#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swb h ILE 17 N 0.00 0.87 -2.45 -0.61 2.04 -1.99 -3.46 117.51 111.92 1swb h ILE 17 Ca 0.00 -2.51 -0.55 0.00 1.00 0.00 0.00 64.86 62.80 1swb h ILE 17 Cb 0.00 2.68 0.05 0.00 -0.74 0.00 0.00 36.82 38.81 1swb h ILE 17 CO 0.00 0.85 1.00 0.41 0.00 0.00 0.00 178.15 180.41 1swb n THR 18 N -3.52 0.18 -0.58 -0.27 -1.04 -1.26 -4.78 114.28 103.00 1swb n THR 18 Ca -0.25 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1swb n THR 18 Cb 1.06 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 1swb n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swb n GLY 19 N 3.96 0.76 3.64 3.41 0.00 -0.66 -5.01 105.19 111.30 1swb n GLY 19 Ca 0.17 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1swb n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swb s THR 20 N -3.01 4.54 0.07 2.61 2.01 -1.26 -1.64 115.64 118.96 1swb s THR 20 Ca 0.00 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.94 1swb s THR 20 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1swb s THR 20 CO 0.00 0.52 -0.21 0.26 -0.69 0.00 0.00 174.62 174.50 1swb s TRP 21 N -0.10 1.85 -0.02 4.92 0.52 0.17 -4.66 118.94 121.62 1swb s TRP 21 Ca 0.05 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.85 1swb s TRP 21 Cb -0.12 -1.07 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1swb s TRP 21 CO 0.02 0.15 -0.22 0.71 0.02 0.00 0.00 176.95 177.63 1swb s TYR 22 N -0.94 1.95 0.58 -1.98 2.02 0.28 -1.03 117.35 118.23 1swb s TYR 22 Ca 0.08 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.50 1swb s TYR 22 Cb -0.09 -1.25 0.09 0.00 -0.40 0.00 0.00 41.96 40.30 1swb s TYR 22 CO 0.03 -0.03 0.76 0.54 -1.57 0.00 0.00 175.55 175.28 1swb s ASN 23 N -0.51 4.99 0.10 2.29 4.22 -1.00 -1.11 114.94 123.93 1swb s ASN 23 Ca 0.08 -0.94 0.27 0.00 -2.14 0.00 0.00 52.86 50.13 1swb s ASN 23 Cb -0.08 0.41 0.89 0.00 1.28 0.00 0.00 41.25 43.74 1swb s ASN 23 CO -0.01 -1.37 1.75 0.00 -2.04 0.00 0.00 177.10 175.43 1swb n GLN 24 N -2.22 0.14 -0.61 3.55 0.00 -1.26 -3.44 117.38 113.54 1swb n GLN 24 Ca 0.14 0.10 0.09 0.00 0.00 0.00 0.00 57.00 57.33 1swb n GLN 24 Cb 0.62 -1.65 0.36 0.00 0.00 0.00 0.00 30.24 29.57 1swb n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swb n LEU 25 N -1.88 4.70 0.00 2.61 4.77 -1.26 -4.96 117.00 120.97 1swb n LEU 25 Ca 0.06 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1swb n LEU 25 Cb 0.39 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1swb n LEU 25 CO 0.30 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1swb n GLY 26 N 1.16 2.77 1.79 -0.72 0.00 -1.22 -5.04 105.19 103.93 1swb n GLY 26 Ca 0.26 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1swb n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swb n SER 27 N 2.40 -1.11 -4.12 1.61 7.64 -1.26 -4.55 113.62 114.21 1swb n SER 27 Ca 0.00 0.52 -0.21 0.00 1.01 0.00 0.00 58.87 60.18 1swb n SER 27 Cb 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 1swb n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swb s THR 28 N -0.72 1.12 -0.01 0.44 2.01 0.13 -2.37 115.64 116.23 1swb s THR 28 Ca 0.33 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1swb s THR 28 Cb -0.42 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1swb s THR 28 CO 0.32 0.19 0.01 0.72 -0.69 0.00 0.00 174.62 175.17 1swb s PHE 29 N -0.55 0.01 -0.28 4.92 -0.12 -0.19 -1.02 117.98 120.74 1swb s PHE 29 Ca 0.04 0.05 -0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1swb s PHE 29 Cb -0.06 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.25 1swb s PHE 29 CO 0.00 -0.03 0.08 0.42 -0.05 0.00 0.00 175.22 175.64 1swb s ILE 30 N 0.35 4.09 0.18 -4.49 1.09 -1.04 0.44 121.20 121.82 1swb s ILE 30 Ca -0.03 -0.53 0.11 0.00 -1.10 0.00 0.00 60.65 59.09 1swb s ILE 30 Cb -0.04 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 1swb s ILE 30 CO -0.01 0.15 -0.23 0.68 -0.10 0.00 0.00 174.94 175.44 1swb s VAL 31 N 1.54 2.20 -0.11 2.92 -7.23 -0.65 -2.01 120.40 117.05 1swb s VAL 31 Ca 0.04 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1swb s VAL 31 Cb -0.17 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1swb s VAL 31 CO 0.03 -0.16 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.54 1swb s THR 32 N -1.73 2.01 -0.40 5.32 2.01 0.16 -1.65 115.64 121.37 1swb s THR 32 Ca 0.19 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1swb s THR 32 Cb -0.08 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1swb s THR 32 CO 0.09 0.55 0.26 0.00 -0.69 0.00 0.00 174.62 174.82 1swb s ALA 33 N 0.53 3.39 0.79 7.40 0.00 -1.26 -1.80 121.76 130.80 1swb s ALA 33 Ca -0.15 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 49.96 1swb s ALA 33 Cb -0.17 -2.76 0.07 0.00 0.00 0.00 0.00 23.12 20.25 1swb s ALA 33 CO 0.05 -1.44 1.09 0.20 0.00 0.00 0.00 175.76 175.65 1swb s GLY 34 N 1.65 1.65 0.48 0.00 0.00 -0.18 -4.94 107.32 105.98 1swb s GLY 34 Ca 0.04 0.05 0.26 0.00 0.00 0.00 0.00 44.72 45.07 1swb s GLY 34 CO 0.08 0.44 1.94 0.00 0.00 0.00 0.00 173.10 175.56 1swb h ALA 35 N -1.13 1.13 -1.54 3.20 0.00 -1.98 -3.16 119.26 115.77 1swb h ALA 35 Ca -0.46 -0.16 -0.70 0.00 0.00 0.00 0.00 54.91 53.59 1swb h ALA 35 Cb 1.25 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.67 1swb h ALA 35 CO 0.55 0.22 0.24 -3.47 0.00 0.00 0.00 179.25 176.79 1swb n ASP 36 N -3.49 6.09 0.00 0.00 2.03 -1.26 -4.90 116.55 115.02 1swb n ASP 36 Ca -0.01 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.58 1swb n ASP 36 Cb 0.34 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1swb n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swb n GLY 37 N -0.29 0.09 3.77 0.27 0.00 -1.19 -4.99 105.19 102.85 1swb n GLY 37 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 1swb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb s ALA 38 N -1.21 3.21 -0.13 4.61 0.00 -1.26 -1.06 121.76 125.92 1swb s ALA 38 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1swb s ALA 38 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1swb s ALA 38 CO 0.00 -0.14 -0.19 -1.17 0.00 0.00 0.00 175.76 174.26 1swb s LEU 39 N -2.15 1.94 0.01 0.00 2.96 -0.37 -1.01 118.68 120.05 1swb s LEU 39 Ca 0.52 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1swb s LEU 39 Cb -0.25 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1swb s LEU 39 CO 0.31 0.05 0.00 0.42 -1.32 0.00 0.00 176.35 175.81 1swb s THR 40 N 0.92 0.07 -0.89 3.68 -4.23 -0.75 -0.78 115.64 113.66 1swb s THR 40 Ca -0.06 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1swb s THR 40 Cb -0.15 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1swb s THR 40 CO -0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1swb n GLY 41 N 2.13 -0.57 3.08 3.99 0.00 -0.86 -0.66 105.19 112.30 1swb n GLY 41 Ca -0.19 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1swb n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swb s THR 42 N -3.08 0.62 -0.12 2.61 -4.23 -0.85 -1.11 115.64 109.47 1swb s THR 42 Ca 0.00 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1swb s THR 42 Cb 0.00 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.15 1swb s THR 42 CO 0.00 -0.37 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.08 1swb s TYR 43 N -1.40 2.74 0.06 3.99 5.04 0.78 -2.50 117.35 126.07 1swb s TYR 43 Ca -0.09 -0.74 0.01 0.00 -2.44 0.00 0.00 57.07 53.81 1swb s TYR 43 Cb -0.10 -1.80 -0.03 0.00 0.35 0.00 0.00 41.96 40.38 1swb s TYR 43 CO 0.01 -0.26 -0.06 -2.00 -1.34 0.00 0.00 175.55 171.90 1swb s GLU 44 N 0.32 0.64 -0.10 4.97 -6.30 -0.19 0.12 118.70 118.16 1swb s GLU 44 Ca -0.13 -1.07 0.05 0.00 -2.50 0.00 0.00 54.97 51.33 1swb s GLU 44 Cb -0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 34.13 33.76 1swb s GLU 44 CO 0.06 -0.02 -0.03 0.43 0.02 0.00 0.00 175.26 175.73 1swb n SER 45 N 0.60 2.95 -1.57 -1.70 7.64 -1.21 0.17 113.62 120.50 1swb n SER 45 Ca -0.17 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1swb n SER 45 Cb 0.58 