#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oux s THR 2 N 0.00 2.64 0.03 0.00 2.01 -1.26 -5.03 115.64 114.03 1oux s THR 2 Ca 0.00 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.59 1oux s THR 2 Cb 0.00 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 1oux s THR 2 CO 0.00 0.08 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.84 1oux s GLN 3 N -2.26 0.47 0.00 4.92 -1.52 -1.26 -4.85 119.66 115.17 1oux s GLN 3 Ca 0.57 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 1oux s GLN 3 Cb -0.38 -0.26 0.00 0.00 -0.22 0.00 0.00 33.01 32.15 1oux s GLN 3 CO 0.48 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.98 1oux n GLY 4 N 1.78 0.77 3.49 3.09 0.00 -1.26 -4.89 105.19 108.17 1oux n GLY 4 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1oux n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oux s VAL 5 N -2.25 3.78 -0.01 1.61 1.01 -1.26 -0.07 120.40 123.21 1oux s VAL 5 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1oux s VAL 5 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1oux s VAL 5 CO 0.00 0.51 -0.04 -0.36 0.00 0.00 0.00 175.10 175.20 1oux s PHE 6 N 0.26 0.42 -0.42 5.22 0.08 0.13 -5.00 117.98 118.68 1oux s PHE 6 Ca -0.04 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 1oux s PHE 6 Cb -0.14 -0.30 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 1oux s PHE 6 CO 0.03 -0.03 0.30 0.99 -0.10 0.00 0.00 175.22 176.41 1oux s THR 7 N 0.04 5.05 0.30 0.64 2.01 -1.26 -0.50 115.64 121.93 1oux s THR 7 Ca -0.00 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1oux s THR 7 Cb -0.04 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1oux s THR 7 CO -0.00 -0.36 0.47 -0.76 -0.69 0.00 0.00 174.62 173.27 1oux s LEU 8 N 1.63 4.14 0.51 4.42 1.02 0.16 -5.00 118.68 125.57 1oux s LEU 8 Ca 0.04 0.26 -0.23 0.00 0.02 0.00 0.00 54.13 54.22 1oux s LEU 8 Cb -0.20 -3.09 -0.06 0.00 0.02 0.00 0.00 46.19 42.86 1oux s LEU 8 CO 0.08 -0.21 1.36 -2.16 0.02 0.00 0.00 176.35 175.44 1oux s PRO 9 N -4.17 3.33 0.58 1.29 0.04 -1.26 -4.45 135.00 130.36 1oux s PRO 9 Ca 0.38 2.26 -0.20 0.00 0.04 0.00 0.00 61.00 63.47 1oux s PRO 9 Cb -0.09 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1oux s PRO 9 CO 0.33 -1.05 1.20 0.00 0.04 0.00 0.00 177.00 177.52 1oux n ALA 10 N -0.76 0.95 -4.20 8.56 0.00 -1.26 -3.49 120.51 120.30 1oux n ALA 10 Ca 0.09 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1oux n ALA 10 Cb 0.44 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 1oux n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1oux n ASN 11 N -1.07 0.31 -4.22 0.00 3.02 0.24 -4.91 115.26 108.63 1oux n ASN 11 Ca 0.13 -1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 1oux n ASN 11 Cb 0.46 -2.11 -0.16 0.00 -0.61 0.00 0.00 39.78 37.35 1oux n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1oux s THR 12 N -4.17 1.76 0.29 3.41 2.01 -1.23 -4.87 115.64 112.84 1oux s THR 12 Ca 0.06 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.87 1oux s THR 12 Cb -0.03 -1.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1oux s THR 12 CO 0.96 0.50 0.92 -0.13 -0.69 0.00 0.00 174.62 176.18 1oux s ARG 13 N -0.20 4.65 0.10 4.92 0.52 -1.26 -0.79 118.95 126.89 1oux s ARG 13 Ca -0.00 1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 56.53 1oux s ARG 13 Cb -0.12 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1oux s ARG 13 CO 0.02 0.37 0.06 -0.59 0.02 0.00 0.00 175.30 175.18 1oux s PHE 14 N -1.46 0.64 -0.06 -0.53 -0.71 -0.01 -4.23 117.98 111.61 1oux s PHE 14 Ca 0.46 -1.08 -0.01 0.00 -1.04 0.00 0.00 56.93 55.27 1oux s PHE 14 Cb -0.21 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1oux s PHE 14 CO 0.26 -0.49 -0.00 0.20 -1.34 0.00 0.00 175.22 173.85 1oux s GLY 15 N -2.98 1.85 -0.06 1.99 0.00 -0.13 -1.19 107.32 106.80 1oux s GLY 15 Ca 0.16 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1oux s GLY 15 CO -0.04 -0.64 -0.13 0.54 0.00 0.00 0.00 173.10 172.83 