#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 3.23 -0.64 3.04 0.00 -1.26 -5.00 121.76 121.13 1r9p s ALA 2 Ca 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 1r9p s ALA 2 Cb 0.00 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 20.04 1r9p s ALA 2 CO 0.00 -0.24 0.51 -0.47 0.00 0.00 0.00 175.76 175.56 1r9p s TYR 3 N 1.06 3.52 -0.26 0.00 6.14 -1.26 -5.04 117.35 121.51 1r9p s TYR 3 Ca 0.48 -2.28 -0.09 0.00 0.64 0.00 0.00 57.07 55.82 1r9p s TYR 3 Cb -0.20 -3.46 -0.04 0.00 0.42 0.00 0.00 41.96 38.69 1r9p s TYR 3 CO 0.24 -0.93 0.11 0.45 0.64 0.00 0.00 175.55 176.07 1r9p s SER 4 N 1.66 5.47 -0.32 4.32 0.15 -1.26 -5.02 113.70 118.70 1r9p s SER 4 Ca 0.14 -0.13 -0.40 0.00 0.70 0.00 0.00 55.95 56.27 1r9p s SER 4 Cb -0.19 -2.00 -0.15 0.00 -1.71 0.00 0.00 66.02 61.97 1r9p s SER 4 CO -0.04 -0.03 1.86 -0.62 1.20 0.00 0.00 173.24 175.61 1r9p n GLU 5 N 4.93 1.03 -2.56 5.44 1.02 -1.26 -4.81 120.64 124.43 1r9p n GLU 5 Ca -0.15 0.36 -0.41 0.00 -0.02 0.00 0.00 57.16 56.94 1r9p n GLU 5 Cb 0.52 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 1r9p n GLU 5 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1r9p s LYS 6 N 4.27 3.55 -0.26 3.49 1.02 -1.26 -4.67 119.74 125.89 1r9p s LYS 6 Ca 1.02 -1.04 0.22 0.00 0.02 0.00 0.00 55.97 56.19 1r9p s LYS 6 Cb -1.07 -5.25 0.49 0.00 -0.52 0.00 0.00 37.83 31.47 1r9p s LYS 6 CO 0.63 -2.21 1.17 1.55 -0.92 0.00 0.00 175.35 175.57 1r9p n VAL 7 N 6.85 1.02 0.00 3.17 3.14 -1.26 -5.03 118.33 126.22 1r9p n VAL 7 Ca 0.30 -2.54 0.00 0.00 -2.96 0.00 0.00 64.34 59.14 1r9p n VAL 7 Cb 0.51 1.25 0.00 0.00 -1.06 0.00 0.00 33.84 34.53 1r9p n VAL 7 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1r9p n ILE 8 N -0.67 0.00 -4.74 1.55 -5.35 -1.26 -5.07 119.36 103.81 1r9p n ILE 8 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1r9p n ILE 8 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1r9p n ASP 9 N 0.00 -0.88 0.00 7.28 2.03 -1.26 -4.67 116.55 119.05 1r9p n ASP 9 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1r9p n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 -2.21 -0.67 8.25 -1.26 -5.13 115.22 114.21 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 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -4.26 -3.16 4.41 4.19 -1.26 -4.86 117.16 112.22 1r9p n TYR 11 Ca 0.00 2.54 -0.40 0.00 3.31 0.00 0.00 57.90 63.35 1r9p n TYR 11 Cb 0.00 -3.37 -0.07 0.00 0.49 0.00 0.00 39.34 36.39 1r9p n TYR 11 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1r9p s GLU 12 N -0.49 4.12 -0.32 2.98 2.02 -1.26 -4.86 118.70 120.89 1r9p s GLU 12 Ca 0.00 0.48 0.02 0.00 0.02 0.00 0.00 54.97 55.49 1r9p s GLU 12 Cb 0.00 -3.63 0.15 0.00 0.10 0.00 0.00 34.13 30.75 1r9p s GLU 12 CO 0.00 -0.34 1.16 0.27 0.02 0.00 0.00 175.26 176.37 1r9p n ASN 13 N 5.47 -1.19 -0.33 -0.19 2.04 -1.26 -4.99 115.26 114.80 1r9p n ASN 13 Ca -0.02 -1.75 0.00 0.00 -0.44 0.00 0.00 54.58 52.37 1r9p n ASN 13 Cb 0.49 1.05 0.00 0.00 -2.53 0.00 0.00 39.78 38.80 1r9p n ASN 13 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1r9p n PRO 14 N -0.22 0.39 -1.66 -0.53 -0.04 -1.26 -4.84 135.00 126.83 1r9p n PRO 14 Ca -0.20 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.79 1r9p n PRO 14 Cb 0.68 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.03 2.03 0.00 0.54 1.74 -1.26 -4.79 116.66 114.96 1r9p n ARG 15 Ca 0.00 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1r9p n ARG 15 Cb 0.06 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 1r9p n ARG 15 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1r9p n ASN 16 N 3.36 0.00 0.00 0.55 6.94 -1.26 -4.83 115.26 120.02 1r9p n ASN 16 Ca 0.17 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 1r9p n ASN 16 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1r9p n ASN 16 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1r9p n VAL 17 N 0.00 0.38 0.00 3.53 0.24 -1.26 -4.26 118.33 116.96 1r9p n VAL 17 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1r9p n VAL 17 Cb 0.09 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r9p n GLY 18 N -0.95 -2.67 1.89 7.63 0.00 -1.26 -5.04 105.19 104.79 1r9p n GLY 18 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -1.51 -2.29 1.61 7.64 -1.26 -5.13 113.62 112.68 1r9p n SER 19 Ca 0.00 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.22 1r9p n SER 19 Cb 0.00 1.69 -0.00 0.00 -1.01 0.00 0.00 64.21 64.89 1r9p n SER 19 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1r9p n LEU 20 N -2.79 -3.96 0.00 -3.43 7.94 -1.26 -4.98 117.00 108.52 1r9p n LEU 20 Ca 0.00 2.