#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 2.62 0.06 0.00 2.01 -1.26 -5.02 115.64 114.05 1oux s THR 2 Ca 0.00 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.61 1oux s THR 2 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1oux s THR 2 CO 0.00 0.11 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.82 1oux s GLN 3 N -1.16 0.74 0.00 4.92 -1.52 -1.26 -4.83 119.66 116.55 1oux s GLN 3 Ca 0.54 -0.91 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 1oux s GLN 3 Cb -0.41 -0.67 0.00 0.00 -0.22 0.00 0.00 33.01 31.70 1oux s GLN 3 CO 0.50 0.14 0.00 0.41 -0.25 0.00 0.00 175.29 176.09 1oux n GLY 4 N 1.31 0.70 3.43 3.09 0.00 -1.26 -4.94 105.19 107.51 1oux n GLY 4 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.38 3.47 -0.02 1.61 1.01 -1.26 -1.15 120.40 121.68 1oux s VAL 5 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1oux s VAL 5 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1oux s VAL 5 CO 0.00 0.50 -0.07 -0.36 0.00 0.00 0.00 175.10 175.17 1oux s PHE 6 N 0.44 0.75 -0.47 5.22 0.08 0.42 -5.02 117.98 119.40 1oux s PHE 6 Ca -0.07 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 1oux s PHE 6 Cb -0.15 -0.54 0.07 0.00 -0.57 0.00 0.00 43.02 41.83 1oux s PHE 6 CO 0.04 -0.07 0.39 0.99 -0.10 0.00 0.00 175.22 176.46 1oux s THR 7 N 0.14 5.17 0.24 0.64 2.01 -1.26 -1.18 115.64 121.40 1oux s THR 7 Ca -0.02 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.94 1oux s THR 7 Cb -0.07 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1oux s THR 7 CO 0.00 -0.57 0.38 -0.76 -0.69 0.00 0.00 174.62 172.98 1oux s LEU 8 N 1.63 4.27 0.57 4.42 1.02 0.40 -5.02 118.68 125.97 1oux s LEU 8 Ca 0.04 0.16 -0.21 0.00 0.02 0.00 0.00 54.13 54.14 1oux s LEU 8 Cb -0.24 -2.95 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 1oux s LEU 8 CO 0.06 -0.08 1.35 -0.81 0.02 0.00 0.00 176.35 176.89 1oux n PRO 9 N -1.26 1.57 -0.75 1.29 -0.04 -1.26 -4.51 135.00 130.03 1oux n PRO 9 Ca -0.08 0.58 -0.31 0.00 -0.04 0.00 0.00 63.50 63.65 1oux n PRO 9 Cb 0.56 -2.57 0.16 0.00 -0.04 0.00 0.00 33.50 31.61 1oux n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oux s ALA 10 N -1.31 1.54 -1.48 0.55 0.00 -1.26 -3.75 121.76 116.04 1oux s ALA 10 Ca 0.74 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 1oux s ALA 10 Cb -0.41 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.31 1oux s ALA 10 CO 0.47 -2.69 0.12 0.09 0.00 0.00 0.00 175.76 173.76 1oux n ASN 11 N -4.12 0.31 -4.25 0.00 3.02 0.30 -4.88 115.26 105.64 1oux n ASN 11 Ca 0.12 -1.16 -0.32 0.00 -0.03 0.00 0.00 54.58 53.19 1oux n ASN 11 Cb 0.52 -1.45 -0.17 0.00 -0.61 0.00 0.00 39.78 38.07 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 -4.00 2.09 0.20 3.41 2.01 -1.25 -4.84 115.64 113.27 1oux s THR 12 Ca 0.17 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1oux s THR 12 Cb -0.10 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.56 1oux s THR 12 CO 0.92 0.57 1.19 -0.13 -0.69 0.00 0.00 174.62 176.48 1oux s ARG 13 N 0.04 4.50 0.05 4.92 0.52 -1.26 0.23 118.95 127.96 1oux s ARG 13 Ca -0.10 1.88 -0.04 0.00 -0.52 0.00 0.00 55.73 56.95 1oux s ARG 13 Cb -0.15 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1oux s ARG 13 CO 0.06 -0.06 0.07 -0.59 0.02 0.00 0.00 175.30 174.79 1oux s PHE 14 N -0.20 0.31 0.02 -0.53 -0.71 0.69 -4.21 117.98 113.35 1oux s PHE 14 Ca 0.52 -0.73 -0.01 0.00 -1.04 0.00 0.00 56.93 55.67 1oux s PHE 14 Cb -0.33 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1oux s PHE 14 CO 0.38 -0.41 0.18 0.20 -1.34 0.00 0.00 175.22 174.23 1oux s GLY 15 N -2.57 2.16 -0.04 1.99 0.00 -0.27 -0.92 107.32 107.66 1oux s GLY 15 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1oux s GLY 15 CO -0.08 -0.74 -0.02 0.54 0.00 0.00 0.00 173.10 172.79 1oux s VAL 16 N -1.39 0.41 -0.02 1.40 0.11 -0.23 -1.65 