1oux s VAL 16 N -0.93 1.21 -0.00 1.40 0.11 -0.49 -1.13 120.40 120.56 1oux s VAL 16 Ca 0.15 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1oux s VAL 16 Cb -0.11 -1.09 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1oux s VAL 16 CO 0.04 0.37 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.26 1oux s THR 17 N 0.59 0.23 0.02 5.04 2.01 -0.16 -1.44 115.64 121.92 1oux s THR 17 Ca -0.14 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 61.82 1oux s THR 17 Cb -0.15 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1oux s THR 17 CO 0.04 0.07 -0.23 0.00 -0.69 0.00 0.00 174.62 173.80 1oux s ALA 18 N -0.02 2.34 0.06 7.40 0.00 -0.44 -0.66 121.76 130.43 1oux s ALA 18 Ca 0.01 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1oux s ALA 18 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1oux s ALA 18 CO -0.00 0.54 -0.23 -0.06 0.00 0.00 0.00 175.76 176.01 1oux s PHE 19 N -0.77 2.04 -0.03 0.00 0.08 0.17 -1.42 117.98 118.05 1oux s PHE 19 Ca 0.12 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.84 1oux s PHE 19 Cb -0.10 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1oux s PHE 19 CO 0.02 0.13 -0.24 0.00 -0.10 0.00 0.00 175.22 175.03 1oux s ALA 20 N -0.85 1.99 -0.42 5.36 0.00 -0.86 -0.66 121.76 126.32 1oux s ALA 20 Ca 0.09 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1oux s ALA 20 Cb -0.09 -0.55 0.25 0.00 0.00 0.00 0.00 23.12 22.72 1oux s ALA 20 CO 0.02 0.44 0.64 0.09 0.00 0.00 0.00 175.76 176.96 1oux n ASN 21 N 2.69 -0.80 -3.47 0.00 3.02 -0.77 -1.78 115.26 114.15 1oux n ASN 21 Ca -0.16 -2.90 -0.12 0.00 -0.03 0.00 0.00 54.58 51.37 1oux n ASN 21 Cb 0.52 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 1oux n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1oux s SER 22 N -1.37 -0.52 0.38 6.41 0.15 0.10 -3.79 113.70 115.07 1oux s SER 22 Ca 0.34 0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1oux s SER 22 Cb 0.19 0.52 0.59 0.00 -1.71 0.00 0.00 66.02 65.62 1oux s SER 22 CO -0.15 -0.79 1.70 0.77 1.20 0.00 0.00 173.24 175.97 1oux h SER 23 N 2.20 0.00 -3.05 5.45 4.64 -1.96 -3.31 113.55 117.52 1oux h SER 23 Ca -0.29 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.43 1oux h SER 23 Cb 1.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 1oux h SER 23 CO 0.36 0.00 -0.30 -0.83 -0.87 0.00 0.00 176.83 175.19 1oux s GLY 24 N -4.01 2.30 0.03 -0.77 0.00 -1.26 -4.94 107.32 98.67 1oux s GLY 24 Ca 0.07 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 1oux s GLY 24 CO 0.63 -0.27 1.65 -1.59 0.00 0.00 0.00 173.10 173.52 1oux s THR 25 N -1.39 3.23 0.12 0.90 2.01 -1.26 -4.74 115.64 114.52 1oux s THR 25 Ca 0.32 0.56 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 1oux s THR 25 Cb -0.13 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1oux s THR 25 CO 0.18 -0.02 0.50 -1.10 -0.69 0.00 0.00 174.62 173.49 1oux s GLN 26 N 3.11 3.89 -0.17 4.92 -1.52 0.56 -4.28 119.66 126.17 1oux s GLN 26 Ca 0.74 0.37 -0.02 0.00 -1.95 0.00 0.00 55.36 54.50 1oux s GLN 26 Cb -0.38 -2.95 0.05 0.00 -0.22 0.00 0.00 33.01 29.52 1oux s GLN 26 CO 0.32 0.50 -0.00 0.99 -0.25 0.00 0.00 175.29 176.85 1oux s THR 27 N -1.45 0.74 -0.20 -0.19 2.01 -0.69 -1.86 115.64 113.99 1oux s THR 27 Ca 0.36 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1oux s THR 27 Cb -0.14 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1oux s THR 27 CO 0.19 -0.03 0.01 -0.69 -0.69 0.00 0.00 174.62 173.41 1oux s VAL 28 N 1.78 4.03 -0.10 3.82 1.01 0.94 -1.39 120.40 130.49 1oux s VAL 28 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1oux s VAL 28 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1oux s VAL 28 CO -0.07 0.42 -0.11 0.20 0.00 0.00 0.00 175.10 175.54 1oux s ASN 29 N 1.00 4.21 -0.29 3.32 -0.87 0.65 -0.89 114.94 122.07 1oux s ASN 29 Ca 0.02 -0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 1oux s ASN 29 Cb -0.14 -1.34 0.06 0.00 -0.02 0.00 0.00 41.25 39.81 1oux