#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swh h ILE 17 N 0.00 0.99 -2.32 -0.61 2.04 -1.99 -3.46 117.51 112.16 1swh h ILE 17 Ca 0.00 -2.63 -0.57 0.00 1.00 0.00 0.00 64.86 62.66 1swh h ILE 17 Cb 0.00 2.70 0.05 0.00 -0.74 0.00 0.00 36.82 38.83 1swh h ILE 17 CO 0.00 0.82 0.97 0.41 0.00 0.00 0.00 178.15 180.35 1swh n THR 18 N -3.47 0.22 -0.82 -0.27 -1.04 -1.26 -4.74 114.28 102.89 1swh n THR 18 Ca -0.21 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1swh n THR 18 Cb 1.06 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1swh n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swh n GLY 19 N 3.89 0.67 3.56 3.41 0.00 -0.13 -5.01 105.19 111.59 1swh n GLY 19 Ca 0.18 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1swh n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swh s THR 20 N -2.95 4.67 0.05 2.61 2.01 -1.26 -0.65 115.64 120.12 1swh s THR 20 Ca 0.00 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.03 1swh s THR 20 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1swh s THR 20 CO 0.00 0.39 -0.25 0.26 -0.69 0.00 0.00 174.62 174.33 1swh s TRP 21 N 1.00 2.15 -0.01 4.92 0.52 0.13 -4.62 118.94 123.03 1swh s TRP 21 Ca 0.04 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1swh s TRP 21 Cb -0.14 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 1swh s TRP 21 CO 0.03 0.13 -0.14 0.71 0.02 0.00 0.00 176.95 177.71 1swh s TYR 22 N -0.83 1.24 0.56 -1.98 2.02 0.36 -0.14 117.35 118.58 1swh s TYR 22 Ca 0.10 -0.25 0.09 0.00 -0.37 0.00 0.00 57.07 56.64 1swh s TYR 22 Cb -0.10 -0.81 0.08 0.00 -0.40 0.00 0.00 41.96 40.74 1swh s TYR 22 CO 0.02 -0.04 0.78 0.54 -1.57 0.00 0.00 175.55 175.28 1swh s ASN 23 N -0.25 5.13 0.48 2.29 4.22 -1.14 0.28 114.94 125.95 1swh s ASN 23 Ca 0.04 -0.74 0.32 0.00 -2.14 0.00 0.00 52.86 50.33 1swh s ASN 23 Cb -0.06 0.13 1.34 0.00 1.28 0.00 0.00 41.25 43.94 1swh s ASN 23 CO -0.00 -1.30 1.93 1.56 -2.04 0.00 0.00 177.10 177.25 1swh h GLN 24 N 0.19 0.00 -0.65 3.55 1.08 -1.92 -3.11 115.11 114.25 1swh h GLN 24 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1swh h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1swh h GLN 24 CO 0.41 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.57 1swh n LEU 25 N -2.84 4.77 0.00 1.46 4.32 -1.26 -4.93 117.00 118.52 1swh n LEU 25 Ca 0.01 -2.42 0.00 0.00 -0.02 0.00 0.00 56.01 53.58 1swh n LEU 25 Cb 0.26 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1swh n LEU 25 CO 0.24 0.59 0.00 0.61 -1.22 0.00 0.00 177.39 177.61 1swh n GLY 26 N 0.61 2.68 1.08 -0.72 0.00 -1.18 -5.02 105.19 102.64 1swh n GLY 26 Ca 0.23 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1swh n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swh n SER 27 N 2.73 -0.31 -4.09 1.61 7.64 -1.26 -4.62 113.62 115.31 1swh n SER 27 Ca 0.00 0.36 -0.23 0.00 1.01 0.00 0.00 58.87 60.01 1swh n SER 27 Cb 0.00 -0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 1swh n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swh s THR 28 N -0.25 1.12 -0.05 0.44 2.01 -0.02 -2.87 115.64 116.03 1swh s THR 28 Ca 0.22 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1swh s THR 28 Cb -0.32 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1swh s THR 28 CO 0.18 0.32 -0.10 0.72 -0.69 0.00 0.00 174.62 175.05 1swh s PHE 29 N -0.17 1.13 -0.31 4.92 -0.12 0.80 -1.26 117.98 122.97 1swh s PHE 29 Ca 0.02 -0.35 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 1swh s PHE 29 Cb -0.07 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.48 1swh s PHE 29 CO 0.00 -0.19 0.12 0.42 -0.05 0.00 0.00 175.22 175.52 1swh s ILE 30 N 0.53 4.26 0.10 -4.49 1.09 -0.88 0.23 121.20 122.04 1swh s ILE 30 Ca -0.10 -0.63 0.09 0.00 -1.10 0.00 0.00 60.65 58.92 1swh s ILE 30 Cb -0.13 -3.22 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 1swh s ILE 30 CO 0.02 0.03 -0.24 0.68 -0.10 0.00 0.00 174.94 175.32 1swh s VAL 31 N 1.54 1.98 -0.14 2.92 -7.23 0.17 -1.52 120.40 118.13 