#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swl n ILE 17 N 0.00 1.65 -1.63 -0.61 5.41 -1.26 -4.92 119.36 118.00 1swl n ILE 17 Ca 0.00 -0.56 -0.48 0.00 1.00 0.00 0.00 62.75 62.71 1swl n ILE 17 Cb 0.00 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.22 1swl n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1swl n THR 18 N -3.54 0.39 0.00 1.39 -1.04 -1.26 -4.77 114.28 105.45 1swl n THR 18 Ca -0.38 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1swl n THR 18 Cb 0.99 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1swl n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swl n GLY 19 N 2.59 0.80 3.61 3.41 0.00 0.03 -4.99 105.19 110.64 1swl n GLY 19 Ca 0.16 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1swl n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swl s THR 20 N -3.04 4.64 0.12 2.61 2.01 -1.26 -0.79 115.64 119.92 1swl s THR 20 Ca 0.00 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1swl s THR 20 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1swl s THR 20 CO 0.00 0.47 -0.22 0.26 -0.69 0.00 0.00 174.62 174.44 1swl s TRP 21 N 0.38 1.91 -0.01 4.92 0.52 0.18 -4.52 118.94 122.32 1swl s TRP 21 Ca 0.02 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.76 1swl s TRP 21 Cb -0.13 -1.03 -0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1swl s TRP 21 CO 0.01 0.25 -0.10 0.71 0.02 0.00 0.00 176.95 177.83 1swl s TYR 22 N -1.24 0.98 0.15 -1.98 2.02 0.09 -1.61 117.35 115.76 1swl s TYR 22 Ca 0.09 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1swl s TYR 22 Cb -0.10 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 40.84 1swl s TYR 22 CO 0.05 -0.04 0.20 0.27 -1.57 0.00 0.00 175.55 174.45 1swl n ASN 23 N 2.96 0.58 -1.33 2.29 6.94 -0.99 -1.20 115.26 124.50 1swl n ASN 23 Ca -0.15 -1.39 0.11 0.00 -0.02 0.00 0.00 54.58 53.13 1swl n ASN 23 Cb 0.56 -0.10 0.32 0.00 -2.36 0.00 0.00 39.78 38.19 1swl n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swl n GLN 24 N -1.29 2.75 -0.56 -3.83 0.00 -1.26 -4.01 117.38 109.18 1swl n GLN 24 Ca 0.04 -2.56 0.03 0.00 0.00 0.00 0.00 57.00 54.51 1swl n GLN 24 Cb 0.15 -1.59 0.20 0.00 0.00 0.00 0.00 30.24 29.01 1swl n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swl n LEU 25 N 1.51 3.39 -1.76 2.61 4.77 -1.26 -4.96 117.00 121.30 1swl n LEU 25 Ca 0.24 -3.56 -0.07 0.00 -0.03 0.00 0.00 56.01 52.59 1swl n LEU 25 Cb 0.63 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1swl n LEU 25 CO 0.17 1.10 0.05 0.61 -1.33 0.00 0.00 177.39 178.00 1swl n GLY 26 N -1.08 0.25 3.26 -0.72 0.00 -1.26 -5.06 105.19 100.58 1swl n GLY 26 Ca 0.24 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1swl n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swl s SER 27 N -3.36 2.33 -0.01 1.61 0.01 -1.26 -5.03 113.70 108.00 1swl s SER 27 Ca 0.07 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.68 1swl s SER 27 Cb -0.03 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 1swl s SER 27 CO 0.26 0.03 -0.06 -0.89 0.41 0.00 0.00 173.24 172.98 1swl s THR 28 N -1.18 0.49 0.00 1.44 2.01 -0.40 -2.35 115.64 115.65 1swl s THR 28 Ca 0.04 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1swl s THR 28 Cb -0.10 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1swl s THR 28 CO 0.04 0.14 -0.10 0.72 -0.69 0.00 0.00 174.62 174.73 1swl s PHE 29 N -0.09 0.89 -0.26 4.92 -0.71 -0.63 0.17 117.98 122.27 1swl s PHE 29 Ca 0.02 -0.20 -0.05 0.00 -1.04 0.00 0.00 56.93 55.65 1swl s PHE 29 Cb -0.03 -0.56 0.00 0.00 -1.21 0.00 0.00 43.02 41.22 1swl s PHE 29 CO -0.00 -0.01 0.02 0.42 -1.34 0.00 0.00 175.22 174.31 1swl s ILE 30 N -0.37 3.65 0.20 -4.49 -1.09 -1.01 0.52 121.20 118.61 1swl s ILE 30 Ca 0.03 -0.65 0.10 0.00 -2.23 0.00 0.00 60.65 57.90 1swl s ILE 30 Cb -0.05 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1swl s ILE 30 CO -0.00 0.21 -0.21 0.68 -1.23 0.00 0.00 174.94 174.39 1swl s VAL 