#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p s ALA 2 N 0.00 2.22 1.11 3.04 0.00 -1.26 -4.97 121.76 121.90 1r9p s ALA 2 Ca 0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1r9p s ALA 2 Cb 0.00 -4.42 0.12 0.00 0.00 0.00 0.00 23.12 18.82 1r9p s ALA 2 CO 0.00 -4.02 0.02 0.66 0.00 0.00 0.00 175.76 172.42 1r9p n TYR 3 N 11.80 -1.71 -3.97 0.00 4.02 -1.26 -5.01 117.16 121.04 1r9p n TYR 3 Ca 0.26 0.09 -0.23 0.00 -0.01 0.00 0.00 57.90 58.01 1r9p n TYR 3 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 39.34 38.26 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1r9p s SER 4 N -1.87 4.65 0.17 7.72 1.04 -1.26 -5.15 113.70 119.00 1r9p s SER 4 Ca 0.51 -0.93 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 1r9p s SER 4 Cb -0.09 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.48 1r9p s SER 4 CO 0.58 -0.52 0.37 -0.70 0.98 0.00 0.00 173.24 173.95 1r9p s GLU 5 N -3.95 1.22 0.02 4.02 2.12 -1.26 -5.16 118.70 115.71 1r9p s GLU 5 Ca 0.42 -1.04 0.06 0.00 0.36 0.00 0.00 54.97 54.77 1r9p s GLU 5 Cb 0.01 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 1r9p s GLU 5 CO 0.24 -0.48 -0.17 0.21 -0.54 0.00 0.00 175.26 174.53 1r9p s LYS 6 N -3.93 2.19 4.08 4.30 2.47 -1.26 -4.95 119.74 122.64 1r9p s LYS 6 Ca 0.13 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1r9p s LYS 6 Cb 0.02 -2.24 0.00 0.00 -1.46 0.00 0.00 37.83 34.14 1r9p s LYS 6 CO -0.02 0.56 0.00 0.28 0.16 0.00 0.00 175.35 176.33 1r9p n VAL 7 N 1.69 0.00 -3.20 4.02 0.31 -1.26 -4.94 118.33 114.95 1r9p n VAL 7 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.11 1r9p n VAL 7 Cb 0.52 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 1r9p n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1r9p n ILE 8 N 0.00 -9.02 -0.42 2.52 2.08 -1.26 -4.68 119.36 108.57 1r9p n ILE 8 Ca 0.00 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.93 1r9p n ILE 8 Cb 0.00 -6.28 0.00 0.00 -0.75 0.00 0.00 39.64 32.61 1r9p n ILE 8 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1r9p n ASP 9 N -2.09 -0.21 -2.26 4.38 9.92 -1.26 -4.91 116.55 120.12 1r9p n ASP 9 Ca -0.05 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1r9p n ASP 9 Cb 0.54 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1r9p n ASP 9 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1r9p n HIS 10 N 0.00 -3.03 -2.60 1.24 8.25 -1.26 -4.72 115.22 113.09 1r9p n HIS 10 Ca 0.00 1.80 -0.41 0.00 -0.26 0.00 0.00 57.72 58.85 1r9p n HIS 10 Cb 0.00 -2.79 -0.03 0.00 1.12 0.00 0.00 29.99 28.29 1r9p n HIS 10 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1r9p s TYR 11 N -0.38 2.42 0.00 4.41 1.51 -1.26 -4.83 117.35 119.22 1r9p s TYR 11 Ca -0.01 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1r9p s TYR 11 Cb 0.00 -4.60 0.00 0.00 -0.11 0.00 0.00 41.96 37.25 1r9p s TYR 11 CO 0.03 -1.97 0.00 -1.91 -1.11 0.00 0.00 175.55 170.58 1r9p n GLU 12 N 8.96 0.00 -3.26 -0.62 2.13 -1.26 -4.34 120.64 122.25 1r9p n GLU 12 Ca 0.11 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.70 1r9p n GLU 12 Cb 0.49 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1r9p n ASN 13 N -3.30 -0.91 -1.98 4.31 5.03 -1.26 -5.01 115.26 112.14 1r9p n ASN 13 Ca 0.00 -2.51 -0.09 0.00 0.87 0.00 0.00 54.58 52.85 1r9p n ASN 13 Cb 0.00 -0.17 -0.13 0.00 -1.02 0.00 0.00 39.78 38.46 1r9p n ASN 13 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1r9p n PRO 14 N 2.67 1.63 -0.22 3.52 -0.04 -1.26 -4.94 135.00 136.35 1r9p n PRO 14 Ca 0.27 -0.74 -0.17 0.00 -0.04 0.00 0.00 63.50 62.82 1r9p n PRO 14 Cb 0.50 -1.80 0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1r9p n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r9p n ARG 15 N 2.40 -2.81 0.00 0.54 5.12 -1.26 -5.04 116.66 115.60 1r9p n ARG 15 Ca 0.32 -0.81 0.00 0.00 -1.93 0.00 0.00 57.85 55.43 1r9p n ARG 15 Cb 0.75 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1r9p n ASN 16 N -3.56 0.00 -2.95 0.55 4.05 -1.26 -5.13 115.26 106.96 1r9p n ASN 16 Ca 0.08 0.00 0.04 0.00 0.45 0.00 0.00 54.58 55.14 1r9p n ASN 16 Cb 0.33 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.35 1r9p n ASN 16 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1r9p s VAL 17 N 1.38 -0.16 0.60 3.44 0.11 -1.26 -5.14 120.40 119.37 1r9p s VAL 17 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1r9p s VAL 17 Cb 0.00 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.77 1r9p s VAL 17 