#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9t s ILE 6 N 0.00 3.00 0.63 3.15 -4.36 -1.26 -4.94 121.20 117.42 1i9t s ILE 6 Ca 0.00 0.51 -0.18 0.00 -0.26 0.00 0.00 60.65 60.72 1i9t s ILE 6 Cb 0.00 -3.07 -0.01 0.00 1.25 0.00 0.00 42.46 40.63 1i9t s ILE 6 CO 0.00 -0.24 1.21 -2.84 0.24 0.00 0.00 174.94 173.31 1i9t s PRO 7 N -3.84 2.73 0.41 0.37 0.02 -1.26 -4.96 135.00 128.47 1i9t s PRO 7 Ca 0.70 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 63.30 1i9t s PRO 7 Cb -0.24 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1i9t s PRO 7 CO 0.39 -1.40 1.10 -1.25 -0.33 0.00 0.00 177.00 175.50 1i9t s PRO 8 N -3.51 4.08 -1.17 5.54 0.04 -1.26 -3.07 135.00 135.66 1i9t s PRO 8 Ca 0.77 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1i9t s PRO 8 Cb -0.31 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1i9t s PRO 8 CO 0.37 -0.24 0.00 0.54 0.04 0.00 0.00 177.00 177.71 1i9t n ARG 9 N -0.07 -1.07 0.00 4.56 1.74 -1.26 -4.87 116.66 115.69 1i9t n ARG 9 Ca 0.05 0.85 -0.17 0.00 -0.77 0.00 0.00 57.85 57.81 1i9t n ARG 9 Cb 0.48 -4.94 -0.14 0.00 -1.02 0.00 0.00 32.46 26.85 1i9t n ARG 9 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1i9t h TRP 10 N 0.00 0.35 -0.84 -1.55 7.01 -1.94 -3.36 115.95 115.63 1i9t h TRP 10 Ca -0.23 -0.25 0.08 0.00 2.11 0.00 0.00 58.89 60.60 1i9t h TRP 10 Cb 0.87 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.86 1i9t h TRP 10 CO 0.41 1.53 0.54 -0.07 -2.79 0.00 0.00 178.44 178.06 1i9t h LEU 11 N 0.05 0.77 -0.53 0.65 3.38 -1.89 -1.98 115.31 115.75 1i9t h LEU 11 Ca -0.37 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1i9t h LEU 11 Cb 2.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1i9t h LEU 11 CO 0.09 0.48 -0.37 0.59 0.09 0.00 0.00 178.44 179.31 1i9t n ASN 12 N -4.50 1.19 -4.72 -0.43 3.02 -1.26 -4.92 115.26 103.65 1i9t n ASN 12 Ca 0.13 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1i9t n ASN 12 Cb 0.26 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1i9t n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i9t n PRO 14 N 3.59 1.65 -0.21 0.00 -0.02 -1.26 -4.91 135.00 133.83 1i9t n PRO 14 Ca 0.06 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1i9t n PRO 14 Cb 0.50 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1i9t n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i9t h ARG 15 N 1.43 1.06 -4.19 -0.52 3.08 -1.95 -3.40 114.38 109.90 1i9t h ARG 15 Ca -0.50 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.07 1i9t h ARG 15 Cb 1.31 -0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.09 1i9t h ARG 15 CO 0.57 1.03 -0.69 -0.98 -1.07 0.00 0.00 179.97 178.83 1i9t s ARG 16 N -5.06 0.53 0.52 0.04 1.70 -1.26 -1.94 118.95 113.48 1i9t s ARG 16 Ca -0.12 -1.03 0.06 0.00 -0.47 0.00 0.00 55.73 54.18 1i9t s ARG 16 Cb 0.14 0.15 0.09 0.00 -0.57 0.00 0.00 34.95 34.75 1i9t s ARG 16 CO 0.85 -0.08 0.72 0.41 -1.08 0.00 0.00 175.30 176.12 1i9t n GLY 17 N 0.59 1.67 3.83 3.88 0.00 -0.07 -4.99 105.19 110.09 1i9t n GLY 17 Ca -0.17 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 1i9t n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9t s GLN 18 N -4.34 2.97 0.51 1.61 -0.21 -0.11 -4.64 119.66 115.45 1i9t s GLN 18 Ca 0.53 0.90 -0.22 0.00 0.02 0.00 0.00 55.36 56.59 1i9t s GLN 18 Cb -0.04 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.91 1i9t s GLN 18 CO 0.34 -1.06 1.21 -2.14 -2.12 0.00 0.00 175.29 171.52 1i9t s PRO 19 N -5.08 3.45 -0.17 2.91 0.02 -1.26 -4.53 135.00 130.34 1i9t s PRO 19 Ca 0.58 1.86 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 1i9t s PRO 19 Cb -0.14 -2.25 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 1i9t s PRO 19 CO 0.55 -0.83 -0.07 0.08 -0.33 0.00 0.00 177.00 176.40 1i9t s VAL 20 N -1.53 3.44 -1.86 3.83 1.01 0.55 -4.58 120.40 121.26 1i9t s VAL 20 Ca 0.69 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1i9t s VAL 20 Cb -0.31 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1i9t s VAL 20 CO 0.36 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.93 1i9t n ALA 21 N 4.05 -0.54 -1.34 5.51 0.00 -1.26 -1.67 120.51 125.25 1i9t n ALA 21 Ca -0.18 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1i9t n ALA 21 Cb 0.52 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 1i9t n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i9t n GLY 22 N -0.82 1.24 0.00 0.00 0.00 -1.26 -4.78 105.19 99.57 1i9t n GLY 22 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1i9t n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i9t n ARG 23 N -2.06 0.00 -3.96 1.61 3.00 -0.79 -4.92 116.66 109.53 1i9t n ARG 23 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.38 1i9t n ARG 23 Cb 0.46 -0.49 -0.08 0.00 0.00 0.00 0.00 32.46 32.35 1i9t n ARG 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1i9t s PHE 24 N -1.00 3.37 -0.35 -0.14 0.08 -0.67 -0.34 117.98 118.93 1i9t s PHE 24 Ca 0.00 0.28 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 1i9t s PHE 24 Cb 0.00 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1i9t s PHE 24 CO 0.00 0.40 0.10 -1.17 -0.10 0.00 0.00 175.22 174.45 1i9t s LEU 25 N -0.22 4.54 0.13 -0.37 2.96 0.38 -0.33 118.68 125.77 1i9t s LEU 25 Ca 0.09 -1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 52.13 1i9t s LEU 25 Cb -0.12 -1.79 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1i9t s LEU 25 CO 0.01 -0.39 1.10 -2.16 -1.32 0.00 0.00 176.35 173.59 1i9t s PRO 26 N 1.23 4.56 0.07 0.98 0.04 -1.26 -1.39 135.00 139.23 1i9t s PRO 26 Ca 0.01 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1i9t s PRO 26 Cb -0.21 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1i9t s PRO 26 CO -0.02 -0.01 -0.07 -0.51 0.04 0.00 0.00 177.00 176.44 1i9t s LEU 27 N 0.15 2.39 0.72 -3.56 1.43 -0.56 -0.89 118.68 118.35 1i9t s LEU 27 Ca 0.52 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1i9t s LEU 27 Cb -0.28 -0.11 0.06 0.00 0.03 0.00 0.00 46.19 45.88 1i9t s LEU 27 CO 0.32 -0.34 1.05 -1.59 0.23 0.00 0.00 176.35 176.03 1i9t s LYS 28 N -2.73 2.26 0.48 1.70 -2.85 -0.82 -3.49 119.74 114.29 1i9t s LYS 28 Ca 0.01 -0.08 -0.23 0.00 -1.00 0.00 0.00 55.97 54.67 1i9t s LYS 28 Cb -0.02 -2.11 -0.07 0.00 -2.06 0.00 0.00 37.83 33.57 1i9t s LYS 28 CO -0.02 -1.26 1.23 -0.08 0.10 0.00 0.00 175.35 175.32 1i9t s THR 29 N -3.32 2.77 0.77 3.79 -1.32 -0.67 -4.92 115.64 112.75 1i9t s THR 29 Ca 0.60 0.59 -0.11 0.00 -1.21 0.00 0.00 61.69 61.55 1i9t s THR 29 Cb -0.11 -3.30 