#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 2.68 0.07 0.00 2.01 -1.26 -5.03 115.64 114.11 1oux s THR 2 Ca 0.00 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.62 1oux s THR 2 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1oux s THR 2 CO 0.00 0.08 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.85 1oux s GLN 3 N -2.25 0.67 0.00 4.92 -1.52 -1.26 -4.85 119.66 115.37 1oux s GLN 3 Ca 0.57 -1.07 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1oux s GLN 3 Cb -0.37 -0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.24 1oux s GLN 3 CO 0.47 -0.00 0.00 0.41 -0.25 0.00 0.00 175.29 175.92 1oux n GLY 4 N 0.62 0.65 3.36 3.09 0.00 -1.26 -4.91 105.19 106.73 1oux n GLY 4 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.12 3.06 0.01 1.61 1.01 -1.26 -0.22 120.40 122.49 1oux s VAL 5 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1oux s VAL 5 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1oux s VAL 5 CO 0.00 0.51 -0.08 -0.36 0.00 0.00 0.00 175.10 175.17 1oux s PHE 6 N 0.50 0.75 -0.38 5.22 0.08 0.10 -5.01 117.98 119.24 1oux s PHE 6 Ca -0.08 -0.24 -0.09 0.00 0.12 0.00 0.00 56.93 56.64 1oux s PHE 6 Cb -0.16 -0.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.88 1oux s PHE 6 CO 0.04 -0.02 0.20 0.99 -0.10 0.00 0.00 175.22 176.33 1oux s THR 7 N -0.53 4.23 0.45 0.64 2.01 -1.26 -0.68 115.64 120.49 1oux s THR 7 Ca -0.00 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 60.90 1oux s THR 7 Cb -0.05 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1oux s THR 7 CO 0.00 -0.32 0.63 -0.76 -0.69 0.00 0.00 174.62 173.47 1oux s LEU 8 N 1.46 3.61 0.63 4.42 1.02 0.13 -5.00 118.68 124.95 1oux s LEU 8 Ca 0.01 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 1oux s LEU 8 Cb -0.21 -2.83 -0.02 0.00 0.02 0.00 0.00 46.19 43.15 1oux s LEU 8 CO 0.04 -0.79 1.26 -2.84 0.02 0.00 0.00 176.35 174.04 1oux s PRO 9 N -4.47 2.71 0.66 1.29 0.02 -1.26 -4.49 135.00 129.46 1oux s PRO 9 Ca 0.52 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 63.35 1oux s PRO 9 Cb -0.10 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.54 1oux s PRO 9 CO 0.35 -1.45 1.26 0.00 -0.33 0.00 0.00 177.00 176.83 1oux s ALA 10 N -1.46 2.34 -1.48 -1.55 0.00 -1.26 -3.54 121.76 114.81 1oux s ALA 10 Ca 0.81 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.83 1oux s ALA 10 Cb -0.35 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1oux s ALA 10 CO 0.37 -1.60 0.17 0.09 0.00 0.00 0.00 175.76 174.79 1oux n ASN 11 N -2.04 0.06 -4.23 0.00 3.02 0.47 -4.85 115.26 107.69 1oux n ASN 11 Ca 0.15 -1.23 -0.30 0.00 -0.03 0.00 0.00 54.58 53.18 1oux n ASN 11 Cb 0.49 -1.91 -0.16 0.00 -0.61 0.00 0.00 39.78 37.59 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 -4.20 1.84 0.30 3.41 2.01 -1.23 -4.82 115.64 112.95 1oux s THR 12 Ca 0.06 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 1oux s THR 12 Cb -0.03 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.82 1oux s THR 12 CO 0.97 0.52 1.12 -0.13 -0.69 0.00 0.00 174.62 176.41 1oux s ARG 13 N -0.17 4.56 0.06 4.92 3.00 -1.26 -0.77 118.95 129.29 1oux s ARG 13 Ca -0.02 1.83 -0.12 0.00 0.00 0.00 0.00 55.73 57.42 1oux s ARG 13 Cb -0.12 -3.12 0.01 0.00 0.00 0.00 0.00 34.95 31.72 1oux s ARG 13 CO 0.03 0.13 0.27 -0.59 0.00 0.00 0.00 175.30 175.13 1oux s PHE 14 N -1.20 -0.03 0.13 -0.53 -0.71 -0.38 -4.16 117.98 111.10 1oux s PHE 14 Ca 0.46 -0.21 0.01 0.00 -1.04 0.00 0.00 56.93 56.15 1oux s PHE 14 Cb -0.32 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 1oux s PHE 14 CO 0.41 -0.52 0.28 0.20 -1.34 0.00 0.00 175.22 174.25 1oux s GLY 15 N -2.32 1.87 -0.05 1.99 0.00 -0.00 -1.35 107.32 107.46 1oux s GLY 15 Ca -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1oux s GLY 15 CO -0.06 -0.92 0.09 0.54 0.00 0.00 0.00 