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.90 1r9p n LEU 20 Cb 0.00 -2.49 0.00 0.00 0.53 0.00 0.00 43.42 41.46 1r9p n LEU 20 CO 0.00 -2.49 0.00 -0.67 -1.11 0.00 0.00 177.39 173.12 1r9p n ASP 21 N 1.95 0.00 0.00 1.96 2.03 -1.26 -4.97 116.55 116.26 1r9p n ASP 21 Ca -0.04 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1r9p n ASP 21 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1r9p n ASP 21 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1r9p n LYS 22 N 0.00 0.00 -0.80 -0.67 5.02 -1.26 -4.67 118.16 115.78 1r9p n LYS 22 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1r9p n LYS 22 Cb 0.14 -3.50 0.38 0.00 -0.02 0.00 0.00 35.03 32.03 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1r9p n LYS 23 N -2.00 4.50 -4.34 1.97 4.76 -1.26 -4.95 118.16 116.83 1r9p n LYS 23 Ca 0.00 -3.10 -0.23 0.00 -2.87 0.00 0.00 58.31 52.11 1r9p n LYS 23 Cb 0.00 -2.18 -0.08 0.00 -1.84 0.00 0.00 35.03 30.93 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 -1.01 4.25 0.00 4.39 -1.08 -1.26 -5.02 116.67 116.94 1r9p s ASP 24 Ca 0.52 -0.79 0.26 0.00 -0.52 0.00 0.00 52.55 52.03 1r9p s ASP 24 Cb 0.40 -0.66 0.74 0.00 -1.46 0.00 0.00 42.92 41.94 1r9p s ASP 24 CO 0.15 -0.02 1.56 -1.54 0.52 0.00 0.00 175.17 175.84 1r9p n SER 25 N -0.83 1.33 -0.29 -0.34 3.41 -1.26 -3.74 113.62 111.90 1r9p n SER 25 Ca -0.06 -1.16 0.08 0.00 -0.26 0.00 0.00 58.87 57.47 1r9p n SER 25 Cb 0.60 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r9p n ASN 26 N -0.28 1.43 -4.16 4.04 4.13 -1.26 -4.88 115.26 114.29 1r9p n ASN 26 Ca 0.14 -1.22 -0.34 0.00 1.68 0.00 0.00 54.58 54.85 1r9p n ASN 26 Cb 0.37 0.59 -0.15 0.00 -1.54 0.00 0.00 39.78 39.05 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r9p s VAL 27 N -2.04 2.53 0.01 2.41 1.01 -1.25 -0.76 120.40 122.32 1r9p s VAL 27 Ca 0.12 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1r9p s VAL 27 Cb 0.13 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1r9p s VAL 27 CO 0.46 0.29 0.28 -0.83 0.00 0.00 0.00 175.10 175.30 1r9p s GLY 28 N 1.29 2.27 -0.12 4.51 0.00 -0.80 -4.64 107.32 109.82 1r9p s GLY 28 Ca 0.01 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1r9p s GLY 28 CO -0.07 -0.34 -0.12 -1.59 0.00 0.00 0.00 173.10 170.98 1r9p s THR 29 N -1.29 1.34 -0.12 0.90 2.01 -1.26 -1.87 115.64 115.35 1r9p s THR 29 Ca 0.27 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1r9p s THR 29 Cb -0.13 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1r9p s THR 29 CO 0.16 0.42 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.52 1r9p s GLY 30 N 1.39 1.06 0.09 4.40 0.00 -0.48 -4.15 107.32 109.63 1r9p s GLY 30 Ca 0.01 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1r9p s GLY 30 CO -0.07 0.32 -0.12 -3.16 0.00 0.00 0.00 173.10 170.08 1r9p s MET 31 N 1.14 0.84 0.21 2.90 0.23 -1.26 -0.68 119.30 122.68 1r9p s MET 31 Ca -0.03 -1.08 -0.06 0.00 -1.03 0.00 0.00 55.69 53.49 1r9p s MET 31 Cb -0.14 -0.67 -0.02 0.00 -1.53 0.00 0.00 34.83 32.46 1r9p s MET 31 CO -0.04 0.13 0.27 0.14 -2.03 0.00 0.00 175.02 173.48 1r9p s VAL 32 N -1.94 0.02 0.09 5.16 -7.23 -0.33 -4.95 120.40 111.22 1r9p s VAL 32 Ca 0.02 -1.70 0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1r9p s VAL 32 Cb -0.06 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1r9p s VAL 32 CO 0.01 -0.07 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.68 1r9p s GLY 33 N -3.08 1.58 -0.43 2.32 0.00 -1.26 -1.82 107.32 104.63 1r9p s GLY 33 Ca 0.29 -1.34 0.07 0.00 0.00 0.00 0.00 44.72 43.74 1r9p s GLY 33 CO 0.09 -1.28 0.57 0.00 0.00 0.00 0.00 173.10 172.48 1r9p n ALA 34 N 1.19 1.38 -0.70 3.20 0.00 0.53 -4.94 120.51 121.16 1r9p n ALA 34 Ca -0.17 -2.73 -0.37 0.00 0.00 0.00 0.00 53.44 50.18 1r9p n ALA 34 Cb 0.53 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 1r9p n ALA 34 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r9p n PRO 35 N 1.91 0.01 0.00 0.00 -0.02 -1.26 0.43 135.00 136.08 1r9p n PRO 35 Ca 0.20 -1.03 