#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swj h ILE 17 N 0.00 1.30 -2.39 -0.61 2.04 -1.98 -3.44 117.51 112.43 1swj h ILE 17 Ca 0.00 -2.60 -0.55 0.00 1.00 0.00 0.00 64.86 62.70 1swj h ILE 17 Cb 0.00 2.86 0.04 0.00 -0.74 0.00 0.00 36.82 38.99 1swj h ILE 17 CO 0.00 0.78 1.03 0.41 0.00 0.00 0.00 178.15 180.37 1swj n THR 18 N -3.74 0.27 -2.46 -0.27 -1.04 -1.26 -4.81 114.28 100.97 1swj n THR 18 Ca -0.15 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1swj n THR 18 Cb 1.04 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1swj n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swj n GLY 19 N 4.04 -1.86 3.53 3.41 0.00 -0.62 -5.00 105.19 108.70 1swj n GLY 19 Ca 0.18 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1swj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swj s THR 20 N -2.64 4.81 0.09 2.61 2.01 -1.26 -1.60 115.64 119.67 1swj s THR 20 Ca 0.00 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1swj s THR 20 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1swj s THR 20 CO 0.00 0.32 -0.19 0.26 -0.69 0.00 0.00 174.62 174.32 1swj s TRP 21 N 1.50 2.53 -0.03 4.92 0.52 0.14 -4.57 118.94 123.95 1swj s TRP 21 Ca 0.06 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 55.96 1swj s TRP 21 Cb -0.15 -1.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 1swj s TRP 21 CO 0.06 0.33 -0.16 0.71 0.02 0.00 0.00 176.95 177.91 1swj s TYR 22 N -1.06 1.59 0.00 -1.98 1.51 -0.40 0.05 117.35 117.06 1swj s TYR 22 Ca 0.16 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1swj s TYR 22 Cb -0.10 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1swj s TYR 22 CO 0.08 -0.12 0.00 0.27 -1.11 0.00 0.00 175.55 174.67 1swj n ASN 23 N 3.04 0.00 0.25 2.29 6.94 -0.45 -1.67 115.26 125.66 1swj n ASN 23 Ca -0.17 -0.87 0.09 0.00 -0.02 0.00 0.00 54.58 53.61 1swj n ASN 23 Cb 0.53 0.00 0.65 0.00 -2.36 0.00 0.00 39.78 38.61 1swj n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1swj h GLN 24 N 0.00 0.00 -0.75 -3.83 -0.00 -1.90 -2.81 115.11 105.82 1swj h GLN 24 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.32 1swj h GLN 24 Cb 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 27.28 1swj h GLN 24 CO 0.00 0.09 0.35 1.28 -0.00 0.00 0.00 178.83 180.55 1swj n LEU 25 N -4.19 5.86 -0.30 0.06 4.77 -1.26 -4.90 117.00 117.04 1swj n LEU 25 Ca -0.03 -3.50 -0.04 0.00 -0.03 0.00 0.00 56.01 52.42 1swj n LEU 25 Cb 0.17 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1swj n LEU 25 CO 0.33 1.00 -0.04 0.61 -1.33 0.00 0.00 177.39 177.96 1swj n GLY 26 N -0.81 0.55 3.79 -0.72 0.00 -1.06 -4.99 105.19 101.95 1swj n GLY 26 Ca 0.47 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 1swj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swj s SER 27 N -2.26 5.88 -0.09 1.61 0.01 -1.26 -4.82 113.70 112.78 1swj s SER 27 Ca 0.00 2.03 0.04 0.00 1.31 0.00 0.00 55.95 59.33 1swj s SER 27 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1swj s SER 27 CO 0.00 -1.10 -0.23 -0.89 0.41 0.00 0.00 173.24 171.43 1swj s THR 28 N -1.99 1.95 -0.16 1.44 2.01 0.49 -1.35 115.64 118.03 1swj s THR 28 Ca 0.69 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1swj s THR 28 Cb -0.20 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1swj s THR 28 CO 0.27 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.19 1swj s PHE 29 N 0.28 2.61 -0.27 4.92 0.40 0.11 -0.64 117.98 125.40 1swj s PHE 29 Ca -0.16 -1.48 -0.05 0.00 -0.60 0.00 0.00 56.93 54.64 1swj s PHE 29 Cb -0.17 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1swj s PHE 29 CO 0.07 -0.73 0.03 0.42 0.70 0.00 0.00 175.22 175.71 1swj s ILE 30 N 1.23 3.68 0.09 0.64 1.01 0.33 0.28 121.20 128.46 1swj s ILE 30 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1swj s ILE 30 Cb -0.13 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1swj