#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6p n HIS 10 N 0.00 -0.53 -2.07 1.61 -0.00 -1.26 -5.04 115.22 107.92 3b6p n HIS 10 Ca 0.00 0.09 -0.43 0.00 -0.00 0.00 0.00 57.72 57.39 3b6p n HIS 10 Cb 0.00 0.45 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 3b6p n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3b6p s MET 11 N -2.00 3.37 0.32 1.57 1.00 -1.26 -4.37 119.30 117.92 3b6p s MET 11 Ca 0.00 1.31 0.19 0.00 0.00 0.00 0.00 55.69 57.18 3b6p s MET 11 Cb 0.00 -4.16 0.15 0.00 0.00 0.00 0.00 34.83 30.81 3b6p s MET 11 CO 0.00 -1.81 1.43 1.96 0.00 0.00 0.00 175.02 176.60 3b6p h GLN 12 N 12.44 0.00 -3.86 2.03 1.08 -1.70 -3.42 115.11 121.68 3b6p h GLN 12 Ca -0.32 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.51 3b6p h GLN 12 Cb 1.15 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.25 3b6p h GLN 12 CO 1.05 0.27 -0.76 0.99 -0.95 0.00 0.00 178.83 179.42 3b6p s THR 13 N -3.08 0.33 -0.21 -0.54 2.01 -1.09 -1.49 115.64 111.57 3b6p s THR 13 Ca 0.04 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 3b6p s THR 13 Cb 0.07 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 3b6p s THR 13 CO 0.73 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 174.09 3b6p s LEU 14 N 0.94 3.30 -0.37 4.42 1.43 0.55 -1.62 118.68 127.32 3b6p s LEU 14 Ca -0.11 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3b6p s LEU 14 Cb -0.14 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.28 3b6p s LEU 14 CO -0.01 0.04 0.17 -0.63 0.23 0.00 0.00 176.35 176.16 3b6p s ILE 15 N 1.14 4.08 -0.10 -0.59 1.01 0.40 -0.35 121.20 126.79 3b6p s ILE 15 Ca 0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 3b6p s ILE 15 Cb -0.14 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3b6p s ILE 15 CO 0.02 -0.29 1.15 -0.36 0.00 0.00 0.00 174.94 175.45 3b6p s PHE 16 N 1.44 3.23 -0.01 3.97 0.08 0.23 -0.11 117.98 126.81 3b6p s PHE 16 Ca 0.01 1.30 0.07 0.00 0.12 0.00 0.00 56.93 58.42 3b6p s PHE 16 Cb -0.20 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 38.86 3b6p s PHE 16 CO 0.03 -1.03 -0.22 -1.17 -0.10 0.00 0.00 175.22 172.73 3b6p s LEU 17 N 2.46 2.06 -0.12 -0.37 1.98 0.13 -0.88 118.68 123.93 3b6p s LEU 17 Ca 0.53 -0.42 -0.09 0.00 -2.89 0.00 0.00 54.13 51.25 3b6p s LEU 17 Cb -0.22 -1.14 0.04 0.00 0.66 0.00 0.00 46.19 45.53 3b6p s LEU 17 CO 0.18 0.26 0.30 -0.62 -1.89 0.00 0.00 176.35 174.59 3b6p s ASP 18 N -0.60 -0.33 -0.03 3.68 2.15 -1.07 -4.28 116.67 116.18 3b6p s ASP 18 Ca 0.09 0.62 0.04 0.00 0.43 0.00 0.00 52.55 53.73 3b6p s ASP 18 Cb -0.09 0.59 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3b6p s ASP 18 CO -0.01 -0.13 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.97 3b6p s LEU 19 N 0.51 2.76 0.05 -1.34 1.43 -1.26 -1.89 118.68 118.93 3b6p s LEU 19 Ca -0.03 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3b6p s LEU 19 Cb -0.04 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3b6p s LEU 19 CO -0.03 0.33 0.07 -1.61 0.23 0.00 0.00 176.35 175.34 3b6p s GLU 20 N -0.91 2.91 0.31 1.70 0.41 0.90 -4.91 118.70 119.12 3b6p s GLU 20 Ca 0.13 -0.63 -0.02 0.00 -0.41 0.00 0.00 54.97 54.04 3b6p s GLU 20 Cb -0.11 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.48 3b6p s GLU 20 CO 0.02 0.59 0.39 0.00 -0.49 0.00 0.00 175.26 175.78 3b6p s ALA 21 N -1.30 0.88 0.14 5.21 0.00 -1.26 0.20 121.76 125.64 3b6p s ALA 21 Ca 0.26 -1.56 0.34 0.00 0.00 0.00 0.00 51.96 51.01 3b6p s ALA 21 Cb -0.12 1.23 1.42 0.00 0.00 0.00 0.00 23.12 25.65 3b6p s ALA 21 CO 0.18 -0.75 2.01 1.79 0.00 0.00 0.00 175.76 178.99 3b6p h THR 22 N 2.20 0.03 0.00 0.00 1.35 -1.66 -3.45 112.91 111.39 3b6p h THR 22 Ca -0.28 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3b6p h THR 22 Cb 1.24 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3b6p h THR 22 CO 0.40 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3b6p n GLY 23 N -0.04 -0.62 3.95 5.82 0.00 -1.26 -0.55 105.19 112.49 3b6p n GLY 23 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 3b6p n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b6p s LEU 24 N 0.00 3.68 0.44 0.99 1.43 -1.26 -4.74 118.68 119.23 3b6p s LEU 24 Ca 0.00 0.29 0.25 0.00 -1.03 0.00 0.00 54.13 53.63 3b6p s LEU 24 Cb 0.00 -3.17 1.26 0.00 0.03 0.00 0.00 46.19 44.31 3b6p s LEU 24 CO 0.00 -0.66 1.77 -0.65 0.23 0.00 0.00 176.35 177.04 3b6p h PRO 25 N 0.44 0.24 0.00 1.29 0.11 -1.98 -1.00 132.00 131.10 3b6p h PRO 25 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3b6p h PRO 25 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3b6p h PRO 25 CO 0.57 0.16 -0.13 0.66 -0.21 0.00 0.00 178.00 179.06 3b6p h SER 26 N 0.25 0.00 -0.03 -2.05 4.64 -2.01 -2.64 113.55 111.71 3b6p h SER 26 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3b6p h SER 26 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3b6p h SER 26 CO -0.23 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.32 3b6p n SER 27 N -3.37 1.20 -3.25 4.97 3.41 -0.38 -4.97 113.62 111.24 3b6p n SER 27 Ca -0.01 -1.43 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3b6p n SER 27 Cb 0.32 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3b6p n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b6p n ARG 28 N -0.05 -1.45 -1.84 4.33 1.74 -0.99 -4.96 116.66 113.44 3b6p n ARG 28 Ca 0.19 1.34 -0.31 0.00 -0.77 0.00 0.00 57.85 58.30 3b6p n ARG 28 Cb 0.30 -4.78 0.02 0.00 -1.02 0.00 0.00 32.46 26.97 3b6p n ARG 28 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3b6p s PRO 29 N -3.47 3.42 -0.01 5.56 0.04 -1.26 -5.02 135.00 134.26 3b6p s PRO 29 Ca 0.02 0.85 0.08 0.00 0.04 0.00 0.00 61.00 61.99 3b6p s PRO 29 Cb -0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3b6p s PRO 29 CO 0.79 -0.71 -0.24 -1.21 0.04 0.00 0.00 177.00 175.67 3b6p s GLU 30 N -4.98 1.90 0.16 4.56 2.02 -1.26 -4.91 118.70 116.19 3b6p s GLU 30 Ca 0.57 -0.88 -0.32 0.00 0.02 0.00 0.00 54.97 54.36 3b6p s GLU 30 Cb -0.12 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 3b6p s GLU 30 CO 0.51 0.51 1.58 0.08 0.02 0.00 0.00 175.26 177.96 3b6p s VAL 31 N -0.60 2.60 -0.02 2.63 1.01 -1.26 -1.62 120.40 123.15 3b6p s VAL 31 Ca 0.09 0.43 0.11 0.00 0.00 0.00 0.00 61.98 62.61 3b6p s VAL 31 Cb -0.09 -3.27 -0.17 0.00 0.00 0.00 0.00 36.38 32.84 3b6p s VAL 31 CO -0.00 0.03 0.24 0.35 0.00 0.00 0.00 175.10 175.71 3b6p n THR 32 N 3.98 0.03 -3.66 3.92 -2.24 0.13 -4.44 114.28 112.01 3b6p n THR 32 Ca 0.14 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 3b6p n THR 32 Cb 0.38 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 3b6p n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3b6p s GLU 33 N -2.75 0.75 0.04 -0.78 2.12 -0.94 0.54 118.70 117.67 3b6p s GLU 33 Ca -0.04 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.11 3b6p s GLU 33 Cb 0.07 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.80 3b6p s GLU 33 CO 0.46 -0.11 -0.08 -0.48 -0.54 0.00 0.00 175.26 174.51 3b6p s LEU 34 N 0.18 2.20 -0.04 2.70 0.05 -0.32 -0.07 118.68 123.40 3b6p s LEU 34 Ca -0.01 -0.46 0.00 0.00 0.05 0.00 0.00 54.13 53.71 3b6p s LEU 34 Cb -0.04 -0.25 0.03 0.00 -2.05 0.00 0.00 46.19 43.88 3b6p s LEU 34 CO 0.