31 N 1.47 2.18 -0.13 2.92 -7.23 0.02 -1.94 120.40 117.69 1swl s VAL 31 Ca 0.03 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1swl s VAL 31 Cb -0.16 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1swl s VAL 31 CO -0.00 -0.26 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.45 1swl s THR 32 N -2.02 1.85 -0.48 5.32 2.01 -0.09 -0.79 115.64 121.44 1swl s THR 32 Ca 0.21 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1swl s THR 32 Cb -0.06 -1.66 0.10 0.00 0.01 0.00 0.00 72.50 70.89 1swl s THR 32 CO 0.10 0.51 0.40 0.00 -0.69 0.00 0.00 174.62 174.93 1swl s ALA 33 N 0.92 3.52 0.89 7.40 0.00 -1.26 -2.00 121.76 131.23 1swl s ALA 33 Ca -0.06 -2.31 -0.11 0.00 0.00 0.00 0.00 51.96 49.48 1swl s ALA 33 Cb -0.15 -3.03 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1swl s ALA 33 CO -0.03 -1.83 1.09 0.20 0.00 0.00 0.00 175.76 175.20 1swl s GLY 34 N 2.84 1.64 0.33 0.00 0.00 -0.16 -4.90 107.32 107.07 1swl s GLY 34 Ca 0.04 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1swl s GLY 34 CO 0.04 0.58 1.97 0.00 0.00 0.00 0.00 173.10 175.68 1swl h ALA 35 N -1.58 1.56 -2.98 3.20 0.00 -1.98 -3.19 119.26 114.28 1swl h ALA 35 Ca -0.48 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 53.70 1swl h ALA 35 Cb 1.27 -0.26 -0.36 0.00 0.00 0.00 0.00 17.79 18.44 1swl h ALA 35 CO 0.51 0.36 -0.24 0.34 0.00 0.00 0.00 179.25 180.22 1swl s ASP 36 N -6.26 5.59 0.00 0.00 -1.08 -1.26 -4.89 116.67 108.77 1swl s ASP 36 Ca -0.11 -3.48 0.00 0.00 -0.52 0.00 0.00 52.55 48.45 1swl s ASP 36 Cb 0.19 -1.85 0.00 0.00 -1.46 0.00 0.00 42.92 39.79 1swl s ASP 36 CO 0.78 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.85 1swl n GLY 37 N 2.63 0.00 3.80 2.66 0.00 -1.20 -4.95 105.19 108.13 1swl n GLY 37 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1swl n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swl s ALA 38 N -0.84 3.16 -0.09 4.61 0.00 -1.26 -0.64 121.76 126.70 1swl s ALA 38 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 1swl s ALA 38 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1swl s ALA 38 CO 0.00 0.17 -0.05 -0.51 0.00 0.00 0.00 175.76 175.37 1swl s LEU 39 N -2.52 1.04 -0.00 0.00 1.02 -0.88 -0.99 118.68 116.34 1swl s LEU 39 Ca 0.54 -0.22 -0.02 0.00 0.02 0.00 0.00 54.13 54.45 1swl s LEU 39 Cb -0.14 -0.69 -0.00 0.00 0.02 0.00 0.00 46.19 45.37 1swl s LEU 39 CO 0.19 -0.13 0.04 0.42 0.02 0.00 0.00 176.35 176.89 1swl s THR 40 N 1.68 0.04 -0.09 5.49 -4.23 -0.85 -1.73 115.64 115.95 1swl s THR 40 Ca 0.03 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1swl s THR 40 Cb -0.13 -0.18 0.00 0.00 1.34 0.00 0.00 72.50 73.53 1swl s THR 40 CO -0.06 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1swl n GLY 41 N 2.40 -0.63 3.00 3.99 0.00 -0.96 -0.92 105.19 112.07 1swl n GLY 41 Ca -0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1swl n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swl s THR 42 N -3.30 0.66 -0.25 2.61 -4.23 -0.82 -2.15 115.64 108.16 1swl s THR 42 Ca 0.00 -0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 60.07 1swl s THR 42 Cb 0.00 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 1swl s THR 42 CO 0.00 0.19 0.13 -0.47 -0.54 0.00 0.00 174.62 173.94 1swl s TYR 43 N -0.09 3.20 0.00 3.99 6.14 0.32 -2.41 117.35 128.49 1swl s TYR 43 Ca 0.02 -0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.70 1swl s TYR 43 Cb -0.04 -2.28 0.00 0.00 0.42 0.00 0.00 41.96 40.06 1swl s TYR 43 CO -0.00 -0.14 0.00 -0.85 0.64 0.00 0.00 175.55 175.20 1swl n GLU 44 N 4.69 2.84 -0.29 4.97 -0.00 0.13 -0.29 120.64 132.68 1swl n GLU 44 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1swl n GLU 44 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1swl n GLU 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1swl n ASN 49 N -0.51 0.00 -0.27 -1.84 6.94 -1.26 -1.28 115.26 117.04 1swl n ASN 49 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 