#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swj h ILE 17 N 0.00 1.37 -3.31 -0.61 2.04 -2.00 -3.44 117.51 111.56 1swj h ILE 17 Ca 0.00 -1.82 -0.53 0.00 1.00 0.00 0.00 64.86 63.52 1swj h ILE 17 Cb 0.00 1.92 0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1swj h ILE 17 CO 0.00 0.53 0.59 -0.89 0.00 0.00 0.00 178.15 178.38 1swj s THR 18 N -3.87 3.66 -5.00 -0.27 2.01 -1.26 -4.80 115.64 106.10 1swj s THR 18 Ca -0.03 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1swj s THR 18 Cb 0.13 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1swj s THR 18 CO 0.78 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.47 1swj n GLY 19 N 2.72 0.31 3.48 4.40 0.00 -0.68 -5.01 105.19 110.40 1swj n GLY 19 Ca 0.07 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1swj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swj s THR 20 N -2.32 3.84 0.26 2.61 2.01 -1.26 -2.69 115.64 118.08 1swj s THR 20 Ca 0.00 -0.37 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1swj s THR 20 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1swj s THR 20 CO 0.00 0.49 -0.14 0.26 -0.69 0.00 0.00 174.62 174.54 1swj s TRP 21 N 0.44 2.05 0.03 4.92 0.52 0.15 -4.50 118.94 122.54 1swj s TRP 21 Ca -0.04 -0.51 -0.03 0.00 0.02 0.00 0.00 56.10 55.55 1swj s TRP 21 Cb -0.14 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1swj s TRP 21 CO 0.03 0.49 0.02 1.52 0.02 0.00 0.00 176.95 179.04 1swj s TYR 22 N -2.78 0.27 0.00 -1.98 1.13 0.06 -0.53 117.35 113.53 1swj s TYR 22 Ca 0.28 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1swj s TYR 22 Cb -0.01 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 1swj s TYR 22 CO 0.12 -0.29 0.00 0.27 -2.51 0.00 0.00 175.55 173.14 1swj n ASN 23 N 1.04 0.00 0.26 -0.18 0.23 -1.06 -1.48 115.26 114.08 1swj n ASN 23 Ca -0.20 -0.97 0.11 0.00 -0.53 0.00 0.00 54.58 52.98 1swj n ASN 23 Cb 0.57 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.98 1swj n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1swj h GLN 24 N 0.00 0.00 -0.62 -3.83 -0.00 -1.93 -1.84 115.11 106.89 1swj h GLN 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1swj h GLN 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1swj h GLN 24 CO 0.00 0.10 0.00 1.28 -0.00 0.00 0.00 178.83 180.21 1swj n LEU 25 N -3.95 3.72 0.00 0.06 4.77 -1.26 -4.92 117.00 115.42 1swj n LEU 25 Ca -0.02 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 1swj n LEU 25 Cb 0.19 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1swj n LEU 25 CO 0.31 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1swj n GLY 26 N 1.15 0.56 3.79 -0.72 0.00 -0.69 -5.03 105.19 104.24 1swj n GLY 26 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1swj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swj s SER 27 N -2.05 6.09 -0.15 1.61 0.01 -1.26 -4.80 113.70 113.15 1swj s SER 27 Ca 0.00 2.01 -0.04 0.00 1.31 0.00 0.00 55.95 59.23 1swj s SER 27 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1swj s SER 27 CO 0.00 -0.96 -0.02 -0.89 0.41 0.00 0.00 173.24 171.78 1swj s THR 28 N -1.94 4.03 -0.18 1.44 2.01 0.14 -2.57 115.64 118.56 1swj s THR 28 Ca 0.69 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1swj s THR 28 Cb -0.19 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1swj s THR 28 CO 0.23 0.50 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.12 1swj s PHE 29 N 0.20 2.78 -0.34 4.92 0.40 0.31 0.19 117.98 126.43 1swj s PHE 29 Ca -0.01 -1.68 -0.08 0.00 -0.60 0.00 0.00 56.93 54.56 1swj s PHE 29 Cb -0.14 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1swj s PHE 29 CO 0.02 -0.81 0.13 0.42 0.70 0.00 0.00 175.22 175.69 1swj s ILE 30 N 1.29 4.08 -0.03 0.64 1.01 0.48 -0.67 121.20 128.00 1swj s ILE 30 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1swj s ILE 30 Cb -0.14 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1swj s ILE 30 CO -0.12 -0.16 -0.11 0.54 0.00 0.00 0.00 174.94 175.09 1swj s VAL 31 N 1.47 0.94 -0.12 2.92 0.11 -1.10 0.98 120.40 125.60 