#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 4.16 0.00 3.04 0.00 -1.26 -5.04 120.51 121.41 1r9p n ALA 2 Ca 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.73 1r9p n ALA 2 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.49 0.00 0.00 0.00 4.02 -1.26 -4.33 117.16 117.08 1r9p n TYR 3 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1r9p n TYR 3 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1r9p n TYR 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r9p n SER 4 N 1.68 0.00 -4.64 7.72 2.88 -1.26 -5.08 113.62 114.92 1r9p n SER 4 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1r9p n SER 4 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1r9p n SER 4 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1r9p s GLU 5 N 0.30 2.55 -0.36 -1.46 8.01 -1.26 -5.05 118.70 121.43 1r9p s GLU 5 Ca 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 54.97 54.18 1r9p s GLU 5 Cb 0.00 -2.53 0.25 0.00 -4.31 0.00 0.00 34.13 27.54 1r9p s GLU 5 CO 0.00 0.58 1.14 1.17 0.01 0.00 0.00 175.26 178.16 1r9p n LYS 6 N 1.10 0.19 -2.82 1.61 4.81 -1.26 -5.12 118.16 116.68 1r9p n LYS 6 Ca -0.13 -0.87 -0.43 0.00 -0.87 0.00 0.00 58.31 56.01 1r9p n LYS 6 Cb 0.52 -0.26 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 1r9p n LYS 6 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1r9p s VAL 7 N 0.49 4.50 -0.01 3.15 -7.23 -1.26 -5.02 120.40 115.02 1r9p s VAL 7 Ca 0.26 0.87 0.08 0.00 -1.81 0.00 0.00 61.98 61.38 1r9p s VAL 7 Cb 0.17 -4.40 -0.02 0.00 0.56 0.00 0.00 36.38 32.69 1r9p s VAL 7 CO -0.10 -0.75 -0.26 -0.51 -0.31 0.00 0.00 175.10 173.17 1r9p s ILE 8 N 3.67 2.10 -0.37 -0.62 1.10 -1.26 -5.10 121.20 120.73 1r9p s ILE 8 Ca 0.37 -1.12 -0.17 0.00 -0.51 0.00 0.00 60.65 59.22 1r9p s ILE 8 Cb -0.11 -1.73 -0.00 0.00 0.15 0.00 0.00 42.46 40.77 1r9p s ILE 8 CO 0.24 0.56 0.42 -1.81 -2.11 0.00 0.00 174.94 172.24 1r9p s ASP 9 N -0.68 6.22 -0.15 4.50 1.01 -1.26 -5.05 116.67 121.26 1r9p s ASP 9 Ca 0.10 -0.29 -0.19 0.00 0.71 0.00 0.00 52.55 52.88 1r9p s ASP 9 Cb -0.10 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1r9p s ASP 9 CO -0.01 -0.44 0.51 -1.38 0.21 0.00 0.00 175.17 174.06 1r9p s HIS 10 N 2.16 3.46 0.00 4.23 -3.43 -1.26 -5.02 115.29 115.42 1r9p s HIS 10 Ca 0.14 0.87 0.00 0.00 -0.80 0.00 0.00 55.06 55.27 1r9p s HIS 10 Cb -0.16 -2.62 0.00 0.00 -1.43 0.00 0.00 32.58 28.37 1r9p s HIS 10 CO 0.13 0.05 0.00 0.66 -2.00 0.00 0.00 174.74 173.57 1r9p n TYR 11 N 4.15 0.00 -2.73 0.38 4.02 -1.26 -5.03 117.16 116.70 1r9p n TYR 11 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.80 1r9p n TYR 11 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1r9p n GLU 12 N 0.00 -3.72 -3.04 -0.72 4.71 -1.26 -4.98 120.64 111.64 1r9p n GLU 12 Ca 0.00 2.89 -0.23 0.00 -0.01 0.00 0.00 57.16 59.80 1r9p n GLU 12 Cb 0.00 -4.22 0.01 0.00 -1.01 0.00 0.00 31.44 26.21 1r9p n GLU 12 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1r9p s ASN 13 N -0.71 5.93 -0.46 1.62 -0.87 -1.26 -4.96 114.94 114.22 1r9p s ASN 13 Ca -0.19 0.34 -0.38 0.00 -1.57 0.00 0.00 52.86 51.06 1r9p s ASN 13 Cb 0.01 -1.64 -0.15 0.00 -0.02 0.00 0.00 41.25 39.45 1r9p s ASN 13 CO 0.63 -0.62 2.22 -2.65 -2.57 0.00 0.00 177.10 174.11 1r9p n PRO 14 N -2.03 0.59 -0.40 -0.60 -0.02 -1.26 -4.76 135.00 126.51 1r9p n PRO 14 Ca 0.00 0.15 0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1r9p n PRO 14 Cb 0.57 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1r9p n PRO 14 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1r9p n ARG 15 N 8.00 0.26 -0.13 -0.52 1.85 -1.26 -4.74 116.66 120.12 1r9p n ARG 15 Ca 0.48 -1.28 0.07 0.00 -1.00 0.00 0.00 57.85 56.12 1r9p n ARG 15 Cb 0.13 -0.69 0.13 0.00 -1.05 0.00 0.00 32.46 30.98 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1r9p n ASN 16 N -0.27 2.71 -0.00 2.89 5.15 -1.26 -4.49 115.26 119.99 1r9p n ASN 16 Ca 0.03 -1.82 -0.10 0.00 -0.60 0.00 0.00 54.58 52.09 1r9p n ASN 16 Cb 0.68 -0.17 0.05 0.00 -0.53 0.00 0.00 39.78 39.81 1r9p n ASN 16 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1r9p h VAL 17 N 2.47 1.32 0.00 3.44 2.07 -1.96 -3.38 116.25 120.20 1r9p h VAL 17 Ca 0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1r9p h VAL 17 Cb 0.69 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1r9p h VAL 17 CO 0.00 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.76 1r9p n GLY 