#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swu h ILE 17 N 0.00 1.33 -2.76 -0.61 2.04 -1.97 -3.45 117.51 112.10 1swu h ILE 17 Ca 0.00 -2.42 -0.52 0.00 1.00 0.00 0.00 64.86 62.92 1swu h ILE 17 Cb 0.00 2.51 0.06 0.00 -0.74 0.00 0.00 36.82 38.65 1swu h ILE 17 CO 0.00 0.73 0.97 -0.89 0.00 0.00 0.00 178.15 178.97 1swu s THR 18 N -3.17 2.17 -5.00 -0.27 2.01 -1.26 -4.84 115.64 105.28 1swu s THR 18 Ca -0.08 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1swu s THR 18 Cb 0.07 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1swu s THR 18 CO 0.91 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.46 1swu n GLY 19 N 3.78 -0.77 3.49 4.40 0.00 -0.40 -5.00 105.19 110.68 1swu n GLY 19 Ca 0.15 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1swu n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swu s THR 20 N -2.37 4.43 0.18 2.61 2.01 -1.26 -1.50 115.64 119.74 1swu s THR 20 Ca 0.00 -0.14 0.11 0.00 0.31 0.00 0.00 61.69 61.97 1swu s THR 20 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1swu s THR 20 CO 0.00 0.36 -0.24 0.26 -0.69 0.00 0.00 174.62 174.31 1swu s TRP 21 N 1.34 2.32 -0.04 4.92 0.52 0.98 -4.53 118.94 124.46 1swu s TRP 21 Ca 0.05 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.85 1swu s TRP 21 Cb -0.15 -1.17 -0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1swu s TRP 21 CO 0.04 0.47 -0.14 0.71 0.02 0.00 0.00 176.95 178.04 1swu s TYR 22 N -1.54 1.43 0.68 -1.98 1.51 -0.21 -0.60 117.35 116.65 1swu s TYR 22 Ca 0.19 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1swu s TYR 22 Cb -0.08 -0.98 0.14 0.00 -0.11 0.00 0.00 41.96 40.93 1swu s TYR 22 CO 0.09 -0.14 0.93 0.27 -1.11 0.00 0.00 175.55 175.60 1swu n ASN 23 N 3.18 0.73 0.11 2.29 0.23 -0.73 -1.49 115.26 119.59 1swu n ASN 23 Ca -0.18 -1.74 0.11 0.00 -0.53 0.00 0.00 54.58 52.24 1swu n ASN 23 Cb 0.53 -0.65 0.47 0.00 -2.08 0.00 0.00 39.78 38.05 1swu n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swu n GLN 24 N -2.83 0.17 -0.25 -3.83 0.00 -1.14 -1.60 117.38 107.91 1swu n GLN 24 Ca 0.14 0.40 0.09 0.00 0.00 0.00 0.00 57.00 57.63 1swu n GLN 24 Cb 0.48 -1.82 0.23 0.00 0.00 0.00 0.00 30.24 29.13 1swu n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swu n LEU 25 N -2.15 3.39 0.00 2.61 4.77 -1.26 -4.98 117.00 119.38 1swu n LEU 25 Ca 0.02 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1swu n LEU 25 Cb 0.23 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1swu n LEU 25 CO 0.19 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1swu n GLY 26 N 1.18 0.76 3.64 -0.72 0.00 -0.63 -5.05 105.19 104.38 1swu n GLY 26 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1swu n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swu n SER 27 N 0.00 0.61 -4.08 1.61 7.64 -1.26 -4.76 113.62 113.39 1swu n SER 27 Ca 0.00 0.61 -0.29 0.00 1.01 0.00 0.00 58.87 60.20 1swu n SER 27 Cb 0.00 -1.45 -0.17 0.00 -1.01 0.00 0.00 64.21 61.59 1swu n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swu s THR 28 N -1.98 1.62 -0.33 0.44 2.01 -0.33 -1.77 115.64 115.31 1swu s THR 28 Ca 0.73 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1swu s THR 28 Cb -0.31 -1.47 0.08 0.00 0.01 0.00 0.00 72.50 70.81 1swu s THR 28 CO 0.51 0.46 0.03 0.12 -0.69 0.00 0.00 174.62 175.06 1swu s PHE 29 N 0.98 3.49 -0.32 4.92 5.36 0.23 -0.39 117.98 132.24 1swu s PHE 29 Ca -0.06 -2.43 -0.08 0.00 -0.96 0.00 0.00 56.93 53.40 1swu s PHE 29 Cb -0.15 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1swu s PHE 29 CO -0.02 -0.90 0.12 0.42 -1.46 0.00 0.00 175.22 173.38 1swu s ILE 30 N 1.09 4.18 0.02 3.12 1.01 -0.35 -0.01 121.20 130.27 1swu s ILE 30 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1swu s ILE 30 Cb -0.20 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1swu s ILE 30 CO -0.05 -0.03 -0.05 0.54 0.00 0.00 0.00 174.94 175.36 1swu s VAL 31 N 1.52 0.28 -0.08 2.92 0.11 -0.56 -1.45 120.40 123.14 1swu s