#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 1.31 -2.73 -0.61 2.04 -1.99 -3.44 117.51 112.09 1swj h ILE 17 Ca 0.00 -2.31 -0.53 0.00 1.00 0.00 0.00 64.86 63.02 1swj h ILE 17 Cb 0.00 2.39 0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1swj h ILE 17 CO 0.00 0.71 0.97 -0.89 0.00 0.00 0.00 178.15 178.93 1swj s THR 18 N -3.30 3.14 -3.94 -0.27 2.01 -1.26 -4.79 115.64 107.24 1swj s THR 18 Ca -0.09 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1swj s THR 18 Cb 0.07 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1swj s THR 18 CO 0.91 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 1swj n GLY 19 N 3.93 -0.91 3.41 4.40 0.00 0.12 -4.97 105.19 111.17 1swj n GLY 19 Ca 0.15 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.00 3.94 0.12 2.61 2.01 -1.26 -1.57 115.64 118.49 1swj s THR 20 Ca 0.00 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.78 1swj s THR 20 Cb 0.00 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1swj s THR 20 CO 0.00 0.39 -0.15 0.26 -0.69 0.00 0.00 174.62 174.43 1swj s TRP 21 N 1.34 2.60 0.01 4.92 0.52 -0.68 -4.46 118.94 123.19 1swj s TRP 21 Ca 0.04 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1swj s TRP 21 Cb -0.15 -1.36 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1swj s TRP 21 CO 0.01 0.41 -0.17 0.71 0.02 0.00 0.00 176.95 177.93 1swj s TYR 22 N -1.21 1.51 0.51 -1.98 2.02 -0.46 -0.94 117.35 116.79 1swj s TYR 22 Ca 0.19 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 1swj s TYR 22 Cb -0.11 -0.94 0.10 0.00 -0.40 0.00 0.00 41.96 40.61 1swj s TYR 22 CO 0.11 0.01 0.70 0.27 -1.57 0.00 0.00 175.55 175.08 1swj n ASN 23 N 2.35 1.22 0.14 2.29 6.94 -0.92 -2.24 115.26 125.05 1swj n ASN 23 Ca -0.16 -1.97 0.13 0.00 -0.02 0.00 0.00 54.58 52.56 1swj n ASN 23 Cb 0.54 -0.43 0.50 0.00 -2.36 0.00 0.00 39.78 38.03 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 -0.52 -3.83 -0.00 -1.93 -2.87 115.11 105.95 1swj h GLN 24 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1swj h GLN 24 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 1swj h GLN 24 CO 0.28 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.39 1swj n LEU 25 N -2.33 5.26 0.00 0.06 4.77 -1.26 -5.01 117.00 118.49 1swj n LEU 25 Ca 0.02 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 1swj n LEU 25 Cb 0.26 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1swj n LEU 25 CO 0.21 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1swj n GLY 26 N 0.47 2.12 0.00 -0.72 0.00 -1.09 -5.04 105.19 100.94 1swj n GLY 26 Ca 0.26 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1swj n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swj n SER 27 N 2.74 0.00 -4.61 1.61 7.64 -1.26 -3.86 113.62 115.88 1swj n SER 27 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1swj n SER 27 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1swj n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swj s THR 28 N 0.00 5.03 -0.13 0.44 2.01 -1.07 -2.15 115.64 119.76 1swj s THR 28 Ca 0.00 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1swj s THR 28 Cb 0.00 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1swj s THR 28 CO 0.00 0.36 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.78 1swj s PHE 29 N 1.04 2.76 -0.30 4.92 0.40 -0.12 -0.67 117.98 126.01 1swj s PHE 29 Ca 0.06 -0.84 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 1swj s PHE 29 Cb -0.14 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1swj s PHE 29 CO 0.04 -0.33 0.06 0.42 0.70 0.00 0.00 175.22 176.11 1swj s ILE 30 N 0.51 3.67 -0.02 0.64 1.09 0.10 -1.68 121.20 125.50 1swj s ILE 30 Ca -0.10 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.58 1swj s ILE 30 Cb -0.16 -2.97 -0.02 0.00 -1.06 0.00 0.00 42.46 38.26 1swj s ILE 30 CO 0.04 -0.00 -0.23 0.54 -0.10 0.00 0.00 174.94 175.20 1swj s VAL 31 N 1.42 1.80 -0.19 2.92 0.11 -0.61 -0.99 120.40 124.88 1swj s VAL 31 Ca 0.00 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1swj s VAL 31 Cb -0.18 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 1swj s VAL 31 CO 0.01 0.51 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.29 1swj s THR 32 N -0.44 2.84 -0.05 5.04 2.01 -0.25 -0.70 115.64 124.09 1swj s THR 32 Ca 0.06 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 1swj s THR 32 Cb -0.10 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1swj s THR 32 CO -0.00 0.48 0.52 0.00 -0.69 0.00 0.00 174.62 174.93 1swj s ALA 33 N 1.15 3.52 0.03 7.40 0.00 -1.26 -2.83 121.76 129.76 1swj s ALA 33 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1swj s ALA 33 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1swj s ALA 33 CO -0.04 0.15 0.13 0.20 0.00 0.00 0.00 175.76 176.20 1swj s GLY 34 N 0.01 2.09 0.59 0.00 0.00 -0.27 -4.92 107.32 104.82 1swj s GLY 34 Ca 0.28 -0.88 0.39 0.00 0.00 0.00 0.00 44.72 44.51 1swj s GLY 34 CO 0.14 -0.80 2.17 0.00 0.00 0.00 0.00 173.10 174.60 1swj h ALA 35 N 3.63 1.00 -0.80 3.20 0.00 -1.98 -2.06 119.26 122.26 1swj h ALA 35 Ca -0.48 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 1swj h ALA 35 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1swj h ALA 35 CO 0.67 0.00 0.38 -0.25 0.00 0.00 0.00 179.25 180.05 1swj n ASP 36 N -2.99 4.51 0.00 0.00 8.00 -1.26 -4.90 116.55 119.91 1swj n ASP 36 Ca -0.01 -3.29 0.00 0.00 0.71 0.00 0.00 54.79 52.19 1swj n ASP 36 Cb 0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1swj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1swj n GLY 37 N -0.40 0.84 3.88 0.44 0.00 -0.77 -5.01 105.19 104.17 1swj n GLY 37 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.29 3.41 -0.08 4.61 0.00 -1.24 -0.67 121.76 124.49 1swj s ALA 38 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1swj s ALA 38 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1swj s ALA 38 CO 0.00 0.02 -0.10 -1.17 0.00 0.00 0.00 175.76 174.52 1swj s LEU 39 N -3.83 1.43 0.04 0.00 2.96 0.11 -1.11 118.68 118.28 1swj s LEU 39 Ca 0.50 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1swj s LEU 39 Cb -0.10 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1swj s LEU 39 CO 0.32 -0.04 -0.04 0.42 -1.32 0.00 0.00 176.35 175.69 1swj s THR 40 N 1.11 0.28 -3.02 3.68 -4.23 -1.13 -0.97 115.64 111.36 1swj s THR 40 Ca -0.06 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1swj s THR 40 Cb -0.14 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1swj s THR 40 CO -0.01 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1swj n GLY 41 N 1.19 -0.54 2.93 3.99 0.00 -1.01 -1.09 105.19 110.66 1swj n GLY 41 Ca -0.21 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1swj n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swj s THR 42 N -3.19 0.12 -0.21 2.61 -4.23 -0.16 -1.92 115.64 108.66 1swj s THR 42 Ca 0.00 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 1swj s THR 42 Cb 0.00 -0.17 -0.05 0.00 1.34 0.00 0.00 72.50 73.63 1swj s THR 42 CO 0.00 -0.17 0.21 -0.47 -0.54 0.00 0.00 174.62 173.65 1swj s TYR 43 N -0.57 3.37 0.33 3.99 