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 176.35 175.69 3b6p s LEU 36 N 1.12 2.72 -0.33 0.00 1.02 0.59 -2.61 118.68 121.20 3b6p s LEU 36 Ca -0.08 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.75 3b6p s LEU 36 Cb -0.14 -1.62 0.10 0.00 0.02 0.00 0.00 46.19 44.55 3b6p s LEU 36 CO -0.02 0.14 0.06 -0.22 0.02 0.00 0.00 176.35 176.33 3b6p s LEU 37 N 0.52 4.13 -0.18 1.79 2.96 -0.06 -1.09 118.68 126.75 3b6p s LEU 37 Ca -0.08 -2.01 -0.23 0.00 -0.22 0.00 0.00 54.13 51.59 3b6p s LEU 37 Cb -0.16 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3b6p s LEU 37 CO 0.04 -0.38 0.74 0.00 -1.32 0.00 0.00 176.35 175.43 3b6p s ALA 38 N 1.08 3.53 -0.07 5.97 0.00 0.66 -0.60 121.76 132.33 3b6p s ALA 38 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3b6p s ALA 38 Cb -0.19 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3b6p s ALA 38 CO -0.12 -0.61 -0.07 0.08 0.00 0.00 0.00 175.76 175.04 3b6p s VAL 39 N 2.05 0.82 0.47 0.00 1.01 0.52 -2.39 120.40 122.88 3b6p s VAL 39 Ca 0.34 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3b6p s VAL 39 Cb -0.16 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 3b6p s VAL 39 CO 0.11 0.30 1.20 -2.28 0.00 0.00 0.00 175.10 174.44 3b6p s HIS 40 N 1.17 2.79 0.57 5.22 2.46 -1.26 -0.33 115.29 125.90 3b6p s HIS 40 Ca -0.06 1.51 0.26 0.00 0.47 0.00 0.00 55.06 57.24 3b6p s HIS 40 Cb -0.14 -3.45 1.62 0.00 -0.13 0.00 0.00 32.58 30.48 3b6p s HIS 40 CO -0.02 -1.73 2.15 0.07 -2.47 0.00 0.00 174.74 172.74 3b6p h ARG 41 N 1.98 0.00 -0.37 2.88 0.11 -1.52 -1.41 114.38 116.05 3b6p h ARG 41 Ca -0.50 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.44 3b6p h ARG 41 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 3b6p h ARG 41 CO 0.60 0.00 -0.35 0.00 0.10 0.00 0.00 179.97 180.32 3b6p h ARG 42 N 0.00 0.84 -0.15 0.08 3.08 -1.91 -2.73 114.38 113.59 3b6p h ARG 42 Ca 0.06 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.64 3b6p h ARG 42 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3b6p h ARG 42 CO -0.00 1.05 -0.17 0.00 -1.07 0.00 0.00 179.97 179.78 3b6p h ALA 43 N 0.91 1.43 -0.21 0.04 0.00 -1.63 -0.01 119.26 119.78 3b6p h ALA 43 Ca 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3b6p h ALA 43 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3b6p h ALA 43 CO 0.08 0.40 -0.47 -0.07 0.00 0.00 0.00 179.25 179.19 3b6p h LEU 44 N 0.24 0.78 -1.56 0.00 3.38 -1.50 -3.14 115.31 113.51 3b6p h LEU 44 Ca 0.04 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3b6p h LEU 44 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3b6p h LEU 44 CO 0.03 1.20 -0.21 -0.33 0.09 0.00 0.00 178.44 179.21 3b6p h GLU 45 N 0.40 0.00 0.00 1.13 5.08 -1.14 -2.59 114.58 117.46 3b6p h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3b6p h GLU 45 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3b6p h GLU 45 CO 0.10 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 3b6p n ASN 46 N -3.73 0.70 -4.73 1.42 3.02 -0.05 -4.73 115.26 107.15 3b6p n ASN 46 Ca -0.01 0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 54.75 3b6p n ASN 46 Cb 0.32 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 3b6p n ASN 46 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3b6p s THR 47 N -3.23 3.77 0.28 3.41 2.01 -0.98 -5.01 115.64 115.89 3b6p s THR 47 Ca 0.07 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 3b6p s THR 47 Cb 0.11 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 3b6p s THR 47 CO 0.47 0.20 1.15 -0.44 -0.69 0.00 0.00 174.62 175.30 3b6p s SER 48 N 0.34 7.15 0.07 3.53 0.01 -1.26 -4.96 113.70 118.58 3b6p s SER 48 Ca 0.54 2.35 -0.32 0.00 1.31 0.00 0.00 55.95 59.83 3b6p s SER 48 Cb -0.31 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.18 3b6p s SER 48 CO 0.34 -0.24 1.84 2.30 0.41 0.00 0.00 173.24 177.89 3b6p n ILE 49 N 1.22 0.43 -1.51 1.44 -5.35 -1.26 -4.79 119.36 109.53 3b6p n ILE 49 Ca -0.00 -0.08 -0.41 0.00 -0.27 0.00 0.00 62.75 61.99 3b6p n ILE 49 Cb 0.44 -2.03 -0.07 0.00 -1.74 0.00 0.00 39.64 36.24 3b6p n ILE 49 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b6p n SER 50 N 5.87 1.81 -4.71 7.28 7.64 -1.23 -4.94 113.62 125.33 3b6p n SER 50 Ca 0.19 -0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 3b6p n SER 50 Cb 0.35 -1.34 -0.09 0.00 -1.01 0.00 0.00 64.21 62.13 3b6p n SER 50 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3b6p s GLN 51 N 7.87 2.95 0.00 1.43 -0.21 -1.26 -4.90 119.66 125.53 3b6p s GLN 51 Ca 1.11 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 56.00 3b6p s GLN 51 Cb -0.62 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 30.61 3b6p s GLN 51 CO 0.38 0.67 0.00 0.41 -2.12 0.00 0.00 175.29 174.63 3b6p n GLY 52 N 1.68 3.04 2.59 3.09 0.00 -1.26 -4.47 105.19 109.86 3b6p n GLY 52 Ca -0.16 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 3b6p n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b6p s HIS 53 N -2.93 1.08 0.54 1.61 3.76 -1.26 -2.70 115.29 115.39 3b6p s HIS 53 Ca 0.00 -1.59 -0.13 0.00 -0.15 0.00 0.00 55.06 53.18 3b6p s HIS 53 Cb 0.00 -1.28 -0.06 0.00 1.11 0.00 0.00 32.58 32.35 3b6p s HIS 53 CO 0.00 -0.83 0.97 -1.25 -0.85 0.00 0.00 174.74 172.77 3b6p s PRO 54 N 1.35 3.78 0.54 8.40 0.04 -1.26 -5.15 135.00 142.69 3b6p s PRO 54 Ca 0.14 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 3b6p s PRO 54 Cb -0.20 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 3b6p s PRO 54 CO -0.16 -0.35 1.06 -1.25 0.04 0.00 0.00 177.00 176.34 3b6p s PRO 55 N -4.50 3.55 0.65 0.56 0.04 -1.10 -5.03 135.00 129.17 3b6p s PRO 55 Ca 0.56 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 3b6p s PRO 55 Cb -0.10 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3b6p s PRO 55 CO 0.41 -0.63 1.15 -1.25 0.04 0.00 0.00 177.00 176.71 3b6p s PRO 56 N -3.56 2.76 -0.01 0.56 0.04 -1.26 -4.71 135.00 128.81 3b6p s PRO 56 Ca 0.67 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 3b6p s PRO 56 Cb -0.17 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3b6p s PRO 56 CO 0.27 -1.32 1.86 0.08 0.04 0.00 0.00 177.00 177.94 3b6p s VAL 57 N -2.03 3.23 0.43 -0.36 1.01 -1.26 -4.90 120.40 116.52 3b6p s VAL 57 Ca 0.71 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.73 3b6p s VAL 57 Cb -0.25 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 3b6p s VAL 57 CO 0.38 -0.03 1.19 -2.65 0.00 0.00 0.00 175.10 173.99 3b6p n PRO 58 N 7.45 1.71 -2.36 2.72 -0.02 -1.26 -4.95 135.00 138.29 3b6p n PRO 58 Ca 0.19 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3b6p n PRO 58 Cb 0.42 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3b6p n PRO 58 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3b6p s ARG 59 N -2.21 4.40 0.53 -0.52 3.52 -1.26 -4.92 118.95 118.48 3b6p s ARG 59 Ca 0.63 1.84 -0.22 0.00 -0.13 0.00 0.00 55.73 57.85 3b6p s ARG 59 Cb -0.51 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 3b6p s ARG 59 CO 0.57 -0.32 1.34 -2.14 -0.81 0.00 0.00 175.30 173.93 3b6p s PRO 60 N 1.20 3.26 0.54 5.12 0.02 -1.26 -4.96 135.00 138.92 3b6p s PRO 60 Ca 0.60 2.18 -0.22 0.00 0.02 0.00 0.00 61.00 63.59 3b6p s PRO 60 Cb -0.31 -2.30 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 3b6p s PRO 60 CO 0.29 -1.08 1.26 -2.30 -0.33 0.00 0.00 177.00 174.84 3b6p n PRO 61 N -0.91 1.54 0.00 5.54 -0.02 -1.26 -4.94 135.00 134.95 3b6p n PRO 61 Ca 0.10 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3b6p n PRO 61 Cb 0.45 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 3b6p n PRO 61 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3b6p h ARG 62 N 1.30 0.06 -6.05 -0.52 9.65 -1.94 -3.39 114.38 113.49 3b6p h ARG 62 Ca -0.50 -0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 57.78 3b6p h ARG 62 Cb 1.32 -0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.78 3b6p h ARG 62 CO 0.56 0.27 0.70 0.08 2.80 0.00 0.00 179.97 184.39 3b6p s VAL 63 N -5.26 4.25 -0.09 0.20 1.01 -1.26 -4.98 120.40 114.27 3b6p s