#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p n ALA 2 N 0.00 3.20 -3.84 -5.12 0.00 -1.26 -4.94 120.51 108.55 1r9p n ALA 2 Ca 0.00 -3.24 -0.29 0.00 0.00 0.00 0.00 53.44 49.91 1r9p n ALA 2 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1r9p n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p n TYR 3 N -0.01 -1.51 -4.01 0.00 4.01 -1.26 -4.86 117.16 109.52 1r9p n TYR 3 Ca 0.13 0.50 -0.09 0.00 -0.16 0.00 0.00 57.90 58.28 1r9p n TYR 3 Cb 0.78 -1.91 -0.06 0.00 -0.31 0.00 0.00 39.34 37.84 1r9p n TYR 3 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1r9p s SER 4 N -2.87 -0.06 -0.62 7.72 0.15 -1.26 -5.10 113.70 111.66 1r9p s SER 4 Ca 0.56 -0.97 -0.23 0.00 0.70 0.00 0.00 55.95 56.01 1r9p s SER 4 Cb -0.32 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1r9p s SER 4 CO 0.69 -1.09 0.96 -1.61 1.20 0.00 0.00 173.24 173.39 1r9p s GLU 5 N -4.03 3.20 0.53 5.44 8.01 -1.26 -4.98 118.70 125.60 1r9p s GLU 5 Ca 0.24 -0.59 -0.17 0.00 0.01 0.00 0.00 54.97 54.46 1r9p s GLU 5 Cb 0.01 -4.15 -0.07 0.00 -4.31 0.00 0.00 34.13 25.60 1r9p s GLU 5 CO 0.09 -1.69 1.00 -1.59 0.01 0.00 0.00 175.26 173.08 1r9p s LYS 6 N 4.05 3.81 0.20 1.61 -2.85 -1.26 -5.07 119.74 120.23 1r9p s LYS 6 Ca 0.26 1.04 -0.18 0.00 -1.00 0.00 0.00 55.97 56.08 1r9p s LYS 6 Cb -0.15 -2.11 0.03 0.00 -2.06 0.00 0.00 37.83 33.54 1r9p s LYS 6 CO 0.14 -0.40 0.55 0.54 0.10 0.00 0.00 175.35 176.28 1r9p s VAL 7 N -2.53 0.02 -0.41 1.79 0.11 -1.26 -5.10 120.40 113.02 1r9p s VAL 7 Ca 0.61 -0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 58.62 1r9p s VAL 7 Cb -0.12 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 1r9p s VAL 7 CO 0.31 -0.09 1.53 -0.63 -3.33 0.00 0.00 175.10 172.89 1r9p s ILE 8 N -3.87 3.76 -0.91 7.04 1.01 -1.26 -4.94 121.20 122.03 1r9p s ILE 8 Ca 0.09 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 1r9p s ILE 8 Cb -0.01 -4.06 0.23 0.00 0.01 0.00 0.00 42.46 38.63 1r9p s ILE 8 CO -0.02 -0.70 0.85 1.51 0.00 0.00 0.00 174.94 176.57 1r9p s ASP 9 N 4.70 6.59 -0.20 3.58 -4.77 -1.26 -5.03 116.67 120.27 1r9p s ASP 9 Ca 0.66 -3.25 -0.21 0.00 -3.30 0.00 0.00 52.55 46.45 1r9p s ASP 9 Cb -0.16 -2.10 -0.02 0.00 -1.09 0.00 0.00 42.92 39.55 1r9p s ASP 9 CO 0.32 -0.36 0.65 -1.00 0.70 0.00 0.00 175.17 175.48 1r9p s HIS 10 N -0.69 3.36 -2.09 2.11 3.76 -1.26 -4.91 115.29 115.57 1r9p s HIS 10 Ca 0.24 0.94 0.21 0.00 -0.15 0.00 0.00 55.06 56.31 1r9p s HIS 10 Cb -0.11 -2.83 1.14 0.00 1.11 0.00 0.00 32.58 31.89 1r9p s HIS 10 CO -0.09 -0.21 1.75 0.66 -0.85 0.00 0.00 174.74 176.01 1r9p n TYR 11 N 5.18 0.05 -1.35 1.40 4.01 -1.26 -4.89 117.16 120.29 1r9p n TYR 11 Ca -0.01 -0.02 -0.58 0.00 -0.16 0.00 0.00 57.90 57.13 1r9p n TYR 11 Cb 0.49 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.42 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r9p n GLU 12 N -0.52 0.00 -3.07 -0.72 -0.58 -1.26 -4.83 120.64 109.65 1r9p n GLU 12 Ca 0.16 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.71 1r9p n GLU 12 Cb 0.14 -1.38 -0.04 0.00 -0.57 0.00 0.00 31.44 29.60 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1r9p n ASN 13 N 5.44 -0.91 -4.28 1.62 4.13 -1.26 -5.14 115.26 114.87 1r9p n ASN 13 Ca 0.41 -2.83 -0.35 0.00 1.68 0.00 0.00 54.58 53.48 1r9p n ASN 13 Cb -0.04 0.15 0.07 0.00 -1.54 0.00 0.00 39.78 38.42 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1r9p n PRO 14 N 1.70 -0.03 0.00 3.52 -0.02 -1.26 -5.01 135.00 133.90 1r9p n PRO 14 Ca 0.19 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1r9p n PRO 14 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1r9p n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r9p n ARG 15 N 0.19 0.00 -0.58 -0.52 1.74 -1.26 -4.97 116.66 111.26 1r9p n ARG 15 Ca 0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 1r9p n ARG 15 Cb 0.53 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.95 1r9p n ARG 15 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1r9p n ASN 16 N 0.00 3.83 -4.55 0.55 3.02 -1.26 -4.79 115.26 112.05 1r9p n ASN 16 Ca 0.00 -2.22 -0.41 0.00 -0.03 0.00 0.00 54.58 51.92 1r9p n ASN 16 Cb 0.00 -0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 1r9p n ASN 16 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1r9p s VAL 17 N 3.50 3.95 1.36 2.41 -7.23 -1.26 -4.99 120.40 118.13 1r9p s VAL 17 Ca 0.32 -0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 59.56 1r9p s VAL 17 Cb 0.09 -5.03 0.34 0.00 