1swh s VAL 31 Ca 0.03 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1swh s VAL 31 Cb -0.17 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1swh s VAL 31 CO 0.04 0.10 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.90 1swh s THR 32 N -1.02 2.87 -0.49 5.32 2.01 0.70 -0.95 115.64 124.08 1swh s THR 32 Ca 0.10 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.18 1swh s THR 32 Cb -0.10 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.25 1swh s THR 32 CO 0.04 0.52 0.69 0.00 -0.69 0.00 0.00 174.62 175.19 1swh s ALA 33 N 0.55 3.33 0.70 7.40 0.00 -1.26 -1.83 121.76 130.64 1swh s ALA 33 Ca -0.09 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 1swh s ALA 33 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1swh s ALA 33 CO 0.04 -1.99 1.10 0.20 0.00 0.00 0.00 175.76 175.11 1swh s GLY 34 N 2.44 1.97 0.41 0.00 0.00 0.12 -4.93 107.32 107.33 1swh s GLY 34 Ca 0.21 0.44 0.07 0.00 0.00 0.00 0.00 44.72 45.44 1swh s GLY 34 CO 0.16 0.79 2.05 0.00 0.00 0.00 0.00 173.10 176.10 1swh h ALA 35 N -0.41 1.69 -1.80 3.20 0.00 -1.98 -2.86 119.26 117.10 1swh h ALA 35 Ca -0.46 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 1swh h ALA 35 Cb 1.24 -0.16 -0.38 0.00 0.00 0.00 0.00 17.79 18.49 1swh h ALA 35 CO 0.53 0.28 -0.16 -3.47 0.00 0.00 0.00 179.25 176.43 1swh n ASP 36 N -4.46 5.41 0.00 0.00 2.03 -1.26 -4.89 116.55 113.38 1swh n ASP 36 Ca 0.03 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1swh n ASP 36 Cb 0.07 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1swh n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swh n GLY 37 N -0.29 0.62 3.79 0.27 0.00 -1.08 -4.96 105.19 103.55 1swh n GLY 37 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1swh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swh s ALA 38 N -2.41 3.16 -0.14 4.61 0.00 -1.25 -0.98 121.76 124.75 1swh s ALA 38 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1swh s ALA 38 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1swh s ALA 38 CO 0.00 0.14 -0.15 -0.51 0.00 0.00 0.00 175.76 175.23 1swh s LEU 39 N -2.37 1.76 -0.01 0.00 1.02 -0.75 0.13 118.68 118.45 1swh s LEU 39 Ca 0.54 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 54.18 1swh s LEU 39 Cb -0.16 -1.21 0.01 0.00 0.02 0.00 0.00 46.19 44.85 1swh s LEU 39 CO 0.21 -0.03 0.03 0.42 0.02 0.00 0.00 176.35 177.00 1swh s THR 40 N 1.33 -0.02 -0.46 5.49 -4.23 -0.76 -1.23 115.64 115.75 1swh s THR 40 Ca 0.02 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1swh s THR 40 Cb -0.13 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1swh s THR 40 CO -0.09 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1swh n GLY 41 N 3.53 -0.59 3.06 3.99 0.00 -0.71 -0.22 105.19 114.25 1swh n GLY 41 Ca -0.19 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1swh n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swh s THR 42 N -3.14 0.52 -0.07 2.61 -4.23 -0.57 -0.70 115.64 110.05 1swh s THR 42 Ca 0.00 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1swh s THR 42 Cb 0.00 -0.59 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 1swh s THR 42 CO 0.00 -0.37 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.12 1swh s TYR 43 N -1.34 2.77 0.35 3.99 5.04 0.13 -2.07 117.35 126.22 1swh s TYR 43 Ca -0.10 -0.23 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 1swh s TYR 43 Cb -0.10 -1.69 0.03 0.00 0.35 0.00 0.00 41.96 40.55 1swh s TYR 43 CO 0.00 0.12 0.67 -1.83 -1.34 0.00 0.00 175.55 173.18 1swh s GLU 44 N -0.49 2.04 0.00 4.97 4.04 -0.39 -0.74 118.70 128.12 1swh s GLU 44 Ca 0.07 -1.45 0.00 0.00 0.04 0.00 0.00 54.97 53.62 1swh s GLU 44 Cb -0.12 0.56 0.00 0.00 0.02 0.00 0.00 34.13 34.59 1swh s GLU 44 CO 0.02 -0.92 0.00 0.43 -1.84 0.00 0.00 175.26 172.95 1swh n SER 45 N -1.20 0.00 -1.57 0.83 7.64 -1.23 -0.84 113.62 117.25 1swh n SER 45 Ca -0.05 -0.58 0.01 0.00 1.01 0.00 0.00 58.87 59.26 1swh n SER 45 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 1swh n SER 45 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1swh n ASN 49 N 0.00 -8.45 -0.33 6.43 6.94 -1.26 -4.91 115.26 113.68 1swh n ASN 49 Ca 0.00 1.86 0.18 0.00 -0.02 0.00 0.00 54.58 56.60 1swh n ASN 49 Cb 0.15 -5.09 0.42 0.00 -2.36 0.00 0.00 39.78 32.89 1swh n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swh h ALA 50 N 0.06 1.93 0.00 -2.53 0.00 -2.02 0.15 119.26 116.84 1swh h ALA 50 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1swh h ALA 50 Cb 1.