54.58 54.71 1swl n ASN 49 Cb 0.00 -0.44 0.42 0.00 -2.36 0.00 0.00 39.78 37.40 1swl n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swl h ALA 50 N 0.16 1.94 0.00 -2.53 0.00 -2.04 0.23 119.26 117.02 1swl h ALA 50 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1swl h ALA 50 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1swl h ALA 50 CO 0.00 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.42 1swl n GLU 51 N -4.58 0.09 -0.21 0.00 4.71 -1.26 -2.19 120.64 117.21 1swl n GLU 51 Ca 0.19 0.28 0.08 0.00 -0.01 0.00 0.00 57.16 57.70 1swl n GLU 51 Cb 0.57 -1.66 0.19 0.00 -1.01 0.00 0.00 31.44 29.53 1swl n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1swl n SER 52 N -1.83 3.16 -4.76 1.62 7.64 0.79 -4.85 113.62 115.38 1swl n SER 52 Ca 0.04 -1.94 -0.35 0.00 1.01 0.00 0.00 58.87 57.62 1swl n SER 52 Cb 0.24 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1swl n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1swl s ARG 53 N -1.06 4.05 0.08 1.43 3.52 -0.93 -4.24 118.95 121.79 1swl s ARG 53 Ca 0.31 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.76 1swl s ARG 53 Cb 0.17 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1swl s ARG 53 CO 0.22 0.39 -0.13 0.71 -0.81 0.00 0.00 175.30 175.69 1swl s TYR 54 N 0.10 1.12 0.16 5.12 1.51 0.60 -4.75 117.35 121.20 1swl s TYR 54 Ca 0.10 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1swl s TYR 54 Cb -0.11 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 41.04 1swl s TYR 54 CO -0.01 0.03 0.96 0.08 -1.11 0.00 0.00 175.55 175.51 1swl s VAL 55 N -1.56 4.34 0.22 0.71 1.01 -1.26 0.12 120.40 123.97 1swl s VAL 55 Ca -0.01 2.07 0.10 0.00 0.00 0.00 0.00 61.98 64.13 1swl s VAL 55 Cb -0.08 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1swl s VAL 55 CO 0.02 0.38 -0.19 -1.48 0.00 0.00 0.00 175.10 173.83 1swl s LEU 56 N -0.40 2.52 -0.21 3.92 0.05 -0.91 -4.42 118.68 119.23 1swl s LEU 56 Ca 0.45 -0.96 -0.25 0.00 0.05 0.00 0.00 54.13 53.42 1swl s LEU 56 Cb -0.24 -0.93 0.07 0.00 -2.05 0.00 0.00 46.19 43.03 1swl s LEU 56 CO 0.31 -0.02 0.66 0.28 -0.55 0.00 0.00 176.35 177.03 1swl s THR 57 N -2.38 0.00 0.00 5.48 -1.32 -0.97 -2.25 115.64 114.20 1swl s THR 57 Ca 0.23 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1swl s THR 57 Cb -0.05 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1swl s THR 57 CO 0.10 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1swl n GLY 58 N 2.32 2.15 3.05 6.08 0.00 -0.71 -0.99 105.19 117.09 1swl n GLY 58 Ca -0.15 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1swl n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swl s ARG 59 N -1.07 0.49 0.05 1.61 1.81 -0.36 -2.06 118.95 119.41 1swl s ARG 59 Ca 0.00 -0.90 -0.02 0.00 -1.72 0.00 0.00 55.73 53.09 1swl s ARG 59 Cb 0.00 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1swl s ARG 59 CO 0.00 -0.05 -0.00 1.52 -0.68 0.00 0.00 175.30 176.09 1swl s TYR 60 N -2.47 0.41 -0.39 -0.53 1.13 0.19 -1.06 117.35 114.63 1swl s TYR 60 Ca -0.05 -0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 54.45 1swl s TYR 60 Cb -0.03 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.54 1swl s TYR 60 CO -0.04 -0.35 1.42 0.34 -2.51 0.00 0.00 175.55 174.41 1swl s ASP 61 N -2.56 6.36 0.00 -0.18 2.15 -0.35 -4.20 116.67 117.89 1swl s ASP 61 Ca 0.01 0.91 0.29 0.00 0.43 0.00 0.00 52.55 54.19 1swl s ASP 61 Cb 0.03 -2.54 1.24 0.00 -0.30 0.00 0.00 42.92 41.35 1swl s ASP 61 CO -0.08 -1.40 1.86 -1.54 -0.17 0.00 0.00 175.17 173.85 1swl n SER 62 N 8.73 0.50 -3.15 -0.34 3.41 -1.26 -4.16 113.62 117.35 1swl n SER 62 Ca 0.17 -0.63 -0.21 0.00 -0.26 0.00 0.00 58.87 57.93 1swl n SER 62 Cb 0.48 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1swl n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swl n ALA 63 N -0.91 2.03 -1.56 7.33 0.00 -1.26 -5.00 120.51 121.14 1swl n ALA 63 Ca 0.15 -3.24 -0.30 0.00 0.00 0.00 0.00 53.44 50.05 1swl n ALA 63 Cb 0.27 -0.88 0.10 0.00 0.00 0.00 0.00 19.45 18.95 1swl n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swl s PRO 64 N -1.35 1.86 0.80 0.00 0.04 -1.26 -5.02 135.00 130.07 1swl s PRO 64 Ca 0.36 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 1swl s PRO 64 Cb 0.22 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.94 1swl s PRO 64 CO -0.11 -1.75 1.17 0.00 0.04 0.00 0.00 177.00 176.35 1swl s ALA 65 N -3.20 1.92 -0.99 8.56 0.00 -1.26 -4.95 121.76 121.85 1swl s ALA 65 Ca 0.61 0.69 0.16 0.00 0.00 0.00 0.00 51.96 53.42 1swl s ALA 65 Cb -0.14 -3.43 0.51 0.00 0.00 0.00 0.00 23.12 20.06 1swl s ALA 65 CO 0.54 -2.15 1.43 0.25 0.00 0.00 0.00 175.76 175.83 1swl n THR 66 N -3.34 1.47 1.66 0.00 -2.24 -1.26 -4.52 114.28 106.05 1swl n THR 66 Ca 0.12 -1.22 0.06 0.00 -2.27 0.00 0.00 64.05 60.75 1swl n THR 66 Cb 0.51 0.26 0.28 0.00 -2.10 0.00 0.00 70.33 69.28 1swl n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swl n ASP 67 N 0.66 0.64 0.00 3.42 5.68 -1.26 -4.82 116.55 120.86 1swl n ASP 67 Ca 0.19 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1swl n ASP 67 Cb 0.67 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1swl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swl n GLY 68 N 0.81 0.68 3.81 6.12 0.00 -1.26 -5.05 105.19 110.29 1swl n GLY 68 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1swl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swl s SER 69 N -2.92 5.31 0.96 1.61 0.01 -1.26 -5.05 113.70 112.36 1swl s SER 69 Ca 0.00 1.70 -0.16 0.00 1.31 0.00 0.00 55.95 58.80 1swl s SER 69 Cb 0.00 -2.51 0.20 0.00 0.21 0.00 0.00 66.02 63.92 1swl s SER 69 CO 0.00 -1.49 1.32 -0.83 0.41 0.00 0.00 173.24 172.64 1swl s GLY 70 N -3.51 1.78 -0.40 3.44 0.00 -1.26 -4.86 107.32 102.51 1swl s GLY 70 Ca 0.60 -1.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 1swl s GLY 70 CO 0.51 -0.42 0.27 -1.59 0.00 0.00 0.00 173.10 171.87 1swl s THR 71 N -3.87 4.90 0.32 0.90 2.01 -0.63 -4.81 115.64 114.46 1swl s THR 71 Ca 0.74 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1swl s THR 71 Cb -0.04 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 1swl s THR 71 CO 0.53 -0.32 1.38 0.00 -0.69 0.00 0.00 174.62 175.52 1swl s ALA 72 N 1.61 3.55 0.19 7.40 0.00 -1.26 -1.27 121.76 131.97 1swl s ALA 72 Ca 0.03 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1swl s ALA 72 Cb -0.20 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.43 1swl s ALA 72 CO 0.08 -0.76 0.52 -0.48 0.00 0.00 0.00 175.76 175.12 1swl s LEU 73 N -1.47 0.06 0.16 0.00 0.05 -0.83 -1.22 118.68 115.42 1swl s LEU 73 Ca 0.52 -0.42 -0.23 0.00 0.05 0.00 0.00 54.13 54.05 1swl s LEU 73 Cb -0.42 2.15 0.07 0.00 -2.05 0.00 0.00 46.19 45.94 1swl s LEU 73 CO 0.52 -1.03 0.62 -0.83 -0.55 0.00 0.00 176.35 175.09 1swl s GLY 74 N -2.86 -0.57 0.18 -3.48 0.00 -0.23 -1.64 107.32 98.73 1swl s GLY 74 Ca 0.08 0.45 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 1swl s GLY 74 CO -0.05 0.15 0.51 0.66 0.00 0.00 0.00 173.10 174.37 1swl s TRP 75 N -3.73 -0.14 0.03 1.90 -2.14 -0.46 -1.23 118.94 113.17 1swl s TRP 75 Ca 0.02 -0.20 0.03 0.00 2.66 0.00 0.00 56.10 58.62 1swl s TRP 75 Cb -0.01 0.37 -0.02 0.00 -3.10 0.00 0.00 33.47 30.71 1swl s TRP 75 CO -0.11 -0.88 -0.10 0.99 -2.66 0.00 0.00 176.95 174.18 1swl s THR 76 N -3.86 0.80 -0.10 0.66 2.01 -0.16 -1.00 115.64 113.99 1swl s THR 76 Ca 0.08 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1swl s THR 76 Cb -0.01 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.79 1swl s THR 76 CO -0.04 -0.05 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.10 1swl s VAL 77 N -0.78 0.83 -0.01 3.82 1.01 -0.88 -2.28 120.40 122.10 1swl s VAL 77 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1swl s VAL 77 Cb -0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1swl s VAL 77 CO 0.01 0.33 0.61 0.00 