0.05 0.00 -1.51 0.00 0.00 72.50 67.63 1i9t s THR 29 CO 0.46 0.00 1.08 -0.04 -2.21 0.00 0.00 174.62 173.92 1i9t s MET 30 N -2.71 2.31 -0.09 7.08 1.00 -1.26 -5.01 119.30 120.61 1i9t s MET 30 Ca 0.65 0.88 -0.00 0.00 0.00 0.00 0.00 55.69 57.22 1i9t s MET 30 Cb -0.33 -1.92 0.02 0.00 0.00 0.00 0.00 34.83 32.60 1i9t s MET 30 CO 0.40 -1.53 -0.05 -0.51 0.00 0.00 0.00 175.02 173.33 1i9t s LEU 31 N -5.79 1.05 1.15 -0.03 1.43 -0.62 -4.42 118.68 111.45 1i9t s LEU 31 Ca 0.60 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 1i9t s LEU 31 Cb -0.15 -0.70 0.27 0.00 0.03 0.00 0.00 46.19 45.64 1i9t s LEU 31 CO 0.55 -0.13 1.19 -0.83 0.23 0.00 0.00 176.35 177.37 1i9t s GLY 32 N 1.68 1.67 0.67 -3.19 0.00 0.14 -3.54 107.32 104.75 1i9t s GLY 32 Ca 0.03 -1.13 0.34 0.00 0.00 0.00 0.00 44.72 43.96 1i9t s GLY 32 CO -0.06 -0.24 2.03 -2.55 0.00 0.00 0.00 173.10 172.28 1i9t h PRO 33 N -2.35 0.00 -0.17 2.90 0.11 -1.96 -1.63 132.00 128.89 1i9t h PRO 33 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1i9t h PRO 33 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1i9t h PRO 33 CO 0.31 0.00 0.14 0.07 -0.21 0.00 0.00 178.00 178.32 1i9t h ARG 34 N 0.00 0.00 -0.49 1.05 0.11 -1.92 0.14 114.38 113.26 1i9t h ARG 34 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1i9t h ARG 34 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1i9t h ARG 34 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1i9t n TYR 35 N -4.24 0.65 0.27 4.08 4.01 -0.61 -4.52 117.16 116.80 1i9t n TYR 35 Ca 0.01 -0.33 0.10 0.00 -0.16 0.00 0.00 57.90 57.52 1i9t n TYR 35 Cb 0.27 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.01 1i9t n TYR 35 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1i9t h ASP 36 N 3.07 0.00 1.42 7.72 3.32 -1.12 -0.46 116.42 130.38 1i9t h ASP 36 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i9t h ASP 36 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1i9t h ASP 36 CO 0.00 0.01 0.00 0.77 -1.72 0.00 0.00 179.24 178.30 1i9t h SER 37 N 0.00 0.00 -0.01 6.45 4.64 -1.81 -3.06 113.55 119.76 1i9t h SER 37 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i9t h SER 37 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1i9t h SER 37 CO 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.26 1i9t n GLN 38 N -3.02 0.77 -3.89 4.77 6.02 -0.21 -4.91 117.38 116.91 1i9t n GLN 38 Ca 0.02 -0.52 -0.28 0.00 -0.01 0.00 0.00 57.00 56.22 1i9t n GLN 38 Cb 0.40 -1.46 -0.17 0.00 1.02 0.00 0.00 30.24 30.03 1i9t n GLN 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i9t s VAL 39 N -2.66 1.06 0.63 5.09 1.01 -1.01 -5.02 120.40 119.48 1i9t s VAL 39 Ca 0.13 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1i9t s VAL 39 Cb 0.17 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1i9t s VAL 39 CO 0.69 0.21 1.25 0.00 0.00 0.00 0.00 175.10 177.25 1i9t s ALA 40 N 1.67 2.45 0.27 5.51 0.00 -1.26 -4.75 121.76 125.64 1i9t s ALA 40 Ca 0.02 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1i9t s ALA 40 Cb -0.14 -3.51 0.54 0.00 0.00 0.00 0.00 23.12 20.01 1i9t s ALA 40 CO -0.08 -1.41 1.62 1.49 0.00 0.00 0.00 175.76 177.38 1i9t h GLU 41 N 0.68 0.09 0.00 0.00 4.22 -1.99 -0.08 114.58 117.50 1i9t h GLU 41 Ca -0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 1i9t h GLU 41 Cb 1.32 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1i9t h GLU 41 CO 0.54 0.06 -0.06 1.05 -2.18 0.00 0.00 179.01 178.42 1i9t h GLU 42 N 0.10 0.00 -0.29 1.92 9.09 -2.04 -2.46 114.58 120.89 1i9t h GLU 42 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1i9t h GLU 42 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1i9t h GLU 42 CO -0.73 0.06 0.00 0.09 0.05 0.00 0.00 179.01 178.48 1i9t n ASN 43 N -3.53 3.17 -4.79 3.06 3.02 -0.06 -5.02 115.26 111.11 1i9t n ASN 43 Ca -0.02 -1.93 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 1i9t n ASN 43 Cb 0.18 -0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1i9t n ASN 43 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1i9t s ARG 44 N -1.42 2.89 -0.43 3.52 0.52 -0.93 -4.92 118.95 118.18 1i9t s ARG 44 Ca 0.33 1.22 0.08 0.00 -0.52 0.00 0.00 55.73 56.83 1i9t s ARG 44 Cb 0.20 -1.97 0.27 0.00 0.52 0.00 0.00 34.95 33.97 1i9t s ARG 44 CO 0.28 -1.15 0.77 0.34 0.02 0.00 0.00 175.30 175.56 1i9t n PHE 45 N -2.61 -1.68 -1.42 -0.53 7.35 -1.26 -5.08 117.46 112.22 1i9t n PHE 45 Ca 0.09 -2.77 -0.32 0.00 -0.76 0.00 0.00 57.45 53.69 1i9t n PHE 45 Cb 0.53 0.60 0.08 0.00 0.35 0.00 0.00 39.48 41.03 1i9t n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1i9t s HIS 46 N -0.53 2.57 0.35 -5.13 3.76 -1.23 -1.58 115.29 113.50 1i9t s HIS 46 Ca 0.33 1.56 0.10 0.00 -0.15 0.00 0.00 55.06 56.89 1i9t s HIS 46 Cb 0.24 -3.10 0.85 0.00 1.11 0.00 0.00 32.58 31.68 1i9t s HIS 46 CO -0.14 -1.78 1.82 -1.35 -0.85 0.00 0.00 174.74 172.44 1i9t h PRO 47 N -0.74 0.64 -0.28 8.40 0.11 -1.94 -0.36 132.00 137.83 1i9t h PRO 47 Ca -0.45 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1i9t h PRO 47 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1i9t h PRO 47 CO 0.52 0.43 0.19 0.66 -0.21 0.00 0.00 178.00 179.59 1i9t h SER 48 N 0.66 0.14 -0.61 -2.05 4.64 -1.92 -1.32 113.55 113.09 1i9t h SER 48 Ca 0.51 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1i9t h SER 48 Cb 0.92 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1i9t h SER 48 CO -0.27 0.09 0.02 -0.03 -0.87 0.00 0.00 176.83 175.77 1i9t h MET 49 N 0.16 1.07 0.03 4.77 -1.53 -1.42 0.20 114.93 118.21 1i9t h MET 49 Ca 0.12 -0.33 -0.00 0.00 -3.44 0.00 0.00 59.70 56.05 1i9t h MET 49 Cb 0.30 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.24 1i9t h MET 49 CO -0.02 1.04 -0.01 1.25 0.14 0.00 0.00 176.91 179.30 1i9t h LEU 50 N 0.99 -0.03 -0.76 3.39 5.85 -1.29 -1.64 115.31 121.82 1i9t h LEU 50 Ca 0.18 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1i9t h LEU 50 Cb 0.54 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1i9t h LEU 50 CO 0.03 0.29 -0.07 0.77 -0.34 0.00 0.00 178.44 179.12 1i9t h SER 51 N -0.35 0.85 -0.30 1.25 4.64 -1.33 -1.80 113.55 116.51 1i9t h SER 51 Ca -0.00 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 1i9t h SER 51 Cb 0.33 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1i9t h SER 51 CO 0.01 0.96 0.01 0.78 -0.87 0.00 0.00 176.83 177.71 1i9t h ASN 52 N 0.79 0.60 -0.18 4.97 2.35 -0.56 -0.57 115.58 122.98 1i9t h ASN 52 Ca 0.14 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1i9t h ASN 52 