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1r9p n GLY 18 N 4.36 -3.66 1.20 6.54 0.00 -1.26 -4.94 105.19 107.43 1r9p n GLY 18 Ca 0.08 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.35 1r9p n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r9p n SER 19 N -3.31 -5.74 0.00 1.61 7.64 -1.26 -4.63 113.62 107.92 1r9p n SER 19 Ca -0.04 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1r9p n SER 19 Cb 0.56 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 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 -4.00 0.65 -4.35 -3.43 4.32 -1.26 -4.94 117.00 103.99 1r9p n LEU 20 Ca -0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.74 1r9p n LEU 20 Cb 0.51 -1.49 -0.10 0.00 -1.62 0.00 0.00 43.42 40.71 1r9p n LEU 20 CO 0.03 -0.53 -0.30 1.51 -1.22 0.00 0.00 177.39 176.88 1r9p s ASP 21 N -2.13 1.79 -0.00 -1.43 1.47 -1.26 -5.01 116.67 110.10 1r9p s ASP 21 Ca 0.00 -1.30 0.00 0.00 1.18 0.00 0.00 52.55 52.44 1r9p s ASP 21 Cb 0.00 0.03 0.01 0.00 -0.34 0.00 0.00 42.92 42.62 1r9p s ASP 21 CO 0.00 -0.59 0.95 2.29 0.68 0.00 0.00 175.17 178.49 1r9p n LYS 22 N -0.49 1.03 0.07 2.11 2.85 -1.26 -3.27 118.16 119.20 1r9p n LYS 22 Ca -0.03 -0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.31 1r9p n LYS 22 Cb 0.65 -1.08 0.26 0.00 -0.65 0.00 0.00 35.03 34.21 1r9p n LYS 22 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1r9p n LYS 23 N -0.40 0.27 -4.27 -1.58 4.81 -1.26 -4.83 118.16 110.89 1r9p n LYS 23 Ca 0.00 0.12 -0.30 0.00 -0.87 0.00 0.00 58.31 57.26 1r9p n LYS 23 Cb 0.04 -1.71 -0.10 0.00 0.02 0.00 0.00 35.03 33.29 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1r9p s ASP 24 N -4.25 4.59 0.33 3.14 1.11 -1.20 -4.99 116.67 115.40 1r9p s ASP 24 Ca 0.08 -0.28 0.26 0.00 0.18 0.00 0.00 52.55 52.79 1r9p s ASP 24 Cb 0.13 -0.98 1.01 0.00 1.07 0.00 0.00 42.92 44.15 1r9p s ASP 24 CO 0.68 0.20 1.78 0.77 1.18 0.00 0.00 175.17 179.78 1r9p h SER 25 N 3.80 0.00 0.00 0.27 4.64 -1.90 -2.83 113.55 117.53 1r9p h SER 25 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1r9p h SER 25 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1r9p h SER 25 CO 0.54 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 1r9p n ASN 26 N -2.50 0.00 -3.61 4.97 6.94 -1.26 -4.00 115.26 115.79 1r9p n ASN 26 Ca 0.02 -0.28 -0.29 0.00 -0.02 0.00 0.00 54.58 54.01 1r9p n ASN 26 Cb 0.30 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.58 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1r9p s VAL 27 N -2.00 0.53 0.26 3.53 1.01 -1.07 -1.31 120.40 121.36 1r9p s VAL 27 Ca 0.11 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1r9p s VAL 27 Cb 0.05 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 1r9p s VAL 27 CO 0.09 -0.81 1.20 -0.83 0.00 0.00 0.00 175.10 174.75 1r9p s GLY 28 N 1.37 2.88 -0.37 4.51 0.00 -0.77 -4.83 107.32 110.12 1r9p s GLY 28 Ca 0.13 1.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.78 1r9p s GLY 28 CO -0.17 1.76 0.20 -1.59 0.00 0.00 0.00 173.10 173.30 1r9p s THR 29 N -0.74 4.47 -0.73 0.90 2.01 -1.26 -2.29 115.64 118.01 1r9p s THR 29 Ca 0.49 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 1r9p s THR 29 Cb -0.35 -3.51 0.19 0.00 0.01 0.00 0.00 72.50 68.84 1r9p s THR 29 CO 0.43 -0.24 0.62 -0.83 -0.69 0.00 0.00 174.62 173.91 1r9p s GLY 30 N 1.55 2.56 0.00 4.40 0.00 0.31 -4.06 107.32 112.07 1r9p s GLY 30 Ca 0.01 -3.23 -0.13 0.00 0.00 0.00 0.00 44.72 41.37 1r9p s GLY 30 CO 0.06 1.20 0.39 -0.29 0.00 0.00 0.00 173.10 174.45 1r9p s MET 31 N 0.20 3.86 0.32 2.90 1.75 -1.26 -0.39 119.30 126.68 1r9p s MET 31 Ca 0.16 0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 54.77 1r9p s MET 31 Cb -0.15 -3.18 0.03 0.00 2.84 0.00 0.00 34.83 34.36 1r9p s MET 31 CO -0.06 0.68 0.71 0.14 -0.65 0.00 0.00 175.02 175.84 1r9p s VAL 32 N -1.12 0.00 0.00 10.11 -7.23 -0.64 -4.99 120.40 116.53 1r9p s VAL 32 Ca 0.24 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1r9p s VAL 32 Cb -0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1r9p s VAL 32 CO 0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1r9p n GLY 33 N -0.48 1.05 3.01 2.32 0.00 -1.26 -1.57 105.19 108.26 1r9p n GLY 33 Ca -0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1r9p n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p s ALA 34 N -2.00 0.59 -0.07 4.61 0.00 -0.43 -5.00 121.76 119.47 1r9p s ALA 34 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1r9p