s ILE 30 CO -0.10 0.17 -0.19 0.54 0.00 0.00 0.00 174.94 175.36 1swj s VAL 31 N 1.47 1.52 -0.11 2.92 0.11 -0.62 -0.07 120.40 125.62 1swj s VAL 31 Ca 0.03 -1.45 0.03 0.00 -2.93 0.00 0.00 61.98 57.66 1swj s VAL 31 Cb -0.16 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.29 1swj s VAL 31 CO 0.00 -0.09 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.59 1swj s THR 32 N -1.17 1.77 -0.49 5.04 2.01 0.13 -1.59 115.64 121.35 1swj s THR 32 Ca 0.04 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 1swj s THR 32 Cb -0.10 -1.57 0.11 0.00 0.01 0.00 0.00 72.50 70.95 1swj s THR 32 CO 0.03 0.50 0.39 0.00 -0.69 0.00 0.00 174.62 174.85 1swj s ALA 33 N 0.68 3.48 0.79 7.40 0.00 -1.26 -0.87 121.76 131.99 1swj s ALA 33 Ca -0.12 -2.44 -0.11 0.00 0.00 0.00 0.00 51.96 49.29 1swj s ALA 33 Cb -0.16 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 20.06 1swj s ALA 33 CO 0.03 -1.89 1.11 0.20 0.00 0.00 0.00 175.76 175.21 1swj s GLY 34 N 2.89 1.78 0.38 0.00 0.00 -0.00 -4.91 107.32 107.46 1swj s GLY 34 Ca 0.04 0.41 0.28 0.00 0.00 0.00 0.00 44.72 45.45 1swj s GLY 34 CO 0.02 0.78 1.82 0.00 0.00 0.00 0.00 173.10 175.71 1swj h ALA 35 N -1.10 1.00 -0.00 3.20 0.00 -1.99 -2.21 119.26 118.16 1swj h ALA 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1swj h ALA 35 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1swj h ALA 35 CO 0.49 0.00 -0.03 -0.40 0.00 0.00 0.00 179.25 179.31 1swj n ASP 36 N -2.64 0.16 0.00 0.00 5.75 -1.26 -4.89 116.55 113.68 1swj n ASP 36 Ca 0.02 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 1swj n ASP 36 Cb 0.30 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1swj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swj n GLY 37 N 1.23 0.72 3.81 6.12 0.00 -0.83 -4.92 105.19 111.32 1swj n GLY 37 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1swj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swj s ALA 38 N -2.00 3.30 -0.15 4.61 0.00 -1.25 -1.62 121.76 124.65 1swj s ALA 38 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1swj s ALA 38 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1swj s ALA 38 CO 0.00 0.26 -0.18 -0.51 0.00 0.00 0.00 175.76 175.33 1swj s LEU 39 N -2.21 2.32 0.06 0.00 1.02 -0.77 -0.82 118.68 118.27 1swj s LEU 39 Ca 0.48 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.11 1swj s LEU 39 Cb -0.16 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1swj s LEU 39 CO 0.21 0.08 -0.05 0.42 0.02 0.00 0.00 176.35 177.03 1swj s THR 40 N 0.81 0.41 -3.67 5.49 -4.23 -0.04 -1.69 115.64 112.72 1swj s THR 40 Ca -0.06 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1swj s THR 40 Cb -0.15 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1swj s THR 40 CO -0.01 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1swj n GLY 41 N 0.64 -0.56 3.13 3.99 0.00 -0.99 0.22 105.19 111.62 1swj n GLY 41 Ca -0.17 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1swj n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swj s THR 42 N -3.72 1.06 -0.13 2.61 2.01 0.89 -1.51 115.64 116.85 1swj s THR 42 Ca 0.00 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1swj s THR 42 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1swj s THR 42 CO 0.00 0.01 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.40 1swj s TYR 43 N -0.82 2.96 0.41 4.92 6.14 0.80 -0.51 117.35 131.24 1swj s TYR 43 Ca 0.01 -0.31 0.05 0.00 0.64 0.00 0.00 57.07 57.46 1swj s TYR 43 Cb -0.08 -1.88 -0.06 0.00 0.42 0.00 0.00 41.96 40.36 1swj s TYR 43 CO 0.01 -0.00 0.03 -2.00 0.64 0.00 0.00 175.55 174.23 1swj s GLU 44 N 0.12 1.94 -0.04 4.97 -6.30 0.19 0.89 118.70 120.47 1swj s GLU 44 Ca -0.03 -2.13 -0.20 0.00 -2.50 0.00 0.00 54.97 50.11 1swj s GLU 44 Cb -0.14 -1.40 -0.14 0.00 0.00 0.00 0.00 34.13 32.46 1swj s GLU 44 CO 0.03 -0.17 0.85 0.00 0.02 0.00 0.00 175.26 176.00 1swj h ALA 50 N 1.76 -0.33 0.00 6.30 0.00 -2.06 1.43 119.26 126.35 1swj h ALA 50 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1swj h ALA 50 Cb 1.