#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 3.17 0.12 3.04 0.00 -1.26 -4.88 121.76 121.95 1r9p s ALA 2 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1r9p s ALA 2 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1r9p s ALA 2 CO 0.00 -0.46 0.00 0.66 0.00 0.00 0.00 175.76 175.96 1r9p n TYR 3 N -2.24 -2.44 -4.28 0.00 4.01 -1.26 -4.97 117.16 105.99 1r9p n TYR 3 Ca 0.05 0.65 -0.15 0.00 -0.16 0.00 0.00 57.90 58.29 1r9p n TYR 3 Cb 0.54 -1.15 -0.10 0.00 -0.31 0.00 0.00 39.34 38.32 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1r9p s SER 4 N -4.60 1.34 -0.22 7.72 0.01 -1.26 -5.00 113.70 111.69 1r9p s SER 4 Ca 0.00 -1.24 -0.13 0.00 1.31 0.00 0.00 55.95 55.90 1r9p s SER 4 Cb 0.00 0.11 -0.14 0.00 0.21 0.00 0.00 66.02 66.19 1r9p s SER 4 CO 0.00 -0.60 1.44 -1.84 0.41 0.00 0.00 173.24 172.65 1r9p n GLU 5 N -0.34 0.46 -2.21 12.44 0.28 -1.26 -4.65 120.64 125.37 1r9p n GLU 5 Ca -0.05 -0.94 -0.40 0.00 -0.16 0.00 0.00 57.16 55.61 1r9p n GLU 5 Cb 0.64 -2.32 0.00 0.00 1.43 0.00 0.00 31.44 31.20 1r9p n GLU 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1r9p n LYS 6 N 6.03 4.81 -1.41 3.44 4.81 -1.26 -5.00 118.16 129.57 1r9p n LYS 6 Ca 0.26 -3.83 -0.50 0.00 -0.87 0.00 0.00 58.31 53.37 1r9p n LYS 6 Cb 0.19 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 32.60 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r9p n VAL 7 N 1.27 1.43 0.00 3.15 0.31 -1.26 -4.95 118.33 118.28 1r9p n VAL 7 Ca 0.56 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1r9p n VAL 7 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.41 0.00 0.00 2.52 -0.00 -1.26 -5.12 119.36 115.91 1r9p n ILE 8 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 1r9p n ILE 8 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.84 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1r9p n ASP 9 N 0.00 0.00 -0.07 4.38 2.03 -1.26 -5.03 116.55 116.59 1r9p n ASP 9 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1r9p n ASP 9 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1r9p n ASP 9 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1r9p n HIS 10 N -0.20 0.00 0.00 -0.67 8.25 -1.26 -5.06 115.22 116.28 1r9p n HIS 10 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r9p n HIS 10 Cb 0.00 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.56 1r9p n HIS 10 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1r9p n TYR 11 N -2.96 0.00 0.00 4.41 4.19 -1.26 -4.98 117.16 116.56 1r9p n TYR 11 Ca -0.26 0.00 0.00 0.00 3.31 0.00 0.00 57.90 60.95 1r9p n TYR 11 Cb 0.77 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.60 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1r9p n GLU 12 N 0.00 0.00 -2.86 2.98 1.02 -1.26 -5.06 120.64 115.46 1r9p n GLU 12 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1r9p n GLU 12 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1r9p n ASN 13 N 0.00 -7.80 0.00 1.62 5.03 -1.26 -5.01 115.26 107.84 1r9p n ASN 13 Ca 0.00 0.79 0.00 0.00 0.87 0.00 0.00 54.58 56.24 1r9p n ASN 13 Cb 0.00 -5.04 0.00 0.00 -1.02 0.00 0.00 39.78 33.72 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1r9p n PRO 14 N 0.09 1.42 -3.61 3.52 -0.02 -1.26 -4.92 135.00 130.22 1r9p n PRO 14 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 1r9p n PRO 14 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.74 1r9p n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r9p s ARG 15 N 0.00 3.89 0.00 -0.52 1.81 -1.26 -5.08 118.95 117.79 1r9p s ARG 15 Ca 0.00 0.18 0.00 0.00 -1.72 0.00 0.00 55.73 54.19 1r9p s ARG 15 Cb 0.00 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.23 1r9p s ARG 15 CO 0.00 0.58 0.00 0.09 -0.68 0.00 0.00 175.30 175.29 1r9p n ASN 16 N 2.39 0.00 -4.77 0.23 5.03 -1.26 -4.85 115.26 112.03 1r9p n ASN 16 Ca -0.15 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.93 1r9p n ASN 16 Cb 0.53 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1r9p n ASN 16 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1r9p s VAL 17 N 0.00 2.97 0.33 2.41 1.01 -1.26 -4.90 120.40 120.96 1r9p s VAL 17 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1r9p s VAL 17 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1r9p s VAL 17 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1r9p n GLY 18 N 0.49 -0.98 3.92 4.51 0.00 -1.26 -5.12 105.19 106.74 1r9p n GLY 18 Ca 0.08 