#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swu n GLY 16 N 0.00 0.44 0.14 0.00 0.00 -1.26 -4.92 105.19 99.58 1swu n GLY 16 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1swu n GLY 16 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1swu n ILE 17 N -2.54 1.71 -1.64 -0.61 5.41 -1.26 -4.92 119.36 115.51 1swu n ILE 17 Ca 0.00 -0.60 -0.47 0.00 1.00 0.00 0.00 62.75 62.68 1swu n ILE 17 Cb 0.11 -1.69 -0.04 0.00 -0.71 0.00 0.00 39.64 37.32 1swu n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1swu n THR 18 N -3.50 0.63 0.00 1.39 -1.04 -1.26 -4.77 114.28 105.74 1swu n THR 18 Ca -0.35 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1swu n THR 18 Cb 1.02 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1swu n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swu n GLY 19 N 2.43 0.82 3.74 3.41 0.00 -0.05 -5.00 105.19 110.53 1swu n GLY 19 Ca 0.14 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.90 5.04 0.09 2.61 2.01 -1.26 -1.48 115.64 120.74 1swu s THR 20 Ca 0.00 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1swu s THR 20 Cb 0.00 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1swu s THR 20 CO 0.00 0.54 -0.15 0.26 -0.69 0.00 0.00 174.62 174.57 1swu s TRP 21 N -0.33 1.37 -0.02 4.92 0.52 0.26 -4.63 118.94 121.03 1swu s TRP 21 Ca 0.10 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1swu s TRP 21 Cb -0.12 -0.75 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 1swu s TRP 21 CO 0.01 0.11 -0.12 0.71 0.02 0.00 0.00 176.95 177.68 1swu s TYR 22 N -1.45 1.20 0.00 -1.98 1.51 0.15 -0.97 117.35 115.81 1swu s TYR 22 Ca 0.02 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1swu s TYR 22 Cb -0.09 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1swu s TYR 22 CO 0.03 -0.08 0.00 0.27 -1.11 0.00 0.00 175.55 174.66 1swu n ASN 23 N 3.04 0.00 -1.47 2.29 6.94 -0.89 -1.04 115.26 124.12 1swu n ASN 23 Ca -0.16 -0.95 0.10 0.00 -0.02 0.00 0.00 54.58 53.55 1swu n ASN 23 Cb 0.54 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.30 1swu n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swu n GLN 24 N -0.95 3.40 -0.04 -3.83 0.00 -1.26 -4.34 117.38 110.37 1swu n GLN 24 Ca 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 57.00 54.24 1swu n GLN 24 Cb 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 30.24 28.52 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 1.23 2.02 0.00 2.61 4.77 -1.26 -4.99 117.00 121.38 1swu n LEU 25 Ca 0.25 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1swu n LEU 25 Cb 0.80 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1swu n LEU 25 CO 0.21 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1swu n GLY 26 N -0.82 0.83 3.89 -0.72 0.00 -1.26 -5.06 105.19 102.05 1swu n GLY 26 Ca 0.06 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1swu n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swu s SER 27 N -2.04 6.09 -0.04 1.61 0.01 -1.26 -4.51 113.70 113.56 1swu s SER 27 Ca 0.00 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1swu s SER 27 Cb 0.00 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.46 1swu s SER 27 CO 0.00 0.11 -0.07 -0.89 0.41 0.00 0.00 173.24 172.80 1swu s THR 28 N -1.62 0.69 -0.49 1.44 2.01 -0.04 -2.10 115.64 115.53 1swu s THR 28 Ca 0.33 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1swu s THR 28 Cb -0.12 -0.67 0.13 0.00 0.01 0.00 0.00 72.50 71.85 1swu s THR 28 CO 0.27 0.25 0.35 0.12 -0.69 0.00 0.00 174.62 174.92 1swu s PHE 29 N 0.67 3.46 -0.23 4.92 5.36 -0.14 -0.58 117.98 131.43 1swu s PHE 29 Ca -0.10 -1.99 -0.09 0.00 -0.96 0.00 0.00 56.93 53.79 1swu s PHE 29 Cb -0.13 -3.47 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1swu s PHE 29 CO 0.01 -0.98 0.11 0.42 -1.46 0.00 0.00 175.22 173.31 1swu s ILE 30 N 1.20 4.83 0.02 3.12 1.01 -0.18 -0.58 