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1swh h ALA 50 CO 0.01 -0.34 -0.01 0.93 0.00 0.00 0.00 179.25 179.83 1swh h GLU 51 N 0.56 0.00 -0.15 0.00 3.07 -1.99 -1.77 114.58 114.30 1swh h GLU 51 Ca 0.59 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.42 1swh h GLU 51 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1swh h GLU 51 CO -0.36 0.01 -0.07 0.43 -1.40 0.00 0.00 179.01 177.62 1swh n SER 52 N -3.18 2.80 -4.48 1.42 7.64 0.04 -4.79 113.62 113.07 1swh n SER 52 Ca -0.02 -3.29 -0.33 0.00 1.01 0.00 0.00 58.87 56.24 1swh n SER 52 Cb 0.16 -0.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 1swh n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1swh s ARG 53 N -2.97 3.35 -0.00 1.43 3.52 -0.67 -3.52 118.95 120.09 1swh s ARG 53 Ca 0.38 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1swh s ARG 53 Cb 0.33 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.98 1swh s ARG 53 CO 0.03 0.34 0.05 0.71 -0.81 0.00 0.00 175.30 175.62 1swh s TYR 54 N 0.07 0.07 0.27 5.12 1.51 0.08 -4.72 117.35 119.74 1swh s TYR 54 Ca -0.02 -0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 1swh s TYR 54 Cb -0.14 -0.07 -0.10 0.00 -0.11 0.00 0.00 41.96 41.55 1swh s TYR 54 CO 0.03 -0.15 1.31 0.08 -1.11 0.00 0.00 175.55 175.71 1swh s VAL 55 N -0.83 2.96 0.12 0.71 1.01 -1.26 0.22 120.40 123.33 1swh s VAL 55 Ca -0.09 0.87 0.11 0.00 0.00 0.00 0.00 61.98 62.87 1swh s VAL 55 Cb -0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1swh s VAL 55 CO 0.00 0.17 -0.27 -1.48 0.00 0.00 0.00 175.10 173.53 1swh s LEU 56 N -0.96 2.32 -0.08 3.92 0.05 0.12 -4.42 118.68 119.63 1swh s LEU 56 Ca 0.53 -0.73 -0.13 0.00 0.05 0.00 0.00 54.13 53.84 1swh s LEU 56 Cb -0.38 -1.24 0.03 0.00 -2.05 0.00 0.00 46.19 42.55 1swh s LEU 56 CO 0.45 0.19 0.33 0.28 -0.55 0.00 0.00 176.35 177.05 1swh s THR 57 N -1.05 0.02 0.00 5.48 -1.32 -1.00 -1.74 115.64 116.04 1swh s THR 57 Ca 0.14 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1swh s THR 57 Cb -0.10 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1swh s THR 57 CO 0.06 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1swh n GLY 58 N 2.21 1.90 3.09 6.08 0.00 -0.37 -0.78 105.19 117.31 1swh n GLY 58 Ca -0.17 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1swh n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swh s ARG 59 N -1.37 0.54 0.05 1.61 1.81 -0.24 -1.82 118.95 119.54 1swh s ARG 59 Ca 0.00 -0.84 -0.03 0.00 -1.72 0.00 0.00 55.73 53.15 1swh s ARG 59 Cb 0.00 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.68 1swh s ARG 59 CO 0.00 -0.12 0.03 1.52 -0.68 0.00 0.00 175.30 176.05 1swh s TYR 60 N -2.71 0.36 -0.39 -0.53 1.13 -0.15 -1.28 117.35 113.77 1swh s TYR 60 Ca -0.04 -0.79 -0.28 0.00 -1.41 0.00 0.00 57.07 54.55 1swh s TYR 60 Cb -0.01 -0.26 -0.00 0.00 -1.10 0.00 0.00 41.96 40.59 1swh s TYR 60 CO -0.05 -0.37 1.58 0.34 -2.51 0.00 0.00 175.55 174.54 1swh s ASP 61 N -2.49 6.12 -0.00 -0.18 2.15 0.04 -4.42 116.67 117.88 1swh s ASP 61 Ca 0.00 0.97 0.02 0.00 0.43 0.00 0.00 52.55 53.98 1swh s ASP 61 Cb 0.03 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.19 1swh s ASP 61 CO -0.07 -1.58 1.02 -1.54 -0.17 0.00 0.00 175.17 172.83 1swh n SER 62 N 9.55 0.55 -2.95 -0.34 3.41 -1.26 -4.06 113.62 118.51 1swh n SER 62 Ca 0.19 -2.01 -0.14 0.00 -0.26 0.00 0.00 58.87 56.65 1swh n SER 62 Cb 0.48 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1swh n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swh