s ASN 29 CO 0.02 0.25 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.07 1oux s VAL 30 N -0.15 2.64 -0.11 1.60 1.01 0.25 -0.77 120.40 124.87 1oux s VAL 30 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1oux s VAL 30 Cb -0.13 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1oux s VAL 30 CO 0.03 -0.10 0.26 -0.76 0.00 0.00 0.00 175.10 174.52 1oux s LEU 31 N 1.18 4.36 -0.19 3.92 1.02 0.54 0.02 118.68 129.52 1oux s LEU 31 Ca -0.06 0.59 0.01 0.00 0.02 0.00 0.00 54.13 54.70 1oux s LEU 31 Cb -0.20 -2.30 0.03 0.00 0.02 0.00 0.00 46.19 43.74 1oux s LEU 31 CO -0.03 0.28 -0.17 -0.69 0.02 0.00 0.00 176.35 175.75 1oux s VAL 32 N -0.49 2.04 -1.39 -1.59 1.01 0.51 -0.64 120.40 119.85 1oux s VAL 32 Ca 0.17 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 1oux s VAL 32 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1oux s VAL 32 CO 0.06 0.41 1.07 -3.20 0.00 0.00 0.00 175.10 173.44 1oux n ASN 33 N 4.59 -5.08 -0.24 3.32 5.15 -0.31 -2.23 115.26 120.47 1oux n ASN 33 Ca -0.19 -0.64 -0.03 0.00 -0.60 0.00 0.00 54.58 53.12 1oux n ASN 33 Cb 0.48 -4.63 -0.01 0.00 -0.53 0.00 0.00 39.78 35.09 1oux n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1oux n ASN 34 N -2.98 -4.27 -4.07 1.20 3.02 -1.26 -5.01 115.26 101.89 1oux n ASN 34 Ca -0.04 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.33 1oux n ASN 34 Cb 0.57 -2.05 -0.17 0.00 -0.61 0.00 0.00 39.78 37.52 1oux n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1oux s GLU 35 N -1.53 1.99 0.13 3.52 2.02 -0.95 -5.05 118.70 118.84 1oux s GLU 35 Ca 0.00 -0.52 -0.33 0.00 0.02 0.00 0.00 54.97 54.14 1oux s GLU 35 Cb 0.00 -1.60 -0.12 0.00 0.10 0.00 0.00 34.13 32.50 1oux s GLU 35 CO 0.00 0.07 1.71 2.41 0.02 0.00 0.00 175.26 179.47 1oux n THR 36 N 3.72 0.16 0.05 3.63 -1.04 -1.26 -0.36 114.28 119.18 1oux n THR 36 Ca -0.22 -0.03 0.03 0.00 -2.04 0.00 0.00 64.05 61.79 1oux n THR 36 Cb 0.52 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.18 1oux n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oux n ALA 37 N 4.45 2.33 -3.41 2.41 0.00 0.10 -4.85 120.51 121.55 1oux n ALA 37 Ca 0.18 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1oux n ALA 37 Cb 0.32 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1oux n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oux s ALA 38 N -2.24 -1.35 -0.08 0.00 0.00 -1.03 -5.02 121.76 112.05 1oux s ALA 38 Ca -0.01 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1oux s ALA 38 Cb 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1oux s ALA 38 CO 0.24 -0.31 0.16 0.99 0.00 0.00 0.00 175.76 176.84 1oux s THR 39 N -1.04 -0.13 0.18 0.00 2.01 -1.26 -0.58 115.64 114.82 1oux s THR 39 Ca -0.10 0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.23 1oux s THR 39 Cb -0.02 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1oux s THR 39 CO 0.07 0.10 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.51 1oux s PHE 40 N 1.56 2.11 0.01 4.92 0.08 -0.07 -4.98 117.98 121.62 1oux s PHE 40 Ca -0.05 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.35 1oux s PHE 40 Cb -0.12 -1.06 0.06 0.00 -0.57 0.00 0.00 43.02 41.34 1oux s PHE 40 CO -0.06 0.42 0.58 0.45 -0.10 0.00 0.00 175.22 176.51 1oux s SER 41 N -2.60 -0.52 0.00 1.36 0.15 -1.26 -0.04 113.70 110.78 1oux s SER 41 Ca 0.18 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1oux s SER 41 Cb -0.07 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1oux s SER 41 CO 0.08 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1oux n GLY 42 N 0.60 0.23 2.64 9.45 0.00 -0.77 -4.88 105.19 112.46 1oux n GLY 42 Ca -0.19 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1oux n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oux s GLN 43 N -2.00 0.22 -0.04 1.61 -0.44 -1.26 -0.33 119.66 117.43 1oux s GLN 43 Ca 0.00 -0.19 -0.16 0.00 -2.50 0.00 0.00 55.36 52.51 1oux s GLN 43 Cb 0.00 -1.88 0.03 0.00 -1.64 0.00 0.00 33.01 29.52 1oux s GLN 