#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8t s TRP 13 N 0.00 -0.09 -0.14 1.61 -2.14 -0.89 -4.78 118.94 112.52 2b8t s TRP 13 Ca 0.00 -0.33 0.01 0.00 2.66 0.00 0.00 56.10 58.44 2b8t s TRP 13 Cb 0.00 0.70 -0.00 0.00 -3.10 0.00 0.00 33.47 31.07 2b8t s TRP 13 CO 0.00 -1.08 -0.18 0.42 -2.66 0.00 0.00 176.95 173.45 2b8t s ILE 14 N -3.23 2.50 -0.13 0.66 1.01 -1.26 -0.21 121.20 120.54 2b8t s ILE 14 Ca 0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2b8t s ILE 14 Cb -0.04 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2b8t s ILE 14 CO 0.05 0.53 -0.03 -1.61 0.00 0.00 0.00 174.94 173.88 2b8t s GLU 15 N 0.67 3.38 -0.18 2.79 2.02 0.74 -1.08 118.70 127.03 2b8t s GLU 15 Ca -0.09 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2b8t s GLU 15 Cb -0.16 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.25 2b8t s GLU 15 CO 0.02 0.41 -0.18 0.12 0.02 0.00 0.00 175.26 175.66 2b8t s PHE 16 N -0.10 2.71 -0.22 1.61 5.36 0.61 -0.15 117.98 127.80 2b8t s PHE 16 Ca 0.03 -1.65 -0.08 0.00 -0.96 0.00 0.00 56.93 54.27 2b8t s PHE 16 Cb -0.13 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.65 2b8t s PHE 16 CO 0.02 -0.79 0.10 0.42 -1.46 0.00 0.00 175.22 173.51 2b8t s ILE 17 N 1.31 4.82 0.05 3.12 1.01 0.16 -0.33 121.20 131.33 2b8t s ILE 17 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2b8t s ILE 17 Cb -0.14 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2b8t s ILE 17 CO -0.12 0.38 0.06 1.07 0.00 0.00 0.00 174.94 176.33 2b8t n THR 18 N 4.22 0.00 0.00 2.92 5.66 0.80 -2.00 114.28 125.88 2b8t n THR 18 Ca -0.16 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2b8t n THR 18 Cb 0.52 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 2b8t n THR 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b8t n GLY 19 N -0.08 0.45 3.14 1.09 0.00 -1.26 0.16 105.19 108.70 2b8t n GLY 19 Ca 0.00 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 2b8t n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b8t n PRO 20 N -0.66 -1.64 -1.95 1.61 -0.04 -1.26 -3.79 135.00 127.27 2b8t n PRO 20 Ca 0.00 -1.64 -0.35 0.00 -0.04 0.00 0.00 63.50 61.47 2b8t n PRO 20 Cb 0.00 -1.22 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2b8t n PRO 20 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2b8t s MET 21 N -5.32 2.93 -1.16 0.54 -1.94 -1.26 -3.41 119.30 109.67 2b8t s MET 21 Ca 0.62 1.67 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 2b8t s MET 21 Cb -0.03 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.87 2b8t s MET 21 CO 0.45 -1.20 0.00 1.19 -0.01 0.00 0.00 175.02 175.45 2b8t n PHE 22 N -1.83 -0.01 0.81 -0.03 3.72 -1.26 -4.61 117.46 114.25 2b8t n PHE 22 Ca 0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.64 2b8t n PHE 22 Cb 0.51 -2.08 0.10 0.00 -0.94 0.00 0.00 39.48 37.07 2b8t n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b8t n ALA 23 N 1.15 3.64 -1.11 4.37 0.00 -1.22 -4.58 120.51 122.76 2b8t n ALA 23 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2b8t n ALA 23 Cb 0.36 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2b8t n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b8t n GLY 24 N 1.44 0.89 0.06 0.00 0.00 -1.26 -4.68 105.19 101.64 2b8t n GLY 24 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 2b8t n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b8t h LYS 25 N 0.00 0.07 -0.68 1.61 1.57 -1.92 -1.17 116.57 116.05 2b8t h LYS 25 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2b8t h LYS 25 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2b8t h LYS 25 CO 0.00 0.16 0.23 1.15 -0.57 0.00 0.00 179.45 180.42 2b8t h THR 26 N -0.04 1.25 -0.99 -0.16 2.02 -1.95 -1.08 112.91 111.97 2b8t h THR 26 Ca 0.02 -0.84 0.16 0.00 0.77 0.00 0.00 66.41 66.52 2b8t h THR 26 Cb 0.12 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 2b8t h THR 26 CO -0.00 0.33 0.62 0.00 0.37 0.00 0.00 175.52 176.83 2b8t h ALA 27 N 1.10 1.67 -0.11 6.16 0.00 -1.81 0.07 119.26 126.35 2b8t h ALA 27 Ca 0.22 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2b8t h ALA 27 Cb 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2b8t h ALA 27 CO -0.01 0.02 -0.59 1.49 0.00 0.00 0.00 179.25 180.15 2b8t h GLU 28 N 0.82 0.60 -0.43 0.00 4.57 -0.53 -0.98 114.58 118.62 2b8t h GLU 28 Ca 0.53 -0.50 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2b8t h GLU 28 Cb 0.75 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.40 2b8t h GLU 28 CO -0.31 1.12 0.11 1.25 -1.18 0.00 0.00 179.01 180.00 2b8t h LEU 29 N 0.23 0.07 -0.69 1.64 5.85 -0.82 -1.42 115.31 120.17 2b8t h LEU 29 Ca -0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2b8t h LEU 29 Cb 1.24 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2b8t h LEU 29 CO 0.12 0.07 0.39 0.40 -0.34 0.00 0.00 178.44 179.08 2b8t h ILE 30 N 0.26 1.21 -0.30 4.05 2.04 -0.89 -1.94 117.51 121.93 2b8t h ILE 30 Ca 0.21 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2b8t h ILE 30 Cb 0.24 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2b8t h ILE 30 CO -0.25 0.23 0.11 -0.09 0.00 0.00 0.00 178.15 178.15 2b8t h ARG 31 N 0.94 0.24 -0.72 2.37 2.43 -0.78 0.88 114.38 119.74 2b8t h ARG 31 Ca 0.24 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2b8t h ARG 31 Cb 0.02 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2b8t h ARG 31 CO -0.04 0.16 0.24 0.00 -1.51 0.00 0.00 179.97 178.82 2b8t h ARG 32 N 0.25 1.10 -0.04 0.20 3.08 -0.93 -2.98 114.38 115.06 2b8t h ARG 32 Ca 0.13 -0.22 -0.23 0.00 0.07 0.00 0.00 59.98 59.74 2b8t h ARG 32 Cb 0.09 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.98 2b8t h ARG 32 CO -0.13 0.93 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.74 2b8t h LEU 33 N 1.07 0.67 -1.66 3.04 3.38 -1.07 -3.21 115.31 117.52 2b8t h LEU 33 Ca 0.24 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2b8t h LEU 33 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2b8t h LEU 33 CO -0.01 1.29 0.31 -0.74 0.09 0.00 0.00 178.44 179.38 2b8t h HIS 34 N 0.33 0.42 -0.61 1.13 2.76 -0.72 -2.40 115.15 116.07 2b8t h HIS 34 Ca -0.08 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.19 2b8t h HIS 34 Cb 1.52 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 2b8t h HIS 34 CO 0.07 0.23 0.40 0.00 -1.30 0.00 0.00 177.93 177.34 2b8t h ARG 35 N 0.43 0.45 0.00 5.26 3.08 -1.53 -2.48 114.38 119.59 2b8t h ARG 35 Ca 0.20 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 2b8t h ARG 35 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2b8t h ARG 35 CO -0.05 0.30 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.76 2b8t h LEU 36 N 0.46 0.00 -1.04 3.04 3.38 -1.58 -3.14 115.31 116.43 2b8t h LEU 36 Ca 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2b8t h LEU 36 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2b8t h LEU 36 CO -0.08 0.32 0.12 -0.33 0.09 0.00 0.00 178.44 178.55 2b8t h GLU 37 N 0.00 0.80 0.00 1.13 5.08 -1.57 0.51 114.58 120.53 2b8t h GLU 37 Ca -0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2b8t h GLU 37 Cb 0.57 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2b8t