VAL 31 Ca 0.02 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 1swu s VAL 31 Cb -0.18 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1swu s VAL 31 CO 0.04 -0.37 -0.17 0.28 -3.33 0.00 0.00 175.10 171.55 1swu s THR 32 N -1.22 1.52 -0.43 5.04 -1.32 -0.14 -1.28 115.64 117.82 1swu s THR 32 Ca -0.11 -0.70 -0.11 0.00 -1.21 0.00 0.00 61.69 59.55 1swu s THR 32 Cb -0.09 -1.35 0.07 0.00 -1.51 0.00 0.00 72.50 69.62 1swu s THR 32 CO -0.00 0.44 0.29 0.00 -2.21 0.00 0.00 174.62 173.14 1swu s ALA 33 N 0.56 3.37 0.60 11.08 0.00 -1.26 -2.09 121.76 134.02 1swu s ALA 33 Ca -0.16 -2.09 -0.07 0.00 0.00 0.00 0.00 51.96 49.64 1swu s ALA 33 Cb -0.17 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1swu s ALA 33 CO 0.05 -1.64 0.94 0.20 0.00 0.00 0.00 175.76 175.31 1swu s GLY 34 N 2.19 1.60 0.56 0.00 0.00 0.03 -4.87 107.32 106.83 1swu s GLY 34 Ca 0.03 -0.55 0.32 0.00 0.00 0.00 0.00 44.72 44.52 1swu s GLY 34 CO 0.04 -0.26 2.16 0.00 0.00 0.00 0.00 173.10 175.03 1swu h ALA 35 N -0.23 1.26 -0.00 3.20 0.00 -1.98 -2.80 119.26 118.70 1swu h ALA 35 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1swu h ALA 35 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1swu h ALA 35 CO 0.62 0.08 -0.09 -0.40 0.00 0.00 0.00 179.25 179.46 1swu n ASP 36 N -3.53 0.12 0.00 0.00 5.75 -1.26 -4.89 116.55 112.74 1swu n ASP 36 Ca -0.02 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1swu n ASP 36 Cb 0.18 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1swu n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swu n GLY 37 N 1.45 0.46 3.77 6.12 0.00 -1.05 -4.94 105.19 110.99 1swu n GLY 37 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1swu n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swu s ALA 38 N -2.00 3.24 -0.14 4.61 0.00 -1.26 -1.09 121.76 125.13 1swu s ALA 38 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1swu s ALA 38 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1swu s ALA 38 CO 0.00 0.19 -0.11 -0.51 0.00 0.00 0.00 175.76 175.33 1swu s LEU 39 N -1.86 2.82 0.05 0.00 1.43 -0.14 -0.79 118.68 120.19 1swu s LEU 39 Ca 0.48 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1swu s LEU 39 Cb -0.20 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1swu s LEU 39 CO 0.25 0.16 -0.06 0.42 0.23 0.00 0.00 176.35 177.36 1swu s THR 40 N 0.38 0.41 -5.00 5.49 -4.23 -0.89 -1.18 115.64 110.61 1swu s THR 40 Ca -0.09 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1swu s THR 40 Cb -0.16 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1swu s THR 40 CO 0.05 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1swu n GLY 41 N 1.09 -0.46 3.15 3.99 0.00 -1.01 -0.97 105.19 110.98 1swu n GLY 41 Ca -0.20 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 1swu n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swu s THR 42 N -3.21 0.92 -0.07 2.61 -4.23 -0.53 -1.60 115.64 109.54 1swu s THR 42 Ca 0.00 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1swu s THR 42 Cb 0.00 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1swu s THR 42 CO 0.00 -0.43 -0.15 0.12 -0.54 0.00 0.00 174.62 173.62 1swu s PHE 43 N -1.90 1.71 0.00 3.99 2.19 0.25 -1.22 117.98 123.00 1swu s PHE 43 Ca 0.00 -0.62 0.00 0.00 0.33 0.00 0.00 56.93 56.65 1swu s PHE 43 Cb -0.06 -1.20 0.00 0.00 -1.31 0.00 0.00 43.02 40.45 1swu s PHE 43 CO 0.01 -0.28 0.00 -0.85 1.83 0.00 0.00 175.22 175.93 1swu n GLU 44 N 3.61 0.72 0.00 10.12 0.28 0.47 -0.89 120.64 134.94 1swu n GLU 44 Ca -0.21 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 56.91 1swu n GLU 44 Cb 0.52 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.52 1swu n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1swu n GLY 48 N 1.12 0.79 3.93 -1.84 0.00 -1.26 -1.18 105.19 106.75 1swu n GLY 48 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1swu n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1swu s ASN 49 N -2.06 6.30 0.26 1.61 2.20 -1.26 -4.94 114.94 117.06 1swu s ASN 49 Ca 0.28 0.61 -0.02 0.00 -0.94 0.00 0.00 52.86 52.78 1swu s ASN 49 Cb 0.20 -2.10 0.46 0.00 -2.00 0.00 0.00 41.25 37.80 1swu s ASN 49 CO 0.33 -0.36 1.83 0.00 -2.94 0.00 0.00 177.10 175.96 1swu h ALA 50 N 0.70 1.32 0.00 3.54 0.00 -2.05 -1.74 119.26 121.04 1swu h ALA 50 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1swu h ALA 50 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1swu h ALA 50 CO 0.62 0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.97 1swu h GLU 51 N 0.90 0.00 -0.62 0.00 3.07 -2.01 -1.87 114.58 114.05 1swu h GLU 51 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1swu h GLU 51 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1swu h GLU 51 CO -0.25 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.23 1swu n SER 52 N -2.66 4.55 -4.75 1.42 3.41 -0.65 -4.79 113.62 110.15 1swu n SER 52 Ca -0.01 -2.41 -0.35 0.00 -0.26 0.00 0.00 58.87 55.83 1swu n SER 52 Cb 0.11 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1swu n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1swu s ARG 53 N -1.77 4.03 0.09 4.33 3.52 -0.71 -4.22 118.95 124.22 1swu s ARG 53 Ca 0.49 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.91 1swu s ARG 53 Cb 0.31 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1swu s ARG 53 CO 0.24 0.39 -0.11 0.71 -0.81 0.00 0.00 175.30 175.72 1swu s TYR 54 N 0.10 1.08 0.32 5.12 1.51 -0.07 -4.83 117.35 120.58 1swu s TYR 54 Ca 0.09 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 55.27 1swu s TYR 54 Cb -0.11 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.05 1swu s TYR 54 CO -0.01 0.01 1.07 0.08 -1.11 0.00 0.00 175.55 175.59 1swu s VAL 55 N -2.17 3.61 0.11 0.71 1.01 -1.26 -0.59 120.40 121.83 1swu s VAL 55 Ca 0.03 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.55 1swu s VAL 55 Cb -0.05 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1swu s VAL 55 CO 0.01 0.24 -0.15 -1.48 0.00 0.00 0.00 175.10 173.72 1swu s LEU 56 N -1.85 2.37 -0.00 3.92 0.05 -0.63 -4.33 118.68 118.21 1swu s LEU 56 Ca 0.49 -0.77 -0.09 0.00 0.05 0.00 0.00 54.13 53.81 1swu s LEU 56 Cb -0.28 -0.59 0.01 0.00 -2.05 0.00 0.00 46.19 43.28 1swu s LEU 56 CO 0.36 -0.11 0.18 0.42 -0.55 0.00 0.00 176.35 176.64 1swu s THR 57 N -1.90 0.08 0.00 5.48 -4.23 -1.03 -2.39 115.64 111.64 1swu s THR 57 Ca 0.07 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1swu s THR 57 Cb -0.06 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1swu s THR 57 CO 0.03 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1swu n GLY 58 N 1.42 1.60 3.06 3.99 0.00 -0.33 -1.17 105.19 113.75 1swu n GLY 58 Ca -0.22 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1swu n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swu s ARG 59 N -0.09 0.48 0.06 1.61 1.81 -0.48 -0.96 118.95 121.38 1swu s ARG 59 Ca 0.00 -0.80 -0.03 0.00 -1.72 0.00 0.00 55.73 53.19 1swu s ARG 59 Cb 0.00 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1swu s ARG 59 CO 0.00 -0.10 0.02 1.52 -0.68 0.00 0.00 175.30 176.06 1swu s TYR 60 N -2.44 0.42 -0.48 -0.53 1.13 -0.25 -1.21 117.35 114.00 1swu s TYR 60 Ca -0.07 -0.93 -0.28 0.00 -1.41 0.00 0.00 57.07 54.38 1swu s TYR 60 Cb -0.03 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.53 1swu s TYR 60 CO -0.04 -0.41 1.51 0.34 -2.51 0.00 0.00 175.55 174.43 1swu s ASP 61 N -2.85 6.10 0.00 -0.18 2.15 -0.42 -4.56 116.67 116.91 1swu s ASP 61 Ca 0.06 0.64 0.23 0.00 0.43 0.00 0.00 52.55 53.90 1swu s ASP 61 Cb 0.07 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.33 1swu s ASP 61 CO -0.10 -1.66 1.78 -1.54 -0.17 0.00 0.00 175.17 173.48 1swu n SER 62 N 9.67 0.50 -3.13 -0.34 3.41 -1.26 -4.08 113.62 118.38 1swu n SER 62 Ca 0.16 -1.41 -0.21 0.00 -0.26 0.00 0.00 58.87 57.15 1swu n SER 62 Cb 0.49 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1swu n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swu n ALA 63 