120.40 119.03 1oux s VAL 16 Ca 0.30 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.33 1oux s VAL 16 Cb -0.13 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1oux s VAL 16 CO 0.22 0.21 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.28 1oux s THR 17 N 1.13 0.34 -0.01 5.04 2.01 -0.12 -1.36 115.64 122.66 1oux s THR 17 Ca -0.08 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1oux s THR 17 Cb -0.14 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1oux s THR 17 CO -0.01 0.15 -0.25 0.00 -0.69 0.00 0.00 174.62 173.82 1oux s ALA 18 N 0.57 2.24 0.09 7.40 0.00 -0.08 -0.29 121.76 131.69 1oux s ALA 18 Ca -0.06 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.87 1oux s ALA 18 Cb -0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1oux s ALA 18 CO -0.01 0.53 -0.24 -0.06 0.00 0.00 0.00 175.76 175.99 1oux s PHE 19 N -0.65 2.10 -0.05 0.00 0.08 0.19 -1.71 117.98 117.94 1oux s PHE 19 Ca 0.10 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1oux s PHE 19 Cb -0.10 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1oux s PHE 19 CO -0.00 0.23 -0.18 0.00 -0.10 0.00 0.00 175.22 175.16 1oux s ALA 20 N -1.00 2.49 -0.43 5.36 0.00 -0.84 -0.85 121.76 126.50 1oux s ALA 20 Ca 0.11 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1oux s ALA 20 Cb -0.10 -0.85 0.29 0.00 0.00 0.00 0.00 23.12 22.47 1oux s ALA 20 CO 0.04 0.53 0.82 0.09 0.00 0.00 0.00 175.76 177.24 1oux n ASN 21 N 2.44 -1.11 -3.46 0.00 3.02 -0.54 -1.55 115.26 114.06 1oux n ASN 21 Ca -0.17 -3.20 -0.12 0.00 -0.03 0.00 0.00 54.58 51.07 1oux n ASN 21 Cb 0.52 0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 40.34 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 -1.64 -0.53 0.34 6.41 0.15 0.72 -3.74 113.70 115.40 1oux s SER 22 Ca 0.32 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.09 1oux s SER 22 Cb 0.26 0.60 0.45 0.00 -1.71 0.00 0.00 66.02 65.63 1oux s SER 22 CO -0.12 -0.99 1.62 0.77 1.20 0.00 0.00 173.24 175.73 1oux h SER 23 N 2.02 0.00 -3.23 5.45 4.64 -1.95 -3.31 113.55 117.16 1oux h SER 23 Ca -0.33 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.47 1oux h SER 23 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1oux h SER 23 CO 0.38 0.42 -0.13 -0.83 -0.87 0.00 0.00 176.83 175.80 1oux s GLY 24 N -4.40 1.89 -0.04 -0.77 0.00 -1.26 -4.91 107.32 97.83 1oux s GLY 24 Ca 0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1oux s GLY 24 CO 0.71 -0.42 1.39 -1.59 0.00 0.00 0.00 173.10 173.19 1oux s THR 25 N -2.07 3.86 0.00 0.90 2.01 -1.26 -4.70 115.64 114.38 1oux s THR 25 Ca 0.44 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 1oux s THR 25 Cb -0.11 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1oux s THR 25 CO 0.29 -0.04 0.48 -1.10 -0.69 0.00 0.00 174.62 173.57 1oux s GLN 26 N 2.82 4.10 -0.30 4.92 -1.52 -0.12 -4.21 119.66 125.35 1oux s GLN 26 Ca 0.63 0.54 0.02 0.00 -1.95 0.00 0.00 55.36 54.59 1oux s GLN 26 Cb -0.29 -3.27 0.07 0.00 -0.22 0.00 0.00 33.01 29.31 1oux s GLN 26 CO 0.24 0.57 -0.01 0.99 -0.25 0.00 0.00 175.29 176.83 1oux s THR 27 N -0.77 2.47 -0.29 -0.19 2.01 -0.20 -1.70 115.64 116.96 1oux s THR 27 Ca 0.26 -1.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.33 1oux s THR 27 Cb -0.17 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1oux s THR 27 CO 0.15 -0.27 0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 1oux s VAL 28 N 1.08 4.74 -0.14 3.82 1.01 0.11 -1.54 120.40 129.48 1oux s VAL 28 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1oux s VAL 28 Cb -0.20 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1oux s VAL 28 CO -0.05 0.15 -0.07 0.21 0.00 0.00 0.00 175.10 175.34 1oux s ASN 29 N 1.65 4.49 -0.29 3.32 2.47 0.81 -0.63 114.94 126.75 1oux s ASN 29 Ca 0.06 -0.21 -0.06 0.00 0.42 0.00 0.00 52.86 53.07 1oux s ASN 29 Cb -0.16 -1.72 0.02 0.00 -1.45 0.00 0.00 41.25 37.94 1oux s ASN 29 CO 0.07 0.17 0.06 -0.69 -3.72 0.00 0.00 177.10 172.99 1oux s VAL 30 N 0.35 3.72 -0.14 -5.21 1.01 -0.15 -0.68 120.40 119.31 1oux s VAL 30 Ca -0.07 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1oux s VAL 30 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1oux s VAL 30 CO 0.04 0.05 0.12 -0.76 0.00 0.00 0.00 175.10 174.54 1oux s LEU 31 N 1.45 4.22 -0.07 3.92 1.02 0.11 -0.11 118.68 129.21 1oux s LEU 31 Ca 0.01 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.53 1oux s LEU 31 Cb -0.18 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.02 1oux s LEU 31 CO 0.01 0.35 -0.09 -0.69 0.02 0.00 0.00 176.35 175.95 1oux s VAL 32 N -0.65 0.93 -1.63 -1.59 1.01 0.21 -0.48 120.40 118.20 1oux s VAL 32 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1oux s VAL 32 Cb -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1oux s VAL 32 CO 0.02 0.32 0.10 0.59 0.00 0.00 0.00 175.10 176.14 1oux n ASN 33 N 4.25 -5.60 -1.33 3.32 3.02 -0.64 -0.64 115.26 117.65 1oux n ASN 33 Ca -0.20 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.17 1oux n ASN 33 Cb 0.51 -4.65 -0.05 0.00 -0.61 0.00 0.00 39.78 34.98 1oux n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1oux n ASN 34 N -2.06 -4.80 -4.26 6.41 3.02 -1.26 -5.00 115.26 107.31 1oux n ASN 34 Ca -0.21 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 1oux n ASN 34 Cb 0.66 -3.73 -0.15 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.67 1.79 -0.05 3.52 8.01 0.19 -5.06 118.70 123.43 1oux s GLU 35 Ca 0.00 -0.85 -0.30 0.00 0.01 0.00 0.00 54.97 53.83 1oux s GLU 35 Cb 0.00 -1.77 -0.06 0.00 -4.31 0.00 0.00 34.13 27.98 1oux s GLU 35 CO 0.00 0.48 1.81 0.99 0.01 0.00 0.00 175.26 178.55 1oux s THR 36 N -0.59 3.34 -0.08 3.63 2.01 -1.26 -0.62 115.64 122.07 1oux s THR 36 Ca 0.09 0.40 0.16 0.00 0.31 0.00 0.00 61.69 62.65 1oux s THR 36 Cb -0.09 -3.28 -0.24 0.00 0.01 0.00 0.00 72.50 68.90 1oux s THR 36 CO -0.00 -0.06 0.25 0.00 -0.69 0.00 0.00 174.62 174.11 1oux n ALA 37 N 7.81 2.22 -3.50 7.40 0.00 0.84 -4.91 120.51 130.37 1oux n ALA 37 Ca 0.19 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 1oux n ALA 37 Cb 0.43 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.88 -1.75 -0.09 0.00 0.00 -1.13 -5.01 121.76 110.91 1oux s ALA 38 Ca -0.07 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 1oux s ALA 38 Cb 0.09 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1oux s ALA 38 CO 0.70 -0.50 0.19 0.99 0.00 0.00 0.00 175.76 177.14 1oux s THR 39 N -2.04 -0.12 -0.03 0.00 2.01 -1.26 -0.97 115.64 113.23 1oux s THR 39 Ca -0.05 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1oux s THR 39 Cb -0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1oux s THR 39 CO 0.01 0.09 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.42 1oux s PHE 40 N 1.50 2.39 -0.05 4.92 0.08 0.19 -4.97 117.98 122.04 1oux s PHE 40 Ca -0.06 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1oux s PHE 40 Cb -0.11 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1oux s PHE 40 CO -0.07 -0.06 0.01 -1.12 -0.10 0.00 0.00 175.22 173.88 1oux s SER 41 N -0.52 1.08 0.00 1.36 0.01 -1.26 0.08 113.70 114.46 1oux s SER 41 Ca 0.07 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1oux s SER 41 Cb -0.11 -0.30 0.10 0.00 0.21 0.00 0.00 66.02 65.92 1oux s SER 41 CO 0.00 -0.17 0.95 -0.83 0.41 0.00 0.00 173.24 173.60 1oux s GLY 42 N 1.67 -0.41 -0.05 3.44 0.00 -0.69 -4.96 107.32 106.32 1oux s GLY 42 Ca -0.00 0.90 0.04 0.00 0.00 0.00 0.00 44.72 45.66 1oux s GLY 42 CO -0.03 0.29 -0.16 1.62 0.00 0.00 0.00 173.10 174.82 1oux s GLN 43 N -3.06 1.73 -0.22 2.90 -0.44 -1.26 -0.94 119.66 118.38 1oux s GLN 43 Ca 0.07 -0.55 -0.29 0.00 -2.50 0.00 0.00 55.36 52.08 1oux s GLN 43 Cb -0.01 -1.49 0.15 0.00 -1.64 0.00 