h GLU 37 CO 0.04 0.73 -0.25 1.88 -1.00 0.00 0.00 179.01 180.41 2b8t h TYR 38 N 0.77 0.00 -0.36 4.33 0.05 -1.69 -2.47 116.97 117.60 2b8t h TYR 38 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 2b8t h TYR 38 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2b8t h TYR 38 CO 0.02 0.25 0.00 0.00 -1.05 0.00 0.00 178.16 177.38 2b8t n ALA 39 N -2.24 2.44 -2.77 3.88 0.00 -0.82 -4.96 120.51 116.04 2b8t n ALA 39 Ca -0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 53.44 52.37 2b8t n ALA 39 Cb 0.44 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.98 2b8t n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2b8t n ASP 40 N 1.24 -4.98 -4.61 0.00 -0.08 -0.68 -5.00 116.55 102.44 2b8t n ASP 40 Ca 0.19 -0.19 -0.36 0.00 -1.51 0.00 0.00 54.79 52.91 2b8t n ASP 40 Cb 0.54 -3.86 -0.10 0.00 2.34 0.00 0.00 41.12 40.04 2b8t n ASP 40 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2b8t s VAL 41 N -2.99 5.05 0.26 5.18 1.01 0.08 -5.01 120.40 123.98 2b8t s VAL 41 Ca 0.20 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 2b8t s VAL 41 Cb -0.09 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2b8t s VAL 41 CO 0.25 0.36 0.91 -0.54 0.00 0.00 0.00 175.10 176.08 2b8t s LYS 42 N 1.07 4.69 0.21 2.72 3.01 -1.26 -4.28 119.74 125.91 2b8t s LYS 42 Ca 0.06 1.36 0.00 0.00 -1.01 0.00 0.00 55.97 56.39 2b8t s LYS 42 Cb -0.14 -3.08 -0.05 0.00 -1.01 0.00 0.00 37.83 33.56 2b8t s LYS 42 CO 0.04 0.43 0.09 1.52 0.51 0.00 0.00 175.35 177.94 2b8t s TYR 43 N -1.36 1.29 -0.09 3.18 -0.85 -1.26 -1.53 117.35 116.75 2b8t s TYR 43 Ca 0.44 -1.24 -0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2b8t s TYR 43 Cb -0.22 -0.71 0.04 0.00 0.38 0.00 0.00 41.96 41.44 2b8t s TYR 43 CO 0.28 -0.45 0.21 -1.17 -1.52 0.00 0.00 175.55 172.90 2b8t s LEU 44 N -3.21 0.75 -0.13 -3.49 2.96 -0.38 -4.96 118.68 110.21 2b8t s LEU 44 Ca 0.35 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 2b8t s LEU 44 Cb 0.07 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.35 2b8t s LEU 44 CO 0.11 -0.13 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.28 2b8t s VAL 45 N 0.88 3.96 0.07 1.68 1.01 -1.26 0.06 120.40 126.81 2b8t s VAL 45 Ca -0.06 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2b8t s VAL 45 Cb -0.08 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2b8t s VAL 45 CO -0.05 0.53 -0.13 -0.36 0.00 0.00 0.00 175.10 175.09 2b8t s PHE 46 N -0.10 2.68 0.02 5.22 0.08 0.11 -0.68 117.98 125.31 2b8t s PHE 46 Ca 0.02 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2b8t s PHE 46 Cb -0.13 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 2b8t s PHE 46 CO 0.02 0.36 -0.03 -1.59 -0.10 0.00 0.00 175.22 173.89 2b8t s LYS 47 N -1.86 0.26 0.86 0.44 -2.85 -0.51 -1.62 119.74 114.46 2b8t s LYS 47 Ca 0.18 -0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 54.59 2b8t s LYS 47 Cb -0.11 0.00 0.11 0.00 -2.06 0.00 0.00 37.83 35.77 2b8t s LYS 47 CO 0.10 -0.02 1.09 -1.25 0.10 0.00 0.00 175.35 175.38 2b8t s PRO 48 N -1.02 1.57 3.87 1.78 0.04 -1.26 -0.76 135.00 139.22 2b8t s PRO 48 Ca -0.10 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2b8t s PRO 48 Cb -0.07 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2b8t s PRO 48 CO -0.01 -2.01 0.00 1.63 0.04 0.00 0.00 177.00 176.65 2b8t n LYS 49 N -3.72 0.00 0.00 4.56 5.02 -0.53 -4.68 118.16 118.80 2b8t n LYS 49 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2b8t n LYS 49 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 2b8t n LYS 49 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2b8t n SER 54 N 6.73 0.00 -0.01 4.39 2.88 -1.26 -4.62 113.62 121.73 2b8t n SER 54 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2b8t n SER 54 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2b8t n SER 54 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2b8t n ILE 55 N 0.00 0.00 1.14 2.46 -5.35 -1.26 -4.44 119.36 111.91 2b8t n ILE 55 Ca 0.00 -0.39 0.12 0.00 -0.27 0.00 0.00 62.75 62.21 2b8t n ILE 55 Cb 0.00 0.22 0.24 0.00 -1.74 0.00 0.00 39.64 38.36 2b8t n ILE 55 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2b8t n ARG 56 N -2.09 0.75 -3.74 6.28 5.12 -1.26 -4.65 116.66 117.06 2b8t n ARG 56 Ca -0.02 -0.50 -0.09 0.00 -1.93 0.00 0.00 57.85 55.30 2b8t n ARG 56 Cb 0.51 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 2b8t n ARG 56 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2b8t s ASN 57 N -2.60 -0.31 0.04 0.55 4.22 -1.26 -1.71 114.94 113.87 2b8t s ASN 57 Ca 0.20 -0.47 0.01 0.00 -2.14 0.00 0.00 52.86 50.46 2b8t s ASN 57 Cb 0.19 0.65 -0.04 0.00 1.28 0.00 0.00 41.25 43.32 2b8t s ASN 57 CO 0.58 -1.17 0.12 0.27 -2.04 0.00 0.00 177.10 174.86 2b8t s ILE 58 N -3.88 4.85 -0.06 0.54 -4.36 -0.31 -4.82 121.20 113.17 2b8t s ILE 58 Ca 0.09 -0.52 -0.11 0.00 -0.26 0.00 0.00 60.65 59.85 2b8t s ILE 58 Cb -0.03 -3.30 0.02 0.00 1.25 0.00 0.00 42.46 40.40 2b8t s ILE 58 CO 0.00 0.22 0.27 0.00 0.24 0.00 0.00 174.94 175.67 2b8t s GLN 59 N -2.17 0.48 0.82 0.37 -2.07 -1.26 -1.37 119.66 114.46 2b8t s GLN 59 Ca 0.28 0.07 -0.08 0.00 -1.82 0.00 0.00 55.36 53.81 2b8t s GLN 59 Cb -0.12 0.22 0.15 0.00 -1.09 0.00 0.00 33.01 32.16 2b8t s GLN 59 CO 0.20 -0.10 1.14 -1.54 -1.32 0.00 0.00 175.29 173.67 2b8t s SER 60 N -0.61 3.90 0.00 12.60 1.04 0.01 -4.83 113.70 125.81 2b8t s SER 60 Ca -0.07 0.05 0.16 0.00 0.48 0.00 0.00 55.95 56.57 2b8t s SER 60 Cb -0.04 -0.33 0.51 0.00 0.10 0.00 0.00 66.02 66.26 2b8t s SER 60 CO 0.02 -2.19 1.39 0.54 0.98 0.00 0.00 173.24 173.98 2b8t n ARG 61 N -3.25 1.81 -0.19 4.02 1.74 -1.26 -2.86 116.66 116.67 2b8t n ARG 61 Ca 0.14 -1.24 0.06 0.00 -0.77 0.00 0.00 57.85 56.03 2b8t n ARG 61 Cb 0.60 -1.34 0.15 0.00 -1.02 0.00 0.00 32.46 30.86 2b8t n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2b8t n THR 62 N 0.48 1.14 -0.55 0.55 -2.24 -1.26 -5.00 114.28 107.40 2b8t n THR 62 Ca 0.14 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2b8t n THR 62 Cb 0.32 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2b8t n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b8t n GLY 63 N 0.33 0.71 3.80 3.38 0.00 -1.14 -5.06 105.19 107.22 2b8t n GLY 63 Ca 0.12 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2b8t n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b8t s THR 64 N -2.00 4.23 0.05 2.61 -4.23 -1.26 -4.90 115.64 110.13 2b8t s THR 64 Ca 0.00 1.60 -0.27 0.00 -1.18 0.00 0.00 61.69 61.84 2b8t s THR 64 Cb 0.00 -3.77 0.07 0.00 1.34 0.00 0.00 72.50 70.13 2b8t s THR 64 CO 0.00 -0.09 0.62 -0.94 -0.54 0.00 0.00 174.62 173.67 2b8t s SER 65 N -1.88 -0.59 0.02 3.99 1.04 -1.26 -0.81 113.70 114.20 2b8t s SER 65 Ca 0.57 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2b8t s SER 65 Cb -0.15 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2b8t s SER 65 CO 0.19 -0.77 -0.02 -0.76 0.98 0.00 0.00 173.24 172.86 2b8t s LEU 66 N -1.92 2.18 0.71 2.42 1.43 -0.47 -5.00 118.68 118.03 2b8t s LEU 66 Ca -0.05 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 2b8t s LEU 66 Cb -0.00 0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.31 