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1swj h ALA 50 CO 0.76 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.01 1swj n GLU 51 N -5.01 0.09 -0.46 0.00 4.71 -1.26 -3.44 120.64 115.26 1swj n GLU 51 Ca -0.08 0.13 0.08 0.00 -0.01 0.00 0.00 57.16 57.29 1swj n GLU 51 Cb 0.25 -1.61 0.27 0.00 -1.01 0.00 0.00 31.44 29.34 1swj n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1swj n SER 52 N -1.76 3.97 -4.64 1.62 3.41 -1.26 -4.77 113.62 110.19 1swj n SER 52 Ca 0.06 -2.99 -0.35 0.00 -0.26 0.00 0.00 58.87 55.33 1swj n SER 52 Cb 0.33 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 1swj n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1swj s ARG 53 N -2.78 3.13 0.02 4.33 3.52 -1.22 -4.14 118.95 121.80 1swj s ARG 53 Ca 0.42 -0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1swj s ARG 53 Cb 0.34 -2.82 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1swj s ARG 53 CO 0.09 0.60 -0.02 0.71 -0.81 0.00 0.00 175.30 175.88 1swj s TYR 54 N -0.61 0.22 0.38 5.12 2.02 0.26 -4.83 117.35 119.91 1swj s TYR 54 Ca 0.10 -0.45 -0.27 0.00 -0.37 0.00 0.00 57.07 56.08 1swj s TYR 54 Cb -0.12 -0.16 -0.09 0.00 -0.40 0.00 0.00 41.96 41.19 1swj s TYR 54 CO 0.02 -0.17 1.25 0.08 -1.57 0.00 0.00 175.55 175.17 1swj s VAL 55 N -1.27 2.83 0.02 0.71 1.01 -1.26 -0.14 120.40 122.30 1swj s VAL 55 Ca -0.14 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1swj s VAL 55 Cb -0.09 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1swj s VAL 55 CO -0.01 0.12 -0.13 -1.48 0.00 0.00 0.00 175.10 173.60 1swj s LEU 56 N -2.26 2.12 -0.01 3.92 0.05 -0.57 -4.40 118.68 117.54 1swj s LEU 56 Ca 0.55 -0.38 -0.02 0.00 0.05 0.00 0.00 54.13 54.33 1swj s LEU 56 Cb -0.36 -0.59 -0.00 0.00 -2.05 0.00 0.00 46.19 43.19 1swj s LEU 56 CO 0.46 0.06 0.04 0.28 -0.55 0.00 0.00 176.35 176.64 1swj s THR 57 N -0.67 0.02 0.00 5.48 -1.32 -0.95 -2.35 115.64 115.85 1swj s THR 57 Ca 0.02 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1swj s THR 57 Cb -0.07 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 1swj s THR 57 CO 0.01 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1swj n GLY 58 N 2.72 2.21 3.07 6.08 0.00 -0.68 -0.57 105.19 118.02 1swj n GLY 58 Ca -0.15 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1swj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swj s ARG 59 N -1.15 0.47 0.07 1.61 1.81 -0.67 -1.84 118.95 119.25 1swj s ARG 59 Ca 0.00 -0.66 -0.05 0.00 -1.72 0.00 0.00 55.73 53.29 1swj s ARG 59 Cb 0.00 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 1swj s ARG 59 CO 0.00 -0.10 0.10 1.52 -0.68 0.00 0.00 175.30 176.13 1swj s TYR 60 N -2.05 0.30 -0.50 -0.53 1.13 -0.64 -1.61 117.35 113.44 1swj s TYR 60 Ca -0.10 -0.78 -0.28 0.00 -1.41 0.00 0.00 57.07 54.50 1swj s TYR 60 Cb -0.05 -0.20 0.01 0.00 -1.10 0.00 0.00 41.96 40.62 1swj s TYR 60 CO -0.02 -0.47 1.45 0.34 -2.51 0.00 0.00 175.55 174.34 1swj s ASP 61 N -2.85 6.14 -0.10 -0.18 2.15 -0.24 -4.65 116.67 116.94 1swj s ASP 61 Ca 0.05 0.51 0.05 0.00 0.43 0.00 0.00 52.55 53.59 1swj s ASP 61 Cb 0.06 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.45 1swj s ASP 61 CO -0.10 -1.65 1.00 -1.54 -0.17 0.00 0.00 175.17 172.70 1swj n SER 62 N 9.53 2.85 -2.85 -0.34 3.41 -1.26 -4.07 113.62 120.89 1swj n SER 62 Ca 0.15 -2.37 -0.12 0.00 -0.26 0.00 0.00 58.87 56.27 1swj n SER 62 Cb 0.49 -0.58 0.05 0.00 -0.26 0.00 0.00 64.21 63.92 1swj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swj n ALA 63 N 0.22 -0.11 -0.49 7.33 0.00 -1.26 -5.02 120.51 121.18 1swj n ALA 63 Ca 0.11 -1.97 -0.29 0.00 0.00 0.00 0.00 53.44 51.30 1swj n ALA 63 Cb 0.63 -1.11 0.25 0.00 0.00 0.00 