6.14 0.07 0.01 117.35 130.69 1swj s TYR 43 Ca -0.05 0.37 0.09 0.00 0.64 0.00 0.00 57.07 58.12 1swj s TYR 43 Cb -0.04 -2.29 -0.05 0.00 0.42 0.00 0.00 41.96 39.99 1swj s TYR 43 CO -0.00 0.14 0.01 -1.21 0.64 0.00 0.00 175.55 175.12 1swj s GLU 44 N 0.83 2.11 0.31 4.97 2.02 0.15 -1.00 118.70 128.09 1swj s GLU 44 Ca 0.11 -1.69 0.23 0.00 0.02 0.00 0.00 54.97 53.64 1swj s GLU 44 Cb -0.13 -1.97 0.15 0.00 0.10 0.00 0.00 34.13 32.28 1swj s GLU 44 CO 0.03 0.17 1.31 0.00 0.02 0.00 0.00 175.26 176.79 1swj h ALA 50 N 1.82 0.73 -0.01 5.21 0.00 -2.08 -2.83 119.26 122.10 1swj h ALA 50 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1swj h ALA 50 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1swj h ALA 50 CO 0.65 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 179.07 1swj n GLU 51 N -2.88 1.38 -0.50 0.00 0.28 -1.26 -3.49 120.64 114.17 1swj n GLU 51 Ca 0.02 -0.55 0.07 0.00 -0.16 0.00 0.00 57.16 56.53 1swj n GLU 51 Cb 0.55 -1.48 0.19 0.00 1.43 0.00 0.00 31.44 32.13 1swj n GLU 51 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1swj n SER 52 N -0.32 1.83 -4.60 -1.84 7.64 -1.26 -4.70 113.62 110.36 1swj n SER 52 Ca 0.21 -3.69 -0.34 0.00 1.01 0.00 0.00 58.87 56.05 1swj n SER 52 Cb 0.25 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 1swj n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1swj s ARG 53 N -3.10 3.30 0.04 1.43 3.52 -1.23 -4.37 118.95 118.55 1swj s ARG 53 Ca 0.36 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 1swj s ARG 53 Cb 0.35 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1swj s ARG 53 CO -0.05 0.49 -0.08 0.71 -0.81 0.00 0.00 175.30 175.56 1swj s TYR 54 N -0.30 0.66 0.20 5.12 1.51 -0.17 -4.81 117.35 119.55 1swj s TYR 54 Ca 0.06 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1swj s TYR 54 Cb -0.12 -0.40 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 1swj s TYR 54 CO 0.02 -0.08 1.17 0.08 -1.11 0.00 0.00 175.55 175.63 1swj s VAL 55 N -1.27 3.59 -0.02 0.71 1.01 -1.26 -0.75 120.40 122.40 1swj s VAL 55 Ca -0.09 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.35 1swj s VAL 55 Cb -0.09 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1swj s VAL 55 CO 0.00 0.24 -0.25 -1.48 0.00 0.00 0.00 175.10 173.61 1swj s LEU 56 N -0.48 2.05 -0.02 3.92 0.05 -0.81 -4.27 118.68 119.12 1swj s LEU 56 Ca 0.51 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 54.22 1swj s LEU 56 Cb -0.32 -1.31 0.02 0.00 -2.05 0.00 0.00 46.19 42.52 1swj s LEU 56 CO 0.37 0.31 0.04 0.28 -0.55 0.00 0.00 176.35 176.80 1swj s THR 57 N -0.56 -0.03 0.25 5.48 -1.32 -0.97 -2.40 115.64 116.10 1swj s THR 57 Ca 0.09 0.10 -0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1swj s THR 57 Cb -0.10 -0.08 0.04 0.00 -1.51 0.00 0.00 72.50 70.85 1swj s THR 57 CO -0.01 0.04 0.50 0.61 -2.21 0.00 0.00 174.62 173.56 1swj n GLY 58 N 3.57 1.38 3.13 6.08 0.00 -0.14 -0.86 105.19 118.36 1swj n GLY 58 Ca -0.19 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.08 0.73 0.19 1.61 1.81 0.01 -0.71 118.95 120.51 1swj s ARG 59 Ca 0.11 -1.15 -0.10 0.00 -1.72 0.00 0.00 55.73 52.87 1swj s ARG 59 Cb -0.03 -0.23 -0.01 0.00 -0.45 0.00 0.00 34.95 34.23 1swj s ARG 59 CO 0.08 0.00 0.33 1.52 -0.68 0.00 0.00 175.30 176.55 1swj s TYR 60 N -2.89 0.40 -0.63 -0.53 1.13 0.16 -1.84 117.35 113.15 1swj s TYR 60 Ca 0.05 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.68 1swj s TYR 60 Cb 0.00 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.88 1swj s TYR 60 CO -0.03 -0.78 1.28 