0.56 0.00 0.00 36.38 32.34 1r9p s VAL 17 CO -0.02 -1.91 1.00 -0.83 -0.31 0.00 0.00 175.10 173.03 1r9p s GLY 18 N 4.81 1.48 0.00 2.32 0.00 -1.26 -4.99 107.32 109.68 1r9p s GLY 18 Ca 0.44 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1r9p s GLY 18 CO -0.08 0.06 0.00 1.44 0.00 0.00 0.00 173.10 174.52 1r9p n SER 19 N -5.35 -0.34 0.00 1.64 7.64 -1.26 -5.03 113.62 110.92 1r9p n SER 19 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1r9p n SER 19 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1r9p n SER 19 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r9p n LEU 20 N 0.00 0.00 -0.94 -3.43 4.77 -1.26 -4.91 117.00 111.22 1r9p n LEU 20 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1r9p n LEU 20 Cb 0.00 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1r9p n LEU 20 CO 0.00 -0.27 0.69 0.47 -1.33 0.00 0.00 177.39 176.95 1r9p n ASP 21 N -1.82 3.16 -0.34 -1.43 8.00 -1.26 -4.91 116.55 117.95 1r9p n ASP 21 Ca 0.00 -3.35 -0.01 0.00 0.71 0.00 0.00 54.79 52.14 1r9p n ASP 21 Cb 0.00 -0.58 -0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1r9p n LYS 22 N -0.86 -1.71 -0.35 -1.24 4.81 -1.26 -4.25 118.16 113.30 1r9p n LYS 22 Ca 0.26 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1r9p n LYS 22 Cb 0.94 -3.33 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1r9p n LYS 23 N -0.27 0.00 -2.44 1.64 5.02 -1.26 -5.07 118.16 115.78 1r9p n LYS 23 Ca -0.01 -0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 55.50 1r9p n LYS 23 Cb 0.09 -0.27 -0.04 0.00 -0.02 0.00 0.00 35.03 34.80 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9p s ASP 24 N -0.37 6.63 0.00 4.39 1.11 -1.26 -4.93 116.67 122.24 1r9p s ASP 24 Ca 0.00 1.60 0.23 0.00 0.18 0.00 0.00 52.55 54.56 1r9p s ASP 24 Cb 0.00 -2.51 1.10 0.00 1.07 0.00 0.00 42.92 42.57 1r9p s ASP 24 CO 0.00 -0.58 1.76 -1.54 1.18 0.00 0.00 175.17 175.99 1r9p n SER 25 N -1.47 0.00 -1.06 0.27 3.41 -1.26 -2.48 113.62 111.02 1r9p n SER 25 Ca 0.07 0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1r9p n SER 25 Cb 0.54 -0.38 0.26 0.00 -0.26 0.00 0.00 64.21 64.37 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r9p n ASN 26 N -1.38 3.09 -3.59 4.04 3.02 -1.26 -4.77 115.26 114.41 1r9p n ASN 26 Ca 0.09 -1.97 -0.25 0.00 -0.03 0.00 0.00 54.58 52.42 1r9p n ASN 26 Cb 0.22 -0.35 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r9p s VAL 27 N -1.30 -0.13 0.11 2.41 1.01 -1.04 -2.33 120.40 119.13 1r9p s VAL 27 Ca 0.39 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1r9p s VAL 27 Cb 0.21 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1r9p s VAL 27 CO 0.28 -0.26 0.19 -0.83 0.00 0.00 0.00 175.10 174.48 1r9p s GLY 28 N 2.17 1.93 0.18 4.51 0.00 -0.81 -4.59 107.32 110.71 1r9p s GLY 28 Ca 0.03 -0.99 0.10 0.00 0.00 0.00 0.00 44.72 43.85 1r9p s GLY 28 CO -0.09 -0.99 -0.21 -1.59 0.00 0.00 0.00 173.10 170.22 1r9p s THR 29 N -1.60 2.06 -0.11 0.90 2.01 -1.26 -2.19 115.64 115.46 1r9p s THR 29 Ca 0.33 -1.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 1r9p s THR 29 Cb -0.12 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 70.48 1r9p s THR 29 CO 0.26 -0.21 0.26 -0.83 -0.69 0.00 0.00 174.62 173.41 1r9p s GLY 30 N -2.63 -0.16 -0.04 4.40 0.00 -0.67 -3.81 107.32 104.40 1r9p s GLY 30 Ca 0.18 1.05 0.04 0.00 0.00 0.00 0.00 44.72 45.98 1r9p s GLY 30 CO 0.08 1.29 -0.16 -0.29 0.00 0.00 0.00 173.10 174.03 1r9p s MET 31 N 1.27 1.63 -0.09 2.90 1.75 -1.26 -1.26 119.30 124.25 1r9p s MET 31 Ca -0.09 -0.56 -0.21 0.00 -1.25 0.00 0.00 55.69 53.58 1r9p s MET 31 Cb -0.10 -1.43 0.05 0.00 2.84 0.00 0.00 34.83 36.18 1r9p s MET 31 CO -0.09 0.22 0.51 0.14 -0.65 0.00 0.00 175.02 175.15 1r9p s VAL 32 N 0.06 0.02 0.25 10.11 -7.23 -0.91 -5.02 120.40 117.67 1r9p s VAL 32 Ca -0.03 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1r9p s VAL 32 Cb -0.11 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 1r9p s VAL 32 CO 0.02 -0.09 0.15 -0.83 -0.31 0.00 0.00 175.10 174.04 1r9p s GLY 33 N -0.74 1.76 -0.03 2.32 0.00 -1.26 -1.18 107.32 108.20 1r9p s GLY 33 Ca -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.83 1r9p s GLY 33 CO 0.05 -1.49 0.07 0.00 0.00 0.00 0.00 173.10 171.72 1r9p s ALA 34 N -3.86 -0.15 -0.09 3.20 0.00 -0.55 -4.99 121.76 115.33 1r9p s ALA 34 Ca 0.38 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 1r9p s ALA 34 Cb 0.06 -0.14 -0.21 0.00 0.00 0.00 0.00 23.12 22.84 1r9p s ALA 34 CO 0.16 -0.04 0.88 -1.00 0.00 0.00 0.00 175.76 175.76 1r9p h PRO 35 N 6.20 -0.05 -0.97 0.00 0.13 -1.95 0.16 132.00 135.52 1r9p h PRO 35 Ca -0.27 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.13 1r9p h PRO 35 Cb 1.20 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1r9p h PRO 35 CO 0.47 0.63 0.51 0.00 -0.23 0.00 0.00 178.00 179.37 1r9p h ALA 36 N 0.02 1.74 -0.03 -0.56 0.00 -1.97 0.73 119.26 119.18 1r9p h ALA 36 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 36 Cb 0.