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 1r9p n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9p s SER 19 N -3.50 5.63 0.00 1.61 0.01 -1.26 -5.07 113.70 111.12 1r9p s SER 19 Ca 0.00 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1r9p s SER 19 Cb 0.00 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1r9p s SER 19 CO 0.00 -1.03 0.00 0.18 0.41 0.00 0.00 173.24 172.80 1r9p n LEU 20 N -2.55 0.36 -3.80 2.44 4.32 -1.26 -5.00 117.00 111.51 1r9p n LEU 20 Ca 0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.87 1r9p n LEU 20 Cb 0.57 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.21 1r9p n LEU 20 CO 0.53 0.00 -0.36 -1.81 -1.22 0.00 0.00 177.39 174.52 1r9p s ASP 21 N -1.00 0.28 0.39 -1.43 1.01 -1.26 -5.01 116.67 109.65 1r9p s ASP 21 Ca 0.00 -0.00 0.24 0.00 0.71 0.00 0.00 52.55 53.50 1r9p s ASP 21 Cb 0.00 -0.16 1.37 0.00 1.01 0.00 0.00 42.92 45.14 1r9p s ASP 21 CO 0.00 -0.11 1.59 0.11 0.21 0.00 0.00 175.17 176.97 1r9p h LYS 22 N 7.27 0.03 -2.14 8.23 1.57 -1.94 0.21 116.57 129.79 1r9p h LYS 22 Ca -0.44 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 1r9p h LYS 22 Cb 1.13 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1r9p h LYS 22 CO 0.48 0.02 -0.19 1.17 -0.57 0.00 0.00 179.45 180.36 1r9p n LYS 23 N -5.08 1.49 -4.86 3.15 4.81 -1.26 -4.79 118.16 111.62 1r9p n LYS 23 Ca 0.38 -0.66 -0.26 0.00 -0.87 0.00 0.00 58.31 56.89 1r9p n LYS 23 Cb 1.35 -1.75 -0.16 0.00 0.02 0.00 0.00 35.03 34.48 1r9p n LYS 23 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r9p s ASP 24 N 2.14 2.21 0.00 3.14 -1.08 0.75 -4.99 116.67 118.84 1r9p s ASP 24 Ca 0.44 -0.36 0.18 0.00 -0.52 0.00 0.00 52.55 52.29 1r9p s ASP 24 Cb 0.21 -0.61 1.02 0.00 -1.46 0.00 0.00 42.92 42.08 1r9p s ASP 24 CO 0.00 0.16 1.49 -0.24 0.52 0.00 0.00 175.17 177.10 1r9p n SER 25 N 3.13 0.00 -1.35 -0.34 2.88 -1.26 -2.09 113.62 114.59 1r9p n SER 25 Ca -0.18 -0.39 0.08 0.00 -1.33 0.00 0.00 58.87 57.05 1r9p n SER 25 Cb 0.53 -0.08 0.32 0.00 -0.75 0.00 0.00 64.21 64.22 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r9p n ASN 26 N -1.08 4.62 -3.29 -3.46 3.02 -1.26 -4.79 115.26 109.01 1r9p n ASN 26 Ca 0.12 -2.78 -0.08 0.00 -0.03 0.00 0.00 54.58 51.80 1r9p n ASN 26 Cb 0.08 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.45 -0.65 0.39 2.41 1.01 -0.89 -2.29 120.40 117.93 1r9p s VAL 27 Ca 0.47 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1r9p s VAL 27 Cb 0.35 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 1r9p s VAL 27 CO 0.15 -0.28 0.85 -0.83 0.00 0.00 0.00 175.10 174.99 1r9p s GLY 28 N 2.31 2.29 0.09 4.51 0.00 -1.10 -4.65 107.32 110.77 1r9p s GLY 28 Ca 0.11 0.17 0.07 0.00 0.00 0.00 0.00 44.72 45.08 1r9p s GLY 28 CO -0.23 0.41 -0.18 -1.59 0.00 0.00 0.00 173.10 171.51 1r9p s THR 29 N -2.17 1.45 -0.04 0.90 2.01 -1.26 -2.42 115.64 114.13 1r9p s THR 29 Ca 0.57 -1.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 1r9p s THR 29 Cb -0.10 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.07 1r9p s THR 29 CO 0.19 -0.16 0.02 -0.83 -0.69 0.00 0.00 174.62 173.15 1r9p s GLY 30 N -1.90 0.23 -0.10 4.40 0.00 -0.62 -3.62 107.32 105.72 1r9p s GLY 30 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1r9p s GLY 30 CO 0.03 0.86 -0.09 -0.29 0.00 0.00 0.00 173.10 173.61 1r9p s MET 31 N 1.40 1.57 0.14 2.90 1.75 -1.26 -0.94 119.30 124.86 1r9p s MET 31 Ca -0.05 -0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1r9p s MET 31 Cb -0.13 -1.51 -0.04 0.00 2.84 0.00 0.00 34.83 35.99 1r9p s MET 31 CO -0.03 -0.17 0.08 0.14 -0.65 0.00 0.00 175.02 174.40 1r9p s VAL 32 N 1.35 0.09 0.17 10.11 -7.23 -0.04 -5.01 120.40 119.84 1r9p s VAL 32 Ca -0.02 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1r9p s VAL 32 Cb -0.14 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1r9p s VAL 32 CO -0.04 -0.40 0.24 -0.83 -0.31 0.00 0.00 175.10 173.75 1r9p s GLY 33 N -3.05 0.66 -0.02 2.32 0.00 -1.26 -0.45 107.32 105.51 1r9p s GLY 33 Ca 0.25 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1r9p s GLY 33 CO 0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 173.10 172.15 1r9p s ALA 34 N -4.00 0.33 0.09 3.20 0.00 -0.96 -4.95 121.76 115.48 1r9p s ALA 34 Ca 0.20 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 1r9p s ALA 34 Cb 0.04 -0.26 -0.19 0.00 0.00 0.00 0.00 23.12 22.72 1r9p s ALA 34 CO 0.02 -0.02 1.22 -1.00 0.00 0.00 