Cb 0.58 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1i9t h ASN 52 CO 0.04 0.66 0.04 0.22 -1.65 0.00 0.00 177.43 176.73 1i9t h TYR 53 N 0.60 0.30 -0.65 1.19 3.20 -0.92 -1.27 116.97 119.42 1i9t h TYR 53 Ca 0.13 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1i9t h TYR 53 Cb 0.37 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1i9t h TYR 53 CO 0.02 0.43 0.41 -0.07 -1.64 0.00 0.00 178.16 177.31 1i9t h LEU 54 N 0.09 0.67 -1.12 2.82 3.38 -1.13 -2.29 115.31 117.73 1i9t h LEU 54 Ca 0.05 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i9t h LEU 54 Cb 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1i9t h LEU 54 CO 0.00 0.47 0.60 0.11 0.09 0.00 0.00 178.44 179.70 1i9t h LYS 55 N 0.80 1.17 0.00 1.13 1.57 -0.95 -1.44 116.57 118.85 1i9t h LYS 55 Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1i9t h LYS 55 Cb 0.01 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1i9t h LYS 55 CO -0.10 0.77 -0.08 0.66 -0.57 0.00 0.00 179.45 180.13 1i9t h SER 56 N 1.21 0.00 -0.46 0.86 4.64 -0.65 -1.69 113.55 117.46 1i9t h SER 56 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1i9t h SER 56 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1i9t h SER 56 CO -0.08 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1i9t n LEU 57 N -3.91 3.54 -3.64 5.97 4.77 -0.63 -4.96 117.00 118.15 1i9t n LEU 57 Ca -0.02 -1.62 -0.23 0.00 -0.03 0.00 0.00 56.01 54.10 1i9t n LEU 57 Cb 0.17 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1i9t n LEU 57 CO 0.31 0.80 0.11 0.29 -1.33 0.00 0.00 177.39 177.56 1i9t n LYS 58 N 1.49 -6.42 -5.25 3.23 5.02 -0.64 -5.00 118.16 110.59 1i9t n LYS 58 Ca 0.20 0.74 -0.31 0.00 -2.02 0.00 0.00 58.31 56.93 1i9t n LYS 58 Cb 0.60 -5.64 -0.16 0.00 -0.02 0.00 0.00 35.03 29.81 1i9t n LYS 58 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i9t s VAL 59 N -3.41 2.00 0.04 -0.18 1.01 -0.70 -5.04 120.40 114.12 1i9t s VAL 59 Ca 0.30 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1i9t s VAL 59 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1i9t s VAL 59 CO 0.77 0.56 -0.03 -0.54 0.00 0.00 0.00 175.10 175.86 1i9t s LYS 60 N -0.42 2.57 -0.23 2.72 1.02 -1.26 -4.16 119.74 119.99 1i9t s LYS 60 Ca 0.04 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 1i9t s LYS 60 Cb -0.11 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1i9t s LYS 60 CO 0.01 0.58 0.08 1.41 -0.92 0.00 0.00 175.35 176.51 1i9t s MET 61 N -1.84 3.80 0.04 1.68 -2.45 -1.26 -1.35 119.30 117.92 1i9t s MET 61 Ca 0.21 -0.41 -0.19 0.00 -1.25 0.00 0.00 55.69 54.05 1i9t s MET 61 Cb -0.11 -3.33 -0.15 0.00 1.25 0.00 0.00 34.83 32.48 1i9t s MET 61 CO 0.13 -0.03 1.29 0.77 1.05 0.00 0.00 175.02 178.23 1i9t h SER 62 N 7.72 0.50 -4.00 1.11 0.02 -1.10 -3.41 113.55 114.39 1i9t h SER 62 Ca -0.37 -0.56 -0.14 0.00 -0.84 0.00 0.00 61.79 59.88 1i9t h SER 62 Cb 1.18 -0.15 -0.24 0.00 0.14 0.00 0.00 62.40 63.33 1i9t h SER 62 CO 0.61 0.97 -0.33 -0.22 -1.14 0.00 0.00 176.83 176.72 1i9t s LEU 63 N -8.86 0.77 -0.18 5.07 2.96 -1.25 -1.13 118.68 116.07 1i9t s LEU 63 Ca -0.14 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1i9t s LEU 63 Cb 0.05 1.13 0.02 0.00 0.50 0.00 0.00 46.19 47.90 1i9t s LEU 63 CO 0.79 -0.16 -0.19 -0.22 -1.32 0.00 0.00 176.35 175.25 1i9t s LEU 64 N -0.02 2.16 -0.32 -0.68 2.96 0.08 -0.79 118.68 122.07 1i9t s LEU 64 Ca -0.02 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 1i9t s LEU 64 Cb -0.03 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1i9t s LEU 64 CO 0.01 0.00 0.17 -0.69 -1.32 0.00 0.00 176.35 174.52 1i9t s VAL 65 N 1.29 4.75 -0.35 1.68 1.01 0.11 -1.57 120.40 127.32 1i9t s VAL 65 Ca 0.05 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1i9t s VAL 65 Cb -0.13 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1i9t s VAL 65 CO -0.12 0.04 0.24 -0.62 0.00 0.00 0.00 175.10 174.64 1i9t s ASP 66 N 1.64 6.05 -0.21 3.32 -1.08 -0.10 -1.28 116.67 125.02 1i9t s ASP 66 Ca 0.05 -0.48 0.15 0.00 -0.52 0.00 0.00 52.55 51.75 1i9t s ASP 66 Cb -0.17 -2.14 0.70 0.00 -1.46 0.00 0.00 42.92 39.86 1i9t s ASP 66 CO 0.07 -0.26 1.62 0.18 0.52 0.00 0.00 175.17 177.30 1i9t n LEU 67 N 5.11 4.98 0.12 -1.34 4.77 0.73 -0.77 117.00 130.60 1i9t n LEU 67 Ca -0.12 -2.92 0.12 0.00 -0.03 0.00 0.00 56.01 53.05 1i9t n LEU 67 Cb 0.49 -0.62 0.20 0.00 -2.33 0.00 0.00 43.42 41.16 1i9t n LEU 67 CO 0.37 0.66 0.55 0.71 -1.33 0.00 0.00 177.39 178.35 1i9t h THR 68 N 3.18 0.00 -1.57 -5.08 1.35 -1.84 -3.44 112.91 105.51 1i9t h THR 68 Ca 0.00 -0.73 -0.32 0.00 -0.55 0.00 0.00 66.41 64.81 1i9t h THR 68 Cb 1.74 1.52 -0.06 0.00 -1.73 0.00 0.00 68.15 69.61 1i9t h THR 68 CO 0.37 0.00 -0.35 0.59 -0.25 0.00 0.00 175.52 175.88 1i9t n ASN 69 N -2.54 -4.77 -3.73 5.36 3.02 -1.26 -4.96 115.26 106.37 1i9t n ASN 69 Ca 0.03 0.16 -0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1i9t n ASN 69 Cb 0.48 -3.79 -0.07 0.00 -0.61 0.00 0.00 39.78 35.79 1i9t n ASN 69 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i9t s THR 70 N -2.69 0.07 -0.65 3.41 -1.32 -1.26 -5.05 115.64 108.16 1i9t s THR 70 Ca 0.00 -0.60 0.09 0.00 -1.21 0.00 0.00 61.69 59.97 1i9t s THR 70 Cb 0.00 -0.90 0.26 0.00 -1.51 0.00 0.00 72.50 70.36 1i9t s THR 70 CO 0.00 -0.33 1.22 -1.20 -2.21 0.00 0.00 174.62 172.10 1i9t n SER 71 N 0.66 2.82 -0.00 8.08 7.64 -1.26 -4.70 113.62 126.85 1i9t n SER 71 Ca -0.19 -2.12 0.14 0.00 1.01 0.00 0.00 58.87 57.71 1i9t n SER 71 Cb 0.59 -0.22 0.63 0.00 -1.01 0.00 0.00 64.21 64.20 1i9t n SER 71 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1i9t n ARG 72 N 0.16 0.07 0.02 1.43 1.85 -1.26 -4.11 116.66 114.82 1i9t n ARG 72 Ca 0.10 -0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.73 1i9t n ARG 72 Cb 0.44 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.21 1i9t n ARG 72 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1i9t h PHE 73 N 0.01 0.53 -3.34 2.89 0.04 -1.88 -3.48 116.94 111.70 1i9t h PHE 73 Ca 0.00 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 1i9t h PHE 73 Cb 0.47 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.51 1i9t h PHE 73 CO 0.00 1.70 0.03 1.52 -0.60 0.00 0.00 178.31 180.97 1i9t s TYR 74 N -2.54 0.03 -0.27 -0.55 1.13 -1.26 -0.68 117.35 113.21 1i9t s TYR 74 Ca -0.20 -0.42 -0.21 0.00 -1.41 0.00 0.00 57.07 54.83 1i9t s TYR 74 Cb 0.06 0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 1i9t s TYR 74 CO 0.79 -1.04 0.67 0.34 -2.51 0.00 0.00 175.55 173.80 1i9t s ASP 