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r9p h ALA 36 CO 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 179.25 178.82 1r9p n GLY 38 N 1.31 -0.17 3.17 0.00 0.00 0.25 -4.71 105.19 105.04 1r9p n GLY 38 Ca 0.13 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 1r9p n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r9p s ASP 39 N -4.10 1.72 -0.27 1.61 2.15 -0.85 -4.94 116.67 111.98 1r9p s ASP 39 Ca 0.16 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 52.60 1r9p s ASP 39 Cb -0.09 -0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.50 1r9p s ASP 39 CO 0.97 -0.03 -0.07 0.68 -0.17 0.00 0.00 175.17 176.55 1r9p s VAL 40 N -1.10 2.51 -0.07 1.11 -7.23 -1.26 -1.49 120.40 112.87 1r9p s VAL 40 Ca -0.00 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1r9p s VAL 40 Cb -0.09 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1r9p s VAL 40 CO 0.02 -0.03 0.07 -0.32 -0.31 0.00 0.00 175.10 174.53 1r9p s MET 41 N 1.17 3.15 -0.09 4.82 1.75 -0.33 -4.63 119.30 125.14 1r9p s MET 41 Ca -0.07 -0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.06 1r9p s MET 41 Cb -0.20 -2.93 0.01 0.00 2.84 0.00 0.00 34.83 34.55 1r9p s MET 41 CO -0.04 0.71 -0.20 -0.65 -0.65 0.00 0.00 175.02 174.20 1r9p s GLN 42 N -1.17 2.57 -0.10 4.11 -0.21 -0.85 -2.15 119.66 121.86 1r9p s GLN 42 Ca 0.16 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.85 1r9p s GLN 42 Cb -0.12 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 31.92 1r9p s GLN 42 CO 0.06 0.11 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.04 1r9p s LEU 43 N 0.49 1.64 0.29 2.90 2.96 -0.39 -2.13 118.68 124.43 1r9p s LEU 43 Ca -0.17 -0.39 0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1r9p s LEU 43 Cb -0.17 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 1r9p s LEU 43 CO 0.07 -0.00 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.83 1r9p s GLN 44 N 1.04 1.66 0.03 1.98 -0.21 -1.00 -1.67 119.66 121.49 1r9p s GLN 44 Ca -0.06 -1.79 0.04 0.00 0.02 0.00 0.00 55.36 53.57 1r9p s GLN 44 Cb -0.15 -1.65 -0.02 0.00 1.00 0.00 0.00 33.01 32.19 1r9p s GLN 44 CO -0.02 0.26 -0.11 0.96 -2.12 0.00 0.00 175.29 174.26 1r9p s ILE 45 N -2.61 0.87 -0.15 1.08 -4.36 -0.93 -3.05 121.20 112.05 1r9p s ILE 45 Ca 0.30 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 1r9p s ILE 45 Cb -0.03 -0.81 0.01 0.00 1.25 0.00 0.00 42.46 42.89 1r9p s ILE 45 CO 0.14 -0.05 -0.21 -0.75 0.24 0.00 0.00 174.94 174.32 1r9p s LYS 46 N -1.02 3.03 -0.09 0.37 2.20 0.06 -1.93 119.74 122.36 1r9p s LYS 46 Ca -0.01 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1r9p s LYS 46 Cb -0.07 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 1r9p s LYS 46 CO 0.01 -0.06 -0.13 0.08 -0.36 0.00 0.00 175.35 174.89 1r9p s VAL 47 N 0.94 3.12 0.00 4.02 1.01 -0.99 -1.45 120.40 127.06 1r9p s VAL 47 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1r9p s VAL 47 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1r9p s VAL 47 CO -0.05 0.56 0.00 0.47 0.00 0.00 0.00 175.10 176.08 1r9p n ASP 48 N 2.91 0.00 -2.20 3.32 8.00 -0.88 -4.76 116.55 122.94 1r9p n ASP 48 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 1r9p n ASP 48 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r9p n ASP 49 N -0.31 0.78 -0.75 -2.24 8.00 -1.22 -4.07 116.55 116.74 1r9p n ASP 49 Ca 0.00 -1.45 -0.01 0.00 0.71 0.00 0.00 54.79 54.04 1r9p n ASP 49 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r9p n ASN 50 N 2.48 -2.20 0.00 -2.24 3.02 -1.26 -3.52 115.26 111.54 1r9p n ASN 50 Ca 0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1r9p n ASN 50 Cb 0.11 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9p n GLY 51 N -0.66 0.75 3.98 7.41 0.00 -1.26 -5.05 105.19 110.37 1r9p n GLY 51 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -2.63 3.99 -1.05 -0.61 -1.09 -1.23 -4.71 121.20 113.87 1r9p s ILE 52 Ca 0.00 -1.03 -0.22 0.00 -2.23 