0.00 33.01 30.03 1oux s GLN 43 CO -0.06 0.19 1.15 0.45 0.50 0.00 0.00 175.29 177.52 1oux s SER 44 N 0.18 -0.23 0.00 6.67 0.15 -1.25 -5.01 113.70 114.21 1oux s SER 44 Ca -0.06 0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.87 1oux s SER 44 Cb -0.12 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1oux s SER 44 CO 0.03 -0.21 0.98 0.35 1.20 0.00 0.00 173.24 175.58 1oux n THR 45 N 0.72 0.87 -1.79 6.45 -2.24 -1.26 -0.20 114.28 116.83 1oux n THR 45 Ca -0.06 -0.93 -0.03 0.00 -2.27 0.00 0.00 64.05 60.76 1oux n THR 45 Cb 0.58 0.57 0.14 0.00 -2.10 0.00 0.00 70.33 69.53 1oux n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1oux n ASN 46 N -0.29 2.57 -2.66 3.42 3.02 -1.26 -4.82 115.26 115.25 1oux n ASN 46 Ca 0.02 -3.73 -0.20 0.00 -0.03 0.00 0.00 54.58 50.63 1oux n ASN 46 Cb 0.25 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1oux n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1oux n ASN 47 N -0.91 -5.72 -4.77 6.41 5.15 -0.59 -4.97 115.26 109.86 1oux n ASN 47 Ca 0.25 -0.22 -0.39 0.00 -0.60 0.00 0.00 54.58 53.62 1oux n ASN 47 Cb 0.79 -4.59 -0.00 0.00 -0.53 0.00 0.00 39.78 35.46 1oux n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oux s ALA 48 N -3.10 3.15 -0.86 5.20 0.00 -1.23 -4.58 121.76 120.33 1oux s ALA 48 Ca 0.23 1.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.11 1oux s ALA 48 Cb -0.10 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1oux s ALA 48 CO 0.28 -0.83 1.31 0.08 0.00 0.00 0.00 175.76 176.60 1oux s VAL 49 N -1.33 3.95 -2.00 0.00 1.01 -1.26 -1.99 120.40 118.78 1oux s VAL 49 Ca 0.60 -0.33 0.18 0.00 0.00 0.00 0.00 61.98 62.43 1oux s VAL 49 Cb -0.36 -4.94 0.52 0.00 0.00 0.00 0.00 36.38 31.60 1oux s VAL 49 CO 0.45 -1.82 1.59 2.30 0.00 0.00 0.00 175.10 177.62 1oux n ILE 50 N 6.47 0.00 0.00 2.22 -5.35 -0.69 -4.83 119.36 117.18 1oux n ILE 50 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1oux n ILE 50 Cb 0.49 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.54 2.52 3.62 3.28 0.00 -1.24 -4.41 105.19 109.50 1oux n GLY 51 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.34 -0.46 0.18 2.61 -1.32 -1.26 -0.90 115.64 113.15 1oux s THR 52 Ca 0.00 0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.42 1oux s THR 52 Cb 0.00 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1oux s THR 52 CO 0.00 0.00 0.25 -1.10 -2.21 0.00 0.00 174.62 171.56 1oux s GLN 53 N 2.22 1.19 -0.24 7.08 -0.21 -0.46 -4.98 119.66 124.25 1oux s GLN 53 Ca -0.08 -1.32 -0.04 0.00 0.02 0.00 0.00 55.36 53.94 1oux s GLN 53 Cb -0.08 0.35 -0.00 0.00 1.00 0.00 0.00 33.01 34.27 1oux s GLN 53 CO -0.19 -0.42 -0.02 0.08 -2.12 0.00 0.00 175.29 172.62 1oux s VAL 54 N -4.03 3.50 0.40 1.09 1.01 -1.26 -1.06 120.40 120.05 1oux s VAL 54 Ca 0.23 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1oux s VAL 54 Cb 0.04 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 1oux s VAL 54 CO 0.04 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.77 1oux s LEU 55 N 1.48 2.95 -0.14 3.92 1.43 -0.09 -4.92 118.68 123.31 1oux s LEU 55 Ca 0.05 -1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 51.89 1oux s LEU 55 Cb -0.15 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1oux s LEU 55 CO -0.02 -0.44 -0.08 0.21 0.23 0.00 0.00 176.35 176.26 1oux s ASN 56 N -3.76 4.44 0.30 2.29 3.84 -1.26 -0.22 114.94 120.58 1oux s ASN 56 Ca 0.37 -0.21 0.19 0.00 0.21 0.00 0.00 52.86 53.42 1oux s ASN 56 Cb 0.07 -1.66 1.05 0.00 -0.55 0.00 0.00 41.25 40.16 1oux s ASN 56 CO 0.19 0.18 1.58 -1.54 -2.79 0.00 0.00 177.10 174.72 1oux n SER 57 N 3.43 0.50 -0.81 -4.21 3.41 0.14 -4.87 113.62 111.22 1oux n SER 57 Ca -0.18 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1oux n SER 57 Cb 0.53 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.30 -1.89 0.27 5.00 0.00 -1.26 -1.67 105.19 