0.00 0.00 0.00 175.10 176.05 1swl s ALA 78 N 1.76 3.46 -1.27 5.51 0.00 -1.26 -0.32 121.76 129.64 1swl s ALA 78 Ca 0.04 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1swl s ALA 78 Cb -0.13 -2.77 0.17 0.00 0.00 0.00 0.00 23.12 20.39 1swl s ALA 78 CO -0.07 0.13 2.11 0.91 0.00 0.00 0.00 175.76 178.83 1swl n TRP 79 N 2.88 2.69 -4.01 0.00 7.02 0.25 -4.80 117.44 121.46 1swl n TRP 79 Ca -0.06 -2.77 -0.18 0.00 -1.02 0.00 0.00 57.50 53.47 1swl n TRP 79 Cb 0.51 -1.78 -0.16 0.00 -2.42 0.00 0.00 31.31 27.46 1swl n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swl s LYS 80 N -1.02 0.51 0.00 -0.99 2.20 -1.26 0.85 119.74 120.03 1swl s LYS 80 Ca 0.46 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1swl s LYS 80 Cb 0.15 -0.64 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 1swl s LYS 80 CO -0.05 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 1swl n ASN 81 N 4.15 0.74 0.11 1.43 0.23 -0.67 -4.79 115.26 116.46 1swl n ASN 81 Ca -0.25 -0.88 0.08 0.00 -0.53 0.00 0.00 54.58 53.00 1swl n ASN 81 Cb 0.50 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.60 1swl n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swl n ASN 82 N -1.99 0.38 0.00 0.53 4.13 -1.26 -3.44 115.26 113.61 1swl n ASN 82 Ca 0.00 0.67 0.00 0.00 1.68 0.00 0.00 54.58 56.93 1swl n ASN 82 Cb 0.00 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 1swl n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1swl n TYR 83 N -2.00 0.00 -3.75 3.10 4.01 -1.26 -5.08 117.16 112.18 1swl n TYR 83 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1swl n TYR 83 Cb 0.05 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 1swl n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1swl s ARG 84 N -1.41 0.61 -0.19 -0.72 3.52 -1.22 -5.14 118.95 114.41 1swl s ARG 84 Ca 0.00 0.04 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1swl s ARG 84 Cb 0.00 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.75 1swl s ARG 84 CO 0.00 -0.15 0.20 1.21 -0.81 0.00 0.00 175.30 175.75 1swl s ASN 85 N -0.87 1.43 0.00 -2.12 3.84 -1.26 -1.67 114.94 114.29 1swl s ASN 85 Ca -0.09 -0.20 0.25 0.00 0.21 0.00 0.00 52.86 53.02 1swl s ASN 85 Cb -0.04 0.29 0.89 0.00 -0.55 0.00 0.00 41.25 41.84 1swl s ASN 85 CO 0.03 -0.32 1.65 0.00 -2.79 0.00 0.00 177.10 175.67 1swl n ALA 86 N 5.31 2.55 -3.76 1.71 0.00 0.25 -4.95 120.51 121.62 1swl n ALA 86 Ca -0.06 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.65 1swl n ALA 86 Cb 0.49 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.85 1swl n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swl n HIS 87 N 0.32 -1.85 -3.61 0.00 8.25 -1.26 -4.88 115.22 112.20 1swl n HIS 87 Ca 0.18 0.77 -0.08 0.00 -0.26 0.00 0.00 57.72 58.32 1swl n HIS 87 Cb 0.37 -4.08 -0.02 0.00 1.12 0.00 0.00 29.99 27.37 1swl n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swl s SER 88 N -4.24 -0.37 -0.10 0.41 1.04 -1.26 -1.60 113.70 107.58 1swl s SER 88 Ca 0.07 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1swl s SER 88 Cb -0.02 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1swl s SER 88 CO 0.84 -0.96 0.27 0.00 0.98 0.00 0.00 173.24 174.37 1swl s ALA 89 N -3.54 -0.65 -0.11 5.32 0.00 -0.92 0.86 121.76 122.72 1swl s ALA 89 Ca 0.06 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1swl s ALA 89 Cb -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1swl s ALA 89 CO -0.05 -0.14 -0.14 0.99 0.00 0.00 0.00 175.76 176.42 1swl s THR 90 N 0.39 3.01 -0.07 0.00 2.01 0.56 -1.58 115.64 119.96 1swl s THR 90 Ca -0.02 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1swl s THR 90 Cb -0.04 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1swl s THR 90 CO -0.02 0.54 -0.07 0.42 -0.69 0.00 0.00 174.62 174.80 1swl s THR 91 N 0.11 3.69 -0.15 -0.82 -4.23 0.07 -2.07 115.64 112.23 1swl s THR 91 Ca -0.06 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1swl s THR 91 Cb -0.15 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1swl s THR 91 CO 0.05 0.59 -0.10 0.26 -0.54 0.00 0.00 174.62 174.88 1swl s TRP 92 N -0.82 2.88 -0.11 3.99 0.51 -0.17 -0.74 118.94 124.48 1swl s TRP 92 Ca 0.13 -0.66 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 1swl s TRP 92 Cb -0.11 -1.92 0.01 0.00 -0.81 0.00 0.00 33.47 30.64 1swl s TRP 92 CO 0.02 -0.26 -0.16 0.45 -0.51 0.00 0.00 176.95 176.49 1swl s SER 93 N 0.59 2.53 0.00 2.95 0.15 -0.40 -1.35 113.70 118.18 1swl s SER 93 Ca -0.06 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1swl s SER 93 Cb -0.15 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1swl s SER 93 CO 0.03 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1swl n GLY 94 N 4.14 1.67 3.05 9.45 0.00 -0.65 -1.01 105.19 121.83 1swl n GLY 94 Ca -0.19 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1swl n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1swl s GLN 95 N 1.11 0.52 -0.08 1.61 -0.21 0.02 -1.97 119.66 120.66 1swl s GLN 95 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 55.36 54.55 1swl s GLN 95 Cb 0.00 -0.32 -0.05 0.00 1.00 0.00 0.00 33.01 33.64 1swl s GLN 95 CO 0.00 0.06 0.43 -0.47 -2.12 0.00 0.00 175.29 173.19 1swl s TYR 96 N -1.16 3.59 -0.17 0.91 5.04 -0.40 -1.39 117.35 123.78 1swl s TYR 96 Ca -0.08 0.90 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 1swl s TYR 96 Cb -0.09 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.81 1swl s TYR 96 CO 0.00 0.35 -0.18 0.08 -1.34 0.00 0.00 175.55 174.47 1swl s VAL 97 N -0.03 1.86 0.00 3.14 1.01 0.21 -1.60 120.40 124.99 1swl s VAL 97 Ca 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1swl s VAL 97 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1swl s VAL 97 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1swl n GLY 98 N 4.65 -1.84 0.00 4.51 0.00 -1.26 -1.62 105.19 109.63 1swl n GLY 98 Ca -0.19 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1swl n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swl n GLY 99 N 3.38 -1.55 0.30 -0.02 0.00 -1.26 -4.35 105.19 101.70 1swl n GLY 99 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1swl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swl h ALA 100 N 0.00 -0.70 -0.37 4.61 0.00 -2.06 -3.06 119.26 117.68 1swl h ALA 100 Ca 0.00 -0.18 -0.67 0.00 0.00 0.00 0.00 54.91 54.06 1swl h ALA 100 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1swl h ALA 100 CO 0.00 -0.69 2.59 -1.91 0.00 0.00 0.00 179.25 179.24 1swl n GLU 101 N -5.26 2.82 -2.01 0.00 4.07 -1.26 -4.91 120.64 114.09 1swl n GLU 101 Ca -0.10 -2.81 -0.42 0.00 -0.06 0.00 0.00 57.16 53.77 1swl n GLU 101 Cb 0.31 -3.37 -0.03 0.00 -0.06 0.00 0.00 31.44 28.28 1swl n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swl s ALA 102 N 4.19 3.70 -0.00 4.31 0.00 -1.16 -4.83 121.76 127.97 1swl s ALA 102 Ca 0.52 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1swl s ALA 102 Cb 0.09 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1swl s ALA 102 CO 0.01 -0.80 -0.11 1.03 0.00 0.00 0.00 175.76 175.89 1swl s ARG 103 N 1.48 0.85 -0.25 0.00 0.52 -0.64 -4.07 118.95 116.83 1swl s ARG 103 Ca 0.69 -0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1swl s ARG 103 Cb -0.40 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1swl s ARG 103 CO 0.31 0.22 0.00 0.42 0.02 0.00 0.00 175.30 176.27 1swl s ILE 104 N -0.36 3.56 -0.24 1.52 1.01 -0.20 -0.62 121.20 125.87 1swl s ILE 104 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1swl s ILE 104 Cb -0.05 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1swl s ILE 104 CO -0.00 0.27 0.27 0.20 0.00 0.00 0.00 174.94 175.68 1swl s ASN 105 N 1.47 6.23 0.11 3.58 0.01 -0.48 -0.75 114.94 125.11 1swl s ASN 105 Ca 0.04 0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.47 1swl s ASN 105 Cb -0.16 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1swl s ASN 105 CO -0.01 -0.03 -0.08 0.42 -1.51 0.00 0.00 177.10 175.89 1swl s THR 106 N 1.35 0.86 0.13 1.60 -4.23 -0.29 -0.80 115.64 114.26 1swl s THR 106 Ca 0.12 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 1swl s THR 106 Cb -0.14 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1swl s THR 106 CO 0.07 -0.80 -0.13 -1.10 -0.54 0.00 0.00 174.62 172.12 1swl s GLN 107 N -3.69 1.97 0.27 3.99 -0.21 -0.18 -1.60 119.66 120.21 1swl s GLN 107 Ca 0.12 -1.15 0.07 0.00 0.02 0.00 0.00 55.36 54.43 1swl s GLN 107 Cb 0.04 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.80 1swl s GLN 107 CO -0.03 0.48 -0.09 -0.59 -2.12 0.00 0.00 175.29 172.95 1swl s PHE 108 N -1.30 1.98 -0.09 0.91 -0.12 0.30 -1.27 117.98 118.39 1swl s PHE 108 Ca 0.21 -0.63 0.01 0.00 -0.05 0.00 0.00 56.93 56.47 1swl s PHE 108 Cb -0.10 -1.08 0.02 0.00 -0.63 0.00 0.00 43.02 41.23 1swl s PHE 108 CO 0.13 0.35 -0.10 -0.51 -0.05 0.00 0.00 175.22 175.04 1swl s LEU 109 N -3.44 1.44 -0.32 -1.99 1.43 0.08 -2.32 118.68 113.56 1swl s LEU 109 Ca 0.29 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1swl s LEU 109 Cb 0.02 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.48 1swl s LEU 109 CO 0.12 -0.04 0.03 -0.22 0.23 0.00 0.00 176.35 176.47 1swl s LEU 110 N 1.14 4.13 -0.15 1.79 2.96 -0.40 -0.75 118.68 127.41 1swl s LEU 110 Ca -0.06 -1.44 -0.06 0.00 -0.22 0.00 0.00 54.13 52.35 1swl s LEU 110 Cb -0.14 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1swl s LEU 110 CO -0.02 -0.31 0.07 -0.89 -1.32 0.00 0.00 176.35 173.89 1swl s THR 111 N 1.21 4.92 -0.05 3.68 2.01 -0.62 -1.34 115.64 125.46 1swl s THR 111 Ca -0.02 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1swl s THR 111 Cb -0.20 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1swl s THR 111 CO -0.02 0.52 0.10 -0.44 -0.69 0.00 0.00 174.62 174.09 1swl s SER 112 N -0.20 5.87 -0.01 3.53 0.01 0.63 -2.15 113.70 121.37 1swl s SER 112 Ca 0.08 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.29 1swl s SER 112 Cb -0.12 -1.76 -0.06 0.00 0.21 0.00 0.00 66.02 64.29 1swl s SER 112 CO 0.01 0.32 1.63 -0.83 0.41 0.00 0.00 173.24 174.78 1swl s GLY 113 N -1.45 1.58 0.42 3.44 0.00 -0.62 -4.82 107.32 105.87 1swl s GLY 113 Ca 0.20 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.94 1swl s GLY 113 CO 0.10 2.94 0.06 -1.30 0.00 0.00 0.00 173.10 174.90 1swl n THR 114 N 5.19 0.00 -2.25 0.90 -2.24 -1.26 -5.02 114.28 109.60 1swl n THR 114 Ca 0.16 -2.18 -0.28 0.00 -2.27 0.00 0.00 64.05 59.49 1swl n THR 114 Cb 0.42 0.58 0.04 0.00 -2.10 0.00 0.00 70.33 69.27 1swl n THR 114 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1swl s THR 115 N -2.79 3.59 0.24 4.28 -4.23 -1.26 -4.91 115.64 110.56 1swl s THR 115 Ca 0.08 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1swl s THR 115 Cb 0.00 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.60 1swl s THR 115 CO 0.06 -0.51 1.74 -0.33 -0.54 0.00 0.00 174.62 175.04 1swl h GLU 116 N -0.32 0.46 -0.91 3.99 5.08 -2.01 -1.70 114.58 119.16 1swl h GLU 116 Ca -0.45 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1swl h GLU 116 Cb 1.26 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1swl h GLU 116 CO 0.62 0.30 0.58 0.00 -1.00 0.00 0.00 179.01 179.51 1swl h ALA 117 N 1.53 1.82 -0.47 3.43 0.00 -2.07 -2.18 119.26 121.32 1swl h ALA 117 Ca 0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1swl h ALA 117 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1swl h ALA 117 CO -0.38 -0.08 0.00 0.09 0.00 0.00 0.00 179.25 178.89 1swl n ASN 118 N -4.58 3.78 0.16 0.00 3.02 -0.69 -4.60 115.26 112.36 1swl n ASN 118 Ca 0.18 -2.33 0.14 0.00 -0.03 0.00 0.00 54.58 52.54 1swl n ASN 118 Cb 0.48 -0.43 0.71 0.00 -0.61 0.00 0.00 39.78 39.94 1swl n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swl h ALA 119 N 2.86 2.11 0.00 5.41 0.00 -0.86 -1.75 119.26 127.02 1swl h ALA 119 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1swl