0.00 19.45 19.22 1swj n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1swj n PRO 64 N 0.53 -2.44 -1.23 0.00 -0.04 -1.26 -4.99 135.00 125.56 1swj n PRO 64 Ca 0.11 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.59 1swj n PRO 64 Cb 0.68 -2.13 0.24 0.00 -0.04 0.00 0.00 33.50 32.25 1swj n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1swj s ALA 65 N -2.39 0.86 -0.05 0.55 0.00 -1.26 -5.00 121.76 114.47 1swj s ALA 65 Ca 0.68 -1.11 0.12 0.00 0.00 0.00 0.00 51.96 51.65 1swj s ALA 65 Cb -0.25 -2.82 0.23 0.00 0.00 0.00 0.00 23.12 20.29 1swj s ALA 65 CO 0.65 -3.51 1.11 0.25 0.00 0.00 0.00 175.76 174.26 1swj n THR 66 N -4.67 0.66 1.84 0.00 -2.24 -1.26 -4.65 114.28 103.96 1swj n THR 66 Ca 0.15 -1.16 0.03 0.00 -2.27 0.00 0.00 64.05 60.81 1swj n THR 66 Cb 0.60 0.40 0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1swj n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swj n ASP 67 N -0.29 0.28 0.00 3.42 5.75 -1.26 -4.81 116.55 119.64 1swj n ASP 67 Ca 0.07 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1swj n ASP 67 Cb 0.81 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1swj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swj n GLY 68 N 0.65 0.86 3.78 6.12 0.00 -1.26 -5.09 105.19 110.24 1swj n GLY 68 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1swj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swj s SER 69 N -2.26 5.62 1.11 1.61 0.01 -1.26 -5.05 113.70 113.48 1swj s SER 69 Ca 0.00 2.02 -0.15 0.00 1.31 0.00 0.00 55.95 59.13 1swj s SER 69 Cb 0.00 -2.56 0.24 0.00 0.21 0.00 0.00 66.02 63.91 1swj s SER 69 CO 0.00 -1.28 1.09 -0.83 0.41 0.00 0.00 173.24 172.62 1swj s GLY 70 N -2.24 1.56 -0.27 3.44 0.00 -1.26 -4.78 107.32 103.76 1swj s GLY 70 Ca 0.69 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 1swj s GLY 70 CO 0.32 0.16 0.25 -1.59 0.00 0.00 0.00 173.10 172.25 1swj s THR 71 N -2.91 5.27 0.35 0.90 2.01 -0.67 -4.75 115.64 115.84 1swj s THR 71 Ca 0.68 0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.73 1swj s THR 71 Cb -0.16 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1swj s THR 71 CO 0.58 0.22 1.01 0.00 -0.69 0.00 0.00 174.62 175.74 1swj s ALA 72 N 1.83 3.19 0.34 7.40 0.00 -1.26 -1.92 121.76 131.34 1swj s ALA 72 Ca 0.10 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 1swj s ALA 72 Cb -0.16 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1swj s ALA 72 CO 0.10 -0.04 0.55 -0.48 0.00 0.00 0.00 175.76 175.89 1swj s LEU 73 N -2.19 0.67 -0.13 0.00 0.05 -0.78 -1.08 118.68 115.22 1swj s LEU 73 Ca 0.52 -1.32 -0.33 0.00 0.05 0.00 0.00 54.13 53.05 1swj s LEU 73 Cb -0.22 1.83 0.13 0.00 -2.05 0.00 0.00 46.19 45.88 1swj s LEU 73 CO 0.28 -1.36 1.14 -0.83 -0.55 0.00 0.00 176.35 175.03 1swj s GLY 74 N -3.16 -0.34 0.29 -3.48 0.00 -0.63 -2.29 107.32 97.70 1swj s GLY 74 Ca 0.26 1.37 -0.16 0.00 0.00 0.00 0.00 44.72 46.18 1swj s GLY 74 CO 0.16 0.44 0.63 0.66 0.00 0.00 0.00 173.10 175.00 1swj s TRP 75 N -2.59 0.11 0.00 1.90 -2.14 -0.63 -1.67 118.94 113.92 1swj s TRP 75 Ca 0.09 -0.56 0.02 0.00 2.66 0.00 0.00 56.10 58.31 1swj s TRP 75 Cb -0.01 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.86 1swj s TRP 75 CO -0.05 -1.19 -0.06 0.99 -2.66 0.00 0.00 176.95 173.98 1swj s THR 76 N -3.69 0.43 -0.06 0.66 2.01 0.26 -1.26 115.64 113.99 1swj s THR 76 Ca 0.17 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1swj s THR 76 Cb -0.04 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1swj s THR 76 CO 0.09 0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.29 1swj s VAL 77 N -0.36 0.72 -0.23 3.82 1.01 -0.65 -2.24 120.40 122.48 1swj s VAL 77 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1swj s VAL 77 Cb -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1swj s VAL 77 CO -0.00 0.28 0.22 0.00 0.00 0.00 0.00 175.10 