n ALA 63 N -0.23 0.47 -0.74 7.33 0.00 -1.26 -5.00 120.51 121.09 1swh n ALA 63 Ca 0.03 -2.37 -0.29 0.00 0.00 0.00 0.00 53.44 50.81 1swh n ALA 63 Cb 0.10 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 18.69 1swh n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swh s PRO 64 N -0.63 -0.03 0.79 0.00 0.04 -1.26 -5.02 135.00 128.90 1swh s PRO 64 Ca 0.32 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1swh s PRO 64 Cb 0.26 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 33.22 1swh s PRO 64 CO -0.12 -3.16 1.12 0.00 0.04 0.00 0.00 177.00 174.88 1swh s ALA 65 N -2.62 2.08 -1.40 8.56 0.00 -1.26 -4.98 121.76 122.14 1swh s ALA 65 Ca 0.67 0.44 0.13 0.00 0.00 0.00 0.00 51.96 53.20 1swh s ALA 65 Cb -0.23 -3.34 0.24 0.00 0.00 0.00 0.00 23.12 19.79 1swh s ALA 65 CO 0.61 -1.95 1.12 0.25 0.00 0.00 0.00 175.76 175.80 1swh n THR 66 N -3.47 0.51 1.10 0.00 -2.24 -1.26 -4.49 114.28 104.43 1swh n THR 66 Ca 0.10 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1swh n THR 66 Cb 0.52 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1swh n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swh n ASP 67 N 0.75 0.00 0.00 3.42 5.68 -1.26 -4.75 116.55 120.39 1swh n ASP 67 Ca 0.11 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1swh n ASP 67 Cb 0.40 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1swh n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swh n GLY 68 N 0.05 0.51 3.79 6.12 0.00 -1.26 -5.02 105.19 109.37 1swh n GLY 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1swh n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swh s SER 69 N -2.11 5.24 0.93 1.61 0.01 -1.26 -5.05 113.70 113.07 1swh s SER 69 Ca 0.00 1.85 -0.13 0.00 1.31 0.00 0.00 55.95 58.98 1swh s SER 69 Cb 0.00 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.90 1swh s SER 69 CO 0.00 -1.54 1.27 -0.83 0.41 0.00 0.00 173.24 172.55 1swh s GLY 70 N -3.01 1.80 -0.29 3.44 0.00 -1.26 -4.80 107.32 103.19 1swh s GLY 70 Ca 0.63 -1.41 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 1swh s GLY 70 CO 0.45 -0.64 0.12 -1.59 0.00 0.00 0.00 173.10 171.44 1swh s THR 71 N -3.77 4.40 0.23 0.90 2.01 -0.39 -4.75 115.64 114.28 1swh s THR 71 Ca 0.74 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1swh s THR 71 Cb -0.03 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 1swh s THR 71 CO 0.52 0.13 1.22 0.00 -0.69 0.00 0.00 174.62 175.80 1swh s ALA 72 N 1.59 3.46 0.30 7.40 0.00 -1.26 -0.44 121.76 132.81 1swh s ALA 72 Ca 0.05 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 1swh s ALA 72 Cb -0.17 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1swh s ALA 72 CO 0.05 -0.42 0.51 -0.48 0.00 0.00 0.00 175.76 175.42 1swh s LEU 73 N -0.74 0.56 0.12 0.00 0.05 -0.70 -0.78 118.68 117.18 1swh s LEU 73 Ca 0.51 -1.18 -0.25 0.00 0.05 0.00 0.00 54.13 53.27 1swh s LEU 73 Cb -0.35 1.76 0.08 0.00 -2.05 0.00 0.00 46.19 45.63 1swh s LEU 73 CO 0.41 -1.26 0.70 -0.83 -0.55 0.00 0.00 176.35 174.81 1swh s GLY 74 N -3.11 -0.54 0.23 -3.48 0.00 -0.41 -1.30 107.32 98.71 1swh s GLY 74 Ca 0.25 0.59 -0.18 0.00 0.00 0.00 0.00 44.72 45.38 1swh s GLY 74 CO 0.14 0.19 0.57 0.66 0.00 0.00 0.00 173.10 174.66 1swh s TRP 75 N -3.57 -0.06 -0.01 1.90 -2.14 -0.54 -1.08 118.94 113.44 1swh s TRP 75 Ca 0.03 -0.31 0.04 0.00 2.66 0.00 0.00 56.10 58.51 1swh s TRP 75 Cb -0.01 0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 30.80 1swh s TRP 75 CO -0.11 -1.02 -0.12 0.99 -2.66 0.00 0.00 176.95 174.04 1swh s THR 76 N -3.91 0.93 -0.11 0.66 2.01 0.04 -0.90 115.64 114.36 1swh s THR 76 Ca 0.12 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1swh s THR 76 Cb -0.02 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.72 1swh s THR 76 CO 0.02 0.27 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 1swh s VAL 77 N -0.25 1.61 -0.18 3.82 1.01 0.10 -2.38 120.40 124.13 1swh s VAL 77 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1swh