2b8t s LEU 66 CO -0.01 -0.22 1.17 -2.16 0.23 0.00 0.00 176.35 175.36 2b8t s PRO 67 N -1.09 2.36 0.08 1.29 0.04 -1.26 -1.16 135.00 135.26 2b8t s PRO 67 Ca -0.12 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 2b8t s PRO 67 Cb -0.07 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2b8t s PRO 67 CO -0.01 -1.63 0.36 -1.54 0.04 0.00 0.00 177.00 174.22 2b8t s SER 68 N -2.25 -0.19 -0.19 6.66 1.04 -0.69 -4.47 113.70 113.61 2b8t s SER 68 Ca 0.71 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 2b8t s SER 68 Cb -0.26 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2b8t s SER 68 CO 0.44 -0.74 0.10 -0.69 0.98 0.00 0.00 173.24 173.33 2b8t s VAL 69 N -3.19 5.16 -0.09 5.02 1.01 0.14 -4.48 120.40 123.97 2b8t s VAL 69 Ca -0.01 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2b8t s VAL 69 Cb 0.01 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2b8t s VAL 69 CO -0.07 0.45 0.25 -1.83 0.00 0.00 0.00 175.10 173.89 2b8t s GLU 70 N 0.33 3.75 0.08 2.72 -1.05 -1.26 -1.43 118.70 121.85 2b8t s GLU 70 Ca 0.06 0.07 0.07 0.00 -0.15 0.00 0.00 54.97 55.02 2b8t s GLU 70 Cb -0.12 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.30 2b8t s GLU 70 CO -0.01 0.65 -0.18 0.14 0.95 0.00 0.00 175.26 176.81 2b8t s VAL 71 N -0.76 1.45 -0.04 1.83 -7.23 0.06 -4.93 120.40 110.78 2b8t s VAL 71 Ca 0.18 -1.39 0.12 0.00 -1.81 0.00 0.00 61.98 59.08 2b8t s VAL 71 Cb -0.14 -1.34 -0.11 0.00 0.56 0.00 0.00 36.38 35.35 2b8t s VAL 71 CO 0.07 -0.09 1.13 -0.33 -0.31 0.00 0.00 175.10 175.57 2b8t h GLU 72 N 4.28 0.00 -3.67 4.82 5.08 -1.87 -1.42 114.58 121.80 2b8t h GLU 72 Ca -0.43 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2b8t h GLU 72 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 2b8t h GLU 72 CO 0.40 0.61 -0.24 -1.54 -1.00 0.00 0.00 179.01 177.25 2b8t s SER 73 N -6.34 -0.03 0.15 1.42 1.04 -1.26 -4.71 113.70 103.96 2b8t s SER 73 Ca 0.00 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.65 2b8t s SER 73 Cb 0.09 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2b8t s SER 73 CO 0.80 -0.84 1.79 0.00 0.98 0.00 0.00 173.24 175.96 2b8t h ALA 74 N 2.54 0.48 -0.30 5.32 0.00 -1.93 -2.87 119.26 122.50 2b8t h ALA 74 Ca -0.33 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2b8t h ALA 74 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2b8t h ALA 74 CO 0.50 -0.04 0.22 -1.35 0.00 0.00 0.00 179.25 178.58 2b8t h PRO 75 N 0.50 0.00 0.00 0.00 0.11 -1.98 -1.20 132.00 129.42 2b8t h PRO 75 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2b8t h PRO 75 Cb -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 2b8t h PRO 75 CO -0.03 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 178.69 2b8t h GLU 76 N 0.00 0.00 -0.14 1.05 5.08 -1.94 -2.20 114.58 116.43 2b8t h GLU 76 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2b8t h GLU 76 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2b8t h GLU 76 CO -0.00 0.01 0.08 0.82 -1.00 0.00 0.00 179.01 178.92 2b8t h ILE 77 N 0.00 1.08 -0.51 3.13 2.04 -1.33 -0.89 117.51 121.03 2b8t h ILE 77 Ca -0.00 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2b8t h ILE 77 Cb 0.02 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2b8t h ILE 77 CO 0.00 0.07 -0.06 -0.07 0.00 0.00 0.00 178.15 178.09 2b8t h LEU 78 N 0.15 0.89 -0.38 1.44 3.38 -1.55 -2.05 115.31 117.20 2b8t h LEU 78 Ca 0.05 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2b8t h LEU 78 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2b8t h LEU 78 CO -0.01 0.98 0.19 0.78 0.09 0.00 0.00 178.44 180.47 2b8t h ASN 79 N 0.82 0.27 -0.51 -0.43 2.35 -1.31 -1.18 115.58 115.59 2b8t h ASN 79 Ca 0.14 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2b8t h ASN 79 Cb 0.57 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2b8t h ASN 79 CO 0.03 0.20 0.32 0.22 -1.65 0.00 0.00 177.43 176.55 2b8t h TYR 80 N 0.38 0.59 0.00 1.19 3.20 -0.94 -2.30 116.97 119.09 2b8t h TYR 80 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2b8t h TYR 80 Cb 0.07 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2b8t h TYR 80 CO -0.10 0.35 -0.19 0.82 -1.64 0.00 0.00 178.16 177.40 2b8t h ILE 81 N 0.64 1.02 -0.00 1.81 2.04 -1.09 -1.92 117.51 120.00 2b8t h ILE 81 Ca 0.20 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2b8t h ILE 81 Cb -0.01 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2b8t h ILE 81 CO -0.07 0.18 -0.05 0.23 0.00 0.00 0.00 178.15 178.44 2b8t n MET 82 N -4.15 0.90 -2.89 2.37 2.81 -0.47 -4.77 117.12 110.92 2b8t n MET 82 Ca -0.02 -0.26 -0.19 0.00 -1.81 0.00 0.00 57.70 55.41 2b8t n MET 82 Cb 0.26 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2b8t n MET 82 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2b8t s SER 83 N -2.28 5.34 0.51 7.83 1.04 -0.72 -5.01 113.70 120.41 2b8t s SER 83 Ca 0.35 -0.41 0.33 0.00 0.48 0.00 0.00 55.95 56.71 2b8t s SER 83 Cb 0.21 -0.46 1.41 0.00 0.10 0.00 0.00 66.02 67.28 2b8t s SER 83 CO 0.42 -1.07 1.97 0.78 0.98 0.00 0.00 173.24 176.33 2b8t h ASN 84 N 0.31 0.00 1.07 7.02 4.21 -1.92 -2.84 115.58 123.43 2b8t h ASN 84 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 2b8t h ASN 84 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 2b8t h ASN 84 CO 0.45 0.00 0.00 0.28 -1.29 0.00 0.00 177.43 176.87 2b8t h SER 85 N 0.00 0.00 -3.33 5.81 0.02 -1.95 -3.44 113.55 110.66 2b8t h SER 85 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2b8t h SER 85 Cb 0.43 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 2b8t h SER 85 CO 0.00 0.00 0.35 0.12 -1.14 0.00 0.00 176.83 176.16 2b8t s PHE 86 N -3.43 3.53 -0.15 3.45 5.36 -1.07 -5.03 117.98 120.63 2b8t s PHE 86 Ca 0.04 1.42 -0.29 0.00 -0.96 0.00 0.00 56.93 57.13 2b8t s PHE 86 Cb 0.09 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 2b8t s PHE 86 CO 0.51 -0.11 1.13 1.21 -1.46 0.00 0.00 175.22 176.50 2b8t s ASN 87 N 1.03 7.08 0.44 6.13 2.47 -1.26 -4.93 114.94 125.89 2b8t s ASN 87 Ca 0.43 1.59 0.30 0.00 0.42 0.00 0.00 52.86 55.60 2b8t s ASN 87 Cb -0.18 -2.55 1.49 0.00 -1.45 0.00 0.00 41.25 38.56 2b8t s ASN 87 CO 0.18 -0.63 1.91 0.44 -3.72 0.00 0.00 177.10 175.29 2b8t h ASP 88 N 7.58 0.00 0.81 -4.21 3.32 -1.97 -1.85 116.42 120.10 2b8t h ASP 88 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2b8t h ASP 88 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2b8t h ASP 88 CO 0.93 0.00 -0.08 -0.62 -1.72 0.00 0.00 179.24 177.75 2b8t n GLU 89 N -2.61 0.12 -1.86 3.56 1.02 -1.26 -4.88 120.64 114.72 2b8t n GLU 89 Ca -0.01 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2b8t n GLU 89 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2b8t n GLU 89 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2b8t s THR 90 N -2.89 3.12 -0.11 2.62 2.01 -0.70 -4.38 115.64 115.31 2b8t s THR 90 Ca 0.17 0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.66 2b8t s THR 90 Cb 0.19 -3.25 -0.16 0.00 0.01 0.00 0.00 72.50 69.29 2b8t s THR 90 CO 0.54 -0.02 0.08 0.29 -0.69 0.00 0.00 174.62 174.82 2b8t n LYS 91 N 6.49 1.74 -5.19 4.92 4.76 -0.58 -4.99 118.16 125.31 2b8t n