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1swb n SER 45 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1swb n ASN 49 N -2.56 -8.05 -0.27 6.43 6.94 -1.26 -4.57 115.26 111.92 1swb n ASN 49 Ca -0.17 1.79 0.16 0.00 -0.02 0.00 0.00 54.58 56.34 1swb n ASN 49 Cb 0.75 -4.98 0.44 0.00 -2.36 0.00 0.00 39.78 33.64 1swb n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swb h ALA 50 N 0.16 2.02 0.00 -2.53 0.00 -2.03 0.13 119.26 117.00 1swb h ALA 50 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1swb h ALA 50 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1swb h ALA 50 CO 0.00 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.09 1swb n GLU 51 N -4.57 0.78 -0.21 0.00 0.00 -1.26 -2.45 120.64 112.93 1swb n GLU 51 Ca 0.20 0.01 0.08 0.00 0.00 0.00 0.00 57.16 57.44 1swb n GLU 51 Cb 0.62 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.73 1swb n GLU 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1swb n SER 52 N -1.08 2.94 -4.67 -1.84 7.64 0.44 -4.86 113.62 112.20 1swb n SER 52 Ca 0.20 -2.82 -0.35 0.00 1.01 0.00 0.00 58.87 56.91 1swb n SER 52 Cb 0.13 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 1swb n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1swb s ARG 53 N -2.44 3.67 0.07 1.43 3.52 -1.03 -3.34 118.95 120.84 1swb s ARG 53 Ca 0.31 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1swb s ARG 53 Cb 0.25 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1swb s ARG 53 CO 0.06 0.44 -0.09 0.71 -0.81 0.00 0.00 175.30 175.61 1swb s TYR 54 N -0.10 0.87 0.28 5.12 1.51 0.12 -4.82 117.35 120.34 1swb s TYR 54 Ca 0.06 -0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 55.20 1swb s TYR 54 Cb -0.12 -0.50 -0.09 0.00 -0.11 0.00 0.00 41.96 41.14 1swb s TYR 54 CO 0.01 -0.07 0.96 0.08 -1.11 0.00 0.00 175.55 175.42 1swb s VAL 55 N -2.21 4.06 0.13 0.71 1.01 -1.26 -0.15 120.40 122.69 1swb s VAL 55 Ca 0.00 1.91 0.09 0.00 0.00 0.00 0.00 61.98 63.98 1swb s VAL 55 Cb -0.04 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1swb s VAL 55 CO -0.01 0.32 -0.21 -1.48 0.00 0.00 0.00 175.10 173.73 1swb s LEU 56 N -1.61 2.35 -0.05 3.92 0.05 -0.27 -4.45 118.68 118.62 1swb s LEU 56 Ca 0.46 -0.76 -0.10 0.00 0.05 0.00 0.00 54.13 53.77 1swb s LEU 56 Cb -0.23 -0.93 0.02 0.00 -2.05 0.00 0.00 46.19 43.00 1swb s LEU 56 CO 0.29 0.05 0.25 0.28 -0.55 0.00 0.00 176.35 176.67 1swb s THR 57 N -1.45 0.03 0.09 5.48 -1.32 -0.98 -2.02 115.64 115.47 1swb s THR 57 Ca 0.11 -0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1swb s THR 57 Cb -0.09 -0.46 0.01 0.00 -1.51 0.00 0.00 72.50 70.46 1swb s THR 57 CO 0.06 -0.15 0.17 0.61 -2.21 0.00 0.00 174.62 173.09 1swb n GLY 58 N 2.16 1.86 3.02 6.08 0.00 0.04 -1.67 105.19 116.69 1swb n GLY 58 Ca -0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1swb n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swb s ARG 59 N -2.03 0.43 0.12 1.61 1.81 -0.92 -1.24 118.95 118.72 1swb s ARG 59 Ca 0.04 -0.74 -0.01 0.00 -1.72 0.00 0.00 55.73 53.30 1swb s ARG 59 Cb -0.01 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 1swb s ARG 59 CO 0.03 -0.02 0.04 1.52 -0.68 0.00 0.00 175.30 176.19 1swb s TYR 60 N -1.72 0.81 -0.52 -0.53 1.13 -0.22 -1.72 117.35 114.58 1swb s TYR 60 Ca -0.11 -1.21 -0.28 0.00 -1.41 0.00 0.00 57.07 54.06 1swb s TYR 60 Cb -0.08 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.33 1swb s TYR 60 CO -0.01 -0.50 1.40 0.34 -2.51 0.00 0.00 175.55 174.27 1swb s ASP 61 N -3.03 6.20 0.00 -0.18 -1.08 -0.60 -4.56 116.67 113.43 1swb s ASP 61 Ca 0.21 0.44 0.03 0.00 -0.52 0.00 0.00 52.55 52.72 1swb s ASP 61 Cb 0.08 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 39.14 1swb s ASP 61 CO -0.00 -1.62 1.10 -1.54 0.52 0.00 0.00 175.17 173.63 1swb n SER 62 N 9.31 0.17 -2.96 -0.34 3.41 -1.26 -3.95 113.62 118.00 1swb n SER 62 Ca 0.14 -1.94 -0.15 0.00 -0.26 0.00 0.00 58.87 56.66 1swb n SER 62 Cb 0.49 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1swb