173.10 172.75 1oux s VAL 16 N -1.69 -0.11 -0.00 1.40 0.11 -0.69 -1.68 120.40 117.73 1oux s VAL 16 Ca 0.35 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 1oux s VAL 16 Cb -0.12 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1oux s VAL 16 CO 0.28 0.12 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.20 1oux s THR 17 N 1.61 0.68 -0.00 5.04 2.01 -0.21 -1.58 115.64 123.20 1oux s THR 17 Ca -0.03 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1oux s THR 17 Cb -0.12 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1oux s THR 17 CO -0.04 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 173.85 1oux s ALA 18 N -0.27 1.66 0.18 7.40 0.00 0.08 0.03 121.76 130.82 1oux s ALA 18 Ca 0.03 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1oux s ALA 18 Cb -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1oux s ALA 18 CO -0.00 0.40 -0.22 -0.06 0.00 0.00 0.00 175.76 175.88 1oux s PHE 19 N -0.54 2.08 -0.00 0.00 0.40 0.86 -1.44 117.98 119.33 1oux s PHE 19 Ca 0.07 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1oux s PHE 19 Cb -0.08 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 1oux s PHE 19 CO -0.00 0.41 -0.24 0.00 0.70 0.00 0.00 175.22 176.09 1oux s ALA 20 N -1.77 2.04 -0.41 5.36 0.00 -0.80 -0.90 121.76 125.28 1oux s ALA 20 Ca 0.18 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1oux s ALA 20 Cb -0.07 -0.50 0.30 0.00 0.00 0.00 0.00 23.12 22.86 1oux s ALA 20 CO 0.08 0.49 0.76 0.09 0.00 0.00 0.00 175.76 177.18 1oux n ASN 21 N 2.32 -0.34 -3.51 0.00 3.02 -0.55 -1.55 115.26 114.65 1oux n ASN 21 Ca -0.16 -3.08 -0.16 0.00 -0.03 0.00 0.00 54.58 51.16 1oux n ASN 21 Cb 0.52 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.79 -0.59 0.32 6.41 0.15 0.42 -3.82 113.70 114.80 1oux s SER 22 Ca 0.35 0.45 0.07 0.00 0.70 0.00 0.00 55.95 57.52 1oux s SER 22 Cb 0.27 0.54 0.54 0.00 -1.71 0.00 0.00 66.02 65.67 1oux s SER 22 CO -0.10 -0.71 1.76 0.28 1.20 0.00 0.00 173.24 175.66 1oux h SER 23 N 2.74 0.23 -3.81 5.45 0.02 -1.96 -3.34 113.55 112.89 1oux h SER 23 Ca -0.29 -0.08 -0.49 0.00 -0.84 0.00 0.00 61.79 60.08 1oux h SER 23 Cb 1.19 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1oux h SER 23 CO 0.39 0.57 0.18 -0.83 -1.14 0.00 0.00 176.83 176.00 1oux s GLY 24 N -4.18 1.90 0.04 -3.77 0.00 -1.26 -4.89 107.32 95.16 1oux s GLY 24 Ca -0.05 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1oux s GLY 24 CO 0.76 0.05 1.19 -1.59 0.00 0.00 0.00 173.10 173.51 1oux s THR 25 N -2.51 4.12 -0.13 0.90 2.01 -1.26 -4.68 115.64 114.09 1oux s THR 25 Ca 0.52 1.51 -0.15 0.00 0.31 0.00 0.00 61.69 63.88 1oux s THR 25 Cb -0.10 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1oux s THR 25 CO 0.34 0.10 0.35 -1.10 -0.69 0.00 0.00 174.62 173.61 1oux s GLN 26 N 1.27 4.21 -0.29 4.92 -1.52 0.21 -4.44 119.66 124.04 1oux s GLN 26 Ca 0.58 0.21 0.03 0.00 -1.95 0.00 0.00 55.36 54.22 1oux s GLN 26 Cb -0.28 -3.40 0.07 0.00 -0.22 0.00 0.00 33.01 29.18 1oux s GLN 26 CO 0.28 0.28 -0.05 0.99 -0.25 0.00 0.00 175.29 176.54 1oux s THR 27 N 0.29 2.30 -0.25 -0.19 2.01 -0.75 -1.76 115.64 117.30 1oux s THR 27 Ca 0.20 -1.80 -0.09 0.00 0.31 0.00 0.00 61.69 60.31 1oux s THR 27 Cb -0.14 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1oux s THR 27 CO 0.06 -0.19 0.13 -0.69 -0.69 0.00 0.00 174.62 173.24 1oux s VAL 28 N 1.07 4.92 -0.17 3.82 1.01 0.13 -2.07 120.40 129.12 1oux s VAL 28 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1oux s VAL 28 Cb -0.20 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1oux s VAL 28 CO -0.05 0.32 -0.02 0.21 0.00 0.00 0.00 175.10 175.56 1oux s ASN 29 N 1.40 4.85 -0.31 3.32 3.04 0.40 -0.52 114.94 127.13 1oux s ASN 29 Ca 0.06 -0.13 -0.06 0.00 0.04 0.00 0.00 52.86 52.77 1oux s ASN 29 Cb -0.15 -1.80 0.02 0.00 -1.54 0.00 0.00 