LYS 91 Ca 0.17 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.28 2b8t n LYS 91 Cb 0.41 -1.32 -0.17 0.00 -1.84 0.00 0.00 35.03 32.11 2b8t n LYS 91 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2b8t s VAL 92 N -2.39 1.99 -0.20 -0.18 1.01 -1.14 -2.24 120.40 117.24 2b8t s VAL 92 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 2b8t s VAL 92 Cb 0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2b8t s VAL 92 CO 0.52 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 175.47 2b8t s ILE 93 N 0.20 3.22 -0.04 2.22 1.01 0.54 -1.25 121.20 127.10 2b8t s ILE 93 Ca -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2b8t s ILE 93 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2b8t s ILE 93 CO 0.07 0.45 0.13 -0.83 0.00 0.00 0.00 174.94 174.76 2b8t s GLY 94 N 1.26 2.10 -0.06 6.18 0.00 0.11 -0.66 107.32 116.27 2b8t s GLY 94 Ca 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 2b8t s GLY 94 CO -0.03 -0.62 0.03 -0.42 0.00 0.00 0.00 173.10 172.06 2b8t s ILE 95 N -1.20 0.16 0.21 0.90 1.01 0.24 0.10 121.20 122.62 2b8t s ILE 95 Ca 0.23 0.25 0.06 0.00 0.00 0.00 0.00 60.65 61.19 2b8t s ILE 95 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2b8t s ILE 95 CO 0.13 0.22 0.14 -0.62 0.00 0.00 0.00 174.94 174.81 2b8t s ASP 96 N 2.01 5.38 -1.48 3.58 2.15 -0.64 0.01 116.67 127.68 2b8t s ASP 96 Ca 0.04 -0.24 -0.09 0.00 0.43 0.00 0.00 52.55 52.69 2b8t s ASP 96 Cb -0.12 -1.34 0.06 0.00 -0.30 0.00 0.00 42.92 41.22 2b8t s ASP 96 CO -0.04 0.02 0.83 -0.62 -0.17 0.00 0.00 175.17 175.19 2b8t n GLU 97 N -0.71 -4.92 0.29 4.34 -0.58 -0.44 -4.16 120.64 114.45 2b8t n GLU 97 Ca -0.08 0.56 0.14 0.00 -0.42 0.00 0.00 57.16 57.36 2b8t n GLU 97 Cb 0.56 -5.27 0.88 0.00 -0.57 0.00 0.00 31.44 27.04 2b8t n GLU 97 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2b8t h VAL 98 N -1.95 0.59 0.00 2.62 3.04 -1.37 -2.28 116.25 116.89 2b8t h VAL 98 Ca -0.59 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2b8t h VAL 98 Cb 1.37 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2b8t h VAL 98 CO 0.65 0.00 0.08 0.00 -1.01 0.00 0.00 177.57 177.29 2b8t n GLN 99 N -3.94 0.12 0.05 4.17 0.00 -1.26 -1.49 117.38 115.03 2b8t n GLN 99 Ca -0.03 0.61 0.12 0.00 0.00 0.00 0.00 57.00 57.71 2b8t n GLN 99 Cb 0.10 -1.98 0.21 0.00 0.00 0.00 0.00 30.24 28.57 2b8t n GLN 99 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2b8t n PHE 100 N -2.17 0.44 -1.62 2.61 3.72 -0.86 -4.48 117.46 115.10 2b8t n PHE 100 Ca -0.01 0.13 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 2b8t n PHE 100 Cb 0.11 -0.58 0.11 0.00 -0.94 0.00 0.00 39.48 38.18 2b8t n PHE 100 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2b8t s PHE 101 N -3.13 2.69 0.00 1.38 0.08 -0.56 -5.00 117.98 113.45 2b8t s PHE 101 Ca 0.08 0.90 0.00 0.00 0.12 0.00 0.00 56.93 58.02 2b8t s PHE 101 Cb 0.14 -3.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2b8t s PHE 101 CO 0.71 -2.09 0.00 -0.40 -0.10 0.00 0.00 175.22 173.34 2b8t n ASP 102 N -3.58 0.00 -0.06 1.36 5.68 -1.26 -4.37 116.55 114.31 2b8t n ASP 102 Ca 0.07 -0.86 0.21 0.00 -0.50 0.00 0.00 54.79 53.71 2b8t n ASP 102 Cb 0.59 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.23 2b8t n ASP 102 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2b8t h ASP 103 N 0.00 0.07 0.08 -1.12 3.58 -1.95 -2.48 116.42 114.60 2b8t h ASP 103 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b8t h ASP 103 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2b8t h ASP 103 CO 0.00 0.03 0.00 0.03 -2.88 0.00 0.00 179.24 176.42 2b8t h ARG 104 N 0.07 0.00 -0.15 0.28 3.08 -1.99 -2.66 114.38 113.01 2b8t h ARG 104 Ca 0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2b8t h ARG 104 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2b8t h ARG 104 CO -0.02 0.00 -0.01 0.97 -1.07 0.00 0.00 179.97 179.83 2b8t h ILE 105 N 0.00 1.11 0.23 2.04 6.09 -1.82 -2.93 117.51 122.23 2b8t h ILE 105 Ca 0.00 -0.41 -0.01 0.00 -1.37 0.00 0.00 64.86 63.06 2b8t h ILE 105 Cb 0.04 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.35 2b8t h ILE 105 CO 0.00 0.14 -0.11 0.00 -3.07 0.00 0.00 178.15 175.10 2b8t h GLU 107 N -0.53 0.54 -0.09 0.00 4.81 -1.75 0.57 114.58 118.14 2b8t h GLU 107 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2b8t h GLU 107 Cb 0.39 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2b8t h GLU 107 CO 0.05 0.36 0.05 0.28 -0.73 0.00 0.00 179.01 179.02 2b8t h VAL 108 N 0.56 1.01 -0.27 0.32 2.07 -1.42 0.27 116.25 118.79 2b8t h VAL 108 Ca 0.28 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 2b8t h VAL 108 Cb 0.22 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2b8t h VAL 108 CO -0.21 0.02 0.16 0.00 0.02 0.00 0.00 177.57 177.56 2b8t h ALA 109 N 1.04 0.34 -0.53 1.67 0.00 -0.79 -1.78 119.26 119.20 2b8t h ALA 109 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2b8t h ALA 109 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2b8t h ALA 109 CO -0.01 -0.15 0.31 -0.91 0.00 0.00 0.00 179.25 178.48 2b8t h ASN 110 N 0.33 0.49 -0.73 0.00 -0.26 -0.74 -1.72 115.58 112.94 2b8t h ASN 110 Ca 0.10 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 2b8t h ASN 110 Cb 0.02 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.16 2b8t h ASN 110 CO -0.02 0.35 0.29 0.40 -1.06 0.00 0.00 177.43 177.39 2b8t h ILE 111 N 0.61 1.25 0.11 2.81 2.04 -0.71 0.37 117.51 124.00 2b8t h ILE 111 Ca 0.22 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2b8t h ILE 111 Cb 0.05 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2b8t h ILE 111 CO -0.11 0.32 -0.05 -0.07 0.00 0.00 0.00 178.15 178.24 2b8t h LEU 112 N 1.06 -0.13 -1.01 1.44 3.38 -1.16 -1.27 115.31 117.63 2b8t h LEU 112 Ca 0.24 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2b8t h LEU 112 Cb 0.22 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2b8t h LEU 112 CO -0.02 -0.03 0.65 0.00 0.09 0.00 0.00 178.44 179.13 2b8t h ALA 113 N 0.67 1.41 0.00 1.53 0.00 -1.05 -0.91 119.26 120.91 2b8t h ALA 113 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2b8t h ALA 113 Cb 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2b8t h ALA 113 CO 0.03 0.43 -0.11 0.93 0.00 0.00 0.00 179.25 180.53 2b8t h GLU 114 N 1.17 0.00 -0.49 0.00 5.08 -0.72 -2.96 114.58 116.66 2b8t h GLU 114 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2b8t h GLU 114 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2b8t h GLU 114 CO -0.18 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.03 2b8t n ASN 115 N -3.34 4.64 0.00 1.42 4.13 -0.44 -4.90 115.26 116.77 2b8t n ASN 115 Ca -0.01 -2.70 0.00 0.00 1.68 0.00 0.00 54.58 53.56 2b8t n ASN 115 Cb 0.30 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 2b8t n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b8t n GLY 116 N 0.48 0.76 3.85 7.41 0.00 -0.95 -4.97 105.19 111.78 2b8t n GLY 116 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2b8t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b8t s PHE 117 N -2.09 3.62 -0.22 1.61 0.08 -0.66 -4.14 117.98 116.18 2b8t s PHE 117 Ca 0.00 1.00 -0.21 