.46 0.86 -2.16 -1.33 0.00 0.00 177.39 174.45 3bjx s PRO 236 N -2.74 4.54 2.94 3.23 0.04 -1.26 -2.01 135.00 139.73 3bjx s PRO 236 Ca 0.68 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.66 3bjx s PRO 236 Cb -0.43 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3bjx s PRO 236 CO 0.52 0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.03 3bjx n GLY 237 N 1.22 -0.33 3.30 0.56 0.00 -1.26 -4.70 105.19 103.98 3bjx n GLY 237 Ca -0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 3bjx n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjx s SER 238 N -4.00 2.51 0.16 1.61 1.04 -1.26 0.18 113.70 113.93 3bjx s SER 238 Ca 0.00 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.53 3bjx s SER 238 Cb 0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3bjx s SER 238 CO 0.00 -0.03 0.29 0.00 0.98 0.00 0.00 173.24 174.47 3bjx s ALA 239 N -1.82 -0.05 0.04 5.32 0.00 -1.25 -4.48 121.76 119.51 3bjx s ALA 239 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3bjx s ALA 239 Cb -0.07 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3bjx s ALA 239 CO 0.05 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3bjx n GLY 240 N -0.21 -1.84 2.90 0.00 0.00 -1.26 -4.85 105.19 99.95 3bjx n GLY 240 Ca -0.08 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.43 -0.12 0.36 1.61 1.01 -1.26 -4.69 120.40 116.87 3bjx s VAL 241 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3bjx s VAL 241 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 3bjx s VAL 241 CO 0.00 0.10 1.14 -1.10 0.00 0.00 0.00 175.10 175.23 3bjx s GLN 242 N 1.54 4.29 0.59 2.72 -1.52 -1.26 -4.72 119.66 121.30 3bjx s GLN 242 Ca -0.05 1.80 0.28 0.00 -1.95 0.00 0.00 55.36 55.44 3bjx s GLN 242 Cb -0.12 -2.85 1.68 0.00 -0.22 0.00 0.00 33.01 31.51 3bjx s GLN 242 CO -0.06 -0.10 2.14 -0.09 -0.25 0.00 0.00 175.29 176.93 3bjx h ARG 243 N 3.05 0.00 0.00 2.91 2.43 -1.96 -1.59 114.38 119.23 3bjx h ARG 243 Ca -0.48 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.61 3bjx h ARG 243 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3bjx h ARG 243 CO 0.64 0.00 -0.40 0.66 -1.51 0.00 0.00 179.97 179.36 3bjx h SER 244 N 0.00 0.00 0.77 -3.80 4.64 -1.91 -2.83 113.55 110.43 3bjx h SER 244 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3bjx h SER 244 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3bjx h SER 244 CO -0.00 0.40 0.00 1.21 -0.87 0.00 0.00 176.83 177.57 3bjx n GLU 245 N -3.59 0.04 -2.91 4.77 2.13 -0.60 -4.81 120.64 115.67 3bjx n GLU 245 Ca -0.00 0.09 -0.39 0.00 0.66 0.00 0.00 57.16 57.51 3bjx n GLU 245 Cb 0.51 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 -1.47 6.33 -0.45 4.31 4.77 -1.07 -5.04 117.00 124.37 3bjx n LEU 246 Ca 0.06 -5.34 0.00 0.00 -0.03 0.00 0.00 56.01 50.70 3bjx n LEU 246 Cb 0.27 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3bjx n LEU 246 CO 0.22 1.91 0.00 -1.54 -1.33 0.00 0.00 177.39 176.65 3bjx n SER 248 N 0.65 -0.06 -2.53 -1.43 3.41 -1.26 -4.84 113.62 107.56 3bjx n SER 248 Ca 0.34 0.03 -0.23 0.00 -0.26 0.00 0.00 58.87 58.75 3bjx n SER 248 Cb 0.32 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.39 -3.65 -4.88 1.04 4.77 -1.26 -5.21 117.00 107.42 3bjx n LEU 250 Ca 0.00 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 3bjx n LEU 250 Cb 0.03 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3bjx n LEU 250 CO 0.00 -3.62 0.49 0.42 -1.33 0.00 0.00 177.39 173.35 3bjx s THR 251 N -1.27 4.81 0.30 -5.08 -4.23 -1.26 -4.87 115.64 104.04 3bjx s THR 251 Ca 0.25 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 3bjx s THR 251 Cb -0.10 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.31 3bjx s THR 251 CO 0.51 -0.73 1.60 -0.65 -0.54 0.00 0.00 174.62 174.82 3bjx h PRO 252 N 0.67 0.07 0.40 3.99 0.11 -1.99 0.21 132.00 135.46 3bjx h PRO 252 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3bjx h PRO 252 