43 CO 0.00 -0.68 0.36 0.45 0.50 0.00 0.00 175.29 175.93 1oux s SER 44 N 2.06 -0.27 -0.11 6.67 0.15 -1.25 -5.01 113.70 115.94 1oux s SER 44 Ca 0.02 0.25 0.15 0.00 0.70 0.00 0.00 55.95 57.07 1oux s SER 44 Cb -0.16 0.40 0.28 0.00 -1.71 0.00 0.00 66.02 64.83 1oux s SER 44 CO -0.10 -0.42 1.17 0.35 1.20 0.00 0.00 173.24 175.44 1oux n THR 45 N 1.46 1.76 -2.30 6.45 -2.24 -1.26 0.03 114.28 118.18 1oux n THR 45 Ca -0.20 -1.94 -0.08 0.00 -2.27 0.00 0.00 64.05 59.56 1oux n THR 45 Cb 0.56 -0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1oux n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oux n ASN 46 N -1.06 2.78 -2.69 3.42 4.05 -1.26 -4.81 115.26 115.70 1oux n ASN 46 Ca 0.14 -2.95 -0.19 0.00 0.45 0.00 0.00 54.58 52.03 1oux n ASN 46 Cb 0.60 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.21 1oux n ASN 46 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1oux n ASN 47 N -0.57 -5.25 -4.73 1.20 5.15 -0.73 -4.93 115.26 105.39 1oux n ASN 47 Ca 0.23 -0.08 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 1oux n ASN 47 Cb 0.89 -4.35 -0.02 0.00 -0.53 0.00 0.00 39.78 35.78 1oux n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oux n ALA 48 N -2.66 2.70 -2.50 5.20 0.00 -1.20 -4.56 120.51 117.49 1oux n ALA 48 Ca -0.16 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 1oux n ALA 48 Cb 0.64 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 1oux n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oux s VAL 49 N 0.50 3.92 -1.14 0.00 1.01 -1.26 -2.03 120.40 121.41 1oux s VAL 49 Ca 0.69 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1oux s VAL 49 Cb -0.50 -4.99 0.06 0.00 0.00 0.00 0.00 36.38 30.96 1oux s VAL 49 CO 0.41 -1.83 1.13 2.30 0.00 0.00 0.00 175.10 177.11 1oux n ILE 50 N 6.87 1.39 0.00 2.22 -5.35 -0.51 -4.83 119.36 119.16 1oux n ILE 50 Ca 0.39 0.35 0.00 0.00 -0.27 0.00 0.00 62.75 63.22 1oux n ILE 50 Cb 0.49 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 1oux n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oux n GLY 51 N -0.88 1.55 3.47 3.28 0.00 -1.23 -4.37 105.19 107.02 1oux n GLY 51 Ca 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1oux n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oux s THR 52 N -2.00 0.01 -0.09 2.61 -1.32 -1.26 -1.33 115.64 112.26 1oux s THR 52 Ca 0.00 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1oux s THR 52 Cb 0.00 -0.91 0.11 0.00 -1.51 0.00 0.00 72.50 70.19 1oux s THR 52 CO 0.00 -0.05 0.89 -1.58 -2.21 0.00 0.00 174.62 171.67 1oux s GLN 53 N -0.94 0.76 -0.23 7.08 0.74 -0.52 -5.00 119.66 121.55 1oux s GLN 53 Ca -0.10 0.05 -0.11 0.00 0.05 0.00 0.00 55.36 55.26 1oux s GLN 53 Cb -0.02 0.36 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 1oux s GLN 53 CO 0.07 -0.27 0.16 0.08 -0.55 0.00 0.00 175.29 174.79 1oux s VAL 54 N -1.66 5.36 0.41 1.34 1.01 -1.26 -1.40 120.40 124.20 1oux s VAL 54 Ca -0.02 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1oux s VAL 54 Cb -0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1oux s VAL 54 CO 0.01 0.35 0.03 -0.76 0.00 0.00 0.00 175.10 174.73 1oux s LEU 55 N 0.99 2.47 -0.09 3.92 1.43 -0.33 -4.96 118.68 122.11 1oux s LEU 55 Ca 0.08 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1oux s LEU 55 Cb -0.13 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 1oux s LEU 55 CO 0.04 -0.63 -0.23 0.21 0.23 0.00 0.00 176.35 175.97 1oux s ASN 56 N -3.68 3.21 0.00 2.29 3.84 -1.26 -0.83 114.94 118.50 1oux s ASN 56 Ca 0.28 -0.51 0.11 0.00 0.21 0.00 0.00 52.86 52.95 1oux s ASN 56 Cb 0.07 -1.22 0.49 0.00 -0.55 0.00 0.00 41.25 40.04 1oux s ASN 56 CO 0.14 0.20 1.33 -1.54 -2.79 0.00 0.00 177.10 174.43 1oux n SER 57 N 3.29 0.00 -0.85 -4.21 3.41 0.03 -4.91 113.62 110.38 1oux n SER 57 Ca -0.18 0.41 0.01 0.00 -0.26 0.00 0.00 58.87 58.85 1oux n SER 57 Cb 0.53 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1oux n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oux