121.20 130.64 1swu s ILE 30 Ca 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1swu s ILE 30 Cb -0.25 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1swu s ILE 30 CO -0.02 0.36 -0.05 0.54 0.00 0.00 0.00 174.94 175.78 1swu s VAL 31 N 1.14 0.33 -0.15 2.92 0.11 -0.55 -1.20 120.40 123.00 1swu s VAL 31 Ca 0.05 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1swu s VAL 31 Cb -0.14 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1swu s VAL 31 CO 0.04 -0.25 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.56 1swu s THR 32 N -0.94 3.09 -0.51 5.04 2.01 0.21 -0.87 115.64 123.68 1swu s THR 32 Ca -0.07 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1swu s THR 32 Cb -0.07 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.20 1swu s THR 32 CO -0.00 0.50 0.50 0.00 -0.69 0.00 0.00 174.62 174.93 1swu s ALA 33 N 0.66 3.52 0.73 7.40 0.00 -1.26 -1.96 121.76 130.85 1swu s ALA 33 Ca -0.06 -2.12 -0.11 0.00 0.00 0.00 0.00 51.96 49.67 1swu s ALA 33 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1swu s ALA 33 CO 0.02 -1.91 1.08 0.20 0.00 0.00 0.00 175.76 175.15 1swu s GLY 34 N 2.92 1.64 0.54 0.00 0.00 0.45 -4.87 107.32 108.00 1swu s GLY 34 Ca 0.07 -0.16 0.24 0.00 0.00 0.00 0.00 44.72 44.87 1swu s GLY 34 CO 0.07 0.21 2.17 0.00 0.00 0.00 0.00 173.10 175.55 1swu h ALA 35 N -0.82 1.62 -0.34 3.20 0.00 -1.98 -2.32 119.26 118.63 1swu h ALA 35 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1swu h ALA 35 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1swu h ALA 35 CO 0.60 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1swu n ASP 36 N -4.04 2.70 0.00 0.00 5.75 -1.26 -4.93 116.55 114.76 1swu n ASP 36 Ca -0.03 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1swu n ASP 36 Cb 0.13 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.34 0.75 3.80 6.12 0.00 -0.87 -5.03 105.19 111.30 1swu n GLY 37 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 3.23 -0.13 4.61 0.00 -1.25 -1.19 121.76 124.66 1swu s ALA 38 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1swu s ALA 38 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1swu s ALA 38 CO 0.00 0.22 -0.14 -0.51 0.00 0.00 0.00 175.76 175.33 1swu s LEU 39 N -2.39 2.64 0.01 0.00 1.43 -0.25 -0.41 118.68 119.71 1swu s LEU 39 Ca 0.52 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1swu s LEU 39 Cb -0.15 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1swu s LEU 39 CO 0.20 0.15 -0.03 -0.89 0.23 0.00 0.00 176.35 176.01 1swu s THR 40 N 0.44 0.16 -3.08 5.49 2.01 -0.83 -0.99 115.64 118.85 1swu s THR 40 Ca -0.10 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1swu s THR 40 Cb -0.16 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1swu s THR 40 CO 0.05 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 1swu n GLY 41 N 2.49 -0.62 2.98 4.40 0.00 -0.86 -0.62 105.19 112.97 1swu n GLY 41 Ca -0.16 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.98 0.30 -0.10 2.61 -4.23 -0.34 -1.47 115.64 108.41 1swu s THR 42 Ca 0.00 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1swu s THR 42 Cb 0.00 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.48 1swu s THR 42 CO 0.00 -0.25 -0.19 0.12 -0.54 0.00 0.00 174.62 173.75 1swu s PHE 43 N -0.92 2.64 0.20 3.99 2.19 0.18 -1.01 117.98 125.25 1swu s PHE 43 Ca -0.08 -0.78 0.03 0.00 0.33 0.00 0.00 56.93 56.43 1swu s PHE 43 Cb -0.07 -1.74 -0.01 0.00 -1.31 0.00 0.00 43.02 39.90 1swu s PHE 43 CO -0.00 -0.27 0.19 -0.85 1.83 0.00 0.00 175.22 176.12 1swu n GLU 44 N 3.34 0.28 0.00 10.12 0.28 0.26 -0.72 120.64 134.20 1swu n GLU 44 Ca -0.18 -1.88 0.00 0.00 -0.16 0.00 0.00 57.16 54.94 1swu n GLU 44 Cb 0.53 1.59 0.00 0.00 1.43 0.00 0.00 31.44 34.99 1swu n GLU 44 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1swu n SER 45 N -2.15 0.00 -0.17 -1.84 