75 N -2.94 6.59 0.57 -0.18 -1.08 -1.26 -4.94 116.67 113.44 1i9t s ASP 75 Ca 0.14 0.66 0.27 0.00 -0.52 0.00 0.00 52.55 53.10 1i9t s ASP 75 Cb -0.02 -2.35 1.60 0.00 -1.46 0.00 0.00 42.92 40.68 1i9t s ASP 75 CO 0.04 -0.45 2.11 0.08 0.52 0.00 0.00 175.17 177.47 1i9t h ARG 76 N 7.98 0.00 0.00 4.34 0.11 -2.00 -1.09 114.38 123.71 1i9t h ARG 76 Ca -0.26 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.81 1i9t h ARG 76 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1i9t h ARG 76 CO 0.81 0.00 -0.05 -0.97 0.10 0.00 0.00 179.97 179.86 1i9t h ASN 77 N 0.00 0.00 0.84 0.08 -1.24 -1.98 -1.73 115.58 111.55 1i9t h ASN 77 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1i9t h ASN 77 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1i9t h ASN 77 CO -0.00 0.05 -0.20 0.44 -1.29 0.00 0.00 177.43 176.43 1i9t h ASP 78 N 0.00 0.00 0.03 1.15 3.32 -1.61 0.45 116.42 119.76 1i9t h ASP 78 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1i9t h ASP 78 Cb 0.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1i9t h ASP 78 CO 0.01 0.20 -0.96 0.40 -1.72 0.00 0.00 179.24 177.17 1i9t h ILE 79 N 0.00 1.18 -0.07 0.35 1.08 -1.48 -3.39 117.51 115.18 1i9t h ILE 79 Ca -0.00 -2.28 -0.07 0.00 -0.39 0.00 0.00 64.86 62.12 1i9t h ILE 79 Cb 0.67 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 37.07 1i9t h ILE 79 CO 0.03 0.49 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.38 1i9t h GLU 80 N -0.83 0.12 0.00 2.37 5.08 -1.21 -2.32 114.58 117.80 1i9t h GLU 80 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1i9t h GLU 80 Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1i9t h GLU 80 CO -0.09 0.38 0.00 1.57 -1.00 0.00 0.00 179.01 179.87 1i9t h LYS 81 N 0.11 0.00 -0.37 2.33 2.10 -1.10 -1.33 116.57 118.31 1i9t h LYS 81 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1i9t h LYS 81 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1i9t h LYS 81 CO 0.04 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.88 1i9t n GLU 82 N -2.86 1.98 -0.83 0.07 -0.58 -0.88 -4.92 120.64 112.62 1i9t n GLU 82 Ca 0.00 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.24 1i9t n GLU 82 Cb 0.25 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1i9t n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i9t n GLY 83 N 1.20 0.55 3.75 0.62 0.00 -0.50 -5.03 105.19 105.78 1i9t n GLY 83 Ca 0.15 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1i9t n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9t s ILE 84 N -2.00 5.32 0.21 -0.61 1.01 -1.18 -4.94 121.20 119.01 1i9t s ILE 84 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1i9t s ILE 84 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1i9t s ILE 84 CO 0.00 0.44 1.18 -0.75 0.00 0.00 0.00 174.94 175.81 1i9t s LYS 85 N 0.15 4.52 -0.11 2.79 2.20 -0.28 -3.79 119.74 125.21 1i9t s LYS 85 Ca 0.16 1.87 0.02 0.00 -0.36 0.00 0.00 55.97 57.65 1i9t s LYS 85 Cb -0.13 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1i9t s LYS 85 CO 0.04 -0.02 -0.18 -0.47 -0.36 0.00 0.00 175.35 174.35 1i9t s TYR 86 N -0.35 2.69 -0.05 4.03 6.14 -1.26 -0.74 117.35 127.82 1i9t s TYR 86 Ca 0.51 -0.83 0.02 0.00 0.64 0.00 0.00 57.07 57.41 1i9t s TYR 86 Cb -0.33 -1.78 0.02 0.00 0.42 0.00 0.00 41.96 40.29 1i9t s TYR 86 CO 0.38 -0.30 -0.08 0.42 0.64 0.00 0.00 175.55 176.61 1i9t s ILE 87 N 0.33 0.78 -0.42 3.14 -1.09 -0.61 -4.98 121.20 118.35 1i9t s ILE 87 Ca -0.14 -0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 1i9t s ILE 87 Cb -0.17 -0.76 0.02 0.00 -1.58 0.00 0.00 42.46 39.98 1i9t s ILE 87 CO 0.07 0.28 0.42 -0.75 -1.23 0.00 0.00 174.94 173.73 1i9t s LYS 88 N 0.80 3.08 -0.45 2.79 2.20 -1.26 -0.92 119.74 125.98 1i9t s LYS 88 Ca -0.13 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 54.56 1i9t s LYS 88 Cb -0.15 -3.98 0.08 0.00 -1.51 0.00 0.00 37.83 32.28 1i9t s LYS 88 CO 0.02 -0.85 0.32 -1.17 -0.36 0.00 0.00 175.35 173.30 1i9t s LEU 89 N 2.08 5.39 -0.04 5.43 0.20 0.05 -4.96 118.68 126.84 1i9t s LEU 89 Ca 0.11 -1.50 -0.30 0.00 0.69 0.00 0.00 54.13 53.13 1i9t s LEU 89 Cb -0.17 -2.06 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 1i9t s LEU 89 CO 0.13 -0.60 1.38 -1.58 -0.29 0.00 0.00 176.35 175.39 1i9t s GLN 90 N 1.49 4.28 0.16 1.98 2.00 -1.26 -4.46 119.66 123.85 1i9t s GLN 90 Ca 0.04 1.90 0.06 0.00 -2.00 0.00 0.00 55.36 55.36 1i9t s GLN 90 Cb -0.24 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 1i9t s GLN 90 CO 0.03 -0.60 0.06 0.00 -0.50 0.00 0.00 175.29 174.28 1i9t n LYS 92 N -0.16 1.21 0.00 0.00 0.00 -1.26 -4.98 118.16 112.97 1i9t n LYS 92 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 58.31 58.66 1i9t n LYS 92 Cb 0.55 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1i9t n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i9t n GLY 93 N 2.53 1.34 2.40 3.14 0.00 -1.26 -4.47 105.19 108.88 1i9t n GLY 93 Ca 0.18 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 1i9t n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i9t n HIS 94 N 0.00 -0.59 -0.91 1.61 8.25 -1.26 -1.47 115.22 120.85 1i9t n HIS 94 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i9t n HIS 94 Cb 0.00 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 27.75 1i9t n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i9t n GLY 95 N -0.62 0.51 3.81 -1.41 0.00 -1.26 -5.01 105.19 101.21 1i9t n GLY 95 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1i9t n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i9t s GLU 96 N -0.50 3.39 0.75 1.61 2.02 -0.54 -5.02 118.70 120.41 1i9t s GLU 96 Ca 0.00 1.11 -0.11 0.00 0.02 0.00 0.00 54.97 55.99 1i9t s GLU 96 Cb 0.00 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.22 1i9t s GLU 96 CO 0.00 -0.74 1.09 0.00 0.02 0.00 0.00 175.26 175.62 1i9t n PRO 98 N -3.24 1.90 -1.38 0.00 -0.02 -1.26 -4.75 135.00 126.24 1i9t n PRO 98 Ca 0.07 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1i9t n PRO 98 Cb 0.56 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 1i9t n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i9t s THR 99 N -0.67 1.93 0.32 3.45 -4.23 -1.26 -4.83 115.64 110.35 1i9t s THR 99 Ca 0.61 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1i9t s THR 99 Cb -0.64 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 70.74 1i9t s THR 99 CO 0.57 0.00 1.89 0.71 -0.54 0.00 0.00 174.62 177.25 1i9t h THR 100 N -1.82 1.20 -0.49 3.99 1.35 -1.99 -1.42 112.91 113.71 1i9t h THR 100 Ca -0.50 