0.00 175.76 175.98 1r9p h PRO 35 N 6.92 0.56 -0.00 0.00 0.13 -1.94 0.22 132.00 137.89 1r9p h PRO 35 Ca -0.38 -0.63 0.03 0.00 -0.87 0.00 0.00 66.00 64.15 1r9p h PRO 35 Cb 1.15 0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1r9p h PRO 35 CO 0.49 1.24 -0.40 0.00 -0.23 0.00 0.00 178.00 179.10 1r9p h ALA 36 N 0.53 -0.62 -0.01 -0.56 0.00 -1.98 -1.56 119.26 115.05 1r9p h ALA 36 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r9p h ALA 36 Cb 1.69 0.70 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1r9p h ALA 36 CO 0.19 -0.93 -0.27 0.00 0.00 0.00 0.00 179.25 178.25 1r9p n GLY 38 N 1.34 -0.28 3.25 0.00 0.00 0.73 -4.82 105.19 105.41 1r9p n GLY 38 Ca 0.12 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 2.72 -0.22 1.61 2.15 -0.90 -4.96 116.67 112.94 1r9p s ASP 39 Ca 0.17 -0.42 -0.17 0.00 0.43 0.00 0.00 52.55 52.55 1r9p s ASP 39 Cb -0.09 -0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 42.12 1r9p s ASP 39 CO 0.89 0.27 0.47 0.68 -0.17 0.00 0.00 175.17 177.31 1r9p s VAL 40 N -0.47 5.13 0.02 1.11 -7.23 -1.26 -2.27 120.40 115.43 1r9p s VAL 40 Ca 0.07 0.83 0.05 0.00 -1.81 0.00 0.00 61.98 61.13 1r9p s VAL 40 Cb -0.10 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1r9p s VAL 40 CO -0.00 0.17 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.51 1r9p s MET 41 N 1.74 2.29 -0.16 4.82 1.75 0.41 -4.36 119.30 125.78 1r9p s MET 41 Ca 0.21 -0.86 -0.06 0.00 -1.25 0.00 0.00 55.69 53.73 1r9p s MET 41 Cb -0.15 -2.32 0.08 0.00 2.84 0.00 0.00 34.83 35.27 1r9p s MET 41 CO 0.09 0.57 0.33 -1.14 -0.65 0.00 0.00 175.02 174.22 1r9p s GLN 42 N -1.41 0.23 -0.06 4.11 0.74 -0.19 -0.86 119.66 122.22 1r9p s GLN 42 Ca 0.16 0.88 0.03 0.00 0.05 0.00 0.00 55.36 56.47 1r9p s GLN 42 Cb -0.11 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.15 1r9p s GLN 42 CO 0.06 -0.27 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.23 1r9p s LEU 43 N 2.50 1.69 0.18 3.68 0.20 -0.11 -1.48 118.68 125.33 1r9p s LEU 43 Ca -0.00 -0.31 0.09 0.00 0.69 0.00 0.00 54.13 54.61 1r9p s LEU 43 Cb -0.12 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 1r9p s LEU 43 CO -0.10 0.05 -0.20 -1.10 -0.29 0.00 0.00 176.35 174.71 1r9p s GLN 44 N 0.57 1.34 -0.02 1.98 -0.21 0.34 -1.58 119.66 122.08 1r9p s GLN 44 Ca -0.13 -1.45 0.03 0.00 0.02 0.00 0.00 55.36 53.83 1r9p s GLN 44 Cb -0.15 -1.46 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 1r9p s GLN 44 CO 0.04 0.30 -0.09 0.96 -2.12 0.00 0.00 175.29 174.37 1r9p s ILE 45 N -1.98 0.77 0.02 1.08 -4.36 -1.01 -0.20 121.20 115.53 1r9p s ILE 45 Ca 0.17 -0.39 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1r9p s ILE 45 Cb -0.06 -0.67 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 1r9p s ILE 45 CO 0.08 0.23 0.13 -0.75 0.24 0.00 0.00 174.94 174.87 1r9p s LYS 46 N -0.02 3.21 -0.15 0.37 2.20 -1.02 -2.71 119.74 121.62 1r9p s LYS 46 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1r9p s LYS 46 Cb -0.06 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1r9p s LYS 46 CO 0.00 0.64 -0.14 0.08 -0.36 0.00 0.00 175.35 175.56 1r9p s VAL 47 N -1.32 2.79 0.00 4.02 1.01 -0.97 -2.96 120.40 122.96 1r9p s VAL 47 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1r9p s VAL 47 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1r9p s VAL 47 CO 0.19 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 175.14 1r9p n ASP 48 N 3.94 0.00 -0.66 3.32 -0.08 -0.96 -4.87 116.55 117.23 1r9p n ASP 48 Ca -0.19 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.07 1r9p n ASP 48 Cb 0.52 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1r9p n ASP 49 N 0.00 -0.32 -0.49 1.67 8.00 -1.26 -4.92 116.55 119.22 1r9p n ASP 49 Ca 0.00 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1r9p n ASP 49 Cb 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1r9p n ASP 49 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1r9p n ASN 50 N 0.00 0.00 0.00 -2.24 6.94 -1.26 -4.96 115.26 113.74 1r9p n ASN 50 Ca -0.09 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1r9p n ASN 50 Cb 0.57 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r9p n GLY 51 N 0.00 0.64 3.95 4.83 0.00 -1.26 -5.02 105.19 108.33 1r9p n GLY 51 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.53 5.31 -0.42 -0.61 -1.09 -1.26 -2.41 121.20 118.19 1r9p s ILE 52 Ca 0.00 -0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 