104.34 1oux n GLY 58 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.61 0.46 0.00 1.61 4.64 -1.94 0.87 113.55 118.58 1oux h SER 59 Ca 0.01 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 1oux h SER 59 Cb 0.60 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1oux h SER 59 CO 0.00 0.53 -0.80 0.77 -0.87 0.00 0.00 176.83 176.46 1oux h SER 60 N 0.47 0.70 0.00 4.97 4.64 -1.98 -3.43 113.55 118.92 1oux h SER 60 Ca 0.10 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1oux h SER 60 Cb 0.31 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1oux h SER 60 CO 0.01 1.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.94 1oux n GLY 61 N 1.09 0.82 3.61 -0.77 0.00 -0.67 -4.77 105.19 104.50 1oux n GLY 61 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1oux n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oux s LYS 62 N -0.14 3.97 -0.12 1.61 0.00 -1.26 -0.45 119.74 123.36 1oux s LYS 62 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 55.97 56.46 1oux s LYS 62 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 37.83 34.11 1oux s LYS 62 CO 0.00 -0.57 -0.17 0.08 0.00 0.00 0.00 175.35 174.68 1oux s VAL 63 N 2.71 2.66 -0.03 1.79 1.01 -0.32 -1.62 120.40 126.60 1oux s VAL 63 Ca 0.28 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1oux s VAL 63 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1oux s VAL 63 CO 0.11 0.54 -0.12 -1.58 0.00 0.00 0.00 175.10 174.06 1oux s GLN 64 N 0.31 1.21 -0.17 2.72 0.74 0.37 -0.44 119.66 124.40 1oux s GLN 64 Ca -0.13 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.84 1oux s GLN 64 Cb -0.17 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.82 1oux s GLN 64 CO 0.07 0.16 -0.03 0.08 -0.55 0.00 0.00 175.29 175.01 1oux s VAL 65 N 0.14 3.82 -0.02 1.34 1.01 -0.30 0.08 120.40 126.46 1oux s VAL 65 Ca -0.03 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1oux s VAL 65 Cb -0.09 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1oux s VAL 65 CO 0.01 0.47 -0.22 -1.10 0.00 0.00 0.00 175.10 174.26 1oux s GLN 66 N 0.63 1.86 -0.05 2.72 -0.21 0.15 -4.79 119.66 119.97 1oux s GLN 66 Ca -0.02 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.60 1oux s GLN 66 Cb -0.14 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.13 1oux s GLN 66 CO 0.02 0.44 -0.09 0.08 -2.12 0.00 0.00 175.29 173.62 1oux s VAL 67 N -0.42 0.86 0.03 1.09 1.01 -1.26 -0.14 120.40 121.58 1oux s VAL 67 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1oux s VAL 67 Cb -0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1oux s VAL 67 CO -0.00 0.28 0.06 -0.94 0.00 0.00 0.00 175.10 174.50 1oux s SER 68 N 0.56 0.21 -0.28 3.32 1.04 -0.59 0.20 113.70 118.16 1oux s SER 68 Ca -0.10 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1oux s SER 68 Cb -0.13 0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.25 1oux s SER 68 CO 0.02 -0.45 -0.06 -0.69 0.98 0.00 0.00 173.24 173.04 1oux s VAL 69 N -2.32 2.18 -1.25 5.02 1.01 0.87 -1.03 120.40 124.88 1oux s VAL 69 Ca -0.08 -1.85 -0.00 0.00 0.00 0.00 0.00 61.98 60.05 1oux s VAL 69 Cb -0.03 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1oux s VAL 69 CO -0.04 -0.22 0.84 0.59 0.00 0.00 0.00 175.10 176.28 1oux n ASN 70 N 4.38 -1.74 0.00 3.32 5.03 -1.26 -2.16 115.26 122.83 1oux n ASN 70 Ca -0.08 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.64 1oux n ASN 70 Cb 0.42 -4.58 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 1oux n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oux n GLY 71 N -1.36 2.64 3.56 7.41 0.00 -1.26 -5.01 105.19 111.18 1oux n GLY 71 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.17 3.73 0.25 1.61 3.52 -0.92 -5.04 118.95 121.92 1oux s ARG 72 Ca 0.00 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 1oux s ARG 72 Cb 0.00 -3.75 -0.11 0.00 -1.56 