#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 2.04 0.05 0.00 2.01 -1.26 -5.02 115.64 113.46 1oux s THR 2 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1oux s THR 2 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1oux s THR 2 CO 0.00 0.01 -0.04 -1.10 -0.69 0.00 0.00 174.62 172.80 1oux s GLN 3 N -2.19 0.53 0.00 4.92 -1.52 -1.26 -4.86 119.66 115.28 1oux s GLN 3 Ca 0.55 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.97 1oux s GLN 3 Cb -0.46 0.07 0.00 0.00 -0.22 0.00 0.00 33.01 32.40 1oux s GLN 3 CO 0.62 -0.06 0.00 0.41 -0.25 0.00 0.00 175.29 176.01 1oux n GLY 4 N 0.72 0.63 3.37 3.09 0.00 -1.26 -4.90 105.19 106.84 1oux n GLY 4 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.48 3.26 -0.02 1.61 1.01 -1.26 -0.41 120.40 122.11 1oux s VAL 5 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1oux s VAL 5 Cb 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1oux s VAL 5 CO 0.00 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.13 1oux s PHE 6 N 0.63 1.01 -0.53 5.22 0.08 0.24 -5.00 117.98 119.64 1oux s PHE 6 Ca -0.05 -0.22 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 1oux s PHE 6 Cb -0.15 -0.68 0.12 0.00 -0.57 0.00 0.00 43.02 41.73 1oux s PHE 6 CO 0.03 -0.06 0.48 0.99 -0.10 0.00 0.00 175.22 176.56 1oux s THR 7 N -0.06 5.20 0.53 0.64 2.01 -1.26 -0.83 115.64 121.87 1oux s THR 7 Ca 0.01 -1.37 0.02 0.00 0.31 0.00 0.00 61.69 60.65 1oux s THR 7 Cb -0.06 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 68.18 1oux s THR 7 CO 0.00 -0.81 0.75 -0.76 -0.69 0.00 0.00 174.62 173.11 1oux s LEU 8 N 1.65 3.34 0.77 4.42 1.02 0.02 -4.98 118.68 124.92 1oux s LEU 8 Ca 0.04 0.00 -0.14 0.00 0.02 0.00 0.00 54.13 54.05 1oux s LEU 8 Cb -0.28 -2.89 0.06 0.00 0.02 0.00 0.00 46.19 43.10 1oux s LEU 8 CO 0.04 -1.07 1.19 -2.84 0.02 0.00 0.00 176.35 173.69 1oux s PRO 9 N -4.71 1.91 0.51 1.29 0.02 -1.26 -4.39 135.00 128.37 1oux s PRO 9 Ca 0.56 1.69 -0.19 0.00 0.02 0.00 0.00 61.00 63.08 1oux s PRO 9 Cb -0.10 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 1oux s PRO 9 CO 0.38 -1.99 1.02 0.00 -0.33 0.00 0.00 177.00 176.08 1oux s ALA 10 N -2.16 2.89 -1.65 -1.55 0.00 -1.26 -3.89 121.76 114.14 1oux s ALA 10 Ca 0.72 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 1oux s ALA 10 Cb -0.27 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 19.76 1oux s ALA 10 CO 0.48 -0.35 0.71 -1.71 0.00 0.00 0.00 175.76 174.89 1oux n ASN 11 N -1.24 -2.70 -4.38 0.00 4.05 -0.10 -4.94 115.26 105.94 1oux n ASN 11 Ca 0.08 -1.02 -0.31 0.00 0.45 0.00 0.00 54.58 53.79 1oux n ASN 11 Cb 0.53 -2.78 -0.15 0.00 1.23 0.00 0.00 39.78 38.61 1oux n ASN 11 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1oux s THR 12 N -3.43 2.42 0.27 -0.44 2.01 -1.25 -4.86 115.64 110.35 1oux s THR 12 Ca 0.60 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 1oux s THR 12 Cb -0.32 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 1oux s THR 12 CO 0.92 0.51 0.92 -0.13 -0.69 0.00 0.00 174.62 176.14 1oux s ARG 13 N -0.88 4.68 0.08 4.92 0.52 -1.26 -1.06 118.95 125.95 1oux s ARG 13 Ca 0.11 1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 56.60 1oux s ARG 13 Cb -0.10 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 1oux s ARG 13 CO 0.01 0.41 0.17 -0.59 0.02 0.00 0.00 175.30 175.32 1oux s PHE 14 N -1.38 0.19 -0.04 -0.53 -0.71 -0.24 -4.28 117.98 110.98 1oux s PHE 14 Ca 0.45 -0.62 -0.01 0.00 -1.04 0.00 0.00 56.93 55.70 1oux s PHE 14 Cb -0.22 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 1oux s PHE 14 CO 0.27 -0.52 0.03 0.20 -1.34 0.00 0.00 175.22 173.86 1oux s GLY 15 N -2.84 1.92 -0.11 1.99 0.00 -0.49 -0.99 107.32 106.79 1oux s GLY 15 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1oux s GLY 15 CO -0.11 -0.68 -0.12 0.54 0.00 0.00 0.00 173.10 172.73 1oux s VAL 16 N -1.03 1.29 -0.02 1.40 0.11 -0.27 -1.49 120.40 120.38 1oux s VAL 16 Ca 0.18 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1oux s VAL 16 Cb -0.12 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 1oux s VAL 16 CO 0.08 0.40 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.23 1oux s THR 17 N 1.32 1.10 -0.03 5.04 2.01 -0.05 -1.65 115.64 123.38 1oux s THR 17 Ca -0.01 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.48 1oux s THR 17 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1oux s THR 17 CO -0.05 0.32 -0.20 0.00 -0.69 0.00 0.00 174.62 173.99 1oux s ALA 18 N -0.10 1.75 0.10 7.40 0.00 -0.18 -0.42 121.76 130.31 1oux s ALA 18 Ca 0.01 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1oux s ALA 18 Cb -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1oux s ALA 18 CO 0.00 0.37 -0.24 -0.06 0.00 0.00 0.00 175.76 175.84 1oux s PHE 19 N -0.23 2.40 -0.02 0.00 0.08 0.94 -0.45 117.98 120.69 1oux s PHE 19 Ca 0.01 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.80 1oux s PHE 19 Cb -0.10 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1oux s PHE 19 CO 0.01 0.31 -0.25 0.00 -0.10 0.00 0.00 175.22 175.20 1oux s ALA 20 N -1.03 2.05 -0.41 5.36 0.00 -0.78 -0.61 121.76 126.34 1oux s ALA 20 Ca 0.15 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1oux s ALA 20 Cb -0.10 -0.52 0.25 0.00 0.00 0.00 0.00 23.12 22.75 1oux s ALA 20 CO 0.06 0.50 0.59 0.09 0.00 0.00 0.00 175.76 177.01 1oux n ASN 21 N 2.43 -0.51 -3.51 0.00 3.02 -0.41 -1.69 115.26 114.59 1oux n ASN 21 Ca -0.16 -2.81 -0.11 0.00 -0.03 0.00 0.00 54.58 51.47 1oux n ASN 21 Cb 0.52 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.24 -0.44 0.46 6.41 0.15 0.62 -3.85 113.70 115.81 1oux s SER 22 Ca 0.34 0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.46 1oux s SER 22 Cb 0.18 0.42 0.71 0.00 -1.71 0.00 0.00 66.02 65.62 1oux s SER 22 CO -0.14 -0.61 1.74 0.77 1.20 0.00 0.00 173.24 176.20 1oux h SER 23 N 2.27 0.00 -3.38 5.45 4.64 -1.96 -3.34 113.55 117.23 1oux h SER 23 Ca -0.24 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.53 1oux h SER 23 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1oux h SER 23 CO 0.33 0.00 -0.06 -0.83 -0.87 0.00 0.00 176.83 175.40 1oux s GLY 24 N -4.14 2.44 -0.03 -0.77 0.00 -1.26 -4.96 107.32 98.60 1oux s GLY 24 Ca 0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 1oux s GLY 24 CO 0.62 0.15 1.24 -1.59 0.00 0.00 0.00 173.10 173.52 1oux s THR 25 N -1.54 4.13 -0.02 0.90 2.01 -1.26 -4.73 115.64 115.13 1oux s THR 25 Ca 0.40 1.48 -0.17 0.00 0.31 0.00 0.00 61.69 63.71 1oux s THR 25 Cb -0.14 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1oux s THR 25 CO 0.20 0.01 0.47 -1.10 -0.69 0.00 0.00 174.62 173.51 1oux s GLN 26 N 2.15 4.14 -0.26 4.92 -1.52 0.11 -4.34 119.66 124.84 1oux s GLN 26 Ca 0.58 0.51 0.03 0.00 -1.95 0.00 0.00 55.36 54.53 1oux s GLN 26 Cb -0.26 -3.30 0.06 0.00 -0.22 0.00 0.00 33.01 29.29 1oux s GLN 26 CO 0.23 0.49 -0.10 0.99 -0.25 0.00 0.00 175.29 176.65 1oux s THR 27 N -0.48 2.18 -0.31 -0.19 2.01 -0.48 -1.59 115.64 116.77 1oux s THR 27 Ca 0.26 -1.68 -0.10 0.00 0.31 0.00 0.00 61.69 60.48 1oux s THR 27 Cb -0.17 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 1oux s THR 27 CO 0.14 -0.06 0.17 -0.69 -0.69 0.00 0.00 174.62 173.48 1oux s VAL 28 N 1.09 4.76 -0.18 3.82 1.01 0.12 -1.62 120.40 129.40 1oux s VAL 28 Ca -0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1oux s VAL 28 Cb -0.20 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1oux s VAL 28 CO -0.05 0.08 0.05 0.20 0.00 0.00 0.00 175.10 175.38 1oux s ASN 29 N 1.64 5.55 -0.24 3.32 0.02 0.53 -0.58 114.94 125.19 1oux s ASN 29 Ca 0.05 0.06 -0.01 