3.41 -1.23 -0.87 113.62 110.77 1swu n SER 45 Ca 0.04 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1swu n SER 45 Cb 0.35 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1swu n SER 45 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1swu n ASN 49 N -1.09 0.00 -0.19 4.04 6.94 -1.26 -3.92 115.26 119.78 1swu n ASN 49 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.61 1swu n ASN 49 Cb 0.00 -0.51 0.33 0.00 -2.36 0.00 0.00 39.78 37.24 1swu n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swu h ALA 50 N -0.33 1.64 0.00 -2.53 0.00 -2.04 -0.83 119.26 115.17 1swu h ALA 50 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1swu h ALA 50 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1swu h ALA 50 CO 0.00 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.90 1swu n GLU 51 N -4.47 0.18 -0.27 0.00 4.71 -1.26 -2.02 120.64 117.52 1swu n GLU 51 Ca 0.10 0.48 0.09 0.00 -0.01 0.00 0.00 57.16 57.81 1swu n GLU 51 Cb 0.18 -1.89 0.24 0.00 -1.01 0.00 0.00 31.44 28.95 1swu n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1swu n SER 52 N -2.24 3.44 -4.69 1.62 3.41 -0.32 -4.84 113.62 110.00 1swu n SER 52 Ca 0.01 -1.99 -0.35 0.00 -0.26 0.00 0.00 58.87 56.29 1swu n SER 52 Cb 0.18 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 1swu n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1swu s ARG 53 N -1.03 3.30 0.03 4.33 0.52 -0.85 -3.47 118.95 121.78 1swu s ARG 53 Ca 0.37 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 1swu s ARG 53 Cb 0.19 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1swu s ARG 53 CO 0.25 0.59 -0.06 0.71 0.02 0.00 0.00 175.30 176.82 1swu s TYR 54 N -0.56 0.49 0.31 -0.53 1.51 0.11 -4.80 117.35 113.88 1swu s TYR 54 Ca 0.10 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1swu s TYR 54 Cb -0.12 -0.31 -0.10 0.00 -0.11 0.00 0.00 41.96 41.32 1swu s TYR 54 CO 0.02 -0.13 1.24 0.08 -1.11 0.00 0.00 175.55 175.66 1swu s VAL 55 N -1.41 2.98 0.07 0.71 1.01 -1.26 -0.65 120.40 121.85 1swu s VAL 55 Ca -0.12 0.98 0.08 0.00 0.00 0.00 0.00 61.98 62.91 1swu s VAL 55 Cb -0.10 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1swu s VAL 55 CO -0.00 0.23 -0.21 -0.22 0.00 0.00 0.00 175.10 174.89 1swu s LEU 56 N -1.59 2.22 -0.07 3.92 0.20 -0.54 -4.39 118.68 118.43 1swu s LEU 56 Ca 0.48 -0.59 -0.11 0.00 0.69 0.00 0.00 54.13 54.60 1swu s LEU 56 Cb -0.37 -0.96 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1swu s LEU 56 CO 0.48 0.13 0.27 -0.89 -0.29 0.00 0.00 176.35 176.05 1swu s THR 57 N -0.94 0.02 0.00 3.68 2.01 -1.04 -2.03 115.64 117.35 1swu s THR 57 Ca 0.07 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1swu s THR 57 Cb -0.09 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1swu s THR 57 CO 0.03 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1swu n GLY 58 N 2.38 1.92 3.03 4.40 0.00 -0.16 -1.22 105.19 115.54 1swu n GLY 58 Ca -0.16 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 0.30 0.42 0.06 1.61 1.81 -0.52 -1.09 118.95 121.54 1swu s ARG 59 Ca 0.00 -0.75 -0.03 0.00 -1.72 0.00 0.00 55.73 53.24 1swu s ARG 59 Cb 0.00 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 1swu s ARG 59 CO 0.00 -0.08 0.02 1.52 -0.68 0.00 0.00 175.30 176.09 1swu s TYR 60 N -2.11 0.41 -0.48 -0.53 1.13 -0.33 -1.40 117.35 114.03 1swu s TYR 60 Ca -0.10 -0.91 -0.28 0.00 -1.41 0.00 0.00 57.07 54.38 1swu s TYR 60 Cb -0.05 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 1swu s TYR 60 CO -0.03 -0.40 1.54 0.34 -2.51 0.00 0.00 175.55 174.48 1swu s ASP 61 N -2.79 6.04 0.00 -0.18 2.15 -0.40 -4.61 116.67 116.89 1swu s ASP 61 Ca 0.05 0.64 0.31 0.00 0.43 0.00 0.00 52.55 53.97 1swu s ASP 61 Cb 0.06 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.74 1swu s ASP 61 CO -0.09 -1.71 2.07 -1.54 -0.17 0.00 0.00 175.17 173.73 1swu n SER 