41.25 37.78 1oux s ASN 29 CO 0.06 0.15 0.07 -0.69 -3.04 0.00 0.00 177.10 173.64 1oux s VAL 30 N 0.50 3.70 -0.11 -5.21 1.01 0.72 -1.05 120.40 119.95 1oux s VAL 30 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1oux s VAL 30 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1oux s VAL 30 CO 0.02 -0.01 0.23 -0.76 0.00 0.00 0.00 175.10 174.58 1oux s LEU 31 N 1.43 4.35 -0.18 3.92 1.43 0.10 -0.63 118.68 129.10 1oux s LEU 31 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1oux s LEU 31 Cb -0.18 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.84 1oux s LEU 31 CO 0.01 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.13 1oux s VAL 32 N -0.55 1.31 -1.18 -1.59 1.01 0.88 -1.10 120.40 119.18 1oux s VAL 32 Ca 0.16 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1oux s VAL 32 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1oux s VAL 32 CO 0.05 0.13 1.00 0.59 0.00 0.00 0.00 175.10 176.87 1oux n ASN 33 N 4.80 -3.26 -0.56 3.32 4.13 -0.87 -2.11 115.26 120.70 1oux n ASN 33 Ca -0.13 -0.56 -0.07 0.00 1.68 0.00 0.00 54.58 55.49 1oux n ASN 33 Cb 0.47 -4.86 -0.03 0.00 -1.54 0.00 0.00 39.78 33.82 1oux n ASN 33 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1oux n ASN 34 N -2.95 -5.75 -4.29 6.41 3.02 -1.26 -4.96 115.26 105.48 1oux n ASN 34 Ca -0.19 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.24 1oux n ASN 34 Cb 0.63 -3.90 -0.16 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.59 2.11 -0.17 3.52 8.01 -0.90 -5.07 118.70 123.62 1oux s GLU 35 Ca 0.00 -0.90 -0.29 0.00 0.01 0.00 0.00 54.97 53.79 1oux s GLU 35 Cb 0.00 -2.00 -0.04 0.00 -4.31 0.00 0.00 34.13 27.78 1oux s GLU 35 CO 0.00 0.51 1.83 0.99 0.01 0.00 0.00 175.26 178.61 1oux s THR 36 N -0.52 3.39 -0.09 3.63 2.01 -1.26 -0.08 115.64 122.72 1oux s THR 36 Ca 0.08 0.44 0.20 0.00 0.31 0.00 0.00 61.69 62.72 1oux s THR 36 Cb -0.10 -3.40 -0.30 0.00 0.01 0.00 0.00 72.50 68.70 1oux s THR 36 CO -0.00 -0.17 0.32 0.00 -0.69 0.00 0.00 174.62 174.07 1oux n ALA 37 N 9.07 2.31 -3.54 7.40 0.00 0.20 -4.91 120.51 131.03 1oux n ALA 37 Ca 0.22 -0.81 -0.17 0.00 0.00 0.00 0.00 53.44 52.67 1oux n ALA 37 Cb 0.44 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.11 -1.78 -0.03 0.00 0.00 -1.08 -5.02 121.76 110.74 1oux s ALA 38 Ca -0.09 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1oux s ALA 38 Cb 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1oux s ALA 38 CO 0.86 -0.36 -0.04 0.99 0.00 0.00 0.00 175.76 177.21 1oux s THR 39 N -0.90 0.45 -0.09 0.00 2.01 -1.26 -0.20 115.64 115.65 1oux s THR 39 Ca -0.08 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1oux s THR 39 Cb -0.01 -0.47 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 1oux s THR 39 CO 0.08 0.19 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.61 1oux s PHE 40 N 0.71 2.47 -0.05 4.92 0.08 0.33 -4.97 117.98 121.46 1oux s PHE 40 Ca -0.09 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1oux s PHE 40 Cb -0.12 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1oux s PHE 40 CO -0.00 -0.39 -0.03 0.45 -0.10 0.00 0.00 175.22 175.15 1oux s SER 41 N 0.31 1.15 -0.02 1.36 0.15 -1.26 0.23 113.70 115.62 1oux s SER 41 Ca -0.17 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1oux s SER 41 Cb -0.17 -0.46 0.12 0.00 -1.71 0.00 0.00 66.02 63.80 1oux s SER 41 CO 0.08 -0.09 1.28 -0.83 1.20 0.00 0.00 173.24 174.87 1oux s GLY 42 N 1.22 -0.41 -0.02 9.45 0.00 -0.72 -4.98 107.32 111.87 1oux s GLY 42 Ca -0.06 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.41 1oux s GLY 42 CO -0.02 0.14 -0.10 1.62 0.00 0.00 0.00 173.10 174.74 1oux s GLN 43 N -2.45 0.99 -0.20 2.90 -0.44 -1.26 -0.62 119.66 118.59 1oux s GLN 43 Ca 0.14 -0.36 -0.28 0.00 -2.50 0.00 0.00 55.36 52.35 1oux s GLN 43 Cb 0.04 -0.93 0.12 0.00 -1.64 0.00 0.00 33.01 30.60 1oux s GLN 43 CO -0.04 0.18 0.99 0.45 0.50 0.00 0.00 175.29 177.37 1oux s SER 44 N -0.01 -0.42 -0.05 6.67 0.15 -1.25 -5.01 113.70 113.77 1oux s SER 44 Ca -0.00 0.61 0.09 0.00 0.70 0.00 0.00 55.95 57.35 1oux s SER 44 Cb -0.07 0.54 0.20 0.00 -1.71 0.00 0.00 66.02 64.98 1oux s SER 44 CO 0.00 -0.29 1.14 0.35 1.20 0.00 0.00 173.24 175.65 1oux n THR 45 N 1.31 1.38 -2.54 6.45 -2.24 -1.26 -0.44 114.28 116.95 1oux n THR 45 Ca -0.12 -1.43 -0.10 0.00 -2.27 0.00 0.00 64.05 60.14 1oux n THR 45 Cb 0.57 0.