175.59 1swj s ALA 78 N 1.09 3.60 -1.56 5.51 0.00 -1.26 -1.28 121.76 127.85 1swj s ALA 78 Ca -0.08 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1swj s ALA 78 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1swj s ALA 78 CO -0.01 -0.19 2.75 1.19 0.00 0.00 0.00 175.76 179.50 1swj n PHE 79 N 4.27 2.68 -3.94 0.00 3.72 -0.52 -4.77 117.46 118.90 1swj n PHE 79 Ca -0.13 -3.05 -0.19 0.00 -0.05 0.00 0.00 57.45 54.03 1swj n PHE 79 Cb 0.52 -2.45 -0.17 0.00 -0.94 0.00 0.00 39.48 36.44 1swj n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1swj s LYS 80 N 2.09 0.44 0.02 -1.08 2.20 -1.26 0.21 119.74 122.35 1swj s LYS 80 Ca 0.63 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1swj s LYS 80 Cb 0.17 -0.64 -0.00 0.00 -1.51 0.00 0.00 37.83 35.85 1swj s LYS 80 CO -0.07 -0.16 0.02 0.27 -0.36 0.00 0.00 175.35 175.05 1swj n ASN 81 N 4.36 -0.04 -0.14 1.43 0.23 -0.17 -4.78 115.26 116.14 1swj n ASN 81 Ca -0.22 -1.09 0.07 0.00 -0.53 0.00 0.00 54.58 52.81 1swj n ASN 81 Cb 0.50 0.09 0.34 0.00 -2.08 0.00 0.00 39.78 38.64 1swj n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swj n ASN 82 N -2.61 0.42 -0.00 0.53 4.13 -1.26 -3.05 115.26 113.41 1swj n ASN 82 Ca 0.00 -1.67 0.02 0.00 1.68 0.00 0.00 54.58 54.62 1swj n ASN 82 Cb 0.03 -0.04 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 1swj n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1swj n TYR 83 N -0.43 0.00 -3.74 3.10 4.01 -1.26 -5.08 117.16 113.77 1swj n TYR 83 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 1swj n TYR 83 Cb 0.11 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1swj n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swj s ARG 84 N -2.34 1.56 -0.19 -0.72 1.70 -1.17 -5.13 118.95 112.66 1swj s ARG 84 Ca -0.02 -0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 54.40 1swj s ARG 84 Cb 0.03 0.57 0.09 0.00 -0.57 0.00 0.00 34.95 35.07 1swj s ARG 84 CO 0.20 -0.71 0.25 1.21 -1.08 0.00 0.00 175.30 175.17 1swj s ASN 85 N -2.87 0.96 0.00 -2.89 3.84 -1.26 -1.00 114.94 111.72 1swj s ASN 85 Ca 0.09 0.05 0.22 0.00 0.21 0.00 0.00 52.86 53.43 1swj s ASN 85 Cb -0.04 0.55 0.68 0.00 -0.55 0.00 0.00 41.25 41.89 1swj s ASN 85 CO 0.01 -0.30 1.52 0.00 -2.79 0.00 0.00 177.10 175.54 1swj n ALA 86 N 5.33 2.50 -3.63 1.71 0.00 0.13 -4.96 120.51 121.59 1swj n ALA 86 Ca -0.05 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1swj n ALA 86 Cb 0.50 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.96 1swj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swj n HIS 87 N 0.61 -2.06 -3.73 0.00 8.25 -1.26 -4.91 115.22 112.13 1swj n HIS 87 Ca 0.17 0.88 -0.08 0.00 -0.26 0.00 0.00 57.72 58.43 1swj n HIS 87 Cb 0.41 -4.60 -0.02 0.00 1.12 0.00 0.00 29.99 26.90 1swj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swj s SER 88 N -4.25 -0.34 -0.05 0.41 1.04 -1.26 -2.05 113.70 107.19 1swj s SER 88 Ca 0.07 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1swj s SER 88 Cb -0.03 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1swj s SER 88 CO 0.79 -1.21 0.27 0.00 0.98 0.00 0.00 173.24 174.07 1swj s ALA 89 N -3.83 -0.68 -0.02 5.32 0.00 -0.12 -1.43 121.76 120.99 1swj s ALA 89 Ca 0.08 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1swj s ALA 89 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1swj s ALA 89 CO 0.01 -0.20 -0.21 0.99 0.00 0.00 0.00 175.76 176.34 1swj s THR 90 N -0.76 2.45 -0.06 0.00 2.01 -0.41 -0.38 115.64 118.49 1swj s THR 90 Ca -0.09 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 60.96 1swj s THR 90 Cb -0.04 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1swj s THR 90 CO 0.02 0.55 -0.22 0.42 -0.69 0.00 0.00 174.62 174.70 1swj s THR 91 N -0.69 1.86 -0.20 -0.82 -4.23 -0.52 -1.63 115.64 109.41 1swj s THR 91 Ca 0.11 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1swj