0.00 0.00 60.65 57.16 1r9p s ILE 52 Cb 0.00 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1r9p s ILE 52 CO 0.00 -0.15 1.54 -0.63 -1.23 0.00 0.00 174.94 174.46 1r9p s ILE 53 N -2.19 3.90 0.10 2.92 1.01 -0.78 -2.07 121.20 124.08 1r9p s ILE 53 Ca 0.45 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 1r9p s ILE 53 Cb -0.09 -4.99 -0.12 0.00 0.01 0.00 0.00 42.46 37.27 1r9p s ILE 53 CO 0.31 -1.86 1.65 -0.08 0.00 0.00 0.00 174.94 174.96 1r9p h GLU 54 N 9.61 -0.48 -3.92 2.79 4.81 -1.58 0.73 114.58 126.54 1r9p h GLU 54 Ca 0.23 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1r9p h GLU 54 Cb 0.99 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1r9p h GLU 54 CO 1.41 -0.32 -0.37 0.34 -0.73 0.00 0.00 179.01 179.34 1r9p s ASP 55 N -4.77 0.09 -0.03 1.04 -1.08 -1.20 -4.37 116.67 106.36 1r9p s ASP 55 Ca -0.16 -0.84 -0.06 0.00 -0.52 0.00 0.00 52.55 50.97 1r9p s ASP 55 Cb 0.06 0.39 0.01 0.00 -1.46 0.00 0.00 42.92 41.92 1r9p s ASP 55 CO 0.64 -0.83 0.13 0.00 0.52 0.00 0.00 175.17 175.64 1r9p s ALA 56 N -3.95 -0.32 0.41 3.66 0.00 -1.26 -0.76 121.76 119.54 1r9p s ALA 56 Ca 0.14 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1r9p s ALA 56 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1r9p s ALA 56 CO -0.03 -0.14 0.16 0.21 0.00 0.00 0.00 175.76 175.97 1r9p s LYS 57 N -0.65 2.21 0.01 0.00 2.20 -1.17 -4.99 119.74 117.35 1r9p s LYS 57 Ca -0.07 -1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 53.41 1r9p s LYS 57 Cb -0.04 -1.97 0.10 0.00 -1.51 0.00 0.00 37.83 34.40 1r9p s LYS 57 CO 0.01 -0.09 0.96 -0.59 -0.36 0.00 0.00 175.35 175.28 1r9p s PHE 58 N -2.59 -0.26 -0.30 4.03 -0.71 -1.26 -2.38 117.98 114.51 1r9p s PHE 58 Ca 0.40 0.09 -0.11 0.00 -1.04 0.00 0.00 56.93 56.28 1r9p s PHE 58 Cb 0.04 0.56 0.14 0.00 -1.21 0.00 0.00 43.02 42.55 1r9p s PHE 58 CO 0.22 -0.57 0.73 0.21 -1.34 0.00 0.00 175.22 174.48 1r9p s LYS 59 N -3.05 0.50 -0.29 1.99 2.20 -0.90 -5.01 119.74 115.18 1r9p s LYS 59 Ca 0.08 1.24 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 1r9p s LYS 59 Cb -0.01 0.75 0.11 0.00 -1.51 0.00 0.00 37.83 37.17 1r9p s LYS 59 CO -0.06 -0.20 0.70 -0.08 -0.36 0.00 0.00 175.35 175.36 1r9p s THR 60 N 2.79 -0.49 -0.31 3.43 -1.32 -1.26 -2.00 115.64 116.48 1r9p s THR 60 Ca -0.04 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1r9p s THR 60 Cb -0.11 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.03 1r9p s THR 60 CO -0.19 0.00 0.34 -0.31 -2.21 0.00 0.00 174.62 172.25 1r9p s TYR 61 N 2.25 -0.53 0.00 9.09 2.02 -1.26 -4.86 117.35 124.05 1r9p s TYR 61 Ca -0.08 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1r9p s TYR 61 Cb -0.08 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1r9p s TYR 61 CO -0.19 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.25 1r9p n GLY 62 N 5.05 0.00 3.01 0.71 0.00 -1.26 -4.94 105.19 107.76 1r9p n GLY 62 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n GLY 64 N -1.15 0.57 0.00 0.00 0.00 -1.26 -4.76 105.19 98.60 1r9p n GLY 64 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1r9p n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r9p n SER 65 N -1.13 0.09 0.00 1.61 7.64 -1.26 -4.84 113.62 115.74 1r9p n SER 65 Ca 0.00 -0.70 -0.21 0.00 1.01 0.00 0.00 58.87 58.97 1r9p n SER 65 Cb 0.00 0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r9p h ALA 66 N 0.00 0.16 -1.43 -0.43 0.00 -1.95 -3.29 119.26 112.32 1r9p h ALA 66 Ca 0.00 -1.05 0.41 0.00 0.00 0.00 0.00 54.91 54.27 1r9p h ALA 66 Cb 0.29 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1r9p h ALA 66 CO 0.00 0.77 1.03 1.51 0.00 0.00 0.00 179.25 182.56 1r9p n ILE 67 N -3.99 0.00 -0.02 0.00 0.13 -1.26 0.18 119.36 114.40 1r9p n ILE 67 Ca -0.24 1.07 -0.21 0.00 -1.10 0.00 0.00 62.75 62.27 1r9p n ILE 67 Cb 0.87 -1.79 -0.13 0.00 -0.84 0.00 0.00 39.64 37.74 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1r9p n ALA 68 N -2.66 0.93 0.13 1.51 0.00 -1.25 -4.10 120.51 115.07 1r9p n ALA 68 Ca 0.32 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1r9p n ALA 68 Cb 1.46 -0.59 0.25 0.00 0.00 0.00 0.00 19.45 20.57 1r9p n ALA 68 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1r9p h SER 69 N -0.10 0.13 -0.96 0.00 0.02 0.18 -2.65 113.55 110.18 1r9p h SER 69 Ca -0.44 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1r9p h SER 69 Cb 1.92 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.36 1r9p h SER 69 CO 0.02 