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3bjx h PRO 252 CO 0.63 0.05 -0.27 -0.97 -0.21 0.00 0.00 178.00 177.22 3bjx h ASN 253 N 0.08 -0.70 0.05 -2.05 -0.00 -1.99 -1.36 115.58 109.61 3bjx h ASN 253 Ca 0.58 0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.92 3bjx h ASN 253 Cb 1.22 0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 39.75 3bjx h ASN 253 CO -0.81 -0.42 -0.04 -0.33 -0.00 0.00 0.00 177.43 175.83 3bjx h GLU 254 N -0.65 0.00 -0.08 6.67 5.08 -1.37 -1.00 114.58 123.23 3bjx h GLU 254 Ca -0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 3bjx h GLU 254 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3bjx h GLU 254 CO 0.02 0.04 -0.90 -0.07 -1.00 0.00 0.00 179.01 177.11 3bjx h LEU 255 N 0.00 0.89 -0.63 1.33 3.38 -0.55 -1.54 115.31 118.19 3bjx h LEU 255 Ca -0.00 -0.64 -0.12 0.00 0.09 0.00 0.00 57.88 57.21 3bjx h LEU 255 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3bjx h LEU 255 CO 0.01 1.44 -0.22 0.00 0.09 0.00 0.00 178.44 179.76 3bjx h ALA 256 N 0.52 0.82 -0.40 1.53 0.00 -0.78 -1.62 119.26 119.33 3bjx h ALA 256 Ca -0.09 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3bjx h ALA 256 Cb 1.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3bjx h ALA 256 CO 0.18 0.65 -0.34 0.78 0.00 0.00 0.00 179.25 180.51 3bjx h GLY 257 N 0.94 1.00 0.99 0.00 0.00 -1.23 -2.44 103.07 102.34 3bjx h GLY 257 Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 3bjx h GLY 257 CO 0.06 0.89 0.27 -2.00 0.00 0.00 0.00 176.54 175.76 3bjx h LEU 258 N 0.76 0.81 -0.87 3.11 5.85 -1.23 0.45 115.31 124.20 3bjx h LEU 258 Ca 0.07 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3bjx h LEU 258 Cb 0.92 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3bjx h LEU 258 CO 0.09 0.74 0.55 0.74 -0.34 0.00 0.00 178.44 180.21 3bjx h THR 259 N 0.83 1.23 -0.08 1.05 2.02 -1.26 -2.30 112.91 114.40 3bjx h THR 259 Ca 0.21 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3bjx h THR 259 Cb 0.16 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3bjx h THR 259 CO -0.02 0.23 -0.08 1.23 0.37 0.00 0.00 175.52 177.26 3bjx h GLY 260 N 1.18 0.21 0.45 2.16 0.00 -1.13 -2.12 103.07 103.83 3bjx h GLY 260 Ca 0.31 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3bjx h GLY 260 CO -0.06 0.19 -0.09 -2.08 0.00 0.00 0.00 176.54 174.49 3bjx h VAL 261 N -0.23 0.68 -0.59 4.60 2.07 -0.93 -3.09 116.25 118.76 3bjx h VAL 261 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3bjx h VAL 261 Cb 0.58 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3bjx h VAL 261 CO 0.02 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.77 3bjx h LEU 262 N -0.05 0.81 -0.89 2.57 3.38 -1.47 -0.79 115.31 118.87 3bjx h LEU 262 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3bjx h LEU 262 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3bjx h LEU 262 CO -0.27 0.76 0.00 0.33 0.09 0.00 0.00 178.44 179.35 3bjx n PHE 263 N -4.47 0.00 0.00 1.13 7.35 -0.80 -2.19 117.46 118.48 3bjx n PHE 263 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3bjx n PHE 263 Cb 0.16 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.99 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 0.36 0.00 -0.27 -5.13 4.01 -0.30 -3.74 117.16 112.09 3bjx n TYR 265 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3bjx n TYR 265 Cb 0.00 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.35 0.00 -0.72 4.20 -1.71 -0.06 115.11 117.17 3bjx h GLN 266 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bjx h GLN 266 Cb 0.00 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3bjx h GLN 266 CO 0.00 0.23 -0.00 0.00 -0.67 0.00 0.00 178.83 178.39 3bjx h ARG 267 N 0.36 -0.00 -0.70 1.46 -0.00 -1.87 -2.59 114.38 111.04 3bjx h ARG 267 Ca 0.46 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 60.05 3bjx h ARG 267 Cb 0.78 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.63 3bjx h ARG 267 CO -0.49 0.90 -0.35 0.35 0.00 0.00 0.00 179.97 180.38 3bjx h PHE 268 N -0.91 -0.98 -0.29 3.04 3.57 -1.84 0.63 116.94 120.16 3bjx h PHE 268 Ca -0.00 0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 3bjx h PHE 268 Cb 0.90 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 3bjx h PHE 268 CO 0.25 -0.39 -0.37 0.82 -2.23 0.00 0.00 178.31 176.38 3bjx h ILE 269 N -0.12 1.29 -0.22 1.41 2.04 -1.11 -1.46 117.51 119.33 3bjx h ILE 269 Ca 0.26 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3bjx h ILE 269 Cb 0.56 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3bjx h ILE 269 CO -0.76 0.49 0.11 0.00 0.00 0.00 0.00 178.15 177.99 3bjx h ALA 270 N 1.03 0.27 -0.27 1.87 0.00 -0.95 0.61 119.26 121.82 3bjx h ALA 270 Ca 0.05 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3bjx h ALA 270 Cb 0.89 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3bjx h ALA 270 CO 0.08 -0.30 0.05 -0.44 0.00 0.00 0.00 179.25 178.64 3bjx h ASP 271 N 0.24 0.01 -0.02 0.00 3.32 -0.66 -0.90 116.42 118.40 3bjx h ASP 271 Ca 0.09 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 3bjx h ASP 271 Cb 0.02 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3bjx h ASP 271 CO -0.06 0.04 -0.58 0.40 -1.72 0.00 0.00 179.24 177.32 3bjx h ILE 272 N 0.15 1.31 0.00 0.35 1.08 -1.19 0.05 117.51 119.27 3bjx h ILE 272 Ca 0.12 -1.83 0.03 0.00 -0.39 0.00 0.00 64.86 62.80 3bjx h ILE 272 Cb 0.13 1.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 3bjx h ILE 272 CO -0.16 0.57 -0.26 0.74 -0.69 0.00 0.00 178.15 178.35 3bjx h THR 273 N 0.47 0.41 -0.34 -0.27 2.02 -0.66 -2.12 112.91 112.42 3bjx h THR 273 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3bjx h THR 273 Cb 1.15 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3bjx h THR 273 CO 0.11 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.50 3bjx h ILE 274 N -0.40 0.88 -0.40 3.11 2.04 -0.91 -2.72 117.51 119.10 3bjx h ILE 274 Ca 0.06 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3bjx h ILE 274 Cb 0.49 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3bjx h ILE 274 CO -0.23 0.04 -0.10 0.28 0.00 0.00 0.00 178.15 178.14 3bjx h SER 275 N 0.23 0.69 0.60 1.72 0.02 -0.63 -2.16 113.55 114.01 3bjx h SER 275 Ca 0.15 -0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.63 3bjx h SER 275 Cb 0.14 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3bjx h SER 275 CO -0.18 0.82 -1.41 0.40 -1.14 0.00 0.00 176.83 175.32 3bjx h ILE 276 N 0.64 1.26 0.00 3.27 1.08 -1.39 -2.68 117.51 119.68 3bjx h ILE 276 Ca 0.11 -2.95 -0.05 0.00 -0.39 0.00 0.00 64.86 61.58 3bjx h ILE 276 Cb 0.55 2.74 -0.01 0.00 -3.07 0.00 0.00 36.82 37.03 3bjx h ILE 276 CO 0.03 0.81 -0.25 0.40 -0.69 0.00 0.00 178.15 178.45 3bjx h ILE 277 N 0.04 1.09 -0.18 -0.67 2.04 -1.42 -1.01 117.51 117.41 3bjx h ILE 277 Ca -0.19 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 3bjx h ILE 277 Cb 1.95 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3bjx h ILE 277 CO 0.14 0.24 -0.42 -0.74 0.00 0.00 0.00 178.15 177.38 3bjx h HIS 278 N 0.00 0.76 -0.64 1.37 2.76 -1.30 -0.49 115.15 117.62 3bjx h HIS 278 Ca -0.00 -0.29 0.01 0.00 -2.20 0.00 0.00 60.37 57.88 3bjx h HIS 278 Cb 0.46 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3bjx h HIS 278 CO 0.00 1.05 0.42 0.82 -1.30 0.00 0.00 177.93 178.92 3bjx h ILE 279 N 0.26 1.17 -0.83 6.26 2.04 -1.38 -0.92 117.51 124.11 3bjx h ILE 279 Ca -0.00 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3bjx h ILE 279 Cb 1.03 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3bjx h ILE 279 CO 0.09 0.16 0.55 0.74 0.00 0.00 0.00 178.15 179.69 3bjx h THR 280 N 0.86 1.21 -0.15 -0.27 2.02 -1.07 -2.21 112.91 113.31 3bjx h THR 280 Ca 0.23 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3bjx h THR 280 Cb -0.09 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.31 3bjx h THR 280 CO -0.05 0.21 -0.07 -0.08 0.37 0.00 0.00 