N -0.50 1.76 -0.89 7.33 0.00 -1.26 -5.04 120.51 121.90 1swu n ALA 63 Ca 0.17 -2.99 -0.29 0.00 0.00 0.00 0.00 53.44 50.32 1swu n ALA 63 Cb 0.16 -0.90 0.19 0.00 0.00 0.00 0.00 19.45 18.89 1swu n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swu s PRO 64 N -0.69 0.28 0.96 0.00 0.04 -1.26 -4.99 135.00 129.34 1swu s PRO 64 Ca 0.34 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 1swu s PRO 64 Cb 0.16 -1.69 0.17 0.00 0.04 0.00 0.00 34.50 33.18 1swu s PRO 64 CO -0.14 -2.92 1.13 0.00 0.04 0.00 0.00 177.00 175.10 1swu s ALA 65 N -2.73 1.11 -0.34 8.56 0.00 -1.26 -4.96 121.76 122.13 1swu s ALA 65 Ca 0.66 0.47 0.07 0.00 0.00 0.00 0.00 51.96 53.16 1swu s ALA 65 Cb -0.21 -3.42 0.49 0.00 0.00 0.00 0.00 23.12 19.98 1swu s ALA 65 CO 0.60 -2.97 1.48 0.25 0.00 0.00 0.00 175.76 175.12 1swu n THR 66 N -4.37 2.70 -0.04 0.00 -2.24 -1.26 -4.62 114.28 104.46 1swu n THR 66 Ca 0.10 -3.12 0.02 0.00 -2.27 0.00 0.00 64.05 58.78 1swu n THR 66 Cb 0.52 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1swu n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swu n ASP 67 N -1.01 2.19 0.00 3.42 5.75 -1.26 -4.96 116.55 120.68 1swu n ASP 67 Ca 0.40 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1swu n ASP 67 Cb 0.98 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1swu n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swu n GLY 68 N -0.17 0.51 3.82 6.12 0.00 -1.26 -5.08 105.19 109.13 1swu n GLY 68 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1swu n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swu s SER 69 N -2.89 6.10 1.15 1.61 0.01 -1.26 -5.06 113.70 113.35 1swu s SER 69 Ca 0.00 1.71 -0.19 0.00 1.31 0.00 0.00 55.95 58.78 1swu s SER 69 Cb 0.00 -2.52 0.27 0.00 0.21 0.00 0.00 66.02 63.98 1swu s SER 69 CO 0.00 -0.95 1.18 -0.83 0.41 0.00 0.00 173.24 173.05 1swu s GLY 70 N -2.95 1.65 -0.30 3.44 0.00 -1.26 -4.81 107.32 103.09 1swu s GLY 70 Ca 0.62 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1swu s GLY 70 CO 0.36 -0.21 0.07 -1.59 0.00 0.00 0.00 173.10 171.73 1swu s THR 71 N -3.30 3.86 0.44 0.90 2.01 0.08 -4.74 115.64 114.89 1swu s THR 71 Ca 0.73 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 1swu s THR 71 Cb -0.07 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 1swu s THR 71 CO 0.55 0.06 1.21 0.00 -0.69 0.00 0.00 174.62 175.75 1swu s ALA 72 N 1.47 3.08 0.27 7.40 0.00 -1.26 -0.72 121.76 132.00 1swu s ALA 72 Ca 0.02 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 1swu s ALA 72 Cb -0.17 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1swu s ALA 72 CO 0.02 -0.72 0.71 -0.48 0.00 0.00 0.00 175.76 175.29 1swu s LEU 73 N -2.77 -0.29 0.03 0.00 0.05 -0.52 -1.30 118.68 113.87 1swu s LEU 73 Ca 0.61 -0.55 -0.27 0.00 0.05 0.00 0.00 54.13 53.97 1swu s LEU 73 Cb -0.32 2.71 0.09 0.00 -2.05 0.00 0.00 46.19 46.62 1swu s LEU 73 CO 0.40 -1.31 0.77 -0.83 -0.55 0.00 0.00 176.35 174.83 1swu s GLY 74 N -2.90 -0.51 0.21 -3.48 0.00 -0.35 -1.43 107.32 98.86 1swu s GLY 74 Ca 0.10 0.99 -0.16 0.00 0.00 0.00 0.00 44.72 45.66 1swu s GLY 74 CO 0.05 0.44 0.50 0.66 0.00 0.00 0.00 173.10 174.75 1swu s TRP 75 N -2.83 0.06 0.02 1.90 -2.14 -0.37 -1.38 118.94 114.19 1swu s TRP 75 Ca 0.01 -0.42 0.06 0.00 2.66 0.00 0.00 56.10 58.40 1swu s TRP 75 Cb -0.01 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.66 1swu s TRP 75 CO -0.06 -0.94 -0.17 0.99 -2.66 0.00 0.00 176.95 174.10 1swu s THR 76 N -3.92 1.35 -0.11 0.66 2.01 -0.32 -0.85 115.64 114.46 1swu s THR 76 Ca 0.14 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1swu s THR 76 Cb -0.01 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1swu s THR 76 CO 0.01 0.24 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.34 1swu s VAL 77 N -0.61 1.53 -0.12 3.82 1.01 -0.27 -2.47 120.40 123.28 1swu s VAL 77 Ca 0.05 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1swu s VAL 77 Cb -0.07 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1swu