0.34 -2.51 0.00 0.00 175.55 173.85 1swj s ASP 61 N -2.98 6.26 0.00 -0.18 2.15 -0.90 -4.54 116.67 116.48 1swj s ASP 61 Ca 0.19 -0.04 0.19 0.00 0.43 0.00 0.00 52.55 53.32 1swj s ASP 61 Cb 0.02 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 41.06 1swj s ASP 61 CO 0.02 -1.67 1.65 -1.54 -0.17 0.00 0.00 175.17 173.46 1swj n SER 62 N 9.07 0.58 -3.21 -0.34 3.41 -1.26 -3.95 113.62 117.93 1swj n SER 62 Ca 0.08 -1.53 -0.23 0.00 -0.26 0.00 0.00 58.87 56.93 1swj n SER 62 Cb 0.49 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.40 2.64 -1.48 7.33 0.00 -1.26 -5.02 120.51 122.32 1swj n ALA 63 Ca 0.15 -3.63 -0.32 0.00 0.00 0.00 0.00 53.44 49.63 1swj n ALA 63 Cb 0.16 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1swj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swj s PRO 64 N -1.73 2.77 0.60 0.00 0.04 -1.25 -5.02 135.00 130.41 1swj s PRO 64 Ca 0.37 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1swj s PRO 64 Cb 0.21 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1swj s PRO 64 CO -0.09 -1.25 1.27 0.00 0.04 0.00 0.00 177.00 176.97 1swj s ALA 65 N -2.65 2.55 -0.34 8.56 0.00 -1.26 -4.94 121.76 123.68 1swj s ALA 65 Ca 0.63 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.84 1swj s ALA 65 Cb -0.17 -3.52 0.67 0.00 0.00 0.00 0.00 23.12 20.10 1swj s ALA 65 CO 0.47 -1.37 1.74 0.25 0.00 0.00 0.00 175.76 176.85 1swj n THR 66 N -1.56 2.88 0.17 0.00 -2.24 -1.26 -4.39 114.28 107.88 1swj n THR 66 Ca 0.14 -1.92 0.05 0.00 -2.27 0.00 0.00 64.05 60.04 1swj n THR 66 Cb 0.48 -0.37 0.21 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.60 3.20 0.00 3.42 5.68 -1.26 -4.80 116.55 122.20 1swj n ASP 67 Ca 0.43 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1swj n ASP 67 Cb 1.36 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 1swj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swj n GLY 68 N 0.56 0.66 3.79 6.12 0.00 -1.26 -5.08 105.19 109.97 1swj n GLY 68 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1swj n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1swj s SER 69 N -2.60 6.99 0.60 1.61 0.15 -1.26 -5.06 113.70 114.13 1swj s SER 69 Ca 0.00 1.89 -0.12 0.00 0.70 0.00 0.00 55.95 58.41 1swj s SER 69 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1swj s SER 69 CO 0.00 -0.32 1.02 -0.83 1.20 0.00 0.00 173.24 174.31 1swj s GLY 70 N -1.73 1.77 -0.34 9.45 0.00 -1.26 -4.80 107.32 110.41 1swj s GLY 70 Ca 0.56 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.09 1swj s GLY 70 CO 0.23 0.28 0.60 -1.59 0.00 0.00 0.00 173.10 172.62 1swj s THR 71 N -3.01 4.94 0.27 0.90 2.01 0.62 -4.86 115.64 116.51 1swj s THR 71 Ca 0.56 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1swj s THR 71 Cb -0.11 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 1swj s THR 71 CO 0.48 -0.23 1.47 0.00 -0.69 0.00 0.00 174.62 175.64 1swj s ALA 72 N 2.59 3.64 0.15 7.40 0.00 -1.26 -0.42 121.76 133.86 1swj s ALA 72 Ca 0.23 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1swj s ALA 72 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.41 1swj s ALA 72 CO 0.14 -0.80 0.34 -0.48 0.00 0.00 0.00 175.76 174.96 1swj s LEU 73 N -0.54 0.74 -0.13 0.00 0.05 0.74 -2.11 118.68 117.43 1swj s LEU 73 Ca 0.59 -0.65 -0.26 0.00 0.05 0.00 0.00 54.13 53.86 1swj s LEU 73 Cb -0.43 1.49 0.06 0.00 -2.05 0.00 0.00 46.19 45.26 1swj s LEU 73 CO 0.45 -0.90 0.63 -0.83 -0.55 0.00 0.00 176.35 175.16 1swj s GLY 74 N -2.90 -0.50 0.19 -3.48 0.00 -0.77 -1.36 107.32 98.51 1swj s GLY 