0.00 0.00 34.95 29.53 1oux s ARG 72 CO 0.00 -0.40 1.64 -2.14 -0.81 0.00 0.00 175.30 173.58 1oux s PRO 73 N 1.96 4.14 0.40 5.12 0.02 -1.26 -0.09 135.00 145.28 1oux s PRO 73 Ca 0.11 2.56 -0.07 0.00 0.02 0.00 0.00 61.00 63.62 1oux s PRO 73 Cb -0.16 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1oux s PRO 73 CO 0.11 -0.67 0.71 -1.12 -0.33 0.00 0.00 177.00 175.70 1oux s SER 74 N 0.81 6.42 0.05 2.53 0.01 0.13 -4.89 113.70 118.77 1oux s SER 74 Ca 0.68 0.94 -0.28 0.00 1.31 0.00 0.00 55.95 58.60 1oux s SER 74 Cb -0.48 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1oux s SER 74 CO 0.40 -0.40 0.89 -0.62 0.41 0.00 0.00 173.24 173.92 1oux s ASP 75 N -3.47 7.35 0.10 2.44 2.15 -0.94 -4.78 116.67 119.51 1oux s ASP 75 Ca 0.48 1.62 0.04 0.00 0.43 0.00 0.00 52.55 55.11 1oux s ASP 75 Cb -0.10 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1oux s ASP 75 CO 0.35 -0.09 0.07 -0.76 -0.17 0.00 0.00 175.17 174.57 1oux s LEU 76 N 0.27 3.72 0.01 -1.34 1.43 -1.26 -1.41 118.68 120.10 1oux s LEU 76 Ca 0.45 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1oux s LEU 76 Cb -0.22 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1oux s LEU 76 CO 0.27 0.15 -0.12 0.68 0.23 0.00 0.00 176.35 177.56 1oux s VAL 77 N -1.44 0.96 0.24 -1.59 -7.23 -0.55 -4.79 120.40 106.01 1oux s VAL 77 Ca 0.29 -0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 59.52 1oux s VAL 77 Cb -0.12 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 36.01 1oux s VAL 77 CO 0.21 0.12 0.76 -0.94 -0.31 0.00 0.00 175.10 174.94 1oux s SER 78 N -0.69 -0.27 -0.12 4.85 1.04 -1.26 -0.37 113.70 116.89 1oux s SER 78 Ca 0.02 -0.52 -0.33 0.00 0.48 0.00 0.00 55.95 55.60 1oux s SER 78 Cb -0.06 0.67 0.13 0.00 0.10 0.00 0.00 66.02 66.86 1oux s SER 78 CO 0.00 -1.23 1.24 0.00 0.98 0.00 0.00 173.24 174.23 1oux s ALA 79 N -3.78 -2.13 -0.04 5.32 0.00 -0.79 -4.92 121.76 115.42 1oux s ALA 79 Ca 0.10 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1oux s ALA 79 Cb -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1oux s ALA 79 CO 0.04 -0.78 -0.17 -1.14 0.00 0.00 0.00 175.76 173.71 1oux s GLN 80 N -2.43 1.79 0.04 0.00 0.74 -1.26 0.11 119.66 118.64 1oux s GLN 80 Ca 0.11 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 54.98 1oux s GLN 80 Cb 0.01 -1.56 -0.02 0.00 1.10 0.00 0.00 33.01 32.54 1oux s GLN 80 CO -0.04 0.25 -0.20 0.54 -0.55 0.00 0.00 175.29 175.29 1oux s VAL 81 N 0.02 1.63 -0.09 1.34 0.11 0.02 -4.98 120.40 118.44 1oux s VAL 81 Ca -0.03 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 1oux s VAL 81 Cb -0.11 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1oux s VAL 81 CO 0.02 0.21 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.21 1oux s ILE 82 N -0.78 1.47 -0.02 7.04 1.01 -1.26 -1.19 121.20 127.47 1oux s ILE 82 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1oux s ILE 82 Cb -0.09 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1oux s ILE 82 CO 0.02 0.43 0.01 -0.76 0.00 0.00 0.00 174.94 174.64 1oux s LEU 83 N 0.73 3.58 -1.59 2.97 1.43 0.37 -4.48 118.68 121.69 1oux s LEU 83 Ca -0.12 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 1oux s LEU 83 Cb -0.16 -2.01 0.19 0.00 0.03 0.00 0.00 46.19 44.24 1oux s LEU 83 CO 0.03 0.30 0.54 1.07 0.23 0.00 0.00 176.35 178.52 1oux n THR 84 N 1.52 -0.18 -1.68 5.49 5.66 -1.26 -0.39 114.28 123.43 1oux n THR 84 Ca -0.15 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.73 1oux n THR 84 Cb 0.53 -0.66 -0.04 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.35 -3.42 0.00 1.09 5.15 -1.26 -4.64 115.26 109.83 1oux n ASN 85 Ca 0.09 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1oux n ASN 85 Cb 0.47 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 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 -2.10 0.00 -3.18 1.20 0.00 