1r9p s ILE 52 Cb 0.00 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1r9p s ILE 52 CO 0.00 -0.14 0.34 -0.63 -1.23 0.00 0.00 174.94 173.28 1r9p s ILE 53 N -1.80 5.21 0.17 2.92 1.01 -0.57 -2.27 121.20 125.88 1r9p s ILE 53 Ca 0.35 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1r9p s ILE 53 Cb -0.11 -3.97 0.07 0.00 0.01 0.00 0.00 42.46 38.46 1r9p s ILE 53 CO 0.29 -0.35 1.67 -0.08 0.00 0.00 0.00 174.94 176.46 1r9p h GLU 54 N 8.66 0.99 -3.18 2.79 4.22 -1.88 0.35 114.58 126.53 1r9p h GLU 54 Ca -0.27 -0.26 0.02 0.00 0.08 0.00 0.00 59.36 58.93 1r9p h GLU 54 Cb 1.12 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 1r9p h GLU 54 CO 0.75 0.92 0.12 0.16 -2.18 0.00 0.00 179.01 178.79 1r9p s ASP 55 N -6.36 -0.27 -0.05 1.04 -4.77 -1.26 -4.54 116.67 100.45 1r9p s ASP 55 Ca -0.12 -0.56 0.02 0.00 -3.30 0.00 0.00 52.55 48.58 1r9p s ASP 55 Cb 0.13 0.66 0.02 0.00 -1.09 0.00 0.00 42.92 42.63 1r9p s ASP 55 CO 0.83 -1.20 -0.08 0.00 0.70 0.00 0.00 175.17 175.42 1r9p s ALA 56 N -3.91 0.95 -0.20 2.11 0.00 -1.26 -2.45 121.76 117.00 1r9p s ALA 56 Ca 0.11 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 1r9p s ALA 56 Cb -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1r9p s ALA 56 CO 0.03 0.05 0.36 0.15 0.00 0.00 0.00 175.76 176.35 1r9p s LYS 57 N 0.78 4.17 0.23 0.00 -0.14 0.72 -4.96 119.74 120.55 1r9p s LYS 57 Ca -0.13 0.13 0.10 0.00 -1.36 0.00 0.00 55.97 54.71 1r9p s LYS 57 Cb -0.15 -3.53 -0.04 0.00 -1.68 0.00 0.00 37.83 32.43 1r9p s LYS 57 CO 0.02 -0.00 -0.07 -0.59 -0.76 0.00 0.00 175.35 173.95 1r9p s PHE 58 N 1.21 2.61 -0.30 3.18 -0.71 -1.26 -0.51 117.98 122.20 1r9p s PHE 58 Ca 0.17 -0.24 -0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1r9p s PHE 58 Cb -0.14 -1.20 0.19 0.00 -1.21 0.00 0.00 43.02 40.66 1r9p s PHE 58 CO 0.07 0.59 0.78 0.21 -1.34 0.00 0.00 175.22 175.53 1r9p s LYS 59 N -3.30 0.40 -0.30 1.99 2.20 -0.55 -4.97 119.74 115.21 1r9p s LYS 59 Ca 0.28 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 56.16 1r9p s LYS 59 Cb -0.07 0.17 0.17 0.00 -1.51 0.00 0.00 37.83 36.59 1r9p s LYS 59 CO 0.17 -0.74 0.77 -0.08 -0.36 0.00 0.00 175.35 175.11 1r9p s THR 60 N 2.81 -0.78 -0.26 3.43 -1.32 -1.26 -1.02 115.64 117.23 1r9p s THR 60 Ca 0.17 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1r9p s THR 60 Cb -0.06 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.02 1r9p s THR 60 CO -0.24 0.00 0.10 -0.31 -2.21 0.00 0.00 174.62 171.97 1r9p s TYR 61 N 2.83 0.69 0.00 9.09 2.02 -1.26 -4.80 117.35 125.92 1r9p s TYR 61 Ca 0.08 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 1r9p s TYR 61 Cb -0.12 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 1r9p s TYR 61 CO -0.18 -0.76 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 1r9p n GLY 62 N 5.14 0.00 3.99 0.71 0.00 -1.26 -4.85 105.19 108.92 1r9p n GLY 62 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 0.13 0.00 0.00 0.00 -1.26 -4.68 105.19 96.40 1r9p n GLY 64 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9p n SER 65 N -1.30 0.00 0.00 1.61 3.41 -1.26 -4.79 113.62 111.30 1r9p n SER 65 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1r9p n SER 65 Cb 0.14 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.72 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p n ALA 66 N 0.00 2.34 -0.16 7.33 0.00 -1.26 -3.48 120.51 125.27 1r9p n ALA 66 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1r9p n ALA 66 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 17.98 1r9p n ALA 66 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1r9p h ILE 67 N 0.00 1.27 0.00 0.00 2.10 -1.86 -2.84 117.51 116.17 1r9p h ILE 67 Ca 0.00 -1.29 -0.15 0.00 1.08 0.00 0.00 64.86 64.50 1r9p h ILE 67 Cb 0.48 1.11 -0.02 0.00 -1.09 0.00 0.00 36.82 37.30 1r9p h ILE 67 CO 0.00 0.45 -0.73 0.00 -1.08 0.00 0.00 178.15 176.79 1r9p h ALA 68 N 0.88 0.68 0.87 0.18 0.00 -1.93 -3.32 119.26 116.63 1r9p h ALA 68 Ca 0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1r9p h ALA 68 Cb 0.71 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1r9p h ALA 68 CO 0.05 0.91 -0.42 0.66 0.00 0.00 0.00 179.25 180.45 1r9p h SER 69 N 0.00 -0.99 -0.74 0.00 4.64 -1.59 -2.36 113.55 112.51 1r9p h SER 69 Ca -0.01 0.03 0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1r9p h SER 69 Cb 1.39 0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 