VAL 63 Ca -0.14 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 3b6p s VAL 63 Cb 0.04 -4.62 0.03 0.00 0.00 0.00 0.00 36.38 31.84 3b6p s VAL 63 CO 0.68 -1.24 0.21 -0.69 0.00 0.00 0.00 175.10 174.06 3b6p s VAL 64 N 4.32 -0.02 -0.22 2.92 1.01 -1.26 -4.71 120.40 122.45 3b6p s VAL 64 Ca 0.33 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 3b6p s VAL 64 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3b6p s VAL 64 CO 0.20 0.03 0.10 -1.81 0.00 0.00 0.00 175.10 173.62 3b6p s ASP 65 N 0.66 5.68 -0.02 3.32 1.01 -1.00 -5.00 116.67 121.31 3b6p s ASP 65 Ca -0.05 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.28 3b6p s ASP 65 Cb -0.06 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 3b6p s ASP 65 CO -0.04 0.09 -0.15 -0.75 0.21 0.00 0.00 175.17 174.54 3b6p s LYS 66 N 0.88 1.28 -0.08 8.23 2.20 -1.26 -0.24 119.74 130.74 3b6p s LYS 66 Ca 0.05 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3b6p s LYS 66 Cb -0.13 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 3b6p s LYS 66 CO 0.03 0.28 0.01 -1.17 -0.36 0.00 0.00 175.35 174.14 3b6p s LEU 67 N -0.21 0.57 -0.13 5.43 2.96 -0.25 -5.00 118.68 122.06 3b6p s LEU 67 Ca 0.03 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3b6p s LEU 67 Cb -0.07 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.23 3b6p s LEU 67 CO 0.00 -0.21 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.16 3b6p s SER 68 N 1.99 2.38 -0.02 3.68 0.15 -1.26 -0.30 113.70 120.32 3b6p s SER 68 Ca 0.05 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.34 3b6p s SER 68 Cb -0.13 -0.99 -0.00 0.00 -1.71 0.00 0.00 66.02 63.20 3b6p s SER 68 CO -0.05 -0.08 -0.09 -0.76 1.20 0.00 0.00 173.24 173.45 3b6p s LEU 69 N 1.55 1.91 -0.12 3.45 1.43 -0.10 -5.01 118.68 121.79 3b6p s LEU 69 Ca 0.04 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 3b6p s LEU 69 Cb -0.13 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 3b6p s LEU 69 CO -0.08 0.09 0.27 0.00 0.23 0.00 0.00 176.35 176.85 3b6p s ILE 71 N -0.23 1.70 -0.14 0.00 1.01 0.19 -4.60 121.20 119.12 3b6p s ILE 71 Ca 0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 3b6p s ILE 71 Cb -0.13 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3b6p s ILE 71 CO 0.05 0.48 1.15 0.00 0.00 0.00 0.00 174.94 176.63 3b6p s ALA 72 N 0.27 3.58 0.67 9.38 0.00 -0.61 -4.29 121.76 130.75 3b6p s ALA 72 Ca -0.12 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 3b6p s ALA 72 Cb -0.15 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3b6p s ALA 72 CO 0.05 -0.93 1.01 -1.25 0.00 0.00 0.00 175.76 174.64 3b6p s PRO 73 N 2.82 2.73 0.08 0.00 0.04 -1.26 -4.09 135.00 135.32 3b6p s PRO 73 Ca 0.51 0.15 0.25 0.00 0.04 0.00 0.00 61.00 61.96 3b6p s PRO 73 Cb -0.20 -2.14 0.52 0.00 0.04 0.00 0.00 34.50 32.72 3b6p s PRO 73 CO 0.15 -0.97 1.45 0.41 0.04 0.00 0.00 177.00 178.09 3b6p n GLY 74 N -2.85 -1.41 3.24 0.56 0.00 -1.26 -4.90 105.19 98.58 3b6p n GLY 74 Ca 0.06 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3b6p n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b6p s LYS 75 N -3.10 1.04 0.50 1.61 -2.85 -1.26 -5.15 119.74 110.53 3b6p s LYS 75 Ca 0.09 -1.37 -0.20 0.00 -1.00 0.00 0.00 55.97 53.49 3b6p s LYS 75 Cb 0.15 -0.72 -0.08 0.00 -2.06 0.00 0.00 37.83 35.12 3b6p s LYS 75 CO 0.68 0.11 1.05 0.00 0.10 0.00 0.00 175.35 177.29 3b6p s ALA 76 N -2.88 2.84 0.45 0.59 0.00 -1.26 -4.86 121.76 116.64 3b6p s ALA 76 Ca 0.14 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 3b6p s ALA 76 Cb -0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3b6p s ALA 76 CO 0.02 -0.39 1.09 0.00 0.00 0.00 0.00 175.76 176.47 3b6p s SER 78 N -1.63 6.00 0.29 0.00 1.04 0.29 -4.84 113.70 114.85 3b6p s SER 78 Ca 0.63 2.06 0.03 0.00 0.48 0.00 0.00 55.95 59.15 3b6p s SER 78 Cb -0.23 -2.57 0.68 0.00 0.10 0.00 0.00 66.02 64.01 3b6p s SER 78 CO 0.28 -1.02 1.73 -0.65 0.98 0.00 0.00 173.24 174.55 3b6p h PRO 79 N 1.35 0.50 -0.32 4.02 0.11 -1.96 -0.47 132.00 135.22 3b6p h PRO 79 Ca -0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 3b6p h PRO 79 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3b6p h PRO 79 CO 0.58 0.33 -0.23 0.78 -0.21 0.00 0.00 178.00 179.25 3b6p h GLY 80 N 0.51 0.67 1.01 -0.55 0.00 -1.95 -2.45 103.07 100.32 3b6p h GLY 80 Ca 0.54 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3b6p h GLY 80 CO -0.46 0.51 -0.33 0.00 0.00 0.00 0.00 176.54 176.25 3b6p h ALA 81 N 1.21 0.45 -0.38 3.60 0.00 -1.42 -2.91 119.26 119.80 3b6p h ALA 81 Ca 0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3b6p h ALA 81 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3b6p h ALA 81 CO 0.05 0.50 -0.00 0.77 0.00 0.00 0.00 179.25 180.57 3b6p h SER 82 N 0.52 0.57 -0.38 0.00 0.02 -1.25 -2.00 113.55 111.02 3b6p h SER 82 Ca 0.04 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 3b6p h SER 82 Cb 0.91 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3b6p h SER 82 CO 0.08 0.64 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.05 3b6p h GLU 83 N 0.57 0.91 0.12 3.45 4.81 -1.37 -1.74 114.58 121.33 3b6p h GLU 83 Ca 0.12 -0.41 -0.34 0.00 -0.13 0.00 0.00 59.36 58.60 3b6p h GLU 83 Cb 0.37 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3b6p h GLU 83 CO 0.01 1.07 -1.79 -0.84 -0.73 0.00 0.00 179.01 176.73 3b6p h ILE 84 N 0.77 0.85 0.04 2.32 3.07 -1.48 -3.38 117.51 119.71 3b6p h ILE 84 Ca 0.09 -2.55 -0.25 0.00 1.55 0.00 0.00 64.86 63.71 3b6p h ILE 84 Cb 0.85 2.61 -0.02 0.00 -0.27 0.00 0.00 36.82 39.98 3b6p h ILE 84 CO 0.07 0.81 -1.22 0.71 -1.05 0.00 0.00 178.15 177.47 3b6p h THR 85 N 0.07 1.47 -0.17 0.16 1.35 -1.46 -3.43 112.91 110.90 3b6p h THR 85 Ca -0.34 -3.17 -0.06 0.00 -0.55 0.00 0.00 66.41 62.29 3b6p h THR 85 Cb 2.04 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 71.23 3b6p h THR 85 CO 0.12 0.87 -0.06 0.61 -0.25 0.00 0.00 175.52 176.81 3b6p n GLY 86 N 1.46 0.60 3.39 5.82 0.00 -0.65 -4.74 105.19 111.07 3b6p n GLY 86 Ca -0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 3b6p n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b6p s LEU 87 N -0.73 2.36 0.06 0.99 1.43 -1.25 -5.07 118.68 116.47 3b6p s LEU 87 Ca 0.00 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 3b6p s LEU 87 Cb 0.00 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3b6p s LEU 87 CO 0.00 0.14 0.24 -0.94 0.23 0.00 0.00 176.35 176.03 3b6p s SER 88 N -2.27 -0.01 0.14 2.29 1.04 -1.26 -4.26 113.70 109.37 3b6p s SER 88 Ca 0.16 -0.40 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 3b6p s SER 88 Cb -0.09 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3b6p s SER 88 CO 0.07 -0.66 1.72 0.50 0.98 0.00 0.00 173.24 175.86 3b6p h LYS 89 N 3.06 0.11 -0.64 4.02 3.64 -1.94 -1.18 116.57 123.63 3b6p h LYS 89 Ca -0.33 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 3b6p h LYS 89 Cb 1.