0.00 -1.02 0.00 0.00 52.86 51.94 1oux s ASN 29 Cb -0.17 -1.95 0.03 0.00 0.02 0.00 0.00 41.25 39.18 1oux s ASN 29 CO 0.07 0.17 -0.09 -0.69 0.02 0.00 0.00 177.10 176.58 1oux s VAL 30 N 0.40 2.70 -0.10 1.60 1.01 0.05 -0.93 120.40 125.13 1oux s VAL 30 Ca 0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1oux s VAL 30 Cb -0.13 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1oux s VAL 30 CO 0.01 0.23 0.07 -0.76 0.00 0.00 0.00 175.10 174.65 1oux s LEU 31 N 1.30 3.99 -0.07 3.92 1.02 0.98 -0.37 118.68 129.46 1oux s LEU 31 Ca 0.00 0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.48 1oux s LEU 31 Cb -0.16 -1.97 0.01 0.00 0.02 0.00 0.00 46.19 44.09 1oux s LEU 31 CO -0.06 0.39 -0.12 -0.69 0.02 0.00 0.00 176.35 175.89 1oux s VAL 32 N -0.97 1.16 -1.46 -1.59 1.01 0.20 -1.06 120.40 117.70 1oux s VAL 32 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1oux s VAL 32 Cb -0.12 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1oux s VAL 32 CO 0.04 0.36 0.82 -3.20 0.00 0.00 0.00 175.10 173.12 1oux n ASN 33 N 3.87 -3.07 -2.28 3.32 5.15 -1.08 -1.85 115.26 119.31 1oux n ASN 33 Ca -0.22 -0.83 -0.20 0.00 -0.60 0.00 0.00 54.58 52.72 1oux n ASN 33 Cb 0.52 -3.79 -0.02 0.00 -0.53 0.00 0.00 39.78 35.95 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 -2.91 -5.75 -3.86 1.20 3.02 -1.26 -4.99 115.26 100.70 1oux n ASN 34 Ca -0.10 0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 1oux n ASN 34 Cb 0.59 -4.83 -0.15 0.00 -0.61 0.00 0.00 39.78 34.78 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 -4.85 0.23 0.05 3.52 8.01 -0.77 -5.10 118.70 119.78 1oux s GLU 35 Ca 0.00 0.00 -0.32 0.00 0.01 0.00 0.00 54.97 54.66 1oux s GLU 35 Cb 0.00 -0.33 -0.11 0.00 -4.31 0.00 0.00 34.13 29.38 1oux s GLU 35 CO 0.00 -0.05 1.85 2.41 0.01 0.00 0.00 175.26 179.48 1oux n THR 36 N 3.61 0.48 -0.02 3.63 -1.04 -1.26 -0.63 114.28 119.05 1oux n THR 36 Ca -0.20 -0.09 0.04 0.00 -2.04 0.00 0.00 64.05 61.76 1oux n THR 36 Cb 0.54 -2.03 -0.10 0.00 -1.82 0.00 0.00 70.33 66.93 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 6.09 2.30 -3.46 2.41 0.00 0.50 -4.86 120.51 123.49 1oux n ALA 37 Ca 0.20 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1oux n ALA 37 Cb 0.35 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.75 -1.55 -0.05 0.00 0.00 -0.98 -5.02 121.76 111.42 1oux s ALA 38 Ca -0.05 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1oux s ALA 38 Cb 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1oux s ALA 38 CO 0.52 -0.34 0.09 0.99 0.00 0.00 0.00 175.76 177.02 1oux s THR 39 N -1.12 -0.14 -0.12 0.00 2.01 -1.26 -0.77 115.64 114.24 1oux s THR 39 Ca -0.11 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1oux s THR 39 Cb -0.01 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1oux s THR 39 CO 0.08 0.14 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.71 1oux s PHE 40 N 1.91 2.91 -0.07 4.92 0.08 0.25 -4.94 117.98 123.05 1oux s PHE 40 Ca 0.00 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.75 1oux s PHE 40 Cb -0.12 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 1oux s PHE 40 CO -0.04 0.01 -0.13 -1.12 -0.10 0.00 0.00 175.22 173.83 1oux s SER 41 N 0.01 1.89 0.01 1.36 0.01 -1.26 0.15 113.70 115.88 1oux s SER 41 Ca -0.02 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1oux s SER 41 Cb -0.14 -0.87 0.11 0.00 0.21 0.00 0.00 66.02 65.33 1oux s SER 41 CO 0.03 0.05 1.23 -0.83 0.41 0.00 0.00 173.24 174.13 1oux s GLY 42 N 0.63 -0.38 -0.00 3.44 0.00 -0.62 -4.94 107.32 105.43 1oux s GLY 42 Ca -0.15 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1oux s GLY 42 CO 0.04 0.10 -0.01 1.62 0.00 0.00 0.00 173.10 174.85 1oux s GLN 43 N -2.57 0.14 -0.23 2.90 -0.44 -1.26 0.04 119.66 118.24 1oux s GLN 43 Ca 