n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swb n ALA 63 N -0.44 0.50 -0.91 7.33 0.00 -1.26 -5.05 120.51 120.68 1swb n ALA 63 Ca 0.03 -2.39 -0.29 0.00 0.00 0.00 0.00 53.44 50.79 1swb n ALA 63 Cb 0.03 -1.07 0.19 0.00 0.00 0.00 0.00 19.45 18.61 1swb n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swb s PRO 64 N -0.52 0.26 1.26 0.00 0.04 -1.25 -5.01 135.00 129.78 1swb s PRO 64 Ca 0.33 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1swb s PRO 64 Cb 0.24 -1.69 0.32 0.00 0.04 0.00 0.00 34.50 33.41 1swb s PRO 64 CO -0.14 -2.93 0.99 0.00 0.04 0.00 0.00 177.00 174.97 1swb s ALA 65 N -2.74 -0.52 -0.16 8.56 0.00 -1.26 -5.00 121.76 120.64 1swb s ALA 65 Ca 0.66 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1swb s ALA 65 Cb -0.21 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1swb s ALA 65 CO 0.60 -4.11 0.68 0.25 0.00 0.00 0.00 175.76 173.18 1swb n THR 66 N -5.17 0.28 1.06 0.00 -2.24 -1.26 -4.66 114.28 102.29 1swb n THR 66 Ca 0.07 -0.64 0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1swb n THR 66 Cb 0.57 0.88 0.24 0.00 -2.10 0.00 0.00 70.33 69.92 1swb n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swb n ASP 67 N -0.05 0.00 0.00 3.42 5.68 -1.26 -4.75 116.55 119.59 1swb n ASP 67 Ca 0.01 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 1swb n ASP 67 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1swb n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swb n GLY 68 N 0.05 0.80 3.83 6.12 0.00 -1.26 -5.07 105.19 109.65 1swb n GLY 68 Ca 0.06 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1swb n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swb s SER 69 N -2.05 5.42 0.82 1.61 0.01 -1.26 -5.07 113.70 113.18 1swb s SER 69 Ca 0.00 1.53 -0.10 0.00 1.31 0.00 0.00 55.95 58.69 1swb s SER 69 Cb 0.00 -2.41 0.12 0.00 0.21 0.00 0.00 66.02 63.94 1swb s SER 69 CO 0.00 -1.40 1.15 -0.83 0.41 0.00 0.00 173.24 172.57 1swb s GLY 70 N -3.90 1.71 -0.34 3.44 0.00 -1.26 -4.86 107.32 102.11 1swb s GLY 70 Ca 0.58 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 1swb s GLY 70 CO 0.55 -0.51 0.21 -1.59 0.00 0.00 0.00 173.10 171.75 1swb s THR 71 N -3.52 4.92 0.31 0.90 2.01 -0.58 -4.78 115.64 114.90 1swb s THR 71 Ca 0.66 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 1swb s THR 71 Cb -0.08 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 1swb s THR 71 CO 0.48 -0.04 1.14 0.00 -0.69 0.00 0.00 174.62 175.51 1swb s ALA 72 N 1.65 3.37 0.30 7.40 0.00 -1.26 -1.64 121.76 131.59 1swb s ALA 72 Ca 0.05 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1swb s ALA 72 Cb -0.18 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1swb s ALA 72 CO 0.08 -0.29 0.60 -0.48 0.00 0.00 0.00 175.76 175.67 1swb s LEU 73 N -1.73 0.25 -0.09 0.00 0.05 -0.71 -1.55 118.68 114.91 1swb s LEU 73 Ca 0.48 -1.01 -0.30 0.00 0.05 0.00 0.00 54.13 53.35 1swb s LEU 73 Cb -0.32 2.16 0.10 0.00 -2.05 0.00 0.00 46.19 46.07 1swb s LEU 73 CO 0.42 -1.34 0.84 -0.83 -0.55 0.00 0.00 176.35 174.89 1swb s GLY 74 N -3.05 -0.43 0.17 -3.48 0.00 -0.70 -2.10 107.32 97.74 1swb s GLY 74 Ca 0.20 1.58 -0.15 0.00 0.00 0.00 0.00 44.72 46.35 1swb s GLY 74 CO 0.11 0.90 0.44 0.66 0.00 0.00 0.00 173.10 175.21 1swb s TRP 75 N -1.45 -0.01 0.03 1.90 -2.14 -0.69 -2.16 118.94 114.42 1swb s TRP 75 Ca -0.05 -0.34 0.06 0.00 2.66 0.00 0.00 56.10 58.43 1swb s TRP 75 Cb -0.00 0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 30.60 1swb s TRP 75 CO 0.03 -0.83 -0.17 0.99 -2.66 0.00 0.00 176.95 174.32 1swb s THR 76 N -3.88 1.36 -0.10 0.66 2.01 -0.67 -0.56 115.64 114.46 1swb s THR 76 Ca 0.10 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1swb s THR 76 Cb 0.01 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1swb s THR 76 CO -0.04 0.18 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.27 1swb s VAL 77 N -0.70 1.17 -0.22 3.82 1.01 -0.06 -2.30 120.40 123.11 1swb s VAL 77 Ca 0.05 