18 N 0.27 -1.19 3.69 2.17 0.00 -1.26 -4.71 105.19 104.16 1r9p n GLY 18 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1r9p n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9p s SER 19 N -2.48 2.49 0.00 1.61 0.15 -1.26 -5.05 113.70 109.16 1r9p s SER 19 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1r9p s SER 19 Cb 0.00 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1r9p s SER 19 CO 0.00 -3.19 0.00 0.18 1.20 0.00 0.00 173.24 171.43 1r9p n LEU 20 N -4.19 0.00 -3.87 3.45 4.32 -1.26 -4.90 117.00 110.54 1r9p n LEU 20 Ca 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 1r9p n LEU 20 Cb 0.58 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.32 1r9p n LEU 20 CO 0.55 0.00 0.04 -0.62 -1.22 0.00 0.00 177.39 176.14 1r9p s ASP 21 N -0.70 -0.03 0.34 -1.43 2.15 -1.26 -5.02 116.67 110.72 1r9p s ASP 21 Ca 0.00 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.53 1r9p s ASP 21 Cb 0.00 0.45 0.80 0.00 -0.30 0.00 0.00 42.92 43.87 1r9p s ASP 21 CO 0.00 -0.89 1.75 0.07 -0.17 0.00 0.00 175.17 175.93 1r9p h LYS 22 N 2.49 0.00 -0.66 4.34 2.10 -2.00 -2.99 116.57 119.85 1r9p h LYS 22 Ca -0.32 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.04 1r9p h LYS 22 Cb 1.23 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.39 1r9p h LYS 22 CO 0.47 0.00 0.27 1.63 -2.00 0.00 0.00 179.45 179.82 1r9p n LYS 23 N -2.64 2.54 -2.59 0.07 4.76 -1.26 -4.88 118.16 114.17 1r9p n LYS 23 Ca 0.04 -3.07 -0.25 0.00 -2.87 0.00 0.00 58.31 52.15 1r9p n LYS 23 Cb 0.40 -2.04 0.03 0.00 -1.84 0.00 0.00 35.03 31.57 1r9p n LYS 23 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1r9p s ASP 24 N -1.69 5.62 0.00 4.39 2.15 -1.13 -4.98 116.67 121.03 1r9p s ASP 24 Ca 0.51 0.53 0.19 0.00 0.43 0.00 0.00 52.55 54.21 1r9p s ASP 24 Cb 0.43 -1.58 0.54 0.00 -0.30 0.00 0.00 42.92 42.02 1r9p s ASP 24 CO 0.08 -0.98 1.45 -0.24 -0.17 0.00 0.00 175.17 175.31 1r9p n SER 25 N -2.42 3.26 0.00 -0.34 2.88 -1.26 -3.96 113.62 111.77 1r9p n SER 25 Ca 0.04 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1r9p n SER 25 Cb 0.58 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 1.28 0.79 -3.85 -3.46 3.02 -1.26 -4.87 115.26 106.91 1r9p n ASN 26 Ca 0.20 -1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 53.41 1r9p n ASN 26 Cb 0.52 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.04 1.33 0.49 2.41 1.01 -1.25 -0.99 120.40 123.35 1r9p s VAL 27 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 1r9p s VAL 27 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1r9p s VAL 27 CO 0.00 -0.49 0.91 -0.83 0.00 0.00 0.00 175.10 174.69 1r9p s GLY 28 N 1.41 1.91 -0.04 4.51 0.00 -0.60 -4.59 107.32 109.92 1r9p s GLY 28 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 1r9p s GLY 28 CO -0.15 0.20 -0.00 -1.59 0.00 0.00 0.00 173.10 171.55 1r9p s THR 29 N -2.65 0.27 -0.21 0.90 2.01 -1.26 -1.79 115.64 112.92 1r9p s THR 29 Ca 0.55 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 1r9p s THR 29 Cb -0.10 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1r9p s THR 29 CO 0.36 0.19 -0.01 -0.83 -0.69 0.00 0.00 174.62 173.64 1r9p s GLY 30 N 1.29 1.68 -0.07 4.40 0.00 0.17 -3.46 107.32 111.32 1r9p s GLY 30 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1r9p s GLY 30 CO -0.02 0.29 -0.09 -0.29 0.00 0.00 0.00 173.10 172.99 1r9p s MET 31 N 1.15 1.40 0.16 2.90 0.00 -1.26 -0.54 119.30 123.11 1r9p s MET 31 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 55.69 55.44 1r9p s MET 31 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 34.83 33.38 1r9p s MET 31 CO 0.01 -0.10 0.21 1.33 0.00 0.00 0.00 175.02 176.47 1r9p n VAL 32 N 4.25 0.00 -3.61 10.11 0.24 -0.77 -5.00 118.33 123.55 1r9p n VAL 32 Ca -0.20 -0.85 -0.10 0.00 -2.04 0.00 0.00 64.34 61.16 1r9p n VAL 32 Cb 0.51 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 1r9p n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r9p s GLY 33 N -1.99 -0.21 -0.12 7.63 0.00 -1.26 -1.95 107.32 109.42 1r9p s GLY 33 Ca 0.14 2.37 -0.01 0.00 0.00 0.00 0.00 44.72 47.22 1r9p s GLY 33 CO 0.10 1.47 -0.08 0.00 0.00 0.00 0.00 173.10 174.59 1r9p s ALA 34 N -0.38 2.86 -0.08 3.20 0.00 -0.78 -4.92 121.76 121.66 1r9p s ALA 34 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1r9p s ALA 34 Cb -0.03 -1.35 -0.18 0.00 0.00 0.00 0.00 23.12 21.57 1r9p s ALA 34 CO -0.02 0.32 0.79 -1.00 0.00 0.00 