s ALA 34 Cb 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 23.12 22.91 1r9p s ALA 34 CO 0.00 0.10 0.60 -1.00 0.00 0.00 0.00 175.76 175.47 1r9p h PRO 35 N 5.55 -0.23 -1.29 0.00 0.13 -1.95 -0.78 132.00 133.42 1r9p h PRO 35 Ca -0.31 0.02 0.42 0.00 -0.87 0.00 0.00 66.00 65.26 1r9p h PRO 35 Cb 1.19 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 1r9p h PRO 35 CO 0.47 0.08 0.83 0.00 -0.23 0.00 0.00 178.00 179.16 1r9p h ALA 36 N -0.66 2.69 -0.19 -0.56 0.00 -1.98 2.41 119.26 120.96 1r9p h ALA 36 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r9p h ALA 36 Cb 0.42 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1r9p h ALA 36 CO 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 179.25 177.98 1r9p n GLY 38 N 1.25 -0.23 3.10 0.00 0.00 0.81 -4.67 105.19 105.44 1r9p n GLY 38 Ca 0.15 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.12 1.45 -0.20 1.61 2.15 -0.73 -4.77 116.67 112.05 1r9p s ASP 39 Ca 0.09 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.73 1r9p s ASP 39 Cb -0.05 -0.11 0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1r9p s ASP 39 CO 0.88 0.06 -0.11 -0.69 -0.17 0.00 0.00 175.17 175.14 1r9p s VAL 40 N -0.63 1.71 -0.08 1.11 1.01 -1.24 -1.32 120.40 120.95 1r9p s VAL 40 Ca 0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1r9p s VAL 40 Cb -0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1r9p s VAL 40 CO 0.00 0.18 -0.04 -0.32 0.00 0.00 0.00 175.10 174.92 1r9p s MET 41 N 1.37 2.94 -0.13 2.72 1.75 -0.61 -3.81 119.30 123.53 1r9p s MET 41 Ca -0.01 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 1r9p s MET 41 Cb -0.16 -2.71 0.01 0.00 2.84 0.00 0.00 34.83 34.81 1r9p s MET 41 CO -0.08 0.64 -0.18 -1.14 -0.65 0.00 0.00 175.02 173.60 1r9p s GLN 42 N -0.73 2.61 -0.03 4.11 0.74 -0.58 -1.62 119.66 124.16 1r9p s GLN 42 Ca 0.11 -0.70 0.07 0.00 0.05 0.00 0.00 55.36 54.89 1r9p s GLN 42 Cb -0.11 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 1r9p s GLN 42 CO 0.02 -0.05 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.30 1r9p s LEU 43 N 0.92 2.05 -0.02 3.68 0.20 0.48 -1.29 118.68 124.70 1r9p s LEU 43 Ca -0.06 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.32 1r9p s LEU 43 Cb -0.15 -1.28 0.00 0.00 -0.43 0.00 0.00 46.19 44.33 1r9p s LEU 43 CO -0.02 0.28 -0.05 -1.10 -0.29 0.00 0.00 176.35 175.17 1r9p s GLN 44 N -0.45 0.57 -0.08 1.98 -0.21 0.15 0.11 119.66 121.74 1r9p s GLN 44 Ca 0.06 -0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.30 1r9p s GLN 44 Cb -0.11 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.33 1r9p s GLN 44 CO 0.00 0.07 -0.24 0.96 -2.12 0.00 0.00 175.29 173.96 1r9p s ILE 45 N 0.17 2.12 -0.13 1.08 -4.36 -0.97 -1.42 121.20 117.70 1r9p s ILE 45 Ca -0.02 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 59.32 1r9p s ILE 45 Cb -0.06 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 1r9p s ILE 45 CO -0.00 0.56 0.01 -0.75 0.24 0.00 0.00 174.94 175.00 1r9p s LYS 46 N 0.13 3.39 0.13 0.37 2.20 -0.91 -1.84 119.74 123.21 1r9p s LYS 46 Ca -0.12 -0.42 0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1r9p s LYS 46 Cb -0.16 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1r9p s LYS 46 CO 0.07 0.49 -0.14 0.08 -0.36 0.00 0.00 175.35 175.49 1r9p s VAL 47 N -0.29 3.06 0.00 4.02 1.01 -0.43 -2.23 120.40 125.55 1r9p s VAL 47 Ca 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1r9p s VAL 47 Cb -0.12 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1r9p s VAL 47 CO 0.02 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.49 1r9p n ASP 48 N 0.54 0.00 -0.28 3.32 2.03 -1.01 -4.83 116.55 116.33 1r9p n ASP 48 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1r9p n ASP 48 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1r9p n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r9p n ASP 49 N 0.00 0.00 0.00 1.67 2.03 -1.26 -4.82 116.55 114.17 1r9p n ASP 49 Ca 0.00 -1.50 0.00 0.00 0.52 0.00 0.00 54.79 53.81 1r9p n ASP 49 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1r9p n ASN 50 N 0.00 0.25 0.00 1.67 3.02 -1.26 -4.99 115.26 113.95 1r9p n ASN 50 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1r9p n ASN 50 Cb 0.60 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 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 0.18 0.78 3.80 7.41 0.00 -1.26 -5.04 105.19 111.06 1r9p n GLY 51 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 5.18 -0.26 -0.61 -1.09 -1.26 -2.72 121.20 118.43 1r9p s ILE 52 Ca 0.00 0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 58.83 1r9p s ILE 52 Cb 0.00 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1r9p s ILE 52 CO 0.00 0.51 1.38 -0.63 -1.23 0.00 0.00 174.94 174.97 1r9p s ILE 53 N -0.50 4.04 -0.11 2.92 1.01 -0.05 -2.40 121.20 126.11 1r9p s ILE 53 Ca 0.21 1.