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.54 2.79 -2.92 3.42 5.15 -1.25 -4.82 115.26 117.08 1oux n ASN 46 Ca 0.09 -2.70 -0.20 0.00 -0.60 0.00 0.00 54.58 51.17 1oux n ASN 46 Cb 0.46 -0.44 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 1oux n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1oux n ASN 47 N -0.60 -4.68 -4.78 1.20 5.15 -0.59 -4.95 115.26 106.01 1oux n ASN 47 Ca 0.21 -0.16 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 1oux n ASN 47 Cb 0.85 -3.86 -0.01 0.00 -0.53 0.00 0.00 39.78 36.23 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 -2.93 2.75 -0.50 5.20 0.00 -1.23 -4.57 121.76 120.47 1oux s ALA 48 Ca 0.22 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1oux s ALA 48 Cb -0.11 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1oux s ALA 48 CO 0.28 -0.64 1.14 0.08 0.00 0.00 0.00 175.76 176.61 1oux s VAL 49 N -1.82 4.18 -2.38 0.00 1.01 -1.26 -1.91 120.40 118.22 1oux s VAL 49 Ca 0.71 1.11 0.26 0.00 0.00 0.00 0.00 61.98 64.06 1oux s VAL 49 Cb -0.22 -4.62 0.55 0.00 0.00 0.00 0.00 36.38 32.09 1oux s VAL 49 CO 0.25 -1.08 1.73 2.30 0.00 0.00 0.00 175.10 178.30 1oux n ILE 50 N 6.78 0.06 0.00 2.22 -5.35 -0.52 -4.91 119.36 117.65 1oux n ILE 50 Ca 0.11 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1oux n ILE 50 Cb 0.49 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 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 1.13 2.50 3.34 3.28 0.00 -1.24 -4.21 105.19 110.00 1oux n GLY 51 Ca 0.18 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.13 -0.01 0.24 2.61 -1.32 -1.26 -0.74 115.64 114.02 1oux s THR 52 Ca 0.00 0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.34 1oux s THR 52 Cb 0.00 -0.67 0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1oux s THR 52 CO 0.00 0.02 0.63 -1.58 -2.21 0.00 0.00 174.62 171.48 1oux s GLN 53 N 1.05 1.59 -0.14 7.08 0.74 -0.61 -5.01 119.66 124.36 1oux s GLN 53 Ca -0.06 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.41 1oux s GLN 53 Cb -0.06 0.57 -0.03 0.00 1.10 0.00 0.00 33.01 34.59 1oux s GLN 53 CO -0.09 -0.71 -0.05 0.08 -0.55 0.00 0.00 175.29 173.97 1oux s VAL 54 N -3.89 3.76 0.34 1.34 1.01 -1.26 -1.71 120.40 119.98 1oux s VAL 54 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1oux s VAL 54 Cb -0.03 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1oux s VAL 54 CO 0.02 0.52 0.07 -0.76 0.00 0.00 0.00 175.10 174.95 1oux s LEU 55 N 0.13 2.14 -0.12 3.92 1.43 -0.45 -4.97 118.68 120.76 1oux s LEU 55 Ca -0.02 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1oux s LEU 55 Cb -0.14 -0.33 0.01 0.00 0.03 0.00 0.00 46.19 45.76 1oux s LEU 55 CO 0.03 -0.68 -0.20 0.21 0.23 0.00 0.00 176.35 175.95 1oux s ASN 56 N -3.52 2.84 0.59 2.29 3.84 -1.26 -1.25 114.94 118.46 1oux s ASN 56 Ca 0.33 -0.53 0.28 0.00 0.21 0.00 0.00 52.86 53.16 1oux s ASN 56 Cb 0.07 -1.30 1.61 0.00 -0.55 0.00 0.00 41.25 41.09 1oux s ASN 56 CO 0.15 0.06 2.06 0.77 -2.79 0.00 0.00 177.10 177.35 1oux h SER 57 N 7.30 0.00 -2.10 -4.21 4.64 -1.25 -3.46 113.55 114.47 1oux h SER 57 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1oux h SER 57 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1oux h SER 57 CO 0.52 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1oux n GLY 58 N -1.43 -1.39 0.47 -0.77 0.00 -1.26 -2.77 105.19 98.03 1oux n GLY 58 Ca 0.03 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1oux n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oux h SER 59 N 0.00 -1.19 0.33 1.61 0.02 -1.93 1.37 113.55 113.76 1oux h SER 59 Ca 0.00 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1oux h SER 59 Cb 0.00 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1oux h SER 59 CO 0.00 -0.64 -0.29 0.77 -1.14 0.00 0.00 176.83 175.53 1oux h SER 60 N -0.99 0.00 0.00 3.07 4.64 -1.97 -3.42 113.55 114.88 1oux h SER 60 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1oux h SER 60 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1oux h SER 60 CO -0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1oux n GLY 61 N -0.63 0.37 3.65 -0.77 0.00 -1.12 -4.82 105.19 101.88 1oux n GLY 61 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.69 4.21 -0.07 1.61 2.20 -1.26 0.20 119.74 125.94 1oux s LYS 62 Ca 0.00 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1oux s LYS 62 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1oux s LYS 62 CO 0.00 -0.48 -0.17 0.08 -0.36 0.00 0.00 175.35 174.42 1oux s VAL 63 N 2.70 1.52 -0.04 4.02 1.01 0.15 -2.06 120.40 127.69 1oux s VAL 63 Ca 0.36 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1oux s VAL 63 Cb -0.16 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1oux s VAL 63 CO 0.08 0.44 -0.09 -1.58 0.00 0.00 0.00 175.10 173.96 1oux s GLN 64 N 0.44 1.11 -0.13 2.72 0.74 -0.26 0.03 119.66 124.30 1oux s GLN 64 Ca -0.14 -0.28 -0.05 0.00 0.05 0.00 0.00 55.36 54.94 1oux s GLN 64 Cb -0.16 -1.01 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 1oux s GLN 64 CO 0.05 0.04 0.05 0.08 -0.55 0.00 0.00 175.29 174.96 1oux s VAL 65 N 0.49 4.70 0.00 1.34 1.01 0.69 0.00 120.40 128.63 1oux s VAL 65 Ca -0.08 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1oux s VAL 65 Cb -0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1oux s VAL 65 CO 0.01 0.55 -0.12 -1.10 0.00 0.00 0.00 175.10 174.44 1oux s GLN 66 N -0.34 0.91 -0.02 2.72 -0.21 -0.22 -4.75 119.66 117.75 1oux s GLN 66 Ca 0.08 -0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.02 1oux s GLN 66 Cb -0.12 -0.88 -0.00 0.00 1.00 0.00 0.00 33.01 33.01 1oux s GLN 66 CO 0.02 0.23 -0.11 0.08 -2.12 0.00 0.00 175.29 173.39 1oux s VAL 67 N -0.41 0.92 0.02 1.09 1.01 -1.26 -0.45 120.40 121.32 1oux s VAL 67 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1oux s VAL 67 Cb -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1oux s VAL 67 CO -0.00 0.27 0.23 -0.94 0.00 0.00 0.00 175.10 174.65 1oux s SER 68 N -0.09 -0.04 -0.31 3.32 1.04 -0.88 -0.12 113.70 116.62 1oux s SER 68 Ca 0.01 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1oux s SER 68 Cb -0.06 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.44 1oux s SER 68 CO 0.00 -0.51 0.06 -0.69 0.98 0.00 0.00 173.24 173.08 1oux s VAL 69 N -2.08 1.50 -0.69 5.02 1.01 -0.11 -1.80 120.40 123.25 1oux s VAL 69 Ca -0.09 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1oux s VAL 69 Cb -0.03 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1oux s VAL 69 CO -0.01 -0.57 0.58 0.59 0.00 0.00 0.00 175.10 175.69 1oux n ASN 70 N 4.60 -2.58 0.00 3.32 5.03 -1.26 -3.14 115.26 121.23 1oux n ASN 70 Ca -0.01 -0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.10 1oux n ASN 70 Cb 0.42 -3.07 0.00 0.00 -1.02 0.00 0.00 39.78 36.12 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 -1.13 2.68 3.66 7.41 0.00 -1.26 -4.98 105.19 111.56 1oux n GLY 71 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1oux n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oux s ARG 72 N -0.03 4.22 0.29 1.61 1.70 -1.19 -4.98 118.95 120.58 1oux s ARG 72 Ca 0.00 1.33 -0.29 0.00 -0.47 0.00 0.00 55.73 56.30 