63.59 1r9p h SER 69 CO 0.09 -0.71 -0.07 -1.20 -0.87 0.00 0.00 176.83 174.08 1r9p n SER 70 N -5.59 -0.16 -0.07 4.97 7.64 -1.09 0.17 113.62 119.49 1r9p n SER 70 Ca -0.16 1.26 -0.11 0.00 1.01 0.00 0.00 58.87 60.88 1r9p n SER 70 Cb 0.47 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 1r9p n SER 70 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1r9p h SER 71 N 0.00 0.34 0.00 6.43 0.87 -1.63 -1.41 113.55 118.15 1r9p h SER 71 Ca 0.41 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1r9p h SER 71 Cb 0.76 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1r9p h SER 71 CO -0.72 0.51 0.00 -0.11 -0.53 0.00 0.00 176.83 175.98 1r9p n LEU 72 N -4.73 0.17 -0.38 2.23 7.94 0.45 -1.65 117.00 121.03 1r9p n LEU 72 Ca -0.04 0.75 -0.05 0.00 -1.11 0.00 0.00 56.01 55.57 1r9p n LEU 72 Cb 0.19 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 43.78 1r9p n LEU 72 CO 0.36 -0.34 0.52 0.00 -1.11 0.00 0.00 177.39 176.82 1r9p n ILE 73 N -1.53 -0.57 -0.27 1.96 3.06 0.06 0.11 119.36 122.19 1r9p n ILE 73 Ca 0.00 2.28 0.08 0.00 -2.50 0.00 0.00 62.75 62.61 1r9p n ILE 73 Cb 0.00 -2.93 0.21 0.00 0.54 0.00 0.00 39.64 37.46 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 0.38 0.00 9.51 1.35 -1.29 1.76 112.91 124.62 1r9p h THR 74 Ca 0.26 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1r9p h THR 74 Cb 0.50 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1r9p h THR 74 CO -0.93 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 173.75 1r9p n GLU 75 N -5.25 0.16 -0.01 4.72 1.02 0.31 -2.38 120.64 119.20 1r9p n GLU 75 Ca 0.16 0.40 -0.10 0.00 -0.02 0.00 0.00 57.16 57.60 1r9p n GLU 75 Cb 0.54 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1r9p n GLU 75 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1r9p h TRP 76 N 0.00 0.07 -0.71 -0.32 4.06 0.42 -3.35 115.95 116.12 1r9p h TRP 76 Ca 0.00 -0.05 -0.40 0.00 2.06 0.00 0.00 58.89 60.50 1r9p h TRP 76 Cb 0.34 -0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 28.27 1r9p h TRP 76 CO 0.00 1.11 0.26 1.33 -3.56 0.00 0.00 178.44 177.58 1r9p n VAL 77 N -3.12 2.94 -3.55 1.49 0.24 -0.06 -4.76 118.33 111.51 1r9p n VAL 77 Ca -0.18 -2.60 -0.41 0.00 -2.04 0.00 0.00 64.34 59.11 1r9p n VAL 77 Cb 1.05 -0.55 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1r9p s LYS 78 N -3.38 2.59 0.00 7.34 1.02 -1.00 -4.29 119.74 122.02 1r9p s LYS 78 Ca 0.52 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1r9p s LYS 78 Cb 0.45 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1r9p s LYS 78 CO 0.04 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.77 1r9p n GLY 79 N 4.95 0.87 2.32 -3.33 0.00 0.11 -5.02 105.19 105.10 1r9p n GLY 79 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.15 0.17 -3.93 1.61 4.76 -1.26 -4.60 118.16 112.75 1r9p n LYS 80 Ca 0.00 -1.62 -0.31 0.00 -2.87 0.00 0.00 58.31 53.50 1r9p n LYS 80 Cb 0.00 -0.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.74 1r9p n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r9p s SER 81 N -3.44 6.27 0.66 4.39 0.15 -1.26 -1.51 113.70 118.95 1r9p s SER 81 Ca 0.40 0.26 0.36 0.00 0.70 0.00 0.00 55.95 57.66 1r9p s SER 81 Cb -0.02 -1.91 1.96 0.00 -1.71 0.00 0.00 66.02 64.34 1r9p s SER 81 CO 0.26 0.19 2.11 -0.07 1.20 0.00 0.00 173.24 176.93 1r9p h LEU 82 N 3.28 0.00 0.15 3.45 3.38 -1.84 -1.50 115.31 122.23 1r9p h LEU 82 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1r9p h LEU 82 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1r9p h LEU 82 CO 0.73 0.00 -0.07 -0.08 0.09 0.00 0.00 178.44 179.11 1r9p h GLU 83 N 0.00 -0.19 0.36 1.13 4.57 -1.92 -1.18 114.58 117.35 1r9p h GLU 83 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1r9p h GLU 83 Cb 0.38 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1r9p h GLU 83 CO 0.00 0.05 -0.17 0.93 -1.18 0.00 0.00 179.01 178.63 1r9p h GLU 84 N -0.41 -0.47 -0.90 1.92 5.08 -1.68 -3.10 114.58 115.03 1r9p h GLU 84 Ca -0.02 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.62 1r9p h GLU 84 Cb 0.32 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.53 1r9p h GLU 84 CO 0.03 -0.15 0.25 0.00 -1.00 0.00 0.00 179.01 178.14 1r9p h ALA 85 N -0.48 1.33 -0.27 3.43 0.00 -1.54 0.16 119.26 121.89 1r9p h ALA 85 Ca -0.05 0.23 -0.44 0.00 0.00 0.00 0.00 54.91 54.65 1r9p h ALA 85 Cb 0.54 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1r9p h ALA 85 CO 