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.98 1r9p s ILE 53 Cb -0.15 -4.03 -0.27 0.00 0.01 0.00 0.00 42.46 38.03 1r9p s ILE 53 CO 0.10 -0.39 0.41 -0.08 0.00 0.00 0.00 174.94 174.97 1r9p h GLU 54 N 9.53 0.28 0.00 2.79 4.81 -1.77 0.56 114.58 130.79 1r9p h GLU 54 Ca -0.28 -0.48 -0.45 0.00 -0.13 0.00 0.00 59.36 58.02 1r9p h GLU 54 Cb 1.11 0.18 -0.12 0.00 0.63 0.00 0.00 28.75 30.55 1r9p h GLU 54 CO 1.02 1.22 -0.44 -0.25 -0.73 0.00 0.00 179.01 179.83 1r9p n ASP 55 N -3.49 -0.66 -3.63 1.04 8.00 -1.24 -4.63 116.55 111.94 1r9p n ASP 55 Ca -0.31 -3.08 -0.09 0.00 0.71 0.00 0.00 54.79 52.02 1r9p n ASP 55 Cb 1.05 1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 43.67 1r9p n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9p s ALA 56 N -3.28 -1.97 0.04 2.24 0.00 -1.26 -2.14 121.76 115.38 1r9p s ALA 56 Ca 0.38 1.85 0.07 0.00 0.00 0.00 0.00 51.96 54.26 1r9p s ALA 56 Cb 0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1r9p s ALA 56 CO 0.27 -0.24 -0.19 0.15 0.00 0.00 0.00 175.76 175.74 1r9p s LYS 57 N 0.11 2.05 0.01 0.00 1.02 -0.51 -4.99 119.74 117.43 1r9p s LYS 57 Ca 0.03 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 1r9p s LYS 57 Cb -0.05 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1r9p s LYS 57 CO -0.05 0.54 0.05 -0.59 -0.92 0.00 0.00 175.35 174.38 1r9p s PHE 58 N -0.89 0.16 -0.33 3.18 -0.71 -1.26 -0.67 117.98 117.46 1r9p s PHE 58 Ca 0.14 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.72 1r9p s PHE 58 Cb -0.10 -0.12 0.17 0.00 -1.21 0.00 0.00 43.02 41.75 1r9p s PHE 58 CO 0.04 -0.25 0.49 0.15 -1.34 0.00 0.00 175.22 174.31 1r9p s LYS 59 N -1.51 0.58 0.09 1.99 1.02 -0.41 -4.99 119.74 116.51 1r9p s LYS 59 Ca -0.15 -0.07 0.08 0.00 0.02 0.00 0.00 55.97 55.86 1r9p s LYS 59 Cb -0.08 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1r9p s LYS 59 CO -0.00 -1.10 -0.21 -0.08 -0.92 0.00 0.00 175.35 173.03 1r9p s THR 60 N 2.23 1.73 0.03 2.17 -1.32 -1.26 -1.53 115.64 117.68 1r9p s THR 60 Ca 0.13 -1.48 -0.28 0.00 -1.21 0.00 0.00 61.69 58.85 1r9p s THR 60 Cb -0.11 -1.55 0.08 0.00 -1.51 0.00 0.00 72.50 69.41 1r9p s THR 60 CO -0.19 0.00 0.68 -0.72 -2.21 0.00 0.00 174.62 172.18 1r9p s TYR 61 N -1.08 -0.58 0.00 9.09 1.13 -1.25 -4.79 117.35 119.87 1r9p s TYR 61 Ca 0.07 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 56.47 1r9p s TYR 61 Cb -0.10 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1r9p s TYR 61 CO 0.04 -0.68 0.00 0.41 -2.51 0.00 0.00 175.55 172.81 1r9p n GLY 62 N 0.34 2.93 3.60 5.49 0.00 -1.26 -3.74 105.19 112.55 1r9p n GLY 62 Ca -0.17 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 5.06 1.55 0.00 0.00 0.00 -1.26 -1.68 105.19 108.86 1r9p n GLY 64 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N 2.17 0.00 0.08 1.61 2.88 -1.26 -4.94 113.62 114.15 1r9p n SER 65 Ca 0.07 -0.26 -0.22 0.00 -1.33 0.00 0.00 58.87 57.13 1r9p n SER 65 Cb 0.28 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.59 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p h ALA 66 N 0.00 0.15 -0.64 -1.46 0.00 -1.72 -3.22 119.26 112.37 1r9p h ALA 66 Ca 0.00 -1.11 0.13 0.00 0.00 0.00 0.00 54.91 53.94 1r9p h ALA 66 Cb 0.13 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1r9p h ALA 66 CO 0.00 1.02 -0.11 0.82 0.00 0.00 0.00 179.25 180.98 1r9p h ILE 67 N 0.10 0.39 0.12 0.00 1.08 -1.87 1.12 117.51 118.45 1r9p h ILE 67 Ca -0.31 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1r9p h ILE 67 Cb 2.09 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1r9p h ILE 67 CO 0.18 0.01 -0.06 0.00 -0.69 0.00 0.00 178.15 177.59 1r9p h ALA 68 N 1.63 -0.78 -1.29 1.87 0.00 -1.93 -1.71 119.26 117.03 1r9p h ALA 68 Ca 0.32 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.58 1r9p h ALA 68 Cb 0.51 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1r9p h ALA 68 CO -0.63 -0.77 0.87 0.77 0.00 0.00 0.00 179.25 179.49 1r9p h SER 69 N -0.21 0.23 0.00 0.00 0.02 -1.50 -2.12 113.55 109.97 1r9p h SER 69 Ca -0.02 