1oux s ARG 72 Cb 0.00 -3.67 -0.10 0.00 -0.57 0.00 0.00 34.95 30.61 1oux s ARG 72 CO 0.00 -0.69 1.43 -2.14 -1.08 0.00 0.00 175.30 172.82 1oux s PRO 73 N 3.32 4.25 0.30 3.89 0.02 -1.26 -0.93 135.00 144.59 1oux s PRO 73 Ca 0.45 2.35 -0.11 0.00 0.02 0.00 0.00 61.00 63.71 1oux s PRO 73 Cb -0.15 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.22 1oux s PRO 73 CO 0.09 -0.41 0.65 -1.12 -0.33 0.00 0.00 177.00 175.88 1oux s SER 74 N 0.14 6.63 0.19 2.53 0.01 0.82 -4.90 113.70 119.12 1oux s SER 74 Ca 0.57 1.05 -0.30 0.00 1.31 0.00 0.00 55.95 58.58 1oux s SER 74 Cb -0.43 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 1oux s SER 74 CO 0.48 -0.19 1.11 -0.62 0.41 0.00 0.00 173.24 174.43 1oux s ASP 75 N -2.57 7.26 0.19 2.44 2.15 -0.80 -4.77 116.67 120.57 1oux s ASP 75 Ca 0.50 2.12 0.08 0.00 0.43 0.00 0.00 52.55 55.68 1oux s ASP 75 Cb -0.11 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 1oux s ASP 75 CO 0.23 -0.22 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.20 1oux s LEU 76 N -0.48 3.13 0.01 -1.34 1.43 -1.26 -0.63 118.68 119.54 1oux s LEU 76 Ca 0.49 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1oux s LEU 76 Cb -0.30 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1oux s LEU 76 CO 0.36 0.09 -0.06 0.68 0.23 0.00 0.00 176.35 177.64 1oux s VAL 77 N -1.78 0.47 0.21 -1.59 -7.23 -0.51 -4.83 120.40 105.14 1oux s VAL 77 Ca 0.27 -0.49 -0.23 0.00 -1.81 0.00 0.00 61.98 59.72 1oux s VAL 77 Cb -0.09 -0.44 0.04 0.00 0.56 0.00 0.00 36.38 36.45 1oux s VAL 77 CO 0.17 -0.03 0.74 -0.94 -0.31 0.00 0.00 175.10 174.73 1oux s SER 78 N -0.57 -0.33 -0.05 4.85 1.04 -1.26 -0.45 113.70 116.94 1oux s SER 78 Ca -0.01 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1oux s SER 78 Cb -0.04 0.64 0.11 0.00 0.10 0.00 0.00 66.02 66.82 1oux s SER 78 CO -0.00 -1.14 0.97 0.00 0.98 0.00 0.00 173.24 174.06 1oux s ALA 79 N -3.72 -1.89 -0.06 5.32 0.00 -0.69 -4.91 121.76 115.82 1oux s ALA 79 Ca 0.08 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.24 1oux s ALA 79 Cb -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1oux s ALA 79 CO 0.00 -0.67 -0.23 -1.14 0.00 0.00 0.00 175.76 173.72 1oux s GLN 80 N -2.94 2.55 -0.05 0.00 0.74 -1.26 -0.47 119.66 118.23 1oux s GLN 80 Ca 0.06 -0.87 0.03 0.00 0.05 0.00 0.00 55.36 54.63 1oux s GLN 80 Cb -0.01 -2.21 0.01 0.00 1.10 0.00 0.00 33.01 31.90 1oux s GLN 80 CO -0.08 0.42 -0.12 0.08 -0.55 0.00 0.00 175.29 175.05 1oux s VAL 81 N -0.25 1.07 -0.11 1.34 1.01 0.38 -4.98 120.40 118.85 1oux s VAL 81 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1oux s VAL 81 Cb -0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1oux s VAL 81 CO 0.03 0.33 -0.21 -0.63 0.00 0.00 0.00 175.10 174.62 1oux s ILE 82 N 0.45 2.36 -0.06 2.22 1.01 -1.26 -0.98 121.20 124.94 1oux s ILE 82 Ca -0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 1oux s ILE 82 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1oux s ILE 82 CO 0.02 0.55 -0.01 -0.76 0.00 0.00 0.00 174.94 174.74 1oux s LEU 83 N 0.38 3.47 -1.35 2.97 1.43 -0.31 -4.54 118.68 120.72 1oux s LEU 83 Ca -0.16 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1oux s LEU 83 Cb -0.17 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.35 1oux s LEU 83 CO 0.07 0.35 0.47 1.07 0.23 0.00 0.00 176.35 178.53 1oux n THR 84 N 1.93 -0.24 -2.44 5.49 5.66 -1.26 -0.84 114.28 122.59 1oux n THR 84 Ca -0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.73 1oux n THR 84 Cb 0.53 -0.68 -0.01 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.23 -3.27 0.00 1.09 5.15 -1.26 -4.69 115.26 110.05 1oux n ASN 85 Ca 0.07 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1oux n ASN 85 Cb 0.48 -2.81 0.00 0.00 -0.53 0.00 0.00 39.78 36.91 1oux n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1oux