0.08 -0.49 0.87 0.41 0.00 0.00 0.00 179.25 180.12 1r9p n GLY 86 N -1.38 3.93 0.82 0.00 0.00 -0.45 -3.87 105.19 104.24 1r9p n GLY 86 Ca 0.22 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 2.01 0.00 -0.84 4.61 0.00 0.47 -4.93 120.51 121.82 1r9p n ALA 87 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 1r9p n ALA 87 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.90 0.00 -4.56 0.00 -5.35 -0.73 -4.97 119.36 101.86 1r9p n ILE 88 Ca 0.00 -0.40 -0.26 0.00 -0.27 0.00 0.00 62.75 61.82 1r9p n ILE 88 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 1r9p n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1r9p s LYS 89 N -1.46 1.84 0.37 6.28 1.02 -1.26 -5.02 119.74 121.51 1r9p s LYS 89 Ca 0.35 -2.01 0.23 0.00 0.02 0.00 0.00 55.97 54.55 1r9p s LYS 89 Cb -0.19 -1.48 0.23 0.00 -0.52 0.00 0.00 37.83 35.87 1r9p s LYS 89 CO 0.64 -0.02 1.44 -2.95 -0.92 0.00 0.00 175.35 173.54 1r9p h ASN 90 N 1.93 0.00 -0.96 2.83 -1.07 -1.93 -3.30 115.58 113.08 1r9p h ASN 90 Ca -0.43 0.00 0.16 0.00 0.07 0.00 0.00 56.30 56.11 1r9p h ASN 90 Cb 1.24 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 37.39 1r9p h ASN 90 CO 0.75 0.02 0.57 0.77 0.07 0.00 0.00 177.43 179.61 1r9p h SER 91 N 0.00 0.74 0.00 6.14 4.64 -1.95 0.11 113.55 123.23 1r9p h SER 91 Ca -0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1r9p h SER 91 Cb 1.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1r9p h SER 91 CO 0.00 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 1r9p n GLN 92 N -4.76 0.00 -0.33 4.77 1.13 -1.24 -0.74 117.38 116.20 1r9p n GLN 92 Ca 0.21 0.45 0.30 0.00 -1.94 0.00 0.00 57.00 56.02 1r9p n GLN 92 Cb 0.48 -1.28 0.56 0.00 0.11 0.00 0.00 30.24 30.12 1r9p n GLN 92 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1r9p h ILE 93 N 0.00 0.10 0.21 5.09 2.04 -1.69 0.37 117.51 123.63 1r9p h ILE 93 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1r9p h ILE 93 Cb 0.00 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1r9p h ILE 93 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 178.15 178.07 1r9p h ALA 94 N 1.92 -0.28 -0.70 1.87 0.00 -0.73 -2.41 119.26 118.93 1r9p h ALA 94 Ca 0.81 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.70 1r9p h ALA 94 Cb 2.10 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.89 1r9p h ALA 94 CO -0.69 -0.50 0.03 1.49 0.00 0.00 0.00 179.25 179.58 1r9p h GLU 95 N -0.60 0.13 -0.86 0.00 4.81 0.19 1.30 114.58 119.54 1r9p h GLU 95 Ca -0.03 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1r9p h GLU 95 Cb 0.44 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1r9p h GLU 95 CO 0.05 0.09 0.57 1.49 -0.73 0.00 0.00 179.01 180.48 1r9p h GLU 96 N 0.13 1.13 0.00 1.92 4.81 -1.24 -1.71 114.58 119.62 1r9p h GLU 96 Ca 0.38 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 1r9p h GLU 96 Cb 0.65 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1r9p h GLU 96 CO -0.59 0.75 -0.64 -0.07 -0.73 0.00 0.00 179.01 177.72 1r9p h LEU 97 N 1.16 0.00 -3.06 1.64 3.38 0.22 -3.48 115.31 115.17 1r9p h LEU 97 Ca 0.32 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.99 1r9p h LEU 97 Cb -0.12 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.67 1r9p h LEU 97 CO -0.07 0.64 -0.67 1.21 0.09 0.00 0.00 178.44 179.64 1r9p n GLU 98 N -3.28 -1.38 -4.48 1.13 0.00 0.40 -4.98 120.64 108.06 1r9p n GLU 98 Ca 0.01 0.90 -0.31 0.00 0.00 0.00 0.00 57.16 57.76 1r9p n GLU 98 Cb 0.79 -4.21 -0.11 0.00 0.00 0.00 0.00 31.44 27.91 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1r9p s LEU 99 N -5.19 3.02 0.73 4.31 2.34 -1.26 -5.08 118.68 117.55 1r9p s LEU 99 Ca 0.18 -0.25 -0.16 0.00 0.06 0.00 0.00 54.13 53.97 1r9p s LEU 99 Cb -0.06 -1.75 0.04 0.00 -0.56 0.00 0.00 46.19 43.85 1r9p s LEU 99 CO 0.83 0.26 1.24 -2.16 -1.06 0.00 0.00 176.35 175.47 1r9p s PRO 100 N -1.54 2.08 0.00 1.48 0.04 -1.26 -4.87 135.00 130.94 1r9p s PRO 100 Ca 0.17 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1r9p s PRO 100 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1r9p s PRO 100 CO 0.08 -1.91 0.54 -0.35 0.04 0.00 0.00 177.00 175.40 1r9p n PRO 101 N -2.63 0.57 -0.01 0.56 -0.04 -1.26 -3.27 135.00 128.92 1r9p n PRO 101 Ca 0.15 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1r9p n PRO 101 Cb 0.49 -1.03 0.67 0.00 -0.04 0.00 0.00 33.50 33.59 1r9p n PRO 101 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1r9p