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1r9p h SER 69 Cb 0.13 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1r9p h SER 69 CO 0.03 -0.06 0.00 -0.24 -1.14 0.00 0.00 176.83 175.42 1r9p n SER 70 N -4.50 0.00 -0.49 3.07 2.88 0.38 -1.65 113.62 113.31 1r9p n SER 70 Ca 0.33 0.63 0.39 0.00 -1.33 0.00 0.00 58.87 58.89 1r9p n SER 70 Cb 1.32 -0.25 0.60 0.00 -0.75 0.00 0.00 64.21 65.12 1r9p n SER 70 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1r9p n SER 71 N -1.26 0.00 0.00 -3.46 7.64 -0.66 -0.72 113.62 115.16 1r9p n SER 71 Ca 0.00 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1r9p n SER 71 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1r9p n SER 71 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1r9p n LEU 72 N -3.41 1.11 -0.51 -3.43 7.94 -0.85 -2.11 117.00 115.74 1r9p n LEU 72 Ca 0.33 0.05 0.40 0.00 -1.11 0.00 0.00 56.01 55.67 1r9p n LEU 72 Cb 1.57 0.00 0.64 0.00 0.53 0.00 0.00 43.42 46.16 1r9p n LEU 72 CO 0.33 0.00 1.16 0.00 -1.11 0.00 0.00 177.39 177.77 1r9p n ILE 73 N -0.23 -0.11 -0.06 1.96 3.06 -0.66 0.19 119.36 123.51 1r9p n ILE 73 Ca 0.00 1.41 -0.12 0.00 -2.50 0.00 0.00 62.75 61.54 1r9p n ILE 73 Cb 0.00 -2.33 -0.06 0.00 0.54 0.00 0.00 39.64 37.80 1r9p n ILE 73 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1r9p h THR 74 N 0.00 1.28 0.00 9.51 1.35 -1.03 -2.06 112.91 121.95 1r9p h THR 74 Ca 0.78 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1r9p h THR 74 Cb 2.84 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.79 1r9p h THR 74 CO -0.20 0.29 0.00 -0.62 -0.25 0.00 0.00 175.52 174.74 1r9p n GLU 75 N -4.66 0.20 -0.01 4.72 1.02 0.51 -3.09 120.64 119.32 1r9p n GLU 75 Ca -0.05 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1r9p n GLU 75 Cb 0.26 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 1r9p n GLU 75 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1r9p h TRP 76 N 0.00 0.00 -0.42 -0.32 7.01 -0.65 -3.29 115.95 118.28 1r9p h TRP 76 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1r9p h TRP 76 Cb 0.36 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1r9p h TRP 76 CO 0.00 1.00 0.00 1.33 -2.79 0.00 0.00 178.44 177.98 1r9p n VAL 77 N -3.10 0.74 -2.83 2.65 0.24 -0.81 -4.50 118.33 110.71 1r9p n VAL 77 Ca -0.14 -0.62 -0.43 0.00 -2.04 0.00 0.00 64.34 61.11 1r9p n VAL 77 Cb 1.03 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 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 -1.51 3.60 0.00 7.34 2.20 -1.22 -3.60 119.74 126.55 1r9p s LYS 78 Ca 0.30 -1.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 1r9p s LYS 78 Cb 0.17 -5.03 0.00 0.00 -1.51 0.00 0.00 37.83 31.45 1r9p s LYS 78 CO 0.18 -1.88 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 1r9p n GLY 79 N 5.83 1.80 0.00 5.54 0.00 0.19 -5.01 105.19 113.53 1r9p n GLY 79 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.36 -0.69 -4.57 1.61 4.76 -1.24 -4.47 118.16 113.20 1r9p n LYS 80 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1r9p n LYS 80 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1r9p n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1r9p n SER 81 N -2.48 3.35 0.06 4.39 7.64 -1.26 -0.87 113.62 124.45 1r9p n SER 81 Ca 0.00 -3.13 -0.08 0.00 1.01 0.00 0.00 58.87 56.66 1r9p n SER 81 Cb 0.00 0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1r9p n SER 81 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1r9p h LEU 82 N 0.00 0.39 -0.17 -3.43 3.38 -1.91 -2.10 115.31 111.48 1r9p h LEU 82 Ca -0.40 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1r9p h LEU 82 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1r9p h LEU 82 CO 0.67 0.98 0.00 -0.62 0.09 0.00 0.00 178.44 179.56 1r9p n GLU 83 N -3.82 0.04 -0.13 1.13 1.02 -1.26 -0.67 120.64 116.94 1r9p n GLU 83 Ca -0.04 0.31 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1r9p n GLU 83 Cb 0.69 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1r9p n GLU 83 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1r9p n GLU 84 N -1.66 0.57 0.19 3.49 4.07 -1.04 -4.39 120.64 121.87 1r9p n GLU 84 Ca 0.03 0.24 0.06 0.00 -0.06 0.00 0.00 57.16 57.43 1r9p n GLU 84 Cb 0.16 -1.45 0.35 0.00 -0.06 0.00 0.00 31.44 30.44 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1r9p h ALA 85 N -0.92 1.02 -0.81 4.31 0.00 -1.37 -2.63 119.26 118.85 1r9p h ALA 85 Ca -0.67 -0.33 -0.62 0.00 0.00 0.00 0.00 54.91 53.28 1r9p h ALA 