s VAL 77 Cb -0.05 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1swh s VAL 77 CO -0.00 0.46 0.27 0.00 0.00 0.00 0.00 175.10 175.82 1swh s ALA 78 N 0.83 3.60 -1.41 5.51 0.00 -1.26 -0.24 121.76 128.78 1swh s ALA 78 Ca -0.10 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1swh s ALA 78 Cb -0.16 -2.38 0.07 0.00 0.00 0.00 0.00 23.12 20.65 1swh s ALA 78 CO 0.01 0.02 2.24 1.19 0.00 0.00 0.00 175.76 179.21 1swh n PHE 79 N 3.77 3.08 -3.75 0.00 3.72 0.22 -4.78 117.46 119.73 1swh n PHE 79 Ca -0.12 -2.92 -0.14 0.00 -0.05 0.00 0.00 57.45 54.21 1swh n PHE 79 Cb 0.52 -2.28 -0.15 0.00 -0.94 0.00 0.00 39.48 36.62 1swh n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1swh s LYS 80 N 1.72 0.04 0.00 -1.08 2.20 -1.26 -0.15 119.74 121.21 1swh s LYS 80 Ca 0.49 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1swh s LYS 80 Cb 0.14 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1swh s LYS 80 CO -0.06 -0.18 0.00 0.27 -0.36 0.00 0.00 175.35 175.02 1swh n ASN 81 N 4.30 0.23 0.07 1.43 0.23 -0.13 -4.78 115.26 116.61 1swh n ASN 81 Ca -0.25 -0.85 0.08 0.00 -0.53 0.00 0.00 54.58 53.02 1swh n ASN 81 Cb 0.51 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.56 1swh n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swh n ASN 82 N -2.36 0.31 -0.00 0.53 3.02 -1.26 -3.32 115.26 112.17 1swh n ASN 82 Ca 0.00 0.60 0.03 0.00 -0.03 0.00 0.00 54.58 55.19 1swh n ASN 82 Cb 0.00 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.46 1swh n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swh n TYR 83 N -1.87 0.00 -3.56 3.10 4.01 -1.26 -5.07 117.16 112.50 1swh n TYR 83 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 1swh n TYR 83 Cb 0.11 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1swh n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swh s ARG 84 N -2.29 1.25 -0.19 -0.72 1.70 -1.21 -5.12 118.95 112.37 1swh s ARG 84 Ca -0.01 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.66 1swh s ARG 84 Cb 0.05 0.52 0.08 0.00 -0.57 0.00 0.00 34.95 35.02 1swh s ARG 84 CO 0.29 -0.56 0.17 1.21 -1.08 0.00 0.00 175.30 175.33 1swh s ASN 85 N -2.74 1.72 0.00 -2.89 3.84 -1.26 -0.96 114.94 112.65 1swh s ASN 85 Ca 0.05 -0.36 0.28 0.00 0.21 0.00 0.00 52.86 53.05 1swh s ASN 85 Cb -0.02 0.15 1.07 0.00 -0.55 0.00 0.00 41.25 41.90 1swh s ASN 85 CO -0.06 -0.33 1.76 0.00 -2.79 0.00 0.00 177.10 175.67 1swh n ALA 86 N 5.30 2.82 -3.76 1.71 0.00 0.79 -4.94 120.51 122.44 1swh n ALA 86 Ca -0.06 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 1swh n ALA 86 Cb 0.49 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1swh n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swh n HIS 87 N -0.58 -2.06 -3.98 0.00 8.25 -1.25 -4.89 115.22 110.71 1swh n HIS 87 Ca 0.15 0.87 -0.09 0.00 -0.26 0.00 0.00 57.72 58.39 1swh n HIS 87 Cb 0.31 -4.29 -0.10 0.00 1.12 0.00 0.00 29.99 27.02 1swh n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1swh s SER 88 N -4.02 0.25 -0.01 0.41 0.01 -1.26 -2.28 113.70 106.80 1swh s SER 88 Ca 0.22 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1swh s SER 88 Cb -0.11 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1swh s SER 88 CO 0.81 -0.39 -0.01 0.00 0.41 0.00 0.00 173.24 174.06 1swh s ALA 89 N -2.07 0.14 -0.09 1.44 0.00 0.03 -0.61 121.76 120.60 1swh s ALA 89 Ca -0.10 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1swh s ALA 89 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1swh s ALA 89 CO -0.03 -0.00 -0.13 0.99 0.00 0.00 0.00 175.76 176.59 1swh s THR 90 N 0.24 3.10 -0.06 0.00 2.01 0.66 -1.12 115.64 120.48 1swh s THR 90 Ca -0.02 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.35 1swh s THR 90 Cb -0.04 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1swh s THR 90 CO -0.01 0.56 -0.21 0.42 -0.69 0.00 0.00 174.62 174.69 1swh s THR 91 N -0.22 2.41 -0.14 -0.82 -4.23 -0.16 -0.72 115.64 111.76 1swh s THR 91 Ca 0.01 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1swh