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 1r9p n PRO 35 Cb 0.54 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1r9p n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9p n ALA 36 N 10.31 0.00 0.08 3.55 0.00 -1.26 -4.97 120.51 128.21 1r9p n ALA 36 Ca 0.43 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.87 1r9p n ALA 36 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 0.85 -1.04 7.00 0.00 0.00 -1.20 -0.72 105.19 110.08 1r9p n GLY 38 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1r9p n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r9p n ASP 39 N -2.50 -3.67 -4.55 1.61 9.92 0.17 -4.30 116.55 113.22 1r9p n ASP 39 Ca -0.14 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.69 1r9p n ASP 39 Cb 0.79 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.22 1r9p n ASP 39 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1r9p s VAL 40 N 0.00 4.59 -0.20 2.53 0.11 -1.26 -0.35 120.40 125.82 1r9p s VAL 40 Ca 0.00 0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 59.52 1r9p s VAL 40 Cb 0.00 -4.35 -0.05 0.00 -1.53 0.00 0.00 36.38 30.45 1r9p s VAL 40 CO 0.00 -0.74 0.12 -0.32 -3.33 0.00 0.00 175.10 170.83 1r9p s MET 41 N 3.43 4.15 -0.27 1.54 1.75 -0.76 -4.46 119.30 124.68 1r9p s MET 41 Ca 0.32 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 1r9p s MET 41 Cb -0.11 -3.39 0.07 0.00 2.84 0.00 0.00 34.83 34.23 1r9p s MET 41 CO 0.23 0.29 -0.07 -1.14 -0.65 0.00 0.00 175.02 173.68 1r9p s GLN 42 N 0.39 2.01 -0.29 4.11 0.74 -0.28 -1.18 119.66 125.15 1r9p s GLN 42 Ca 0.07 -1.40 -0.07 0.00 0.05 0.00 0.00 55.36 54.02 1r9p s GLN 42 Cb -0.11 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.11 1r9p s GLN 42 CO -0.01 -0.65 0.08 -1.17 -0.55 0.00 0.00 175.29 172.99 1r9p s LEU 43 N 1.11 3.83 -0.24 3.68 2.96 0.14 -2.55 118.68 127.62 1r9p s LEU 43 Ca -0.05 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 1r9p s LEU 43 Cb -0.20 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1r9p s LEU 43 CO -0.06 -0.18 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.68 1r9p s GLN 44 N 1.51 3.36 0.02 1.98 -0.21 -0.57 -1.38 119.66 124.37 1r9p s GLN 44 Ca 0.03 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.77 1r9p s GLN 44 Cb -0.17 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1r9p s GLN 44 CO 0.03 -0.25 0.04 0.96 -2.12 0.00 0.00 175.29 173.95 1r9p s ILE 45 N 1.50 4.42 -0.07 1.08 -4.36 -0.78 -0.98 121.20 122.00 1r9p s ILE 45 Ca 0.05 -0.61 0.03 0.00 -0.26 0.00 0.00 60.65 59.86 1r9p s ILE 45 Cb -0.15 -3.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.50 1r9p s ILE 45 CO -0.01 0.29 -0.16 -0.75 0.24 0.00 0.00 174.94 174.55 1r9p s LYS 46 N -1.87 2.74 -0.02 0.37 2.20 -0.62 -1.90 119.74 120.64 1r9p s LYS 46 Ca 0.23 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1r9p s LYS 46 Cb -0.12 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1r9p s LYS 46 CO 0.15 0.47 0.14 0.08 -0.36 0.00 0.00 175.35 175.83 1r9p s VAL 47 N -0.35 5.17 0.00 4.02 1.01 0.06 -2.38 120.40 127.94 1r9p s VAL 47 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1r9p s VAL 47 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1r9p s VAL 47 CO 0.02 0.36 0.00 -0.67 0.00 0.00 0.00 175.10 174.81 1r9p n ASP 48 N 1.13 0.00 0.00 3.32 2.03 -0.64 -4.75 116.55 117.63 1r9p n ASP 48 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 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 -0.12 1.67 2.03 -1.26 -4.82 116.55 114.04 1r9p n ASP 49 Ca 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1r9p n ASP 49 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.07 0.00 1.67 3.02 -1.26 -4.97 115.26 113.79 1r9p n ASN 50 Ca 0.00 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1r9p n ASN 50 Cb 0.48 -0.05 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 -0.02 0.75 3.52 7.41 0.00 -1.26 -5.04 105.19 110.54 1r9p n GLY 51 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 5.28 -0.62 -0.61 -1.09 -1.26 -3.61 121.20 117.28 1r9p s ILE 52 Ca 0.00 -0.29 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 1r9p s ILE 52 Cb 0.00 -3.76 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1r9p s ILE 52 CO 0.00 -0.07 2.44 -0.38 -1.23 0.00 0.00 174.94 175.70 1r9p n ILE 53 N 5.12 -0.06 -0.02 2.92 