175.52 175.90 3bjx h GLU 281 N 1.13 0.31 -0.97 6.66 4.81 -0.40 0.13 114.58 126.24 3bjx h GLU 281 Ca 0.30 -0.14 0.26 0.00 -0.13 0.00 0.00 59.36 59.66 3bjx h GLU 281 Cb -0.13 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 3bjx h GLU 281 CO -0.07 0.63 0.68 0.00 -0.73 0.00 0.00 179.01 179.52 3bjx h LEU 283 N 0.16 0.24 -0.59 0.00 5.85 -0.79 -2.79 115.31 117.39 3bjx h LEU 283 Ca 0.49 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3bjx h LEU 283 Cb 1.65 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3bjx h LEU 283 CO -0.10 1.60 0.00 0.47 -0.34 0.00 0.00 178.44 180.07 3bjx n ASP 284 N -4.04 0.59 0.00 1.25 8.00 0.40 -4.52 116.55 118.23 3bjx n ASP 284 Ca -0.28 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3bjx n ASP 284 Cb 0.84 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 0.09 -1.47 0.34 0.44 0.00 0.84 -4.48 105.19 100.95 3bjx n GLY 285 Ca 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 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 1.29 0.11 4.61 0.00 -1.91 -2.03 119.26 121.33 3bjx h ALA 286 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3bjx h ALA 286 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3bjx h ALA 286 CO 0.00 0.57 -0.05 0.93 0.00 0.00 0.00 179.25 180.70 3bjx h GLU 287 N 1.05 -0.14 -0.37 0.00 3.07 -1.98 -1.90 114.58 114.30 3bjx h GLU 287 Ca 0.26 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3bjx h GLU 287 Cb 0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3bjx h GLU 287 CO -0.04 0.16 -0.31 0.00 -1.40 0.00 0.00 179.01 177.42 3bjx h ALA 288 N 0.38 0.74 0.00 3.43 0.00 -1.76 -2.84 119.26 119.23 3bjx h ALA 288 Ca -0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3bjx h ALA 288 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3bjx h ALA 288 CO 0.03 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.81 3bjx h ALA 289 N 0.95 1.71 0.00 0.00 0.00 -1.31 -3.35 119.26 117.26 3bjx h ALA 289 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3bjx h ALA 289 Cb 0.86 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3bjx h ALA 289 CO 0.08 0.15 -1.71 -1.13 0.00 0.00 0.00 179.25 176.64 3bjx n SER 290 N -4.27 1.92 -4.89 0.00 3.41 -0.72 -4.90 113.62 104.17 3bjx n SER 290 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.29 3bjx n SER 290 Cb 0.20 1.30 0.03 0.00 -0.26 0.00 0.00 64.21 65.48 3bjx n SER 290 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3bjx s LYS 291 N -2.69 3.13 -0.15 4.33 -2.85 -1.08 -3.64 119.74 116.79 3bjx s LYS 291 Ca -0.05 0.41 -0.29 0.00 -1.00 0.00 0.00 55.97 55.03 3bjx s LYS 291 Cb 0.07 -2.13 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 3bjx s LYS 291 CO 0.54 -0.76 1.34 0.45 0.10 0.00 0.00 175.35 177.02 3bjx s SER 292 N -4.28 6.89 0.36 0.03 0.15 -1.26 -4.88 113.70 110.70 3bjx s SER 292 Ca 0.55 1.79 0.27 0.00 0.70 0.00 0.00 55.95 59.26 3bjx s SER 292 Cb -0.11 -2.54 1.21 0.00 -1.71 0.00 0.00 66.02 62.87 3bjx s SER 292 CO 0.50 -0.80 1.81 1.55 1.20 0.00 0.00 173.24 177.50 3bjx h PRO 293 N 8.48 0.00 -2.60 5.44 0.13 -1.88 -3.31 132.00 138.27 3bjx h PRO 293 Ca -0.29 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.24 3bjx h PRO 293 Cb 1.12 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.86 3bjx h PRO 293 CO 0.97 0.00 -0.85 -0.06 -0.23 0.00 0.00 178.00 177.82 3bjx s PHE 294 N -3.50 1.71 0.30 1.56 0.08 -1.26 -5.08 117.98 111.80 3bjx s PHE 294 Ca 0.02 -2.52 -0.30 0.00 0.12 0.00 0.00 56.93 54.25 3bjx s PHE 294 Cb 0.09 -1.41 -0.11 0.00 -0.57 0.00 0.00 43.02 41.02 3bjx s PHE 294 CO 0.38 -0.76 1.54 -2.14 -0.10 0.00 0.00 175.22 174.15 3bjx s PRO 295 N -0.20 4.15 0.00 0.24 0.02 -1.25 -5.07 135.00 132.89 3bjx s PRO 295 Ca 0.29 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.84 3bjx s PRO 295 Cb -0.02 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3bjx s PRO 295 CO -0.16 -0.57 0.00 1.51 -0.33 0.00 0.00 177.00 177.45