n GLY 58 N -0.36 -1.17 0.25 5.00 0.00 -1.26 -1.29 105.19 106.36 1oux n GLY 58 Ca 0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1oux n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1oux h SER 59 N -0.06 0.52 0.58 1.61 4.64 -1.94 0.69 113.55 119.59 1oux h SER 59 Ca 0.00 -0.15 -0.23 0.00 -0.47 0.00 0.00 61.79 60.94 1oux h SER 59 Cb 0.05 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1oux h SER 59 CO 0.00 0.70 -1.03 0.77 -0.87 0.00 0.00 176.83 176.40 1oux h SER 60 N 0.48 0.36 0.00 4.97 4.64 -1.97 -3.44 113.55 118.60 1oux h SER 60 Ca 0.08 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1oux h SER 60 Cb 0.55 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1oux h SER 60 CO 0.04 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 1oux n GLY 61 N 1.16 0.72 3.69 -0.77 0.00 -0.41 -4.83 105.19 104.75 1oux n GLY 61 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1oux n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oux s LYS 62 N -0.27 4.42 -0.05 1.61 2.20 -1.26 0.41 119.74 126.80 1oux s LYS 62 Ca 0.00 1.37 0.03 0.00 -0.36 0.00 0.00 55.97 57.02 1oux s LYS 62 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1oux s LYS 62 CO 0.00 -0.30 -0.15 0.08 -0.36 0.00 0.00 175.35 174.62 1oux s VAL 63 N 1.96 1.27 -0.03 4.02 1.01 0.34 -1.16 120.40 127.81 1oux s VAL 63 Ca 0.48 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1oux s VAL 63 Cb -0.18 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1oux s VAL 63 CO 0.18 0.38 -0.08 -1.58 0.00 0.00 0.00 175.10 174.00 1oux s GLN 64 N 0.25 0.98 -0.18 2.72 0.74 0.18 0.18 119.66 124.54 1oux s GLN 64 Ca -0.07 -0.25 -0.06 0.00 0.05 0.00 0.00 55.36 55.03 1oux s GLN 64 Cb -0.13 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 1oux s GLN 64 CO 0.03 0.05 0.01 0.08 -0.55 0.00 0.00 175.29 174.91 1oux s VAL 65 N 0.44 4.23 -0.05 1.34 1.01 0.91 -0.34 120.40 127.94 1oux s VAL 65 Ca -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1oux s VAL 65 Cb -0.11 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1oux s VAL 65 CO 0.01 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.26 1oux s GLN 66 N 0.63 2.14 -0.09 2.72 -0.21 0.05 -4.71 119.66 120.18 1oux s GLN 66 Ca 0.00 -0.73 0.03 0.00 0.02 0.00 0.00 55.36 54.68 1oux s GLN 66 Cb -0.14 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 32.06 1oux s GLN 66 CO 0.02 0.28 -0.18 0.08 -2.12 0.00 0.00 175.29 173.37 1oux s VAL 67 N 0.01 1.63 0.04 1.09 1.01 -1.26 -0.25 120.40 122.67 1oux s VAL 67 Ca -0.05 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1oux s VAL 67 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1oux s VAL 67 CO 0.03 0.46 -0.09 -0.94 0.00 0.00 0.00 175.10 174.57 1oux s SER 68 N 0.64 1.03 -0.11 3.32 1.04 -0.49 -0.72 113.70 118.42 1oux s SER 68 Ca -0.14 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 1oux s SER 68 Cb -0.16 0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1oux s SER 68 CO 0.04 -0.15 -0.07 -0.69 0.98 0.00 0.00 173.24 173.34 1oux s VAL 69 N -1.26 1.00 -1.47 5.02 1.01 0.13 -1.71 120.40 123.12 1oux s VAL 69 Ca -0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1oux s VAL 69 Cb -0.09 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1oux s VAL 69 CO 0.01 0.36 0.68 -0.46 0.00 0.00 0.00 175.10 175.69 1oux n ASN 70 N 4.92 -2.11 0.00 3.32 6.94 -1.26 -1.23 115.26 125.83 1oux n ASN 70 Ca -0.13 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 1oux n ASN 70 Cb 0.50 -3.43 0.00 0.00 -2.36 0.00 0.00 39.78 34.49 1oux n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1oux n GLY 71 N -1.72 2.89 3.62 4.83 0.00 -1.26 -5.01 105.19 108.54 1oux n GLY 71 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1oux n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oux s ARG 72 N -0.04 3.95 0.31 1.61 3.00 -0.37 -5.05 118.95 122.36 1oux s ARG 72 Ca 0.00 -0.35 -0.29 0.00 -1.00 0.00 0.00 55.73 54.09 1oux s ARG 72 