1swj s VAL 31 Ca 0.00 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1swj s VAL 31 Cb -0.19 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1swj s VAL 31 CO 0.04 0.28 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.06 1swj s THR 32 N 0.06 2.99 -0.21 5.04 2.01 0.48 -1.69 115.64 124.32 1swj s THR 32 Ca -0.02 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1swj s THR 32 Cb -0.08 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1swj s THR 32 CO 0.01 0.53 0.30 0.00 -0.69 0.00 0.00 174.62 174.77 1swj s ALA 33 N 0.26 3.58 0.38 7.40 0.00 -1.26 -2.44 121.76 129.67 1swj s ALA 33 Ca -0.10 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.06 1swj s ALA 33 Cb -0.16 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 1swj s ALA 33 CO 0.05 -0.22 0.82 0.20 0.00 0.00 0.00 175.76 176.61 1swj s GLY 34 N 0.98 2.27 0.57 0.00 0.00 0.45 -4.95 107.32 106.64 1swj s GLY 34 Ca 0.15 0.11 0.29 0.00 0.00 0.00 0.00 44.72 45.27 1swj s GLY 34 CO 0.06 0.34 1.90 0.00 0.00 0.00 0.00 173.10 175.40 1swj h ALA 35 N 1.91 2.37 -0.50 3.20 0.00 -1.97 -0.52 119.26 123.75 1swj h ALA 35 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1swj h ALA 35 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1swj h ALA 35 CO 0.64 -0.81 0.00 -0.40 0.00 0.00 0.00 179.25 178.68 1swj n ASP 36 N -3.90 2.85 0.00 0.00 5.75 -1.26 -4.89 116.55 115.10 1swj n ASP 36 Ca 0.11 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1swj n ASP 36 Cb 0.74 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1swj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swj n GLY 37 N 1.24 0.72 3.82 6.12 0.00 -0.20 -4.98 105.19 111.90 1swj n GLY 37 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1swj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swj s ALA 38 N -2.16 3.37 -0.17 4.61 0.00 -1.24 -1.86 121.76 124.31 1swj s ALA 38 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1swj s ALA 38 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1swj s ALA 38 CO 0.00 0.31 -0.18 -0.51 0.00 0.00 0.00 175.76 175.37 1swj s LEU 39 N -2.18 1.99 0.08 0.00 1.02 -0.46 0.17 118.68 119.30 1swj s LEU 39 Ca 0.46 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1swj s LEU 39 Cb -0.16 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 1swj s LEU 39 CO 0.20 -0.01 -0.10 0.42 0.02 0.00 0.00 176.35 176.89 1swj s THR 40 N 1.31 0.82 -4.34 5.49 -4.23 -1.02 -0.36 115.64 113.30 1swj s THR 40 Ca 0.04 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1swj s THR 40 Cb -0.13 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1swj s THR 40 CO -0.11 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1swj n GLY 41 N 0.86 -0.52 2.99 3.99 0.00 -1.08 -0.39 105.19 111.05 1swj n GLY 41 Ca -0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1swj n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swj s THR 42 N -3.50 0.23 -0.23 2.61 -1.32 0.27 -1.47 115.64 112.24 1swj s THR 42 Ca 0.00 -0.82 -0.07 0.00 -1.21 0.00 0.00 61.69 59.59 1swj s THR 42 Cb 0.00 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 1swj s THR 42 CO 0.00 -0.38 0.06 -0.47 -2.21 0.00 0.00 174.62 171.62 1swj s TYR 43 N -1.21 3.11 -0.29 9.09 5.04 0.53 -0.38 117.35 133.23 1swj s TYR 43 Ca -0.12 -0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.13 1swj s TYR 43 Cb -0.09 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1swj s TYR 43 CO -0.00 -0.24 0.07 -2.00 -1.34 0.00 0.00 175.55 172.03 1swj s GLU 44 N 1.30 3.09 -0.08 4.97 2.12 0.49 -1.85 118.70 128.73 1swj s GLU 44 Ca 0.05 -0.86 -0.25 0.00 0.36 0.00 0.00 54.97 54.27 1swj s GLU 44 Cb -0.15 -3.34 -0.21 0.00 0.26 0.00 0.00 34.13 30.69 1swj s GLU 44 CO 0.03 -0.43 0.91 1.03 -0.54 0.00 0.00 175.26 176.26 1swj h SER 45 N 8.22 -0.04 -3.12 -1.70 0.87 -1.76 0.39 113.55 116.42 1swj h SER 45 Ca -0.32 -0.66 -0.63 0.00 -1.23 0.00 0.00 61.79 58.96 1swj h SER 45 Cb 1.13 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 63.00 1swj h SER 45 CO 0.60 0.69 -0.61 0.00 -0.53 