n VAL 102 N -0.42 0.03 0.00 0.52 3.14 -1.26 -4.31 118.33 116.04 1r9p n VAL 102 Ca 0.00 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1r9p n VAL 102 Cb 0.02 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 1r9p n VAL 102 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1r9p n LYS 103 N -0.58 0.00 0.00 1.45 2.85 -1.20 -4.99 118.16 115.69 1r9p n LYS 103 Ca 0.19 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.53 1r9p n LYS 103 Cb 0.16 0.00 0.40 0.00 -0.65 0.00 0.00 35.03 34.94 1r9p n LYS 103 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1r9p n VAL 104 N 0.00 0.69 -0.38 0.58 3.14 -1.26 -3.79 118.33 117.31 1r9p n VAL 104 Ca 0.00 0.17 -0.04 0.00 -2.96 0.00 0.00 64.34 61.52 1r9p n VAL 104 Cb 0.00 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 1r9p n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r9p n HIS 105 N -1.44 -0.10 -0.23 1.45 1.44 -1.26 -0.81 115.22 114.27 1r9p n HIS 105 Ca 0.06 1.20 -0.06 0.00 -2.01 0.00 0.00 57.72 56.91 1r9p n HIS 105 Cb 0.19 -0.78 -0.05 0.00 0.12 0.00 0.00 29.99 29.47 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 -0.59 -0.59 0.00 4.64 -1.28 -2.58 113.55 113.15 1r9p h SER 107 Ca 0.10 -0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 1r9p h SER 107 Cb 0.24 0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 62.37 1r9p h SER 107 CO -0.53 -0.36 -0.32 0.40 -0.87 0.00 0.00 176.83 175.15 1r9p h ILE 108 N -0.79 0.18 -0.90 0.95 1.08 -0.01 0.26 117.51 118.28 1r9p h ILE 108 Ca -0.07 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.56 1r9p h ILE 108 Cb 0.58 0.18 -0.10 0.00 -3.07 0.00 0.00 36.82 34.41 1r9p h ILE 108 CO 0.12 0.00 0.49 0.25 -0.69 0.00 0.00 178.15 178.31 1r9p h LEU 109 N -0.16 0.59 0.31 1.44 5.85 -0.44 0.15 115.31 123.05 1r9p h LEU 109 Ca 0.24 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1r9p h LEU 109 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1r9p h LEU 109 CO -0.68 0.22 -0.25 0.00 -0.34 0.00 0.00 178.44 177.39 1r9p h ALA 110 N 1.60 -1.01 -0.87 1.25 0.00 -0.07 0.18 119.26 120.33 1r9p h ALA 110 Ca 0.51 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.42 1r9p h ALA 110 Cb 0.76 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1r9p h ALA 110 CO -0.38 -1.01 0.50 1.49 0.00 0.00 0.00 179.25 179.85 1r9p h GLU 111 N -0.54 0.77 0.00 0.00 4.81 -1.06 0.25 114.58 118.81 1r9p h GLU 111 Ca -0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1r9p h GLU 111 Cb 0.45 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1r9p h GLU 111 CO 0.01 0.51 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.34 1r9p h ASP 112 N 0.80 0.00 0.47 1.04 5.19 -0.35 -2.35 116.42 121.22 1r9p h ASP 112 Ca 0.44 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1r9p h ASP 112 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1r9p h ASP 112 CO -0.28 0.02 -0.23 0.00 -3.12 0.00 0.00 179.24 175.64 1r9p h ALA 113 N 1.98 -0.65 -1.03 3.45 0.00 0.26 -0.86 119.26 122.41 1r9p h ALA 113 Ca -0.00 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.03 1r9p h ALA 113 Cb 0.04 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 1r9p h ALA 113 CO 0.00 -0.60 0.64 0.97 0.00 0.00 0.00 179.25 180.26 1r9p h ILE 114 N -1.14 0.54 -0.04 0.00 6.09 -1.32 0.85 117.51 122.49 1r9p h ILE 114 Ca -0.06 -0.17 -0.13 0.00 -1.37 0.00 0.00 64.86 63.13 1r9p h ILE 114 Cb 0.48 0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.76 1r9p h ILE 114 CO 0.11 0.09 -0.57 0.11 -3.07 0.00 0.00 178.15 174.81 1r9p h LYS 115 N 0.49 0.13 -0.23 2.19 1.79 -1.40 -2.45 116.57 117.09 1r9p h LYS 115 Ca 0.62 -0.08 -0.21 0.00 -2.18 0.00 0.00 60.65 58.80 1r9p h LYS 115 Cb 1.37 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1r9p h LYS 115 CO -0.38 0.66 -0.66 0.00 -1.08 0.00 0.00 179.45 178.00 1r9p h ALA 116 N 1.32 0.39 -0.51 3.86 0.00 0.21 -1.49 119.26 123.04 1r9p h ALA 116 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1r9p h ALA 116 Cb 1.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1r9p h ALA 116 CO 0.08 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 180.01 1r9p h ALA 117 N 0.62 1.04 -0.11 0.00 0.00 -0.83 -1.28 119.26 118.70 1r9p h ALA 117 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1r9p h ALA 117 Cb 1.