s VAL 77 CO 0.00 0.45 0.54 0.00 0.00 0.00 0.00 175.10 176.09 1swu s ALA 78 N 1.01 3.45 -0.26 5.51 0.00 -1.26 -0.80 121.76 129.41 1swu s ALA 78 Ca -0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 1swu s ALA 78 Cb -0.15 -2.75 -0.18 0.00 0.00 0.00 0.00 23.12 20.05 1swu s ALA 78 CO -0.02 -0.08 3.37 0.91 0.00 0.00 0.00 175.76 179.93 1swu n TRP 79 N 3.85 0.59 -4.90 0.00 7.02 -0.09 -4.75 117.44 119.16 1swu n TRP 79 Ca -0.05 -1.75 -0.28 0.00 -1.02 0.00 0.00 57.50 54.40 1swu n TRP 79 Cb 0.51 -1.63 -0.16 0.00 -2.42 0.00 0.00 31.31 27.61 1swu n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swu s LYS 80 N 0.46 2.16 0.00 -0.99 2.20 -1.26 -1.30 119.74 121.01 1swu s LYS 80 Ca 0.65 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1swu s LYS 80 Cb 0.32 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.88 1swu s LYS 80 CO -0.05 0.18 0.00 0.27 -0.36 0.00 0.00 175.35 175.38 1swu n ASN 81 N 3.41 0.19 0.00 1.43 0.23 -0.34 -4.77 115.26 115.41 1swu n ASN 81 Ca -0.20 -0.20 0.10 0.00 -0.53 0.00 0.00 54.58 53.76 1swu n ASN 81 Cb 0.52 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.74 1swu n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swu n ASN 82 N -0.55 0.00 -0.01 0.53 3.02 -1.26 -3.84 115.26 113.15 1swu n ASN 82 Ca 0.00 -0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 1swu n ASN 82 Cb 0.00 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1swu n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swu n TYR 83 N -1.26 0.00 -3.87 3.10 4.01 -1.26 -5.09 117.16 112.79 1swu n TYR 83 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1swu n TYR 83 Cb 0.15 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 1swu n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swu s ARG 84 N -2.04 0.60 -0.14 -0.72 0.52 -1.25 -5.14 118.95 110.78 1swu s ARG 84 Ca -0.01 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.60 1swu s ARG 84 Cb 0.01 0.25 0.07 0.00 0.52 0.00 0.00 34.95 35.79 1swu s ARG 84 CO 0.07 -0.16 0.19 1.21 0.02 0.00 0.00 175.30 176.63 1swu s ASN 85 N -1.83 1.00 0.00 0.23 3.84 -1.26 -1.20 114.94 115.72 1swu s ASN 85 Ca -0.09 0.13 0.25 0.00 0.21 0.00 0.00 52.86 53.36 1swu s ASN 85 Cb -0.03 0.35 0.65 0.00 -0.55 0.00 0.00 41.25 41.66 1swu s ASN 85 CO -0.02 -0.28 1.51 0.00 -2.79 0.00 0.00 177.10 175.53 1swu n ALA 86 N 5.32 2.51 -3.78 1.71 0.00 -0.42 -4.98 120.51 120.88 1swu n ALA 86 Ca -0.05 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 1swu n ALA 86 Cb 0.50 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1swu n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swu n HIS 87 N 0.74 -1.82 -3.63 0.00 8.25 -1.26 -4.85 115.22 112.65 1swu n HIS 87 Ca 0.17 0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 58.29 1swu n HIS 87 Cb 0.46 -4.04 -0.03 0.00 1.12 0.00 0.00 29.99 27.50 1swu n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1swu s SER 88 N -4.24 -0.37 -0.08 0.41 0.01 -1.26 -1.20 113.70 106.96 1swu s SER 88 Ca 0.07 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.89 1swu s SER 88 Cb -0.02 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.83 1swu s SER 88 CO 0.84 -1.04 0.33 0.00 0.41 0.00 0.00 173.24 173.79 1swu s ALA 89 N -3.83 -0.82 -0.07 1.44 0.00 -0.19 -0.92 121.76 117.38 1swu s ALA 89 Ca 0.06 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1swu s ALA 89 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1swu s ALA 89 CO -0.06 -0.20 -0.11 0.99 0.00 0.00 0.00 175.76 176.38 1swu s THR 90 N -0.39 3.34 -0.08 0.00 2.01 0.02 -0.95 115.64 119.58 1swu s THR 90 Ca -0.05 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1swu s THR 90 Cb -0.03 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1swu s THR 90 CO 0.02 0.58 -0.15 0.42 -0.69 0.00 0.00 174.62 174.81 1swu s THR 91 N -0.62 2.99 -0.15 -0.82 -4.23 -0.25 -1.12 115.64 111.43 1swu s THR 91 Ca 0.09 -0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1swu