n GLU 86 N -2.72 0.00 -3.37 1.20 -0.58 -0.02 -5.08 120.64 110.07 1oux n GLU 86 Ca -0.11 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.24 1oux n GLU 86 Cb 0.58 -0.42 -0.09 0.00 -0.57 0.00 0.00 31.44 30.95 1oux n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1oux s LEU 87 N -2.65 4.06 -0.09 -4.62 2.96 -0.87 -4.38 118.68 113.10 1oux s LEU 87 Ca 0.00 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1oux s LEU 87 Cb 0.00 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 1oux s LEU 87 CO 0.00 -0.17 -0.03 0.20 -1.32 0.00 0.00 176.35 175.03 1oux s ASN 88 N 1.49 4.96 -0.09 3.68 -0.87 0.14 -1.16 114.94 123.09 1oux s ASN 88 Ca 0.17 0.05 0.01 0.00 -1.57 0.00 0.00 52.86 51.52 1oux s ASN 88 Cb -0.15 -1.39 0.02 0.00 -0.02 0.00 0.00 41.25 39.71 1oux s ASN 88 CO 0.09 0.35 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.50 1oux s PHE 89 N -0.72 1.57 -0.29 2.20 0.40 -0.15 -2.40 117.98 118.60 1oux s PHE 89 Ca 0.11 -0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1oux s PHE 89 Cb -0.11 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1oux s PHE 89 CO 0.02 -0.39 0.01 0.00 0.70 0.00 0.00 175.22 175.55 1oux s ALA 90 N 1.06 2.85 -0.10 5.36 0.00 0.41 -0.47 121.76 130.87 1oux s ALA 90 Ca -0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1oux s ALA 90 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1oux s ALA 90 CO -0.01 -1.04 -0.07 -0.51 0.00 0.00 0.00 175.76 174.12 1oux s LEU 91 N 1.35 3.12 -0.01 0.00 1.43 0.38 -0.86 118.68 124.09 1oux s LEU 91 Ca -0.01 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1oux s LEU 91 Cb -0.18 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1oux s LEU 91 CO -0.01 0.28 -0.10 -0.69 0.23 0.00 0.00 176.35 176.06 1oux s VAL 92 N -0.31 0.82 0.13 -1.59 1.01 -0.42 -1.70 120.40 118.34 1oux s VAL 92 Ca 0.04 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1oux s VAL 92 Cb -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1oux s VAL 92 CO 0.02 0.24 -0.21 -0.83 0.00 0.00 0.00 175.10 174.32 1oux s GLY 93 N -0.10 1.36 -0.00 4.51 0.00 0.41 -1.38 107.32 112.11 1oux s GLY 93 Ca 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1oux s GLY 93 CO -0.00 -1.38 0.04 -1.35 0.00 0.00 0.00 173.10 170.40 1oux s SER 94 N -2.19 0.05 -0.18 1.64 1.04 -0.96 -1.43 113.70 111.67 1oux s SER 94 Ca 0.11 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1oux s SER 94 Cb -0.09 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1oux s SER 94 CO 0.05 -0.15 -0.19 -0.70 0.98 0.00 0.00 173.24 173.23 1oux s GLU 95 N -0.61 2.92 0.00 4.02 2.56 0.19 -2.70 118.70 125.08 1oux s GLU 95 Ca -0.07 -0.82 0.21 0.00 0.00 0.00 0.00 54.97 54.30 1oux s GLU 95 Cb -0.04 -2.54 0.11 0.00 2.00 0.00 0.00 34.13 33.66 1oux s GLU 95 CO -0.00 -0.22 1.13 -0.40 -0.56 0.00 0.00 175.26 175.21 1oux n ASP 96 N 4.63 2.51 0.00 -1.70 5.68 -1.26 -1.90 116.55 124.51 1oux n ASP 96 Ca -0.21 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1oux n ASP 96 Cb 0.50 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 1.26 5.45 0.00 6.12 0.00 -1.26 -5.04 105.19 111.72 1oux n GLY 97 Ca 0.11 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 1.08 2.61 -2.24 -1.26 -4.68 114.28 109.79 1oux n THR 98 Ca 0.00 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1oux n THR 98 Cb 0.00 0.98 0.56 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.94 0.00 -4.06 3.42 5.75 -1.26 -4.91 116.55 114.55 1oux n ASP 99 Ca 0.00 -0.15 -0.28 0.00 -0.01 0.00 0.00 54.79 54.34 1oux n ASP 99 Cb 0.00 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 39.82 1oux n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1oux n ASN 100 N -1.23 -0.35 0.02 -1.12 3.02 -1.26 -4.85 115.26 109.49 1oux n ASN 100 Ca 0.11 -1.11 0.11 0.00 -0.03 0.00 0.00 54.58 53.67 1oux n ASN 100 Cb 