s THR 91 Cb -0.13 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 1swh s THR 91 CO 0.03 0.57 -0.08 0.26 -0.54 0.00 0.00 174.62 174.86 1swh s TRP 92 N -0.29 2.93 -0.10 3.99 0.51 -0.08 -1.82 118.94 124.09 1swh s TRP 92 Ca 0.01 -0.41 0.02 0.00 -2.12 0.00 0.00 56.10 53.60 1swh s TRP 92 Cb -0.13 -1.89 0.01 0.00 -0.81 0.00 0.00 33.47 30.65 1swh s TRP 92 CO 0.03 -0.07 -0.16 0.45 -0.51 0.00 0.00 176.95 176.68 1swh s SER 93 N 0.26 2.40 0.00 2.95 0.15 0.25 -1.47 113.70 118.24 1swh s SER 93 Ca -0.06 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1swh s SER 93 Cb -0.15 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1swh s SER 93 CO 0.04 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1swh n GLY 94 N 3.96 1.47 3.12 9.45 0.00 -0.42 -1.23 105.19 121.54 1swh n GLY 94 Ca -0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1swh n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swh s GLN 95 N 1.51 0.43 -0.08 1.61 -2.07 -0.38 -1.73 119.66 118.95 1swh s GLN 95 Ca 0.00 -0.14 -0.26 0.00 -1.82 0.00 0.00 55.36 53.13 1swh s GLN 95 Cb 0.00 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 1swh s GLN 95 CO 0.00 -0.10 0.84 -0.47 -1.32 0.00 0.00 175.29 174.25 1swh s TYR 96 N -0.88 3.55 -0.26 9.60 5.04 0.41 -1.54 117.35 133.27 1swh s TYR 96 Ca -0.10 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1swh s TYR 96 Cb -0.05 -2.99 0.03 0.00 0.35 0.00 0.00 41.96 39.30 1swh s TYR 96 CO 0.02 -0.07 -0.05 0.08 -1.34 0.00 0.00 175.55 174.19 1swh s VAL 97 N 1.37 2.90 0.54 3.14 1.01 0.18 -1.26 120.40 128.28 1swh s VAL 97 Ca 0.43 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1swh s VAL 97 Cb -0.18 -2.50 0.13 0.00 0.00 0.00 0.00 36.38 33.82 1swh s VAL 97 CO 0.19 0.15 0.66 0.61 0.00 0.00 0.00 175.10 176.71 1swh n GLY 98 N 4.66 -1.66 0.00 4.51 0.00 -1.26 -0.45 105.19 110.99 1swh n GLY 98 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1swh n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swh n GLY 99 N 0.03 0.20 0.15 -0.02 0.00 -1.26 -4.31 105.19 99.98 1swh n GLY 99 Ca 0.08 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 1swh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swh h ALA 100 N 0.00 -0.05 -1.03 4.61 0.00 -2.06 -3.25 119.26 117.49 1swh h ALA 100 Ca 0.00 -0.83 -0.77 0.00 0.00 0.00 0.00 54.91 53.31 1swh h ALA 100 Cb 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 17.79 17.63 1swh h ALA 100 CO 0.00 0.75 1.02 -1.91 0.00 0.00 0.00 179.25 179.10 1swh n GLU 101 N -3.71 2.89 -1.57 0.00 4.07 -1.26 -5.01 120.64 116.05 1swh n GLU 101 Ca -0.14 -3.60 -0.49 0.00 -0.06 0.00 0.00 57.16 52.87 1swh n GLU 101 Cb 1.04 -2.28 -0.04 0.00 -0.06 0.00 0.00 31.44 30.11 1swh n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swh n ALA 102 N -0.52 -0.95 -3.14 4.31 0.00 -1.23 -4.90 120.51 114.08 1swh n ALA 102 Ca 0.53 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 54.31 1swh n ALA 102 Cb 0.24 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 1swh n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swh s ARG 103 N -0.46 0.64 -0.21 0.00 0.52 0.40 -4.20 118.95 115.64 1swh s ARG 103 Ca 0.73 -0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 55.58 1swh s ARG 103 Cb -0.86 0.28 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1swh s ARG 103 CO 0.53 -0.18 -0.09 0.42 0.02 0.00 0.00 175.30 176.00 1swh s ILE 104 N -1.61 2.97 -0.25 1.52 1.01 -0.15 0.48 121.20 125.18 1swh s ILE 104 Ca -0.12 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1swh s ILE 104 Cb -0.05 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1swh s ILE 104 CO 0.02 0.46 0.21 0.20 0.00 0.00 0.00 174.94 175.82 1swh s ASN 105 N 1.42 6.13 0.15 3.58 0.01 -0.59 0.37 114.94 126.02 1swh s ASN 105 Ca 0.05 0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.38 1swh s ASN 105 Cb -0.14 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1swh s ASN 105 CO -0.06 0.00 -0.10 0.42 -1.51 