s THR 91 Cb -0.11 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1swu s THR 91 CO 0.01 0.56 -0.05 0.26 -0.54 0.00 0.00 174.62 174.87 1swu s TRP 92 N -0.29 2.99 -0.10 3.99 0.51 -0.03 -1.17 118.94 124.84 1swu s TRP 92 Ca 0.02 -0.38 0.04 0.00 -2.12 0.00 0.00 56.10 53.65 1swu s TRP 92 Cb -0.13 -1.95 0.00 0.00 -0.81 0.00 0.00 33.47 30.59 1swu s TRP 92 CO 0.03 -0.09 -0.23 0.45 -0.51 0.00 0.00 176.95 176.60 1swu s SER 93 N 0.42 2.97 0.00 2.95 0.15 0.14 -1.24 113.70 119.09 1swu s SER 93 Ca -0.05 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1swu s SER 93 Cb -0.15 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1swu s SER 93 CO 0.03 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1swu n GLY 94 N 3.58 1.34 3.03 9.45 0.00 -0.51 -1.16 105.19 120.92 1swu n GLY 94 Ca -0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1swu n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swu s GLN 95 N 1.29 0.34 -0.08 1.61 -2.07 -0.65 -1.44 119.66 118.66 1swu s GLN 95 Ca 0.00 -0.36 -0.21 0.00 -1.82 0.00 0.00 55.36 52.98 1swu s GLN 95 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1swu s GLN 95 CO 0.00 -0.07 0.58 -0.47 -1.32 0.00 0.00 175.29 174.01 1swu s TYR 96 N -1.10 3.56 -0.28 9.60 5.04 0.11 -1.31 117.35 132.98 1swu s TYR 96 Ca -0.12 1.08 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 1swu s TYR 96 Cb -0.07 -2.66 0.05 0.00 0.35 0.00 0.00 41.96 39.64 1swu s TYR 96 CO 0.00 0.17 -0.07 0.08 -1.34 0.00 0.00 175.55 174.40 1swu s VAL 97 N 0.56 2.52 0.37 3.14 1.01 0.34 -0.74 120.40 127.61 1swu s VAL 97 Ca 0.31 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1swu s VAL 97 Cb -0.17 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.84 1swu s VAL 97 CO 0.14 -0.05 0.50 0.61 0.00 0.00 0.00 175.10 176.31 1swu n GLY 98 N 4.52 -0.50 0.00 4.51 0.00 -1.26 -1.38 105.19 111.07 1swu n GLY 98 Ca -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1swu n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swu n GLY 99 N 1.54 0.77 0.32 -0.02 0.00 -1.26 -4.70 105.19 101.84 1swu n GLY 99 Ca 0.07 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 44.02 1swu n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swu h ALA 100 N 0.00 2.16 -3.18 4.61 0.00 -2.07 -3.03 119.26 117.76 1swu h ALA 100 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 1swu h ALA 100 Cb 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.41 1swu h ALA 100 CO 0.00 -0.31 -0.73 -2.00 0.00 0.00 0.00 179.25 176.22 1swu s GLU 101 N -4.97 1.25 0.60 0.00 -6.30 -1.26 -5.08 118.70 102.94 1swu s GLU 101 Ca -0.05 -1.82 -0.18 0.00 -2.50 0.00 0.00 54.97 50.42 1swu s GLU 101 Cb 0.18 -2.50 -0.03 0.00 0.00 0.00 0.00 34.13 31.78 1swu s GLU 101 CO 0.67 -1.08 1.18 0.00 0.02 0.00 0.00 175.26 176.06 1swu s ALA 102 N 0.68 2.52 -0.03 6.30 0.00 -1.15 -4.86 121.76 125.23 1swu s ALA 102 Ca 0.15 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 1swu s ALA 102 Cb -0.22 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1swu s ALA 102 CO -0.07 -1.17 0.16 0.50 0.00 0.00 0.00 175.76 175.18 1swu s ARG 103 N -3.45 0.36 -0.21 0.00 3.52 -0.48 -4.34 118.95 114.34 1swu s ARG 103 Ca 0.75 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1swu s ARG 103 Cb -0.28 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1swu s ARG 103 CO 0.34 -0.07 -0.11 0.42 -0.81 0.00 0.00 175.30 175.06 1swu s ILE 104 N -0.68 2.72 -0.21 4.11 1.01 -0.39 -0.50 121.20 127.25 1swu s ILE 104 Ca -0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1swu s ILE 104 Cb -0.05 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1swu s ILE 104 CO 0.01 0.43 0.10 0.20 0.00 0.00 0.00 174.94 175.68 1swu s ASN 105 N 1.37 5.74 0.13 3.58 0.01 -0.43 -0.77 114.94 124.56 1swu s ASN 105 Ca 0.04 0.05 0.04 0.00 -0.71 0.00 0.00 52.86 52.28 1swu s ASN 105 Cb -0.14 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1swu s ASN 105 CO -0.08 0.10 -0.10 0.42 -1.51 0.00 0.00 177.10 175.94 1swu s THR 106 N 0.83 1.04 0.09 1.60 -4.23 -0.25 -1.63 115.64 113.09 1swu s THR 106 Ca 0.05 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1swu s THR 106 Cb -0.13 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1swu s THR 106 CO 0.02 -0.72 -0.18 -1.10 -0.54 0.00 0.00 174.62 172.11 1swu s GLN 107 N -3.52 1.89 0.08 3.99 -0.21 -0.31 -1.97 119.66 119.62 1swu s GLN 107 Ca 0.13 -1.11 0.02 0.00 0.02 0.00 0.00 55.36 54.43 1swu s GLN 107 Cb 0.02 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1swu s GLN 107 CO -0.00 0.50 -0.07 1.67 -2.12 0.00 0.00 175.29 175.27 1swu s TRP 108 N -1.07 0.85 -0.10 0.91 1.48 0.01 -0.68 118.94 120.34 1swu s TRP 108 Ca 0.17 -0.79 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1swu s TRP 108 Cb -0.11 -0.49 0.02 0.00 -1.16 0.00 0.00 33.47 31.73 1swu s TRP 108 CO 0.08 -0.12 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.23 1swu s LEU 109 N -2.64 1.51 -0.31 -4.66 1.43 -0.31 -1.88 118.68 111.81 1swu s LEU 109 Ca 0.06 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1swu s LEU 109 Cb 0.01 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.34 1swu s LEU 109 CO -0.03 -0.03 0.05 -0.22 0.23 0.00 0.00 176.35 176.35 1swu s LEU 110 N 1.17 4.02 -0.19 1.79 0.20 -0.02 -1.09 118.68 124.56 1swu s LEU 110 Ca -0.04 -1.10 -0.07 0.00 0.69 0.00 0.00 54.13 53.61 1swu s LEU 110 Cb -0.14 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1swu s LEU 110 CO -0.03 -0.27 0.04 -0.89 -0.29 0.00 0.00 176.35 174.91 1swu s THR 111 N 1.36 4.50 -0.04 3.68 2.01 -0.13 -0.91 115.64 126.12 1swu s THR 111 Ca -0.02 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 1swu s THR 111 Cb -0.19 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1swu s THR 111 CO 0.01 0.45 0.15 -0.44 -0.69 0.00 0.00 174.62 174.10 1swu s SER 112 N 0.59 6.24 0.29 3.53 0.01 -0.14 -1.02 113.70 123.19 1swu s SER 112 Ca 0.02 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.32 1swu s SER 112 Cb -0.13 -1.95 -0.11 0.00 0.21 0.00 0.00 66.02 64.04 1swu s SER 112 CO 0.02 0.30 1.58 -0.83 0.41 0.00 0.00 173.24 174.72 1swu s GLY 113 N -1.65 2.13 0.04 3.44 0.00 -0.34 -4.79 107.32 106.14 1swu s GLY 113 Ca 0.23 1.54 -0.00 0.00 0.00 0.00 0.00 44.72 46.49 1swu s GLY 113 CO 0.14 2.52 -0.04 -0.51 0.00 0.00 0.00 173.10 175.21 1swu s THR 114 N 0.01 0.24 1.02 0.90 -4.23 -1.26 -5.04 115.64 107.28 1swu s THR 114 Ca 0.63 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1swu s THR 114 Cb -0.47 -0.90 0.20 0.00 1.34 0.00 0.00 72.50 72.67 1swu s THR 114 CO 0.47 -0.71 1.08 0.42 -0.54 0.00 0.00 174.62 175.34 1swu s THR 115 N -2.59 2.13 0.21 3.99 -4.23 -1.26 -4.87 115.64 109.02 1swu s THR 115 Ca -0.04 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 1swu s THR 115 Cb -0.02 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 71.52 1swu s THR 115 CO -0.05 -0.05 1.84 -0.33 -0.54 0.00 0.00 174.62 175.49 1swu h GLU 116 N -1.99 0.80 0.00 3.99 5.08 -2.01 -2.21 114.58 118.25 1swu h GLU 116 Ca -0.55 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1swu h GLU 116 Cb 1.32 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1swu h GLU 116 CO 0.56 0.53 -0.08 0.00 -1.00 0.00 0.00 179.01 179.02 1swu h ALA 117 N 1.32 1.71 -0.39 3.43 0.00 -2.06 -2.33 119.26 120.94 1swu h ALA 117 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1swu h ALA 117 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1swu h ALA 117 CO -0.13 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1swu n ASN 118 N -4.22 3.41 0.28 0.00 3.02 -0.88 -4.53 115.26 112.34 1swu n ASN 118 Ca -0.03 -1.97 0.14 0.00 -0.03 0.00 0.00 54.58 52.70 1swu n ASN 118 Cb 0.16 -0.25 0.82 0.00 -0.61 0.00 0.00 39.78 39.89 1swu n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swu h ALA 119 N 4.23 1.30 0.00 5.41 0.00 -0.90 -1.47 119.26 127.84 1swu h ALA 119 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1swu