#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr0 n GLY 9 N 0.00 2.70 3.24 -5.12 0.00 -1.26 -5.01 105.19 99.73 1xr0 n GLY 9 Ca 0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1xr0 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xr0 s SER 10 N 0.00 6.32 -0.10 1.61 0.15 -1.26 -4.68 113.70 115.74 1xr0 s SER 10 Ca 0.00 -2.95 0.04 0.00 0.70 0.00 0.00 55.95 53.73 1xr0 s SER 10 Cb 0.00 -2.08 0.12 0.00 -1.71 0.00 0.00 66.02 62.35 1xr0 s SER 10 CO 0.00 -0.44 1.11 -0.67 1.20 0.00 0.00 173.24 174.44 1xr0 n ASP 11 N 3.51 -1.07 -3.21 5.45 -0.08 -1.26 -5.02 116.55 114.86 1xr0 n ASP 11 Ca 0.14 -1.96 -0.15 0.00 -1.51 0.00 0.00 54.79 51.32 1xr0 n ASP 11 Cb 0.42 0.39 0.07 0.00 2.34 0.00 0.00 41.12 44.35 1xr0 n ASP 11 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1xr0 n THR 12 N -0.45 -8.86 -4.07 5.18 -1.04 -1.26 -5.01 114.28 98.76 1xr0 n THR 12 Ca -0.23 -1.28 -0.33 0.00 -2.04 0.00 0.00 64.05 60.16 1xr0 n THR 12 Cb 0.73 -6.38 -0.15 0.00 -1.82 0.00 0.00 70.33 62.70 1xr0 n THR 12 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xr0 s VAL 13 N -3.38 2.26 0.94 12.58 1.01 -1.26 -5.12 120.40 127.42 1xr0 s VAL 13 Ca 0.43 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1xr0 s VAL 13 Cb -0.06 -2.17 0.15 0.00 0.00 0.00 0.00 36.38 34.31 1xr0 s VAL 13 CO 0.72 0.21 1.11 -2.16 0.00 0.00 0.00 175.10 174.97 1xr0 s PRO 14 N 1.21 0.94 -0.02 2.72 0.04 -1.26 -5.01 135.00 133.62 1xr0 s PRO 14 Ca -0.02 0.51 0.07 0.00 0.04 0.00 0.00 61.00 61.59 1xr0 s PRO 14 Cb -0.17 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1xr0 s PRO 14 CO -0.08 -2.38 0.13 -3.47 0.04 0.00 0.00 177.00 171.25 1xr0 n ASP 15 N -3.93 3.45 -4.00 6.66 2.03 -1.26 -4.85 116.55 114.64 1xr0 n ASP 15 Ca 0.06 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.03 1xr0 n ASP 15 Cb 0.57 1.22 -0.09 0.00 -0.72 0.00 0.00 41.12 42.10 1xr0 n ASP 15 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xr0 n ASN 16 N -1.80 1.88 -2.71 1.67 3.02 -1.26 -4.28 115.26 111.78 1xr0 n ASN 16 Ca -0.02 -2.58 -0.08 0.00 -0.03 0.00 0.00 54.58 51.87 1xr0 n ASN 16 Cb 0.25 -1.19 0.10 0.00 -0.61 0.00 0.00 39.78 38.33 1xr0 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xr0 n HIS 17 N 12.28 -2.55 -3.95 3.10 1.44 -1.26 -5.11 115.22 119.16 1xr0 n HIS 17 Ca 0.46 -1.95 -0.29 0.00 -2.01 0.00 0.00 57.72 53.93 1xr0 n HIS 17 Cb 0.44 1.60 -0.17 0.00 0.12 0.00 0.00 29.99 31.98 1xr0 n HIS 17 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 1xr0 s ARG 18 N 0.22 1.81 -0.39 -1.40 1.70 -1.26 -4.99 118.95 114.63 1xr0 s ARG 18 Ca 0.21 -0.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 1xr0 s ARG 18 Cb 0.34 -1.97 0.13 0.00 -0.57 0.00 0.00 34.95 32.88 1xr0 s ARG 18 CO -0.07 -0.32 0.20 -0.80 -1.08 0.00 0.00 175.30 173.22 1xr0 s ASN 19 N 1.58 3.63 0.31 -2.89 0.01 -1.26 -5.11 114.94 111.21 1xr0 s ASN 19 Ca 0.03 -2.29 0.00 0.00 -0.71 0.00 0.00 52.86 49.89 1xr0 s ASN 19 Cb -0.14 -0.88 0.00 0.00 0.41 0.00 0.00 41.25 40.64 1xr0 s ASN 19 CO -0.09 -0.31 0.02 2.29 -1.51 0.00 0.00 177.10 177.50 1xr0 n LYS 20 N 3.97 1.23 -3.57 -0.60 0.00 -1.26 -2.59 118.16 115.34 1xr0 n LYS 20 Ca 0.06 -2.25 -0.07 0.00 -0.00 0.00 0.00 58.31 56.06 1xr0 n LYS 20 Cb 0.37 0.57 -0.08 0.00 -0.00 0.00 0.00 35.03 35.89 1xr0 n LYS 20 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1xr0 s PHE 21 N -2.08 -0.93 -0.97 5.58 0.08 0.31 -4.91 117.98 115.05 1xr0 s PHE 21 Ca 0.01 1.53 -0.26 0.00 0.12 0.00 0.00 56.93 58.34 1xr0 s PHE 21 Cb -0.00 0.34 -0.21 0.00 -0.57 0.00 0.00 43.02 42.58 1xr0 s PHE 21 CO 0.01 -0.57 2.17 1.17 -0.10 0.00 0.00 175.22 177.90 1xr0 n LYS 22 N 5.40 0.22 -3.54 0.44 4.81 -1.26 -0.75 118.16 123.48 1xr0 n LYS 22 Ca -0.08 -1.39 -0.38 0.00 -0.87 0.00 0.00 58.31 55.59 1xr0 n LYS 22 Cb 0.50 -3.76 -0.06 0.00 0.02 0.00 0.00 35.03 31.72 1xr0 n LYS 22 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1xr0 s VAL 23 N 16.08 5.07 -0.12 3.15 -7.23 0.53 -4.63 120.40 133.25 1xr0 s VAL 23 Ca 0.83 0.77 -0.21 0.00 -1.81 0.00 0.00 61.98 61.56 1xr0 s VAL 23 Cb -0.08 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 1xr0 s VAL 23 CO 0.16 0.57 0.60 -0.63 -0.31 0.00 0.00 175.10 175.49 1xr0 s ILE 24 N -1.09 5.09 -0.60 -0.62 1.01 -0.71 -0.54 121.20 123.74 1xr0 s ILE 24 Ca 0.23 1.21 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 1xr0 s ILE 24 Cb -0.16 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1xr0 