74 Ca 0.11 1.43 -0.08 0.00 0.00 0.00 0.00 44.72 46.18 1swj s GLY 74 CO -0.05 1.13 0.28 0.66 0.00 0.00 0.00 173.10 175.13 1swj s TRP 75 N -0.56 0.56 0.03 1.90 -2.14 -0.53 -0.81 118.94 117.40 1swj s TRP 75 Ca -0.07 -0.90 0.04 0.00 2.66 0.00 0.00 56.10 57.84 1swj s TRP 75 Cb -0.02 -0.12 -0.02 0.00 -3.10 0.00 0.00 33.47 30.20 1swj s TRP 75 CO 0.06 -0.75 -0.13 0.99 -2.66 0.00 0.00 176.95 174.46 1swj s THR 76 N -4.02 0.99 -0.08 0.66 2.01 -0.04 -0.68 115.64 114.48 1swj s THR 76 Ca 0.23 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 1swj s THR 76 Cb 0.03 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1swj s THR 76 CO 0.04 -0.02 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.23 1swj s VAL 77 N -0.82 0.69 -0.22 3.82 1.01 -0.12 -2.28 120.40 122.46 1swj s VAL 77 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1swj s VAL 77 Cb -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1swj s VAL 77 CO 0.01 0.30 0.19 0.00 0.00 0.00 0.00 175.10 175.59 1swj s ALA 78 N 1.63 3.62 -1.26 5.51 0.00 -1.26 -1.20 121.76 128.80 1swj s ALA 78 Ca 0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 1swj s ALA 78 Cb -0.13 -2.33 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 1swj s ALA 78 CO -0.05 -0.12 2.92 1.19 0.00 0.00 0.00 175.76 179.70 1swj n PHE 79 N 4.13 2.07 -4.69 0.00 3.72 -0.52 -4.75 117.46 117.41 1swj n PHE 79 Ca -0.14 -2.74 -0.23 0.00 -0.05 0.00 0.00 57.45 54.28 1swj n PHE 79 Cb 0.52 -2.16 -0.15 0.00 -0.94 0.00 0.00 39.48 36.75 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 1.02 1.31 0.00 -1.08 2.20 -1.26 -1.65 119.74 120.28 1swj s LYS 80 Ca 0.65 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1swj s LYS 80 Cb 0.21 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1swj s LYS 80 CO -0.07 0.28 0.00 0.27 -0.36 0.00 0.00 175.35 175.47 1swj n ASN 81 N 2.89 0.00 0.10 1.43 0.23 -0.41 -4.81 115.26 114.69 1swj n ASN 81 Ca -0.16 -0.19 0.12 0.00 -0.53 0.00 0.00 54.58 53.82 1swj n ASN 81 Cb 0.54 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.70 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 -0.57 0.60 -0.12 0.53 4.13 -1.26 -3.89 115.26 114.68 1swj n ASN 82 Ca 0.00 0.62 -0.23 0.00 1.68 0.00 0.00 54.58 56.65 1swj n ASN 82 Cb 0.00 -0.76 -0.10 0.00 -1.54 0.00 0.00 39.78 37.39 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 -2.13 0.00 -4.32 3.10 4.02 -1.26 -5.08 117.16 111.49 1swj n TYR 83 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.74 1swj n TYR 83 Cb 0.28 -0.89 -0.10 0.00 -0.02 0.00 0.00 39.34 38.61 1swj n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1swj s ARG 84 N -2.46 1.24 -0.13 -0.72 0.52 -1.25 -5.16 118.95 110.98 1swj s ARG 84 Ca -0.33 -1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 53.35 1swj s ARG 84 Cb 0.11 -1.06 0.07 0.00 0.52 0.00 0.00 34.95 34.59 1swj s ARG 84 CO 0.47 0.19 0.24 1.21 0.02 0.00 0.00 175.30 177.43 1swj s ASN 85 N -3.05 0.55 0.00 0.23 3.84 -1.26 -1.29 114.94 113.96 1swj s ASN 85 Ca 0.18 0.44 0.24 0.00 0.21 0.00 0.00 52.86 53.93 1swj s ASN 85 Cb -0.02 0.59 0.29 0.00 -0.55 0.00 0.00 41.25 41.56 1swj s ASN 85 CO 0.05 -0.25 1.32 0.00 -2.79 0.00 0.00 177.10 175.43 1swj n ALA 86 N 5.34 2.46 -3.65 1.71 0.00 -0.66 -4.97 120.51 120.74 1swj n ALA 86 Ca -0.06 -0.75 -0.22 0.00 0.00 0.00 0.00 53.44 52.41 1swj n ALA 86 Cb 0.50 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 1.33 -2.17 -3.57 0.00 8.25 -1.26 -4.89 115.22 112.92 1swj n HIS 87 Ca 0.16 0.90 -0.15 0.00 -0.26 0.00 0.00 