0.00 175.76 175.85 1r9p h PRO 35 N 6.32 -0.10 -0.79 0.00 0.13 -1.94 0.60 132.00 136.24 1r9p h PRO 35 Ca -0.34 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.00 1r9p h PRO 35 Cb 1.19 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1r9p h PRO 35 CO 0.58 0.46 -0.04 0.00 -0.23 0.00 0.00 178.00 178.77 1r9p n ALA 36 N -2.57 0.35 -0.22 -0.56 0.00 -1.26 0.11 120.51 116.35 1r9p n ALA 36 Ca -0.08 0.85 0.04 0.00 0.00 0.00 0.00 53.44 54.25 1r9p n ALA 36 Cb 0.30 -0.59 0.11 0.00 0.00 0.00 0.00 19.45 19.26 1r9p n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r9p n GLY 38 N -0.02 -0.83 3.19 0.00 0.00 0.29 -4.65 105.19 103.18 1r9p n GLY 38 Ca 0.09 0.35 -0.34 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 -3.52 3.95 -0.26 1.61 -1.08 -0.05 -4.87 116.67 112.45 1r9p s ASP 39 Ca 0.34 -0.73 -0.22 0.00 -0.52 0.00 0.00 52.55 51.41 1r9p s ASP 39 Cb -0.19 -1.62 -0.01 0.00 -1.46 0.00 0.00 42.92 39.64 1r9p s ASP 39 CO 0.85 -0.07 0.73 0.54 0.52 0.00 0.00 175.17 177.74 1r9p s VAL 40 N 1.33 4.89 -0.20 1.11 0.11 -1.26 -1.86 120.40 124.52 1r9p s VAL 40 Ca 0.02 1.28 -0.04 0.00 -2.93 0.00 0.00 61.98 60.32 1r9p s VAL 40 Cb -0.15 -4.04 -0.01 0.00 -1.53 0.00 0.00 36.38 30.64 1r9p s VAL 40 CO -0.07 -0.07 -0.04 -0.32 -3.33 0.00 0.00 175.10 171.27 1r9p s MET 41 N 2.71 3.44 -0.36 1.54 1.75 -0.82 -4.19 119.30 123.36 1r9p s MET 41 Ca 0.30 -0.61 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 1r9p s MET 41 Cb -0.15 -2.98 0.10 0.00 2.84 0.00 0.00 34.83 34.65 1r9p s MET 41 CO 0.09 -0.09 0.08 -1.14 -0.65 0.00 0.00 175.02 173.31 1r9p s GLN 42 N 1.22 1.57 -0.21 4.11 0.74 -0.80 -1.85 119.66 124.43 1r9p s GLN 42 Ca 0.03 -1.95 -0.09 0.00 0.05 0.00 0.00 55.36 53.40 1r9p s GLN 42 Cb -0.14 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1r9p s GLN 42 CO -0.01 -0.97 0.12 -1.17 -0.55 0.00 0.00 175.29 172.71 1r9p s LEU 43 N 0.80 4.03 -0.16 3.68 2.96 0.30 -2.86 118.68 127.43 1r9p s LEU 43 Ca 0.11 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1r9p s LEU 43 Cb -0.20 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 1r9p s LEU 43 CO -0.07 0.13 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.37 1r9p s GLN 44 N 0.64 3.25 -0.03 1.98 0.74 -0.82 0.41 119.66 125.83 1r9p s GLN 44 Ca 0.06 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1r9p s GLN 44 Cb -0.12 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 1r9p s GLN 44 CO 0.01 0.02 -0.04 0.96 -0.55 0.00 0.00 175.29 175.69 1r9p s ILE 45 N 0.82 3.86 -0.22 -2.34 -4.36 -0.74 -0.17 121.20 118.06 1r9p s ILE 45 Ca -0.05 -0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.72 1r9p s ILE 45 Cb -0.15 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.91 1r9p s ILE 45 CO 0.00 0.46 -0.09 -0.75 0.24 0.00 0.00 174.94 174.81 1r9p s LYS 46 N -1.24 3.14 -0.05 0.37 2.20 -0.95 -1.56 119.74 121.65 1r9p s LYS 46 Ca 0.16 -0.77 -0.08 0.00 -0.36 0.00 0.00 55.97 54.93 1r9p s LYS 46 Cb -0.11 -2.90 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1r9p s LYS 46 CO 0.06 -0.25 0.23 0.08 -0.36 0.00 0.00 175.35 175.11 1r9p s VAL 47 N 1.39 5.35 0.00 4.02 1.01 -0.16 -2.56 120.40 129.45 1r9p s VAL 47 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1r9p s VAL 47 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1r9p s VAL 47 CO -0.06 0.49 0.00 -0.90 0.00 0.00 0.00 175.10 174.63 1r9p n ASP 48 N 1.55 0.00 -0.45 3.32 5.68 -0.96 -4.69 116.55 120.99 1r9p n ASP 48 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1r9p n ASP 48 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1r9p n ASP 48 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1r9p n ASP 49 N 0.00 0.00 -2.75 -1.12 5.68 -1.26 -4.93 116.55 112.17 1r9p n ASP 49 Ca 0.00 -1.29 -0.04 0.00 -0.50 0.00 0.00 54.79 52.96 1r9p n ASP 49 Cb 0.00 -0.06 0.07 0.00 -1.14 0.00 0.00 41.12 39.99 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1r9p n ASN 50 N 0.00 0.62 -2.74 -1.12 3.02 -1.26 -4.95 115.26 108.83 1r9p n ASN 50 Ca 0.00 -2.29 -0.16 0.00 -0.03 0.00 0.00 54.58 52.10 1r9p n ASN 50 Cb 0.56 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -0.62 -0.50 3.18 7.41 0.00 -1.26 -4.93 105.19 108.48 1r9p n GLY 51 Ca 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.74 1.84 -0.46 -0.61 -1.09 -1.26 -2.78 121.20 114.09 1r9p s ILE 52 Ca 0.13 -0.90 -0.24 0.00 -2.23 0.00 0.00 60.65 57.41 1r9p s ILE 52 Cb -0.07 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.25 1r9p s ILE 52 CO 0.17 0.51 0.86 -0.63 -1.23 0.00 0.00 174.94 174.62 1r9p s ILE 53 N 0.30 4.55 0.16 2.92 1.01 -0.89 -2.27 121.20 126.98 1r9p s ILE 53 Ca -0.15 0.57 0.25 0.00 0.00 0.00 0.00 60.65 61.33 1r9p s ILE 53 Cb -0.16 -4.39 0.26 0.00 0.01 0.00 0.00 42.46 38.17 1r9p s ILE 53 CO 0.07 -0.80 1.87 1.05 0.00 0.00 0.00 174.94 177.13 1r9p h GLU 54 N 9.05 0.00 -1.89 2.79 4.11 -1.84 -1.23 114.58 125.55 1r9p h GLU 54 Ca -0.24 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.33 1r9p h GLU 54 Cb 1.08 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.15 1r9p h GLU 54 CO 1.00 0.19 0.60 0.34 0.07 0.00 0.00 179.01 181.21 1r9p s ASP 55 N -6.13 -0.30 -0.01 3.06 -1.08 -1.26 -4.71 116.67 106.24 1r9p s ASP 55 Ca 0.00 0.08 0.02 0.00 -0.52 0.00 0.00 52.55 52.13 1r9p s ASP 55 Cb 0.10 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1r9p s ASP 55 CO 0.62 -0.45 -0.06 0.00 0.52 0.00 0.00 175.17 175.80 1r9p s ALA 56 N -2.48 0.58 -0.13 3.66 0.00 -1.26 -2.24 121.76 119.89 1r9p s ALA 56 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1r9p s ALA 56 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1r9p s ALA 56 CO -0.06 0.11 0.11 0.15 0.00 0.00 0.00 175.76 176.07 1r9p s LYS 57 N 0.08 3.53 -0.06 0.00 1.02 0.76 -4.98 119.74 120.10 1r9p s LYS 57 Ca -0.01 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 55.82 1r9p s LYS 57 Cb -0.05 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1r9p s LYS 57 CO -0.00 0.65 -0.19 -0.59 -0.92 0.00 0.00 175.35 174.29 1r9p s PHE 58 N -0.66 2.59 -0.42 3.18 -0.71 -1.26 -1.94 117.98 118.75 1r9p s PHE 58 Ca 0.12 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.63 1r9p s PHE 58 Cb -0.12 -1.63 0.17 0.00 -1.21 0.00 0.00 43.02 40.23 1r9p s PHE 58 CO 0.02 -0.02 0.50 0.15 -1.34 0.00 0.00 175.22 174.53 1r9p s LYS 59 N -0.39 0.84 -0.04 1.99 1.02 -1.14 -5.03 119.74 116.99 1r9p s LYS 59 Ca 0.04 -1.11 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 1r9p s LYS 59 Cb -0.12 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1r9p s LYS 59 CO 0.02 -1.27 0.11 -0.08 -0.92 0.00 0.00 175.35 173.21 1r9p s THR 60 N 1.03 -0.01 -0.29 2.17 -1.32 -1.26 -1.91 115.64 114.06 1r9p s THR 60 Ca 0.24 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.61 1r9p s THR 60 Cb -0.06 -0.17 0.11 0.00 -1.51 0.00 0.00 72.50 70.87 1r9p s THR 60 CO -0.07 0.01 0.70 -0.72 -2.21 0.00 0.00 174.62 172.33 1r9p s TYR 61 N 0.22 -1.14 0.00 9.09 1.13 -1.26 -4.84 117.35 120.55 1r9p s TYR 61 Ca -0.01 2.14 0.00 0.00 -1.41 0.00 0.00 57.07 57.78 1r9p s TYR 61 Cb -0.02 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.52 1r9p s TYR 61 CO -0.01 -0.57 0.00 0.41 -2.51 0.00 0.00 175.55 172.88 1r9p n GLY 62 N 4.75 -0.17 3.83 5.49 0.00 -1.26 -4.62 105.19 113.20 1r9p n GLY 62 Ca -0.16 0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p s GLY 64 N -1.42 1.59 0.00 0.00 0.00 -1.26 -3.47 107.32 102.77 1r9p s GLY 64 Ca 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1r9p s GLY 64 CO 0.18 0.03 0.00 -1.14 0.00 0.00 0.00 173.10 172.18 1r9p n SER 65 N -3.53 0.00 -0.07 1.64 3.41 -1.26 -4.52 113.62 109.29 1r9p n SER 65 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1r9p n SER 65 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p h ALA 66 N 0.00 0.28 -0.86 7.33 0.00 -1.98 -2.90 119.26 121.13 1r9p h ALA 66 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1r9p h ALA 66 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r9p h ALA 66 CO 0.00 0.03 0.00 -0.89 0.00 0.00 0.00 179.25 178.39 1r9p n ILE 67 N -4.64 0.00 -0.27 0.00 5.41 -1.25 -1.63 119.36 116.97 1r9p n ILE 67 Ca -0.04 1.36 0.07 0.00 1.00 0.00 0.00 62.75 65.14 1r9p n ILE 67 Cb 0.26 -2.14 0.16 0.00 -0.71 0.00 0.00 39.64 37.21 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p n ALA 68 N -1.94 0.27 -0.15 -1.39 0.00 -1.25 0.42 120.51 116.47 1r9p n ALA 68 Ca 0.00 0.83 0.16 0.00 0.00 0.00 0.00 53.44 54.43 1r9p n ALA 68 Cb 0.00 -0.54 0.53 0.00 0.00 0.00 0.00 19.45 19.43 1r9p n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r9p h SER 69 N 0.00 0.34 0.33 0.00 0.87 -1.12 -2.16 113.55 111.82 1r9p h SER 69 Ca 0.41 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1r9p h SER 69 Cb 0.72 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1r9p h SER 69 CO -0.76 0.18 -0.16 -1.28 -0.53 0.00 0.00 176.83 174.28 1r9p h SER 70 N 0.37 -0.38 -1.31 6.23 0.87 0.93 -1.49 113.55 118.77 1r9p h SER 70 Ca 0.36 0.01 0.38 0.00 -1.23 0.00 0.00 61.79 61.31 1r9p h SER 70 Cb 0.87 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 1r9p h SER 70 CO -0.10 -0.18 1.12 0.77 -0.53 0.00 0.00 176.83 177.91 1r9p h SER 71 N -0.63 0.00 0.00 6.23 4.64 -1.21 -0.79 113.55 121.80 1r9p h SER 71 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1r9p h SER 71 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1r9p h SER 71 CO 0.07 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.92 1r9p n LEU 72 N -3.74 2.68 -0.24 5.97 7.94 -0.84 -2.36 117.00 126.42 1r9p n LEU 72 Ca 0.29 0.05 0.21 0.00 -1.11 0.00 0.00 56.01 55.45 1r9p n LEU 72 Cb 1.53 0.00 0.40 0.00 0.53 0.00 0.00 43.42 45.87 1r9p n LEU 72 CO 0.35 0.00 0.75 0.00 -1.11 0.00 0.00 177.39 177.38 1r9p n ILE 73 N -0.49 -0.31 0.08 1.96 3.06 -0.58 0.20 119.36 123.28 1r9p n ILE 73 Ca 0.00 1.54 -0.13 0.00 -2.50 0.00 0.00 62.75 61.66 1r9p n ILE 73 Cb 0.00 -2.45 -0.08 0.00 0.54 0.00 0.00 39.64 37.66 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 0.94 0.00 9.51 1.35 -1.28 -0.69 112.91 122.75 1r9p h THR 74 Ca 0.60 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1r9p h THR 74 Cb 1.53 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1r9p h THR 74 CO -0.60 0.04 0.00 1.21 -0.25 0.00 0.00 175.52 175.93 1r9p n GLU 75 N -5.11 0.24 -0.01 4.72 2.13 0.54 -2.10 120.64 121.04 1r9p n GLU 75 Ca -0.08 0.13 -0.09 0.00 0.66 0.00 0.00 57.16 57.77 1r9p n GLU 75 Cb 0.12 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.19 1r9p n GLU 75 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1r9p h TRP 76 N 0.00 0.04 -0.41 4.31 2.91 0.61 -3.33 115.95 120.09 1r9p h TRP 76 Ca 0.00 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1r9p h TRP 76 Cb 0.14 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1r9p h TRP 76 CO 0.00 1.06 0.00 1.33 -1.03 0.00 0.00 178.44 179.80 1r9p n VAL 77 N -3.12 0.61 -2.33 2.65 0.24 -0.81 -4.72 118.33 110.86 1r9p n VAL 77 Ca -0.16 -0.80 -0.43 0.00 -2.04 0.00 0.00 64.34 60.91 1r9p n VAL 77 Cb 1.04 0.87 -0.02 0.00 -1.47 0.00 0.00 33.84 34.25 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 -1.29 3.71 0.00 7.34 2.20 -0.89 -2.53 119.74 128.28 1r9p s LYS 78 Ca 0.36 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 1r9p s LYS 78 Cb 0.21 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1r9p s LYS 78 CO 0.28 -1.38 0.00 0.41 -0.36 0.00 0.00 175.35 174.30 1r9p n GLY 79 N 4.76 1.63 0.38 5.54 0.00 -0.47 -5.03 105.19 112.01 1r9p n GLY 79 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 0.04 -4.06 1.61 4.76 -1.05 -4.65 118.16 112.81 1r9p n LYS 80 Ca 0.00 -0.22 -0.23 0.00 -2.87 0.00 0.00 58.31 54.99 1r9p n LYS 80 Cb 0.00 -0.12 -0.06 0.00 -1.84 0.00 0.00 35.03 33.01 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 -1.46 4.83 0.60 4.39 0.15 -1.26 -2.10 113.70 118.86 1r9p s SER 81 Ca 0.07 -0.68 0.32 0.00 0.70 0.00 0.00 55.95 56.36 1r9p s SER 81 Cb -0.00 -0.82 1.89 0.00 -1.71 0.00 0.00 66.02 65.37 1r9p s SER 81 CO 0.05 -0.27 2.25 -0.07 1.20 0.00 0.00 173.24 176.40 1r9p h LEU 82 N 1.51 0.00 -0.21 3.45 3.38 -1.90 -2.00 115.31 119.55 1r9p h LEU 82 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1r9p h LEU 82 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1r9p h LEU 82 CO 0.62 0.00 0.13 -0.08 0.09 0.00 0.00 178.44 179.20 1r9p h GLU 83 N 0.00 0.26 -0.25 1.13 4.81 -1.94 -1.72 114.58 116.86 1r9p h GLU 83 Ca 0.01 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1r9p h GLU 83 Cb 0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1r9p h GLU 83 CO -0.00 0.17 -0.43 1.49 -0.73 0.00 0.00 179.01 179.51 1r9p h GLU 84 N 0.26 0.63 0.00 1.92 4.57 -1.77 -2.68 114.58 117.51 1r9p h GLU 84 Ca 0.08 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1r9p h GLU 84 Cb -0.02 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1r9p h GLU 84 CO -0.03 0.94 -0.02 0.00 -1.18 0.00 0.00 179.01 178.73 1r9p h ALA 85 N 1.01 1.57 -1.02 2.92 0.00 -1.14 -1.69 119.26 120.90 1r9p h ALA 85 Ca 0.04 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.24 1r9p h ALA 85 Cb 0.96 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.44 1r9p h ALA 85 CO 0.09 0.02 0.57 0.41 0.00 0.00 0.00 179.25 180.34 1r9p n GLY 86 N -1.28 5.83 0.00 0.00 