s ILE 24 CO 0.13 0.24 1.20 0.54 0.00 0.00 0.00 174.94 177.05 1xr0 s ASN 25 N 0.84 6.42 0.18 3.58 4.22 -1.26 -2.26 114.94 126.65 1xr0 s ASN 25 Ca 0.31 0.04 0.04 0.00 -2.14 0.00 0.00 52.86 51.12 1xr0 s ASN 25 Cb -0.16 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 39.78 1xr0 s ASN 25 CO 0.13 -1.52 0.24 0.68 -2.04 0.00 0.00 177.10 174.59 1xr0 s VAL 26 N 5.03 4.95 0.14 3.54 -7.23 -1.04 -1.13 120.40 124.67 1xr0 s VAL 26 Ca 0.42 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1xr0 s VAL 26 Cb -0.08 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1xr0 s VAL 26 CO 0.24 -0.17 0.20 -0.90 -0.31 0.00 0.00 175.10 174.16 1xr0 n ASP 27 N -0.70 0.37 -0.12 4.85 5.68 -1.26 -4.50 116.55 120.87 1xr0 n ASP 27 Ca -0.08 -1.29 -0.11 0.00 -0.50 0.00 0.00 54.79 52.81 1xr0 n ASP 27 Cb 0.55 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 40.33 1xr0 n ASP 27 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1xr0 h ASP 28 N -0.06 -1.51 -0.14 -1.12 3.58 -1.99 -1.98 116.42 113.21 1xr0 h ASP 28 Ca -0.07 0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.61 1xr0 h ASP 28 Cb 0.27 0.62 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 1xr0 h ASP 28 CO 0.08 -0.32 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.28 1xr0 h ASP 29 N -0.31 -0.22 0.00 2.28 1.82 -2.04 -3.47 116.42 114.49 1xr0 h ASP 29 Ca 0.06 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1xr0 h ASP 29 Cb 0.47 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1xr0 h ASP 29 CO -0.49 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 177.66 1xr0 n GLY 30 N -1.20 0.71 1.33 -0.78 0.00 -0.74 -5.03 105.19 99.48 1xr0 n GLY 30 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xr0 n GLY 30 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xr0 n ASN 31 N 0.00 4.00 -1.67 1.61 5.15 -1.26 -4.91 115.26 118.18 1xr0 n ASN 31 Ca 0.00 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 1xr0 n ASN 31 Cb 0.00 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1xr0 n ASN 31 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xr0 n GLU 32 N -0.47 -4.76 0.00 1.20 1.02 -1.26 -4.99 120.64 111.38 1xr0 n GLU 32 Ca 0.30 3.56 -0.04 0.00 -0.02 0.00 0.00 57.16 60.97 1xr0 n GLU 32 Cb 1.09 -4.05 -0.01 0.00 -0.02 0.00 0.00 31.44 28.44 1xr0 n GLU 32 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xr0 n LEU 33 N -1.06 1.10 0.00 -4.62 4.77 -0.28 -4.84 117.00 112.06 1xr0 n LEU 33 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1xr0 n LEU 33 Cb 0.05 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1xr0 n LEU 33 CO 0.00 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.25 1xr0 n GLY 34 N 2.86 2.67 0.00 -0.72 0.00 -1.24 -5.04 105.19 103.72 1xr0 n GLY 34 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1xr0 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xr0 n SER 35 N 0.00 0.00 -4.38 1.61 2.88 -1.26 -4.58 113.62 107.89 1xr0 n SER 35 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1xr0 n SER 35 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1xr0 n SER 35 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xr0 s GLY 36 N 0.00 1.70 -0.44 0.46 0.00 0.30 -4.61 107.32 104.73 1xr0 s GLY 36 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 44.72 42.73 1xr0 s GLY 36 CO 0.00 -1.74 0.35 -0.42 0.00 0.00 0.00 173.10 171.28 1xr0 s ILE 37 N -3.26 5.22 -0.09 0.90 -1.09 -0.53 -0.35 121.20 122.00 1xr0 s ILE 37 Ca 0.29 -0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 57.54 1xr0 s ILE 37 Cb 0.05 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1xr0 s ILE 37 CO 0.10 -0.45 1.29 -0.32 -1.23 0.00 0.00 174.94 174.33 1xr0 s MET 38 N 1.66 4.28 -0.09 2.79 -2.45 0.07 -0.40 119.30 125.16 1xr0 s MET 38 Ca 0.04 1.75 0.04 0.00 -1.25 0.00 0.00 55.69 56.27 1xr0 s MET 38 Cb -0.22 -3.67 -0.01 0.00 1.25 0.00 0.00 34.83 32.18 1xr0 s MET 38 CO 0.08 -0.60 -0.21 -2.00 1.05 0.00 0.00 175.02 173.34 1xr0 s GLU 39 N 2.87 2.91 -0.64 4.11 2.12 0.11 0.11 118.70 130.29 1xr0 s GLU 39 Ca 0.58 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 55.13 1xr0 s GLU 39 Cb -0.25 -2.33 0.28 0.00 0.26 0.00 0.00 34.13 32.09 1xr0 s GLU 39 CO 0.20 0.29 0.84 1.28 -0.54 0.00 0.00 175.26 177.34 1xr0 n LEU 40 N 3.22 4.11 0.00 2.70 4.32 -1.07 -0.34 117.00 129.95 1xr0 n LEU 40 Ca -0.18 -5.52 0.00 0.00 -0.02 0.00 0.00 56.01 50.29 1xr0 n LEU 40 Cb 0.52 