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3b6p h LYS 89 CO 0.50 0.07 0.38 0.00 -2.27 0.00 0.00 179.45 178.14 3b6p h ALA 90 N 1.21 0.82 -0.14 5.00 0.00 -1.98 0.54 119.26 124.72 3b6p h ALA 90 Ca 0.12 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3b6p h ALA 90 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3b6p h ALA 90 CO -0.19 0.30 -0.51 1.49 0.00 0.00 0.00 179.25 180.35 3b6p h GLU 91 N 0.87 0.37 -0.35 0.00 4.57 -1.93 0.53 114.58 118.63 3b6p h GLU 91 Ca 0.23 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 3b6p h GLU 91 Cb -0.01 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3b6p h GLU 91 CO -0.04 0.79 -0.39 -0.07 -1.18 0.00 0.00 179.01 178.12 3b6p h LEU 92 N 0.29 0.91 -0.07 1.64 3.38 -0.96 -2.82 115.31 117.69 3b6p h LEU 92 Ca 0.01 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3b6p h LEU 92 Cb 0.99 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3b6p h LEU 92 CO 0.09 1.19 -0.01 -0.33 0.09 0.00 0.00 178.44 179.47 3b6p h GLU 93 N 0.70 0.13 0.00 1.13 5.08 -0.65 -0.46 114.58 120.50 3b6p h GLU 93 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3b6p h GLU 93 Cb 0.96 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3b6p h GLU 93 CO 0.09 0.43 -0.08 -0.24 -1.00 0.00 0.00 179.01 178.20 3b6p h VAL 94 N -0.19 0.33 -0.48 3.13 3.04 -0.96 0.17 116.25 121.29 3b6p h VAL 94 Ca 0.02 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3b6p h VAL 94 Cb 0.37 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3b6p h VAL 94 CO 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 176.65 3b6p n GLN 95 N -3.38 3.61 -2.92 4.17 6.02 -1.06 -4.95 117.38 118.86 3b6p n GLN 95 Ca -0.01 -2.36 -0.18 0.00 -0.01 0.00 0.00 57.00 54.44 3b6p n GLN 95 Cb 0.25 -1.93 0.03 0.00 1.02 0.00 0.00 30.24 29.61 3b6p n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b6p n GLY 96 N 0.72 -0.29 3.77 1.08 0.00 0.05 -4.99 105.19 105.53 3b6p n GLY 96 Ca 0.21 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3b6p n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b6p s ARG 97 N -5.53 4.31 0.27 1.61 1.81 -0.19 -5.03 118.95 116.20 3b6p s ARG 97 Ca 0.27 1.60 0.03 0.00 -1.72 0.00 0.00 55.73 55.91 3b6p s ARG 97 Cb -0.12 -2.74 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 3b6p s ARG 97 CO 0.33 -0.03 0.42 -0.65 -0.68 0.00 0.00 175.30 174.69 3b6p s GLN 98 N -2.16 3.46 1.00 3.54 -0.21 -1.26 -4.45 119.66 119.57 3b6p s GLN 98 Ca 0.54 -0.61 -0.13 0.00 0.02 0.00 0.00 55.36 55.17 3b6p s GLN 98 Cb -0.25 -2.82 0.19 0.00 1.00 0.00 0.00 33.01 31.13 3b6p s GLN 98 CO 0.32 0.34 1.12 1.03 -2.12 0.00 0.00 175.29 175.97 3b6p s ARG 99 N -4.05 0.38 -0.95 2.91 1.81 -1.26 -1.58 118.95 116.22 3b6p s ARG 99 Ca 0.36 0.32 -0.24 0.00 -1.72 0.00 0.00 55.73 54.45 3b6p s ARG 99 Cb -0.09 -1.75 -0.04 0.00 -0.45 0.00 0.00 34.95 32.62 3b6p s ARG 99 CO 0.31 -2.72 1.88 0.12 -0.68 0.00 0.00 175.30 174.22 3b6p s PHE 100 N -3.10 1.92 0.26 -0.53 5.36 -1.26 -4.84 117.98 115.78 3b6p s PHE 100 Ca 0.66 0.41 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 3b6p s PHE 100 Cb -0.16 -4.13 0.01 0.00 -0.34 0.00 0.00 43.02 38.40 3b6p s PHE 100 CO 0.56 -1.72 0.04 -0.40 -1.46 0.00 0.00 175.22 172.24 3b6p n ASP 101 N 13.34 2.52 -0.12 6.13 5.68 -1.26 -4.95 116.55 137.89 3b6p n ASP 101 Ca 0.40 -2.07 -0.02 0.00 -0.50 0.00 0.00 54.79 52.61 3b6p n ASP 101 Cb 0.47 0.13 0.22 0.00 -1.14 0.00 0.00 41.12 40.81 3b6p n ASP 101 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3b6p h ASP 102 N 0.54 0.74 -0.68 -1.12 3.32 -1.99 -2.45 116.42 114.79 3b6p h ASP 102 Ca -0.20 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3b6p h ASP 102 Cb 0.63 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3b6p h ASP 102 CO 0.33 0.69 0.39 -1.13 -1.72 0.00 0.00 179.24 177.80 3b6p h ASN 103 N 0.79 0.85 -0.16 6.45 -1.24 -1.96 -1.06 115.58 119.25 3b6p h ASN 103 Ca 0.18 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.05 3b6p h ASN 103 Cb 0.20 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3b6p h ASN 103 CO -0.01 0.68 -0.16 0.25 -1.29 0.00 0.00 177.43 176.91 3b6p h LEU 104 N 0.97 0.55 -0.62 0.34 5.85 -1.79 -0.79 115.31 119.83 3b6p h LEU 104 Ca 0.25 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3b6p h LEU 104 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3b6p h LEU 104 CO -0.04 0.73 -0.04 0.00 -0.34 0.00 0.00 178.44 178.75 3b6p h ALA 105 N 1.33 0.83 -0.45 1.25 0.00 -0.98 -0.56 119.26 120.67 3b6p h ALA 105 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3b6p h ALA 105 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3b6p h ALA 105 CO 0.04 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 3b6p h ILE 106 N 0.94 1.27 -0.51 0.00 2.04 -1.05 -1.14 117.51 119.07 3b6p h ILE 106 Ca 0.16 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.92 3b6p h ILE 106 Cb 0.60 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3b6p h ILE 106 CO 0.04 0.38 0.33 0.25 0.00 0.00 0.00 178.15 179.15 3b6p h LEU 107 N 0.67 0.56 -0.54 1.44 5.85 -1.00 -0.53 115.31 121.75 3b6p h LEU 107 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3b6p h LEU 107 Cb 0.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3b6p h LEU 107 CO 0.03 0.41 0.14 -0.07 -0.34 0.00 0.00 178.44 178.61 3b6p h LEU 108 N 0.67 0.81 -0.49 2.25 3.38 -1.02 -2.05 115.31 118.87 3b6p h LEU 108 Ca 0.19 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3b6p h LEU 108 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3b6p h LEU 108 CO -0.05 0.82 0.15 -0.09 0.09 0.00 0.00 178.44 179.36 3b6p h ARG 109 N 0.76 0.77 -0.17 1.13 2.43 -0.95 -0.89 114.38 117.47 3b6p h ARG 109 Ca 0.17 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3b6p h ARG 109 Cb 0.32 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3b6p h ARG 109 CO -0.00 0.73 -0.26 0.00 -1.51 0.00 0.00 179.97 178.93 3b6p h ALA 110 N 1.01 1.25 -0.26 2.80 0.00 -1.06 -0.07 119.26 122.92 3b6p h ALA 110 Ca 0.16 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3b6p h ALA 110 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3b6p h ALA 110 CO -0.00 0.50 -0.17 0.35 0.00 0.00 0.00 179.25 179.93 3b6p h PHE 111 N 0.27 0.67 -0.04 0.00 3.57 -1.16 -3.08 116.94 117.17 3b6p h PHE 111 Ca 0.04 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 3b6p h PHE 111 Cb 0.61 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3b6p h PHE 111 CO 0.01 0.85 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.39 3b6p h LEU 112 N 0.29 0.10 -1.27 0.59 3.38 -0.93 -2.94 115.31 114.54 3b6p h LEU 112 Ca 0.05 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3b6p h LEU 112 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3b6p h LEU 112 CO 0.05 0.57 -0.27 -0.61 0.09 0.00 0.00 178.44 178.27 3b6p h GLN 113 N 0.08 0.00 0.00 1.13 4.15 -1.03 -2.43 115.11 117.02 3b6p h GLN 113 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3b6p h GLN 113 Cb 0.88 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3b6p h GLN 113 CO 0.07 0.27 0.00 0.54 -1.93 0.00 0.00 178.83 177.77 3b6p n ARG 114 N -3.58 0.07 -3.75 1.69 1.74 -1.11 -4.77 116.66 106.96 3b6p n ARG 114 Ca -0.01 0.24 -0.37 0.00 -0.77 0.00 0.00 57.85 56.95 3b6p n ARG 114 Cb 0.41 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 3b6p n ARG 114 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3b6p s GLN 115 N -3.09 3.77 0.22 5.56 -1.52 -0.92 -5.07 119.66 118.63 3b6p s GLN 115 Ca 0.08 -0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.14 3b6p s GLN 115 Cb 0.11 -3.27 -0.10 0.00 -0.22 0.00 0.00 33.01 29.53 3b6p s GLN 115 CO 0.37 0.59 1.46 -1.25 -0.25 0.00 0.00 175.29 176.22 3b6p s PRO 116 N -0.54 4.26 0.34 2.91 0.04 -1.26 -5.00 135.00 135.76 3b6p s PRO 116 Ca 0.15 2.30 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 3b6p s PRO 116 Cb -0.13 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3b6p s PRO 116 CO 0.04 -0.46 0.64 -0.65 0.04 0.00 0.00 177.00 176.61 3b6p s GLN 117 N 0.04 3.67 0.47 4.56 -1.52 -1.26 -3.96 119.66 121.66 3b6p s GLN 117 Ca 0.62 0.16 -0.20 0.00 -1.95 0.00 0.00 55.36 53.99 3b6p s GLN 117 Cb -0.42 -2.54 -0.09 0.00 -0.22 0.00 0.00 33.01 29.74 3b6p s GLN 117 CO 0.40 0.10 0.99 -2.14 -0.25 0.00 0.00 175.29 174.39 3b6p s PRO 118 N -3.76 4.00 0.01 2.91 0.02 -1.26 -4.63 135.00 132.28 3b6p s PRO 118 Ca 0.46 1.17 0.03 0.00 0.02 0.00 0.00 61.00 62.68 3b6p s PRO 118 Cb -0.10 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3b6p s PRO 118 CO 0.32 -0.24 -0.03 0.00 -0.33 0.00 0.00 177.00 176.72 3b6p s LEU 121 N 1.18 4.38 -0.21 0.00 1.43 0.30 -0.45 118.68 125.32 3b6p s LEU 121 Ca -0.07 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 3b6p s LEU 121 Cb -0.14 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.73 3b6p s LEU 121 CO -0.01 -0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.61 3b6p s VAL 122 N 0.63 2.61 -0.01 -1.59 1.01 0.85 -0.48 120.40 123.41 3b6p s VAL 122 Ca 0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3b6p s VAL 122 Cb -0.20 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3b6p s VAL 122 CO 0.24 0.42 0.03 0.00 0.00 0.00 0.00 175.10 175.79 3b6p s ALA 123 N 1.35 -0.05 -0.17 5.51 0.00 -1.12 0.17 121.76 127.44 3b6p s ALA 123 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 3b6p s ALA 123 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 3b6p s ALA 123 CO -0.08 -0.03 1.16 -1.58 0.00 0.00 0.00 175.76 175.22 3b6p s HIS 124 N 0.22 3.12 -1.59 0.00 2.46 -1.26 -2.18 115.29 116.06 3b6p s HIS 124 Ca -0.02 1.24 -0.03 0.00 0.47 0.00 0.00 55.06 56.72 3b6p s HIS 124 Cb -0.03 -3.39 0.01 0.00 -0.13 0.00 0.00 32.58 29.05 3b6p s HIS 124 CO -0.01 -1.11 0.40 -1.71 -2.47 0.00 0.00 174.74 169.85 3b6p n ASN 125 N 6.19 -5.85 -0.07 9.88 4.05 -1.26 -4.86 115.26 123.34 3b6p n ASN 125 Ca 0.12 -0.19 -0.08 0.00 0.45 0.00 0.00 54.58 54.88 3b6p n ASN 125 Cb 0.46 -4.78 0.08 0.00 1.23 0.00 0.00 39.78 36.77 3b6p n ASN 125 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 3b6p h GLY 126 N -0.91 0.80 1.97 8.20 0.00 -1.79 -1.86 103.07 109.48 3b6p h GLY 126 Ca -0.51 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.05 3b6p h GLY 126 CO 0.56 0.66 -0.18 -0.55 0.00 0.00 0.00 176.54 177.04 3b6p h ASP 127 N 0.62 0.04 -0.00 0.19 3.32 -1.90 0.18 116.42 118.87 3b6p h ASP 127 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3b6p h ASP 127 Cb 0.82 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3b6p h ASP 127 CO 0.07 0.22 -0.57 0.54 -1.72 0.00 0.00 179.24 177.78 3b6p n ARG 128 N -4.31 2.32 0.00 3.56 1.74 -1.19 -4.61 116.66 114.17 3b6p n ARG 128 Ca -0.02 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3b6p n ARG 128 Cb 0.25 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3b6p n ARG 128 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3b6p n TYR 129 N -1.05 0.00 0.10 -1.55 9.36 -0.70 -4.91 117.16 118.40 3b6p n TYR 129 Ca 0.03 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.12 3b6p n TYR 129 Cb 0.23 0.34 -0.08 0.00 -0.63 0.00 0.00 39.34 39.21 3b6p n TYR 129 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3b6p h ASP 130 N 0.00 -0.14 -0.11 2.98 3.32 -1.54 -1.94 116.42 118.99 3b6p h ASP 130 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3b6p h ASP 130 Cb 0.00 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3b6p h ASP 130 CO 0.00 -0.06 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.18 3b6p h PHE 131 N -0.20 0.23 -0.97 4.55 0.05 -0.97 -1.55 116.94 118.07 3b6p h PHE 131 Ca -0.02 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.73 3b6p h PHE 131 Cb 0.16 -0.06 -0.05 0.00 2.00 0.00 0.00 35.95 38.01 3b6p h PHE 131 CO -0.06 0.50 0.61 -1.35 -0.18 0.00 0.00 178.31 177.83 3b6p h PRO 132 N -0.11 1.30 -0.23 1.51 0.11 -1.72 -0.81 132.00 132.04 3b6p h PRO 132 Ca 0.03 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3b6p h PRO 132 Cb 0.42 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3b6p h PRO 132 CO 0.01 0.89 0.01 1.25 -0.21 0.00 0.00 178.00 179.94 3b6p h LEU 133 N 1.33 0.40 -1.32 2.35 6.46 -1.32 -0.99 115.31 122.22 3b6p h LEU 133 Ca 0.35 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 3b6p h LEU 133 Cb -0.10 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 3b6p h LEU 133 CO -0.07 0.60 0.03 0.25 -0.62 0.00 0.00 178.44 178.63 3b6p h LEU 134 N 0.19 0.45 -0.77 2.25 5.85 -1.20 -1.57 115.31 120.51 3b6p h LEU 134 Ca 0.07 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3b6p h LEU 134 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3b6p h LEU 134 CO 0.01 0.50 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.93 3b6p h GLN 135 N 0.47 0.86 -0.63 1.25 5.75 -0.90 -1.88 115.11 120.04 3b6p h GLN 135 Ca 0.11 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 3b6p h GLN 135 Cb 0.27 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3b6p h GLN 135 CO 0.00 0.91 0.04 1.15 -2.65 0.00 0.00 178.83 178.28 3b6p h THR 136 N 0.79 1.26 -0.30 2.39 2.02 -0.57 -2.14 112.91 116.36 3b6p h THR 136 Ca 0.14 -1.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.05 3b6p h THR 136 Cb 0.57 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3b6p h THR 136 CO 0.03 0.41 -0.43 -0.33 0.37 0.00 0.00 175.52 175.57 3b6p h GLU 137 N 0.99 0.74 0.00 6.66 4.39 -1.15 -3.08 114.58 123.12 3b6p h GLU 137 Ca 0.18 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3b6p h GLU 137 Cb 0.52 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3b6p h GLU 137 CO 0.02 1.03 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.74 3b6p h LEU 138 N 0.60 0.00 -0.89 1.33 3.38 -1.32 -3.15 115.31 115.26 3b6p h LEU 138 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3b6p h LEU 138 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3b6p h LEU 138 CO 0.09 0.09 -0.29 0.00 0.09 0.00 0.00 178.44 178.42 3b6p h ALA 139 N 1.91 0.97 0.00 1.53 0.00 -1.29 -2.92 119.26 119.45 3b6p h ALA 139 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3b6p h ALA 139 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3b6p h ALA 139 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3b6p h ARG 140 N 0.00 0.00 -6.42 0.00 3.08 -1.55 -3.46 114.38 106.03 3b6p h ARG 140 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3b6p h ARG 140 Cb 0.88 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 3b6p h ARG 140 CO 0.04 0.00 -0.01 -0.51 -1.07 0.00 0.00 179.97 178.42 3b6p s LEU 141 N -5.16 4.33 0.18 3.04 1.43 -1.11 -4.99 118.68 116.41 3b6p s LEU 141 Ca 0.05 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 3b6p s LEU 141 Cb 0.09 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.99 3b6p s LEU 141 CO 0.52 0.07 1.46 0.77 0.23 0.00 0.00 176.35 179.39 3b6p h SER 142 N 3.48 0.54 -3.89 2.29 4.64 -1.89 -3.45 113.55 115.28 3b6p h SER 142 Ca -0.48 -0.33 -0.50 0.00 -0.47 0.00 0.00 61.79 60.01 3b6p h SER 142 Cb 1.19 -0.16 0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3b6p h SER 142 CO 0.66 1.05 0.48 0.42 -0.87 0.00 0.00 176.83 178.57 3b6p s THR 143 N -3.76 3.40 0.63 2.95 -4.23 -1.26 -5.01 115.64 108.36 3b6p s THR 143 Ca -0.06 1.26 -0.18 0.00 -1.18 0.00 0.00 61.69 61.52 3b6p s THR 143 Cb 0.11 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 3b6p s THR 143 CO 0.84 0.19 1.12 -0.81 -0.54 0.00 0.00 174.62 175.42 3b6p n PRO 144 N 0.54 1.00 -1.78 3.99 -0.04 -1.26 -4.90 135.00 132.55 3b6p n PRO 144 Ca 0.02 0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 63.45 3b6p n PRO 144 Cb 0.46 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 3b6p n PRO 144 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3b6p s SER 145 N -1.31 6.46 0.58 3.54 0.15 -1.26 -4.90 113.70 116.96 3b6p s SER 145 Ca 0.79 2.74 0.36 0.00 0.70 0.00 0.00 55.95 60.54 3b6p s SER 145 Cb -0.40 -2.58 1.70 0.00 -1.71 0.00 0.00 66.02 63.03 