0.00 -0.69 -4.40 105.19 104.65 1r9p n GLY 86 Ca -0.03 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.71 0.00 -0.28 4.61 0.00 -0.76 -4.93 120.51 118.44 1r9p n ALA 87 Ca 0.55 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.08 1r9p n ALA 87 Cb 0.54 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.88 -0.33 -1.27 0.00 -5.35 -0.71 -4.88 119.36 105.94 1r9p n ILE 88 Ca 0.00 1.77 0.00 0.00 -0.27 0.00 0.00 62.75 64.25 1r9p n ILE 88 Cb 0.00 -2.53 0.00 0.00 -1.74 0.00 0.00 39.64 35.37 1r9p n ILE 88 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r9p n LYS 89 N -5.18 -3.57 0.00 6.28 4.81 -1.26 -3.94 118.16 115.30 1r9p n LYS 89 Ca 0.17 2.69 -0.02 0.00 -0.87 0.00 0.00 58.31 60.27 1r9p n LYS 89 Cb 0.54 -3.11 0.23 0.00 0.02 0.00 0.00 35.03 32.70 1r9p n LYS 89 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1r9p h ASN 90 N 1.01 0.50 -0.94 3.14 -0.00 -1.90 -2.75 115.58 114.65 1r9p h ASN 90 Ca 0.00 -0.14 0.21 0.00 -0.00 0.00 0.00 56.30 56.37 1r9p h ASN 90 Cb 0.20 -0.13 -0.12 0.00 -0.00 0.00 0.00 38.32 38.27 1r9p h ASN 90 CO 0.00 0.68 0.51 0.77 -0.00 0.00 0.00 177.43 179.39 1r9p h SER 91 N 0.47 0.56 -0.14 6.14 4.64 -1.95 0.16 113.55 123.43 1r9p h SER 91 Ca 0.08 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1r9p h SER 91 Cb 0.55 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1r9p h SER 91 CO 0.04 0.11 0.03 1.56 -0.87 0.00 0.00 176.83 177.70 1r9p h GLN 92 N 0.56 0.09 -0.37 4.77 1.08 -1.61 -1.11 115.11 118.53 1r9p h GLN 92 Ca 0.58 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.71 1r9p h GLN 92 Cb 1.03 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1r9p h GLN 92 CO -0.46 0.06 -0.05 0.82 -0.95 0.00 0.00 178.83 178.24 1r9p h ILE 93 N 0.09 1.23 0.00 2.54 2.04 -0.98 -1.57 117.51 120.86 1r9p h ILE 93 Ca 0.06 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1r9p h ILE 93 Cb 0.05 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1r9p h ILE 93 CO -0.08 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.40 1r9p h ALA 94 N 1.38 1.00 0.07 1.87 0.00 -0.07 0.67 119.26 124.17 1r9p h ALA 94 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1r9p h ALA 94 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1r9p h ALA 94 CO 0.02 0.00 -1.74 1.49 0.00 0.00 0.00 179.25 179.02 1r9p h GLU 95 N 0.00 0.15 0.00 0.00 4.57 -0.24 -1.25 114.58 117.81 1r9p h GLU 95 Ca 0.00 -0.26 -0.14 0.00 -1.18 0.00 0.00 59.36 57.78 1r9p h GLU 95 Cb 0.38 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1r9p h GLU 95 CO 0.00 0.90 -1.07 1.49 -1.18 0.00 0.00 179.01 179.15 1r9p h GLU 96 N 0.04 0.00 -0.00 1.92 4.57 -1.18 -3.33 114.58 116.60 1r9p h GLU 96 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1r9p h GLU 96 Cb 2.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 1r9p h GLU 96 CO 0.10 0.37 -0.63 -0.11 -1.18 0.00 0.00 179.01 177.56 1r9p n LEU 97 N -3.01 0.93 -0.68 1.64 7.94 0.20 -4.93 117.00 119.08 1r9p n LEU 97 Ca -0.05 -0.56 -0.03 0.00 -1.11 0.00 0.00 56.01 54.26 1r9p n LEU 97 Cb 0.80 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.73 1r9p n LEU 97 CO 0.42 0.21 -0.03 -0.62 -1.11 0.00 0.00 177.39 176.26 1r9p n GLU 98 N -1.08 -1.47 -1.31 1.96 4.71 -0.47 -4.78 120.64 118.20 1r9p n GLU 98 Ca 0.04 0.23 -0.40 0.00 -0.01 0.00 0.00 57.16 57.01 1r9p n GLU 98 Cb 0.26 -3.87 0.01 0.00 -1.01 0.00 0.00 31.44 26.83 1r9p n GLU 98 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1r9p n LEU 99 N -0.80 -2.55 -4.48 -4.62 -0.00 -1.26 -4.48 117.00 98.81 1r9p n LEU 99 Ca -0.03 0.74 -0.43 0.00 -0.00 0.00 0.00 56.01 56.30 1r9p n LEU 99 Cb 0.15 -0.92 -0.14 0.00 -0.00 0.00 0.00 43.42 42.51 1r9p n LEU 99 CO 0.05 -4.22 2.16 -2.65 -0.00 0.00 0.00 177.39 172.73 1r9p n PRO 100 N 1.18 0.10 -0.05 1.47 -0.02 -1.26 -4.76 135.00 131.66 1r9p n PRO 100 Ca 0.10 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.60 1r9p n PRO 100 Cb 0.44 -1.66 0.07 0.00 -0.02 0.00 0.00 33.50 32.33 1r9p n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1r9p n PRO 101 N 8.44 1.23 0.00 0.52 -0.04 -1.26 -4.08 135.00 139.81 1r9p n PRO 101 Ca 0.62 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1r9p n PRO 101 Cb 0.07 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1r9p n PRO 101 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1r9p n VAL 102 N -0.22 0.54 0.00 0.52 0.24 -1.26 -3.56 118.33 114.58 1r9p n