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1xr0 n LEU 40 CO 0.27 2.14 0.00 0.35 -1.22 0.00 0.00 177.39 178.94 1xr0 n THR 41 N 0.51 0.00 0.39 -5.08 -2.24 -0.44 -4.82 114.28 102.60 1xr0 n THR 41 Ca 0.30 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.22 1xr0 n THR 41 Cb 0.40 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.14 1xr0 n THR 41 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xr0 h ASP 42 N -1.29 0.00 0.00 3.42 5.19 -1.98 -3.36 116.42 118.40 1xr0 h ASP 42 Ca 0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 1xr0 h ASP 42 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1xr0 h ASP 42 CO 0.00 0.00 -0.27 0.35 -3.12 0.00 0.00 179.24 176.20 1xr0 n THR 43 N -2.48 0.00 0.00 0.35 -2.24 -1.26 -5.14 114.28 103.51 1xr0 n THR 43 Ca 0.02 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1xr0 n THR 43 Cb 0.29 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1xr0 n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xr0 n GLU 44 N -0.19 0.00 -2.94 -0.78 4.07 -1.26 -4.77 120.64 114.77 1xr0 n GLU 44 Ca -0.04 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.65 1xr0 n GLU 44 Cb 0.77 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 32.15 1xr0 n GLU 44 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1xr0 n LEU 45 N 0.00 6.46 -4.58 4.31 7.94 -1.03 -1.33 117.00 128.76 1xr0 n LEU 45 Ca 0.00 -5.28 -0.42 0.00 -1.11 0.00 0.00 56.01 49.20 1xr0 n LEU 45 Cb 0.00 -1.20 -0.02 0.00 0.53 0.00 0.00 43.42 42.73 1xr0 n LEU 45 CO 0.00 1.82 1.26 -0.63 -1.11 0.00 0.00 177.39 178.73 1xr0 s ILE 46 N -3.18 3.81 -0.95 1.96 1.01 0.54 -2.55 121.20 121.83 1xr0 s ILE 46 Ca 0.34 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 1xr0 s ILE 46 Cb 0.09 -4.34 0.19 0.00 0.01 0.00 0.00 42.46 38.42 1xr0 s ILE 46 CO 0.04 -1.01 1.03 -0.22 0.00 0.00 0.00 174.94 174.78 1xr0 s LEU 47 N 5.94 5.90 0.53 2.97 2.96 0.02 0.04 118.68 137.03 1xr0 s LEU 47 Ca 0.56 -2.65 -0.21 0.00 -0.22 0.00 0.00 54.13 51.62 1xr0 s LEU 47 Cb -0.12 -2.30 -0.07 0.00 0.50 0.00 0.00 46.19 44.20 1xr0 s LEU 47 CO 0.28 -0.72 1.05 -1.22 -1.32 0.00 0.00 176.35 174.41 1xr0 n TYR 48 N 4.88 1.20 -3.63 5.38 4.01 0.46 -1.71 117.16 127.75 1xr0 n TYR 48 Ca 0.22 0.47 -0.09 0.00 -0.16 0.00 0.00 57.90 58.34 1xr0 n TYR 48 Cb 0.46 -2.21 -0.07 0.00 -0.31 0.00 0.00 39.34 37.21 1xr0 n TYR 48 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1xr0 s THR 49 N -1.40 0.00 -1.90 -0.72 -1.32 0.02 -1.46 115.64 108.87 1xr0 s THR 49 Ca 0.70 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.18 1xr0 s THR 49 Cb -0.46 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1xr0 s THR 49 CO 0.51 0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.78 1xr0 n ARG 50 N 2.06 -1.46 -2.10 7.08 0.00 -1.26 -0.84 116.66 120.14 1xr0 n ARG 50 Ca -0.12 1.06 -0.08 0.00 -0.00 0.00 0.00 57.85 58.70 1xr0 n ARG 50 Cb 0.56 -5.43 -0.01 0.00 0.00 0.00 0.00 32.46 27.57 1xr0 n ARG 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1xr0 n LYS 51 N -2.30 -2.09 0.05 -0.14 0.00 -1.26 -4.40 118.16 108.01 1xr0 n LYS 51 Ca -0.19 0.43 0.00 0.00 0.00 0.00 0.00 58.31 58.55 1xr0 n LYS 51 Cb 0.61 -4.88 0.00 0.00 0.00 0.00 0.00 35.03 30.76 1xr0 n LYS 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xr0 n ARG 52 N -2.36 0.00 -2.69 1.64 1.74 -0.84 -5.10 116.66 109.04 1xr0 n ARG 52 Ca -0.09 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1xr0 n ARG 52 Cb 0.49 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 1xr0 n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xr0 s ASP 53 N -3.13 7.32 -0.39 0.55 1.01 -0.02 -4.93 116.67 117.08 1xr0 s ASP 53 Ca 0.00 1.64 0.04 0.00 0.71 0.00 0.00 52.55 54.94 1xr0 s ASP 53 Cb 0.00 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.47 1xr0 s ASP 53 CO 0.00 -0.32 0.11 -0.44 0.21 0.00 0.00 175.17 174.73 1xr0 s SER 54 N 1.04 4.61 -1.28 0.27 0.01 -1.26 -0.80 113.70 116.30 1xr0 s SER 54 Ca 0.51 -2.38 -0.19 0.00 1.31 0.00 0.00 55.95 55.21 1xr0 s SER 54 Cb -0.21 -1.60 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1xr0 s SER 54 CO 0.25 -0.34 1.82 0.52 0.41 0.00 0.00 173.24 175.90 1xr0 n VAL 55 N 3.95 3.45 -3.76 3.43 0.31 -0.69 -4.78 118.33 120.24 1xr0 n VAL 55 Ca 0.04 -3.55 -0.36 0.00 -0.01 0.00 0.00 64.34 60.46 1xr0 n VAL 55 Cb 0.39 -2.33 -0.13 0.00 -0.91 0.00 0.00 33.84 30.87 1xr0 n VAL 55 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1xr0 s LYS 56 