5.41 -0.91 -1.62 119.36 130.20 1r9p n ILE 53 Ca -0.12 -0.66 -0.13 0.00 1.00 0.00 0.00 62.75 62.84 1r9p n ILE 53 Cb 0.49 -2.34 -0.11 0.00 -0.71 0.00 0.00 39.64 36.98 1r9p n ILE 53 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1r9p h GLU 54 N 17.21 -0.01 -5.27 0.38 4.22 -1.77 -1.02 114.58 128.32 1r9p h GLU 54 Ca -0.16 0.00 -0.49 0.00 0.08 0.00 0.00 59.36 58.79 1r9p h GLU 54 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 1r9p h GLU 54 CO 1.16 0.59 -0.61 0.34 -2.18 0.00 0.00 179.01 178.32 1r9p s ASP 55 N -5.80 2.55 -0.30 1.04 2.15 -1.24 -4.59 116.67 110.47 1r9p s ASP 55 Ca -0.16 -1.38 -0.08 0.00 0.43 0.00 0.00 52.55 51.35 1r9p s ASP 55 Cb 0.00 -0.11 0.16 0.00 -0.30 0.00 0.00 42.92 42.68 1r9p s ASP 55 CO 0.67 -0.60 0.73 0.00 -0.17 0.00 0.00 175.17 175.80 1r9p s ALA 56 N -3.23 -2.36 -0.17 3.66 0.00 -1.26 -1.58 121.76 116.81 1r9p s ALA 56 Ca 0.36 2.05 -0.11 0.00 0.00 0.00 0.00 51.96 54.27 1r9p s ALA 56 Cb 0.09 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1r9p s ALA 56 CO 0.16 -1.11 0.18 0.21 0.00 0.00 0.00 175.76 175.19 1r9p s LYS 57 N 2.81 4.09 0.45 0.00 2.20 -0.15 -4.99 119.74 124.15 1r9p s LYS 57 Ca 0.04 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 55.60 1r9p s LYS 57 Cb -0.12 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1r9p s LYS 57 CO -0.19 0.36 0.32 -0.59 -0.36 0.00 0.00 175.35 174.90 1r9p s PHE 58 N 0.15 2.42 -0.30 4.03 -0.71 -1.26 -1.51 117.98 120.80 1r9p s PHE 58 Ca 0.11 -0.61 -0.13 0.00 -1.04 0.00 0.00 56.93 55.27 1r9p s PHE 58 Cb -0.12 -2.05 0.18 0.00 -1.21 0.00 0.00 43.02 39.82 1r9p s PHE 58 CO 0.01 -0.11 1.01 0.21 -1.34 0.00 0.00 175.22 174.99 1r9p s LYS 59 N -4.10 0.23 -0.09 1.99 2.36 -1.06 -4.95 119.74 114.14 1r9p s LYS 59 Ca 0.43 0.45 -0.23 0.00 -2.55 0.00 0.00 55.97 54.07 1r9p s LYS 59 Cb -0.01 0.26 0.05 0.00 -1.05 0.00 0.00 37.83 37.08 1r9p s LYS 59 CO 0.25 -0.22 0.55 -0.08 1.55 0.00 0.00 175.35 177.40 1r9p s THR 60 N 2.82 0.02 -0.28 3.43 -1.32 -1.26 -1.12 115.64 117.91 1r9p s THR 60 Ca 0.01 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1r9p s THR 60 Cb -0.10 -0.84 0.17 0.00 -1.51 0.00 0.00 72.50 70.23 1r9p s THR 60 CO -0.13 -0.07 0.52 -0.47 -2.21 0.00 0.00 174.62 172.26 1r9p s TYR 61 N -0.78 -1.39 0.00 9.09 5.04 -1.26 -4.95 117.35 123.10 1r9p s TYR 61 Ca -0.08 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1r9p s TYR 61 Cb -0.03 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.58 1r9p s TYR 61 CO 0.06 -0.89 0.00 0.41 -1.34 0.00 0.00 175.55 173.78 1r9p n GLY 62 N 5.40 0.23 3.72 8.97 0.00 -1.26 -4.55 105.19 117.70 1r9p n GLY 62 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 2.77 2.39 0.00 0.00 0.00 -1.26 -4.21 105.19 104.89 1r9p n GLY 64 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.65 0.00 0.02 1.61 2.88 -1.26 -4.86 113.62 113.66 1r9p n SER 65 Ca 0.24 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 1r9p n SER 65 Cb 0.62 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.17 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p n ALA 66 N 0.00 3.58 -0.32 -1.46 0.00 -1.26 -4.26 120.51 116.78 1r9p n ALA 66 Ca 0.00 -0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.18 1r9p n ALA 66 Cb 0.00 -1.01 0.30 0.00 0.00 0.00 0.00 19.45 18.74 1r9p n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r9p h ILE 67 N 0.00 0.12 -0.53 0.00 2.04 -1.89 0.79 117.51 118.04 1r9p h ILE 67 Ca 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1r9p h ILE 67 Cb 0.63 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1r9p h ILE 67 CO 0.00 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.47 1r9p h ALA 68 N 1.91 0.68 -0.57 1.87 0.00 -1.95 -2.58 119.26 118.61 1r9p h ALA 68 Ca 0.59 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.59 1r9p h ALA 68 Cb 1.22 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1r9p h ALA 68 CO -0.82 0.02 -0.30 0.77 0.00 0.00 0.00 179.25 178.91 1r9p h SER 69 N 0.62 -1.05 -0.78 0.00 0.02 0.35 0.17 113.55 112.88 1r9p h SER 69 Ca 0.21 0.22 0.17 0.00 -0.84 0.00 0.00 61.79 61.55 1r9p h SER 69 Cb 0.03 0.53 -0.14 0.00 0.14 0.00 0.00 62.40 62.96 1r9p h SER 69 CO -0.10 -0.29 -0.07 -1.28 -1.14 0.00 0.00 176.83 173.95 1r9p h SER 70 N -0.15 -0.50 -0.59 3.07 0.87 -1.24 0.82 113.55 115.83 