85 Cb 1.60 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 19.10 1r9p h ALA 85 CO -0.40 0.45 0.77 0.41 0.00 0.00 0.00 179.25 180.49 1r9p n GLY 86 N 0.18 5.13 0.00 0.00 0.00 0.15 -4.21 105.19 106.44 1r9p n GLY 86 Ca -0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.16 0.00 -0.88 4.61 0.00 -1.18 -4.89 120.51 118.02 1r9p n ALA 87 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.60 1r9p n ALA 87 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.99 1r9p n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1r9p n ILE 88 N -1.13 0.00 -4.43 0.00 -5.35 -1.00 -5.01 119.36 102.44 1r9p n ILE 88 Ca 0.00 -0.21 -0.23 0.00 -0.27 0.00 0.00 62.75 62.04 1r9p n ILE 88 Cb 0.00 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 37.59 1r9p n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1r9p n LYS 89 N 0.71 0.55 0.10 6.28 5.02 -1.26 -4.99 118.16 124.57 1r9p n LYS 89 Ca -0.00 -3.27 0.12 0.00 -2.02 0.00 0.00 58.31 53.14 1r9p n LYS 89 Cb 0.65 1.97 0.02 0.00 -0.02 0.00 0.00 35.03 37.66 1r9p n LYS 89 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1r9p h ASN 90 N 1.64 0.00 -0.66 4.39 -1.07 -1.92 -3.35 115.58 114.61 1r9p h ASN 90 Ca -0.29 -0.03 -0.03 0.00 0.07 0.00 0.00 56.30 56.02 1r9p h ASN 90 Cb 1.16 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.38 1r9p h ASN 90 CO 0.45 0.02 0.30 -1.28 0.07 0.00 0.00 177.43 176.98 1r9p h SER 91 N 0.00 0.88 0.76 6.14 0.87 -1.96 0.12 113.55 120.36 1r9p h SER 91 Ca 0.00 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1r9p h SER 91 Cb 0.97 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1r9p h SER 91 CO 0.00 0.78 -0.37 -0.61 -0.53 0.00 0.00 176.83 176.11 1r9p h GLN 92 N 0.92 -0.99 -0.86 2.24 4.15 -2.00 -1.01 115.11 117.56 1r9p h GLN 92 Ca 0.22 0.07 0.16 0.00 0.77 0.00 0.00 58.65 59.87 1r9p h GLN 92 Cb 0.15 0.22 -0.10 0.00 0.21 0.00 0.00 27.48 27.97 1r9p h GLN 92 CO -0.02 -0.66 0.43 0.82 -1.93 0.00 0.00 178.83 177.47 1r9p h ILE 93 N -1.22 0.69 -0.54 2.39 2.04 -1.68 0.43 117.51 119.62 1r9p h ILE 93 Ca -0.10 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1r9p h ILE 93 Cb 0.79 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1r9p h ILE 93 CO 0.17 0.11 0.36 0.00 0.00 0.00 0.00 178.15 178.79 1r9p h ALA 94 N 1.58 1.66 -0.29 1.87 0.00 -0.60 -1.36 119.26 122.12 1r9p h ALA 94 Ca 0.48 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 1r9p h ALA 94 Cb 0.72 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1r9p h ALA 94 CO -0.39 0.30 -0.48 1.49 0.00 0.00 0.00 179.25 180.17 1r9p h GLU 95 N 0.69 0.80 -0.33 0.00 4.81 0.12 3.65 114.58 124.32 1r9p h GLU 95 Ca 0.21 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1r9p h GLU 95 Cb -0.01 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1r9p h GLU 95 CO -0.05 1.10 0.12 0.93 -0.73 0.00 0.00 179.01 180.38 1r9p h GLU 96 N 0.63 0.26 0.00 1.92 4.39 -0.07 -2.73 114.58 118.98 1r9p h GLU 96 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1r9p h GLU 96 Cb 1.06 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1r9p h GLU 96 CO 0.11 0.17 -1.31 1.28 -1.16 0.00 0.00 179.01 178.09 1r9p n LEU 97 N -5.01 0.50 -3.54 1.33 4.77 -0.91 -5.01 117.00 109.13 1r9p n LEU 97 Ca 0.00 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1r9p n LEU 97 Cb 0.11 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1r9p n LEU 97 CO 0.28 0.01 -0.13 1.21 -1.33 0.00 0.00 177.39 177.43 1r9p n GLU 98 N -2.12 -1.65 -3.93 3.23 2.13 1.21 -4.94 120.64 114.56 1r9p n GLU 98 Ca 0.00 1.13 -0.31 0.00 0.66 0.00 0.00 57.16 58.64 1r9p n GLU 98 Cb 0.48 -3.05 -0.04 0.00 0.27 0.00 0.00 31.44 29.10 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 -4.08 4.32 0.23 4.31 2.34 -1.21 -5.03 118.68 119.55 1r9p s LEU 99 Ca 0.10 0.25 -0.25 0.00 0.06 0.00 0.00 54.13 54.28 1r9p s LEU 99 Cb -0.01 -2.92 -0.16 0.00 -0.56 0.00 0.00 46.19 42.53 1r9p s LEU 99 CO 0.86 0.16 0.41 -2.65 -1.06 0.00 0.00 176.35 174.08 1r9p n PRO 100 N 0.26 0.00 0.12 1.48 -0.02 -1.26 -4.85 135.00 130.72 1r9p n PRO 100 Ca -0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1r9p n PRO 100 Cb 0.51 -0.95 0.43 0.00 -0.02 0.00 0.00 33.50 33.47 1r9p n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1r9p h PRO 101 N 0.82 0.00 -1.01 0.52 0.13 -2.02 -3.28 132.00 127.17 1r9p h PRO 101 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1r9p h PRO 101 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1r9p