62 N 9.87 0.20 -3.19 -0.34 3.41 -1.26 -4.05 113.62 118.26 1swu n SER 62 Ca 0.17 -0.69 -0.22 0.00 -0.26 0.00 0.00 58.87 57.86 1swu n SER 62 Cb 0.49 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.00 2.60 -0.88 7.33 0.00 -1.26 -5.06 120.51 122.25 1swu n ALA 63 Ca 0.19 -3.65 -0.30 0.00 0.00 0.00 0.00 53.44 49.68 1swu n ALA 63 Cb 0.20 -0.86 0.17 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.06 0.71 0.91 0.00 0.04 -1.26 -4.97 135.00 128.37 1swu s PRO 64 Ca 0.39 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1swu s PRO 64 Cb 0.26 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 33.21 1swu s PRO 64 CO -0.09 -2.70 1.12 0.00 0.04 0.00 0.00 177.00 175.37 1swu s ALA 65 N -2.72 1.46 -0.32 8.56 0.00 -1.26 -4.94 121.76 122.53 1swu s ALA 65 Ca 0.66 0.39 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1swu s ALA 65 Cb -0.21 -3.37 0.49 0.00 0.00 0.00 0.00 23.12 20.03 1swu s ALA 65 CO 0.59 -2.61 1.46 0.25 0.00 0.00 0.00 175.76 175.44 1swu n THR 66 N -4.12 2.63 -0.66 0.00 -2.24 -1.26 -4.62 114.28 104.01 1swu n THR 66 Ca 0.10 -3.05 0.08 0.00 -2.27 0.00 0.00 64.05 58.90 1swu n THR 66 Cb 0.53 -0.52 0.24 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.04 3.77 0.00 3.42 5.68 -1.26 -4.94 116.55 122.18 1swu n ASP 67 Ca 0.37 -2.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1swu n ASP 67 Cb 0.98 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1swu n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swu n GLY 68 N 0.12 0.67 3.80 6.12 0.00 -1.26 -5.07 105.19 109.56 1swu n GLY 68 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.85 5.26 1.05 1.61 0.01 -1.26 -5.05 113.70 112.47 1swu s SER 69 Ca 0.00 1.76 -0.17 0.00 1.31 0.00 0.00 55.95 58.85 1swu s SER 69 Cb 0.00 -2.52 0.24 0.00 0.21 0.00 0.00 66.02 63.95 1swu s SER 69 CO 0.00 -1.52 1.27 -0.83 0.41 0.00 0.00 173.24 172.56 1swu s GLY 70 N -3.30 1.73 -0.34 3.44 0.00 -1.26 -4.81 107.32 102.78 1swu s GLY 70 Ca 0.61 -1.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 1swu s GLY 70 CO 0.49 -0.34 0.17 -1.59 0.00 0.00 0.00 173.10 171.83 1swu s THR 71 N -3.64 4.50 0.44 0.90 2.01 -0.06 -4.73 115.64 115.05 1swu s THR 71 Ca 0.74 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 1swu s THR 71 Cb -0.05 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1swu s THR 71 CO 0.54 -0.11 1.23 0.00 -0.69 0.00 0.00 174.62 175.60 1swu s ALA 72 N 1.56 3.09 0.23 7.40 0.00 -1.26 -0.92 121.76 131.86 1swu s ALA 72 Ca 0.03 1.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 1swu s ALA 72 Cb -0.18 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1swu s ALA 72 CO 0.06 -0.76 0.68 -0.48 0.00 0.00 0.00 175.76 175.26 1swu s LEU 73 N -2.75 -0.38 0.15 0.00 2.34 -0.58 -1.27 118.68 116.20 1swu s LEU 73 Ca 0.61 -0.38 -0.23 0.00 0.06 0.00 0.00 54.13 54.19 1swu s LEU 73 Cb -0.33 2.67 0.07 0.00 -0.56 0.00 0.00 46.19 48.03 1swu s LEU 73 CO 0.42 -1.20 0.64 -0.83 -1.06 0.00 0.00 176.35 174.32 1swu s GLY 74 N -2.85 -0.56 0.19 -3.48 0.00 -0.49 -1.27 107.32 98.86 1swu s GLY 74 Ca 0.07 0.47 -0.16 0.00 0.00 0.00 0.00 44.72 45.11 1swu s GLY 74 CO -0.01 0.16 0.48 0.66 0.00 0.00 0.00 173.10 174.39 1swu s TRP 75 N -3.70 -0.02 0.00 1.90 -2.14 -0.48 -1.43 118.94 113.08 1swu s TRP 75 Ca 0.02 -0.33 0.06 0.00 2.66 0.00 0.00 56.10 58.51 1swu s TRP 75 Cb -0.01 0.31 -0.02 0.00 -3.10 0.00 0.00 33.47 30.65 1swu s TRP 75 CO -0.11 -0.88 -0.19 0.99 -2.66 0.00 0.00 176.95 174.10 1swu s THR 76 N -3.89 1.50 -0.13 0.66 2.01 -0.36 -1.01 115.64 114.42 1swu s THR 76 Ca 0.11 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1swu s THR 76 Cb -0.00 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1swu s THR 76 CO -0.02 0.35 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1swu s VAL 77 N -0.53 1.58 -0.10 3.82 1.01 -0.34 -2.49 120.40 123.35 