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1swb s VAL 77 Cb -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1swb s VAL 77 CO 0.01 0.38 0.32 0.00 0.00 0.00 0.00 175.10 175.81 1swb s ALA 78 N 1.17 3.57 -1.52 5.51 0.00 -1.26 0.30 121.76 129.53 1swb s ALA 78 Ca -0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1swb s ALA 78 Cb -0.14 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1swb s ALA 78 CO -0.03 -0.30 2.56 0.91 0.00 0.00 0.00 175.76 178.91 1swb n TRP 79 N 4.49 2.93 -4.17 0.00 7.02 -0.31 -4.77 117.44 122.63 1swb n TRP 79 Ca -0.10 -3.02 -0.21 0.00 -1.02 0.00 0.00 57.50 53.15 1swb n TRP 79 Cb 0.51 -2.46 -0.16 0.00 -2.42 0.00 0.00 31.31 26.78 1swb n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swb s LYS 80 N 2.32 0.91 0.00 -0.99 2.20 -1.26 -1.10 119.74 121.82 1swb s LYS 80 Ca 0.58 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1swb s LYS 80 Cb 0.16 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 1swb s LYS 80 CO -0.07 -0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.10 1swb n ASN 81 N 4.12 0.75 0.23 1.43 0.23 -0.21 -4.80 115.26 117.01 1swb n ASN 81 Ca -0.23 -0.84 0.15 0.00 -0.53 0.00 0.00 54.58 53.12 1swb n ASN 81 Cb 0.51 0.00 0.78 0.00 -2.08 0.00 0.00 39.78 38.99 1swb n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swb h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.94 -3.27 115.58 113.25 1swb h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1swb h ASN 82 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1swb h ASN 82 CO 0.00 0.00 -0.62 -1.22 -1.65 0.00 0.00 177.43 173.94 1swb n TYR 83 N -2.53 0.00 -3.55 1.19 4.01 -1.26 -5.09 117.16 109.93 1swb n TYR 83 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1swb n TYR 83 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1swb n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swb s ARG 84 N -1.53 1.14 -0.14 -0.72 1.70 -1.23 -5.13 118.95 113.04 1swb s ARG 84 Ca 0.00 -0.49 -0.04 0.00 -0.47 0.00 0.00 55.73 54.73 1swb s ARG 84 Cb 0.00 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 1swb s ARG 84 CO 0.00 -0.51 0.18 1.21 -1.08 0.00 0.00 175.30 175.10 1swb s ASN 85 N -2.69 1.17 0.00 -2.89 3.84 -1.26 -1.05 114.94 112.06 1swb s ASN 85 Ca 0.05 0.02 0.23 0.00 0.21 0.00 0.00 52.86 53.37 1swb s ASN 85 Cb -0.02 0.27 0.63 0.00 -0.55 0.00 0.00 41.25 41.58 1swb s ASN 85 CO -0.07 -0.29 1.50 0.00 -2.79 0.00 0.00 177.10 175.45 1swb n ALA 86 N 5.32 2.49 -3.76 1.71 0.00 -0.26 -4.96 120.51 121.05 1swb n ALA 86 Ca -0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1swb n ALA 86 Cb 0.50 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.96 1swb n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swb n HIS 87 N 0.76 -1.84 -3.66 0.00 8.25 -1.26 -4.88 115.22 112.59 1swb n HIS 87 Ca 0.17 0.78 -0.10 0.00 -0.26 0.00 0.00 57.72 58.31 1swb n HIS 87 Cb 0.45 -4.11 -0.04 0.00 1.12 0.00 0.00 29.99 27.41 1swb n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swb s SER 88 N -4.27 -0.30 -0.09 0.41 1.04 -1.26 -2.16 113.70 107.07 1swb s SER 88 Ca 0.05 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 1swb s SER 88 Cb -0.02 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1swb s SER 88 CO 0.84 -0.98 0.23 0.00 0.98 0.00 0.00 173.24 174.31 1swb s ALA 89 N -3.83 -0.57 -0.04 5.32 0.00 -0.62 -1.17 121.76 120.85 1swb s ALA 89 Ca 0.06 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1swb s ALA 89 Cb -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1swb s ALA 89 CO -0.07 -0.12 -0.20 0.99 0.00 0.00 0.00 175.76 176.36 1swb s THR 90 N 0.25 2.56 -0.06 0.00 2.01 0.15 -1.59 115.64 118.96 1swb s THR 90 Ca -0.01 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1swb s THR 90 Cb -0.03 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1swb s THR 90 CO -0.01 0.58 -0.22 0.42 -0.69 0.00 0.00 174.62 174.70 1swb s THR 91 N -0.57 2.30 -0.06 -0.82 -4.23 -0.70 -0.88 115.64 110.68 1swb s THR 91 Ca 0.08 