0.47 -5.07 120.64 111.96 1oux n GLU 86 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.62 1oux n GLU 86 Cb 0.46 -0.47 -0.07 0.00 0.00 0.00 0.00 31.44 31.36 1oux n GLU 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1oux s LEU 87 N -2.53 4.24 -0.10 4.31 2.96 -0.59 -4.47 118.68 122.49 1oux s LEU 87 Ca 0.00 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1oux s LEU 87 Cb 0.00 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1oux s LEU 87 CO 0.00 -0.49 0.08 0.20 -1.32 0.00 0.00 176.35 174.82 1oux s ASN 88 N 1.72 5.84 -0.07 3.68 -0.87 -0.26 -0.48 114.94 124.50 1oux s ASN 88 Ca 0.22 0.31 -0.00 0.00 -1.57 0.00 0.00 52.86 51.81 1oux s ASN 88 Cb -0.15 -1.78 0.02 0.00 -0.02 0.00 0.00 41.25 39.32 1oux s ASN 88 CO 0.13 0.39 -0.04 -0.36 -2.57 0.00 0.00 177.10 174.65 1oux s PHE 89 N -0.98 0.95 -0.26 2.20 0.40 -0.33 -2.43 117.98 117.52 1oux s PHE 89 Ca 0.15 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1oux s PHE 89 Cb -0.12 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1oux s PHE 89 CO 0.04 -0.33 0.07 0.00 0.70 0.00 0.00 175.22 175.70 1oux s ALA 90 N 1.53 3.13 -0.10 5.36 0.00 0.11 -0.80 121.76 130.98 1oux s ALA 90 Ca -0.01 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1oux s ALA 90 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1oux s ALA 90 CO -0.04 -0.62 -0.02 -0.51 0.00 0.00 0.00 175.76 174.57 1oux s LEU 91 N 1.58 3.41 -0.02 0.00 1.43 0.12 -0.59 118.68 124.61 1oux s LEU 91 Ca 0.05 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1oux s LEU 91 Cb -0.16 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1oux s LEU 91 CO 0.03 0.31 -0.05 -0.69 0.23 0.00 0.00 176.35 176.18 1oux s VAL 92 N -0.47 0.47 0.20 -1.59 1.01 -0.08 -1.89 120.40 118.06 1oux s VAL 92 Ca 0.08 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1oux s VAL 92 Cb -0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1oux s VAL 92 CO 0.02 0.16 -0.16 -0.83 0.00 0.00 0.00 175.10 174.29 1oux s GLY 93 N 0.21 1.47 -0.05 4.51 0.00 0.50 -1.34 107.32 112.62 1oux s GLY 93 Ca -0.02 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 1oux s GLY 93 CO -0.00 -1.72 0.26 -1.35 0.00 0.00 0.00 173.10 170.29 1oux s SER 94 N -3.15 -0.18 -0.13 1.64 1.04 -0.93 -1.48 113.70 110.50 1oux s SER 94 Ca 0.21 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.86 1oux s SER 94 Cb -0.03 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1oux s SER 94 CO 0.08 -0.30 -0.16 -0.70 0.98 0.00 0.00 173.24 173.14 1oux s GLU 95 N -0.78 2.36 0.00 4.02 2.56 -0.50 -2.46 118.70 123.90 1oux s GLU 95 Ca -0.09 -0.60 0.16 0.00 0.00 0.00 0.00 54.97 54.44 1oux s GLU 95 Cb -0.04 -2.04 0.02 0.00 2.00 0.00 0.00 34.13 34.07 1oux s GLU 95 CO 0.02 -0.11 0.89 -0.40 -0.56 0.00 0.00 175.26 175.10 1oux n ASP 96 N 4.37 1.78 0.00 -1.70 5.68 -1.26 -2.22 116.55 123.20 1oux n ASP 96 Ca -0.19 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1oux n ASP 96 Cb 0.51 0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 1.10 5.00 0.17 6.12 0.00 -1.26 -5.05 105.19 111.28 1oux n GLY 97 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 0.08 1.01 2.61 -2.24 -1.26 -4.66 114.28 109.82 1oux n THR 98 Ca 0.00 -0.54 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1oux n THR 98 Cb 0.00 1.04 0.29 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.21 0.47 -3.14 3.42 3.85 -1.26 -4.97 116.55 115.12 1oux n ASP 99 Ca 0.03 -0.20 -0.23 0.00 -0.71 0.00 0.00 54.79 53.68 1oux n ASP 99 Cb 0.12 0.18 0.02 0.00 -1.35 0.00 0.00 41.12 40.10 1oux n ASP 99 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1oux n ASN 100 N -1.48 -5.19 0.06 -1.12 3.02 -1.26 -4.87 115.26 104.42 1oux n ASN 100 Ca 0.06 -0.32 0.12 0.00 -0.03 0.00 0.00 54.58 54.41 1oux n ASN 100 Cb 0.34 -4.22 0.29 0.00 -0.61 0.00 0.00 39.78 35.57 1oux n ASN 100 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1oux n ASP 101 N -2.43 0.63 -2.66 6.41 3.85 -1.26 -4.94 116.55 116.15 1oux n ASP 101 Ca -0.08 0.22 -0.11 0.00 -0.71 0.00 0.00 54.79 54.11 1oux n ASP 101 Cb 0.59 -0.13 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 1oux n ASP 101 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1oux n TYR 102 N -1.99 -1.63 0.09 2.11 4.01 -1.26 -4.77 117.16 113.71 1oux n TYR 102 Ca 0.05 0.09 0.01 0.00 -0.16 0.00 0.00 57.90 57.89 1oux n TYR 102 Cb 0.41 -2.