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 34.95 31.62 1oux s ARG 72 CO 0.00 0.23 1.36 -2.14 0.00 0.00 0.00 175.30 174.76 1oux s PRO 73 N 0.48 4.31 0.37 5.12 0.02 -1.26 -0.70 135.00 143.34 1oux s PRO 73 Ca 0.03 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.29 1oux s PRO 73 Cb -0.13 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1oux s PRO 73 CO 0.01 -0.29 0.62 -1.12 -0.33 0.00 0.00 177.00 175.89 1oux s SER 74 N -0.18 6.32 0.13 2.53 0.01 0.10 -4.90 113.70 117.72 1oux s SER 74 Ca 0.52 0.66 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 1oux s SER 74 Cb -0.41 -2.12 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 1oux s SER 74 CO 0.51 -0.35 1.07 -0.62 0.41 0.00 0.00 173.24 174.25 1oux s ASP 75 N -3.84 7.31 0.13 2.44 2.15 -0.93 -4.80 116.67 119.13 1oux s ASP 75 Ca 0.43 1.97 0.06 0.00 0.43 0.00 0.00 52.55 55.44 1oux s ASP 75 Cb -0.10 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 1oux s ASP 75 CO 0.37 -0.21 0.01 -0.76 -0.17 0.00 0.00 175.17 174.41 1oux s LEU 76 N -0.01 3.42 0.01 -1.34 1.43 -1.26 -1.21 118.68 119.71 1oux s LEU 76 Ca 0.50 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1oux s LEU 76 Cb -0.27 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1oux s LEU 76 CO 0.32 0.14 -0.06 0.68 0.23 0.00 0.00 176.35 177.66 1oux s VAL 77 N -1.48 0.47 0.23 -1.59 -7.23 -0.53 -4.86 120.40 105.41 1oux s VAL 77 Ca 0.27 -0.43 -0.22 0.00 -1.81 0.00 0.00 61.98 59.79 1oux s VAL 77 Cb -0.11 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.44 1oux s VAL 77 CO 0.19 0.02 0.83 -0.94 -0.31 0.00 0.00 175.10 174.88 1oux s SER 78 N -0.45 -0.21 -0.20 4.85 1.04 -1.26 -0.10 113.70 117.38 1oux s SER 78 Ca -0.00 -0.56 -0.36 0.00 0.48 0.00 0.00 55.95 55.51 1oux s SER 78 Cb -0.04 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.86 1oux s SER 78 CO -0.00 -1.18 1.26 0.00 0.98 0.00 0.00 173.24 174.30 1oux s ALA 79 N -3.54 -2.13 -0.04 5.32 0.00 -0.85 -4.94 121.76 115.58 1oux s ALA 79 Ca 0.12 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.74 1oux s ALA 79 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1oux s ALA 79 CO 0.05 -0.63 -0.25 -1.14 0.00 0.00 0.00 175.76 173.79 1oux s GLN 80 N -2.32 2.38 -0.00 0.00 0.74 -1.26 -0.68 119.66 118.53 1oux s GLN 80 Ca 0.10 -0.91 0.05 0.00 0.05 0.00 0.00 55.36 54.66 1oux s GLN 80 Cb -0.00 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.97 1oux s GLN 80 CO -0.04 0.45 -0.17 0.14 -0.55 0.00 0.00 175.29 175.12 1oux s VAL 81 N -0.35 1.34 -0.09 1.34 -7.23 -0.49 -5.00 120.40 109.92 1oux s VAL 81 Ca 0.02 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1oux s VAL 81 Cb -0.12 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.69 1oux s VAL 81 CO 0.02 0.32 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.31 1oux s ILE 82 N -0.48 1.71 -0.07 -0.62 1.01 -1.26 -1.58 121.20 119.92 1oux s ILE 82 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1oux s ILE 82 Cb -0.07 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1oux s ILE 82 CO -0.00 0.48 -0.01 -0.76 0.00 0.00 0.00 174.94 174.65 1oux s LEU 83 N 0.56 3.51 -1.75 2.97 1.43 0.86 -4.50 118.68 121.75 1oux s LEU 83 Ca -0.15 0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 1oux s LEU 83 Cb -0.17 -1.83 0.20 0.00 0.03 0.00 0.00 46.19 44.42 1oux s LEU 83 CO 0.05 0.36 0.64 1.07 0.23 0.00 0.00 176.35 178.70 1oux n THR 84 N 2.02 -0.34 -2.27 5.49 5.66 -1.26 -0.01 114.28 123.57 1oux n THR 84 Ca -0.18 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.76 1oux n THR 84 Cb 0.53 -0.89 -0.01 0.00 -1.55 0.00 0.00 70.33 68.42 1oux n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1oux n ASN 85 N -2.48 -2.44 0.00 1.09 5.15 -1.26 -4.61 115.26 110.71 1oux n ASN 85 Ca 0.10 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1oux n ASN 85 Cb 0.47 -2.19 0.00 0.00 -0.53 0.00 0.00 39.78 37.52 1oux n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1oux n GLU 