N 4.64 3.65 0.30 5.55 0.00 -1.26 -0.80 119.74 131.82 1xr0 s LYS 56 Ca 0.57 -0.48 0.04 0.00 0.00 0.00 0.00 55.97 56.09 1xr0 s LYS 56 Cb 0.04 -3.31 0.05 0.00 0.00 0.00 0.00 37.83 34.61 1xr0 s LYS 56 CO 0.08 -0.18 0.42 0.91 0.00 0.00 0.00 175.35 176.58 1xr0 n TRP 57 N 4.90 -2.78 -0.92 1.78 8.01 -1.06 -4.88 117.44 122.49 1xr0 n TRP 57 Ca -0.16 -1.00 -0.22 0.00 -1.31 0.00 0.00 57.50 54.81 1xr0 n TRP 57 Cb 0.51 -0.29 0.13 0.00 -2.01 0.00 0.00 31.31 29.65 1xr0 n TRP 57 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 1xr0 n HIS 58 N -1.75 2.58 0.00 -5.99 -0.00 -1.26 -2.46 115.22 106.34 1xr0 n HIS 58 Ca 0.08 -1.84 0.00 0.00 0.46 0.00 0.00 57.72 56.42 1xr0 n HIS 58 Cb 0.29 -0.93 0.00 0.00 -0.12 0.00 0.00 29.99 29.24 1xr0 n HIS 58 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1xr0 n TYR 59 N -0.80 0.00 1.85 1.57 4.01 -1.26 -3.51 117.16 119.03 1xr0 n TYR 59 Ca 0.50 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.34 1xr0 n TYR 59 Cb 1.31 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 40.84 1xr0 n TYR 59 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 1xr0 n LEU 60 N 0.00 0.33 0.00 7.72 -0.00 -1.26 -3.54 117.00 120.25 1xr0 n LEU 60 Ca 0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 56.01 55.92 1xr0 n LEU 60 Cb 0.00 -0.02 0.24 0.00 -0.00 0.00 0.00 43.42 43.64 1xr0 n LEU 60 CO 0.00 0.07 0.66 0.00 -0.00 0.00 0.00 177.39 178.12 1xr0 n LEU 62 N -1.45 0.00 0.00 0.00 4.77 -1.23 -3.86 117.00 115.22 1xr0 n LEU 62 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xr0 n LEU 62 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1xr0 n LEU 62 CO 0.10 -0.12 0.00 -1.14 -1.33 0.00 0.00 177.39 174.90 1xr0 n ARG 63 N 0.00 0.00 -3.55 3.23 0.00 0.26 -3.92 116.66 112.68 1xr0 n ARG 63 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1xr0 n ARG 63 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 32.46 32.31 1xr0 n ARG 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1xr0 s ARG 64 N -1.46 0.58 -0.07 -0.14 0.52 -1.03 -5.01 118.95 112.33 1xr0 s ARG 64 Ca 0.00 1.36 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 1xr0 s ARG 64 Cb 0.00 0.81 -0.02 0.00 0.52 0.00 0.00 34.95 36.26 1xr0 s ARG 64 CO 0.00 -0.28 -0.21 1.52 0.02 0.00 0.00 175.30 176.35 1xr0 s TYR 65 N 2.89 2.56 0.16 -0.53 1.13 -1.26 -1.95 117.35 120.34 1xr0 s TYR 65 Ca -0.01 -0.57 0.03 0.00 -1.41 0.00 0.00 57.07 55.11 1xr0 s TYR 65 Cb -0.13 -1.64 -0.01 0.00 -1.10 0.00 0.00 41.96 39.08 1xr0 s TYR 65 CO -0.19 -0.12 0.15 0.41 -2.51 0.00 0.00 175.55 173.29 1xr0 n GLY 66 N 2.88 3.37 3.58 5.49 0.00 0.71 -4.97 105.19 116.24 1xr0 n GLY 66 Ca -0.17 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1xr0 n GLY 66 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xr0 s TYR 67 N -2.84 -0.48 -0.32 1.61 1.13 -1.26 -0.85 117.35 114.34 1xr0 s TYR 67 Ca 0.19 0.93 0.02 0.00 -1.41 0.00 0.00 57.07 56.80 1xr0 s TYR 67 Cb 0.01 0.41 0.09 0.00 -1.10 0.00 0.00 41.96 41.37 1xr0 s TYR 67 CO 0.13 -0.37 0.05 0.34 -2.51 0.00 0.00 175.55 173.18 1xr0 s ASP 68 N -0.74 4.50 0.00 -0.18 -1.08 -0.64 -4.93 116.67 113.60 1xr0 s ASP 68 Ca -0.02 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.09 1xr0 s ASP 68 Cb -0.02 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.04 1xr0 s ASP 68 CO 0.02 -0.37 0.00 -0.24 0.52 0.00 0.00 175.17 175.10 1xr0 n SER 69 N 4.44 0.00 -1.92 -0.34 2.88 -1.26 -1.00 113.62 116.42 1xr0 n SER 69 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1xr0 n SER 69 Cb 0.42 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1xr0 n SER 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xr0 n ASN 70 N 1.70 4.00 -3.92 -3.46 3.02 -1.26 -4.43 115.26 110.92 1xr0 n ASN 70 Ca 0.00 -3.52 -0.28 0.00 -0.03 0.00 0.00 54.58 50.75 1xr0 n ASN 70 Cb 0.00 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 38.62 1xr0 n ASN 70 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xr0 s LEU 71 N -3.50 1.34 -0.45 3.41 0.20 -0.17 -1.71 118.68 117.80 1xr0 s LEU 71 Ca 0.46 -0.40 -0.24 0.00 0.69 0.00 0.00 54.13 54.64 1xr0 s LEU 71 Cb 0.39 -0.90 0.03 0.00 -0.43 0.00 0.00 46.19 45.28 1xr0 s LEU 71 CO 0.01 -0.12 0.86 0.12 -0.29 0.00 0.00 176.35 176.93 1xr0 s PHE 72 N 1.66 2.96 -0.15 5.38 5.36 0.74 -1.62 117.98 132.32 1xr0 s PHE 72 Ca 0.04 0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.30 1xr0 s PHE 72 Cb -0.13 -3.81 -0.01 0.00 -0.34 0.00 0.00 43.02 