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1swb s THR 91 Cb -0.11 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1swb s THR 91 CO 0.01 0.57 -0.14 0.26 -0.54 0.00 0.00 174.62 174.78 1swb s TRP 92 N -0.23 2.73 -0.10 3.99 0.51 0.27 -1.80 118.94 124.31 1swb s TRP 92 Ca -0.01 -0.23 0.01 0.00 -2.12 0.00 0.00 56.10 53.75 1swb s TRP 92 Cb -0.13 -1.67 0.02 0.00 -0.81 0.00 0.00 33.47 30.88 1swb s TRP 92 CO 0.03 0.13 -0.13 0.45 -0.51 0.00 0.00 176.95 176.92 1swb s SER 93 N -0.56 2.18 0.00 2.95 0.15 0.05 -1.70 113.70 116.77 1swb s SER 93 Ca 0.08 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1swb s SER 93 Cb -0.11 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1swb s SER 93 CO 0.01 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1swb n GLY 94 N 4.24 1.31 3.11 9.45 0.00 -0.89 -0.29 105.19 122.12 1swb n GLY 94 Ca -0.19 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1swb n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swb s GLN 95 N 1.12 0.40 -0.17 1.61 -2.07 -0.22 -1.74 119.66 118.60 1swb s GLN 95 Ca 0.00 -0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.23 1swb s GLN 95 Cb 0.00 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 1swb s GLN 95 CO 0.00 -0.09 0.58 -0.47 -1.32 0.00 0.00 175.29 174.00 1swb s TYR 96 N -0.78 3.42 -0.32 9.60 5.04 -0.65 -0.51 117.35 133.15 1swb s TYR 96 Ca -0.09 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1swb s TYR 96 Cb -0.05 -2.73 0.08 0.00 0.35 0.00 0.00 41.96 39.61 1swb s TYR 96 CO 0.01 -0.07 0.02 0.08 -1.34 0.00 0.00 175.55 174.25 1swb s VAL 97 N 1.52 2.61 0.36 3.14 1.01 0.52 -1.53 120.40 128.03 1swb s VAL 97 Ca 0.28 -1.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.32 1swb s VAL 97 Cb -0.16 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1swb s VAL 97 CO 0.11 -0.35 0.41 0.61 0.00 0.00 0.00 175.10 175.89 1swb n GLY 98 N 4.45 -1.74 0.00 4.51 0.00 -1.26 -0.20 105.19 110.95 1swb n GLY 98 Ca -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1swb n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swb n GLY 99 N 1.35 0.36 0.10 -0.02 0.00 -1.26 -4.48 105.19 101.24 1swb n GLY 99 Ca 0.05 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 1swb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb h ALA 100 N 0.00 -0.03 -1.48 4.61 0.00 -2.06 -3.29 119.26 117.00 1swb h ALA 100 Ca 0.00 -0.69 -0.79 0.00 0.00 0.00 0.00 54.91 53.42 1swb h ALA 100 Cb 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 17.67 1swb h ALA 100 CO 0.00 0.32 1.22 -1.91 0.00 0.00 0.00 179.25 178.88 1swb n GLU 101 N -4.25 4.52 -1.61 0.00 4.07 -1.26 -5.01 120.64 117.11 1swb n GLU 101 Ca -0.14 -4.28 -0.47 0.00 -0.06 0.00 0.00 57.16 52.21 1swb n GLU 101 Cb 0.73 -2.59 -0.03 0.00 -0.06 0.00 0.00 31.44 29.49 1swb n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swb n ALA 102 N 1.58 -0.10 -3.05 4.31 0.00 -1.24 -4.87 120.51 117.13 1swb n ALA 102 Ca 0.36 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 54.12 1swb n ALA 102 Cb 0.32 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 1swb n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swb s ARG 103 N -0.69 0.55 -0.24 0.00 0.52 0.71 -4.27 118.95 115.53 1swb s ARG 103 Ca 0.68 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.42 1swb s ARG 103 Cb -0.76 0.23 0.02 0.00 0.52 0.00 0.00 34.95 34.96 1swb s ARG 103 CO 0.54 -0.14 -0.05 0.42 0.02 0.00 0.00 175.30 176.08 1swb s ILE 104 N -1.67 3.04 -0.19 1.52 1.01 -0.62 -0.35 121.20 123.94 1swb s ILE 104 Ca -0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1swb s ILE 104 Cb -0.06 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1swb s ILE 104 CO 0.01 0.26 0.25 0.20 0.00 0.00 0.00 174.94 175.66 1swb s ASN 105 N 1.38 6.34 0.14 3.58 0.01 0.34 -1.51 114.94 125.21 1swb s ASN 105 Ca 0.02 0.39 0.03 0.00 -0.71 0.00 0.00 52.86 52.59 1swb s ASN 105 Cb -0.16 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1swb s ASN 105 CO -0.04 0.09 -0.05 0.42 -1.51 0.00 0.00 177.10 176.01 1swb s THR 106 N 0.64 0.84 0.08 1.60 -4.23 -0.31 -1.05 115.64 113.21 1swb s THR 106 Ca 0.14 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1swb s THR 106 Cb -0.13 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1swb s THR 106 CO 0.03 -0.68 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.11 1swb s GLN 107 N -3.84 1.81 0.13 3.99 -0.21 0.60 -2.47 119.66 119.68 1swb s GLN 107 Ca 0.18 -1.13 0.04 0.00 0.02 0.00 0.00 55.36 54.47 1swb s GLN 107 Cb 0.05 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 1swb s GLN 107 CO 0.00 0.50 -0.10 1.67 -2.12 0.00 0.00 175.29 175.24 1swb s TRP 108 N -0.97 1.19 -0.05 0.91 1.48 0.44 -0.77 118.94 121.17 1swb s TRP 108 Ca 0.14 -0.71 0.04 0.00 -1.06 0.00 0.00 56.10 54.51 1swb s TRP 108 Cb -0.10 -0.62 -0.00 0.00 -1.16 0.00 0.00 33.47 31.58 1swb s TRP 108 CO 0.06 0.05 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.31 1swb s LEU 109 N -2.86 1.91 -0.16 -4.66 1.43 -0.75 -1.85 118.68 111.75 1swb s LEU 109 Ca 0.12 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1swb s LEU 109 Cb 0.00 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1swb s LEU 109 CO 0.00 0.15 -0.17 -0.22 0.23 0.00 0.00 176.35 176.34 1swb s LEU 110 N 0.09 1.90 -0.11 1.79 2.96 -0.48 -1.72 118.68 123.11 1swb s LEU 110 Ca -0.06 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1swb s LEU 110 Cb -0.12 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1swb s LEU 110 CO 0.03 -0.02 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.06 1swb s THR 111 N 1.36 3.51 -0.11 3.68 2.01 -0.62 -1.06 115.64 124.41 1swb s THR 111 Ca 0.04 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1swb s THR 111 Cb -0.13 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1swb s THR 111 CO -0.11 0.54 0.15 -0.44 -0.69 0.00 0.00 174.62 174.07 1swb s SER 112 N -0.09 6.40 0.20 3.53 0.01 -0.79 -1.59 113.70 121.37 1swb s SER 112 Ca 0.00 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 1swb s SER 112 Cb -0.13 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 1swb s SER 112 CO 0.03 0.40 1.27 -0.83 0.41 0.00 0.00 173.24 174.52 1swb s GLY 113 N -1.10 2.56 0.10 3.44 0.00 -0.92 -4.86 107.32 106.55 1swb s GLY 113 Ca 0.16 1.06 -0.05 0.00 0.00 0.00 0.00 44.72 45.90 1swb s GLY 113 CO 0.05 1.99 0.12 -0.51 0.00 0.00 0.00 173.10 174.75 1swb s THR 114 N -0.02 0.14 0.71 0.90 -4.23 -1.26 -5.03 115.64 106.85 1swb s THR 114 Ca 0.55 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1swb s THR 114 Cb -0.35 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 71.85 1swb s THR 114 CO 0.38 -0.63 1.07 0.42 -0.54 0.00 0.00 174.62 175.33 1swb s THR 115 N -3.94 3.84 0.28 3.99 -4.23 -1.26 -4.89 115.64 109.43 1swb s THR 115 Ca 0.12 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 1swb s THR 115 Cb 0.06 -3.42 0.28 0.00 1.34 0.00 0.00 72.50 70.76 1swb s THR 115 CO -0.06 -0.78 1.84 -0.33 -0.54 0.00 0.00 174.62 174.75 1swb h GLU 116 N -0.73 0.96 -0.52 3.99 5.08 -2.02 -0.86 114.58 120.48 1swb h GLU 116 Ca -0.45 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1swb h GLU 116 Cb 1.23 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1swb h GLU 116 CO 0.59 0.64 0.36 0.00 -1.00 0.00 0.00 179.01 179.60 1swb h ALA 117 N 1.53 2.18 -0.41 3.43 0.00 -2.07 -2.17 119.26 121.76 1swb h ALA 117 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1swb h ALA 117 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1swb h ALA 117 CO -0.26 -0.31 0.00 0.09 0.00 0.00 0.00 179.25 178.76 1swb n ASN 118 N -4.45 3.33 -0.04 0.00 3.02 -0.36 -4.66 115.26 112.10 1swb n ASN 118 Ca 0.09 -1.94 0.05 0.00 -0.03 0.00 0.00 54.58 52.74 1swb n ASN 118 Cb 0.43 -0.26 0.41 0.00 -0.61 0.00 0.00 39.78 39.75 1swb n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swb h ALA 119 N 3.85 1.71 -0.16 5.41 0.00 -1.02 -2.74 119.26 126.32 1swb h ALA 119 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1swb