0.56 0.62 0.28 -1.14 0.00 0.00 176.83 177.17 1r9p h SER 70 N 0.11 1.01 -0.09 3.07 0.02 -0.46 -1.02 113.55 116.20 1r9p h SER 70 Ca 0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 1r9p h SER 70 Cb 0.82 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.16 1r9p h SER 70 CO 0.06 0.67 -0.74 0.77 -1.14 0.00 0.00 176.83 176.45 1r9p h SER 71 N 1.16 0.80 0.55 3.07 4.64 -1.66 -2.53 113.55 119.58 1r9p h SER 71 Ca 0.40 -0.67 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1r9p h SER 71 Cb 0.09 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1r9p h SER 71 CO -0.15 1.35 -0.47 0.25 -0.87 0.00 0.00 176.83 176.95 1r9p h LEU 72 N 0.31 -1.25 0.33 5.97 5.85 -1.07 -0.42 115.31 125.03 1r9p h LEU 72 Ca -0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1r9p h LEU 72 Cb 1.39 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1r9p h LEU 72 CO 0.15 -0.65 -0.32 -0.29 -0.34 0.00 0.00 178.44 176.99 1r9p h ILE 73 N -1.00 0.00 -0.88 4.05 2.10 -1.30 0.11 117.51 120.59 1r9p h ILE 73 Ca -0.06 0.00 0.26 0.00 1.08 0.00 0.00 64.86 66.13 1r9p h ILE 73 Cb 0.85 0.00 -0.04 0.00 -1.09 0.00 0.00 36.82 36.55 1r9p h ILE 73 CO -0.02 0.00 1.03 0.71 -1.08 0.00 0.00 178.15 178.79 1r9p h THR 74 N -0.64 0.09 0.00 2.19 1.35 -1.41 3.90 112.91 118.39 1r9p h THR 74 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1r9p h THR 74 Cb 0.55 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1r9p h THR 74 CO -0.03 0.00 -0.77 -0.62 -0.25 0.00 0.00 175.52 173.85 1r9p n GLU 75 N -3.35 0.18 -0.00 4.72 1.02 0.10 -3.92 120.64 119.39 1r9p n GLU 75 Ca 0.19 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 1r9p n GLU 75 Cb 1.31 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 31.02 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1r9p n TRP 76 N -1.82 0.00 -1.58 -0.32 7.02 1.27 -4.32 117.44 117.68 1r9p n TRP 76 Ca 0.03 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.34 1r9p n TRP 76 Cb 0.40 -0.15 0.12 0.00 -2.42 0.00 0.00 31.31 29.26 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -1.71 2.81 -3.94 -0.99 0.24 0.07 -4.67 118.33 110.14 1r9p n VAL 77 Ca 0.01 -3.16 -0.30 0.00 -2.04 0.00 0.00 64.34 58.86 1r9p n VAL 77 Cb 0.38 -0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 31.89 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r9p s LYS 78 N -3.47 1.98 0.00 7.34 2.20 -1.26 -4.59 119.74 121.94 1r9p s LYS 78 Ca 0.51 -2.64 0.00 0.00 -0.36 0.00 0.00 55.97 53.48 1r9p s LYS 78 Cb 0.43 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1r9p s LYS 78 CO 0.01 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 1r9p n GLY 79 N 3.07 1.00 1.87 5.54 0.00 0.25 -5.01 105.19 111.90 1r9p n GLY 79 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1r9p n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9p n LYS 80 N -0.60 0.22 -4.06 1.61 5.02 -1.26 -4.68 118.16 114.40 1r9p n LYS 80 Ca 0.00 -1.29 -0.27 0.00 -2.02 0.00 0.00 58.31 54.73 1r9p n LYS 80 Cb 0.00 -0.34 -0.05 0.00 -0.02 0.00 0.00 35.03 34.62 1r9p n LYS 80 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1r9p s SER 81 N -2.98 5.60 0.46 4.39 1.04 -1.26 -1.87 113.70 119.08 1r9p s SER 81 Ca 0.32 -0.08 0.31 0.00 0.48 0.00 0.00 55.95 56.98 1r9p s SER 81 Cb -0.02 -1.49 1.57 0.00 0.10 0.00 0.00 66.02 66.18 1r9p s SER 81 CO 0.21 0.08 1.95 -0.07 0.98 0.00 0.00 173.24 176.40 1r9p h LEU 82 N 2.52 0.00 -0.37 2.42 3.38 -1.96 -2.12 115.31 119.18 1r9p h LEU 82 Ca -0.48 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1r9p h LEU 82 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1r9p h LEU 82 CO 0.64 0.00 -0.33 -0.08 0.09 0.00 0.00 178.44 178.77 1r9p h GLU 83 N 0.00 0.87 0.02 1.13 4.57 -1.93 -1.92 114.58 117.32 1r9p h GLU 83 Ca 0.00 -0.45 -0.27 0.00 -1.18 0.00 0.00 59.36 57.46 1r9p h GLU 83 Cb 0.15 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1r9p h GLU 83 CO 0.00 1.09 -1.08 0.93 -1.18 0.00 0.00 179.01 178.77 1r9p h GLU 84 N 0.67 0.68 -0.62 1.92 5.08 -1.80 -3.22 114.58 117.30 1r9p h GLU 84 Ca 0.06 -0.76 -0.02 0.00 -1.00 0.00 0.00 59.36 57.65 1r9p h GLU 84 Cb 0.91 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1r9p h GLU 84 CO 0.08 1.33 0.30 0.00 -1.00 0.00 0.00 179.01 179.73 1r9p h ALA 85 N 0.40 1.38 -0.45 3.43 0.00 -1.49 -2.53 119.26 120.00 1r9p h ALA 85 Ca -0.14 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.08 1r9p h ALA 85 Cb 1.73 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 