3b6p s SER 145 CO 0.44 -0.95 2.11 1.55 1.20 0.00 0.00 173.24 177.59 3b6p h PRO 146 N 7.70 0.00 -1.11 5.44 0.13 -1.91 -2.82 132.00 139.42 3b6p h PRO 146 Ca -0.44 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.32 3b6p h PRO 146 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 3b6p h PRO 146 CO 0.94 0.02 0.47 1.28 -0.23 0.00 0.00 178.00 180.48 3b6p n LEU 147 N -3.15 5.87 0.19 1.56 4.77 -1.26 -4.65 117.00 120.33 3b6p n LEU 147 Ca -0.01 -3.10 -0.15 0.00 -0.03 0.00 0.00 56.01 52.73 3b6p n LEU 147 Cb 0.23 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 3b6p n LEU 147 CO 0.25 1.00 0.76 -2.24 -1.33 0.00 0.00 177.39 175.84 3b6p h ASP 148 N 0.96 -0.38 -0.41 -1.43 3.04 -1.90 -3.26 116.42 113.05 3b6p h ASP 148 Ca 0.40 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 54.21 3b6p h ASP 148 Cb 1.78 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 40.18 3b6p h ASP 148 CO 0.81 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 3b6p n GLY 149 N -1.28 3.18 3.88 7.15 0.00 -1.26 -4.63 105.19 112.23 3b6p n GLY 149 Ca -0.10 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3b6p n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6p s THR 150 N -1.87 4.92 0.52 2.61 -4.23 -1.23 -4.69 115.64 111.67 3b6p s THR 150 Ca 0.38 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 3b6p s THR 150 Cb 0.26 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.50 3b6p s THR 150 CO 0.16 -0.15 0.71 -0.36 -0.54 0.00 0.00 174.62 174.44 3b6p s PHE 151 N -1.91 2.43 0.02 3.99 0.08 0.12 -1.53 117.98 121.18 3b6p s PHE 151 Ca 0.48 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 3b6p s PHE 151 Cb -0.11 -2.51 0.03 0.00 -0.57 0.00 0.00 43.02 39.86 3b6p s PHE 151 CO 0.23 -0.81 0.36 0.00 -0.10 0.00 0.00 175.22 174.89 3b6p s VAL 153 N -2.03 0.04 -0.11 0.00 0.11 0.36 -2.69 120.40 116.09 3b6p s VAL 153 Ca -0.08 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 3b6p s VAL 153 Cb -0.02 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3b6p s VAL 153 CO 0.00 -0.18 0.48 -0.62 -3.33 0.00 0.00 175.10 171.46 3b6p s ASP 154 N -1.20 6.70 0.39 3.54 -1.08 -1.26 -2.80 116.67 120.96 3b6p s ASP 154 Ca -0.12 0.83 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 3b6p s ASP 154 Cb -0.04 -2.29 0.53 0.00 -1.46 0.00 0.00 42.92 39.66 3b6p s ASP 154 CO 0.05 0.01 1.67 0.77 0.52 0.00 0.00 175.17 178.19 3b6p h SER 155 N 6.67 0.00 -0.21 -0.34 4.64 -1.81 -2.77 113.55 119.74 3b6p h SER 155 Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3b6p h SER 155 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3b6p h SER 155 CO 0.75 0.00 0.07 0.40 -0.87 0.00 0.00 176.83 177.19 3b6p h ILE 156 N 0.00 1.17 -0.10 0.95 2.04 -1.92 0.20 117.51 119.86 3b6p h ILE 156 Ca 0.00 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 3b6p h ILE 156 Cb 0.90 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3b6p h ILE 156 CO 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 178.15 178.10 3b6p h ALA 157 N 0.91 1.45 0.18 1.87 0.00 -1.95 -1.34 119.26 120.39 3b6p h ALA 157 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3b6p h ALA 157 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b6p h ALA 157 CO -0.00 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 3b6p h ALA 158 N 1.63 -0.24 0.00 0.00 0.00 -1.19 -3.08 119.26 116.37 3b6p h ALA 158 Ca 0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3b6p h ALA 158 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3b6p h ALA 158 CO 0.03 -0.42 -0.36 -0.07 0.00 0.00 0.00 179.25 178.43 3b6p h LEU 159 N -0.68 0.00 -0.24 0.00 -0.00 -0.53 -2.16 115.31 111.71 3b6p h LEU 159 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3b6p h LEU 159 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 3b6p h LEU 159 CO 0.04 0.36 0.09 0.11 -0.00 0.00 0.00 178.44 179.04 3b6p h LYS 160 N 0.00 0.36 0.00 1.13 1.57 -1.33 -0.36 116.57 117.93 3b6p h LYS 160 Ca -0.00 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3b6p h LYS 160 Cb 0.70 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3b6p h LYS 160 CO 0.05 0.41 -0.41 0.00 -0.57 0.00 0.00 179.45 178.93 3b6p h ALA 161 N 0.93 1.26 0.04 3.86 0.00 -1.41 0.28 119.26 124.22 3b6p h ALA 161 Ca 0.08 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 3b6p h ALA 161 Cb 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3b6p h ALA 161 CO -0.01 0.51 -0.90 -0.07 0.00 0.00 0.00 179.25 178.79 3b6p h LEU 162 N 0.00 0.72 -0.30 0.00 3.38 -1.30 -3.31 115.31 114.50 3b6p h LEU 162 Ca -0.00 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 3b6p h LEU 162 Cb 0.76 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3b6p h LEU 162 CO 0.05 1.42 -0.15 -0.33 0.09 0.00 0.00 178.44 179.53 3b6p h GLU 163 N 0.11 0.00 -2.21 1.13 5.08 -0.99 -3.26 114.58 114.44 3b6p h GLU 163 Ca -0.12 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.43 3b6p h GLU 163 Cb 1.60 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.58 3b6p h GLU 163 CO 0.18 0.15 1.05 1.04 -1.00 0.00 0.00 179.01 180.43 3b6p n GLN 164 N -3.16 5.01 0.00 2.33 6.02 0.08 -5.08 117.38 122.58 3b6p n GLN 164 Ca 0.03 -4.47 0.00 0.00 -0.01 0.00 0.00 57.00 52.54 3b6p n GLN 164 Cb 0.54 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.37 3b6p n GLN 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b6p n ALA 165 N -0.13 0.00 -0.12 -1.58 0.00 -1.23 -4.86 120.51 112.60 3b6p n ALA 165 Ca 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 3b6p n ALA 165 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 3b6p n ALA 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b6p n LYS 175 N 0.00 0.54 -2.59 0.00 4.76 -1.26 -5.08 118.16 114.54 3b6p n LYS 175 Ca 0.00 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 3b6p n LYS 175 Cb 0.19 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3b6p n LYS 175 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b6p s SER 176 N -6.56 7.20 -0.34 4.39 0.15 -1.26 -4.95 113.70 112.32 3b6p s SER 176 Ca -0.32 1.72 0.07 0.00 0.70 0.00 0.00 55.95 58.12 3b6p s SER 176 Cb 0.10 -2.56 0.53 0.00 -1.71 0.00 0.00 66.02 62.37 3b6p s SER 176 CO 0.48 -0.44 1.56 -1.22 1.20 0.00 0.00 173.24 174.81 3b6p n TYR 177 N 4.62 1.62 -1.60 3.44 4.01 -1.26 -4.44 117.16 123.55 3b6p n TYR 177 Ca 0.09 -1.77 -0.31 0.00 -0.16 0.00 0.00 57.90 55.75 3b6p n TYR 177 Cb 0.48 -0.61 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 3b6p n TYR 177 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3b6p s SER 178 N -2.37 5.21 0.23 7.72 1.04 -1.26 -4.88 113.70 119.38 3b6p s SER 178 Ca 0.48 1.74 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 3b6p s SER 178 Cb 0.43 -2.51 0.33 0.00 0.10 0.00 0.00 66.02 64.36 3b6p s SER 178 CO 0.02 -1.56 1.79 0.25 0.98 0.00 0.00 173.24 174.71 3b6p h LEU 179 N -0.54 0.51 -0.68 2.42 5.85 -1.98 -2.21 115.31 118.68 3b6p h LEU 179 Ca -0.45 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 3b6p h LEU 179 Cb 1.22 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3b6p h LEU 179 CO 0.55 0.30 -0.23 1.23 -0.34 0.00 0.00 178.44 179.95 3b6p h GLY 180 N 0.64 0.85 1.08 3.75 0.00 -1.98 -2.64 103.07 104.78 3b6p h GLY 180 Ca 0.35 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3b6p h GLY 180 CO -0.25 0.67 -0.26 1.76 0.00 0.00 0.00 176.54 178.46 3b6p h SER 181 N 0.68 0.96 -0.33 0.19 0.02 -1.74 -1.93 113.55 111.40 3b6p h SER 181 Ca 0.09 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 3b6p h SER 181 Cb 0.74 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3b6p