s THR 91 Cb -0.10 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 1swj s THR 91 CO 0.00 0.52 -0.01 0.26 -0.54 0.00 0.00 174.62 174.85 1swj s TRP 92 N 0.05 3.01 -0.09 3.99 0.51 -0.39 -1.70 118.94 124.33 1swj s TRP 92 Ca -0.08 -0.53 0.04 0.00 -2.12 0.00 0.00 56.10 53.41 1swj s TRP 92 Cb -0.14 -2.07 -0.01 0.00 -0.81 0.00 0.00 33.47 30.44 1swj s TRP 92 CO 0.05 -0.28 -0.22 0.45 -0.51 0.00 0.00 176.95 176.43 1swj s SER 93 N 1.02 3.25 0.00 2.95 0.15 0.11 -1.61 113.70 119.58 1swj s SER 93 Ca 0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1swj s SER 93 Cb -0.14 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1swj s SER 93 CO 0.01 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1swj n GLY 94 N 3.32 -0.83 3.38 9.45 0.00 -0.97 -0.48 105.19 119.06 1swj n GLY 94 Ca -0.18 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1swj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swj s GLN 95 N -0.02 0.67 -0.06 1.61 -2.07 -0.16 -1.86 119.66 117.76 1swj s GLN 95 Ca 0.00 0.44 -0.24 0.00 -1.82 0.00 0.00 55.36 53.74 1swj s GLN 95 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 1swj s GLN 95 CO 0.00 -0.13 0.72 -0.47 -1.32 0.00 0.00 175.29 174.08 1swj s TYR 96 N -0.29 3.58 -0.21 9.60 5.04 -0.81 -1.10 117.35 133.17 1swj s TYR 96 Ca -0.05 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 55.85 1swj s TYR 96 Cb -0.03 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.47 1swj s TYR 96 CO 0.03 0.08 -0.13 0.08 -1.34 0.00 0.00 175.55 174.28 1swj s VAL 97 N 0.80 2.61 0.60 3.14 1.01 0.12 -1.67 120.40 127.02 1swj s VAL 97 Ca 0.38 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1swj s VAL 97 Cb -0.18 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1swj s VAL 97 CO 0.19 0.43 0.92 -0.83 0.00 0.00 0.00 175.10 175.81 1swj s GLY 98 N 1.35 1.61 0.00 4.51 0.00 -1.26 -1.71 107.32 111.82 1swj s GLY 98 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1swj s GLY 98 CO -0.08 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1swj n GLY 99 N -2.63 0.03 0.37 0.20 0.00 -1.26 -4.86 105.19 97.04 1swj n GLY 99 Ca 0.05 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.52 1swj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swj h ALA 100 N 0.00 1.63 -3.49 4.61 0.00 -2.07 -3.33 119.26 116.61 1swj h ALA 100 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1swj h ALA 100 Cb 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 17.79 17.20 1swj h ALA 100 CO 0.00 0.17 -0.78 -2.00 0.00 0.00 0.00 179.25 176.64 1swj s GLU 101 N -5.83 1.23 0.41 0.00 2.12 -1.26 -5.12 118.70 110.25 1swj s GLU 101 Ca -0.11 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.19 1swj s GLU 101 Cb 0.21 -2.40 -0.08 0.00 0.26 0.00 0.00 34.13 32.12 1swj s GLU 101 CO 0.80 -0.63 1.10 0.00 -0.54 0.00 0.00 175.26 175.99 1swj s ALA 102 N 1.57 3.07 0.06 6.30 0.00 -1.25 -4.90 121.76 126.61 1swj s ALA 102 Ca -0.03 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1swj s ALA 102 Cb -0.18 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 1swj s ALA 102 CO -0.07 -0.39 0.16 1.03 0.00 0.00 0.00 175.76 176.49 1swj s ARG 103 N -2.49 0.73 -0.18 0.00 0.52 -0.69 -4.45 118.95 112.39 1swj s ARG 103 Ca 0.59 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1swj s ARG 103 Cb -0.25 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.51 1swj s ARG 103 CO 0.32 -0.21 -0.14 0.42 0.02 0.00 0.00 175.30 175.70 1swj s ILE 104 N -3.24 2.62 -0.27 1.52 1.01 -0.87 -0.71 121.20 121.27 1swj s ILE 104 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1swj s ILE 104 Cb 0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1swj s ILE 104 CO -0.08 0.50 0.38 0.20 0.00 0.00 0.00 174.94 175.94 1swj s ASN 105 N 1.16 6.25 0.21 3.58 0.01 -0.26 -1.55 114.94 124.34 1swj s ASN 105 Ca 0.01 0.27 0.02 0.00 -0.71 0.00 0.00 