VAL 102 Ca 0.04 0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 1r9p n VAL 102 Cb 0.09 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 1r9p n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r9p n LYS 103 N -1.08 0.00 -2.89 7.34 4.81 -1.26 -5.05 118.16 120.02 1r9p n LYS 103 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1r9p n LYS 103 Cb 0.28 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.37 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r9p n VAL 104 N -0.30 -8.05 -0.10 3.15 0.31 -1.23 -4.99 118.33 107.12 1r9p n VAL 104 Ca 0.00 -0.82 -0.13 0.00 -0.01 0.00 0.00 64.34 63.37 1r9p n VAL 104 Cb 0.00 -6.06 -0.05 0.00 -0.91 0.00 0.00 33.84 26.82 1r9p n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r9p n HIS 105 N -2.51 0.30 -0.35 3.52 1.44 -1.26 -3.80 115.22 112.56 1r9p n HIS 105 Ca -0.04 0.13 0.01 0.00 -2.01 0.00 0.00 57.72 55.82 1r9p n HIS 105 Cb 0.57 -0.72 0.16 0.00 0.12 0.00 0.00 29.99 30.12 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 1.13 -0.80 -1.22 0.00 0.02 -1.97 -1.36 113.55 109.35 1r9p h SER 107 Ca 0.41 0.05 0.35 0.00 -0.84 0.00 0.00 61.79 61.75 1r9p h SER 107 Cb 0.13 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1r9p h SER 107 CO -0.16 -0.48 0.86 0.40 -1.14 0.00 0.00 176.83 176.31 1r9p h ILE 108 N -0.77 0.38 0.06 3.27 2.04 -1.61 0.28 117.51 121.16 1r9p h ILE 108 Ca -0.07 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1r9p h ILE 108 Cb 0.62 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1r9p h ILE 108 CO 0.06 0.01 -0.03 0.25 0.00 0.00 0.00 178.15 178.45 1r9p h LEU 109 N 0.07 -0.07 -0.80 1.44 5.85 -0.41 -0.39 115.31 121.00 1r9p h LEU 109 Ca 0.61 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 59.35 1r9p h LEU 109 Cb 2.26 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 43.21 1r9p h LEU 109 CO -0.08 0.09 0.35 0.00 -0.34 0.00 0.00 178.44 178.47 1r9p h ALA 110 N 0.71 1.17 0.73 1.25 0.00 0.28 0.14 119.26 123.54 1r9p h ALA 110 Ca -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1r9p h ALA 110 Cb 0.20 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r9p h ALA 110 CO 0.01 -0.18 -0.35 1.49 0.00 0.00 0.00 179.25 180.22 1r9p h GLU 111 N 0.50 -0.95 -0.88 0.00 4.81 -1.16 -1.91 114.58 115.00 1r9p h GLU 111 Ca 0.44 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.99 1r9p h GLU 111 Cb 0.68 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1r9p h GLU 111 CO -0.40 -0.61 0.68 0.22 -0.73 0.00 0.00 179.01 178.17 1r9p h ASP 112 N -1.13 0.00 0.00 1.04 1.82 -0.31 -2.13 116.42 115.71 1r9p h ASP 112 Ca -0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1r9p h ASP 112 Cb 0.78 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1r9p h ASP 112 CO 0.17 0.00 -0.00 0.00 -1.61 0.00 0.00 179.24 177.80 1r9p h ALA 113 N 1.45 -0.57 -0.92 -0.78 0.00 -0.08 0.82 119.26 119.19 1r9p h ALA 113 Ca 0.42 -0.00 0.37 0.00 0.00 0.00 0.00 54.91 55.69 1r9p h ALA 113 Cb 1.78 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.40 1r9p h ALA 113 CO -0.00 -0.57 0.43 1.51 0.00 0.00 0.00 179.25 180.62 1r9p n ILE 114 N -2.00 -0.39 0.15 0.00 0.13 -0.78 0.42 119.36 116.89 1r9p n ILE 114 Ca -0.00 1.89 0.00 0.00 -1.10 0.00 0.00 62.75 63.54 1r9p n ILE 114 Cb 0.00 -3.02 0.19 0.00 -0.84 0.00 0.00 39.64 35.98 1r9p n ILE 114 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1r9p h LYS 115 N 0.00 0.00 -0.11 9.51 1.79 -1.36 -2.36 116.57 124.04 1r9p h LYS 115 Ca 0.75 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 59.20 1r9p h LYS 115 Cb 1.94 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.58 1r9p h LYS 115 CO -0.73 0.58 0.00 0.00 -1.08 0.00 0.00 179.45 178.22 1r9p h ALA 116 N 1.42 0.15 -0.24 3.86 0.00 1.11 -1.27 119.26 124.29 1r9p h ALA 116 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1r9p h ALA 116 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1r9p h ALA 116 CO 0.07 -0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.23 1r9p h ALA 117 N 0.75 0.32 -0.68 0.00 0.00 -1.25 -2.25 119.26 116.16 1r9p h ALA 117 Ca 0.03 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1r9p h ALA 117 Cb 0.