h SER 181 CO 0.06 1.17 -0.25 0.40 -1.14 0.00 0.00 176.83 177.08 3b6p h ILE 182 N 0.75 1.29 -0.67 3.27 2.04 -1.45 -2.32 117.51 120.42 3b6p h ILE 182 Ca 0.09 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3b6p h ILE 182 Cb 0.84 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3b6p h ILE 182 CO 0.07 0.45 0.42 0.22 0.00 0.00 0.00 178.15 179.32 3b6p h TYR 183 N 0.52 0.87 0.00 1.37 3.20 -1.45 -1.70 116.97 119.78 3b6p h TYR 183 Ca 0.06 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3b6p h TYR 183 Cb 0.81 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3b6p h TYR 183 CO 0.07 0.57 -0.53 1.79 -1.64 0.00 0.00 178.16 178.42 3b6p h THR 184 N 0.91 1.35 -0.06 1.81 1.35 -1.32 -1.10 112.91 115.85 3b6p h THR 184 Ca 0.24 -1.82 -0.19 0.00 -0.55 0.00 0.00 66.41 64.09 3b6p h THR 184 Cb -0.06 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3b6p h THR 184 CO -0.05 0.52 -0.78 0.03 -0.25 0.00 0.00 175.52 174.99 3b6p h ARG 185 N 0.00 0.38 0.17 4.72 3.08 -1.15 -1.78 114.38 119.80 3b6p h ARG 185 Ca -0.01 -0.34 -0.32 0.00 0.07 0.00 0.00 59.98 59.39 3b6p h ARG 185 Cb 0.95 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.09 3b6p h ARG 185 CO 0.07 0.99 -1.54 -0.07 -1.07 0.00 0.00 179.97 178.35 3b6p h LEU 186 N 0.25 0.56 -0.72 3.04 3.38 -1.19 -3.40 115.31 117.22 3b6p h LEU 186 Ca -0.04 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3b6p h LEU 186 Cb 1.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3b6p h LEU 186 CO 0.13 1.58 0.00 -1.22 0.09 0.00 0.00 178.44 179.02 3b6p n TYR 187 N -3.56 0.00 -1.45 1.13 4.02 -0.43 -4.30 117.16 112.58 3b6p n TYR 187 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.56 3b6p n TYR 187 Cb 1.06 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.32 3b6p n TYR 187 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3b6p n TRP 188 N -0.18 0.00 -4.24 -0.72 7.02 -0.67 -4.89 117.44 113.76 3b6p n TRP 188 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 3b6p n TRP 188 Cb 0.02 -2.94 -0.12 0.00 -2.42 0.00 0.00 31.31 25.85 3b6p n TRP 188 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3b6p s GLN 189 N -3.26 1.02 0.33 -0.99 -0.21 -1.26 -5.03 119.66 110.25 3b6p s GLN 189 Ca 0.00 -1.13 -0.27 0.00 0.02 0.00 0.00 55.36 53.97 3b6p s GLN 189 Cb 0.00 -1.09 -0.09 0.00 1.00 0.00 0.00 33.01 32.82 3b6p s GLN 189 CO 0.00 0.24 1.06 0.00 -2.12 0.00 0.00 175.29 174.46 3b6p s ALA 190 N -1.49 3.26 0.65 6.09 0.00 -1.26 -3.80 121.76 125.21 3b6p s ALA 190 Ca 0.05 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 3b6p s ALA 190 Cb -0.08 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3b6p s ALA 190 CO 0.04 -0.13 1.19 -2.14 0.00 0.00 0.00 175.76 174.72 3b6p s PRO 191 N -1.87 2.65 0.06 0.00 0.02 -1.26 -5.04 135.00 129.56 3b6p s PRO 191 Ca 0.50 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3b6p s PRO 191 Cb -0.27 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3b6p s PRO 191 CO 0.34 -1.44 0.19 0.95 -0.33 0.00 0.00 177.00 176.72 3b6p s THR 192 N -1.85 5.29 -1.32 0.99 -4.23 -1.26 -4.58 115.64 108.68 3b6p s THR 192 Ca 0.75 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3b6p s THR 192 Cb -0.28 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 69.99 3b6p s THR 192 CO 0.39 0.14 0.80 0.47 -0.54 0.00 0.00 174.62 175.88 3b6p n ASP 193 N 0.32 -1.96 -4.76 3.99 8.00 -1.26 -4.68 116.55 116.19 3b6p n ASP 193 Ca -0.06 -0.77 -0.39 0.00 0.71 0.00 0.00 54.79 54.28 3b6p n ASP 193 Cb 0.51 -4.24 0.03 0.00 -0.02 0.00 0.00 41.12 37.40 3b6p n ASP 193 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b6p s SER 194 N -4.19 5.60 -1.82 -2.24 0.01 -1.26 -3.11 113.70 106.68 3b6p s SER 194 Ca 0.11 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.17 3b6p s SER 194 Cb -0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3b6p s SER 194 CO 0.80 -1.35 0.00 1.41 0.41 0.00 0.00 173.24 174.51 3b6p n HIS 195 N -0.62 -0.49 -4.36 2.43 8.25 -1.26 -4.82 115.22 114.35 3b6p n HIS 195 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3b6p n HIS 195 Cb 0.44 -3.51 -0.10 0.00 1.12 0.00 0.00 29.99 27.94 3b6p n HIS 195 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3b6p s THR 196 N -2.84 3.32 0.16 1.59 -4.23 -1.18 -4.12 115.64 108.34 3b6p s THR 196 Ca 0.00 -1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 59.21 3b6p s THR 196 Cb 0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3b6p s THR 196 CO 0.00 0.22 1.77 0.00 -0.54 0.00 0.00 174.62 176.06 3b6p h ALA 197 N 3.98 0.46 -0.09 3.99 0.00 -1.89 -1.04 119.26 124.68 3b6p h ALA 197 Ca -0.49 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 3b6p h ALA 197 Cb 1.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3b6p h ALA 197 CO 0.52 -0.20 -0.89 1.49 0.00 0.00 0.00 179.25 180.16 3b6p h GLU 198 N 0.35 0.75 -0.58 0.00 4.81 -1.90 -2.45 114.58 115.56 3b6p h GLU 198 Ca 0.16 -0.68 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3b6p h GLU 198 Cb 0.10 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3b6p h GLU 198 CO -0.13 1.28 0.36 0.78 -0.73 0.00 0.00 179.01 180.56 3b6p h GLY 199 N 0.53 0.84 2.00 1.92 0.00 -1.69 -1.49 103.07 105.18 3b6p h GLY 199 Ca -0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3b6p h GLY 199 CO 0.18 0.33 -0.57 -0.55 0.00 0.00 0.00 176.54 175.93 3b6p h ASP 200 N 0.78 0.00 -0.29 0.19 3.32 -1.24 -1.63 116.42 117.55 3b6p h ASP 200 Ca 0.21 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3b6p h ASP 200 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3b6p h ASP 200 CO -0.04 0.57 -0.24 0.58 -1.72 0.00 0.00 179.24 178.39 3b6p h VAL 201 N 0.00 1.30 -0.23 -1.35 2.07 -1.17 -0.39 116.25 116.47 3b6p h VAL 201 Ca -0.01 -1.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 3b6p h VAL 201 Cb 1.05 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3b6p h VAL 201 CO 0.07 0.45 -0.36 -0.07 0.02 0.00 0.00 177.57 177.68 3b6p h LEU 202 N 0.43 0.53 -0.43 2.57 3.38 -1.22 -0.54 115.31 120.03 3b6p h LEU 202 Ca 0.05 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3b6p h LEU 202 Cb 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3b6p h LEU 202 CO 0.06 0.85 0.04 0.74 0.09 0.00 0.00 178.44 180.22 3b6p h THR 203 N 0.43 1.25 -0.72 0.22 2.02 -1.26 -1.87 112.91 112.99 3b6p h THR 203 Ca 0.05 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3b6p h THR 203 Cb 0.83 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3b6p h THR 203 CO 0.07 0.33 0.27 0.25 0.37 0.00 0.00 175.52 176.81 3b6p h LEU 204 N 0.58 1.00 -0.31 2.58 5.85 -0.87 -2.21 115.31 121.92 3b6p h LEU 204 Ca 0.13 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3b6p h LEU 204 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3b6p h LEU 204 CO 0.01 0.92 0.19 0.25 -0.34 0.00 0.00 178.44 179.48 3b6p h LEU 205 N 1.03 0.33 -0.71 2.25 5.85 -0.99 -0.42 115.31 122.65 3b6p h LEU 205 Ca 0.24 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3b6p h LEU 205 Cb 0.24 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3b6p h LEU 205 CO -0.02 0.24 0.45 0.28 -0.34 0.00 0.00 178.44 179.05 3b6p h SER 206 N 0.40 0.74 -0.58 1.25 0.02 -1.15 0.43 113.55 114.65 3b6p h SER 206 Ca 0.12 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3b6p h SER 206 Cb -0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3b6p h SER 206 CO -0.04 0.51 0.03 0.40 -1.14 0.00 0.00 176.83 176.59 3b6p h ILE 207 N 0.87 1.26 0.00 3.27 2.04 -1.20 -2.81 117.51 120.94 3b6p h ILE 207 Ca 0.28 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3b6p h ILE 207 Cb 