52.86 52.45 1swj s ASN 105 Cb -0.14 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1swj s ASN 105 CO -0.06 -0.20 0.03 0.42 -1.51 0.00 0.00 177.10 175.79 1swj s THR 106 N 2.08 0.68 0.15 1.60 -4.23 -0.92 -0.99 115.64 114.01 1swj s THR 106 Ca 0.15 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 1swj s THR 106 Cb -0.16 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1swj s THR 106 CO 0.10 -0.30 -0.18 -1.10 -0.54 0.00 0.00 174.62 172.60 1swj s GLN 107 N -3.95 1.21 0.03 3.99 -0.21 0.37 -2.59 119.66 118.51 1swj s GLN 107 Ca 0.29 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.32 1swj s GLN 107 Cb 0.07 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1swj s GLN 107 CO 0.08 0.25 -0.04 1.67 -2.12 0.00 0.00 175.29 175.13 1swj s TRP 108 N -2.00 0.43 -0.16 0.91 1.48 0.77 -0.71 118.94 119.66 1swj s TRP 108 Ca 0.14 -0.64 0.02 0.00 -1.06 0.00 0.00 56.10 54.56 1swj s TRP 108 Cb -0.06 -0.29 0.01 0.00 -1.16 0.00 0.00 33.47 31.98 1swj s TRP 108 CO 0.06 -0.20 -0.21 -0.51 -4.06 0.00 0.00 176.95 172.03 1swj s LEU 109 N -1.82 2.14 -0.18 -4.66 1.43 -0.69 -1.68 118.68 113.22 1swj s LEU 109 Ca -0.09 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1swj s LEU 109 Cb -0.06 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1swj s LEU 109 CO -0.02 0.05 -0.04 -0.22 0.23 0.00 0.00 176.35 176.34 1swj s LEU 110 N 1.02 3.08 -0.10 1.79 2.96 -0.46 -1.44 118.68 125.54 1swj s LEU 110 Ca -0.02 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1swj s LEU 110 Cb -0.14 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1swj s LEU 110 CO -0.07 0.10 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.97 1swj s THR 111 N 0.78 2.40 -0.10 3.68 2.01 0.49 -1.60 115.64 123.31 1swj s THR 111 Ca -0.02 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1swj s THR 111 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1swj s THR 111 CO 0.02 0.55 0.12 -0.44 -0.69 0.00 0.00 174.62 174.18 1swj s SER 112 N 0.17 6.17 0.10 3.53 0.01 -0.59 -0.95 113.70 122.14 1swj s SER 112 Ca -0.12 0.39 -0.31 0.00 1.31 0.00 0.00 55.95 57.22 1swj s SER 112 Cb -0.16 -1.95 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 1swj s SER 112 CO 0.06 0.38 1.58 -0.83 0.41 0.00 0.00 173.24 174.85 1swj s GLY 113 N -1.15 1.62 0.30 3.44 0.00 -0.87 -4.81 107.32 105.85 1swj s GLY 113 Ca 0.17 1.22 0.03 0.00 0.00 0.00 0.00 44.72 46.13 1swj s GLY 113 CO 0.06 2.73 0.11 -0.51 0.00 0.00 0.00 173.10 175.50 1swj s THR 114 N 2.04 0.61 0.69 0.90 -4.23 -1.26 -5.05 115.64 109.33 1swj s THR 114 Ca 0.71 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 1swj s THR 114 Cb -0.40 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 70.86 1swj s THR 114 CO 0.31 0.00 1.07 0.42 -0.54 0.00 0.00 174.62 175.88 1swj s THR 115 N -3.56 3.78 0.40 3.99 -4.23 -1.26 -4.91 115.64 109.84 1swj s THR 115 Ca 0.35 0.64 0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1swj s THR 115 Cb 0.06 -3.27 0.19 0.00 1.34 0.00 0.00 72.50 70.83 1swj s THR 115 CO 0.15 -0.70 1.96 -0.33 -0.54 0.00 0.00 174.62 175.16 1swj h GLU 116 N -0.56 0.33 -0.12 3.99 5.08 -2.00 -1.11 114.58 120.18 1swj h GLU 116 Ca -0.44 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1swj h GLU 116 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1swj h GLU 116 CO 0.55 0.37 0.07 0.00 -1.00 0.00 0.00 179.01 179.00 1swj h ALA 117 N 1.67 1.89 -0.42 3.43 0.00 -2.06 -2.28 119.26 121.50 1swj h ALA 117 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1swj h ALA 117 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1swj h ALA 117 CO 0.01 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1swj n ASN 118 N -4.51 2.89 -0.02 0.00 3.02 -0.45 -4.62 115.26 111.57 1swj n ASN 118 Ca -0.01 -1.93 -0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1swj n ASN 118 Cb 0.09 -0.27 