0.00 0.00 176.83 176.98 1swj s ALA 46 N -3.17 3.50 -0.83 6.23 0.00 -1.26 -4.61 121.76 121.62 1swj s ALA 46 Ca -0.16 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.46 1swj s ALA 46 Cb -0.01 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.79 1swj s ALA 46 CO 0.61 0.69 1.34 0.08 0.00 0.00 0.00 175.76 178.48 1swj s VAL 47 N -1.45 3.78 0.00 0.00 1.01 -1.26 -4.07 120.40 118.41 1swj s VAL 47 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1swj s VAL 47 Cb -0.12 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1swj s VAL 47 CO 0.21 -1.88 0.00 0.61 0.00 0.00 0.00 175.10 174.05 1swj n GLY 48 N 5.90 2.77 3.66 4.51 0.00 -1.26 -5.10 105.19 115.68 1swj n GLY 48 Ca 0.13 -0.75 -0.62 0.00 0.00 0.00 0.00 46.02 44.79 1swj n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swj n ASN 49 N 0.00 1.25 0.11 1.61 4.05 -1.26 -4.88 115.26 116.14 1swj n ASN 49 Ca 0.00 1.15 0.09 0.00 0.45 0.00 0.00 54.58 56.27 1swj n ASN 49 Cb 0.00 -0.99 0.01 0.00 1.23 0.00 0.00 39.78 40.04 1swj n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1swj h ALA 50 N 5.00 0.60 0.00 5.20 0.00 -1.98 -3.28 119.26 124.80 1swj h ALA 50 Ca -0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1swj h ALA 50 Cb 1.37 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1swj h ALA 50 CO 0.87 0.17 -0.02 0.93 0.00 0.00 0.00 179.25 181.20 1swj h GLU 51 N 0.00 0.00 -0.84 0.00 5.08 -2.00 -1.29 114.58 115.53 1swj h GLU 51 Ca -0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.76 1swj h GLU 51 Cb 1.11 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.03 1swj h GLU 51 CO 0.01 0.02 0.13 -1.13 -1.00 0.00 0.00 179.01 177.04 1swj n SER 52 N -3.20 5.97 -4.36 1.42 3.41 -1.24 -4.61 113.62 111.01 1swj n SER 52 Ca -0.01 -3.77 -0.33 0.00 -0.26 0.00 0.00 58.87 54.50 1swj n SER 52 Cb 0.19 -0.70 -0.15 0.00 -0.26 0.00 0.00 64.21 63.30 1swj n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1swj s ARG 53 N -3.66 3.05 0.02 4.33 3.52 -0.49 -2.52 118.95 123.19 1swj s ARG 53 Ca 0.57 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 1swj s ARG 53 Cb 0.46 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 1swj s ARG 53 CO 0.01 0.32 -0.08 0.71 -0.81 0.00 0.00 175.30 175.45 1swj s TYR 54 N 0.06 0.66 0.08 5.12 2.02 -0.77 -4.82 117.35 119.69 1swj s TYR 54 Ca -0.07 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.04 1swj s TYR 54 Cb -0.15 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 1swj s TYR 54 CO 0.05 -0.03 1.08 0.08 -1.57 0.00 0.00 175.55 175.16 1swj s VAL 55 N -0.71 4.29 0.19 0.71 1.01 -1.26 -0.35 120.40 124.28 1swj s VAL 55 Ca -0.03 1.74 0.11 0.00 0.00 0.00 0.00 61.98 63.81 1swj s VAL 55 Cb -0.06 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1swj s VAL 55 CO 0.00 0.19 -0.24 -1.48 0.00 0.00 0.00 175.10 173.57 1swj s LEU 56 N 0.57 2.43 -0.09 3.92 0.05 -0.54 -4.34 118.68 120.68 1swj s LEU 56 Ca 0.53 -0.86 -0.16 0.00 0.05 0.00 0.00 54.13 53.69 1swj s LEU 56 Cb -0.26 -1.18 0.04 0.00 -2.05 0.00 0.00 46.19 42.74 1swj s LEU 56 CO 0.30 0.12 0.40 0.28 -0.55 0.00 0.00 176.35 176.91 1swj s THR 57 N -1.65 0.02 0.00 5.48 -1.32 -0.97 -2.63 115.64 114.57 1swj s THR 57 Ca 0.20 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1swj s THR 57 Cb -0.08 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1swj s THR 57 CO 0.10 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1swj n GLY 58 N 2.00 1.78 3.00 6.08 0.00 0.51 -0.54 105.19 118.02 1swj n GLY 58 Ca -0.17 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1swj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swj s ARG 59 N -1.76 0.32 0.25 1.61 1.81 -0.93 -1.36 118.95 118.90 1swj s ARG 59 Ca 0.00 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1swj s ARG 59 Cb 0.00 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.59 1swj s ARG 59 CO 0.00 -0.06 0.25 1.52 -0.68 0.00 0.00 175.30 176.33 1swj s TYR 60 N -1.31 1.16 -0.67 -0.53 1.13 -0.78 -1.94 117.35 114.41 1swj s TYR 60 Ca -0.14 -1.34 -0.22 0.00 -1.41 0.00 0.00 57.07 53.96 1swj s TYR 60 Cb -0.09 -0.43 0.07 0.00 -1.10 0.00 0.00 41.96 40.42 1swj s TYR 60 CO -0.00 -0.80 0.97 0.34 -2.51 0.00 0.00 175.55 173.55 1swj s ASP 61 N -3.19 6.19 0.04 -0.18 2.15 -0.67 -4.70 116.67 116.31 1swj s ASP 61 Ca 0.36 -1.05 0.15 0.00 0.43 0.00 0.00 52.55 52.44 1swj s ASP 61 Cb 0.04 -2.42 0.62 0.00 -0.30 0.00 0.00 42.92 40.86 1swj s ASP 61 CO 0.16 -1.43 1.46 -1.54 -0.17 0.00 0.00 175.17 173.65 1swj n SER 62 N 7.66 0.11 -3.45 -0.34 3.41 -1.26 -3.91 113.62 115.83 1swj n SER 62 Ca -0.02 0.53 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 1swj n SER 62 Cb 0.46 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 1swj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swj n ALA 63 N -1.54 2.93 -1.10 7.33 0.00 -1.26 -5.06 120.51 121.80 1swj n ALA 63 Ca 0.03 -3.29 -0.31 0.00 0.00 0.00 0.00 53.44 49.87 1swj n ALA 63 Cb 0.16 -0.79 0.12 0.00 0.00 0.00 0.00 19.45 18.94 1swj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swj s PRO 64 N -0.17 1.75 0.97 0.00 0.04 -1.25 -5.00 135.00 131.34 1swj s PRO 64 Ca 0.32 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1swj s PRO 64 Cb 0.03 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.91 1swj s PRO 64 CO -0.19 -2.01 1.10 0.00 0.04 0.00 0.00 177.00 175.94 1swj s ALA 65 N -2.83 0.98 -0.96 8.56 0.00 -1.26 -4.94 121.76 121.30 1swj s ALA 65 Ca 0.63 0.28 0.16 0.00 0.00 0.00 0.00 51.96 53.03 1swj s ALA 65 Cb -0.19 -3.35 0.53 0.00 0.00 0.00 0.00 23.12 20.11 1swj s ALA 65 CO 0.57 -2.95 1.45 0.25 0.00 0.00 0.00 175.76 175.07 1swj n THR 66 N -4.34 1.53 -0.77 0.00 -2.24 -1.26 -4.52 114.28 102.68 1swj n THR 66 Ca 0.08 -1.24 0.08 0.00 -2.27 0.00 0.00 64.05 60.71 1swj n THR 66 Cb 0.53 0.23 0.36 0.00 -2.10 0.00 0.00 70.33 69.35 1swj n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swj n ASP 67 N 0.65 5.01 0.00 3.42 5.68 -1.26 -4.89 116.55 125.15 1swj n ASP 67 Ca 0.20 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 1swj n ASP 67 Cb 0.70 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1swj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swj n GLY 68 N 0.69 0.42 3.75 6.12 0.00 -1.26 -5.07 105.19 109.85 1swj n GLY 68 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1swj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swj s SER 69 N -2.63 5.36 1.11 1.61 0.01 -1.26 -5.02 113.70 112.88 1swj s SER 69 Ca 0.00 2.49 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 1swj s SER 69 Cb 0.00 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.78 1swj s SER 69 CO 0.00 -1.49 0.62 0.61 0.41 0.00 0.00 173.24 173.39 1swj n GLY 70 N 0.58 -2.42 3.34 3.44 0.00 -1.26 -4.74 105.19 104.12 1swj n GLY 70 Ca 0.12 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1swj n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swj s THR 71 N -2.16 3.86 0.32 2.61 2.01 1.00 -4.68 115.64 118.59 1swj s THR 71 Ca 0.39 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 1swj s THR 71 Cb -0.03 -2.96 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 1swj s THR 71 CO 0.30 0.14 1.18 0.00 -0.69 0.00 0.00 174.62 175.54 1swj s ALA 72 N 1.49 3.39 0.19 7.40 0.00 -1.26 0.00 121.76 132.97 1swj s ALA 72 Ca 0.03 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1swj s ALA 72 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1swj s ALA 72 CO 0.02 -0.39 0.41 -0.48 0.00 0.00 0.00 175.76 175.32 1swj s LEU 73 N -1.77 0.51 -0.08 0.00 2.34 -0.37 -1.67 118.68 117.65 1swj s LEU 73 Ca 0.48 -0.73 -0.31 0.00 0.06 0.00 0.00 54.13 53.63 1swj s LEU 73 Cb -0.34 1.66 0.08 0.00 -0.56 0.00 0.00 46.19 47.03 1swj s LEU 73 CO 0.44 -1.00 0.75 -0.83 -1.06 0.00 0.00 176.35 174.65 1swj s GLY 74 N -2.94 -0.51 0.16 -3.48 0.00 -0.82 -2.24 107.32 97.49 1swj s GLY 74 Ca 0.15 1.49 -0.18 0.00 0.00 0.00 0.00 44.72 46.17 1swj s GLY 74 CO 0.01 0.99 0.50 0.66 0.00 0.00 0.00 173.10 175.25 1swj s TRP 75 N -1.14 -0.26 0.06 1.90 -2.14 -0.77 -2.18 118.94 114.40 1swj s TRP 75 Ca -0.09 -0.04 0.06 0.00 2.66 0.00 