0.14 -0.04 -0.28 0.00 -2.50 0.00 0.00 55.36 52.68 1oux s GLN 43 Cb 0.04 -0.16 0.14 0.00 -1.64 0.00 0.00 33.01 31.39 1oux s GLN 43 CO -0.03 0.02 1.09 0.45 0.50 0.00 0.00 175.29 177.32 1oux s SER 44 N 0.07 -0.33 -0.16 6.67 0.15 -1.25 -5.00 113.70 113.85 1oux s SER 44 Ca -0.00 0.48 0.14 0.00 0.70 0.00 0.00 55.95 57.27 1oux s SER 44 Cb -0.02 0.43 0.38 0.00 -1.71 0.00 0.00 66.02 65.10 1oux s SER 44 CO -0.00 -0.21 1.19 0.35 1.20 0.00 0.00 173.24 175.76 1oux n THR 45 N 1.27 1.83 -2.45 6.45 -2.24 -1.26 -0.28 114.28 117.60 1oux n THR 45 Ca -0.10 -2.68 0.02 0.00 -2.27 0.00 0.00 64.05 59.02 1oux n THR 45 Cb 0.57 -0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.99 0.67 -1.83 3.42 5.15 -1.25 -4.87 115.26 115.56 1oux n ASN 46 Ca 0.16 -2.01 -0.20 0.00 -0.60 0.00 0.00 54.58 51.94 1oux n ASN 46 Cb 0.73 -0.20 -0.05 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.28 -5.47 -4.76 1.20 5.15 -0.68 -4.96 115.26 106.01 1oux n ASN 47 Ca -0.00 0.26 -0.37 0.00 -0.60 0.00 0.00 54.58 53.87 1oux n ASN 47 Cb 1.04 -4.61 0.01 0.00 -0.53 0.00 0.00 39.78 35.68 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 -2.84 2.88 0.14 5.20 0.00 -1.23 -4.51 121.76 121.40 1oux s ALA 48 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 1oux s ALA 48 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1oux s ALA 48 CO 0.00 -0.87 1.28 0.08 0.00 0.00 0.00 175.76 176.26 1oux s VAL 49 N -1.51 3.51 -1.54 0.00 1.01 -1.26 -1.87 120.40 118.73 1oux s VAL 49 Ca 0.67 1.16 0.13 0.00 0.00 0.00 0.00 61.98 63.93 1oux s VAL 49 Cb -0.31 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.45 1oux s VAL 49 CO 0.37 0.13 0.93 2.30 0.00 0.00 0.00 175.10 178.83 1oux n ILE 50 N 3.30 0.08 0.00 2.22 -5.35 0.40 -4.94 119.36 115.06 1oux n ILE 50 Ca 0.08 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1oux n ILE 50 Cb 0.44 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 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 0.71 2.05 3.53 3.28 0.00 -1.22 -4.31 105.19 109.23 1oux n GLY 51 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.57 -0.01 0.18 2.61 -1.32 -1.26 -1.02 115.64 113.26 1oux s THR 52 Ca 0.00 0.03 -0.18 0.00 -1.21 0.00 0.00 61.69 60.33 1oux s THR 52 Cb 0.00 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1oux s THR 52 CO 0.00 0.01 0.51 -1.58 -2.21 0.00 0.00 174.62 171.35 1oux s GLN 53 N 1.51 1.31 -0.18 7.08 0.74 -0.66 -5.00 119.66 124.46 1oux s GLN 53 Ca -0.09 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.49 1oux s GLN 53 Cb -0.06 0.52 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 1oux s GLN 53 CO -0.17 -0.55 -0.00 0.08 -0.55 0.00 0.00 175.29 174.09 1oux s VAL 54 N -3.84 4.08 0.36 1.34 1.01 -1.26 -1.11 120.40 120.98 1oux s VAL 54 Ca 0.07 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1oux s VAL 54 Cb -0.01 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1oux s VAL 54 CO -0.06 0.46 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1oux s LEU 55 N 0.61 2.19 -0.11 3.92 1.43 -0.16 -4.96 118.68 121.61 1oux s LEU 55 Ca -0.01 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 1oux s LEU 55 Cb -0.14 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1oux s LEU 55 CO 0.02 -0.69 -0.10 0.21 0.23 0.00 0.00 176.35 176.02 1oux s ASN 56 N -3.56 4.31 0.00 2.29 3.84 -1.26 -1.08 114.94 119.48 1oux s ASN 56 Ca 0.31 -0.20 0.14 0.00 0.21 0.00 0.00 52.86 53.33 1oux s ASN 56 Cb 0.07 -1.40 0.86 0.00 -0.55 0.00 0.00 41.25 40.23 1oux s ASN 56 CO 0.15 0.24 1.28 -1.54 -2.79 0.00 0.00 177.10 174.44 1oux n SER 57 N 3.01 0.00 -0.71 -4.21 3.41 -0.23 -4.91 113.62 109.98 1oux n SER 57 Ca -0.18 -0.53 0.09 0.00 -0.26 0.00 0.00 58.87 57.99 1oux n SER 57 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.02 -1.85 