h ALA 119 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1swb h ALA 119 CO 0.00 0.25 0.20 0.11 0.00 0.00 0.00 179.25 179.81 1swb h TRP 120 N 0.60 0.00 -0.26 0.00 5.08 -1.83 -0.11 115.95 119.43 1swb h TRP 120 Ca 0.19 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.02 1swb h TRP 120 Cb 0.01 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.09 1swb h TRP 120 CO -0.00 0.00 -0.18 0.36 -1.28 0.00 0.00 178.44 177.34 1swb n LYS 121 N -3.68 1.78 0.11 0.12 2.85 -1.03 -4.72 118.16 113.58 1swb n LYS 121 Ca 0.01 -3.21 0.12 0.00 -1.05 0.00 0.00 58.31 54.18 1swb n LYS 121 Cb 0.32 -1.77 0.15 0.00 -0.65 0.00 0.00 35.03 33.09 1swb n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swb h SER 122 N 1.00 0.00 -3.20 -5.58 4.64 -1.08 -3.47 113.55 105.86 1swb h SER 122 Ca 0.16 -0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.84 1swb h SER 122 Cb 1.49 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.21 1swb h SER 122 CO 0.29 0.04 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.59 1swb s THR 123 N -3.22 1.21 0.21 2.95 2.01 -1.26 -1.89 115.64 115.65 1swb s THR 123 Ca 0.05 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 1swb s THR 123 Cb 0.11 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 1swb s THR 123 CO 0.71 0.34 0.48 -0.76 -0.69 0.00 0.00 174.62 174.70 1swb s LEU 124 N 1.62 4.19 0.07 4.42 1.43 -0.22 -4.92 118.68 125.26 1swb s LEU 124 Ca 0.04 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 1swb s LEU 124 Cb -0.13 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1swb s LEU 124 CO -0.09 -0.05 -0.16 0.54 0.23 0.00 0.00 176.35 176.82 1swb s VAL 125 N -1.81 1.29 0.00 -1.59 0.11 -1.26 -1.39 120.40 115.75 1swb s VAL 125 Ca 0.44 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1swb s VAL 125 Cb -0.11 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1swb s VAL 125 CO 0.25 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1swb n GLY 126 N 1.43 2.12 3.09 6.54 0.00 -0.77 -5.00 105.19 112.60 1swb n GLY 126 Ca -0.20 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 1swb n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swb s HIS 127 N -4.29 0.35 -0.02 1.61 -3.43 -1.26 -0.42 115.29 107.83 1swb s HIS 127 Ca 0.00 -0.78 -0.08 0.00 -0.80 0.00 0.00 55.06 53.40 1swb s HIS 127 Cb 0.00 -0.26 0.01 0.00 -1.43 0.00 0.00 32.58 30.90 1swb s HIS 127 CO 0.00 -0.37 0.16 0.34 -2.00 0.00 0.00 174.74 172.87 1swb s ASP 128 N -2.48 -0.04 -0.07 7.38 -1.08 -1.03 -4.94 116.67 114.41 1swb s ASP 128 Ca 0.00 -0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.01 1swb s ASP 128 Cb 0.03 0.25 0.01 0.00 -1.46 0.00 0.00 42.92 41.75 1swb s ASP 128 CO -0.07 -0.30 -0.16 -0.89 0.52 0.00 0.00 175.17 174.27 1swb s THR 129 N -1.02 1.39 -0.03 1.71 2.01 -1.26 -1.16 115.64 117.29 1swb s THR 129 Ca -0.11 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.31 1swb s THR 129 Cb -0.06 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1swb s THR 129 CO 0.01 0.41 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.77 1swb s PHE 130 N 0.47 2.46 0.34 4.92 0.08 -0.57 -4.30 117.98 121.38 1swb s PHE 130 Ca -0.13 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.61 1swb s PHE 130 Cb -0.15 -1.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1swb s PHE 130 CO 0.05 0.04 0.06 0.95 -0.10 0.00 0.00 175.22 176.22 1swb s THR 131 N -0.66 1.13 -0.84 0.64 -4.23 -0.26 -1.58 115.64 109.83 1swb s THR 131 Ca 0.11 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.86 1swb s THR 131 Cb -0.10 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.03 1swb s THR 131 CO -0.00 0.00 1.38 0.29 -0.54 0.00 0.00 174.62 175.75 1swb n LYS 132 N -0.73 0.13 0.00 3.99 5.02 -1.26 -0.55 118.16 124.75 1swb n LYS 132 Ca -0.03 0.03 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1swb n LYS 132 Cb 0.66 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1swb n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21