h ALA 119 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1swl h ALA 119 CO 0.11 -0.28 0.00 0.11 0.00 0.00 0.00 179.25 179.19 1swl h TRP 120 N 0.00 0.00 -0.11 0.00 5.08 -1.81 -2.20 115.95 116.90 1swl h TRP 120 Ca 0.10 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.03 1swl h TRP 120 Cb 0.44 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.58 1swl h TRP 120 CO 0.00 0.00 -0.24 0.36 -1.28 0.00 0.00 178.44 177.28 1swl n LYS 121 N -2.95 1.70 0.10 0.12 2.85 -0.66 -4.74 118.16 114.59 1swl n LYS 121 Ca -0.02 -3.09 0.12 0.00 -1.05 0.00 0.00 58.31 54.27 1swl n LYS 121 Cb 0.11 -1.67 0.05 0.00 -0.65 0.00 0.00 35.03 32.88 1swl n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swl h SER 122 N 0.86 0.00 -3.21 -5.58 4.64 -1.46 -3.47 113.55 105.33 1swl h SER 122 Ca 0.06 -0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1swl h SER 122 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 1swl h SER 122 CO 0.12 0.03 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.41 1swl s THR 123 N -3.30 1.33 0.13 2.95 2.01 -1.26 -0.27 115.64 117.22 1swl s THR 123 Ca 0.02 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1swl s THR 123 Cb 0.10 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 1swl s THR 123 CO 0.77 0.34 0.47 -0.76 -0.69 0.00 0.00 174.62 174.74 1swl s LEU 124 N 1.57 4.31 0.03 4.42 1.43 -0.45 -4.91 118.68 125.09 1swl s LEU 124 Ca 0.04 0.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1swl s LEU 124 Cb -0.14 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1swl s LEU 124 CO -0.09 0.10 -0.19 0.54 0.23 0.00 0.00 176.35 176.94 1swl s VAL 125 N -1.51 1.48 0.18 -1.59 0.11 -1.26 -1.27 120.40 116.54 1swl s VAL 125 Ca 0.38 -1.07 -0.16 0.00 -2.93 0.00 0.00 61.98 58.19 1swl s VAL 125 Cb -0.14 -1.29 0.06 0.00 -1.53 0.00 0.00 36.38 33.48 1swl s VAL 125 CO 0.20 0.19 0.78 0.61 -3.33 0.00 0.00 175.10 173.55 1swl n GLY 126 N 2.00 0.83 3.19 6.54 0.00 -0.98 -4.98 105.19 111.79 1swl n GLY 126 Ca -0.17 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 1swl n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swl s HIS 127 N -3.05 1.09 -0.03 1.61 -3.43 -1.26 0.11 115.29 110.32 1swl s HIS 127 Ca 0.17 -0.67 -0.22 0.00 -0.80 0.00 0.00 55.06 53.54 1swl s HIS 127 Cb -0.03 -0.59 0.04 0.00 -1.43 0.00 0.00 32.58 30.58 1swl s HIS 127 CO 0.05 0.01 0.48 0.34 -2.00 0.00 0.00 174.74 173.62 1swl s ASP 128 N -2.54 -0.40 -0.06 7.38 -1.08 -0.63 -4.92 116.67 114.42 1swl s ASP 128 Ca 0.07 0.36 0.04 0.00 -0.52 0.00 0.00 52.55 52.50 1swl s ASP 128 Cb -0.02 0.42 -0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1swl s ASP 128 CO -0.00 -0.53 -0.18 -0.89 0.52 0.00 0.00 175.17 174.09 1swl s THR 129 N -1.31 1.54 -0.05 1.71 2.01 -1.26 -1.13 115.64 117.15 1swl s THR 129 Ca -0.12 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1swl s THR 129 Cb -0.03 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1swl s THR 129 CO 0.07 0.44 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.88 1swl s PHE 130 N 0.18 2.56 0.16 4.92 0.08 0.07 -4.35 117.98 121.60 1swl s PHE 130 Ca -0.08 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.67 1swl s PHE 130 Cb -0.14 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 1swl s PHE 130 CO 0.04 0.03 -0.12 0.95 -0.10 0.00 0.00 175.22 176.02 1swl s THR 131 N -0.54 1.37 -0.20 0.64 -4.23 -0.34 -1.03 115.64 111.30 1swl s THR 131 Ca 0.07 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 58.84 1swl s THR 131 Cb -0.11 -1.84 0.35 0.00 1.34 0.00 0.00 72.50 72.24 1swl s THR 131 CO 0.01 -0.64 1.83 0.11 -0.54 0.00 0.00 174.62 175.40 1swl h LYS 132 N 2.87 0.00 -0.01 3.99 1.79 -1.79 0.29 116.57 123.71 1swl h LYS 132 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1swl h LYS 132 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1swl h LYS 132 CO 0.60 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 179.25