38.73 1xr0 s PHE 72 CO -0.08 -1.03 -0.13 -1.54 -1.46 0.00 0.00 175.22 170.97 1xr0 s SER 73 N 2.19 3.91 -0.16 6.13 1.04 -0.03 -0.18 113.70 126.60 1xr0 s SER 73 Ca 0.34 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 1xr0 s SER 73 Cb -0.11 -1.61 0.05 0.00 0.10 0.00 0.00 66.02 64.45 1xr0 s SER 73 CO 0.24 0.11 0.40 0.72 0.98 0.00 0.00 173.24 175.69 1xr0 s PHE 74 N 0.65 -0.53 -0.10 5.02 -0.71 -1.05 -0.21 117.98 121.04 1xr0 s PHE 74 Ca -0.07 1.18 0.03 0.00 -1.04 0.00 0.00 56.93 57.03 1xr0 s PHE 74 Cb -0.15 0.21 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 1xr0 s PHE 74 CO 0.02 -0.29 -0.18 -2.00 -1.34 0.00 0.00 175.22 171.43 1xr0 s GLU 75 N 1.01 2.46 -0.03 1.99 -6.30 -0.82 -1.88 118.70 115.13 1xr0 s GLU 75 Ca -0.06 -0.66 0.07 0.00 -2.50 0.00 0.00 54.97 51.82 1xr0 s GLU 75 Cb -0.07 -1.98 -0.02 0.00 0.00 0.00 0.00 34.13 32.06 1xr0 s GLU 75 CO -0.08 0.04 -0.25 -1.54 0.02 0.00 0.00 175.26 173.44 1xr0 s SER 76 N 0.70 3.00 1.33 -1.70 1.04 -1.25 0.89 113.70 117.71 1xr0 s SER 76 Ca -0.12 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.65 1xr0 s SER 76 Cb -0.16 -0.44 0.33 0.00 0.10 0.00 0.00 66.02 65.85 1xr0 s SER 76 CO 0.03 0.30 0.84 0.61 0.98 0.00 0.00 173.24 176.00 1xr0 n GLY 77 N 2.56 -3.12 3.68 7.32 0.00 -1.25 -4.04 105.19 110.34 1xr0 n GLY 77 Ca -0.16 -1.42 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 1xr0 n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xr0 n ARG 78 N -5.08 2.29 0.00 1.61 0.63 -1.26 -4.76 116.66 110.09 1xr0 n ARG 78 Ca 0.08 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1xr0 n ARG 78 Cb 0.56 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.86 1xr0 n ARG 78 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1xr0 n ARG 79 N 3.66 0.00 -1.70 -0.14 3.00 -1.26 -5.04 116.66 115.18 1xr0 n ARG 79 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1xr0 n ARG 79 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 1xr0 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xr0 n GLN 81 N 0.00 0.00 -0.09 0.00 3.00 -1.26 -2.54 117.38 116.49 1xr0 n GLN 81 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1xr0 n GLN 81 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1xr0 n GLN 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1xr0 n THR 82 N 0.00 1.00 0.00 5.09 -2.24 -1.26 -5.10 114.28 111.77 1xr0 n THR 82 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1xr0 n THR 82 Cb 0.00 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1xr0 n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr0 n GLY 83 N 2.62 0.90 3.85 3.38 0.00 -1.05 -5.09 105.19 109.80 1xr0 n GLY 83 Ca -0.30 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 1xr0 n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xr0 s GLN 84 N -1.70 3.76 0.00 1.61 -0.44 -1.26 -4.68 119.66 116.95 1xr0 s GLN 84 Ca 0.00 0.22 0.00 0.00 -2.50 0.00 0.00 55.36 53.08 1xr0 s GLN 84 Cb 0.00 -3.18 0.00 0.00 -1.64 0.00 0.00 33.01 28.19 1xr0 s GLN 84 CO 0.00 0.70 0.00 0.41 0.50 0.00 0.00 175.29 176.90 1xr0 n GLY 85 N 1.72 0.81 3.87 2.59 0.00 -1.26 -5.03 105.19 107.89 1xr0 n GLY 85 Ca -0.15 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1xr0 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr0 s ILE 86 N -1.42 4.89 -0.02 -0.61 1.01 -1.26 -3.84 121.20 119.95 1xr0 s ILE 86 Ca 0.00 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.27 1xr0 s ILE 86 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1xr0 s ILE 86 CO 0.00 -0.11 -0.25 -0.36 0.00 0.00 0.00 174.94 174.22 1xr0 s PHE 87 N -1.87 2.36 -0.06 3.97 0.08 -0.79 -4.99 117.98 116.68 1xr0 s PHE 87 Ca 0.49 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 57.18 1xr0 s PHE 87 Cb -0.11 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1xr0 s PHE 87 CO 0.21 -0.02 -0.25 0.00 -0.10 0.00 0.00 175.22 175.07 1xr0 s ALA 88 N -0.62 2.14 0.02 5.36 0.00 -1.26 -2.54 121.76 124.86 1xr0 s ALA 88 Ca 0.10 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1xr0 s ALA 88 Cb -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1xr0 s ALA 88 CO -0.01 0.40 -0.04 -0.06 0.00 0.00 0.00 175.76 176.04 1xr0 s PHE 89 N -0.10 0.39 -0.26 0.00 0.08 0.75 -2.49 117.98 116.34 1xr0 s PHE 89 Ca -0.05 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1xr0 s PHE 89 Cb -0.14 -0.25 0.05 0.00 -0.57 0.00 0.00 43.02 42.11 1xr0 s PHE 89 CO 0.04 -0.10 -0.08 0.15 -0.10 0.00 0.00 