0.00 0.12 0.00 0.00 56.93 57.85 2b8t s PHE 117 Cb 0.00 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2b8t s PHE 117 CO 0.00 0.47 0.63 0.08 -0.10 0.00 0.00 175.22 176.30 2b8t s VAL 118 N -1.41 5.00 -0.29 -0.44 1.01 -0.95 -2.09 120.40 121.24 2b8t s VAL 118 Ca 0.35 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 2b8t s VAL 118 Cb -0.15 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2b8t s VAL 118 CO 0.19 0.08 0.03 -0.69 0.00 0.00 0.00 175.10 174.70 2b8t s VAL 119 N 2.15 3.43 -0.26 2.92 1.01 0.70 -0.34 120.40 130.01 2b8t s VAL 119 Ca 0.28 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2b8t s VAL 119 Cb -0.16 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2b8t s VAL 119 CO 0.10 0.05 0.09 -0.63 0.00 0.00 0.00 175.10 174.71 2b8t s ILE 120 N 1.39 4.42 -0.10 2.22 1.01 0.17 -0.19 121.20 130.13 2b8t s ILE 120 Ca -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2b8t s ILE 120 Cb -0.18 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2b8t s ILE 120 CO -0.00 0.28 -0.22 -0.63 0.00 0.00 0.00 174.94 174.36 2b8t s ILE 121 N 1.62 1.94 -0.01 2.92 1.01 0.79 -0.59 121.20 128.88 2b8t s ILE 121 Ca 0.06 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2b8t s ILE 121 Cb -0.16 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2b8t s ILE 121 CO 0.05 0.53 -0.23 -0.55 0.00 0.00 0.00 174.94 174.74 2b8t s SER 122 N 0.40 2.72 0.00 3.58 0.15 0.10 0.38 113.70 121.03 2b8t s SER 122 Ca -0.18 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2b8t s SER 122 Cb -0.18 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 2b8t s SER 122 CO 0.08 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2b8t n GLY 123 N 2.44 0.30 3.77 9.45 0.00 -0.85 -1.11 105.19 119.19 2b8t n GLY 123 Ca -0.16 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2b8t n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b8t s LEU 124 N 0.00 4.45 -0.04 0.99 1.43 -1.26 -4.01 118.68 120.24 2b8t s LEU 124 Ca 0.00 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 2b8t s LEU 124 Cb 0.00 -3.64 -0.25 0.00 0.03 0.00 0.00 46.19 42.33 2b8t s LEU 124 CO 0.00 -0.46 0.69 -2.24 0.23 0.00 0.00 176.35 174.57 2b8t h ASP 125 N 3.57 0.21 -4.35 2.29 2.03 -1.92 -3.43 116.42 114.82 2b8t h ASP 125 Ca -0.48 -0.38 -0.63 0.00 -0.73 0.00 0.00 57.03 54.81 2b8t h ASP 125 Cb 1.22 -0.07 -0.27 0.00 -0.83 0.00 0.00 39.33 39.38 2b8t h ASP 125 CO 0.66 1.33 -0.86 -0.54 -1.03 0.00 0.00 179.24 178.81 2b8t s LYS 126 N -2.60 1.63 0.50 4.15 1.02 -1.26 -0.75 119.74 122.43 2b8t s LYS 126 Ca -0.10 -0.93 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 2b8t s LYS 126 Cb 0.07 -1.70 0.11 0.00 -0.52 0.00 0.00 37.83 35.80 2b8t s LYS 126 CO 0.82 0.45 0.68 0.27 -0.92 0.00 0.00 175.35 176.65 2b8t n ASN 127 N 2.06 0.06 0.30 2.83 0.23 -0.19 -4.71 115.26 115.85 2b8t n ASN 127 Ca -0.16 -1.25 0.16 0.00 -0.53 0.00 0.00 54.58 52.79 2b8t n ASN 127 Cb 0.53 -0.52 0.95 0.00 -2.08 0.00 0.00 39.78 38.66 2b8t n ASN 127 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 2b8t h PHE 128 N -1.38 0.00 0.00 -2.53 -5.15 -1.87 -1.84 116.94 104.17 2b8t h PHE 128 Ca -0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.55 2b8t h PHE 128 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.78 2b8t h PHE 128 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 178.31 177.94 2b8t n LYS 129 N -3.77 0.18 -0.66 6.09 5.02 -1.26 -4.69 118.16 119.07 2b8t n LYS 129 Ca -0.03 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2b8t n LYS 129 Cb 0.09 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2b8t n LYS 129 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b8t n GLY 130 N 0.92 0.69 3.95 0.72 0.00 -0.69 -4.95 105.19 105.83 2b8t n GLY 130 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2b8t n GLY 130 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b8t s GLU 131 N -0.34 3.47 0.18 1.61 2.02 -1.26 -4.83 118.70 119.54 2b8t s GLU 131 Ca 0.00 -0.54 -0.33 0.00 0.02 0.00 0.00 54.97 54.11 2b8t s GLU 131 Cb 0.00 -2.83 -0.14 0.00 0.10 0.00 0.00 34.13 31.25 2b8t s GLU 131 CO 0.00 0.37 1.46 -2.30 0.02 0.00 0.00 175.26 174.81 2b8t n PRO 132 N -1.22 1.92 -2.75 0.39 -0.02 -1.26 -1.02 135.00 131.04 2b8t n PRO 132 Ca -0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2b8t n PRO 132 Cb 0.56 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 2b8t n PRO 132 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2b8t s PHE 133 N 0.46 2.67 0.00 6.00 5.99 0.07 -4.63 117.98 128.54 2b8t s PHE 133 Ca 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 56.93 57.68 2b8t s PHE 133 Cb -0.72 -4.27 0.00 0.00 0.00 0.00 0.00 43.02 38.03 2b8t s PHE 133 CO 0.44 -1.54 0.00 0.41 -0.00 0.00 0.00 175.22 174.53 2b8t n GLY 134 N 5.17 3.90 0.40 13.12 0.00 -1.26 -2.95 105.19 123.56 2b8t n GLY 134 Ca 0.03 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2b8t n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b8t n PRO 135 N 13.74 1.39 0.25 1.61 -0.04 -1.26 -4.61 135.00 146.08 2b8t n PRO 135 Ca 0.00 -0.79 0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2b8t n PRO 135 Cb 0.00 -1.48 0.64 0.00 -0.04 0.00 0.00 33.50 32.61 2b8t n PRO 135 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2b8t h ILE 136 N 1.94 0.58 -0.68 0.52 -0.00 -1.88 -3.07 117.51 114.92 2b8t h ILE 136 Ca 0.00 -0.73 0.09 0.00 -0.00 0.00 0.00 64.86 64.22 2b8t h ILE 136 Cb 0.49 1.48 -0.07 0.00 -0.00 0.00 0.00 36.82 38.72 2b8t h ILE 136 CO 0.00 0.16 0.32 0.00 -0.00 0.00 0.00 178.15 178.63 2b8t h ALA 137 N 1.84 0.92 -0.12 0.16 0.00 -1.85 -1.57 119.26 118.65 2b8t h ALA 137 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2b8t h ALA 137 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2b8t h ALA 137 CO 0.02 -0.09 -0.23 0.87 0.00 0.00 0.00 179.25 179.83 2b8t h LYS 138 N 0.55 0.20 -0.33 0.00 1.57 -1.92 -3.09 116.57 113.55 2b8t h LYS 138 Ca 0.34 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2b8t h LYS 138 Cb 0.37 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2b8t h LYS 138 CO -0.28 0.42 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.89 2b8t h LEU 139 N 0.18 0.51 -0.89 2.94 3.38 -1.41 -1.43 115.31 118.60 2b8t h LEU 139 Ca 0.03 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.01 2b8t h LEU 139 Cb 0.51 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2b8t h LEU 139 CO 0.03 0.63 0.51 -0.26 0.09 0.00 0.00 178.44 179.44 2b8t h PHE 140 N 0.50 0.91 -0.20 1.13 0.04 -1.43 0.41 116.94 118.30 2b8t h PHE 140 Ca 0.10 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 2b8t h PHE 140 Cb 0.43 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 2b8t h PHE 140 CO 0.02 0.30 -0.30 1.79 -0.60 0.00 0.00 178.31 179.51 2b8t h THR 141 N 0.77 1.33 0.00 -1.55 1.35 -1.38 -3.28 112.91 110.14 2b8t h THR 141 Ca 0.46 -1.51 -0.02 0.00 -0.55 0.00 0.00 66.41 64.79 2b8t h THR 141 Cb 0.55 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2b8t h THR 141 CO -0.31 0.47 -0.07 1.88 -0.25 0.00 0.00 175.52 177.23 2b8t h TYR 142 N 0.23 0.00 -2.92 4.73 0.05 -1.13 -3.45 116.97 