1r9p h ALA 85 CO 0.21 0.49 1.42 0.41 0.00 0.00 0.00 179.25 181.78 1r9p n GLY 86 N -1.17 4.49 0.00 0.00 0.00 -0.73 -3.78 105.19 104.01 1r9p n GLY 86 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1r9p n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n ALA 87 N 1.68 0.00 -0.49 4.61 0.00 -1.09 -4.93 120.51 120.29 1r9p n ALA 87 Ca 0.56 0.00 0.43 0.00 0.00 0.00 0.00 53.44 54.43 1r9p n ALA 87 Cb 0.45 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.62 1r9p n ALA 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1r9p h ILE 88 N 0.00 0.10 -2.88 0.00 3.07 -1.55 -3.46 117.51 112.79 1r9p h ILE 88 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1r9p h ILE 88 Cb 0.00 0.12 0.00 0.00 -0.27 0.00 0.00 36.82 36.67 1r9p h ILE 88 CO 0.00 0.00 -0.73 1.17 -1.05 0.00 0.00 178.15 177.54 1r9p n LYS 89 N -3.82 -3.37 0.00 0.16 4.81 -1.26 -3.84 118.16 110.83 1r9p n LYS 89 Ca 0.34 2.56 0.09 0.00 -0.87 0.00 0.00 58.31 60.43 1r9p n LYS 89 Cb 1.70 -3.04 0.42 0.00 0.02 0.00 0.00 35.03 34.14 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1r9p n ASN 90 N -1.63 0.00 0.12 3.14 6.94 -1.26 -2.53 115.26 120.04 1r9p n ASN 90 Ca 0.00 0.14 -0.03 0.00 -0.02 0.00 0.00 54.58 54.68 1r9p n ASN 90 Cb 0.18 -0.33 0.12 0.00 -2.36 0.00 0.00 39.78 37.39 1r9p n ASN 90 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1r9p h SER 91 N 0.00 0.03 -0.57 0.53 4.64 -1.92 -1.12 113.55 115.14 1r9p h SER 91 Ca 0.00 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1r9p h SER 91 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1r9p h SER 91 CO 0.00 0.71 0.04 -0.61 -0.87 0.00 0.00 176.83 176.10 1r9p h GLN 92 N 0.02 1.01 0.09 4.77 4.15 -1.59 -2.42 115.11 121.13 1r9p h GLN 92 Ca -0.01 -0.29 -0.27 0.00 0.77 0.00 0.00 58.65 58.86 1r9p h GLN 92 Cb 1.21 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1r9p h GLN 92 CO 0.09 0.96 -1.26 0.82 -1.93 0.00 0.00 178.83 177.52 1r9p h ILE 93 N 0.94 1.46 -0.48 2.39 2.04 -1.70 -2.70 117.51 119.46 1r9p h ILE 93 Ca 0.18 -3.09 0.02 0.00 1.00 0.00 0.00 64.86 62.97 1r9p h ILE 93 Cb 0.48 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 1r9p h ILE 93 CO 0.02 0.88 0.32 0.00 0.00 0.00 0.00 178.15 179.37 1r9p h ALA 94 N 0.68 1.74 0.09 1.87 0.00 -1.03 -2.01 119.26 120.59 1r9p h ALA 94 Ca -0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1r9p h ALA 94 Cb 1.93 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.57 1r9p h ALA 94 CO 0.17 0.22 -0.73 1.49 0.00 0.00 0.00 179.25 180.40 1r9p h GLU 95 N 0.57 0.19 -1.01 0.00 4.81 -1.48 1.02 114.58 118.69 1r9p h GLU 95 Ca 0.19 -0.33 0.24 0.00 -0.13 0.00 0.00 59.36 59.33 1r9p h GLU 95 Cb 0.04 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.45 1r9p h GLU 95 CO -0.05 1.16 0.64 1.49 -0.73 0.00 0.00 179.01 181.53 1r9p h GLU 96 N -0.56 0.45 0.00 1.92 4.57 -1.18 -1.98 114.58 117.80 1r9p h GLU 96 Ca -0.15 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.77 1r9p h GLU 96 Cb 1.47 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.92 1r9p h GLU 96 CO 0.07 0.30 -2.08 1.28 -1.18 0.00 0.00 179.01 177.40 1r9p n LEU 97 N -4.65 0.00 -2.70 1.64 4.32 -0.78 -5.05 117.00 109.77 1r9p n LEU 97 Ca 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 1r9p n LEU 97 Cb 0.79 0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.92 1r9p n LEU 97 CO 0.25 0.33 0.18 1.21 -1.22 0.00 0.00 177.39 178.13 1r9p n GLU 98 N -2.52 -1.48 -3.68 3.23 2.13 0.35 -5.02 120.64 113.66 1r9p n GLU 98 Ca -0.22 1.56 -0.22 0.00 0.66 0.00 0.00 57.16 58.93 1r9p n GLU 98 Cb 0.92 -4.98 -0.02 0.00 0.27 0.00 0.00 31.44 27.64 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1r9p s LEU 99 N -3.05 4.17 0.71 4.31 2.34 -1.15 -5.03 118.68 120.99 1r9p s LEU 99 Ca 0.09 0.26 -0.11 0.00 0.06 0.00 0.00 54.13 54.43 1r9p s LEU 99 Cb -0.03 -3.08 0.02 0.00 -0.56 0.00 0.00 46.19 42.54 1r9p s LEU 99 CO 0.62 -0.18 1.07 -2.16 -1.06 0.00 0.00 176.35 174.64 1r9p s PRO 100 N -4.14 2.77 0.21 1.48 0.04 -1.26 -4.96 135.00 129.14 1r9p s PRO 100 Ca 0.37 0.98 0.25 0.00 0.04 0.00 0.00 61.00 62.64 1r9p s PRO 100 Cb -0.09 -1.97 0.89 0.00 0.04 0.00 0.00 34.50 33.37 1r9p s PRO 100 CO 0.32 -1.23 1.75 -0.35 0.04 0.00 0.00 177.00 177.54 1r9p n PRO 101 N -3.22 0.22 0.00 0.56 -0.04 -1.26 -3.01 135.00 128.24 1r9p n PRO 101 Ca 0.08 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1r9p n PRO 101 Cb 0.54 -1.80 0.76 0.00 -0.04 0.00 0.00 33.50 32.95 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -2.19 0.06 -2.63 0.52 0.31 -1.26 -3.48 118.33 109.66 1r9p n VAL 102 Ca 0.04 0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1r9p n VAL 102 Cb 0.35 -0.59 0.05 0.00 -0.91 0.00 0.00 33.84 32.74 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N -1.10 1.07 -0.19 5.55 5.02 -1.17 -4.91 118.16 122.44 1r9p n LYS 103 Ca 0.18 -2.36 0.20 0.00 -2.02 0.00 0.00 58.31 54.32 1r9p n LYS 103 Cb 0.13 -0.54 0.57 0.00 -0.02 0.00 0.00 35.03 35.17 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p h VAL 104 N 5.46 0.68 -0.80 -0.18 2.07 -1.61 -2.42 116.25 119.45 1r9p h VAL 104 Ca -0.28 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1r9p h VAL 104 Cb 1.43 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 1r9p h VAL 104 CO 0.02 0.05 -0.43 0.00 0.02 0.00 0.00 177.57 177.24 1r9p n HIS 105 N -4.45 -0.25 -0.20 1.57 1.44 -1.26 -0.49 115.22 111.59 1r9p n HIS 105 Ca 0.17 1.00 -0.05 0.00 -2.01 0.00 0.00 57.72 56.83 1r9p n HIS 105 Cb 0.71 -0.63 -0.05 0.00 0.12 0.00 0.00 29.99 30.15 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r9p h SER 107 N 0.00 0.55 0.56 0.00 0.02 -1.00 -2.61 113.55 111.07 1r9p h SER 107 Ca 0.08 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1r9p h SER 107 Cb 0.19 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1r9p h SER 107 CO -0.44 0.35 -0.32 0.40 -1.14 0.00 0.00 176.83 175.68 1r9p h ILE 108 N 0.68 0.00 -0.95 3.27 2.04 0.24 -2.29 117.51 120.50 1r9p h ILE 108 Ca 0.30 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.52 1r9p h ILE 108 Cb 0.19 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.09 1r9p h ILE 108 CO -0.18 0.00 0.37 0.18 0.00 0.00 0.00 178.15 178.52 1r9p n LEU 109 N -4.38 0.20 0.38 1.44 4.32 0.77 0.16 117.00 119.91 1r9p n LEU 109 Ca -0.10 1.60 -0.18 0.00 -0.02 0.00 0.00 56.01 57.30 1r9p n LEU 109 Cb 0.33 -0.72 -0.09 0.00 -1.62 0.00 0.00 43.42 41.33 1r9p n LEU 109 CO 0.24 -1.74 0.64 0.00 -1.22 0.00 0.00 177.39 175.31 1r9p h ALA 110 N 1.91 -0.95 0.08 -1.18 0.00 -1.04 0.18 119.26 118.26 1r9p h ALA 110 Ca 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1r9p h ALA 110 Cb 1.87 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1r9p h ALA 110 CO -0.78 -1.03 -0.04 1.49 0.00 0.00 0.00 179.25 178.89 1r9p h GLU 111 N -0.95 -0.10 -1.44 0.00 4.22 0.22 -2.67 114.58 113.86 1r9p h GLU 111 Ca -0.10 0.01 0.46 0.00 0.08 0.00 0.00 59.36 59.81 1r9p h GLU 111 Cb 0.73 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 1r9p h GLU 111 CO 0.15 -0.07 0.98 -3.47 -2.18 0.00 0.00 179.01 174.42 1r9p n ASP 112 N -2.39 0.11 0.11 1.04 2.03 0.48 0.13 116.55 118.05 1r9p n ASP 112 Ca -0.01 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.25 1r9p n ASP 112 Cb 0.04 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.82 1r9p n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9p h ALA 113 N 1.19 -0.26 -0.92 -1.67 0.00 -0.75 0.12 119.26 116.97 1r9p h ALA 113 Ca 0.80 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.75 1r9p h ALA 113 Cb 2.85 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 20.67 1r9p h ALA 113 CO -0.25 -0.52 0.60 0.97 0.00 0.00 0.00 179.25 180.06 1r9p h ILE 114 N -0.53 0.69 -0.02 0.00 6.09 0.13 -0.79 117.51 123.09 1r9p h ILE 114 Ca -0.03 -0.16 -0.04 0.00 -1.37 0.00 0.00 64.86 63.26 1r9p h ILE 114 Cb 0.40 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.87 1r9p h ILE 114 CO 0.04 0.08 -0.16 0.50 -3.07 0.00 0.00 178.15 175.55 1r9p h LYS 115 N 0.46 0.14 -0.29 2.19 3.64 -1.10 -2.71 116.57 118.90 1r9p h LYS 115 Ca 0.48 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1r9p h LYS 115 Cb 1.12 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 1r9p h LYS 115 CO -0.20 0.82 -0.31 0.00 -2.27 0.00 0.00 179.45 177.48 1r9p h ALA 116 N 0.32 -0.25 0.40 5.00 0.00 0.59 -1.01 119.26 124.31 1r9p h ALA 116 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r9p h ALA 116 Cb 0.86 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1r9p h ALA 116 CO 0.03 -0.75 -0.46 0.00 0.00 0.00 0.00 179.25 178.08 1r9p h ALA 117 N 0.64 -1.09 -0.96 0.00 0.00 -1.33 -0.51 119.26 116.01 1r9p h ALA 117 Ca 0.14 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1r9p h ALA 117 Cb 0.53 0.71 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 1r9p h ALA 117 CO -0.46 -1.13 0.04 -0.89 0.00 0.00 0.00 179.25 176.81 1r9p n ILE 