1swu s VAL 77 Ca 0.07 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1swu s VAL 77 Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1swu s VAL 77 CO -0.00 0.46 0.68 0.00 0.00 0.00 0.00 175.10 176.24 1swu s ALA 78 N 1.20 3.39 -0.99 5.51 0.00 -1.26 -0.90 121.76 128.71 1swu s ALA 78 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1swu s ALA 78 Cb -0.14 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1swu s ALA 78 CO -0.06 -0.19 2.84 0.91 0.00 0.00 0.00 175.76 179.25 1swu n TRP 79 N 4.05 1.89 -4.62 0.00 7.02 0.06 -4.75 117.44 121.10 1swu n TRP 79 Ca -0.01 -2.48 -0.24 0.00 -1.02 0.00 0.00 57.50 53.74 1swu n TRP 79 Cb 0.51 -1.87 -0.16 0.00 -2.42 0.00 0.00 31.31 27.36 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 -0.03 1.66 0.00 -0.99 2.20 -1.26 -1.12 119.74 120.19 1swu s LYS 80 Ca 0.62 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1swu s LYS 80 Cb 0.25 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1swu s LYS 80 CO -0.10 0.08 0.00 0.27 -0.36 0.00 0.00 175.35 175.24 1swu n ASN 81 N 3.63 0.10 0.00 1.43 0.23 -0.42 -4.76 115.26 115.48 1swu n ASN 81 Ca -0.21 -0.77 0.09 0.00 -0.53 0.00 0.00 54.58 53.15 1swu n ASN 81 Cb 0.52 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.64 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 -2.22 0.00 -0.00 0.53 3.02 -1.26 -3.57 115.26 111.75 1swu n ASN 82 Ca 0.00 0.25 0.02 0.00 -0.03 0.00 0.00 54.58 54.83 1swu n ASN 82 Cb 0.00 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.39 0.00 -3.56 3.10 4.01 -1.26 -5.08 117.16 112.98 1swu n TYR 83 Ca 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 1swu n TYR 83 Cb 0.18 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1swu n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swu s ARG 84 N -2.29 1.15 -0.25 -0.72 1.70 -1.23 -5.12 118.95 112.18 1swu s ARG 84 Ca -0.02 -0.50 -0.02 0.00 -0.47 0.00 0.00 55.73 54.73 1swu s ARG 84 Cb 0.03 0.48 0.13 0.00 -0.57 0.00 0.00 34.95 35.03 1swu s ARG 84 CO 0.21 -0.51 0.35 1.21 -1.08 0.00 0.00 175.30 175.48 1swu s ASN 85 N -2.70 0.60 0.00 -2.89 3.84 -1.26 -1.30 114.94 111.24 1swu s ASN 85 Ca 0.06 -0.08 0.23 0.00 0.21 0.00 0.00 52.86 53.27 1swu s ASN 85 Cb -0.02 0.94 0.94 0.00 -0.55 0.00 0.00 41.25 42.57 1swu s ASN 85 CO -0.06 -0.33 1.66 0.00 -2.79 0.00 0.00 177.10 175.58 1swu n ALA 86 N 5.35 2.56 -3.84 1.71 0.00 -0.27 -4.95 120.51 121.05 1swu n ALA 86 Ca -0.03 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 1swu n ALA 86 Cb 0.49 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.06 -1.75 -3.68 0.00 8.25 -1.26 -4.85 115.22 111.99 1swu n HIS 87 Ca 0.17 0.66 -0.10 0.00 -0.26 0.00 0.00 57.72 58.19 1swu n HIS 87 Cb 0.29 -3.72 -0.03 0.00 1.12 0.00 0.00 29.99 27.65 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 -4.10 -0.33 -0.08 0.41 0.01 -1.26 -0.89 113.70 107.46 1swu s SER 88 Ca 0.15 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 1swu s SER 88 Cb -0.05 0.60 0.02 0.00 0.21 0.00 0.00 66.02 66.80 1swu s SER 88 CO 0.87 -1.07 0.24 0.00 0.41 0.00 0.00 173.24 173.69 1swu s ALA 89 N -3.85 -0.61 -0.09 1.44 0.00 -0.22 -0.76 121.76 117.68 1swu s ALA 89 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1swu s ALA 89 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1swu s ALA 89 CO -0.04 -0.13 -0.10 0.99 0.00 0.00 0.00 175.76 176.48 1swu s THR 90 N -0.08 3.43 -0.10 0.00 2.01 -0.08 -1.01 115.64 119.80 1swu s THR 90 Ca -0.02 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1swu s THR 90 Cb -0.02 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1swu s THR 90 CO 0.01 0.56 -0.11 0.42 -0.69 0.00 0.00 174.62 174.81 1swu s THR 91 N -0.31 3.30 -0.19 -0.82 -4.23 -0.33 -1.20 115.64 111.87 1swu s THR 91 Ca 0.04 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 1swu s THR 91 Cb -0.13 