1r9p h SER 70 Ca 0.24 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1r9p h SER 70 Cb 0.54 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1r9p h SER 70 CO -0.65 -0.22 0.34 0.28 -0.53 0.00 0.00 176.83 176.04 1r9p h SER 71 N 0.05 0.73 0.00 6.23 0.02 -0.69 -2.18 113.55 117.72 1r9p h SER 71 Ca 0.41 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1r9p h SER 71 Cb 0.71 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1r9p h SER 71 CO -0.74 0.59 0.00 -0.11 -1.14 0.00 0.00 176.83 175.43 1r9p n LEU 72 N -4.39 0.48 -0.29 5.07 7.94 0.28 -1.84 117.00 124.24 1r9p n LEU 72 Ca 0.06 0.54 0.01 0.00 -1.11 0.00 0.00 56.01 55.51 1r9p n LEU 72 Cb 0.09 -0.16 0.06 0.00 0.53 0.00 0.00 43.42 43.94 1r9p n LEU 72 CO 0.37 -0.16 0.48 0.00 -1.11 0.00 0.00 177.39 176.97 1r9p n ILE 73 N -0.97 -0.38 -0.12 1.96 3.06 -0.65 0.10 119.36 122.37 1r9p n ILE 73 Ca 0.00 1.80 -0.06 0.00 -2.50 0.00 0.00 62.75 61.99 1r9p n ILE 73 Cb 0.00 -2.42 0.00 0.00 0.54 0.00 0.00 39.64 37.76 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 0.36 0.00 9.51 1.35 -1.42 0.68 112.91 123.39 1r9p h THR 74 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1r9p h THR 74 Cb 0.50 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1r9p h THR 74 CO -0.78 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 175.70 1r9p n GLU 75 N -5.39 0.65 0.00 4.72 2.13 0.28 -2.56 120.64 120.46 1r9p n GLU 75 Ca 0.02 0.02 0.08 0.00 0.66 0.00 0.00 57.16 57.94 1r9p n GLU 75 Cb 0.31 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1r9p n TRP 76 N -1.11 0.00 -0.21 4.31 7.02 0.21 -4.35 117.44 123.31 1r9p n TRP 76 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1r9p n TRP 76 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -0.07 0.44 -3.04 -0.99 0.24 0.25 -4.83 118.33 110.34 1r9p n VAL 77 Ca 0.07 -0.61 -0.44 0.00 -2.04 0.00 0.00 64.34 61.32 1r9p n VAL 77 Cb 0.36 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.44 3.15 0.00 7.34 2.36 -1.06 -3.76 119.74 127.33 1r9p s LYS 78 Ca 0.00 -1.31 0.00 0.00 -2.55 0.00 0.00 55.97 52.11 1r9p s LYS 78 Cb 0.00 -4.34 0.00 0.00 -1.05 0.00 0.00 37.83 32.44 1r9p s LYS 78 CO 0.00 -1.63 0.00 0.41 1.55 0.00 0.00 175.35 175.68 1r9p n GLY 79 N 5.25 1.25 3.85 5.54 0.00 -0.39 -5.03 105.19 115.66 1r9p n GLY 79 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1r9p n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9p s LYS 80 N -0.49 2.31 0.26 1.61 -0.14 -1.25 -4.87 119.74 117.17 1r9p s LYS 80 Ca 0.00 -1.88 0.01 0.00 -1.36 0.00 0.00 55.97 52.74 1r9p s LYS 80 Cb 0.00 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1r9p s LYS 80 CO 0.00 -0.37 0.43 -1.12 -0.76 0.00 0.00 175.35 173.53 1r9p s SER 81 N -4.13 6.34 0.64 2.83 0.01 -1.26 -2.13 113.70 116.01 1r9p s SER 81 Ca 0.38 0.35 0.42 0.00 1.31 0.00 0.00 55.95 58.40 1r9p s SER 81 Cb -0.01 -1.98 2.23 0.00 0.21 0.00 0.00 66.02 66.47 1r9p s SER 81 CO 0.22 -0.13 2.31 -0.07 0.41 0.00 0.00 173.24 175.98 1r9p h LEU 82 N 1.42 0.00 -0.72 2.44 3.38 -1.98 -1.20 115.31 118.66 1r9p h LEU 82 Ca -0.49 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1r9p h LEU 82 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1r9p h LEU 82 CO 0.64 0.00 -0.43 -0.08 0.09 0.00 0.00 178.44 178.67 1r9p h GLU 83 N 0.00 0.47 0.06 1.13 4.57 -1.93 -1.77 114.58 117.12 1r9p h GLU 83 Ca -0.00 -0.24 -0.25 0.00 -1.18 0.00 0.00 59.36 57.69 1r9p h GLU 83 Cb 0.07 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1r9p h GLU 83 CO 0.00 0.81 -1.16 0.93 -1.18 0.00 0.00 179.01 178.41 1r9p h GLU 84 N 0.38 0.14 0.00 1.92 5.08 -1.62 -3.22 114.58 117.26 1r9p h GLU 84 Ca 0.03 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1r9p h GLU 84 Cb 0.91 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1r9p h GLU 84 CO 0.08 1.09 -0.11 0.00 -1.00 0.00 0.00 179.01 179.07 1r9p h ALA 85 N 0.78 0.98 -0.96 3.43 0.00 -1.37 -2.33 119.26 119.80 1r9p h ALA 85 Ca -0.09 -0.10 -0.50 0.00 0.00 0.00 0.00 54.91 54.23 1r9p h ALA 85 Cb 1.88 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 19.36 1r9p h ALA 85 CO 0.16 0.13 0.63 0.41 0.00 0.00 0.00 179.25 180.59 1r9p n GLY 86 N 0.45 4.41 0.00 0.00 0.00 -0.68 -4.34 105.19 105.03 1r9p n GLY 86 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1r9p