0.00 0.00 177.10 175.85 1swh s THR 106 N 1.35 1.16 0.17 1.60 -4.23 0.16 -1.25 115.64 114.60 1swh s THR 106 Ca 0.09 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1swh s THR 106 Cb -0.14 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1swh s THR 106 CO 0.07 -0.72 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.26 1swh s GLN 107 N -3.75 2.17 0.05 3.99 -0.21 -0.37 -1.25 119.66 120.29 1swh s GLN 107 Ca 0.17 -1.20 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 1swh s GLN 107 Cb 0.03 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.77 1swh s GLN 107 CO 0.01 0.45 -0.01 1.67 -2.12 0.00 0.00 175.29 175.29 1swh s TRP 108 N -1.68 0.46 -0.12 0.91 1.48 0.51 -0.58 118.94 119.93 1swh s TRP 108 Ca 0.25 -0.98 0.00 0.00 -1.06 0.00 0.00 56.10 54.31 1swh s TRP 108 Cb -0.09 -0.34 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 1swh s TRP 108 CO 0.16 -0.39 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.04 1swh s LEU 109 N -2.83 1.46 -0.25 -4.66 1.43 -0.76 -0.61 118.68 112.47 1swh s LEU 109 Ca 0.05 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1swh s LEU 109 Cb 0.07 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1swh s LEU 109 CO -0.10 -0.07 -0.01 -0.22 0.23 0.00 0.00 176.35 176.19 1swh s LEU 110 N 1.44 3.29 -0.11 1.79 2.96 -0.22 -0.99 118.68 126.84 1swh s LEU 110 Ca 0.02 -0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1swh s LEU 110 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1swh s LEU 110 CO -0.07 -0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.87 1swh s THR 111 N 1.43 3.44 -0.09 3.68 2.01 -0.28 -0.41 115.64 125.43 1swh s THR 111 Ca 0.03 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1swh s THR 111 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1swh s THR 111 CO -0.02 0.54 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.99 1swh s SER 112 N -0.07 5.00 0.33 3.53 0.01 -0.67 -0.79 113.70 121.04 1swh s SER 112 Ca -0.01 0.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 1swh s SER 112 Cb -0.14 -1.42 -0.11 0.00 0.21 0.00 0.00 66.02 64.57 1swh s SER 112 CO 0.03 0.35 1.49 -0.83 0.41 0.00 0.00 173.24 174.69 1swh s GLY 113 N -0.69 2.59 -0.01 3.44 0.00 -0.97 -4.80 107.32 106.88 1swh s GLY 113 Ca 0.11 1.50 -0.17 0.00 0.00 0.00 0.00 44.72 46.17 1swh s GLY 113 CO 0.02 2.32 0.35 -0.51 0.00 0.00 0.00 173.10 175.28 1swh s THR 114 N -0.60 0.05 0.97 0.90 -4.23 -1.26 -5.03 115.64 106.44 1swh s THR 114 Ca 0.57 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1swh s THR 114 Cb -0.45 -0.68 0.17 0.00 1.34 0.00 0.00 72.50 72.88 1swh s THR 114 CO 0.54 -0.24 1.10 0.42 -0.54 0.00 0.00 174.62 175.90 1swh s THR 115 N -1.41 2.16 0.44 3.99 -4.23 -1.26 -4.87 115.64 110.46 1swh s THR 115 Ca -0.13 0.05 0.27 0.00 -1.18 0.00 0.00 61.69 60.71 1swh s THR 115 Cb -0.04 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.52 1swh s THR 115 CO 0.04 -0.07 2.09 -0.33 -0.54 0.00 0.00 174.62 175.82 1swh h GLU 116 N -1.80 0.00 0.00 3.99 5.08 -2.02 -2.38 114.58 117.44 1swh h GLU 116 Ca -0.53 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 1swh h GLU 116 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1swh h GLU 116 CO 0.58 0.11 -0.42 0.00 -1.00 0.00 0.00 179.01 178.28 1swh h ALA 117 N 1.89 1.15 -0.42 3.43 0.00 -2.07 -3.18 119.26 120.07 1swh h ALA 117 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1swh h ALA 117 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1swh h ALA 117 CO 0.01 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.87 1swh n ASN 118 N -3.81 3.76 0.19 0.00 3.02 -0.91 -4.66 115.26 112.86 1swh n ASN 118 Ca -0.01 -2.43 0.03 0.00 -0.03 0.00 0.00 54.58 52.14 1swh n ASN 118 Cb 0.48 -0.43 0.39 0.00 -0.61 0.00 0.00 39.78 39.61 1swh n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swh h ALA 119 N 2.60 1.45 -0.24 5.41 0.00 -1.52 -2.06 119.26 124.90 1swh h ALA 119 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1swh h ALA 119 Cb 1.