114.49 2b8t h TYR 142 Ca 0.02 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.24 2b8t h TYR 142 Cb 0.88 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.59 2b8t h TYR 142 CO 0.09 0.07 0.89 0.00 -1.05 0.00 0.00 178.16 178.16 2b8t s ALA 143 N -3.28 3.64 0.27 3.88 0.00 0.11 -4.75 121.76 121.63 2b8t s ALA 143 Ca 0.05 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2b8t s ALA 143 Cb 0.06 -3.61 0.43 0.00 0.00 0.00 0.00 23.12 20.00 2b8t s ALA 143 CO 0.66 -1.13 1.89 -0.44 0.00 0.00 0.00 175.76 176.74 2b8t h ASP 144 N 8.17 1.02 -3.37 0.00 3.32 -1.42 -3.42 116.42 120.71 2b8t h ASP 144 Ca -0.28 0.01 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 2b8t h ASP 144 Cb 1.12 -0.21 -0.34 0.00 0.22 0.00 0.00 39.33 40.12 2b8t h ASP 144 CO 0.96 0.65 -0.82 -0.75 -1.72 0.00 0.00 179.24 177.55 2b8t s LYS 145 N -6.01 1.92 -0.14 3.56 2.20 -0.85 -5.04 119.74 115.38 2b8t s LYS 145 Ca -0.12 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2b8t s LYS 145 Cb 0.20 -1.59 -0.01 0.00 -1.51 0.00 0.00 37.83 34.92 2b8t s LYS 145 CO 0.81 0.02 -0.15 0.42 -0.36 0.00 0.00 175.35 176.09 2b8t s ILE 146 N 0.73 2.83 -0.33 5.43 1.01 -1.26 -0.28 121.20 129.33 2b8t s ILE 146 Ca -0.13 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2b8t s ILE 146 Cb -0.16 -2.19 0.10 0.00 0.01 0.00 0.00 42.46 40.22 2b8t s ILE 146 CO 0.03 0.52 0.05 -0.89 0.00 0.00 0.00 174.94 174.65 2b8t s THR 147 N 0.55 1.98 -0.52 2.92 2.01 0.55 -4.98 115.64 118.16 2b8t s THR 147 Ca -0.09 -2.09 -0.21 0.00 0.31 0.00 0.00 61.69 59.60 2b8t s THR 147 Cb -0.16 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 69.96 2b8t s THR 147 CO 0.04 -0.57 0.75 -0.75 -0.69 0.00 0.00 174.62 173.40 2b8t s LYS 148 N 1.06 3.22 0.43 4.92 2.20 -1.26 -0.14 119.74 130.17 2b8t s LYS 148 Ca 0.09 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 55.02 2b8t s LYS 148 Cb -0.19 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 2b8t s LYS 148 CO -0.11 -1.31 0.77 -0.51 -0.36 0.00 0.00 175.35 173.83 2b8t s LEU 149 N 3.16 3.77 0.12 5.43 1.43 0.12 -4.92 118.68 127.79 2b8t s LEU 149 Ca 0.22 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2b8t s LEU 149 Cb -0.16 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 2b8t s LEU 149 CO 0.15 -0.45 -0.19 0.42 0.23 0.00 0.00 176.35 176.51 2b8t s THR 150 N -2.49 2.75 0.00 5.49 -4.23 -1.26 -4.12 115.64 111.78 2b8t s THR 150 Ca 0.50 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2b8t s THR 150 Cb -0.10 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2b8t s THR 150 CO 0.36 0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 2b8t n ALA 151 N 0.85 0.00 -3.11 3.99 0.00 -0.57 -4.58 120.51 117.09 2b8t n ALA 151 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2b8t n ALA 151 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 2b8t n ALA 151 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2b8t s ILE 152 N 0.75 3.40 0.06 0.00 -1.09 -1.26 0.27 121.20 123.33 2b8t s ILE 152 Ca 0.00 -0.52 -0.32 0.00 -2.23 0.00 0.00 60.65 57.57 2b8t s ILE 152 Cb 0.00 -2.47 -0.11 0.00 -1.58 0.00 0.00 42.46 38.29 2b8t s ILE 152 CO 0.00 0.50 1.84 0.00 -1.23 0.00 0.00 174.94 176.04 2b8t h ASN 154 N 8.68 0.00 0.06 0.00 -1.24 -1.39 -0.76 115.58 120.95 2b8t h ASN 154 Ca -0.47 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.25 2b8t h ASN 154 Cb 1.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.27 2b8t h ASN 154 CO 0.94 0.13 -1.53 -0.33 -1.29 0.00 0.00 177.43 175.35 2b8t h GLU 155 N 0.00 0.14 0.00 6.67 4.39 -1.89 -3.44 114.58 120.44 2b8t h GLU 155 Ca -0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2b8t h GLU 155 Cb 0.36 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2b8t h GLU 155 CO 0.02 1.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.98 2b8t n GLY 157 N 0.29 1.99 3.61 0.00 0.00 -0.29 -4.97 105.19 105.82 2b8t n GLY 157 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2b8t n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b8t s ALA 158 N -3.42 0.57 0.09 4.61 0.00 -1.26 -4.41 121.76 117.93 2b8t s ALA 158 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.53 2b8t s ALA 158 Cb 0.00 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 2b8t s ALA 158 CO 0.00 -3.13 1.75 0.39 0.00 0.00 0.00 175.76 174.78 2b8t n GLU 159 N -4.42 2.43 -3.79 0.00 1.02 -1.26 0.04 120.64 114.66 2b8t n GLU 159 Ca 0.05 0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 57.72 2b8t n GLU 159 Cb 0.55 -2.72 -0.07 0.00 -0.02 0.00 0.00 31.44 29.18 2b8t n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b8t s ALA 160 N 2.33 3.78 0.00 0.62 0.00 0.14 -4.29 121.76 124.34 2b8t s ALA 160 Ca 0.83 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2b8t s ALA 160 Cb -0.60 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2b8t s ALA 160 CO 0.40 0.38 0.07 0.25 0.00 0.00 0.00 175.76 176.87 2b8t n THR 161 N 2.76 0.00 -4.26 0.00 -2.24 -0.43 -1.52 114.28 108.60 2b8t n THR 161 Ca -0.18 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 2b8t n THR 161 Cb 0.53 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 2b8t n THR 161 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2b8t s HIS 162 N -0.70 1.52 -0.21 4.78 3.76 -0.27 -4.38 115.29 119.78 2b8t s HIS 162 Ca 0.00 -0.50 -0.08 0.00 -0.15 0.00 0.00 55.06 54.33 2b8t s HIS 162 Cb 0.00 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 2b8t s HIS 162 CO 0.00 0.18 0.10 -1.12 -0.85 0.00 0.00 174.74 173.04 2b8t s SER 163 N -2.27 5.69 -0.19 1.40 0.01 -1.26 -1.37 113.70 115.72 2b8t s SER 163 Ca 0.08 0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.31 2b8t s SER 163 Cb -0.07 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 2b8t s SER 163 CO 0.04 0.10 0.04 -0.22 0.41 0.00 0.00 173.24 173.60 2b8t s LEU 164 N 0.85 3.64 -0.18 2.44 2.96 0.10 -4.44 118.68 124.06 2b8t s LEU 164 Ca 0.05 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2b8t s LEU 164 Cb -0.13 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 2b8t s LEU 164 CO 0.03 0.14 0.11 -0.60 -1.32 0.00 0.00 176.35 174.71 2b8t s ARG 165 N 0.54 3.95 -0.06 1.98 3.52 -1.26 -0.55 118.95 127.06 2b8t s ARG 165 Ca 0.02 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.43 2b8t s ARG 165 Cb -0.13 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2b8t s ARG 165 CO 0.01 0.41 -0.22 0.15 -0.81 0.00 0.00 175.30 174.84 2b8t s LYS 166 N 0.02 2.42 -0.24 5.12 1.02 0.15 -1.33 119.74 126.91 2b8t s LYS 166 Ca 0.09 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2b8t s LYS 166 Cb -0.11 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2b8t s LYS 166 CO -0.00 0.28 -0.09 0.42 -0.92 0.00 0.00 175.35 175.04 2b8t s ILE 167 N 0.06 2.69 -1.45 2.17 -1.09 0.84 -4.61 121.20 119.81 2b8t s ILE 167 Ca -0.08 -1.06 -0.07 0.00 -2.23 0.00 0.00 60.65 57.21 2b8t s ILE 167 Cb -0.14 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 2b8t s ILE 167 CO 0.05 0.23 0.63 0.47 -1.23 0.00 0.00 174.94 175.09 2b8t n ASP 168 N 4.64 -5.23 0.00 3.58 8.00 -1.26 -1.53 116.55 124.75 2b8t n ASP 168 Ca -0.17 