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1r9p h ALA 117 CO 0.00 -0.05 0.32 0.82 0.00 0.00 0.00 179.25 180.35 1r9p h ILE 118 N 0.22 0.84 -0.94 0.00 2.04 -1.37 0.15 117.51 118.45 1r9p h ILE 118 Ca 0.08 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1r9p h ILE 118 Cb 0.25 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1r9p h ILE 118 CO -0.00 0.10 0.62 0.00 0.00 0.00 0.00 178.15 178.87 1r9p h ALA 119 N 1.42 1.32 0.41 1.87 0.00 -0.95 -1.59 119.26 121.74 1r9p h ALA 119 Ca 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1r9p h ALA 119 Cb 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r9p h ALA 119 CO -0.27 0.63 -0.20 0.22 0.00 0.00 0.00 179.25 179.63 1r9p h ASP 120 N 1.28 -0.47 -0.96 0.00 3.58 -0.47 -1.61 116.42 117.78 1r9p h ASP 120 Ca 0.35 -0.09 0.27 0.00 0.42 0.00 0.00 57.03 57.98 1r9p h ASP 120 Cb -0.14 0.12 -0.14 0.00 1.72 0.00 0.00 39.33 40.89 1r9p h ASP 120 CO -0.07 -0.04 0.46 0.22 -2.88 0.00 0.00 179.24 176.93 1r9p h TYR 121 N -1.03 0.75 -0.25 0.28 3.20 -0.69 0.32 116.97 119.54 1r9p h TYR 121 Ca -0.06 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1r9p h TYR 121 Cb 0.53 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1r9p h TYR 121 CO 0.02 -0.14 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.15 1r9p h LYS 122 N 0.34 0.47 -0.92 1.82 3.64 -1.24 -2.21 116.57 118.47 1r9p h LYS 122 Ca 0.65 -0.17 0.37 0.00 -1.27 0.00 0.00 60.65 60.23 1r9p h LYS 122 Cb 1.38 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 33.02 1r9p h LYS 122 CO -0.59 0.67 0.52 0.00 -2.27 0.00 0.00 179.45 177.78 1r9p n ALA 123 N -2.37 0.94 0.03 5.00 0.00 0.11 0.26 120.51 124.48 1r9p n ALA 123 Ca -0.04 0.84 -0.22 0.00 0.00 0.00 0.00 53.44 54.03 1r9p n ALA 123 Cb 0.28 -0.87 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 1r9p n ALA 123 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1r9p h LYS 124 N 0.00 0.30 -0.98 0.00 1.63 -1.42 -3.17 116.57 112.93 1r9p h LYS 124 Ca 0.73 -0.52 -0.62 0.00 -0.85 0.00 0.00 60.65 59.39 1r9p h LYS 124 Cb 2.02 0.19 -0.30 0.00 -0.60 0.00 0.00 32.23 33.54 1r9p h LYS 124 CO -0.60 1.25 0.76 1.04 -3.45 0.00 0.00 179.45 178.44 1r9p n GLN 125 N -3.80 2.58 0.07 1.90 1.13 0.32 -4.12 117.38 115.46 1r9p n GLN 125 Ca -0.25 -3.24 0.00 0.00 -1.94 0.00 0.00 57.00 51.58 1r9p n GLN 125 Cb 0.97 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.98 -0.69 0.35 1.08 0.00 0.74 -4.83 105.19 100.86 1r9p n GLY 126 Ca 0.61 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.76 1r9p n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r9p h LEU 127 N 0.00 0.87 0.00 0.99 -0.00 -1.62 -3.45 115.31 112.09 1r9p h LEU 127 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1r9p h LEU 127 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1r9p h LEU 127 CO 0.00 0.62 0.00 -0.62 -0.00 0.00 0.00 178.44 178.44 1r9p n GLU 128 N -4.43 0.00 -4.01 1.13 1.02 -1.26 -3.76 120.64 109.33 1r9p n GLU 128 Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 1r9p n GLU 128 Cb 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.34 1r9p n GLU 128 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1r9p s HIS 129 N 0.00 3.30 -0.25 -0.32 5.65 -1.26 -5.07 115.29 117.34 1r9p s HIS 129 Ca 0.00 -2.22 -0.26 0.00 0.25 0.00 0.00 55.06 52.82 1r9p s HIS 129 Cb 0.00 -2.07 0.13 0.00 -1.18 0.00 0.00 32.58 29.47 1r9p s HIS 129 CO 0.00 -0.86 1.09 -1.58 -0.65 0.00 0.00 174.74 172.73 1r9p s HIS 130 N 1.14 -0.38 0.27 3.88 5.04 -1.25 -5.09 115.29 118.89 1r9p s HIS 130 Ca -0.06 0.87 0.00 0.00 -1.54 0.00 0.00 55.06 54.32 1r9p s HIS 130 Cb -0.20 0.40 0.00 0.00 0.04 0.00 0.00 32.58 32.82 1r9p s HIS 130 CO -0.04 -0.22 0.00 0.72 -2.34 0.00 0.00 174.74 172.86 1r9p n HIS 131 N 1.72 -2.28 -3.63 3.88 8.25 -1.26 -5.13 115.22 116.77 1r9p n HIS 131 Ca -0.11 0.40 -0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1r9p n HIS 131 Cb 0.57 0.54 -0.05 0.00 1.12 0.00 0.00 29.99 32.16 1r9p n HIS 131 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1r9p s HIS 132 N -2.00 -0.26 -0.05 4.41 -3.43 -1.26 -5.10 115.29 107.59 1r9p s HIS 132 Ca 0.00 0.09 -0.31 0.00 -0.80 0.00 0.00 55.06 54.03 1r9p s HIS 132 Cb 0.00 0.27 -0.15 0.00 -1.43 0.00 0.00 32.58 31.26 1r9p s HIS 132 CO 0.00 -0.66 0.88 0.72 -2.00 0.00 0.00 174.74 173.68 1r9p n HIS 133 N 0.09 0.61 -1.13 0.38 -0.00 -1.26 -5.30 115.22 108.61 1r9p n HIS 133 Ca -0.17 0.82 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 1r9p n HIS 133 Cb 0.62 -1.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.99 1r9p n HIS 133 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95