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1swu s THR 91 CO 0.02 0.55 0.02 0.26 -0.54 0.00 0.00 174.62 174.93 1swu s TRP 92 N -0.10 3.10 -0.10 3.99 0.51 -0.18 -1.26 118.94 124.91 1swu s TRP 92 Ca -0.01 -0.25 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 1swu s TRP 92 Cb -0.14 -2.06 0.01 0.00 -0.81 0.00 0.00 33.47 30.47 1swu s TRP 92 CO 0.03 -0.08 -0.21 0.45 -0.51 0.00 0.00 176.95 176.64 1swu s SER 93 N 0.70 2.78 0.00 2.95 0.15 -0.08 -1.38 113.70 118.81 1swu s SER 93 Ca 0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1swu s SER 93 Cb -0.14 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1swu s SER 93 CO 0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1swu n GLY 94 N 3.70 1.83 3.11 9.45 0.00 -0.39 -1.45 105.19 121.44 1swu n GLY 94 Ca -0.20 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 1.17 0.42 -0.04 1.61 -2.07 -0.69 -1.52 119.66 118.54 1swu s GLN 95 Ca 0.00 -0.18 -0.20 0.00 -1.82 0.00 0.00 55.36 53.16 1swu s GLN 95 Cb 0.00 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1swu s GLN 95 CO 0.00 -0.10 0.57 -0.47 -1.32 0.00 0.00 175.29 173.97 1swu s TYR 96 N -0.93 3.62 -0.19 9.60 5.04 -0.10 -1.26 117.35 133.14 1swu s TYR 96 Ca -0.10 1.11 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1swu s TYR 96 Cb -0.05 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.68 1swu s TYR 96 CO 0.01 0.28 -0.17 0.08 -1.34 0.00 0.00 175.55 174.41 1swu s VAL 97 N 0.12 2.00 0.00 3.14 1.01 0.27 -0.88 120.40 126.06 1swu s VAL 97 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1swu s VAL 97 Cb -0.17 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1swu s VAL 97 CO 0.15 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1swu n GLY 98 N 4.61 -0.04 0.00 4.51 0.00 -1.26 -1.13 105.19 111.88 1swu n GLY 98 Ca -0.19 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 5.00 -1.52 0.37 -0.02 0.00 -1.26 -4.45 105.19 103.30 1swu n GLY 99 Ca 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 44.01 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 1.73 -2.16 4.61 0.00 -2.07 -2.92 119.26 118.45 1swu h ALA 100 Ca 0.00 0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1swu h ALA 100 Cb 0.00 -0.16 -0.39 0.00 0.00 0.00 0.00 17.79 17.24 1swu h ALA 100 CO 0.00 0.06 -0.26 0.39 0.00 0.00 0.00 179.25 179.44 1swu n GLU 101 N -4.55 2.98 -2.29 0.00 -0.58 -1.26 -5.08 120.64 109.86 1swu n GLU 101 Ca 0.16 -4.64 -0.35 0.00 -0.42 0.00 0.00 57.16 51.91 1swu n GLU 101 Cb 0.38 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1swu n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swu s ALA 102 N -2.51 2.74 0.04 0.62 0.00 -1.11 -4.89 121.76 116.65 1swu s ALA 102 Ca 0.37 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1swu s ALA 102 Cb 0.12 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1swu s ALA 102 CO 0.01 -0.71 0.31 1.03 0.00 0.00 0.00 175.76 176.40 1swu s ARG 103 N -3.22 0.81 -0.25 0.00 3.00 -0.28 -4.37 118.95 114.64 1swu s ARG 103 Ca 0.71 -0.49 0.00 0.00 0.00 0.00 0.00 55.73 55.95 1swu s ARG 103 Cb -0.24 0.35 0.04 0.00 0.00 0.00 0.00 34.95 35.11 1swu s ARG 103 CO 0.27 -0.26 -0.09 0.42 0.00 0.00 0.00 175.30 175.64 1swu s ILE 104 N -2.53 2.55 -0.27 1.52 1.01 -0.25 -0.56 121.20 122.68 1swu s ILE 104 Ca -0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 1swu s ILE 104 Cb -0.01 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1swu s ILE 104 CO -0.03 0.12 0.17 0.20 0.00 0.00 0.00 174.94 175.40 1swu s ASN 105 N 1.23 5.97 0.16 3.58 0.01 -0.39 -0.99 114.94 124.51 1swu s ASN 105 Ca -0.03 -0.00 0.06 0.00 -0.71 0.00 0.00 52.86 52.18 1swu s ASN 105 Cb -0.18 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1swu s ASN 105 CO -0.05 -0.02 -0.13 0.42 -1.51 0.00 0.00 177.10 175.81 1swu s THR 106 N 1.60 1.40 0.17 1.60 -4.23 -0.05 -1.70 115.64 