0.26 5.00 0.00 -1.26 -2.16 105.19 105.17 1oux n GLY 58 Ca 0.11 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.66 0.00 0.27 1.61 4.64 -1.95 -0.19 113.55 117.27 1oux h SER 59 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1oux h SER 59 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1oux h SER 59 CO 0.01 0.02 -1.78 -1.54 -0.87 0.00 0.00 176.83 172.67 1oux n SER 60 N -4.49 0.26 0.00 4.97 3.41 -1.26 -4.74 113.62 111.77 1oux n SER 60 Ca -0.03 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1oux n SER 60 Cb 0.11 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1oux n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oux n GLY 61 N 1.31 1.44 3.67 5.00 0.00 -0.92 -4.70 105.19 111.00 1oux n GLY 61 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.31 4.23 -0.08 1.61 2.20 -1.25 -0.80 119.74 125.33 1oux s LYS 62 Ca 0.00 2.01 0.02 0.00 -0.36 0.00 0.00 55.97 57.64 1oux s LYS 62 Cb 0.00 -3.77 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1oux s LYS 62 CO 0.00 -0.71 -0.15 0.08 -0.36 0.00 0.00 175.35 174.21 1oux s VAL 63 N 3.24 1.40 -0.05 4.02 1.01 -0.01 -2.65 120.40 127.36 1oux s VAL 63 Ca 0.66 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1oux s VAL 63 Cb -0.31 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1oux s VAL 63 CO 0.26 0.42 -0.15 -1.58 0.00 0.00 0.00 175.10 174.04 1oux s GLN 64 N 0.73 1.69 -0.15 2.72 0.74 -0.22 -0.59 119.66 124.57 1oux s GLN 64 Ca -0.13 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.72 1oux s GLN 64 Cb -0.16 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 1oux s GLN 64 CO 0.03 0.16 0.00 0.08 -0.55 0.00 0.00 175.29 175.01 1oux s VAL 65 N 0.24 4.28 -0.02 1.34 1.01 0.45 -0.01 120.40 127.70 1oux s VAL 65 Ca -0.07 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1oux s VAL 65 Cb -0.12 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1oux s VAL 65 CO 0.03 0.51 -0.08 -1.10 0.00 0.00 0.00 175.10 174.45 1oux s GLN 66 N 0.08 0.80 -0.03 2.72 -0.21 -0.10 -4.72 119.66 118.20 1oux s GLN 66 Ca 0.02 -0.29 0.05 0.00 0.02 0.00 0.00 55.36 55.16 1oux s GLN 66 Cb -0.13 -0.77 -0.01 0.00 1.00 0.00 0.00 33.01 33.11 1oux s GLN 66 CO 0.02 0.14 -0.18 0.08 -2.12 0.00 0.00 175.29 173.23 1oux s VAL 67 N 0.01 1.47 0.03 1.09 1.01 -1.26 -0.34 120.40 122.41 1oux s VAL 67 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1oux s VAL 67 Cb -0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1oux s VAL 67 CO -0.00 0.42 0.02 -0.94 0.00 0.00 0.00 175.10 174.60 1oux s SER 68 N -0.18 0.25 -0.29 3.32 1.04 -0.64 -0.10 113.70 117.10 1oux s SER 68 Ca 0.01 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 1oux s SER 68 Cb -0.10 0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.27 1oux s SER 68 CO 0.01 -0.41 0.07 -0.69 0.98 0.00 0.00 173.24 173.20 1oux s VAL 69 N -2.17 1.05 -1.08 5.02 1.01 0.08 -1.38 120.40 122.94 1oux s VAL 69 Ca -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1oux s VAL 69 Cb -0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1oux s VAL 69 CO -0.03 -0.57 0.92 0.59 0.00 0.00 0.00 175.10 176.01 1oux n ASN 70 N 4.79 -3.71 0.00 3.32 3.02 -1.26 -2.93 115.26 118.49 1oux n ASN 70 Ca -0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1oux n ASN 70 Cb 0.43 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 1oux n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oux n GLY 71 N -1.17 1.71 3.67 7.41 0.00 -1.26 -4.98 105.19 110.57 1oux n GLY 71 Ca -0.19 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 4.24 0.03 1.61 3.03 -1.15 -4.98 118.95 121.74 1oux s ARG 72 Ca 0.00 1.92 -0.30 0.00 2.03 0.00 0.00 55.73 59.37 1oux s ARG 72 Cb 0.00 -3.75 -0.06 0.00 -1.03 0.00 0.00 34.95 30.11 1oux s ARG 72 CO 0.00 -0.68 1.38 -2.14 -1.13 0.00 0.00 175.30 172.73 1oux s PRO 73 N 3.19 4.30 0.31 3.89 0.02 -1.26 -0.74 135.00 144.72 1oux s PRO 73 Ca 0.63 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 63.38 1oux s PRO 73 Cb -0.28 -3.48 -0.10 0.00 0.02 0.00 0.00 34.50 30.66 1oux s PRO 73 CO 0.23 -0.52 0.90 -1.12 -0.33 0.00 0.00 177.00 176.17 1oux s SER 74 N 1.63 7.26 0.21 2.53 0.01 0.86 -4.95 113.70 121.26 1oux s SER 74 Ca 0.64 1.75 -0.30 0.00 1.31 0.00 0.00 55.95 59.34 1oux s SER 74 Cb -0.33 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.27 1oux s SER 74 CO 0.28 -0.07 1.17 -0.62 0.41 0.00 0.00 173.24 174.41 1oux s ASP 75 N -1.67 7.13 0.12 2.44 2.15 -0.96 -4.71 116.67 121.17 1oux s ASP 75 Ca 0.50 2.25 0.05 0.00 0.43 0.00 0.00 52.55 55.79 1oux s ASP 75 Cb -0.17 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 1oux s ASP 75 CO 0.22 -0.31 0.02 -0.76 -0.17 0.00 0.00 175.17 174.17 1oux s LEU 76 N -0.61 3.47 0.00 -1.34 1.43 -1.26 -1.16 118.68 119.22 1oux s LEU 76 Ca 0.50 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1oux s LEU 76 Cb -0.33 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1oux s LEU 76 CO 0.38 0.14 -0.07 0.54 0.23 0.00 0.00 176.35 177.58 1oux s VAL 77 N -1.45 0.52 0.27 -1.59 0.11 -0.31 -4.86 120.40 113.08 1oux s VAL 77 Ca 0.27 -0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 58.70 1oux s VAL 77 Cb -0.11 -0.46 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1oux s VAL 77 CO 0.19 0.05 0.83 -0.94 -3.33 0.00 0.00 175.10 171.91 1oux s SER 78 N -0.40 -0.14 -0.24 3.54 1.04 -1.26 -0.29 113.70 115.96 1oux s SER 78 Ca 0.00 -0.72 -0.37 0.00 0.48 0.00 0.00 55.95 55.35 1oux s SER 78 Cb -0.04 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.91 1oux s SER 78 CO -0.00 -1.30 1.29 0.00 0.98 0.00 0.00 173.24 174.21 1oux s ALA 79 N -3.12 -2.13 -0.04 5.32 0.00 -0.99 -4.94 121.76 115.86 1oux s ALA 79 Ca 0.14 1.75 0.06 0.00 0.00 0.00 0.00 51.96 53.91 1oux s ALA 79 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1oux s ALA 79 CO 0.07 -0.57 -0.21 -1.14 0.00 0.00 0.00 175.76 173.91 1oux s GLN 80 N -2.22 2.34 -0.02 0.00 0.74 -1.26 -0.97 119.66 118.26 1oux s GLN 80 Ca 0.10 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 54.72 1oux s GLN 80 Cb -0.01 -2.20 -0.01 0.00 1.10 0.00 0.00 33.01 31.90 1oux s GLN 80 CO -0.04 0.56 -0.15 0.08 -0.55 0.00 0.00 175.29 175.20 1oux s VAL 81 N -0.58 1.18 -0.13 1.34 1.01 0.77 -4.98 120.40 119.01 1oux s VAL 81 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1oux s VAL 81 Cb -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1oux s VAL 81 CO 0.00 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.66 1oux s ILE 82 N -0.14 1.59 -0.08 2.22 1.01 -1.26 -0.40 121.20 124.15 1oux s ILE 82 Ca 0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1oux s ILE 82 Cb -0.08 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1oux s ILE 82 CO 0.00 0.46 0.07 -0.76 0.00 0.00 0.00 174.94 174.72 1oux s LEU 83 N 1.24 3.97 -1.39 2.97 1.43 0.74 -4.46 118.68 123.19 1oux s LEU 83 Ca -0.00 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 1oux s LEU 83 Cb -0.14 -2.02 0.14 0.00 0.03 0.00 0.00 46.19 44.20 1oux s LEU 83 CO -0.07 0.37 0.53 1.07 0.23 0.00 0.00 176.35 178.48 1oux n THR 84 N 1.88 -0.54 -2.29 5.49 5.66 -1.26 -1.44 114.28 121.77 1oux n THR 84 Ca -0.18 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 1oux n THR 84 Cb 0.54 -1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.20 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 -2.31 -4.62 0.00 1.09 5.15 -1.26 -4.67 115.26 108.63 1oux n ASN 85 Ca 0.05 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 1oux n ASN 85 Cb 0.49 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 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 -2.77 0.00 -3.13 1.20 0.00 -0.52 -5.09 120.64 110.32 1oux n GLU 86 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.57 1oux n GLU 86 Cb 0.62 -0.13 -0.07 0.00 0.00 0.00 0.00 31.44 31.86 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 -1.99 4.09 -0.01 4.31 2.96 -0.60 -4.56 118.68 122.88 1oux s LEU 87 Ca 0.00 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1oux s LEU 87 Cb 0.00 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1oux s LEU 87 CO 0.00 -0.40 0.05 0.20 -1.32 0.00 0.00 176.35 174.88 1oux s ASN 88 N 1.54 5.45 -0.07 3.68 -0.87 -0.31 -0.18 114.94 124.17 1oux s ASN 88 Ca 0.25 0.09 -0.01 0.00 -1.57 0.00 0.00 52.86 51.63 1oux s ASN 88 Cb -0.15 -1.51 0.03 0.00 -0.02 0.00 0.00 41.25 39.59 1oux s ASN 88 CO 0.10 0.28 -0.01 -0.36 -2.57 0.00 0.00 177.10 174.54 1oux s PHE 89 N -1.13 0.76 -0.30 2.20 0.08 0.47 -2.62 117.98 117.44 1oux s PHE 89 Ca 0.21 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 1oux s PHE 89 Cb -0.12 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1oux s PHE 89 CO 0.12 -0.32 0.04 0.00 -0.10 0.00 0.00 175.22 174.95 1oux s ALA 90 N 1.74 2.92 -0.09 5.36 0.00 0.24 -0.16 121.76 131.76 1oux s ALA 90 Ca 0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1oux s ALA 90 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1oux s ALA 90 CO -0.05 -1.07 -0.04 -0.51 0.00 0.00 0.00 175.76 174.10 1oux s LEU 91 N 1.39 3.34 -0.03 0.00 1.43 -0.14 -0.63 118.68 124.03 1oux s LEU 91 Ca -0.01 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1oux s LEU 91 Cb -0.18 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1oux s LEU 91 CO 0.00 0.33 -0.06 -0.69 0.23 0.00 0.00 176.35 176.16 1oux s VAL 92 N -0.61 0.59 0.11 -1.59 1.01 0.20 -2.34 120.40 117.77 1oux s VAL 92 Ca 0.09 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 61.97 1oux s VAL 92 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1oux s VAL 92 CO 0.02 0.21 -0.27 -0.83 0.00 0.00 0.00 175.10 174.24 1oux s GLY 93 N 0.54 1.53 -0.01 4.51 0.00 0.60 -0.98 107.32 113.50 1oux s GLY 93 Ca -0.07 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 1oux s GLY 93 CO 0.00 -1.37 0.03 -1.35 0.00 0.00 0.00 173.10 170.41 1oux s SER 94 N -1.85 0.01 -0.27 1.64 1.04 -1.04 -1.16 113.70 112.06 1oux s SER 94 Ca 0.13 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1oux s SER 94 Cb -0.10 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1oux s SER 94 CO 0.05 -0.07 -0.08 -0.70 0.98 0.00 0.00 173.24 173.43 1oux s GLU 95 N -0.25 2.35 0.00 4.02 2.56 -0.31 -2.60 118.70 124.48 1oux s GLU 95 Ca -0.03 -1.29 0.27 0.00 0.00 0.00 0.00 54.97 53.92 1oux s GLU 95 Cb -0.02 -2.97 0.89 0.00 2.00 0.00 0.00 34.13 34.03 1oux s GLU 95 CO -0.00 -0.57 1.65 -0.40 -0.56 0.00 0.00 175.26 175.38 1oux n ASP 96 N 4.51 1.15 0.00 -1.70 5.68 -1.26 -2.26 116.55 122.66 1oux n ASP 96 Ca -0.14 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1oux n ASP 96 Cb 0.43 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 1.28 4.68 0.00 6.12 0.00 -1.26 -5.00 105.19 111.02 1oux n GLY 97 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.82 2.61 -2.24 -1.26 -4.71 114.28 109.50 1oux n THR 98 Ca 0.00 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1oux n THR 98 Cb 0.00 1.14 0.52 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.34 0.28 -3.90 3.42 5.75 -1.26 -4.95 116.55 115.55 1oux n ASP 99 Ca 0.00 0.53 -0.26 0.00 -0.01 0.00 0.00 54.79 55.05 1oux n ASP 99 Cb 0.04 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 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 -1.77 -1.37 -0.02 -1.12 3.02 -1.26 -4.88 115.26 107.85 1oux n ASN 100 Ca 0.06 -0.92 0.12 0.00 -0.03 0.00 0.00 54.58 53.80 1oux n ASN 100 Cb 0.35 -3.43 0.17 0.00 -0.61 0.00 0.00 39.78 36.26 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 -2.96 0.67 -3.23 6.41 5.68 -1.26 -4.96 116.55 116.90 1oux n ASP 101 Ca -0.23 -0.48 -0.20 0.00 -0.50 0.00 0.00 54.79 53.38 1oux n ASP 101 Cb 0.65 0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 41.04 1oux n ASP 101 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1oux n TYR 102 N -1.43 -1.70 -0.10 2.11 4.01 -1.26 -4.79 117.16 114.00 1oux n TYR 102 Ca 0.06 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1oux n TYR 102 Cb 0.34 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 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 -2.10 1.00 -0.34 7.72 0.23 -1.19 -2.77 115.26 117.81 1oux n ASN 103 Ca -0.01 -1.10 0.16 0.00 -0.53 0.00 0.00 54.58 53.09 1oux n ASN 103 Cb 0.53 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.62 -2.85 0.53 3.32 -1.60 -3.15 116.42 113.28 1oux h ASP 104 Ca 0.00 0.13 -0.33 0.00 0.02 0.00 0.00 57.03 56.86 1oux h ASP 104 Cb 0.11 0.04 -0.36 0.00 0.22 0.00 0.00 39.33 39.34 1oux h ASP 104 CO 0.00 0.11 -0.65 0.00 -1.72 0.00 0.00 179.24 176.98 1oux s ALA 105 N -5.82 -0.13 -0.17 3.45 0.00 -1.25 -1.29 121.76 116.55 1oux s ALA 105 Ca -0.11 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1oux s ALA 105 Cb 0.26 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1oux s ALA 105 CO 0.79 -0.92 -0.05 0.08 0.00 0.00 0.00 175.76 175.67 1oux s VAL 106 N 2.29 3.62 -0.09 0.00 1.01 0.22 -2.50 120.40 124.95 1oux s VAL 106 Ca 0.04 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1oux s VAL 106 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1oux s VAL 106 CO -0.09 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 1oux s VAL 107 N 0.70 1.86 -0.13 2.92 1.01 -0.15 -0.04 120.40 126.56 1oux s VAL 107 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1oux s VAL 107 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1oux s VAL 107 CO 0.02 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1oux s VAL 108 N 0.44 2.23 -0.13 2.92 1.01 0.43 -0.63 120.40 126.67 1oux s VAL 108 Ca -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1oux s VAL 108 Cb -0.17 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1oux s VAL 108 CO 0.07 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.95 1oux s ILE 109 N 0.66 2.96 0.05 2.22 1.01 0.20 -0.87 121.20 127.43 1oux s ILE 109 Ca -0.10 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1oux s ILE 109 Cb -0.16 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1oux s ILE 109 CO 0.02 0.53 -0.10 0.54 0.00 0.00 0.00 174.94 175.92 1oux s ASN 110 N 0.38 1.15 -0.00 3.58 4.22 -0.56 -0.59 114.94 123.12 1oux s ASN 110 Ca -0.11 -0.53 -0.28 0.00 -2.14 0.00 0.00 52.86 49.79 1oux s ASN 110 Cb -0.16 -0.01 0.10 0.00 1.28 0.00 0.00 41.25 42.46 1oux s ASN 110 CO 0.06 -0.13 0.84 -1.66 -2.04 0.00 0.00 177.10 174.17 1oux s TRP 111 N -1.23 -0.40 0.89 1.54 -2.14 -1.08 -1.40 118.94 115.13 1oux s TRP 111 Ca -0.06 0.34 -0.12 0.00 2.66 0.00 0.00 56.10 58.93 1oux s TRP 111 Cb -0.09 0.52 0.13 0.00 -3.10 0.00 0.00 33.47 30.93 1oux s TRP 111 CO 0.01 -0.57 1.10 -1.25 -2.66 0.00 0.00 176.95 173.58 1oux s PRO 112 N -2.85 1.28 0.55 3.25 0.04 -1.26 -1.17 135.00 134.85 1oux s PRO 112 Ca 0.02 0.62 0.06 0.00 0.04 0.00 0.00 61.00 61.74 1oux s PRO 112 Cb -0.01 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.75 1oux s PRO 112 CO -0.07 -2.18 0.43 -0.51 0.04 0.00 0.00 177.00 174.72 1oux s LEU 113 N -6.12 2.69 0.00 -3.56 1.43 -1.26 -5.00 118.68 106.85 1oux s LEU 113 Ca 0.63 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1oux s LEU 113 Cb -0.17 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1oux s LEU 113 CO 0.56 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.60