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.96 2b8t n ASP 168 Cb 0.47 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2b8t n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b8t n GLY 169 N -1.45 1.50 3.55 0.44 0.00 -1.26 -5.02 105.19 102.95 2b8t n GLY 169 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2b8t n GLY 169 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b8t s LYS 170 N -0.13 2.98 0.29 1.61 2.20 -0.58 -5.05 119.74 121.06 2b8t s LYS 170 Ca 0.00 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2b8t s LYS 170 Cb 0.00 -2.66 -0.13 0.00 -1.51 0.00 0.00 37.83 33.53 2b8t s LYS 170 CO 0.00 0.55 1.25 0.72 -0.36 0.00 0.00 175.35 177.51 2b8t n HIS 171 N 2.57 1.92 -2.07 4.03 8.25 -1.26 -0.11 115.22 128.55 2b8t n HIS 171 Ca -0.18 0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 57.44 2b8t n HIS 171 Cb 0.53 -2.38 -0.02 0.00 1.12 0.00 0.00 29.99 29.24 2b8t n HIS 171 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b8t s ALA 172 N -0.71 3.55 0.50 -1.41 0.00 -0.44 -4.76 121.76 118.49 2b8t s ALA 172 Ca 0.61 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.67 2b8t s ALA 172 Cb -0.65 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 18.88 2b8t s ALA 172 CO 0.57 -0.70 1.07 0.34 0.00 0.00 0.00 175.76 177.05 2b8t s ASP 173 N -0.10 6.14 0.42 0.00 -1.08 -1.26 -4.20 116.67 116.59 2b8t s ASP 173 Ca 0.53 2.03 0.18 0.00 -0.52 0.00 0.00 52.55 54.77 2b8t s ASP 173 Cb -0.41 -2.57 1.09 0.00 -1.46 0.00 0.00 42.92 39.58 2b8t s ASP 173 CO 0.49 -0.93 1.86 0.22 0.52 0.00 0.00 175.17 177.33 2b8t h TYR 174 N 1.47 0.52 -0.30 -5.34 3.20 -1.66 -2.29 116.97 112.58 2b8t h TYR 174 Ca -0.50 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2b8t h TYR 174 Cb 1.24 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2b8t h TYR 174 CO 0.55 0.14 0.00 0.09 -1.64 0.00 0.00 178.16 177.30 2b8t n ASN 175 N -4.50 2.02 -4.75 -2.11 5.03 -1.26 -4.94 115.26 104.75 2b8t n ASN 175 Ca 0.19 -1.88 -0.31 0.00 0.87 0.00 0.00 54.58 53.45 2b8t n ASN 175 Cb 0.70 -0.20 0.11 0.00 -1.02 0.00 0.00 39.78 39.37 2b8t n ASN 175 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2b8t s ASP 176 N -1.26 4.13 0.28 6.41 -0.00 -0.86 -4.97 116.67 120.39 2b8t s ASP 176 Ca 0.30 1.90 -0.30 0.00 -0.00 0.00 0.00 52.55 54.45 2b8t s ASP 176 Cb 0.16 -2.53 -0.12 0.00 -0.00 0.00 0.00 42.92 40.43 2b8t s ASP 176 CO 0.22 -2.29 1.64 -1.81 -0.00 0.00 0.00 175.17 172.93 2b8t s ASP 177 N -3.23 6.35 0.02 0.27 -0.00 -1.26 -4.95 116.67 113.87 2b8t s ASP 177 Ca 0.62 2.96 -0.23 0.00 -0.00 0.00 0.00 52.55 55.91 2b8t s ASP 177 Cb -0.18 -2.63 -0.16 0.00 -0.00 0.00 0.00 42.92 39.95 2b8t s ASP 177 CO 0.56 -0.95 1.37 0.40 -0.00 0.00 0.00 175.17 176.56 2b8t h ILE 178 N 3.47 1.32 -3.32 0.77 2.04 -1.97 -3.42 117.51 116.40 2b8t h ILE 178 Ca -0.46 -1.06 -0.59 0.00 1.00 0.00 0.00 64.86 63.75 2b8t h ILE 178 Cb 1.22 1.85 -0.08 0.00 -0.74 0.00 0.00 36.82 39.06 2b8t h ILE 178 CO 0.83 0.30 0.57 -0.69 0.00 0.00 0.00 178.15 179.16 2b8t s VAL 179 N -4.55 4.72 -0.23 1.67 1.01 -1.26 -4.81 120.40 116.96 2b8t s VAL 179 Ca -0.15 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 2b8t s VAL 179 Cb 0.04 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.32 2b8t s VAL 179 CO 0.71 -0.25 0.38 -0.75 0.00 0.00 0.00 175.10 175.19 2b8t s LYS 180 N 3.12 0.33 0.05 2.72 2.20 -1.26 -5.15 119.74 121.75 2b8t s LYS 180 Ca 0.37 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 2b8t s LYS 180 Cb -0.14 -0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 35.80 2b8t s LYS 180 CO 0.11 -0.56 1.04 0.42 -0.36 0.00 0.00 175.35 176.00 2b8t s ILE 181 N 2.55 4.51 0.00 5.43 -1.09 -1.26 -4.99 121.20 126.34 2b8t s ILE 181 Ca 0.10 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 2b8t s ILE 181 Cb -0.15 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2b8t s ILE 181 CO -0.15 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 2b8t n GLY 182 N 2.79 1.85 0.00 6.18 0.00 -1.26 -5.07 105.19 109.69 2b8t n GLY 182 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2b8t n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b8t n GLN 184 N 0.00 0.00 -0.08 0.00 6.02 -1.26 -1.64 117.38 120.42 2b8t n GLN 184 Ca 0.00 0.42 -0.02 0.00 -0.01 0.00 0.00 57.00 57.39 2b8t n GLN 184 Cb 0.00 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 29.99 2b8t n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2b8t h GLU 185 N 0.00 0.71 0.00 -1.09 3.07 -1.98 -3.36 114.58 111.93 2b8t h GLU 185 Ca 0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2b8t h GLU 185 Cb 0.07 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2b8t h GLU 185 CO 0.00 0.68 -0.99 1.19 -1.40 0.00 0.00 179.01 178.49 2b8t n PHE 186 N -4.27 0.00 -4.58 4.33 3.72 -1.00 -4.93 117.46 110.73 2b8t n PHE 186 Ca 0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 2b8t n PHE 186 Cb 0.24 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.66 2b8t n PHE 186 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2b8t s TYR 187 N -1.99 2.74 0.15 1.38 2.02 -0.65 0.30 117.35 121.30 2b8t s TYR 187 Ca 0.00 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2b8t s TYR 187 Cb 0.00 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 2b8t s TYR 187 CO 0.00 0.31 0.01 -1.54 -1.57 0.00 0.00 175.55 172.76 2b8t s SER 188 N -1.35 0.92 -0.14 2.29 1.04 0.29 -4.24 113.70 112.51 2b8t s SER 188 Ca 0.16 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.37 2b8t s SER 188 Cb -0.11 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2b8t s SER 188 CO 0.06 -0.61 0.07 0.00 0.98 0.00 0.00 173.24 173.74 2b8t s ALA 189 N -3.78 3.52 0.04 5.32 0.00 -1.26 0.01 121.76 125.61 2b8t s ALA 189 Ca 0.22 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 2b8t s ALA 189 Cb 0.07 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2b8t s ALA 189 CO 0.02 0.43 -0.03 0.14 0.00 0.00 0.00 175.76 176.31 2b8t s VAL 190 N -0.40 0.18 0.96 0.00 -7.23 -0.47 -0.96 120.40 112.49 2b8t s VAL 190 Ca 0.10 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 2b8t s VAL 190 Cb -0.12 -0.95 0.17 0.00 0.56 0.00 0.00 36.38 36.04 2b8t s VAL 190 CO 0.02 -0.77 1.10 0.00 -0.31 0.00 0.00 175.10 175.14 2b8t h ARG 192 N -1.76 0.46 -0.54 0.00 2.43 -1.94 -2.12 114.38 110.91 2b8t h ARG 192 Ca -0.53 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 2b8t h ARG 192 Cb 1.32 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2b8t h ARG 192 CO 0.57 0.30 0.25 1.25 -1.51 0.00 0.00 179.97 180.83 2b8t h HIS 193 N 0.47 0.75 -0.53 2.20 2.76 -1.99 -2.40 115.15 116.42 2b8t h HIS 193 Ca 0.33 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2b8t h HIS 193 Cb 0.40 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2b8t h HIS 193 CO -0.15 0.56 0.00 0.72 -1.30 0.00 0.00 177.93 177.76 2b8t n HIS 194 N -4.36 0.83 -3.43 5.26 8.25 -0.90 -4.72 115.22 116.14 2b8t n HIS 194 Ca 0.04 -0.38 -0.44 0.00 -0.26 0.00 0.00 57.72 56.69 2b8t n HIS 194 Cb 0.13 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 2b8t n HIS 194 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2b8t