114.42 1swu s THR 106 Ca 0.07 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1swu s THR 106 Cb -0.15 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1swu s THR 106 CO 0.09 -0.61 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.26 1swu s GLN 107 N -3.41 1.64 0.04 3.99 -0.21 -0.53 -2.01 119.66 119.17 1swu s GLN 107 Ca 0.16 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 54.14 1swu s GLN 107 Cb -0.01 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 1swu s GLN 107 CO 0.03 0.43 -0.01 1.67 -2.12 0.00 0.00 175.29 175.29 1swu s TRP 108 N -1.48 0.39 -0.11 0.91 1.48 -0.09 -0.91 118.94 119.12 1swu s TRP 108 Ca 0.20 -0.81 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 1swu s TRP 108 Cb -0.09 -0.29 0.02 0.00 -1.16 0.00 0.00 33.47 31.95 1swu s TRP 108 CO 0.10 -0.31 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.06 1swu s LEU 109 N -2.30 1.49 -0.31 -4.66 1.43 -0.39 -1.93 118.68 112.01 1swu s LEU 109 Ca -0.03 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1swu s LEU 109 Cb 0.00 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.29 1swu s LEU 109 CO -0.06 -0.05 0.06 -0.22 0.23 0.00 0.00 176.35 176.31 1swu s LEU 110 N 1.34 3.98 -0.18 1.79 0.20 -0.01 -1.18 118.68 124.61 1swu s LEU 110 Ca -0.01 -1.02 -0.07 0.00 0.69 0.00 0.00 54.13 53.73 1swu s LEU 110 Cb -0.14 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 1swu s LEU 110 CO -0.06 -0.26 0.05 -0.89 -0.29 0.00 0.00 176.35 174.91 1swu s THR 111 N 1.39 4.61 -0.07 3.68 2.01 -0.18 -0.89 115.64 126.20 1swu s THR 111 Ca -0.01 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 1swu s THR 111 Cb -0.19 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1swu s THR 111 CO 0.01 0.46 0.17 -0.44 -0.69 0.00 0.00 174.62 174.13 1swu s SER 112 N 0.45 6.40 0.20 3.53 0.01 -0.03 -1.05 113.70 123.21 1swu s SER 112 Ca 0.02 0.44 -0.32 0.00 1.31 0.00 0.00 55.95 57.40 1swu s SER 112 Cb -0.13 -2.05 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 1swu s SER 112 CO 0.01 0.35 1.66 -0.83 0.41 0.00 0.00 173.24 174.83 1swu s GLY 113 N -1.40 1.39 0.18 3.44 0.00 -0.07 -4.81 107.32 106.06 1swu s GLY 113 Ca 0.20 1.51 0.01 0.00 0.00 0.00 0.00 44.72 46.44 1swu s GLY 113 CO 0.10 2.77 0.02 -0.51 0.00 0.00 0.00 173.10 175.48 1swu s THR 114 N 1.09 0.61 0.85 0.90 -4.23 -1.26 -5.02 115.64 108.59 1swu s THR 114 Ca 0.72 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1swu s THR 114 Cb -0.47 -2.20 0.10 0.00 1.34 0.00 0.00 72.50 71.26 1swu s THR 114 CO 0.33 -0.39 1.09 0.42 -0.54 0.00 0.00 174.62 175.53 1swu s THR 115 N -3.71 2.84 0.36 3.99 -4.23 -1.26 -4.89 115.64 108.75 1swu s THR 115 Ca 0.26 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1swu s THR 115 Cb 0.06 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1swu s THR 115 CO 0.06 -0.36 1.96 -0.33 -0.54 0.00 0.00 174.62 175.41 1swu h GLU 116 N -1.36 0.59 0.00 3.99 4.39 -2.01 -2.13 114.58 118.05 1swu h GLU 116 Ca -0.48 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 1swu h GLU 116 Cb 1.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1swu h GLU 116 CO 0.56 0.49 -0.09 0.00 -1.16 0.00 0.00 179.01 178.81 1swu h ALA 117 N 1.60 1.42 -0.52 3.43 0.00 -2.06 -2.23 119.26 120.89 1swu h ALA 117 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1swu h ALA 117 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1swu h ALA 117 CO -0.01 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1swu n ASN 118 N -3.80 3.46 0.23 0.00 3.02 -0.85 -4.60 115.26 112.71 1swu n ASN 118 Ca -0.02 -1.97 0.07 0.00 -0.03 0.00 0.00 54.58 52.63 1swu n ASN 118 Cb 0.19 -0.34 0.54 0.00 -0.61 0.00 0.00 39.78 39.55 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 3.55 1.46 -0.13 5.41 0.00 -0.84 -1.69 119.26 127.02 1swu h ALA 119 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1swu