h ALA 119 Cb 0.95 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1swu h ALA 119 CO 0.00 0.09 -0.06 0.11 0.00 0.00 0.00 179.25 179.40 1swu h TRP 120 N 0.00 0.00 -0.35 0.00 5.08 -1.82 -2.09 115.95 116.77 1swu h TRP 120 Ca -0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 1swu h TRP 120 Cb 0.23 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.31 1swu h TRP 120 CO 0.00 0.06 -0.01 0.36 -1.28 0.00 0.00 178.44 177.57 1swu n LYS 121 N -3.48 2.23 0.18 0.12 2.85 -0.56 -4.68 118.16 114.82 1swu n LYS 121 Ca -0.02 -3.05 0.07 0.00 -1.05 0.00 0.00 58.31 54.26 1swu n LYS 121 Cb 0.18 -1.84 0.15 0.00 -0.65 0.00 0.00 35.03 32.87 1swu n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swu h SER 122 N 1.26 0.00 -3.19 -5.58 4.64 -1.41 -3.46 113.55 105.81 1swu h SER 122 Ca 0.17 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.94 1swu h SER 122 Cb 1.65 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.37 1swu h SER 122 CO 0.37 0.30 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.93 1swu s THR 123 N -3.15 1.12 0.26 2.95 2.01 -1.26 -0.97 115.64 116.60 1swu s THR 123 Ca 0.04 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 1swu s THR 123 Cb 0.07 -1.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 1swu s THR 123 CO 0.70 0.35 0.56 -0.76 -0.69 0.00 0.00 174.62 174.78 1swu s LEU 124 N 1.66 4.12 0.04 4.42 1.43 -0.08 -4.92 118.68 125.35 1swu s LEU 124 Ca 0.04 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1swu s LEU 124 Cb -0.13 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1swu s LEU 124 CO -0.09 -0.13 -0.16 0.54 0.23 0.00 0.00 176.35 176.75 1swu s VAL 125 N -1.93 1.23 0.00 -1.59 0.11 -1.26 -0.84 120.40 116.12 1swu s VAL 125 Ca 0.46 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1swu s VAL 125 Cb -0.11 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1swu s VAL 125 CO 0.24 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1swu n GLY 126 N 1.91 2.13 2.96 6.54 0.00 -0.79 -5.00 105.19 112.94 1swu n GLY 126 Ca -0.18 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1swu n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swu s HIS 127 N -7.15 -0.11 -0.02 1.61 -3.43 -1.26 -0.81 115.29 104.12 1swu s HIS 127 Ca 0.00 0.30 0.03 0.00 -0.80 0.00 0.00 55.06 54.59 1swu s HIS 127 Cb 0.00 0.01 -0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1swu s HIS 127 CO 0.00 -0.07 -0.09 0.34 -2.00 0.00 0.00 174.74 172.92 1swu s ASP 128 N 0.29 1.12 -0.10 7.38 3.68 -0.83 -4.98 116.67 123.23 1swu s ASP 128 Ca -0.02 -0.17 0.01 0.00 2.13 0.00 0.00 52.55 54.50 1swu s ASP 128 Cb -0.03 -0.20 -0.02 0.00 -1.45 0.00 0.00 42.92 41.22 1swu s ASP 128 CO -0.01 0.09 -0.14 0.28 0.13 0.00 0.00 175.17 175.52 1swu s THR 129 N -0.03 2.97 -0.02 1.71 -1.32 -1.26 -1.09 115.64 116.59 1swu s THR 129 Ca 0.01 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.81 1swu s THR 129 Cb -0.06 -2.21 -0.03 0.00 -1.51 0.00 0.00 72.50 68.69 1swu s THR 129 CO -0.00 0.55 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.48 1swu s PHE 130 N 0.01 2.76 0.26 9.09 0.08 0.05 -2.88 117.98 127.34 1swu s PHE 130 Ca -0.04 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.90 1swu s PHE 130 Cb -0.14 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1swu s PHE 130 CO 0.04 0.27 0.10 0.95 -0.10 0.00 0.00 175.22 176.48 1swu s THR 131 N -0.85 0.50 -2.35 0.64 -4.23 -0.56 -1.27 115.64 107.53 1swu s THR 131 Ca 0.14 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.93 1swu s THR 131 Cb -0.11 -2.62 0.63 0.00 1.34 0.00 0.00 72.50 71.74 1swu s THR 131 CO 0.03 0.00 1.84 0.29 -0.54 0.00 0.00 174.62 176.25 1swu n LYS 132 N -0.45 1.49 0.00 3.99 5.02 -1.26 -1.04 118.16 125.90 1swu n LYS 132 Ca 0.00 -0.72 0.06 0.00 -2.02 0.00 0.00 58.31 55.64 1swu n LYS 132 Cb 0.66 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 34.25 1swu n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16