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 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 -1.82 0.84 -0.38 7.72 6.94 -1.15 -2.20 115.26 125.21 1oux n ASN 103 Ca -0.08 -0.92 0.32 0.00 -0.02 0.00 0.00 54.58 53.88 1oux n ASN 103 Cb 0.57 0.31 0.59 0.00 -2.36 0.00 0.00 39.78 38.88 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 0.29 0.33 -2.43 0.53 3.32 -1.57 -3.27 116.42 113.64 1oux h ASP 104 Ca 0.00 0.18 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 1oux h ASP 104 Cb 0.08 0.16 -0.32 0.00 0.22 0.00 0.00 39.33 39.47 1oux h ASP 104 CO 0.00 -0.23 -0.53 0.00 -1.72 0.00 0.00 179.24 176.76 1oux s ALA 105 N -5.45 -0.69 -0.14 3.45 0.00 -1.25 -1.47 121.76 116.21 1oux s ALA 105 Ca -0.09 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1oux s ALA 105 Cb 0.31 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1oux s ALA 105 CO 0.80 -1.02 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 1oux s VAL 106 N 2.45 3.89 -0.03 0.00 1.01 -0.03 -2.53 120.40 125.17 1oux s VAL 106 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1oux s VAL 106 Cb -0.14 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1oux s VAL 106 CO -0.12 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1oux s VAL 107 N 0.12 1.25 -0.07 2.92 1.01 -0.45 0.55 120.40 125.73 1oux s VAL 107 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1oux s VAL 107 Cb -0.14 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1oux s VAL 107 CO 0.03 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 1oux s VAL 108 N -0.01 1.31 -0.14 2.92 1.01 0.60 -0.90 120.40 125.20 1oux s VAL 108 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1oux s VAL 108 Cb -0.10 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1oux s VAL 108 CO 0.01 0.39 -0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1oux s ILE 109 N 0.56 2.62 0.04 2.22 1.01 0.24 -0.94 121.20 126.95 1oux s ILE 109 Ca -0.15 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1oux s ILE 109 Cb -0.16 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1oux s ILE 109 CO 0.05 0.53 -0.13 0.54 0.00 0.00 0.00 174.94 175.92 1oux s ASN 110 N 0.60 1.52 0.02 3.58 4.22 -0.66 0.04 114.94 124.26 1oux s ASN 110 Ca -0.10 -0.46 -0.28 0.00 -2.14 0.00 0.00 52.86 49.88 1oux s ASN 110 Cb -0.16 -0.08 0.10 0.00 1.28 0.00 0.00 41.25 42.38 1oux s ASN 110 CO 0.03 0.00 0.88 -1.66 -2.04 0.00 0.00 177.10 174.31 1oux s TRP 111 N -0.90 -0.34 0.82 1.54 -2.14 -1.02 -1.12 118.94 115.79 1oux s TRP 111 Ca 0.00 0.18 -0.12 0.00 2.66 0.00 0.00 56.10 58.83 1oux s TRP 111 Cb -0.08 0.55 0.08 0.00 -3.10 0.00 0.00 33.47 30.92 1oux s TRP 111 CO 0.01 -0.59 1.11 -1.25 -2.66 0.00 0.00 176.95 173.57 1oux s PRO 112 N -3.17 1.89 0.52 3.25 0.04 -1.26 -1.10 135.00 135.17 1oux s PRO 112 Ca 0.05 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.67 1oux s PRO 112 Cb -0.01 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1oux s PRO 112 CO -0.08 -1.73 0.44 1.28 0.04 0.00 0.00 177.00 176.94 1oux n LEU 113 N -3.49 0.00 0.00 -3.56 4.77 -1.26 -5.00 117.00 108.46 1oux n LEU 113 Ca 0.07 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1oux n LEU 113 Cb 0.57 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1oux n LEU 113 CO 0.57 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.65