h ALA 119 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1swu h ALA 119 CO 0.00 0.27 0.10 0.11 0.00 0.00 0.00 179.25 179.73 1swu h TRP 120 N 0.00 0.00 -0.43 0.00 5.08 -1.81 -1.92 115.95 116.87 1swu h TRP 120 Ca -0.00 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.80 1swu h TRP 120 Cb 0.42 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.48 1swu h TRP 120 CO 0.00 0.00 0.05 0.36 -1.28 0.00 0.00 178.44 177.57 1swu n LYS 121 N -4.32 2.31 0.19 0.12 2.85 -0.64 -4.69 118.16 113.99 1swu n LYS 121 Ca 0.00 -3.07 0.12 0.00 -1.05 0.00 0.00 58.31 54.32 1swu n LYS 121 Cb 0.22 -1.89 0.21 0.00 -0.65 0.00 0.00 35.03 32.92 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 1.33 0.00 -3.20 -5.58 4.64 -1.36 -3.46 113.55 105.92 1swu h SER 122 Ca 0.21 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.01 1swu h SER 122 Cb 1.79 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.51 1swu h SER 122 CO 0.45 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.72 1swu s THR 123 N -3.19 0.97 0.18 2.95 2.01 -1.26 -0.85 115.64 116.45 1swu s THR 123 Ca 0.07 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1swu s THR 123 Cb 0.07 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 1swu s THR 123 CO 0.66 0.36 0.49 -0.76 -0.69 0.00 0.00 174.62 174.68 1swu s LEU 124 N 1.67 4.23 0.08 4.42 1.43 -0.07 -4.93 118.68 125.52 1swu s LEU 124 Ca 0.04 0.85 0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1swu s LEU 124 Cb -0.13 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1swu s LEU 124 CO -0.07 0.01 -0.21 0.54 0.23 0.00 0.00 176.35 176.84 1swu s VAL 125 N -1.69 1.74 0.00 -1.59 0.11 -1.26 -0.83 120.40 116.88 1swu s VAL 125 Ca 0.43 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1swu s VAL 125 Cb -0.12 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1swu s VAL 125 CO 0.21 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1swu n GLY 126 N 1.35 1.77 2.93 6.54 0.00 -0.81 -5.00 105.19 111.98 1swu n GLY 126 Ca -0.19 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 -5.92 0.19 -0.02 1.61 -3.43 -1.26 -0.92 115.29 105.54 1swu s HIS 127 Ca 0.00 -0.24 0.03 0.00 -0.80 0.00 0.00 55.06 54.05 1swu s HIS 127 Cb 0.00 -0.13 -0.00 0.00 -1.43 0.00 0.00 32.58 31.02 1swu s HIS 127 CO 0.00 -0.08 -0.11 -0.51 -2.00 0.00 0.00 174.74 172.04 1swu s ASP 128 N -0.66 1.43 -0.11 7.38 -0.00 -0.85 -4.96 116.67 118.90 1swu s ASP 128 Ca -0.06 -0.22 0.03 0.00 -0.00 0.00 0.00 52.55 52.29 1swu s ASP 128 Cb -0.05 -0.32 -0.01 0.00 -0.00 0.00 0.00 42.92 42.55 1swu s ASP 128 CO -0.00 0.11 -0.20 -0.89 -0.00 0.00 0.00 175.17 174.18 1swu s THR 129 N 0.02 2.45 -0.04 -1.27 2.01 -1.26 -0.87 115.64 116.69 1swu s THR 129 Ca -0.01 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1swu s THR 129 Cb -0.08 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1swu s THR 129 CO 0.00 0.55 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.05 1swu s PHE 130 N 0.29 2.91 0.24 4.92 0.08 -0.16 -4.22 117.98 122.04 1swu s PHE 130 Ca -0.14 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 56.93 1swu s PHE 130 Cb -0.17 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1swu s PHE 130 CO 0.07 0.35 0.01 0.95 -0.10 0.00 0.00 175.22 176.50 1swu s THR 131 N -0.89 1.01 -0.80 0.64 -4.23 -0.21 -1.09 115.64 110.07 1swu s THR 131 Ca 0.14 -2.03 0.26 0.00 -1.18 0.00 0.00 61.69 58.88 1swu s THR 131 Cb -0.11 -2.42 0.13 0.00 1.34 0.00 0.00 72.50 71.44 1swu s THR 131 CO 0.04 -0.26 1.55 0.29 -0.54 0.00 0.00 174.62 175.70 1swu n LYS 132 N -0.45 0.17 0.00 3.99 5.02 -1.26 -0.68 118.16 124.96 1swu n LYS 132 Ca -0.04 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1swu n LYS 132 Cb 0.64 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1swu n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21