175.22 175.14 1xr0 s LYS 90 N -1.06 2.45 0.20 0.44 1.02 -0.96 -0.19 119.74 121.64 1xr0 s LYS 90 Ca -0.09 -1.23 -0.07 0.00 0.02 0.00 0.00 55.97 54.61 1xr0 s LYS 90 Cb -0.07 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1xr0 s LYS 90 CO -0.00 -0.53 0.27 0.00 -0.92 0.00 0.00 175.35 174.18 1xr0 n ALA 92 N -0.28 2.35 -0.54 0.00 0.00 -1.26 -4.12 120.51 116.66 1xr0 n ALA 92 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1xr0 n ALA 92 Cb 0.64 -0.68 0.20 0.00 0.00 0.00 0.00 19.45 19.60 1xr0 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xr0 n ARG 93 N -2.51 2.72 -0.32 0.00 3.00 -1.26 -4.51 116.66 113.78 1xr0 n ARG 93 Ca -0.11 -2.26 0.18 0.00 -0.01 0.00 0.00 57.85 55.65 1xr0 n ARG 93 Cb 0.74 -1.95 0.43 0.00 0.00 0.00 0.00 32.46 31.68 1xr0 n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xr0 h ALA 94 N 2.17 1.97 0.52 7.54 0.00 -1.82 -1.05 119.26 128.60 1xr0 h ALA 94 Ca 0.28 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1xr0 h ALA 94 Cb 2.06 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.83 1xr0 h ALA 94 CO 0.63 -0.36 -0.25 1.49 0.00 0.00 0.00 179.25 180.76 1xr0 h GLU 95 N 0.55 -0.68 -0.31 0.00 4.81 -1.79 -1.86 114.58 115.30 1xr0 h GLU 95 Ca 0.58 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.89 1xr0 h GLU 95 Cb 1.20 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 1xr0 h GLU 95 CO -0.33 -0.44 -0.36 0.93 -0.73 0.00 0.00 179.01 178.08 1xr0 h GLU 96 N -0.73 -0.22 -0.19 1.92 4.39 -1.56 0.35 114.58 118.55 1xr0 h GLU 96 Ca -0.07 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1xr0 h GLU 96 Cb 0.55 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1xr0 h GLU 96 CO 0.12 -0.14 -0.39 1.25 -1.16 0.00 0.00 179.01 178.68 1xr0 h LEU 97 N -0.22 -1.28 0.00 1.33 6.46 -1.43 0.29 115.31 120.46 1xr0 h LEU 97 Ca 0.05 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1xr0 h LEU 97 Cb 0.37 0.51 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1xr0 h LEU 97 CO -0.41 -0.32 0.00 0.33 -0.62 0.00 0.00 178.44 177.42 1xr0 n PHE 98 N -4.61 0.00 -0.35 1.25 7.35 -0.70 -0.32 117.46 120.07 1xr0 n PHE 98 Ca -0.03 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.67 1xr0 n PHE 98 Cb 0.26 -0.46 0.07 0.00 0.35 0.00 0.00 39.48 39.70 1xr0 n PHE 98 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1xr0 n ASN 99 N -2.40 -0.52 0.11 -2.13 2.85 0.12 -0.53 115.26 112.76 1xr0 n ASN 99 Ca 0.00 1.63 -0.10 0.00 -0.11 0.00 0.00 54.58 56.01 1xr0 n ASN 99 Cb 0.00 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 1xr0 n ASN 99 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1xr0 h MET 100 N 0.00 -0.48 -0.88 1.20 4.05 0.02 -2.07 114.93 116.78 1xr0 h MET 100 Ca 0.37 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.97 1xr0 h MET 100 Cb 0.60 0.11 -0.15 0.00 -0.80 0.00 0.00 31.60 31.36 1xr0 h MET 100 CO -0.95 -0.32 -0.35 1.25 0.23 0.00 0.00 176.91 176.78 1xr0 h LEU 101 N -0.49 -1.27 -1.38 3.39 5.85 0.16 1.37 115.31 122.94 1xr0 h LEU 101 Ca -0.02 0.28 0.25 0.00 0.84 0.00 0.00 57.88 59.24 1xr0 h LEU 101 Cb 0.46 0.68 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1xr0 h LEU 101 CO -0.10 -0.29 0.66 1.56 -0.34 0.00 0.00 178.44 179.93 1xr0 h GLN 102 N -0.04 0.40 0.12 1.25 4.20 -0.48 0.18 115.11 120.73 1xr0 h GLN 102 Ca 0.33 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.78 1xr0 h GLN 102 Cb 0.60 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.31 1xr0 h GLN 102 CO -0.90 0.26 -1.00 1.49 -0.67 0.00 0.00 178.83 178.01 1xr0 h GLU 103 N 0.41 0.47 -0.03 1.46 4.57 0.23 -3.15 114.58 118.54 1xr0 h GLU 103 Ca 0.57 -0.66 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1xr0 h GLU 103 Cb 1.43 0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1xr0 h GLU 103 CO -0.27 1.29 0.04 0.82 -1.18 0.00 0.00 179.01 179.70 1xr0 h ILE 104 N -0.02 0.38 0.21 2.32 2.04 0.24 -1.91 117.51 120.75 1xr0 h ILE 104 Ca -0.16 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.41 1xr0 h ILE 104 Cb 1.73 0.97 0.03 0.00 -0.74 0.00 0.00 36.82 38.81 1xr0 h ILE 104 CO 0.19 0.00 -1.28 0.24 0.00 0.00 0.00 178.15 177.30 1xr0 h MET 105 N 0.00 0.49 0.00 2.37 2.86 -0.94 -3.25 114.93 116.46 1xr0 h MET 105 Ca 0.01 -0.81 -0.02 0.00 -2.06 0.00 0.00 59.70 56.82 1xr0 h MET 105 Cb 0.09 0.30 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1xr0 h MET 105 CO -0.00 1.38 -0.11 1.96 1.06 0.00 0.00 176.91 181.20 1xr0 h GLN 106 N 0.03 0.00 -0.02 1.72 4.20 -1.32 0.42 115.11 120.14 1xr0 h GLN 106 Ca -0.22 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 1xr0 h GLN 106 Cb 2.