86 N -2.47 0.00 -3.18 1.20 4.07 0.99 -5.07 120.64 116.17 1oux n GLU 86 Ca -0.08 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.62 1oux n GLU 86 Cb 0.51 -0.16 -0.07 0.00 -0.06 0.00 0.00 31.44 31.66 1oux n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1oux s LEU 87 N -4.72 4.08 -0.09 4.31 2.96 -0.17 -4.50 118.68 120.56 1oux s LEU 87 Ca 0.00 0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1oux s LEU 87 Cb 0.00 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 1oux s LEU 87 CO 0.00 -0.30 -0.02 0.20 -1.32 0.00 0.00 176.35 174.91 1oux s ASN 88 N 1.42 5.07 -0.07 3.68 0.01 -0.53 -0.10 114.94 124.43 1oux s ASN 88 Ca 0.24 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 1oux s ASN 88 Cb -0.16 -1.45 0.02 0.00 0.41 0.00 0.00 41.25 40.08 1oux s ASN 88 CO 0.09 0.35 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.61 1oux s PHE 89 N -0.70 1.03 -0.28 2.20 0.40 -0.61 -2.61 117.98 117.40 1oux s PHE 89 Ca 0.11 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1oux s PHE 89 Cb -0.12 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.52 1oux s PHE 89 CO 0.02 -0.31 0.05 0.00 0.70 0.00 0.00 175.22 175.68 1oux s ALA 90 N 1.28 3.01 -0.07 5.36 0.00 0.82 -1.39 121.76 130.77 1oux s ALA 90 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1oux s ALA 90 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1oux s ALA 90 CO -0.02 -0.84 -0.05 -0.51 0.00 0.00 0.00 175.76 174.34 1oux s LEU 91 N 1.49 3.26 -0.02 0.00 1.43 0.15 -0.94 118.68 124.04 1oux s LEU 91 Ca 0.03 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1oux s LEU 91 Cb -0.17 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1oux s LEU 91 CO 0.01 0.36 -0.02 -0.69 0.23 0.00 0.00 176.35 176.25 1oux s VAL 92 N -0.83 0.27 0.16 -1.59 1.01 -0.21 -2.01 120.40 117.20 1oux s VAL 92 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.16 1oux s VAL 92 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1oux s VAL 92 CO 0.02 0.12 -0.24 -0.83 0.00 0.00 0.00 175.10 174.18 1oux s GLY 93 N 0.50 1.57 0.02 4.51 0.00 0.86 -0.97 107.32 113.80 1oux s GLY 93 Ca -0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 1oux s GLY 93 CO -0.01 -1.54 -0.01 -1.35 0.00 0.00 0.00 173.10 170.19 1oux s SER 94 N -2.42 0.21 -0.20 1.64 1.04 -0.80 -1.46 113.70 111.72 1oux s SER 94 Ca 0.17 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 1oux s SER 94 Cb -0.08 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1oux s SER 94 CO 0.08 -0.31 -0.02 -0.70 0.98 0.00 0.00 173.24 173.27 1oux s GLU 95 N -1.44 1.20 0.00 4.02 2.56 -0.35 -2.49 118.70 122.21 1oux s GLU 95 Ca -0.16 -0.66 0.16 0.00 0.00 0.00 0.00 54.97 54.32 1oux s GLU 95 Cb -0.10 -2.26 0.49 0.00 2.00 0.00 0.00 34.13 34.26 1oux s GLU 95 CO -0.01 -0.58 1.39 -0.40 -0.56 0.00 0.00 175.26 175.11 1oux n ASP 96 N 4.86 2.30 0.00 -1.70 5.68 -1.26 -2.18 116.55 124.25 1oux n ASP 96 Ca -0.11 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1oux n ASP 96 Cb 0.46 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1oux n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oux n GLY 97 N 1.22 5.42 0.00 6.12 0.00 -1.26 -5.04 105.19 111.64 1oux n GLY 97 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1oux n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oux n THR 98 N 0.00 0.23 1.83 2.61 -2.24 -1.26 -4.80 114.28 110.65 1oux n THR 98 Ca 0.00 -0.30 0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1oux n THR 98 Cb 0.00 1.12 0.57 0.00 -2.10 0.00 0.00 70.33 69.92 1oux n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1oux n ASP 99 N -0.11 0.39 -3.80 3.42 5.75 -1.26 -4.95 116.55 115.98 1oux n ASP 99 Ca 0.00 -1.42 -0.27 0.00 -0.01 0.00 0.00 54.79 53.09 1oux n ASP 99 Cb 0.32 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.40 1oux n ASP 99 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1oux n ASN 100 N -0.56 -2.55 -0.00 -1.12 4.05 -1.26 -4.89 115.26 108.92 1oux n