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1i9t h THR 100 Cb 1.32 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1i9t h THR 100 CO 0.54 0.25 0.18 -0.33 -0.25 0.00 0.00 175.52 175.92 1i9t h GLU 101 N 0.69 0.75 -0.87 4.72 3.07 -1.99 -0.65 114.58 120.30 1i9t h GLU 101 Ca 0.16 -0.14 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1i9t h GLU 101 Cb 0.21 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1i9t h GLU 101 CO -0.01 0.68 0.56 -0.91 -1.40 0.00 0.00 179.01 177.93 1i9t h ASN 102 N 0.66 0.94 -0.42 1.42 2.35 -1.77 -0.17 115.58 118.60 1i9t h ASN 102 Ca 0.16 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1i9t h ASN 102 Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1i9t h ASN 102 CO -0.01 0.65 -0.19 0.71 -1.65 0.00 0.00 177.43 176.94 1i9t h THR 103 N 1.10 1.27 -0.68 2.81 1.35 -1.05 -1.11 112.91 116.60 1i9t h THR 103 Ca 0.34 -1.34 -0.05 0.00 -0.55 0.00 0.00 66.41 64.82 1i9t h THR 103 Cb -0.02 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 1i9t h THR 103 CO -0.11 0.46 0.23 -0.08 -0.25 0.00 0.00 175.52 175.77 1i9t h GLU 104 N 0.80 1.04 -0.50 4.72 4.81 -0.75 -0.01 114.58 124.69 1i9t h GLU 104 Ca 0.11 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1i9t h GLU 104 Cb 0.74 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1i9t h GLU 104 CO 0.06 0.87 0.19 1.15 -0.73 0.00 0.00 179.01 180.55 1i9t h THR 105 N 1.00 1.21 -0.52 0.32 2.02 -0.76 -0.72 112.91 115.47 1i9t h THR 105 Ca 0.23 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1i9t h THR 105 Cb 0.25 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1i9t h THR 105 CO -0.01 0.25 0.21 0.15 0.37 0.00 0.00 175.52 176.49 1i9t h PHE 106 N 0.67 0.79 -0.45 3.16 3.57 -0.84 -1.80 116.94 122.03 1i9t h PHE 106 Ca 0.17 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1i9t h PHE 106 Cb 0.21 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1i9t h PHE 106 CO 0.01 0.65 -0.15 0.82 -2.23 0.00 0.00 178.31 177.41 1i9t h ILE 107 N 0.70 1.27 -0.81 1.41 2.04 -0.80 -0.47 117.51 120.86 1i9t h ILE 107 Ca 0.17 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1i9t h ILE 107 Cb 0.20 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1i9t h ILE 107 CO -0.01 0.44 0.52 -0.09 0.00 0.00 0.00 178.15 179.01 1i9t h ARG 108 N 0.73 1.01 0.22 2.37 2.43 -1.04 -0.45 114.38 119.65 1i9t h ARG 108 Ca 0.11 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1i9t h ARG 108 Cb 0.71 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1i9t h ARG 108 CO 0.05 0.67 -0.10 1.25 -1.51 0.00 0.00 179.97 180.33 1i9t h LEU 109 N 1.05 -0.25 -1.52 3.80 5.85 -1.22 -3.32 115.31 119.69 1i9t h LEU 109 Ca 0.31 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1i9t h LEU 109 Cb -0.05 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1i9t h LEU 109 CO -0.09 0.19 -0.25 0.00 -0.34 0.00 0.00 178.44 177.95 1i9t h GLU 111 N 0.00 0.00 0.00 0.00 4.11 -1.17 -1.09 114.58 116.43 1i9t h GLU 111 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i9t h GLU 111 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1i9t h GLU 111 CO 0.03 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.65 1i9t n ARG 112 N -2.70 0.16 0.00 1.06 1.74 -0.96 -4.24 116.66 111.72 1i9t n ARG 112 Ca 0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1i9t n ARG 112 Cb 0.24 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1i9t n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1i9t n PHE 113 N -2.02 0.00 0.28 -1.55 3.72 -0.67 -4.83 117.46 112.39 1i9t n PHE 113 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 1i9t n PHE 113 Cb 0.32 0.00 0.83 0.00 -0.94 0.00 0.00 39.48 39.69 1i9t n PHE 113 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1i9t h ASN 114 N 0.00 0.00 -0.94 4.37 -1.24 -1.41 -3.17 115.58 113.19 1i9t h ASN 114 Ca 0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 1i9t h ASN 114 Cb 0.19 0.00 -0.29 0.00 0.73 0.00 0.00 38.32 38.95 1i9t h ASN 114 CO 0.00 0.04 0.62 -0.62 -1.29 0.00 0.00 177.43 176.18 1i9t n GLU 115 N -3.86 2.35 -2.10 6.67 1.02 -1.26 -4.91 120.64 118.54 1i9t n GLU 115 Ca -0.03 -3.12 -0.33 0.00 -0.02 0.00 0.00 57.16 53.66 1i9t n GLU 115 Cb 0.13 -2.18 0.01 0.00 -0.02 0.00 0.00 31.44 29.38 1i9t n GLU 115 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1i9t s ARG 116 N -3.44 3.30 -0.06 3.49 0.52 -1.20 -5.04 118.95 116.53 1i9t s ARG 116 Ca 0.58 1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 57.09 1i9t s ARG 116 Cb 0.48 -2.02 0.04 0.00 0.52 0.00 0.00 34.95 33.96 1i9t s ARG 116 CO 0.07 -0.84 0.11 0.45 0.02 0.00 0.00 175.30 175.11 1i9t s SER 117 N -2.47 0.33 0.82 0.23 0.15 -1.26 -3.02 113.70 108.48 1i9t s SER 117 Ca 0.66 0.22 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 1i9t s SER 117 Cb -0.18 0.10 0.09 0.00 -1.71 0.00 0.00 66.02 64.32 1i9t s SER 117 CO 0.34 -0.18 1.10 -2.84 1.20 0.00 0.00 173.24 172.85 1i9t s PRO 118 N 1.58 1.84 0.45 5.44 0.02 -1.26 -5.11 135.00 137.96 1i9t s PRO 118 Ca -0.04 1.20 -0.25 0.00 0.02 0.00 0.00 61.00 61.93 1i9t s PRO 118 Cb -0.12 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 1i9t s PRO 118 CO -0.05 -1.95 1.43 -0.35 -0.33 0.00 0.00 177.00 175.75 1i9t n PRO 119 N -3.73 2.24 -4.16 5.54 -0.04 -1.17 -5.04 135.00 128.65 1i9t n PRO 119 Ca 0.09 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1i9t n PRO 119 Cb 0.53 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.27 1i9t n PRO 119 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i9t s GLU 120 N -2.44 0.80 0.30 0.54 2.02 -1.26 -4.67 118.70 113.99 1i9t s GLU 120 Ca 0.61 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.35 1i9t s GLU 120 Cb -0.45 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1i9t s GLU 120 CO 0.57 0.00 0.50 -0.51 0.02 0.00 0.00 175.26 175.85 1i9t s LEU 121 N -2.80 4.09 -0.25 1.80 1.43 -0.46 -4.77 118.68 117.71 1i9t s LEU 121 Ca 0.08 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1i9t s LEU 121 Cb 0.02 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1i9t s LEU 121 CO -0.03 -0.21 0.00 -0.63 0.23 0.00 0.00 176.35 175.71 1i9t s ILE 122 N -2.16 3.52 0.25 -0.59 1.01 0.54 -0.51 121.20 123.27 1i9t s ILE 122 Ca 0.40 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 1i9t s ILE 122 Cb -0.10 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 1i9t s ILE 122 CO 0.33 0.25 0.87 -0.83 0.00 0.00 0.00 174.94 175.56 1i9t s GLY 123 N 1.46 2.86 -0.06 6.18 0.00 0.03 -0.47 107.32 117.32 1i9t s GLY 123 Ca 0.03 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.20 1i9t s GLY 123 CO -0.01 0.91 -0.06 0.14 0.00 0.00 0.00 173.10 174.08 1i9t s VAL 124 N -1.41 0.69 0.32 1.40 1.01 -0.49 -0.71 120.40 121.22 1i9t s VAL 124 Ca 0.44 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1i9t s VAL 124 Cb -0.21 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1i9t s VAL 124 CO 0.25 0.27 0.37 -1.38 0.00 0.00 0.00 175.10 174.62 1i9t s HIS 125 N 1.06 1.33 0.07 5.22 -3.43 -0.40 -1.49 115.29 117.64 1i9t s HIS 125 Ca -0.08 -1.43 -0.18 0.00 -0.80 0.00 0.00 55.06 52.56 1i9t s HIS 125 Cb -0.14 -0.36 -0.12 0.00 -1.43 0.00 0.00 32.58 30.53 1i9t s HIS 125 CO -0.01 -0.99 1.37 1.15 -2.00 0.00 0.00 174.74 174.26 1i9t h THR 127 N 2.16 1.33 0.00 -5.38 2.02 -1.91 0.21 112.91 111.34 1i9t h THR 127 Ca -0.27 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1i9t h THR 127 Cb 1.24 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1i9t h THR 127 CO 0.39 0.43 -1.68 1.41 0.37 0.00 0.00 175.52 176.44 1i9t n HIS 128 N -4.40 0.00 -0.65 3.16 8.25 -1.26 -1.66 115.22 118.65 1i9t n HIS 128 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1i9t n HIS 128 Cb 0.43 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1i9t n HIS 128 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i9t n GLY 129 N 1.57 0.72 1.08 -1.41 0.00 -1.23 -4.02 105.19 101.90 1i9t n GLY 129 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1i9t n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i9t n PHE 130 N -2.58 -0.09 -0.01 1.61 3.72 -1.26 -4.65 117.46 114.20 1i9t n PHE 130 Ca 0.00 0.02 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1i9t n PHE 130 Cb 0.04 0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1i9t n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1i9t h ASN 131 N 0.00 -0.07 -0.66 4.37 2.35 -1.94 -0.82 115.58 118.80 1i9t h ASN 131 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1i9t h ASN 131 Cb 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1i9t h ASN 131 CO 0.00 0.41 0.20 0.03 -1.65 0.00 0.00 177.43 176.42 1i9t h ARG 132 N -1.01 1.03 0.11 0.81 3.08 -1.98 -0.41 114.38 116.00 1i9t h ARG 132 Ca -0.01 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1i9t h ARG 132 Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1i9t h ARG 132 CO 0.01 0.90 -0.05 1.15 -1.07 0.00 0.00 179.97 180.91 1i9t h THR 133 N 0.96 0.90 -0.56 2.04 2.02 -1.88 -2.08 112.91 114.30 1i9t h THR 133 Ca 0.21 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 1i9t h THR 133 Cb 0.30 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1i9t h THR 133 CO -0.01 0.00 0.04 1.23 0.37 0.00 0.00 175.52 177.16 1i9t h GLY 134 N -0.16 1.01 0.92 2.16 0.00 -1.03 -2.05 103.07 103.93 1i9t h GLY 134 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.65 1i9t h GLY 134 CO 0.02 0.63 -0.02 -2.75 0.00 0.00 0.00 176.54 174.42 1i9t h PHE 135 N 0.87 -0.05 -0.37 5.60 3.04 -0.86 -0.02 116.94 125.16 1i9t h PHE 135 Ca 0.17 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.99 1i9t h PHE 135 Cb 0.45 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1i9t h PHE 135 CO 0.03 -0.03 -0.29 -0.07 -2.02 0.00 0.00 178.31 175.92 1i9t h LEU 136 N -0.03 0.90 -0.52 0.59 3.38 -1.35 -1.02 115.31 117.26 1i9t h LEU 136 Ca 0.02 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1i9t h LEU 136 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1i9t h LEU 136 CO -0.04 1.15 0.34 0.40 0.09 0.00 0.00 178.44 180.39 1i9t h ILE 137 N 0.65 1.14 -0.67 1.22 2.04 -1.28 -1.41 117.51 119.20 1i9t h ILE 137 Ca 0.07 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1i9t h ILE 137 Cb 0.87 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1i9t h ILE 137 CO 0.08 0.13 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1i9t h ALA 139 N 1.14 1.27 -0.57 0.00 0.00 -0.96 -1.26 119.26 118.89 1i9t h ALA 139 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1i9t h ALA 139 Cb 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1i9t h ALA 139 CO -0.03 0.60 -0.06 0.35 0.00 0.00 0.00 179.25 180.12 1i9t h PHE 140 N 1.30 1.16 -0.80 0.00 3.04 -0.66 -0.16 116.94 120.82 1i9t h PHE 140 Ca 0.37 -0.22 -0.03 0.00 3.98 0.00 0.00 57.97 62.07 1i9t h PHE 140 Cb -0.09 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.08 1i9t h PHE 140 CO -0.00 1.05 0.39 -0.07 -2.02 0.00 0.00 178.31 177.66 1i9t h LEU 141 N 0.94 1.04 0.02 0.59 3.38 -0.62 0.71 115.31 121.37 1i9t h LEU 141 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i9t h LEU 141 Cb 0.62 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i9t h LEU 141 CO 0.04 0.87 -0.01 0.58 0.09 0.00 0.00 178.44 180.01 1i9t h VAL 142 N 1.14 1.46 -0.11 1.22 2.07 -1.10 -1.80 116.25 119.13 1i9t h VAL 142 Ca 0.28 -1.75 -0.18 0.00 0.82 0.00 0.00 66.70 65.87 1i9t h VAL 142 Cb 0.10 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1i9t h VAL 142 CO -0.04 0.43 -0.69 -0.33 0.02 0.00 0.00 177.57 176.97 1i9t h GLU 143 N -0.82 0.48 0.00 1.57 5.08 -0.92 -3.15 114.58 116.81 1i9t h GLU 143 Ca -0.00 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 1i9t h GLU 143 Cb 0.73 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1i9t h GLU 143 CO 0.01 0.99 -1.87 1.63 -1.00 0.00 0.00 179.01 178.77 1i9t n LYS 144 N -3.88 1.54 0.00 2.33 4.76 0.23 -4.64 118.16 118.50 1i9t n LYS 144 Ca -0.04 -0.03 0.10 0.00 -2.87 0.00 0.00 58.31 55.46 1i9t n LYS 144 Cb 0.68 -1.34 0.05 0.00 -1.84 0.00 0.00 35.03 32.58 1i9t n LYS 144 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1i9t n MET 145 N -2.40 1.65 -2.66 1.97 2.81 -0.93 -5.00 117.12 112.56 1i9t n MET 145 Ca -0.18 -1.34 -0.19 0.00 -1.81 0.00 0.00 57.70 54.18 1i9t n MET 145 Cb 0.83 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 31.98 1i9t n MET 145 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1i9t n ASP 146 N 0.60 -5.47 -4.88 7.83 8.00 -0.77 -4.95 116.55 116.91 1i9t n ASP 146 Ca 0.10 -0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.16 1i9t n ASP 146 Cb 0.45 -4.41 -0.02 0.00 -0.02 0.00 0.00 41.12 37.13 1i9t n ASP 146 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1i9t s TRP 147 N -3.02 3.53 0.61 1.24 0.52 -0.75 -5.00 118.94 116.07 1i9t s TRP 147 Ca 0.14 1.07 -0.13 0.00 0.02 0.00 0.00 56.10 57.20 1i9t s TRP 147 Cb -0.06 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 1i9t s TRP 147 CO 0.18 -0.30 1.03 -1.54 0.02 0.00 0.00 176.95 