0.29 0.00 -0.61 0.00 0.00 39.78 39.28 1swj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swj h ALA 119 N 4.22 1.38 -0.24 5.41 0.00 -1.11 -2.64 119.26 126.28 1swj h ALA 119 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1swj h ALA 119 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1swj h ALA 119 CO 0.00 0.44 0.36 0.11 0.00 0.00 0.00 179.25 180.16 1swj h TRP 120 N 0.56 0.00 -0.69 0.00 5.08 -1.83 -1.32 115.95 117.76 1swj h TRP 120 Ca 0.12 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.60 1swj h TRP 120 Cb 0.28 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 26.09 1swj h TRP 120 CO 0.01 0.00 -0.52 0.36 -1.28 0.00 0.00 178.44 177.02 1swj n LYS 121 N -3.48 3.18 0.06 0.12 2.85 -1.00 -4.68 118.16 115.22 1swj n LYS 121 Ca 0.03 -3.91 0.12 0.00 -1.05 0.00 0.00 58.31 53.50 1swj n LYS 121 Cb 0.48 -2.19 0.05 0.00 -0.65 0.00 0.00 35.03 32.72 1swj n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swj n SER 122 N -0.81 0.68 -4.02 -5.58 3.41 -0.50 -4.92 113.62 101.88 1swj n SER 122 Ca 0.43 0.07 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 1swj n SER 122 Cb 0.91 0.58 -0.17 0.00 -0.26 0.00 0.00 64.21 65.27 1swj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swj s THR 123 N -3.26 1.32 -0.03 6.66 2.01 -1.26 -1.54 115.64 119.55 1swj s THR 123 Ca 0.02 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1swj s THR 123 Cb 0.12 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1swj s THR 123 CO 0.78 0.41 0.21 -0.76 -0.69 0.00 0.00 174.62 174.56 1swj s LEU 124 N 1.04 4.38 0.10 4.42 1.43 -0.63 -4.95 118.68 124.47 1swj s LEU 124 Ca -0.06 0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 1swj s LEU 124 Cb -0.15 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1swj s LEU 124 CO -0.02 0.29 -0.22 0.54 0.23 0.00 0.00 176.35 177.17 1swj s VAL 125 N -1.26 1.81 0.04 -1.59 0.11 -1.26 -1.35 120.40 116.91 1swj s VAL 125 Ca 0.25 -1.54 -0.04 0.00 -2.93 0.00 0.00 61.98 57.72 1swj s VAL 125 Cb -0.13 -1.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 1swj s VAL 125 CO 0.15 0.01 0.19 0.61 -3.33 0.00 0.00 175.10 172.72 1swj n GLY 126 N 1.15 1.30 3.00 6.54 0.00 -0.68 -4.98 105.19 111.52 1swj n GLY 126 Ca -0.19 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1swj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swj s HIS 127 N -5.76 0.30 0.00 1.61 -3.43 -1.26 -0.16 115.29 106.59 1swj s HIS 127 Ca 0.04 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 1swj s HIS 127 Cb -0.01 -0.22 -0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1swj s HIS 127 CO 0.01 -0.22 -0.01 -0.51 -2.00 0.00 0.00 174.74 172.01 1swj s ASP 128 N -1.69 0.15 -0.08 7.38 1.01 -1.07 -4.94 116.67 117.44 1swj s ASP 128 Ca -0.12 -0.06 0.05 0.00 0.71 0.00 0.00 52.55 53.12 1swj s ASP 128 Cb -0.07 -0.01 -0.01 0.00 1.01 0.00 0.00 42.92 43.85 1swj s ASP 128 CO -0.02 -0.01 -0.23 -0.89 0.21 0.00 0.00 175.17 174.22 1swj s THR 129 N -0.14 2.16 0.10 -1.27 2.01 -1.26 -2.16 115.64 115.09 1swj s THR 129 Ca -0.01 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1swj s THR 129 Cb -0.01 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1swj s THR 129 CO -0.00 0.56 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.99 1swj s PHE 130 N 0.07 2.64 0.05 4.92 0.40 -0.60 -3.62 117.98 121.84 1swj s PHE 130 Ca -0.10 -0.21 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1swj s PHE 130 Cb -0.16 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 1swj s PHE 130 CO 0.06 0.39 0.13 0.99 0.70 0.00 0.00 175.22 177.49 1swj s THR 131 N -1.15 0.13 -2.56 0.64 2.01 -0.67 -2.04 115.64 112.00 1swj s THR 131 Ca 0.19 -1.08 0.28 0.00 0.31 0.00 0.00 61.69 61.38 1swj s THR 131 Cb -0.11 -0.99 0.51 0.00 0.01 0.00 0.00 72.50 71.92 1swj s THR 131 CO 0.11 -0.60 1.69 0.29 -0.69 0.00 0.00 174.62 175.42