0.15 -2.54 -0.01 0.00 -0.61 0.00 0.00 39.78 36.77 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 -2.90 0.59 -2.73 6.41 5.75 -1.26 -4.98 116.55 117.44 1oux n ASP 101 Ca -0.30 -0.22 -0.16 0.00 -0.01 0.00 0.00 54.79 54.10 1oux n ASP 101 Cb 0.68 0.91 -0.00 0.00 -1.03 0.00 0.00 41.12 41.67 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 -1.99 -1.56 -0.02 2.11 4.01 -1.26 -4.82 117.16 113.63 1oux n TYR 102 Ca 0.01 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1oux n TYR 102 Cb 0.45 -2.87 0.00 0.00 -0.31 0.00 0.00 39.34 36.60 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 -1.97 0.97 -0.36 7.72 0.23 -1.18 -2.41 115.26 118.25 1oux n ASN 103 Ca -0.11 -0.99 0.26 0.00 -0.53 0.00 0.00 54.58 53.21 1oux n ASN 103 Cb 0.59 0.01 0.52 0.00 -2.08 0.00 0.00 39.78 38.82 1oux n ASN 103 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1oux h ASP 104 N 0.00 0.45 -2.74 0.53 3.32 -1.61 -3.15 116.42 113.22 1oux h ASP 104 Ca 0.00 0.13 -0.25 0.00 0.02 0.00 0.00 57.03 56.93 1oux h ASP 104 Cb 0.01 0.08 -0.34 0.00 0.22 0.00 0.00 39.33 39.30 1oux h ASP 104 CO 0.00 -0.04 -0.57 0.00 -1.72 0.00 0.00 179.24 176.91 1oux s ALA 105 N -5.53 -0.44 -0.15 3.45 0.00 -1.25 -1.48 121.76 116.36 1oux s ALA 105 Ca -0.09 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1oux s ALA 105 Cb 0.28 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1oux s ALA 105 CO 0.80 -0.84 -0.11 0.08 0.00 0.00 0.00 175.76 175.70 1oux s VAL 106 N 2.38 3.15 -0.11 0.00 1.01 -0.07 -2.27 120.40 124.48 1oux s VAL 106 Ca 0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1oux s VAL 106 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1oux s VAL 106 CO -0.10 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.58 1oux s VAL 107 N 0.60 2.06 -0.20 2.92 1.01 -0.48 -0.10 120.40 126.22 1oux s VAL 107 Ca -0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 1oux s VAL 107 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1oux s VAL 107 CO 0.03 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.85 1oux s VAL 108 N 0.46 2.43 -0.13 2.92 1.01 0.10 -1.30 120.40 125.89 1oux s VAL 108 Ca -0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1oux s VAL 108 Cb -0.17 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1oux s VAL 108 CO 0.06 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1oux s ILE 109 N 1.33 3.79 0.02 2.22 1.01 -0.04 -1.04 121.20 128.49 1oux s ILE 109 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1oux s ILE 109 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1oux s ILE 109 CO -0.10 0.53 -0.04 0.54 0.00 0.00 0.00 174.94 175.87 1oux s ASN 110 N 0.04 0.43 0.06 3.58 4.22 -0.68 -0.44 114.94 122.15 1oux s ASN 110 Ca -0.00 -0.39 -0.26 0.00 -2.14 0.00 0.00 52.86 50.06 1oux s ASN 110 Cb -0.14 0.05 0.09 0.00 1.28 0.00 0.00 41.25 42.53 1oux s ASN 110 CO 0.03 -0.19 0.77 -1.66 -2.04 0.00 0.00 177.10 174.01 1oux s TRP 111 N -1.07 -0.44 0.77 1.54 -2.14 -1.01 -0.82 118.94 115.78 1oux s TRP 111 Ca -0.10 0.30 -0.12 0.00 2.66 0.00 0.00 56.10 58.84 1oux s TRP 111 Cb -0.08 0.54 0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1oux s TRP 111 CO -0.00 -0.67 1.12 -1.25 -2.66 0.00 0.00 176.95 173.49 1oux s PRO 112 N -3.28 2.30 0.52 3.25 0.04 -1.26 -0.68 135.00 135.89 1oux s PRO 112 Ca 0.03 0.39 0.07 0.00 0.04 0.00 0.00 61.00 61.53 1oux s PRO 112 Cb -0.01 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1oux s PRO 112 CO -0.10 -1.41 0.51 -0.51 0.04 0.00 0.00 177.00 175.53 1oux s LEU 113 N -5.57 2.97 0.00 -3.56 1.43 -1.26 -4.97 118.68 107.72 1oux s LEU 113 Ca 0.60 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1oux s LEU 113 Cb -0.12 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1oux s LEU 113 CO 0.52 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.63