176.35 1i9t s SER 148 N -3.62 6.00 0.31 2.95 1.04 -1.26 -4.24 113.70 114.87 1i9t s SER 148 Ca 0.52 1.59 0.09 0.00 0.48 0.00 0.00 55.95 58.63 1i9t s SER 148 Cb -0.10 -2.50 0.48 0.00 0.10 0.00 0.00 66.02 64.00 1i9t s SER 148 CO 0.39 -1.02 1.70 -0.29 0.98 0.00 0.00 173.24 175.00 1i9t h ILE 149 N 0.01 1.34 -0.39 -1.02 6.09 -1.95 -1.34 117.51 120.25 1i9t h ILE 149 Ca -0.45 -1.66 -0.00 0.00 -1.37 0.00 0.00 64.86 61.38 1i9t h ILE 149 Cb 1.20 1.84 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 1i9t h ILE 149 CO 0.59 0.48 0.24 -0.33 -3.07 0.00 0.00 178.15 176.07 1i9t h GLU 150 N 0.09 0.53 -0.60 2.19 3.07 -1.95 -1.09 114.58 116.81 1i9t h GLU 150 Ca 0.00 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 1i9t h GLU 150 Cb 0.88 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1i9t h GLU 150 CO 0.07 0.40 0.07 0.00 -1.40 0.00 0.00 179.01 178.15 1i9t h ALA 151 N 1.11 0.81 0.06 3.43 0.00 -1.84 -1.77 119.26 121.06 1i9t h ALA 151 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i9t h ALA 151 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1i9t h ALA 151 CO -0.03 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1i9t h ALA 152 N 1.01 -0.08 -0.54 0.00 0.00 -0.93 -0.01 119.26 118.70 1i9t h ALA 152 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1i9t h ALA 152 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1i9t h ALA 152 CO 0.02 -0.46 0.14 0.28 0.00 0.00 0.00 179.25 179.23 1i9t h VAL 153 N -0.26 1.24 -0.61 0.00 2.07 -1.19 -0.47 116.25 117.03 1i9t h VAL 153 Ca -0.01 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1i9t h VAL 153 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1i9t h VAL 153 CO 0.01 0.32 0.06 0.00 0.02 0.00 0.00 177.57 177.98 1i9t h ALA 154 N 1.01 0.82 -0.52 1.67 0.00 -1.24 -1.40 119.26 119.59 1i9t h ALA 154 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1i9t h ALA 154 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1i9t h ALA 154 CO 0.00 0.61 0.09 1.15 0.00 0.00 0.00 179.25 181.10 1i9t h THR 155 N 0.94 1.25 -0.39 0.00 2.02 -0.72 -2.03 112.91 113.99 1i9t h THR 155 Ca 0.18 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1i9t h THR 155 Cb 0.48 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1i9t h THR 155 CO 0.02 0.34 -0.01 0.15 0.37 0.00 0.00 175.52 176.39 1i9t h PHE 156 N 0.75 0.65 -0.38 3.16 3.57 -0.93 0.53 116.94 124.29 1i9t h PHE 156 Ca 0.16 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1i9t h PHE 156 Cb 0.40 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1i9t h PHE 156 CO 0.03 0.63 -0.05 0.00 -2.23 0.00 0.00 178.31 176.70 1i9t h ALA 157 N 1.40 1.21 0.07 2.41 0.00 -0.98 -0.48 119.26 122.90 1i9t h ALA 157 Ca 0.12 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1i9t h ALA 157 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i9t h ALA 157 CO 0.02 0.51 -1.15 1.96 0.00 0.00 0.00 179.25 180.59 1i9t h GLN 158 N 0.58 0.16 -0.02 0.00 4.20 -0.87 -3.07 115.11 116.09 1i9t h GLN 158 Ca 0.11 -0.27 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1i9t h GLN 158 Cb 0.44 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1i9t h GLN 158 CO 0.02 1.12 -0.74 0.00 -0.67 0.00 0.00 178.83 178.56 1i9t h ALA 159 N 0.75 0.71 -1.95 3.87 0.00 -0.55 -3.38 119.26 118.71 1i9t h ALA 159 Ca -0.09 -0.65 -0.51 0.00 0.00 0.00 0.00 54.91 53.66 1i9t h ALA 159 Cb 1.89 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 19.20 1i9t h ALA 159 CO 0.17 0.85 -1.14 -2.13 0.00 0.00 0.00 179.25 177.00 1i9t n ARG 160 N -3.74 0.84 -1.75 0.00 3.00 -0.22 -0.93 116.66 113.86 1i9t n ARG 160 Ca -0.02 -3.26 -0.42 0.00 -0.00 0.00 0.00 57.85 54.15 1i9t n ARG 160 Cb 0.72 -1.45 -0.01 0.00 0.00 0.00 0.00 32.46 31.71 1i9t n ARG 160 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1i9t n PRO 161 N 0.87 2.72 -0.59 -0.14 -0.04 -1.16 0.10 135.00 136.76 1i9t n PRO 161 Ca 0.23 0.97 0.06 0.00 -0.04 0.00 0.00 63.50 64.71 1i9t n PRO 161 Cb 0.59 -2.75 0.29 0.00 -0.04 0.00 0.00 33.50 31.60 1i9t n PRO 161 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1i9t n PRO 162 N 1.96 3.59 0.00 0.54 -0.04 -1.26 -5.06 135.00 134.73 1i9t n PRO 162 Ca 0.08 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1i9t n PRO 162 Cb 0.37 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1i9t n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i9t n GLY 163 N 0.67 -1.73 3.71 0.55 0.00 0.12 -4.70 105.19 103.79 1i9t n GLY 163 Ca 0.20 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1i9t n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9t s ILE 164 N 0.00 2.52 -0.08 -0.61 1.01 -1.26 -4.75 121.20 118.03 1i9t s ILE 164 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1i9t s ILE 164 Cb 0.00 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1i9t s ILE 164 CO 0.00 0.01 0.56 0.00 0.00 0.00 0.00 174.94 175.51 1i9t n TYR 165 N 4.66 0.00 -2.98 3.97 0.18 -1.26 -4.62 117.16 117.11 1i9t n TYR 165 Ca 0.16 -0.04 -0.42 0.00 1.88 0.00 0.00 57.90 59.48 1i9t n TYR 165 Cb 0.38 -0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.28 1i9t n TYR 165 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1i9t s LYS 166 N -0.12 3.93 0.43 -3.48 1.02 -1.26 -4.68 119.74 115.57 1i9t s LYS 166 Ca 0.01 0.50 0.11 0.00 0.02 0.00 0.00 55.97 56.60 1i9t s LYS 166 Cb 0.01 -3.74 0.96 0.00 -0.52 0.00 0.00 37.83 34.54 1i9t s LYS 166 CO 0.01 -0.67 2.02 0.78 -0.92 0.00 0.00 175.35 176.56 1i9t h GLY 167 N 9.42 0.56 2.00 -3.33 0.00 -1.94 -0.77 103.07 109.01 1i9t h GLY 167 Ca -0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1i9t h GLY 167 CO 0.87 0.15 -0.30 1.29 0.00 0.00 0.00 176.54 178.54 1i9t h ASP 168 N 0.46 0.00 -0.20 0.19 2.03 -1.97 -0.58 116.42 116.36 1i9t h ASP 168 Ca 0.22 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.38 1i9t h ASP 168 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1i9t h ASP 168 CO -0.06 0.30 -0.41 1.88 -1.03 0.00 0.00 179.24 179.92 1i9t h TYR 169 N 0.00 0.80 -0.67 4.15 -1.99 -1.56 -1.10 116.97 116.59 1i9t h TYR 169 Ca -0.00 -0.29 -0.04 0.00 2.00 0.00 0.00 58.73 60.39 1i9t h TYR 169 Cb 0.57 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 1i9t h TYR 169 CO 0.00 1.05 0.25 -0.07 -0.00 0.00 0.00 178.16 179.39 1i9t h LEU 170 N 0.31 0.94 -0.60 3.88 3.38 -1.12 -1.20 115.31 120.90 1i9t h LEU 170 Ca 0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1i9t h LEU 170 Cb 1.