n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n ALA 87 N -1.08 1.11 -0.39 4.61 0.00 -1.12 -4.85 120.51 118.78 1r9p n ALA 87 Ca 0.58 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.34 1r9p n ALA 87 Cb 1.62 0.00 0.53 0.00 0.00 0.00 0.00 19.45 21.60 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 -1.24 -0.14 -0.71 0.00 -5.35 -0.89 -4.84 119.36 106.19 1r9p n ILE 88 Ca 0.00 1.28 0.09 0.00 -0.27 0.00 0.00 62.75 63.85 1r9p n ILE 88 Cb 0.00 -2.10 -0.04 0.00 -1.74 0.00 0.00 39.64 35.76 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 -3.99 -1.57 -0.09 6.28 4.81 -1.26 -4.31 118.16 118.02 1r9p n LYS 89 Ca 0.31 1.21 -0.13 0.00 -0.87 0.00 0.00 58.31 58.82 1r9p n LYS 89 Cb 1.24 -1.87 -0.07 0.00 0.02 0.00 0.00 35.03 34.36 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 -0.69 0.00 -1.44 3.14 -1.07 -1.89 -3.36 115.58 110.27 1r9p h ASN 90 Ca -0.06 -0.27 0.46 0.00 0.07 0.00 0.00 56.30 56.51 1r9p h ASN 90 Cb 0.67 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.82 1r9p h ASN 90 CO 0.03 1.13 0.97 -1.20 0.07 0.00 0.00 177.43 178.43 1r9p n SER 91 N -4.53 0.12 0.19 6.14 7.64 -1.26 0.11 113.62 122.04 1r9p n SER 91 Ca -0.20 1.12 -0.15 0.00 1.01 0.00 0.00 58.87 60.65 1r9p n SER 91 Cb 0.47 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1r9p n SER 91 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1r9p h GLN 92 N 0.00 -0.40 -0.31 1.43 5.75 -1.75 -1.06 115.11 118.77 1r9p h GLN 92 Ca 0.81 0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 59.24 1r9p h GLN 92 Cb 2.87 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 31.49 1r9p h GLN 92 CO -0.27 -0.26 -0.24 0.82 -2.65 0.00 0.00 178.83 176.23 1r9p h ILE 93 N -0.43 1.27 -1.01 2.39 2.04 0.67 -2.13 117.51 120.30 1r9p h ILE 93 Ca -0.04 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.55 1r9p h ILE 93 Cb 0.33 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1r9p h ILE 93 CO 0.07 0.42 0.66 0.00 0.00 0.00 0.00 178.15 179.30 1r9p h ALA 94 N 1.21 1.35 -0.03 1.87 0.00 -0.82 -1.76 119.26 121.08 1r9p h ALA 94 Ca 0.08 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1r9p h ALA 94 Cb 0.70 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1r9p h ALA 94 CO 0.05 0.55 -0.82 1.49 0.00 0.00 0.00 179.25 180.52 1r9p h GLU 95 N 1.27 0.31 -0.58 0.00 4.81 -0.93 1.49 114.58 120.94 1r9p h GLU 95 Ca 0.41 -0.30 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1r9p h GLU 95 Cb 0.02 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1r9p h GLU 95 CO -0.13 0.97 0.22 1.49 -0.73 0.00 0.00 179.01 180.83 1r9p h GLU 96 N 0.19 0.39 -0.01 1.92 4.57 -0.66 -2.45 114.58 118.53 1r9p h GLU 96 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1r9p h GLU 96 Cb 1.42 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1r9p h GLU 96 CO 0.13 0.26 -0.48 1.28 -1.18 0.00 0.00 179.01 179.02 1r9p n LEU 97 N -5.00 1.35 -2.89 1.64 4.32 -1.01 -5.05 117.00 110.36 1r9p n LEU 97 Ca 0.08 -0.67 -0.03 0.00 -0.02 0.00 0.00 56.01 55.37 1r9p n LEU 97 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1r9p n LEU 97 CO 0.23 0.27 -0.43 -0.62 -1.22 0.00 0.00 177.39 175.62 1r9p n GLU 98 N -0.55 -2.50 -3.87 3.23 1.02 0.51 -5.01 120.64 113.47 1r9p n GLU 98 Ca 0.06 2.15 -0.22 0.00 -0.02 0.00 0.00 57.16 59.13 1r9p n GLU 98 Cb 0.31 -4.14 -0.04 0.00 -0.02 0.00 0.00 31.44 27.55 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1r9p s LEU 99 N -1.61 3.47 0.35 -4.62 1.43 -0.97 -5.00 118.68 111.72 1r9p s LEU 99 Ca 0.04 -0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 1r9p s LEU 99 Cb -0.01 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 1r9p s LEU 99 CO 0.59 -0.38 1.16 -2.16 0.23 0.00 0.00 176.35 175.79 1r9p s PRO 100 N -3.96 4.29 0.00 1.29 0.04 -1.26 -4.92 135.00 130.47 1r9p s PRO 100 Ca 0.41 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.41 1r9p s PRO 100 Cb -0.04 -2.88 0.65 0.00 0.04 0.00 0.00 34.50 32.26 1r9p s PRO 100 CO 0.25 -0.12 1.26 -0.35 0.04 0.00 0.00 177.00 178.08 1r9p n PRO 101 N 0.51 0.80 0.00 0.56 -0.04 -1.26 -3.11 135.00 132.47 1r9p n PRO 101 Ca 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1r9p n PRO 101 Cb 0.45 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -0.71 1.06 -1.47 0.52 0.31 -1.26 -4.21 118.33 112.57 1r9p n VAL 