h PRO 101 CO 0.52 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.62 1r9p n VAL 102 N -2.30 0.42 -2.08 1.56 0.24 -1.26 -3.12 118.33 111.78 1r9p n VAL 102 Ca 0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1r9p n VAL 102 Cb 0.37 -0.66 0.01 0.00 -1.47 0.00 0.00 33.84 32.09 1r9p n VAL 102 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1r9p n LYS 103 N 0.37 0.26 0.19 7.34 2.85 -1.23 -4.96 118.16 122.97 1r9p n LYS 103 Ca 0.00 -0.51 0.15 0.00 -1.05 0.00 0.00 58.31 56.91 1r9p n LYS 103 Cb 0.30 0.38 0.77 0.00 -0.65 0.00 0.00 35.03 35.83 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1r9p h VAL 104 N 2.14 0.65 -0.58 0.58 2.07 -1.71 -2.99 116.25 116.41 1r9p h VAL 104 Ca -0.24 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1r9p h VAL 104 Cb 1.01 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1r9p h VAL 104 CO -0.12 0.00 -0.34 1.57 0.02 0.00 0.00 177.57 178.70 1r9p n HIS 105 N -4.10 -0.26 -0.32 1.57 -0.00 -1.26 0.13 115.22 110.98 1r9p n HIS 105 Ca 0.02 0.73 0.03 0.00 -0.00 0.00 0.00 57.72 58.50 1r9p n HIS 105 Cb 0.30 -0.52 0.09 0.00 -0.00 0.00 0.00 29.99 29.86 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r9p h SER 107 N 0.00 -0.51 -0.97 0.00 0.02 0.84 -2.41 113.55 110.52 1r9p h SER 107 Ca 0.38 -0.06 0.27 0.00 -0.84 0.00 0.00 61.79 61.54 1r9p h SER 107 Cb 0.60 0.13 -0.14 0.00 0.14 0.00 0.00 62.40 63.14 1r9p h SER 107 CO -0.90 -0.23 0.51 0.40 -1.14 0.00 0.00 176.83 175.47 1r9p h ILE 108 N -0.77 0.41 -0.66 3.27 2.04 0.99 0.83 117.51 123.62 1r9p h ILE 108 Ca -0.06 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1r9p h ILE 108 Cb 0.54 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1r9p h ILE 108 CO 0.10 0.08 0.27 -0.07 0.00 0.00 0.00 178.15 178.52 1r9p h LEU 109 N 0.41 0.88 0.71 1.44 4.07 -0.29 -0.50 115.31 122.03 1r9p h LEU 109 Ca 0.66 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.47 1r9p h LEU 109 Cb 1.36 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 1r9p h LEU 109 CO -0.55 0.78 -0.43 0.00 -1.08 0.00 0.00 178.44 177.16 1r9p h ALA 110 N 1.35 -1.10 -0.68 1.53 0.00 0.12 0.15 119.26 120.62 1r9p h ALA 110 Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r9p h ALA 110 Cb 0.18 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1r9p h ALA 110 CO -0.02 -1.13 0.43 1.49 0.00 0.00 0.00 179.25 180.02 1r9p h GLU 111 N -1.07 0.82 0.00 0.00 4.22 -1.33 -0.77 114.58 116.45 1r9p h GLU 111 Ca -0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 1r9p h GLU 111 Cb 0.86 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1r9p h GLU 111 CO 0.10 0.54 -0.05 -0.44 -2.18 0.00 0.00 179.01 176.99 1r9p h ASP 112 N 0.84 0.00 0.48 1.04 3.32 -0.82 -2.54 116.42 118.75 1r9p h ASP 112 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1r9p h ASP 112 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1r9p h ASP 112 CO -0.10 0.05 -0.23 0.00 -1.72 0.00 0.00 179.24 177.23 1r9p h ALA 113 N 1.95 -0.65 -0.94 3.45 0.00 0.81 0.12 119.26 124.01 1r9p h ALA 113 Ca -0.00 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.94 1r9p h ALA 113 Cb 0.08 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1r9p h ALA 113 CO 0.01 -0.69 0.62 0.97 0.00 0.00 0.00 179.25 180.15 1r9p h ILE 114 N -0.99 0.64 -0.02 0.00 6.09 -1.25 0.00 117.51 121.98 1r9p h ILE 114 Ca -0.07 -0.13 -0.05 0.00 -1.37 0.00 0.00 64.86 63.24 1r9p h ILE 114 Cb 0.59 0.21 0.00 0.00 0.47 0.00 0.00 36.82 38.10 1r9p h ILE 114 CO 0.11 0.07 -0.17 0.50 -3.07 0.00 0.00 178.15 175.59 1r9p h LYS 115 N 0.39 0.15 -0.15 2.19 3.64 -1.28 -2.69 116.57 118.82 1r9p h LYS 115 Ca 0.50 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 1r9p h LYS 115 Cb 1.28 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1r9p h LYS 115 CO -0.20 0.83 -0.08 0.00 -2.27 0.00 0.00 179.45 177.72 1r9p h ALA 116 N 0.33 0.04 0.00 5.00 0.00 0.65 -0.28 119.26 125.00 1r9p h ALA 116 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1r9p h ALA 116 Cb 0.87 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1r9p h ALA 116 CO 0.03 -0.53 -0.24 0.00 0.00 0.00 0.00 179.25 178.52 1r9p h ALA 117 N 1.05 -0.31 -0.01 0.00 0.00 -1.14 0.23 119.26 119.08 1r9p h ALA 117 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r9p h ALA 117 Cb 0.21 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1r9p h ALA 117 CO -0.20 -0.74 0.09 0.82 0.00 0.00 0.00 179.25 