0.02 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3b6p h ILE 207 CO -0.11 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.44 3b6p n GLN 209 N -2.19 0.85 0.10 0.00 6.02 0.08 -3.73 117.38 118.52 3b6p n GLN 209 Ca 0.04 -0.40 -0.13 0.00 -0.01 0.00 0.00 57.00 56.49 3b6p n GLN 209 Cb 0.33 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 3b6p n GLN 209 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 3b6p h TRP 210 N 0.98 -0.20 -2.57 1.08 7.01 -1.52 -3.38 115.95 117.36 3b6p h TRP 210 Ca 0.00 -0.00 -0.60 0.00 2.11 0.00 0.00 58.89 60.40 3b6p h TRP 210 Cb 0.42 0.07 -0.39 0.00 -2.10 0.00 0.00 29.16 27.16 3b6p h TRP 210 CO 0.00 0.03 -0.87 0.15 -2.79 0.00 0.00 178.44 174.96 3b6p s LYS 211 N -5.39 1.30 0.20 2.65 1.02 -1.26 -3.58 119.74 114.67 3b6p s LYS 211 Ca -0.15 -2.40 -0.05 0.00 0.02 0.00 0.00 55.97 53.39 3b6p s LYS 211 Cb 0.04 -1.94 0.13 0.00 -0.52 0.00 0.00 37.83 35.54 3b6p s LYS 211 CO 0.63 -1.35 1.57 -1.35 -0.92 0.00 0.00 175.35 173.93 3b6p h PRO 212 N 5.64 0.75 -0.44 -1.68 0.11 -1.74 -1.50 132.00 133.15 3b6p h PRO 212 Ca 0.23 -0.35 -0.10 0.00 0.11 0.00 0.00 66.00 65.88 3b6p h PRO 212 Cb 0.87 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3b6p h PRO 212 CO 0.46 0.97 -0.12 -0.56 -0.21 0.00 0.00 178.00 178.54 3b6p h GLN 213 N 0.63 0.81 0.00 1.05 -0.00 -1.91 -0.97 115.11 114.73 3b6p h GLN 213 Ca 0.07 -0.28 -0.11 0.00 -0.00 0.00 0.00 58.65 58.33 3b6p h GLN 213 Cb 0.86 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.26 3b6p h GLN 213 CO 0.08 0.89 -0.52 0.00 -0.00 0.00 0.00 178.83 179.27 3b6p h ALA 214 N 1.14 0.66 0.06 0.06 0.00 -1.97 -2.99 119.26 116.22 3b6p h ALA 214 Ca 0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3b6p h ALA 214 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3b6p h ALA 214 CO 0.04 0.65 -0.03 1.25 0.00 0.00 0.00 179.25 181.16 3b6p h LEU 215 N 0.00 -0.07 -0.96 0.00 5.85 -0.99 -2.81 115.31 116.34 3b6p h LEU 215 Ca -0.01 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3b6p h LEU 215 Cb 1.40 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 3b6p h LEU 215 CO 0.07 0.40 0.62 -0.07 -0.34 0.00 0.00 178.44 179.11 3b6p h LEU 216 N -0.55 1.11 -0.94 2.25 3.38 -1.26 0.57 115.31 119.87 3b6p h LEU 216 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3b6p h LEU 216 Cb 0.48 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3b6p h LEU 216 CO 0.01 0.82 0.48 -0.61 0.09 0.00 0.00 178.44 179.23 3b6p h GLN 217 N 1.30 1.23 -0.26 1.13 4.15 -1.60 -0.70 115.11 120.36 3b6p h GLN 217 Ca 0.35 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.48 3b6p h GLN 217 Cb -0.13 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.31 3b6p h GLN 217 CO -0.07 0.90 -0.43 2.35 -1.93 0.00 0.00 178.83 179.65 3b6p h TRP 218 N 1.23 0.76 -0.27 3.99 7.01 -1.10 -3.10 115.95 124.47 3b6p h TRP 218 Ca 0.31 -0.23 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3b6p h TRP 218 Cb 0.03 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3b6p h TRP 218 CO 0.01 0.95 0.05 0.28 -2.79 0.00 0.00 178.44 176.94 3b6p h VAL 219 N 0.51 1.23 0.00 2.65 2.07 -0.44 -1.95 116.25 120.32 3b6p h VAL 219 Ca 0.04 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3b6p h VAL 219 Cb 0.95 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3b6p h VAL 219 CO 0.09 0.25 -0.02 0.44 0.02 0.00 0.00 177.57 178.34 3b6p h ASP 220 N 0.27 0.00 0.63 0.57 3.32 -1.17 -0.03 116.42 120.00 3b6p h ASP 220 Ca 0.08 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.86 3b6p h ASP 220 Cb 0.32 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3b6p h ASP 220 CO 0.00 0.02 -1.51 -0.33 -1.72 0.00 0.00 179.24 175.70 3b6p h GLU 221 N 0.00 0.01 -0.06 3.56 5.08 -1.44 -3.40 114.58 118.33 3b6p h GLU 221 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3b6p h GLU 221 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3b6p h GLU 221 CO 0.00 0.65 0.00 0.72 -1.00 0.00 0.00 179.01 179.39 3b6p n HIS 222 N -3.14 0.08 -2.14 4.33 8.25 -0.75 -5.00 115.22 116.85 3b6p n HIS 222 Ca -0.12 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 56.76 3b6p n HIS 222 Cb 1.02 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.09 3b6p n HIS 222 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b6p s ALA 223 N -0.65 3.63 0.09 -1.41 0.00 -0.06 -4.87 121.76 118.49 3b6p s ALA 223 Ca 0.09 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3b6p s ALA 223 Cb 0.05 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3b6p s ALA 223 CO 0.08 -1.27 -0.06 -0.98 0.00 0.00 0.00 175.76 173.52 3b6p s ARG 224 N 3.66 2.30 0.45 0.00 1.70 -1.09 -4.89 118.95 121.07 3b6p s ARG 224 Ca 0.67 -0.94 -0.25 0.00 -0.47 0.00 0.00 55.73 54.74 3b6p s ARG 224 Cb -0.30 -2.40 -0.08 0.00 -0.57 0.00 0.00 34.95 31.60 3b6p s ARG 224 CO 0.25 0.53 1.39 -2.30 -1.08 0.00 0.00 175.30 174.08 3b6p n PRO 225 N 0.72 2.13 0.25 3.89 -0.02 -1.26 -0.75 135.00 139.96 3b6p n PRO 225 Ca -0.13 0.76 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3b6p n PRO 225 Cb 0.52 -2.56 0.63 0.00 -0.02 0.00 0.00 33.50 32.06 3b6p n PRO 225 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3b6p h PHE 226 N 2.17 0.00 0.00 6.00 3.57 -1.54 -2.62 116.94 124.52 3b6p h PHE 226 Ca -0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 3b6p h PHE 226 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 3b6p h PHE 226 CO 0.49 0.15 -0.07 0.66 -2.23 0.00 0.00 178.31 177.31 3b6p h SER 227 N 0.00 0.00 0.79 0.41 4.64 -1.81 -2.16 113.55 115.41 3b6p h SER 227 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b6p h SER 227 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3b6p h SER 227 CO 0.02 0.07 -0.06 0.35 -0.87 0.00 0.00 176.83 176.33 3b6p n THR 228 N -3.32 0.00 -2.46 2.95 -2.24 -0.99 -4.79 114.28 103.43 3b6p n THR 228 Ca -0.01 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3b6p n THR 228 Cb 0.25 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 3b6p n THR 228 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3b6p s VAL 229 N -2.85 4.32 0.19 2.28 1.01 -0.82 -5.01 120.40 119.52 3b6p s VAL 229 Ca 0.18 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3b6p s VAL 229 Cb 0.19 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 3b6p s VAL 229 CO 0.53 -0.22 1.10 -0.54 0.00 0.00 0.00 175.10 175.97 3b6p s LYS 230 N 3.59 4.60 0.53 2.72 1.02 -1.26 -4.95 119.74 125.99 3b6p s LYS 230 Ca 0.53 1.73 -0.22 0.00 0.02 0.00 0.00 55.97 58.03 3b6p s LYS 230 Cb -0.19 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3b6p s LYS 230 CO 0.15 0.10 1.30 -1.25 -0.92 0.00 0.00 175.35 174.72 3b6p s PRO 231 N -0.53 3.27 0.15 -1.68 0.04 -1.26 -4.40 135.00 130.60 3b6p s PRO 231 Ca 0.49 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 3b6p s PRO 231 Cb -0.30 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 32.03 3b6p s PRO 231 CO 0.36 -1.04 1.77 1.98 0.04 0.00 0.00 177.00 180.10 3b6p h MET 232 N 1.54 0.33 -3.74 4.56 4.05 -1.66 -3.46 114.93 116.55 3b6p h MET 232 Ca -0.50 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 58.82 3b6p h MET 232 Cb 1.29 -0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 31.90 3b6p h MET 232 CO 0.58 0.22 -0.20 1.52 0.23 0.00 0.00 176.91 179.26 3b6p s TYR 233 N -6.16 0.36 0.00 1.39 1.13 -1.26 -5.06 117.35 107.75 3b6p s TYR 233 Ca -0.13 -0.71 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 3b6p s TYR 233 Cb 0.12 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 41.06 3b6p s TYR 233 CO 0.71 -0.87 0.00 0.41 -2.51 0.00 0.00 175.55 173.30