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 1xr0 h GLN 106 CO 0.24 0.11 -0.67 -0.97 -0.67 0.00 0.00 178.83 176.88 1xr0 h ASN 107 N 0.00 0.14 -0.09 1.46 -0.73 -1.50 -3.21 115.58 111.64 1xr0 h ASN 107 Ca -0.00 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.08 1xr0 h ASN 107 Cb 0.33 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 1xr0 h ASN 107 CO 0.01 0.76 -0.02 -3.20 -0.37 0.00 0.00 177.43 174.62 1xr0 n ASN 108 N -3.78 2.81 -1.82 1.15 5.15 -0.83 -4.95 115.26 112.99 1xr0 n ASN 108 Ca -0.02 -3.12 -0.11 0.00 -0.60 0.00 0.00 54.58 50.73 1xr0 n ASN 108 Cb 0.66 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1xr0 n ASN 108 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xr0 n SER 109 N -1.13 -3.30 -4.52 1.20 7.64 0.68 -4.89 113.62 109.31 1xr0 n SER 109 Ca 0.18 0.25 -0.32 0.00 1.01 0.00 0.00 58.87 60.00 1xr0 n SER 109 Cb 0.73 -2.99 0.16 0.00 -1.01 0.00 0.00 64.21 61.10 1xr0 n SER 109 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xr0 n ILE 110 N -2.44 0.00 -3.15 0.44 5.41 0.12 -4.95 119.36 114.79 1xr0 n ILE 110 Ca -0.12 -0.15 -0.39 0.00 1.00 0.00 0.00 62.75 63.08 1xr0 n ILE 110 Cb 0.47 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.53 1xr0 n ILE 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1xr0 s ASN 111 N -2.31 6.74 -0.36 4.38 -0.87 -1.26 -4.77 114.94 116.50 1xr0 s ASN 111 Ca 0.62 0.90 0.14 0.00 -1.57 0.00 0.00 52.86 52.95 1xr0 s ASN 111 Cb -0.22 -2.35 0.40 0.00 -0.02 0.00 0.00 41.25 39.07 1xr0 s ASN 111 CO 0.63 -0.17 0.94 1.33 -2.57 0.00 0.00 177.10 177.25 1xr0 n VAL 112 N 4.27 0.40 -1.51 1.60 0.24 -1.26 -5.05 118.33 117.01 1xr0 n VAL 112 Ca -0.03 -3.27 -0.39 0.00 -2.04 0.00 0.00 64.34 58.61 1xr0 n VAL 112 Cb 0.50 0.46 -0.13 0.00 -1.47 0.00 0.00 33.84 33.21 1xr0 n VAL 112 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1xr0 n VAL 113 N 0.03 -0.02 -3.20 3.34 0.24 -1.26 -4.87 118.33 112.59 1xr0 n VAL 113 Ca 0.13 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 61.86 1xr0 n VAL 113 Cb 0.76 -0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 1xr0 n VAL 113 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xr0 s GLU 114 N 8.81 4.36 -0.06 7.34 2.02 -1.26 -5.00 118.70 134.91 1xr0 s GLU 114 Ca 1.28 0.61 -0.03 0.00 0.02 0.00 0.00 54.97 56.84 1xr0 s GLU 114 Cb -1.02 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 29.74 1xr0 s GLU 114 CO 0.44 0.08 -0.07 0.93 0.02 0.00 0.00 175.26 176.67 1xr0 h GLU 115 N 6.83 0.00 -6.25 1.61 5.08 -2.03 -3.45 114.58 116.37 1xr0 h GLU 115 Ca -0.40 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.40 1xr0 h GLU 115 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xr0 h GLU 115 CO 0.76 0.00 1.19 -1.25 -1.00 0.00 0.00 179.01 178.71 1xr0 s PRO 116 N -1.50 3.83 -0.14 2.33 0.04 -1.26 -4.80 135.00 133.50 1xr0 s PRO 116 Ca -0.05 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.14 1xr0 s PRO 116 Cb 0.01 -4.09 0.38 0.00 0.04 0.00 0.00 34.50 30.83 1xr0 s PRO 116 CO 0.08 -1.27 1.18 0.28 0.04 0.00 0.00 177.00 177.31 1xr0 n VAL 117 N 6.28 0.41 -3.10 -0.36 0.31 -1.26 -5.07 118.33 115.55 1xr0 n VAL 117 Ca 0.20 -1.45 -0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1xr0 n VAL 117 Cb 0.44 1.02 -0.00 0.00 -0.91 0.00 0.00 33.84 34.38 1xr0 n VAL 117 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xr0 n VAL 118 N -0.28 -2.01 -2.79 2.52 0.24 -1.26 -4.99 118.33 109.75 1xr0 n VAL 118 Ca -0.03 0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 62.41 1xr0 n VAL 118 Cb 0.92 -2.92 0.08 0.00 -1.47 0.00 0.00 33.84 30.45 1xr0 n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xr0 n GLU 119 N 2.02 0.34 -3.74 7.34 4.71 -1.26 -5.13 120.64 124.91 1xr0 n GLU 119 Ca -0.01 -2.45 -0.14 0.00 -0.01 0.00 0.00 57.16 54.55 1xr0 n GLU 119 Cb 0.21 -0.38 -0.15 0.00 -1.01 0.00 0.00 31.44 30.11 1xr0 n GLU 119 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1xr0 s ARG 120 N -4.44 0.09 0.14 3.49 0.52 -1.26 -5.00 118.95 112.49 1xr0 s ARG 120 Ca 0.53 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 1xr0 s ARG 120 Cb -0.04 -0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.25 1xr0 s ARG 120 CO 0.35 -0.18 0.00 0.09 0.02 0.00 0.00 175.30 175.58 1xr0 n ASN 121 N 4.28 0.00 0.00 0.23 