102 Ca 0.08 -0.69 0.05 0.00 -0.01 0.00 0.00 64.34 63.76 1r9p n VAL 102 Cb 0.04 -0.59 0.20 0.00 -0.91 0.00 0.00 33.84 32.57 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N -2.78 1.64 0.04 5.55 5.02 -1.18 -4.77 118.16 121.68 1r9p n LYS 103 Ca -0.13 -3.16 0.13 0.00 -2.02 0.00 0.00 58.31 53.13 1r9p n LYS 103 Cb 0.86 -1.65 0.21 0.00 -0.02 0.00 0.00 35.03 34.42 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 104 N -1.15 0.00 -0.48 -0.18 0.31 -1.24 -0.12 118.33 115.48 1r9p n VAL 104 Ca 0.22 1.03 0.41 0.00 -0.01 0.00 0.00 64.34 65.99 1r9p n VAL 104 Cb 0.76 -1.94 0.75 0.00 -0.91 0.00 0.00 33.84 32.50 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1r9p h HIS 105 N 0.00 0.13 0.00 3.52 2.07 -1.92 -1.61 115.15 117.34 1r9p h HIS 105 Ca 0.24 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 1r9p h HIS 105 Cb 2.27 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 32.21 1r9p h HIS 105 CO 0.00 -0.03 0.00 0.00 -3.07 0.00 0.00 177.93 174.83 1r9p h SER 107 N 0.00 -1.43 -1.15 0.00 4.64 -1.60 0.67 113.55 114.68 1r9p h SER 107 Ca 0.00 0.22 0.34 0.00 -0.47 0.00 0.00 61.79 61.88 1r9p h SER 107 Cb 0.00 0.62 -0.11 0.00 -0.31 0.00 0.00 62.40 62.60 1r9p h SER 107 CO 0.00 -0.37 0.73 0.40 -0.87 0.00 0.00 176.83 176.72 1r9p h ILE 108 N -0.34 0.33 -0.14 0.95 2.04 -1.35 0.46 117.51 119.47 1r9p h ILE 108 Ca 0.13 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1r9p h ILE 108 Cb 0.59 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1r9p h ILE 108 CO -0.57 0.05 0.04 0.25 0.00 0.00 0.00 178.15 177.93 1r9p h LEU 109 N 0.26 0.05 0.67 1.44 5.85 0.29 0.17 115.31 124.04 1r9p h LEU 109 Ca 0.70 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.41 1r9p h LEU 109 Cb 1.96 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 1r9p h LEU 109 CO -0.38 0.05 -0.40 0.00 -0.34 0.00 0.00 178.44 177.37 1r9p h ALA 110 N 1.08 -1.22 -0.94 1.25 0.00 0.26 0.01 119.26 119.71 1r9p h ALA 110 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r9p h ALA 110 Cb 0.03 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1r9p h ALA 110 CO -0.06 -1.18 0.00 -1.91 0.00 0.00 0.00 179.25 176.10 1r9p n GLU 111 N -4.95 0.00 -0.28 0.00 2.13 -0.93 -2.48 120.64 114.14 1r9p n GLU 111 Ca -0.12 0.47 -0.03 0.00 0.66 0.00 0.00 57.16 58.14 1r9p n GLU 111 Cb 0.41 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1r9p n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1r9p n ASP 112 N -1.74 -0.53 0.00 4.31 -0.08 0.60 -0.65 116.55 118.45 1r9p n ASP 112 Ca 0.00 1.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 1r9p n ASP 112 Cb 0.00 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1r9p n ASP 112 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r9p n ALA 113 N -3.59 -0.02 -0.52 -1.67 0.00 -0.01 0.19 120.51 114.90 1r9p n ALA 113 Ca 0.06 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.93 1r9p n ALA 113 Cb 0.26 0.46 0.75 0.00 0.00 0.00 0.00 19.45 20.92 1r9p n ALA 113 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1r9p h ILE 114 N 0.00 0.18 0.78 0.00 6.09 -0.56 0.16 117.51 124.16 1r9p h ILE 114 Ca 0.00 -0.01 -0.04 0.00 -1.37 0.00 0.00 64.86 63.44 1r9p h ILE 114 Cb 0.00 0.14 0.01 0.00 0.47 0.00 0.00 36.82 37.44 1r9p h ILE 114 CO 0.00 0.01 -0.38 0.50 -3.07 0.00 0.00 178.15 175.21 1r9p h LYS 115 N 0.04 -1.01 -0.76 2.19 1.63 0.29 -1.39 116.57 117.56 1r9p h LYS 115 Ca 0.78 0.07 0.19 0.00 -0.85 0.00 0.00 60.65 60.84 1r9p h LYS 115 Cb 2.95 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 34.77 1r9p h LYS 115 CO -0.11 -0.67 0.53 0.00 -3.45 0.00 0.00 179.45 175.75 1r9p h ALA 116 N -1.30 2.46 -0.23 5.00 0.00 0.91 0.04 119.26 126.15 1r9p h ALA 116 Ca -0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1r9p h ALA 116 Cb 0.80 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1r9p h ALA 116 CO 0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 1r9p h ALA 117 N 1.64 0.31 -0.49 0.00 0.00 -0.98 -0.08 119.26 119.66 1r9p h ALA 117 Ca 0.37 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1r9p h ALA 117 Cb 1.