s HIS 195 N -1.41 3.24 -0.07 4.41 5.04 -0.85 -4.84 115.29 120.82 2b8t s HIS 195 Ca 0.37 -0.78 0.03 0.00 -1.54 0.00 0.00 55.06 53.14 2b8t s HIS 195 Cb 0.20 -2.88 0.00 0.00 0.04 0.00 0.00 32.58 29.95 2b8t s HIS 195 CO 0.23 -0.70 -0.18 0.15 -2.34 0.00 0.00 174.74 171.90 2b8t s LYS 196 N 1.65 2.21 -0.21 2.88 -0.14 -1.26 -4.98 119.74 119.89 2b8t s LYS 196 Ca 0.04 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2b8t s LYS 196 Cb -0.22 -1.77 0.05 0.00 -1.68 0.00 0.00 37.83 34.22 2b8t s LYS 196 CO 0.08 0.14 -0.05 0.08 -0.76 0.00 0.00 175.35 174.84 2b8t s VAL 197 N 0.39 1.35 0.44 3.17 1.01 -1.26 -4.80 120.40 120.68 2b8t s VAL 197 Ca -0.13 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 2b8t s VAL 197 Cb -0.16 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 2b8t s VAL 197 CO 0.05 -0.02 1.21 -2.65 0.00 0.00 0.00 175.10 173.69 2b8t n PRO 198 N 4.76 1.75 -2.45 2.72 -0.02 -1.26 -2.85 135.00 137.65 2b8t n PRO 198 Ca -0.12 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 2b8t n PRO 198 Cb 0.45 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2b8t n PRO 198 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b8t n ASN 199 N 0.15 -5.73 -4.66 2.55 3.02 -1.26 -1.86 115.26 107.47 2b8t n ASN 199 Ca 0.08 -0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 2b8t n ASN 199 Cb 0.40 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 34.82 2b8t n ASN 199 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2b8t s ARG 200 N -5.07 4.18 0.31 3.52 3.52 -1.13 -4.72 118.95 119.56 2b8t s ARG 200 Ca 0.03 2.10 -0.23 0.00 -0.13 0.00 0.00 55.73 57.51 2b8t s ARG 200 Cb -0.01 -3.96 -0.09 0.00 -1.56 0.00 0.00 34.95 29.33 2b8t s ARG 200 CO 0.04 -0.83 0.86 -1.25 -0.81 0.00 0.00 175.30 173.31 2b8t s PRO 201 N 3.97 4.40 -0.22 5.12 0.04 -1.26 -5.05 135.00 141.99 2b8t s PRO 201 Ca 0.71 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 2b8t s PRO 201 Cb -0.31 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2b8t s PRO 201 CO 0.27 0.26 0.29 0.71 0.04 0.00 0.00 177.00 178.58 2b8t s TYR 202 N -1.69 3.34 -0.02 0.56 2.02 -1.26 -4.99 117.35 115.31 2b8t s TYR 202 Ca 0.50 0.44 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 2b8t s TYR 202 Cb -0.16 -2.41 -0.24 0.00 -0.40 0.00 0.00 41.96 38.75 2b8t s TYR 202 CO 0.21 0.02 0.74 -0.07 -1.57 0.00 0.00 175.55 174.88 2b8t h LEU 203 N 7.61 0.13 -9.63 -1.29 4.07 -2.03 -3.46 115.31 110.71 2b8t h LEU 203 Ca -0.37 -0.23 -0.55 0.00 0.08 0.00 0.00 57.88 56.81 2b8t h LEU 203 Cb 1.17 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.82 2b8t h LEU 203 CO 0.69 1.20 0.08 0.20 -1.08 0.00 0.00 178.44 179.53 2b8t s ASN 204 N -6.47 7.18 0.00 -0.43 0.01 -1.26 -4.97 114.94 109.00 2b8t s ASN 204 Ca -0.07 1.40 0.17 0.00 -0.71 0.00 0.00 52.86 53.65 2b8t s ASN 204 Cb 0.08 -2.43 0.74 0.00 0.41 0.00 0.00 41.25 40.05 2b8t s ASN 204 CO 0.82 0.16 1.52 -1.54 -1.51 0.00 0.00 177.10 176.56 2b8t n SER 205 N 2.14 0.00 -0.29 -1.22 3.41 -1.26 -2.79 113.62 113.61 2b8t n SER 205 Ca -0.06 0.40 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 2b8t n SER 205 Cb 0.50 -0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2b8t n SER 205 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2b8t n ASN 206 N -1.45 1.90 -0.07 4.04 6.94 -1.26 -4.70 115.26 120.65 2b8t n ASN 206 Ca 0.05 -1.54 -0.15 0.00 -0.02 0.00 0.00 54.58 52.91 2b8t n ASN 206 Cb 0.18 -0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.50 2b8t n ASN 206 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2b8t h SER 207 N 1.18 0.94 -0.02 0.53 0.02 -1.94 -2.43 113.55 111.83 2b8t h SER 207 Ca 0.00 -0.54 -0.13 0.00 -0.84 0.00 0.00 61.79 60.28 2b8t h SER 207 Cb 0.40 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2b8t h SER 207 CO 0.00 1.30 -0.38 -0.33 -1.14 0.00 0.00 176.83 176.28 2b8t h GLU 208 N 0.61 0.53 0.00 3.45 5.08 -1.84 -2.64 114.58 119.77 2b8t h GLU 208 Ca 0.01 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2b8t h GLU 208 Cb 1.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2b8t h GLU 208 CO 0.12 0.83 -0.38 1.05 -1.00 0.00 0.00 179.01 179.63 2b8t h GLU 209 N 0.44 0.00 0.09 2.33 4.11 -1.85 -2.81 114.58 116.89 2b8t h GLU 209 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2b8t h GLU 209 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2b8t h GLU 209 CO 0.07 0.38 -0.04 0.35 0.07 0.00 0.00 179.01 179.84 2b8t h PHE 210 N 0.00 -0.11 -0.44 2.06 3.57 -1.21 -1.81 116.94 119.01 2b8t h PHE 210 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2b8t h PHE 210 Cb 1.01 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 2b8t h PHE 210 CO 0.00 0.35 0.16 0.82 -2.23 0.00 0.00 178.31 177.40 2b8t h ILE 211 N -0.62 0.86 -0.59 1.41 2.04 -1.53 0.15 117.51 119.24 2b8t h ILE 211 Ca -0.01 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 2b8t h ILE 211 Cb 0.51 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2b8t h ILE 211 CO 0.02 0.06 0.13 0.50 0.00 0.00 0.00 178.15 178.86 2b8t h LYS 212 N 0.33 0.92 -0.14 2.37 3.64 -1.56 -0.58 116.57 121.54 2b8t h LYS 212 Ca 0.20 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2b8t h LYS 212 Cb 0.20 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2b8t h LYS 212 CO -0.21 0.83 -0.08 0.35 -2.27 0.00 0.00 179.45 178.07 2b8t h PHE 213 N 0.88 0.35 -0.44 1.91 3.57 -0.86 -2.97 116.94 119.37 2b8t h PHE 213 Ca 0.19 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2b8t h PHE 213 Cb 0.33 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2b8t h PHE 213 CO 0.02 0.64 -0.22 0.35 -2.23 0.00 0.00 178.31 176.87 2b8t h PHE 214 N -0.05 1.03 -0.79 0.41 3.57 -0.52 -1.16 116.94 119.43 2b8t h PHE 214 Ca 0.03 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2b8t h PHE 214 Cb 0.55 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2b8t h PHE 214 CO 0.07 1.03 0.50 -0.22 -2.23 0.00 0.00 178.31 177.46 2b8t h LYS 215 N 0.78 1.05 0.00 1.11 3.64 -1.21 -2.49 116.57 119.46 2b8t h LYS 215 Ca 0.10 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2b8t h LYS 215 Cb 0.77 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2b8t h LYS 215 CO 0.06 0.72 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.67 2b8t h ASN 216 N 1.07 0.00 0.29 4.20 2.35 -1.31 -2.94 115.58 119.25 2b8t h ASN 216 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2b8t h ASN 216 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2b8t h ASN 216 CO -0.06 0.38 0.00 0.29 -1.65 0.00 0.00 177.43 176.40 2b8t n LYS 217 N -3.77 0.09 0.00 0.81 4.01 -0.47 -1.16 118.16 117.67 2b8t n LYS 217 Ca -0.01 0.47 0.10 0.00 -0.51 0.00 0.00 58.31 58.36 2b8t n LYS 217 Cb 0.46 -1.73 0.59 0.00 -0.51 0.00 0.00 35.03 33.84 2b8t n LYS 217 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2b8t n LYS 218 N -1.91 0.91 0.00 1.97 2.85 -1.11 -5.10 118.16 115.77 2b8t n LYS 218 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2b8t n LYS 218 Cb 0.10 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2b8t n LYS 218 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89