0.00 56.10 58.70 1swj s TRP 75 Cb -0.00 0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 30.73 1swj s TRP 75 CO 0.08 -0.82 -0.17 0.99 -2.66 0.00 0.00 176.95 174.37 1swj s THR 76 N -3.81 1.39 -0.13 0.66 2.01 0.29 -1.57 115.64 114.47 1swj s THR 76 Ca 0.05 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.81 1swj s THR 76 Cb 0.00 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.30 1swj s THR 76 CO -0.09 0.01 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.13 1swj s VAL 77 N -0.97 0.75 -0.16 3.82 1.01 -0.43 -2.30 120.40 122.12 1swj s VAL 77 Ca 0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1swj s VAL 77 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1swj s VAL 77 CO 0.02 0.14 0.45 0.00 0.00 0.00 0.00 175.10 175.71 1swj s ALA 78 N 1.80 3.52 -1.46 5.51 0.00 -1.26 -1.11 121.76 128.76 1swj s ALA 78 Ca 0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1swj s ALA 78 Cb -0.14 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.37 1swj s ALA 78 CO -0.07 -0.15 2.24 1.19 0.00 0.00 0.00 175.76 178.97 1swj n PHE 79 N 4.08 3.45 -3.61 0.00 3.72 0.18 -4.76 117.46 120.51 1swj n PHE 79 Ca -0.07 -2.97 -0.12 0.00 -0.05 0.00 0.00 57.45 54.23 1swj n PHE 79 Cb 0.51 -2.52 -0.12 0.00 -0.94 0.00 0.00 39.48 36.42 1swj n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1swj s LYS 80 N 2.98 0.21 0.00 -1.08 2.36 -1.26 -0.59 119.74 122.36 1swj s LYS 80 Ca 0.48 0.73 0.00 0.00 -2.55 0.00 0.00 55.97 54.62 1swj s LYS 80 Cb 0.14 -0.13 0.00 0.00 -1.05 0.00 0.00 37.83 36.79 1swj s LYS 80 CO -0.08 -0.36 0.00 0.27 1.55 0.00 0.00 175.35 176.73 1swj n ASN 81 N 5.36 0.65 0.27 1.43 0.23 -0.73 -4.85 115.26 117.61 1swj n ASN 81 Ca -0.06 -0.49 0.12 0.00 -0.53 0.00 0.00 54.58 53.61 1swj n ASN 81 Cb 0.50 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.94 1swj n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swj h ASN 82 N 0.00 0.00 0.00 0.53 -0.26 -1.93 -3.34 115.58 110.58 1swj h ASN 82 Ca 0.00 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.44 1swj h ASN 82 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1swj h ASN 82 CO 0.00 0.08 -2.03 -1.22 -1.06 0.00 0.00 177.43 173.20 1swj n TYR 83 N -3.91 0.00 -4.22 1.19 4.01 -1.26 -5.05 117.16 107.92 1swj n TYR 83 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 1swj n TYR 83 Cb 0.17 -0.67 -0.11 0.00 -0.31 0.00 0.00 39.34 38.42 1swj n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swj s ARG 84 N -2.34 0.96 -0.24 -0.72 3.03 -1.25 -5.12 118.95 113.26 1swj s ARG 84 Ca -0.26 -1.21 -0.01 0.00 2.03 0.00 0.00 55.73 56.28 1swj s ARG 84 Cb 0.09 -0.75 0.07 0.00 -1.03 0.00 0.00 34.95 33.33 1swj s ARG 84 CO 0.34 0.14 0.02 1.21 -1.13 0.00 0.00 175.30 175.88 1swj s ASN 85 N -2.46 3.54 0.00 -2.89 3.84 -1.26 -1.78 114.94 113.93 1swj s ASN 85 Ca 0.08 -1.18 0.29 0.00 0.21 0.00 0.00 52.86 52.26 1swj s ASN 85 Cb -0.04 -0.88 1.20 0.00 -0.55 0.00 0.00 41.25 40.99 1swj s ASN 85 CO 0.02 -0.31 1.85 0.00 -2.79 0.00 0.00 177.10 175.86 1swj n ALA 86 N 4.86 2.77 -3.64 1.71 0.00 0.25 -4.91 120.51 121.54 1swj n ALA 86 Ca -0.08 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 1swj n ALA 86 Cb 0.45 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1swj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swj n HIS 87 N -0.98 -2.62 -3.82 0.00 8.25 -1.26 -4.88 115.22 109.90 1swj n HIS 87 Ca 0.14 0.93 -0.10 0.00 -0.26 0.00 0.00 57.72 58.43 1swj n HIS 87 Cb 0.28 -4.64 -0.07 0.00 1.12 0.00 0.00 29.99 26.67 1swj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swj s SER 88 N -3.24 0.04 -0.04 0.41 1.04 -1.26 -1.87 113.70 108.79 1swj s SER 88 Ca 0.58 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 1swj s SER 88 Cb -0.27 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1swj s SER 88 CO 0.72 -0.68 0.10 0.00 0.98 0.00 0.00 173.24 174.36 1swj s ALA 89 N -3.39 -0.24 -0.02 5.32 0.00 -0.49 -0.65 121.76 122.30 1swj s ALA 89 Ca 0.01 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1swj s ALA 