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1swh h ALA 119 CO 0.13 0.41 0.23 0.11 0.00 0.00 0.00 179.25 180.14 1swh h TRP 120 N 0.00 0.00 -0.28 0.00 5.08 -1.85 -2.19 115.95 116.72 1swh h TRP 120 Ca -0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 1swh h TRP 120 Cb 0.59 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.68 1swh h TRP 120 CO 0.00 0.00 -0.09 0.36 -1.28 0.00 0.00 178.44 177.43 1swh n LYS 121 N -3.97 1.99 0.12 0.12 2.85 -0.78 -4.63 118.16 113.86 1swh n LYS 121 Ca 0.03 -3.09 0.06 0.00 -1.05 0.00 0.00 58.31 54.27 1swh n LYS 121 Cb 0.37 -1.79 0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1swh n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swh h SER 122 N 1.09 0.00 -3.16 -5.58 4.64 -1.38 -3.46 113.55 105.70 1swh h SER 122 Ca 0.15 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.79 1swh h SER 122 Cb 1.52 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.27 1swh h SER 122 CO 0.30 0.28 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.79 1swh s THR 123 N -3.11 2.12 0.07 2.95 2.01 -1.26 -1.66 115.64 116.75 1swh s THR 123 Ca 0.01 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 1swh s THR 123 Cb 0.08 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 1swh s THR 123 CO 0.76 0.54 0.45 -0.76 -0.69 0.00 0.00 174.62 174.93 1swh s LEU 124 N 1.00 4.40 0.11 4.42 1.43 0.45 -4.94 118.68 125.57 1swh s LEU 124 Ca -0.02 0.95 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 1swh s LEU 124 Cb -0.15 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1swh s LEU 124 CO -0.06 0.21 -0.25 0.54 0.23 0.00 0.00 176.35 177.02 1swh s VAL 125 N -1.29 2.08 0.00 -1.59 0.11 -1.26 -1.06 120.40 117.39 1swh s VAL 125 Ca 0.31 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1swh s VAL 125 Cb -0.15 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 1swh s VAL 125 CO 0.17 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1swh n GLY 126 N 1.04 1.69 3.11 6.54 0.00 0.22 -4.99 105.19 112.81 1swh n GLY 126 Ca -0.18 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1swh n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swh s HIS 127 N -5.10 0.75 -0.06 1.61 -3.43 -1.26 -0.36 115.29 107.43 1swh s HIS 127 Ca 0.00 -0.74 -0.14 0.00 -0.80 0.00 0.00 55.06 53.38 1swh s HIS 127 Cb 0.00 -0.45 0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1swh s HIS 127 CO 0.00 -0.14 0.34 0.34 -2.00 0.00 0.00 174.74 173.28 1swh s ASP 128 N -2.37 -0.28 -0.09 7.38 -1.08 -0.38 -4.93 116.67 114.92 1swh s ASP 128 Ca 0.01 0.35 0.04 0.00 -0.52 0.00 0.00 52.55 52.43 1swh s ASP 128 Cb -0.01 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1swh s ASP 128 CO -0.03 -0.33 -0.22 -0.89 0.52 0.00 0.00 175.17 174.23 1swh s THR 129 N -0.74 1.89 -0.10 1.71 2.01 -1.26 -0.67 115.64 118.48 1swh s THR 129 Ca -0.08 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1swh s THR 129 Cb -0.04 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1swh s THR 129 CO 0.03 0.52 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.09 1swh s PHE 130 N 0.39 3.04 0.22 4.92 0.08 0.16 -4.07 117.98 122.72 1swh s PHE 130 Ca -0.18 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 56.91 1swh s PHE 130 Cb -0.18 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1swh s PHE 130 CO 0.08 0.24 -0.14 0.95 -0.10 0.00 0.00 175.22 176.25 1swh s THR 131 N -0.41 1.82 -0.68 0.64 -4.23 0.14 -0.97 115.64 111.95 1swh s THR 131 Ca 0.07 -2.23 0.25 0.00 -1.18 0.00 0.00 61.69 58.60 1swh s THR 131 Cb -0.12 -2.13 0.19 0.00 1.34 0.00 0.00 72.50 71.78 1swh s THR 131 CO 0.02 -0.54 1.58 0.29 -0.54 0.00 0.00 174.62 175.43 1swh n LYS 132 N -0.44 0.28 0.00 3.99 5.02 -1.26 -0.49 118.16 125.27 1swh n LYS 132 Ca -0.07 0.17 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1swh n LYS 132 Cb 0.61 -1.76 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1swh n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16