179.22 1r9p h ILE 118 N -0.37 0.08 0.03 0.00 2.04 -1.10 -0.74 117.51 117.45 1r9p h ILE 118 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 1r9p h ILE 118 Cb 0.45 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1r9p h ILE 118 CO -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.62 1r9p h ALA 119 N 1.84 0.00 0.00 1.87 0.00 0.12 -1.71 119.26 121.38 1r9p h ALA 119 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1r9p h ALA 119 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1r9p h ALA 119 CO -0.00 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1r9p n ASP 120 N -4.44 0.08 -0.11 0.00 8.00 -0.47 -2.00 116.55 117.61 1r9p n ASP 120 Ca -0.11 0.52 -0.23 0.00 0.71 0.00 0.00 54.79 55.68 1r9p n ASP 120 Cb 0.57 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 1r9p n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9p n TYR 121 N -1.58 0.88 0.26 1.24 9.36 -0.37 -4.10 117.16 122.85 1r9p n TYR 121 Ca 0.04 0.38 0.13 0.00 3.32 0.00 0.00 57.90 61.77 1r9p n TYR 121 Cb 0.23 -1.09 0.70 0.00 -0.63 0.00 0.00 39.34 38.55 1r9p n TYR 121 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1r9p h LYS 122 N -0.98 0.00 0.00 2.98 1.57 -1.30 -1.57 116.57 117.27 1r9p h LYS 122 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1r9p h LYS 122 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1r9p h LYS 122 CO -0.24 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 1r9p n ALA 123 N -2.23 1.94 -0.55 3.86 0.00 -0.85 -3.70 120.51 118.99 1r9p n ALA 123 Ca -0.01 -0.08 0.42 0.00 0.00 0.00 0.00 53.44 53.77 1r9p n ALA 123 Cb 0.28 -1.22 0.65 0.00 0.00 0.00 0.00 19.45 19.15 1r9p n ALA 123 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1r9p n LYS 124 N -1.09 -0.00 -0.12 0.00 2.85 -0.59 -0.45 118.16 118.76 1r9p n LYS 124 Ca 0.09 0.87 -0.22 0.00 -1.05 0.00 0.00 58.31 58.00 1r9p n LYS 124 Cb 0.07 -1.98 -0.08 0.00 -0.65 0.00 0.00 35.03 32.39 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1r9p n GLN 125 N -3.57 0.56 0.00 -1.58 7.27 -1.24 -5.03 117.38 113.78 1r9p n GLN 125 Ca 0.35 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1r9p n GLN 125 Cb 1.58 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 32.71 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r9p n GLY 126 N 1.36 0.77 0.00 1.69 0.00 0.40 -5.00 105.19 104.40 1r9p n GLY 126 Ca -0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1r9p n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r9p n LEU 127 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.97 117.00 116.52 1r9p n LEU 127 Ca 0.00 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1r9p n LEU 127 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1r9p n LEU 127 CO 0.00 -0.20 0.00 -0.62 -1.33 0.00 0.00 177.39 175.24 1r9p n GLU 128 N -1.46 0.00 -3.63 3.23 1.02 -1.26 -4.92 120.64 113.61 1r9p n GLU 128 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1r9p n GLU 128 Cb 0.18 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.53 1r9p n GLU 128 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1r9p s HIS 129 N 0.00 -0.75 0.00 -0.32 -3.43 -1.26 -5.03 115.29 104.50 1r9p s HIS 129 Ca 0.00 1.79 0.00 0.00 -0.80 0.00 0.00 55.06 56.05 1r9p s HIS 129 Cb 0.00 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.42 1r9p s HIS 129 CO 0.00 -0.38 0.00 1.58 -2.00 0.00 0.00 174.74 173.94 1r9p n HIS 130 N 2.57 0.00 0.00 0.38 -0.00 -1.26 -5.10 115.22 111.80 1r9p n HIS 130 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 1r9p n HIS 130 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r9p n HIS 131 N 0.00 0.00 -3.30 1.57 -0.00 -1.26 -4.88 115.22 107.35 1r9p n HIS 131 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 1r9p n HIS 131 Cb 0.00 0.08 -0.03 0.00 -0.12 0.00 0.00 29.99 29.92 1r9p n HIS 131 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1r9p n HIS 132 N -2.87 3.53 -1.88 1.57 -0.00 -1.26 -4.83 115.22 109.48 1r9p n HIS 132 Ca 0.00 -3.49 -0.30 0.00 -0.00 0.00 0.00 57.72 53.93 1r9p n HIS 132 Cb 0.41 -1.18 0.04 0.00 -0.00 0.00 0.00 29.99 29.26 1r9p n HIS 132 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1r9p n HIS 133 N 1.71 3.05 1.01 -1.40 -0.00 -1.26 -5.25 115.22 113.09 1r9p n HIS 133 Ca 0.25 -2.64 0.12 0.00 -0.00 0.00 0.00 57.72 55.45 1r9p n HIS 133 Cb 0.36 -0.75 0.11 0.00 -0.00 0.00 0.00 29.99 29.71 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92