89 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1swj s ALA 89 CO -0.08 -0.05 -0.25 0.99 0.00 0.00 0.00 175.76 176.36 1swj s THR 90 N 0.00 2.11 -0.07 0.00 2.01 -0.26 -0.86 115.64 118.57 1swj s THR 90 Ca -0.01 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 60.94 1swj s THR 90 Cb -0.01 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1swj s THR 90 CO 0.00 0.57 -0.24 0.42 -0.69 0.00 0.00 174.62 174.68 1swj s THR 91 N -0.63 2.03 -0.17 -0.82 -4.23 -0.12 -1.31 115.64 110.39 1swj s THR 91 Ca 0.10 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1swj s THR 91 Cb -0.10 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 1swj s THR 91 CO -0.01 0.56 0.00 0.26 -0.54 0.00 0.00 174.62 174.89 1swj s TRP 92 N 0.06 3.09 -0.05 3.99 0.51 -0.61 -1.47 118.94 124.47 1swj s TRP 92 Ca -0.10 -0.22 0.05 0.00 -2.12 0.00 0.00 56.10 53.71 1swj s TRP 92 Cb -0.15 -2.02 -0.00 0.00 -0.81 0.00 0.00 33.47 30.48 1swj s TRP 92 CO 0.06 -0.02 -0.20 0.45 -0.51 0.00 0.00 176.95 176.73 1swj s SER 93 N 0.49 2.51 0.00 2.95 0.15 0.11 -1.85 113.70 118.06 1swj s SER 93 Ca -0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1swj s SER 93 Cb -0.14 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1swj s SER 93 CO 0.02 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1swj n GLY 94 N 3.15 -0.64 3.03 9.45 0.00 -0.95 -0.62 105.19 118.62 1swj n GLY 94 Ca -0.18 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1swj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swj s GLN 95 N -0.39 0.35 0.06 1.61 -2.07 -0.45 -1.24 119.66 117.54 1swj s GLN 95 Ca 0.00 -0.40 -0.24 0.00 -1.82 0.00 0.00 55.36 52.90 1swj s GLN 95 Cb 0.00 0.14 -0.06 0.00 -1.09 0.00 0.00 33.01 32.00 1swj s GLN 95 CO 0.00 -0.07 0.74 -0.47 -1.32 0.00 0.00 175.29 174.17 1swj s TYR 96 N -1.17 3.77 -0.27 9.60 5.04 0.10 -2.40 117.35 132.01 1swj s TYR 96 Ca -0.13 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 1swj s TYR 96 Cb -0.07 -2.77 0.08 0.00 0.35 0.00 0.00 41.96 39.54 1swj s TYR 96 CO 0.00 0.34 0.03 0.08 -1.34 0.00 0.00 175.55 174.66 1swj s VAL 97 N -0.33 1.32 0.00 3.14 1.01 -0.70 -0.00 120.40 124.84 1swj s VAL 97 Ca 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1swj s VAL 97 Cb -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1swj s VAL 97 CO 0.23 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1swj n GLY 98 N 4.70 0.54 0.00 4.51 0.00 -1.26 -1.75 105.19 111.93 1swj n GLY 98 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1swj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swj n GLY 99 N 5.00 2.29 0.00 -0.02 0.00 -1.26 -4.22 105.19 106.97 1swj n GLY 99 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1swj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swj n ALA 100 N 0.03 0.00 0.15 4.61 0.00 -1.26 -4.89 120.51 119.16 1swj n ALA 100 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1swj n ALA 100 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1swj n ALA 100 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1swj h GLU 101 N 0.00 0.12 -3.19 0.00 4.57 -1.90 -3.48 114.58 110.70 1swj h GLU 101 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1swj h GLU 101 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1swj h GLU 101 CO 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 179.01 178.23 1swj n ALA 102 N -2.48 -1.00 -2.89 2.92 0.00 -1.25 -4.84 120.51 110.97 1swj n ALA 102 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1swj n ALA 102 Cb 0.36 -0.43 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 1swj n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swj s ARG 103 N 0.00 0.42 -0.21 0.00 1.81 -0.72 -4.42 118.95 115.83 1swj s ARG 103 Ca 0.00 -0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.40 1swj s ARG 103 Cb 0.00 -0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.35 1swj s ARG 103 CO 0.00 0.02 -0.12 0.42 -0.68 0.00 0.00 175.30 174.95 1swj s ILE 104 N -1.18 2.60 -0.25 1.52 1.01 -1.04 -1.72 121.20 122.14 