4.13 -1.26 -4.33 115.26 118.31 1xr0 n ASN 121 Ca -0.25 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.01 1xr0 n ASN 121 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1xr0 n ASN 121 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1xr0 n ASN 122 N 1.47 0.00 -0.09 6.41 5.15 -1.26 -5.07 115.26 121.87 1xr0 n ASN 122 Ca 0.00 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.79 1xr0 n ASN 122 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1xr0 n ASN 122 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 1xr0 h HIS 123 N 0.00 0.00 -4.48 1.20 -0.00 -2.01 -3.47 115.15 106.39 1xr0 h HIS 123 Ca 0.00 -0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.88 1xr0 h HIS 123 Cb 0.00 -0.00 0.09 0.00 -0.00 0.00 0.00 27.41 27.50 1xr0 h HIS 123 CO 0.00 1.31 0.40 -0.65 -0.00 0.00 0.00 177.93 179.00 1xr0 s GLN 124 N -2.31 2.58 -0.01 5.26 -0.21 -1.26 -5.09 119.66 118.62 1xr0 s GLN 124 Ca -0.25 0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.58 1xr0 s GLN 124 Cb 0.03 -1.99 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 1xr0 s GLN 124 CO 0.63 -1.22 -0.15 0.95 -2.12 0.00 0.00 175.29 173.37 1xr0 s THR 125 N -3.38 1.21 0.27 -0.19 -4.23 -1.26 -5.15 115.64 102.91 1xr0 s THR 125 Ca 0.59 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1xr0 s THR 125 Cb -0.11 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1xr0 s THR 125 CO 0.51 0.33 0.15 -1.61 -0.54 0.00 0.00 174.62 173.47 1xr0 s GLU 126 N -0.38 2.71 -0.27 3.99 8.01 -1.26 -5.07 118.70 126.42 1xr0 s GLU 126 Ca 0.06 -1.20 -0.29 0.00 0.01 0.00 0.00 54.97 53.55 1xr0 s GLU 126 Cb -0.06 -2.43 -0.01 0.00 -4.31 0.00 0.00 34.13 27.33 1xr0 s GLU 126 CO -0.01 0.35 1.39 -1.17 0.01 0.00 0.00 175.26 175.84 1xr0 s LEU 127 N -3.81 3.89 0.00 1.80 1.98 -1.26 -4.51 118.68 116.78 1xr0 s LEU 127 Ca 0.33 1.35 0.00 0.00 -2.89 0.00 0.00 54.13 52.92 1xr0 s LEU 127 Cb -0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.24 1xr0 s LEU 127 CO 0.24 -1.12 0.00 1.21 -1.89 0.00 0.00 176.35 174.78 1xr0 n GLU 128 N 7.40 0.00 -2.70 1.98 4.07 -1.26 -5.14 120.64 124.98 1xr0 n GLU 128 Ca 0.16 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.95 1xr0 n GLU 128 Cb 0.46 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.81 1xr0 n GLU 128 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1xr0 s VAL 129 N -1.93 4.72 0.57 6.31 -7.23 -1.26 -4.26 120.40 117.32 1xr0 s VAL 129 Ca 0.00 0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 60.78 1xr0 s VAL 129 Cb 0.00 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1xr0 s VAL 129 CO 0.00 -0.59 1.06 -2.16 -0.31 0.00 0.00 175.10 173.11 1xr0 s PRO 130 N -3.95 3.39 0.61 4.82 0.04 -1.26 -5.17 135.00 133.48 1xr0 s PRO 130 Ca 0.53 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1xr0 s PRO 130 Cb -0.10 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1xr0 s PRO 130 CO 0.32 -0.76 0.84 2.89 0.04 0.00 0.00 177.00 180.33 1xr0 n ARG 131 N -1.78 -0.48 -3.62 4.56 1.85 -1.26 -5.12 116.66 110.81 1xr0 n ARG 131 Ca 0.09 -1.65 -0.15 0.00 -1.00 0.00 0.00 57.85 55.14 1xr0 n ARG 131 Cb 0.53 -0.75 -0.07 0.00 -1.05 0.00 0.00 32.46 31.11 1xr0 n ARG 131 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1xr0 s THR 132 N -2.65 0.00 0.14 8.89 -1.32 -1.26 -5.15 115.64 114.29 1xr0 s THR 132 Ca 0.50 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.66 1xr0 s THR 132 Cb -0.02 -0.93 -0.07 0.00 -1.51 0.00 0.00 72.50 69.97 1xr0 s THR 132 CO 0.35 -0.01 1.22 -2.16 -2.21 0.00 0.00 174.62 171.81 1xr0 s PRO 133 N -0.06 4.45 0.03 7.08 0.04 -1.26 -4.95 135.00 140.34 1xr0 s PRO 133 Ca -0.03 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 62.87 1xr0 s PRO 133 Cb -0.04 -3.28 -0.26 0.00 0.04 0.00 0.00 34.50 30.96 1xr0 s PRO 133 CO 0.03 -0.19 0.97 0.00 0.04 0.00 0.00 177.00 177.86 1xr0 h ARG 134 N 5.95 0.19 -4.60 4.56 3.08 -2.08 -3.49 114.38 118.00 1xr0 h ARG 134 Ca -0.43 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.29 1xr0 h ARG 134 Cb 1.21 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1xr0 h ARG 134 CO 0.78 1.06 -0.32 2.41 -1.07 0.00 0.00 179.97 182.83 1xr0 n THR 135 N -3.42 -8.31 1.52 2.04 -1.04 -1.26 -5.39 114.28 98.43 1xr0 n THR 135 Ca -0.12 0.57 0.12 0.00 -2.04 0.00 0.00 64.05 62.58 1xr0 n THR 135 Cb 1.02 -6.29 0.72 0.00 -1.82 0.00 0.00 70.33 63.97 1xr0 n THR 135 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62