57.72 58.36 1swj n HIS 87 Cb 0.59 -4.59 -0.06 0.00 1.12 0.00 0.00 29.99 27.06 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 -4.07 -0.49 0.05 0.41 1.04 -1.26 -2.03 113.70 107.34 1swj s SER 88 Ca 0.18 0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.96 1swj s SER 88 Cb -0.09 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1swj s SER 88 CO 0.78 -0.67 -0.06 0.00 0.98 0.00 0.00 173.24 174.27 1swj s ALA 89 N -1.99 0.56 -0.03 5.32 0.00 0.50 -1.44 121.76 124.67 1swj s ALA 89 Ca -0.08 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1swj s ALA 89 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1swj s ALA 89 CO 0.02 -0.10 -0.20 0.99 0.00 0.00 0.00 175.76 176.47 1swj s THR 90 N -1.93 1.60 -0.07 0.00 2.01 -0.34 -0.23 115.64 116.68 1swj s THR 90 Ca -0.06 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.12 1swj s THR 90 Cb -0.06 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1swj s THR 90 CO -0.01 0.45 -0.10 0.42 -0.69 0.00 0.00 174.62 174.69 1swj s THR 91 N -0.21 3.40 -0.07 -0.82 -4.23 -0.22 -0.94 115.64 112.54 1swj s THR 91 Ca 0.01 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1swj s THR 91 Cb -0.10 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1swj s THR 91 CO 0.01 0.58 -0.19 0.26 -0.54 0.00 0.00 174.62 174.75 1swj s TRP 92 N -0.63 2.61 -0.07 3.99 0.51 0.15 -1.85 118.94 123.64 1swj s TRP 92 Ca 0.09 -0.54 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 1swj s TRP 92 Cb -0.11 -1.67 0.02 0.00 -0.81 0.00 0.00 33.47 30.90 1swj s TRP 92 CO 0.01 -0.10 -0.06 0.45 -0.51 0.00 0.00 176.95 176.75 1swj s SER 93 N -0.19 1.52 0.00 2.95 0.15 -0.45 -1.45 113.70 116.23 1swj s SER 93 Ca -0.01 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1swj s SER 93 Cb -0.13 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1swj s SER 93 CO 0.03 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1swj n GLY 94 N 4.43 1.04 3.14 9.45 0.00 -0.46 -0.83 105.19 121.95 1swj n GLY 94 Ca -0.18 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1swj n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1swj s GLN 95 N 1.79 0.47 -0.07 1.61 -0.21 -0.98 -0.19 119.66 122.08 1swj s GLN 95 Ca 0.00 -0.17 -0.25 0.00 0.02 0.00 0.00 55.36 54.96 1swj s GLN 95 Cb 0.00 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 1swj s GLN 95 CO 0.00 -0.11 0.78 -0.47 -2.12 0.00 0.00 175.29 173.37 1swj s TYR 96 N -0.98 3.57 -0.53 0.91 5.04 0.44 -2.48 117.35 123.32 1swj s TYR 96 Ca -0.11 1.34 -0.03 0.00 -2.44 0.00 0.00 57.07 55.83 1swj s TYR 96 Cb -0.05 -2.91 0.14 0.00 0.35 0.00 0.00 41.96 39.49 1swj s TYR 96 CO 0.02 0.01 0.34 0.08 -1.34 0.00 0.00 175.55 174.66 1swj s VAL 97 N 1.07 3.60 0.08 3.14 1.01 0.22 -0.28 120.40 129.25 1swj s VAL 97 Ca 0.41 -2.50 -0.01 0.00 0.00 0.00 0.00 61.98 59.88 1swj s VAL 97 Cb -0.18 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1swj s VAL 97 CO 0.19 -0.80 0.08 0.61 0.00 0.00 0.00 175.10 175.19 1swj n GLY 98 N 4.05 -2.18 0.00 4.51 0.00 -1.26 -0.54 105.19 109.77 1swj n GLY 98 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1swj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swj n GLY 99 N 2.49 0.21 0.22 -0.02 0.00 -1.26 -4.63 105.19 102.19 1swj n GLY 99 Ca 0.01 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 0.66 -2.53 4.61 0.00 -2.06 -3.31 119.26 116.63 1swj h ALA 100 Ca 0.00 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 1swj h ALA 100 Cb 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 17.79 17.18 