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1i9t h LEU 170 CO 0.09 0.87 0.11 0.11 0.09 0.00 0.00 178.44 179.71 1i9t h LYS 171 N 0.96 0.99 -0.29 1.13 1.57 -1.08 -2.14 116.57 117.72 1i9t h LYS 171 Ca 0.22 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1i9t h LYS 171 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1i9t h LYS 171 CO -0.02 0.93 -0.20 1.49 -0.57 0.00 0.00 179.45 181.09 1i9t h GLU 172 N 0.90 0.53 -0.44 3.15 4.57 -0.97 0.10 114.58 122.42 1i9t h GLU 172 Ca 0.18 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1i9t h GLU 172 Cb 0.41 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1i9t h GLU 172 CO 0.01 0.70 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.36 1i9t h LEU 173 N 0.47 0.78 -0.49 1.64 3.38 -0.97 -0.65 115.31 119.48 1i9t h LEU 173 Ca 0.08 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1i9t h LEU 173 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1i9t h LEU 173 CO 0.04 0.91 -0.72 -0.26 0.09 0.00 0.00 178.44 178.51 1i9t h PHE 174 N 0.72 0.33 -0.58 1.13 -1.00 -1.01 0.09 116.94 116.61 1i9t h PHE 174 Ca 0.12 -0.15 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 1i9t h PHE 174 Cb 0.59 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 1i9t h PHE 174 CO 0.03 0.88 -0.05 -0.09 -1.61 0.00 0.00 178.31 177.47 1i9t h ARG 175 N 0.16 1.06 -0.16 1.51 2.43 -0.36 0.18 114.38 119.19 1i9t h ARG 175 Ca -0.02 -0.36 -0.17 0.00 -0.81 0.00 0.00 59.98 58.61 1i9t h ARG 175 Cb 1.28 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1i9t h ARG 175 CO 0.11 1.06 -0.58 0.00 -1.51 0.00 0.00 179.97 179.05 1i9t h ARG 176 N 0.95 0.68 -0.00 0.20 3.08 -1.00 -3.40 114.38 114.88 1i9t h ARG 176 Ca 0.16 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1i9t h ARG 176 Cb 0.61 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1i9t h ARG 176 CO 0.04 1.13 -0.10 0.66 -1.07 0.00 0.00 179.97 180.64 1i9t n TYR 177 N -4.11 0.00 0.00 3.04 4.01 0.01 -5.07 117.16 115.04 1i9t n TYR 177 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1i9t n TYR 177 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1i9t n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i9t n GLY 178 N 0.74 4.54 3.15 2.72 0.00 0.60 -4.67 105.19 112.28 1i9t n GLY 178 Ca 0.01 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1i9t n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i9t s ASP 179 N 1.24 3.99 0.48 1.61 -1.08 -1.14 -4.69 116.67 117.06 1i9t s ASP 179 Ca 0.00 -0.89 0.20 0.00 -0.52 0.00 0.00 52.55 51.34 1i9t s ASP 179 Cb 0.00 -1.59 1.21 0.00 -1.46 0.00 0.00 42.92 41.08 1i9t s ASP 179 CO 0.00 -0.10 1.95 -0.29 0.52 0.00 0.00 175.17 177.26 1i9t h ILE 180 N 6.19 0.77 0.00 4.11 2.10 -1.87 -0.47 117.51 128.33 1i9t h ILE 180 Ca -0.34 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1i9t h ILE 180 Cb 1.11 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1i9t h ILE 180 CO 0.57 0.04 0.00 -0.33 -1.08 0.00 0.00 178.15 177.35 1i9t h GLU 181 N 0.22 0.00 -0.54 2.19 5.08 -1.94 -2.38 114.58 117.21 1i9t h GLU 181 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1i9t h GLU 181 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1i9t h GLU 181 CO -0.06 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.34 1i9t n GLU 182 N -3.06 2.53 -1.80 2.33 1.02 -0.19 -4.97 120.64 116.49 1i9t n GLU 182 Ca -0.01 -2.35 -0.41 0.00 -0.02 0.00 0.00 57.16 54.37 1i9t n GLU 182 Cb 0.22 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1i9t n GLU 182 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i9t s ALA 183 N -1.29 3.63 0.52 0.62 0.00 -0.90 -4.96 121.76 119.38 1i9t s ALA 183 Ca 0.43 1.57 -0.18 0.00 0.00 0.00 0.00 51.96 53.78 1i9t s ALA 183 Cb 0.23 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1i9t s ALA 183 CO 0.31 -1.02 1.01 -1.25 0.00 0.00 0.00 175.76 174.81 1i9t s PRO 184 N -1.57 3.77 0.83 0.00 0.04 -1.26 -5.00 135.00 131.81 1i9t s PRO 184 Ca 0.56 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1i9t s PRO 184 Cb -0.47 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1i9t s PRO 184 CO 0.58 -0.43 1.09 -1.25 0.04 0.00 0.00 177.00 177.03 1i9t s PRO 185 N -3.77 1.75 0.67 0.56 0.04 -1.26 -4.79 135.00 128.20 1i9t s PRO 185 Ca 0.62 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 1i9t s PRO 185 Cb -0.13 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1i9t s PRO 185 CO 0.28 -1.95 1.16 -1.25 0.04 0.00 0.00 177.00 175.29 1i9t s PRO 186 N -4.92 2.59 0.67 0.56 0.04 -1.26 -4.98 135.00 127.71 1i9t s PRO 186 Ca 0.62 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 1i9t s PRO 186 Cb -0.18 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1i9t s PRO 186 CO 0.56 -1.45 1.07 -1.25 0.04 0.00 0.00 177.00 175.97 1i9t s PRO 187 N -3.86 2.96 0.16 0.56 0.04 -1.26 -5.00 135.00 128.60 1i9t s PRO 187 Ca 0.72 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1i9t s PRO 187 Cb -0.25 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1i9t s PRO 187 CO 0.41 -1.09 1.14 0.08 0.04 0.00 0.00 177.00 177.57 1i9t s VAL 188 N -2.76 3.81 0.53 -0.36 1.01 -1.26 -5.01 120.40 116.36 1i9t s VAL 188 Ca 0.61 1.51 -0.14 0.00 0.00 0.00 0.00 61.98 63.96 1i9t s VAL 188 Cb -0.16 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1i9t s VAL 188 CO 0.48 0.24 0.97 -0.76 0.00 0.00 0.00 175.10 176.02 1i9t s LEU 189 N -0.16 3.53 0.59 3.92 1.43 -1.26 -5.01 118.68 121.73 1i9t s LEU 189 Ca 0.51 1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 1i9t s LEU 189 Cb -0.30 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1i9t s LEU 189 CO 0.35 -0.65 1.04 -2.16 0.23 0.00 0.00 176.35 175.15 1i9t s PRO 190 N -4.40 3.45 0.48 1.29 0.04 -1.26 -4.97 135.00 129.64 1i9t s PRO 190 Ca 0.57 1.07 0.19 0.00 0.04 0.00 0.00 61.00 62.86 1i9t s PRO 190 Cb -0.10 -2.06 1.20 0.00 0.04 0.00 0.00 34.50 33.58 1i9t s PRO 190 CO 0.38 -0.69 2.01 -0.44 0.04 0.00 0.00 177.00 178.30 1i9t h ASP 191 N 0.34 0.18 0.10 6.66 5.19 -2.03 -2.88 116.42 123.97 1i9t h ASP 191 Ca -0.46 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1i9t h ASP 191 Cb 1.21 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1i9t h ASP 191 CO 0.59 0.11 -0.06 4.11 -3.12 0.00 0.00 179.24 180.86 1i9t h TRP 192 N 0.20 0.00 -1.00 4.55 5.08 -1.97 -3.09 115.95 119.73 1i9t h TRP 192 Ca 0.23 0.00 0.23 0.00 1.08 0.00 0.00 58.89 60.43 1i9t h TRP 192 Cb 0.66 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.73 1i9t h TRP 192 CO -0.00 0.06 0.63 0.00 -1.28 0.00 0.00 178.44 177.85