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1r9p h ALA 117 CO -0.06 0.08 0.30 0.82 0.00 0.00 0.00 179.25 180.39 1r9p h ILE 118 N 0.17 1.07 0.17 0.00 2.04 0.12 -0.19 117.51 120.89 1r9p h ILE 118 Ca 0.06 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1r9p h ILE 118 Cb 0.48 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1r9p h ILE 118 CO 0.02 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.20 1r9p h ALA 119 N 1.21 -0.22 -0.30 1.87 0.00 -1.28 -0.91 119.26 119.63 1r9p h ALA 119 Ca 0.19 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1r9p h ALA 119 Cb -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r9p h ALA 119 CO -0.07 -0.55 0.31 0.22 0.00 0.00 0.00 179.25 179.16 1r9p h ASP 120 N -0.38 0.00 0.08 0.00 1.82 -0.71 0.14 116.42 117.37 1r9p h ASP 120 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1r9p h ASP 120 Cb 0.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1r9p h ASP 120 CO 0.04 0.00 -0.04 0.22 -1.61 0.00 0.00 179.24 177.85 1r9p h TYR 121 N 0.00 -0.10 0.00 0.28 5.03 -0.16 -3.15 116.97 118.87 1r9p h TYR 121 Ca 0.14 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1r9p h TYR 121 Cb 0.76 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.07 1r9p h TYR 121 CO 0.00 0.39 0.00 1.17 -1.32 0.00 0.00 178.16 178.40 1r9p n LYS 122 N -4.81 0.57 0.02 1.82 4.81 -0.43 -2.45 118.16 117.69 1r9p n LYS 122 Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.28 1r9p n LYS 122 Cb 0.26 -1.48 -0.13 0.00 0.02 0.00 0.00 35.03 33.70 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r9p h ALA 123 N 3.10 0.56 -0.83 3.14 0.00 -0.71 -3.32 119.26 121.20 1r9p h ALA 123 Ca 0.00 -1.23 -0.51 0.00 0.00 0.00 0.00 54.91 53.17 1r9p h ALA 123 Cb 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 17.79 17.80 1r9p h ALA 123 CO 0.00 1.41 0.65 1.63 0.00 0.00 0.00 179.25 182.94 1r9p n LYS 124 N -3.21 2.25 0.00 0.00 4.01 -1.03 -4.11 118.16 116.06 1r9p n LYS 124 Ca -0.12 -2.63 0.00 0.00 -0.51 0.00 0.00 58.31 55.05 1r9p n LYS 124 Cb 1.01 -2.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1r9p n GLN 125 N -0.66 3.08 0.00 1.97 -0.06 -1.25 -4.61 117.38 115.85 1r9p n GLN 125 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1r9p n GLN 125 Cb 0.99 -0.95 0.00 0.00 -4.06 0.00 0.00 30.24 26.22 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1r9p n GLY 126 N 2.84 -2.20 0.17 1.69 0.00 -1.26 -4.53 105.19 101.90 1r9p n GLY 126 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.41 0.45 -0.26 0.99 4.77 -1.26 -4.96 117.00 116.32 1r9p n LEU 127 Ca 0.00 -0.85 -0.03 0.00 -0.03 0.00 0.00 56.01 55.10 1r9p n LEU 127 Cb 0.00 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1r9p n LEU 127 CO 0.00 0.21 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.62 1r9p n GLU 128 N -0.19 -1.87 -3.82 3.23 1.02 -1.26 -4.85 120.64 112.90 1r9p n GLU 128 Ca 0.01 0.43 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 1r9p n GLU 128 Cb 0.55 -4.36 -0.07 0.00 -0.02 0.00 0.00 31.44 27.54 1r9p n GLU 128 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r9p s HIS 129 N -0.96 0.07 0.00 -0.32 3.76 -1.26 -5.04 115.29 111.54 1r9p s HIS 129 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1r9p s HIS 129 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.69 1r9p s HIS 129 CO 0.00 -0.54 0.00 0.72 -0.85 0.00 0.00 174.74 174.07 1r9p n HIS 130 N 0.09 0.00 -1.85 1.40 -0.00 -1.26 -5.03 115.22 108.57 1r9p n HIS 130 Ca -0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.25 1r9p n HIS 130 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.57 1r9p n HIS 130 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1r9p s HIS 131 N -0.33 1.47 -2.00 4.41 3.76 -1.26 -4.74 115.29 116.59 1r9p s HIS 131 Ca 0.00 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1r9p s HIS 131 Cb 0.00 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 29.85 1r9p s HIS 131 CO 0.00 -2.08 0.11 0.72 -0.85 0.00 0.00 174.74 172.63 1r9p n HIS 132 N 14.86 0.00 0.29 1.40 -0.00 -1.26 -0.21 115.22 130.30 1r9p n HIS 132 Ca 0.34 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.09 1r9p n HIS 132 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 1r9p n HIS 132 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r9p n HIS 133 N -0.59 0.00 -0.33 4.41 -0.00 -1.26 -5.33 115.22 112.11 1r9p n HIS 133 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1r9p n HIS 133 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92