ASN 100 Ca 0.16 -0.98 0.03 0.00 0.45 0.00 0.00 54.58 54.24 1oux n ASN 100 Cb 0.13 -3.35 -0.04 0.00 1.23 0.00 0.00 39.78 37.76 1oux n ASN 100 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1oux n ASP 101 N -2.86 1.47 -2.95 1.20 5.75 -1.26 -5.01 116.55 112.89 1oux n ASP 101 Ca -0.22 -0.41 -0.14 0.00 -0.01 0.00 0.00 54.79 54.01 1oux n ASP 101 Cb 0.64 1.11 -0.01 0.00 -1.03 0.00 0.00 41.12 41.83 1oux n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1oux n TYR 102 N -1.36 -1.71 0.04 2.11 4.01 -1.26 -4.78 117.16 114.20 1oux n TYR 102 Ca 0.00 0.20 0.01 0.00 -0.16 0.00 0.00 57.90 57.95 1oux n TYR 102 Cb 0.12 -1.96 0.01 0.00 -0.31 0.00 0.00 39.34 37.20 1oux n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1oux n ASN 103 N -1.87 1.37 -0.35 7.72 6.94 -1.10 -2.46 115.26 125.51 1oux n ASN 103 Ca -0.02 -1.30 0.25 0.00 -0.02 0.00 0.00 54.58 53.49 1oux n ASN 103 Cb 0.53 -0.01 0.51 0.00 -2.36 0.00 0.00 39.78 38.45 1oux n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1oux h ASP 104 N 0.27 0.46 -2.69 0.53 3.32 -1.58 -3.15 116.42 113.59 1oux h ASP 104 Ca 0.00 0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1oux h ASP 104 Cb 0.18 0.07 -0.29 0.00 0.22 0.00 0.00 39.33 39.51 1oux h ASP 104 CO 0.00 -0.02 -0.42 0.00 -1.72 0.00 0.00 179.24 177.07 1oux s ALA 105 N -5.53 -0.93 -0.08 3.45 0.00 -1.26 -1.86 121.76 115.55 1oux s ALA 105 Ca -0.09 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1oux s ALA 105 Cb 0.28 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1oux s ALA 105 CO 0.80 -0.68 -0.21 0.08 0.00 0.00 0.00 175.76 175.75 1oux s VAL 106 N 2.46 2.41 -0.06 0.00 1.01 0.16 -1.90 120.40 124.48 1oux s VAL 106 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1oux s VAL 106 Cb -0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1oux s VAL 106 CO -0.11 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 1oux s VAL 107 N -0.02 1.48 -0.10 2.92 1.01 -0.15 0.45 120.40 125.99 1oux s VAL 107 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1oux s VAL 107 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1oux s VAL 107 CO 0.05 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 1oux s VAL 108 N 0.27 1.78 -0.13 2.92 1.01 0.17 -1.04 120.40 125.36 1oux s VAL 108 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1oux s VAL 108 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1oux s VAL 108 CO 0.04 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 1oux s ILE 109 N 0.58 2.66 0.08 2.22 1.01 -0.12 -0.99 121.20 126.64 1oux s ILE 109 Ca -0.14 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1oux s ILE 109 Cb -0.17 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1oux s ILE 109 CO 0.05 0.53 -0.12 0.54 0.00 0.00 0.00 174.94 175.93 1oux s ASN 110 N 0.56 1.57 -0.09 3.58 4.22 -0.29 -0.13 114.94 124.36 1oux s ASN 110 Ca -0.10 -0.68 -0.31 0.00 -2.14 0.00 0.00 52.86 49.63 1oux s ASN 110 Cb -0.16 -0.03 0.12 0.00 1.28 0.00 0.00 41.25 42.46 1oux s ASN 110 CO 0.04 -0.14 1.02 -1.66 -2.04 0.00 0.00 177.10 174.31 1oux s TRP 111 N -1.66 -0.26 0.84 1.54 -2.14 -1.07 -0.96 118.94 115.23 1oux s TRP 111 Ca 0.00 0.18 -0.12 0.00 2.66 0.00 0.00 56.10 58.82 1oux s TRP 111 Cb -0.08 0.52 0.10 0.00 -3.10 0.00 0.00 33.47 30.91 1oux s TRP 111 CO 0.02 -0.40 1.12 -1.25 -2.66 0.00 0.00 176.95 173.77 1oux s PRO 112 N -2.74 1.70 0.41 3.25 0.04 -1.26 -1.45 135.00 134.94 1oux s PRO 112 Ca 0.06 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1oux s PRO 112 Cb -0.01 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1oux s PRO 112 CO -0.07 -1.85 0.37 1.28 0.04 0.00 0.00 177.00 176.77 1oux n LEU 113 N -3.56 0.00 0.00 -3.56 4.77 -1.26 -5.01 117.00 108.38 1oux n LEU 113 Ca 0.07 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1oux n LEU 113 Cb 0.58 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1oux n LEU 113 CO 0.57 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.70