1swj s ILE 104 Ca -0.10 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1swj s ILE 104 Cb -0.08 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1swj s ILE 104 CO -0.00 0.38 0.13 0.20 0.00 0.00 0.00 174.94 175.65 1swj s ASN 105 N 1.33 5.69 0.17 3.58 0.01 -1.01 0.79 114.94 125.51 1swj s ASN 105 Ca 0.03 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1swj s ASN 105 Cb -0.15 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1swj s ASN 105 CO -0.08 -0.01 0.04 0.42 -1.51 0.00 0.00 177.10 175.97 1swj s THR 106 N 1.48 0.43 0.06 1.60 -4.23 0.07 -1.34 115.64 113.71 1swj s THR 106 Ca 0.06 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1swj s THR 106 Cb -0.15 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1swj s THR 106 CO 0.07 -0.37 -0.19 -1.10 -0.54 0.00 0.00 174.62 172.49 1swj s GLN 107 N -3.99 2.00 0.16 3.99 -1.52 0.21 -1.58 119.66 118.93 1swj s GLN 107 Ca 0.27 -1.03 0.05 0.00 -1.95 0.00 0.00 55.36 52.70 1swj s GLN 107 Cb 0.07 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.65 1swj s GLN 107 CO 0.05 0.53 -0.09 1.67 -0.25 0.00 0.00 175.29 177.20 1swj s TRP 108 N -0.96 1.31 -0.09 0.91 1.48 0.24 0.09 118.94 121.92 1swj s TRP 108 Ca 0.15 -0.77 -0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1swj s TRP 108 Cb -0.10 -0.68 0.03 0.00 -1.16 0.00 0.00 33.47 31.55 1swj s TRP 108 CO 0.06 0.08 -0.04 -0.51 -4.06 0.00 0.00 176.95 172.48 1swj s LEU 109 N -3.19 0.95 -0.24 -4.66 1.43 -0.54 -2.15 118.68 110.27 1swj s LEU 109 Ca 0.18 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1swj s LEU 109 Cb 0.03 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.61 1swj s LEU 109 CO 0.02 -0.14 -0.02 -0.22 0.23 0.00 0.00 176.35 176.21 1swj s LEU 110 N 1.74 3.14 -0.01 1.79 2.96 -0.57 -0.95 118.68 126.79 1swj s LEU 110 Ca 0.03 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1swj s LEU 110 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1swj s LEU 110 CO -0.06 -0.08 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.96 1swj s THR 111 N 1.45 3.85 -0.05 3.68 2.01 -0.04 -0.26 115.64 126.28 1swj s THR 111 Ca 0.04 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1swj s THR 111 Cb -0.15 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1swj s THR 111 CO -0.02 0.41 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.72 1swj s SER 112 N -1.40 3.92 0.07 3.53 0.01 0.49 -1.40 113.70 118.92 1swj s SER 112 Ca 0.17 -0.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.90 1swj s SER 112 Cb -0.11 -0.84 -0.09 0.00 0.21 0.00 0.00 66.02 65.19 1swj s SER 112 CO 0.08 0.33 1.76 -0.83 0.41 0.00 0.00 173.24 174.99 1swj s GLY 113 N -0.66 1.47 0.32 3.44 0.00 -0.78 -4.82 107.32 106.29 1swj s GLY 113 Ca 0.10 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.12 1swj s GLY 113 CO 0.01 3.08 0.11 -0.51 0.00 0.00 0.00 173.10 175.79 1swj s THR 114 N 3.11 0.65 0.78 0.90 -4.23 -1.26 -5.07 115.64 110.53 1swj s THR 114 Ca 0.78 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1swj s THR 114 Cb -0.41 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1swj s THR 114 CO 0.35 0.00 1.08 0.42 -0.54 0.00 0.00 174.62 175.93 1swj s THR 115 N -3.49 3.30 0.47 3.99 -4.23 -1.26 -4.92 115.64 109.51 1swj s THR 115 Ca 0.34 0.42 0.18 0.00 -1.18 0.00 0.00 61.69 61.46 1swj s THR 115 Cb 0.06 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 71.08 1swj s THR 115 CO 0.15 -0.55 2.06 -0.33 -0.54 0.00 0.00 174.62 175.41 1swj h GLU 116 N -1.09 0.00 0.00 3.99 4.39 -2.01 -2.56 114.58 117.30 1swj h GLU 116 Ca -0.46 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 1swj h GLU 116 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1swj h GLU 116 CO 0.56 0.12 -0.45 0.00 -1.16 0.00 0.00 179.01 178.08 1swj h ALA 117 N 1.88 0.94 -0.36 3.43 0.00 -2.06 -3.13 119.26 119.95 1swj h ALA 117 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1swj h ALA 117 Cb 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1swj h ALA 117 CO 0.02 0.56 0.03 0.09 0.00 0.00 0.00 179.25 179.95 1swj n ASN 118 N -3.54 3.86 0.26 0.00 3.02 -0.98 -4.65 115.26 113.22 1swj n ASN 118 Ca -0.00 -3.19 0.14 0.00 -0.03 0.00 0.00 54.58 51.50 1swj n ASN 118 Cb 0.56 -0.60 0.67 0.00 -0.61 0.00 0.00 39.78 39.80 1swj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swj h ALA 119 N 1.88 1.11 0.00 5.41 0.00 -1.47 -2.50 119.26 123.69 1swj h ALA 119 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1swj h ALA 119 Cb 1.