118 N -5.20 -0.40 0.10 0.00 5.41 -0.91 0.68 119.36 119.05 1r9p n ILE 118 Ca -0.10 2.10 -0.13 0.00 1.00 0.00 0.00 62.75 65.61 1r9p n ILE 118 Cb 0.41 -3.08 -0.08 0.00 -0.71 0.00 0.00 39.64 36.18 1r9p n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p h ALA 119 N 1.92 -0.21 0.00 -1.39 0.00 -0.21 -1.42 119.26 117.95 1r9p h ALA 119 Ca 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1r9p h ALA 119 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1r9p h ALA 119 CO -0.89 -0.55 0.14 0.22 0.00 0.00 0.00 179.25 178.16 1r9p h ASP 120 N -0.35 0.00 0.00 0.00 3.58 0.18 0.64 116.42 120.47 1r9p h ASP 120 Ca -0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1r9p h ASP 120 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1r9p h ASP 120 CO 0.04 0.00 -0.03 0.22 -2.88 0.00 0.00 179.24 176.59 1r9p h TYR 121 N 0.00 0.03 -0.05 0.28 5.03 0.23 -3.20 116.97 119.28 1r9p h TYR 121 Ca 0.00 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1r9p h TYR 121 Cb 0.27 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.55 1r9p h TYR 121 CO 0.00 0.88 -0.13 0.87 -1.32 0.00 0.00 178.16 178.47 1r9p h LYS 122 N -0.84 0.18 0.00 1.82 6.56 -0.89 -2.76 116.57 120.63 1r9p h LYS 122 Ca -0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1r9p h LYS 122 Cb 0.89 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1r9p h LYS 122 CO 0.01 0.72 0.32 0.00 -2.06 0.00 0.00 179.45 178.44 1r9p n ALA 123 N -2.44 0.57 0.97 3.86 0.00 0.12 0.20 120.51 123.79 1r9p n ALA 123 Ca -0.08 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1r9p n ALA 123 Cb 0.37 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 1r9p n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r9p n LYS 124 N -1.93 0.09 -0.00 0.00 4.01 -1.05 -3.56 118.16 115.72 1r9p n LYS 124 Ca -0.01 -0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.84 1r9p n LYS 124 Cb 0.33 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.28 1r9p n LYS 124 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1r9p n GLN 125 N -1.51 1.17 0.00 1.97 1.13 0.53 -4.41 117.38 116.26 1r9p n GLN 125 Ca 0.04 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1r9p n GLN 125 Cb 0.33 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.48 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r9p n GLY 126 N 1.69 -0.21 0.35 1.08 0.00 0.44 -4.64 105.19 103.90 1r9p n GLY 126 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 1r9p n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r9p h LEU 127 N 0.00 0.55 -1.34 0.99 5.85 -1.74 -3.47 115.31 116.15 1r9p h LEU 127 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1r9p h LEU 127 Cb 0.00 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1r9p h LEU 127 CO 0.00 -0.05 -0.90 1.21 -0.34 0.00 0.00 178.44 178.35 1r9p n GLU 128 N -4.96 -5.09 0.00 1.25 0.00 -1.24 -5.01 120.64 105.59 1r9p n GLU 128 Ca 0.30 3.64 0.00 0.00 0.00 0.00 0.00 57.16 61.10 1r9p n GLU 128 Cb 0.93 -4.02 0.00 0.00 0.00 0.00 0.00 31.44 28.35 1r9p n GLU 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1r9p n HIS 129 N 1.14 0.00 -2.77 4.31 8.25 -1.26 -4.94 115.22 119.95 1r9p n HIS 129 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1r9p n HIS 129 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1r9p n HIS 129 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r9p n HIS 130 N 0.00 2.45 -1.14 4.41 -0.00 -1.26 -4.76 115.22 114.92 1r9p n HIS 130 Ca 0.00 -2.61 -0.28 0.00 0.46 0.00 0.00 57.72 55.29 1r9p n HIS 130 Cb 0.00 -1.39 0.10 0.00 -0.12 0.00 0.00 29.99 28.58 1r9p n HIS 130 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1r9p n HIS 131 N 1.47 2.81 -2.83 1.57 1.44 -1.26 -4.92 115.22 113.51 1r9p n HIS 131 Ca 0.34 -2.43 -0.43 0.00 -2.01 0.00 0.00 57.72 53.19 1r9p n HIS 131 Cb 0.32 -1.19 -0.04 0.00 0.12 0.00 0.00 29.99 29.20 1r9p n HIS 131 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1r9p s HIS 132 N -3.22 2.97 0.00 -1.40 2.46 -1.26 -4.79 115.29 110.05 1r9p s HIS 132 Ca 0.55 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.56 1r9p s HIS 132 Cb 0.44 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 1r9p s HIS 132 CO 0.03 -1.02 0.00 0.72 -2.47 0.00 0.00 174.74 172.00 1r9p n HIS 133 N 7.03 0.00 -0.02 3.88 8.25 -1.26 -5.29 115.22 127.81 1r9p n HIS 133 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1r9p n HIS 133 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56