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1r9p h ALA 117 CO 0.14 0.60 -0.13 0.82 0.00 0.00 0.00 179.25 180.68 1r9p h ILE 118 N 0.79 1.36 -0.19 0.00 2.04 -1.38 -1.99 117.51 118.15 1r9p h ILE 118 Ca 0.15 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1r9p h ILE 118 Cb 0.48 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1r9p h ILE 118 CO 0.02 0.38 0.02 0.00 0.00 0.00 0.00 178.15 178.56 1r9p h ALA 119 N 0.57 0.17 -0.44 1.87 0.00 -1.13 -1.13 119.26 119.18 1r9p h ALA 119 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r9p h ALA 119 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1r9p h ALA 119 CO 0.03 -0.42 0.29 -0.44 0.00 0.00 0.00 179.25 178.71 1r9p h ASP 120 N 0.08 0.49 -0.48 0.00 5.19 -1.24 0.18 116.42 120.64 1r9p h ASP 120 Ca 0.09 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 1r9p h ASP 120 Cb 0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 1r9p h ASP 120 CO -0.13 0.36 0.10 0.22 -3.12 0.00 0.00 179.24 176.66 1r9p h TYR 121 N 0.58 0.87 0.07 4.55 5.03 -0.44 -2.20 116.97 125.44 1r9p h TYR 121 Ca 0.16 -0.09 -0.27 0.00 2.58 0.00 0.00 58.73 61.11 1r9p h TYR 121 Cb -0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 37.97 1r9p h TYR 121 CO -0.00 0.75 -1.34 -0.22 -1.32 0.00 0.00 178.16 176.03 1r9p h LYS 122 N 0.80 0.15 0.00 1.82 3.64 -0.52 -3.20 116.57 119.26 1r9p h LYS 122 Ca 0.17 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1r9p h LYS 122 Cb 0.34 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1r9p h LYS 122 CO 0.00 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 1r9p n ALA 123 N -2.53 2.43 -0.17 5.00 0.00 0.52 -2.59 120.51 123.17 1r9p n ALA 123 Ca -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1r9p n ALA 123 Cb 1.01 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.76 2.89 -0.01 0.00 5.02 -0.85 -4.72 118.16 119.74 1r9p n LYS 124 Ca 0.10 -1.97 -0.00 0.00 -2.02 0.00 0.00 58.31 54.43 1r9p n LYS 124 Cb 0.05 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1r9p n LYS 124 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1r9p h GLN 125 N 1.60 0.00 0.00 1.97 4.20 -1.64 -3.43 115.11 117.81 1r9p h GLN 125 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r9p h GLN 125 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1r9p h GLN 125 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1r9p n GLY 126 N 1.92 0.54 0.00 3.46 0.00 -1.26 -4.98 105.19 104.87 1r9p n GLY 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.01 -0.12 0.99 4.77 -1.26 -2.39 117.00 119.00 1r9p n LEU 127 Ca 0.00 0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1r9p n LEU 127 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1r9p n LEU 127 CO 0.00 -0.40 0.68 -0.08 -1.33 0.00 0.00 177.39 176.26 1r9p h GLU 128 N 0.00 -0.18 -0.56 3.23 4.81 -1.98 -3.48 114.58 116.43 1r9p h GLU 128 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1r9p h GLU 128 Cb 0.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1r9p h GLU 128 CO 0.00 -0.12 -0.13 1.58 -0.73 0.00 0.00 179.01 179.61 1r9p n HIS 129 N -5.40 -0.65 -3.66 0.92 -0.00 -1.01 -4.82 115.22 100.59 1r9p n HIS 129 Ca 0.02 0.34 -0.28 0.00 0.46 0.00 0.00 57.72 58.26 1r9p n HIS 129 Cb 0.32 -1.75 0.04 0.00 -0.12 0.00 0.00 29.99 28.48 1r9p n HIS 129 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r9p n HIS 130 N -0.43 -1.94 -2.90 1.57 -0.00 -1.26 -4.91 115.22 105.35 1r9p n HIS 130 Ca 0.00 0.56 -0.40 0.00 -0.00 0.00 0.00 57.72 57.87 1r9p n HIS 130 Cb 0.00 -3.63 -0.05 0.00 -0.00 0.00 0.00 29.99 26.31 1r9p n HIS 130 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1r9p s HIS 131 N -3.52 3.74 -0.14 1.57 -3.43 -1.26 -4.95 115.29 107.30 1r9p s HIS 131 Ca 0.39 1.56 -0.07 0.00 -0.80 0.00 0.00 55.06 56.15 1r9p s HIS 131 Cb -0.13 -2.90 -0.06 0.00 -1.43 0.00 0.00 32.58 28.06 1r9p s HIS 131 CO 0.85 0.22 -0.18 1.58 -2.00 0.00 0.00 174.74 175.21 1r9p n HIS 132 N 2.94 0.00 -3.19 0.38 -0.00 -1.26 -5.05 115.22 109.03 1r9p n HIS 132 Ca -0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.22 1r9p n HIS 132 Cb 0.50 -0.52 -0.03 0.00 -0.12 0.00 0.00 29.99 29.83 1r9p n HIS 132 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1r9p s HIS 133 N -2.26 -0.32 0.00 1.57 5.65 -1.26 -5.31 115.29 113.36 1r9p s HIS 133 Ca -0.20 0.42 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1r9p s HIS 133 Cb 0.07 0.14 0.00 0.00 -1.18 0.00 0.00 32.58 31.62 1r9p s HIS 133 CO 0.26 -0.17 0.15 0.72 -0.65 0.00 0.00 174.74 175.05