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1swj h ALA 119 CO 0.34 0.15 0.00 -2.67 0.00 0.00 0.00 179.25 177.08 1swj n TRP 120 N -3.40 0.29 -1.67 0.00 4.27 -1.26 -2.08 117.44 113.59 1swj n TRP 120 Ca -0.01 0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 1swj n TRP 120 Cb 0.30 -0.70 0.17 0.00 -1.36 0.00 0.00 31.31 29.73 1swj n TRP 120 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1swj n LYS 121 N -1.77 1.97 0.00 -2.67 -0.00 -0.94 -4.77 118.16 109.97 1swj n LYS 121 Ca 0.02 -3.47 0.11 0.00 -0.00 0.00 0.00 58.31 54.97 1swj n LYS 121 Cb 0.15 -1.74 -0.03 0.00 -0.00 0.00 0.00 35.03 33.41 1swj n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1swj n SER 122 N -1.04 0.75 -4.00 -5.58 3.41 -0.88 -4.92 113.62 101.36 1swj n SER 122 Ca 0.24 -0.64 -0.28 0.00 -0.26 0.00 0.00 58.87 57.92 1swj n SER 122 Cb 0.75 0.92 -0.17 0.00 -0.26 0.00 0.00 64.21 65.45 1swj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swj s THR 123 N -3.08 1.36 0.26 6.66 2.01 -1.26 -0.38 115.64 121.21 1swj s THR 123 Ca 0.06 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1swj s THR 123 Cb 0.16 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1swj s THR 123 CO 0.83 0.42 0.46 -0.76 -0.69 0.00 0.00 174.62 174.88 1swj s LEU 124 N 1.36 4.15 0.06 4.42 1.43 0.64 -4.90 118.68 125.84 1swj s LEU 124 Ca 0.01 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1swj s LEU 124 Cb -0.13 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1swj s LEU 124 CO -0.07 -0.14 -0.16 0.54 0.23 0.00 0.00 176.35 176.75 1swj s VAL 125 N -2.03 1.31 0.16 -1.59 0.11 -1.26 -1.51 120.40 115.59 1swj s VAL 125 Ca 0.40 -1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.10 1swj s VAL 125 Cb -0.10 -1.20 0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1swj s VAL 125 CO 0.31 -0.04 0.65 0.61 -3.33 0.00 0.00 175.10 173.31 1swj n GLY 126 N 1.57 0.95 3.09 6.54 0.00 -0.91 -5.00 105.19 111.43 1swj n GLY 126 Ca -0.19 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1swj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swj s HIS 127 N -3.64 1.41 0.01 1.61 -3.43 -1.26 -0.59 115.29 109.40 1swj s HIS 127 Ca 0.14 -0.36 0.07 0.00 -0.80 0.00 0.00 55.06 54.11 1swj s HIS 127 Cb -0.02 -0.95 -0.02 0.00 -1.43 0.00 0.00 32.58 30.16 1swj s HIS 127 CO 0.05 -0.11 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.96 1swj s ASP 128 N -0.01 2.36 -0.04 7.38 1.01 -0.61 -4.99 116.67 121.77 1swj s ASP 128 Ca -0.01 -0.43 0.06 0.00 0.71 0.00 0.00 52.55 52.88 1swj s ASP 128 Cb -0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 1swj s ASP 128 CO 0.01 0.20 -0.22 -0.89 0.21 0.00 0.00 175.17 174.48 1swj s THR 129 N -0.62 2.36 0.03 -1.27 2.01 -1.26 -0.75 115.64 116.14 1swj s THR 129 Ca 0.07 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1swj s THR 129 Cb -0.08 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1swj s THR 129 CO 0.00 0.58 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 1swj s PHE 130 N -0.52 2.69 -0.07 4.92 0.40 0.24 -3.54 117.98 122.09 1swj s PHE 130 Ca 0.07 -0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1swj s PHE 130 Cb -0.11 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1swj s PHE 130 CO 0.01 0.31 -0.16 0.99 0.70 0.00 0.00 175.22 177.06 1swj s THR 131 N -0.98 2.84 -2.32 0.64 2.01 -0.55 -2.50 115.64 114.78 1swj s THR 131 Ca 0.16 -0.79 0.29 0.00 0.31 0.00 0.00 61.69 61.67 1swj s THR 131 Cb -0.11 -2.11 0.68 0.00 0.01 0.00 0.00 72.50 70.97 1swj s THR 131 CO 0.07 0.57 1.92 1.17 -0.69 0.00 0.00 174.62 177.66