1swj h ALA 100 CO 0.00 0.15 -0.75 -1.91 0.00 0.00 0.00 179.25 176.74 1swj n GLU 101 N -4.67 1.47 -1.36 0.00 4.07 -1.26 -5.09 120.64 113.79 1swj n GLU 101 Ca 0.02 -4.05 -0.51 0.00 -0.06 0.00 0.00 57.16 52.57 1swj n GLU 101 Cb 0.06 -1.98 -0.06 0.00 -0.06 0.00 0.00 31.44 29.41 1swj n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swj n ALA 102 N 1.78 -3.19 -3.18 4.31 0.00 -1.25 -4.95 120.51 114.04 1swj n ALA 102 Ca 0.25 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 1swj n ALA 102 Cb 0.42 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 1swj n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swj s ARG 103 N -0.34 0.93 -0.19 0.00 1.04 0.30 -4.45 118.95 116.23 1swj s ARG 103 Ca 0.75 -0.34 0.01 0.00 -1.04 0.00 0.00 55.73 55.12 1swj s ARG 103 Cb -1.07 0.42 0.03 0.00 -2.04 0.00 0.00 34.95 32.29 1swj s ARG 103 CO 0.53 -0.32 -0.18 0.42 -0.04 0.00 0.00 175.30 175.70 1swj s ILE 104 N -2.43 2.09 -0.20 4.99 1.01 -0.89 0.70 121.20 126.48 1swj s ILE 104 Ca -0.06 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 1swj s ILE 104 Cb -0.01 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1swj s ILE 104 CO -0.02 0.44 0.27 0.20 0.00 0.00 0.00 174.94 175.84 1swj s ASN 105 N 1.26 6.34 0.11 3.58 0.01 -1.04 -0.29 114.94 124.90 1swj s ASN 105 Ca 0.03 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1swj s ASN 105 Cb -0.14 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1swj s ASN 105 CO -0.12 0.05 -0.02 0.42 -1.51 0.00 0.00 177.10 175.92 1swj s THR 106 N 0.85 0.44 0.01 1.60 -4.23 0.15 -2.32 115.64 112.14 1swj s THR 106 Ca 0.14 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.81 1swj s THR 106 Cb -0.13 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1swj s THR 106 CO 0.05 -0.75 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.11 1swj s GLN 107 N -3.92 2.23 0.14 3.99 -1.52 -0.01 -1.00 119.66 119.58 1swj s GLN 107 Ca 0.15 -0.88 0.05 0.00 -1.95 0.00 0.00 55.36 52.73 1swj s GLN 107 Cb 0.07 -2.25 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 1swj s GLN 107 CO -0.03 0.57 -0.11 1.67 -0.25 0.00 0.00 175.29 177.14 1swj s TRP 108 N -0.85 1.25 -0.11 0.91 1.48 0.21 -1.34 118.94 120.49 1swj s TRP 108 Ca 0.14 -0.72 -0.00 0.00 -1.06 0.00 0.00 56.10 54.45 1swj s TRP 108 Cb -0.11 -0.64 0.02 0.00 -1.16 0.00 0.00 33.47 31.59 1swj s TRP 108 CO 0.04 0.08 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.42 1swj s LEU 109 N -2.97 1.18 -0.22 -4.66 1.43 -0.77 -2.22 118.68 110.45 1swj s LEU 109 Ca 0.14 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1swj s LEU 109 Cb 0.01 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1swj s LEU 109 CO 0.01 -0.12 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 1swj s LEU 110 N 1.71 3.35 -0.06 1.79 2.96 -0.29 -1.05 118.68 127.08 1swj s LEU 110 Ca 0.05 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1swj s LEU 110 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1swj s LEU 110 CO -0.08 0.04 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.91 1swj s THR 111 N 1.18 2.71 0.22 3.68 2.01 0.68 -0.72 115.64 125.40 1swj s THR 111 Ca 0.04 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.27 1swj s THR 111 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1swj s THR 111 CO 0.02 0.58 0.07 -0.44 -0.69 0.00 0.00 174.62 174.16 1swj s SER 112 N -0.47 5.00 0.15 3.53 0.01 -0.74 -0.37 113.70 120.80 1swj s SER 112 Ca 0.06 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1swj s SER 112 Cb -0.12 -1.12 -0.08 0.00 0.21 0.00 0.00 66.02 64.92 1swj s SER 112 CO 0.01 0.03 1.23 -0.83 0.41 0.00 0.00 173.24 174.09 1swj s GLY 113 N -3.43 2.50 0.19 3.44 0.00 -0.86 -4.86 107.32 104.30 1swj s GLY 113 Ca 0.30 0.97 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1swj s GLY 113 CO 0.21 1.98 0.00 -0.51 0.00 0.00 0.00 173.10 174.79 1swj s THR 114 N 0.36 0.75 0.89 0.90 -4.23 -1.26 -5.06 115.64 107.99 1swj s THR 114 Ca 0.56 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1swj s THR 114 Cb -0.33 -2.18 0.13 0.00 1.34 0.00 0.00 72.50 71.46 1swj s THR 114 CO 0.34 -0.43 1.10 0.42 -0.54 0.00 0.00 174.62 175.51 1swj s THR 115 N -3.61 2.67 -1.04 3.99 -4.23 -1.26 -4.86 115.64 107.31 1swj s THR 115 Ca 0.25 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1swj s THR 115 Cb 0.06 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.60 1swj s THR 115 CO 0.05 -0.29 1.20 -0.62 -0.54 0.00 0.00 174.62 174.42 1swj n GLU 116 N -3.95 3.73 0.00 3.99 4.71 -1.26 -1.70 120.64 126.16 1swj n GLU 116 Ca 0.08 -4.52 0.00 0.00 -0.01 0.00 0.00 57.16 52.71 1swj n GLU 116 Cb 0.54 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 1swj n GLU 116 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1swj n ALA 117 N 1.94 0.00 0.37 0.62 0.00 -1.26 -4.83 120.51 117.35 1swj n ALA 117 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.79 1swj n ALA 117 Cb 0.36 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.97 1swj n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1swj n ASN 118 N -0.95 3.03 -0.07 0.00 5.03 -0.69 -4.59 115.26 117.01 1swj n ASN 118 Ca 0.00 -1.89 0.23 0.00 0.87 0.00 0.00 54.58 53.79 1swj n ASN 118 Cb 0.00 -0.16 0.70 0.00 -1.02 0.00 0.00 39.78 39.30 1swj n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1swj h ALA 119 N 3.74 2.63 0.00 5.41 0.00 -1.74 -1.81 119.26 127.48 1swj h ALA 119 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1swj h ALA 119 Cb 0.85 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1swj h ALA 119 CO 0.00 -0.82 -0.12 0.11 0.00 0.00 0.00 179.25 178.42 1swj h TRP 120 N 0.01 0.00 -0.72 0.00 5.08 -1.91 -2.99 115.95 115.42 1swj h TRP 120 Ca 0.32 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.78 1swj h TRP 120 Cb 1.28 0.00 -0.34 0.00 -3.00 0.00 0.00 29.16 27.10 1swj h TRP 120 CO -0.00 0.12 -0.33 0.36 -1.28 0.00 0.00 178.44 177.32 1swj n LYS 121 N -3.39 3.09 0.00 0.12 2.85 -0.68 -4.67 118.16 115.47 1swj n LYS 121 Ca -0.01 -3.81 0.11 0.00 -1.05 0.00 0.00 58.31 53.56 1swj n LYS 121 Cb 0.31 -2.19 0.12 0.00 -0.65 0.00 0.00 35.03 32.61 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 -0.83 0.70 -3.90 -5.58 3.41 -1.13 -4.94 113.62 101.35 1swj n SER 122 Ca 0.46 -0.54 -0.27 0.00 -0.26 0.00 0.00 58.87 58.26 1swj n SER 122 Cb 0.90 0.52 -0.17 0.00 -0.26 0.00 0.00 64.21 65.20 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 -2.99 1.07 0.11 6.66 2.01 -1.26 -1.79 115.64 119.45 1swj s THR 123 Ca 0.10 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1swj s THR 123 Cb 0.17 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1swj s THR 123 CO 0.76 0.28 0.32 -0.76 -0.69 0.00 0.00 174.62 174.53 1swj s LEU 124 N 1.67 4.30 0.08 4.42 1.43 0.10 -4.93 118.68 125.75 1swj s LEU 124 Ca 0.03 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1swj s LEU 124 Cb -0.14 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1swj s LEU 124 CO -0.08 0.10 -0.18 0.54 0.23 0.00 0.00 176.35 176.96 1swj s VAL 125 N -1.59 1.44 0.05 -1.59 0.11 -1.26 -1.14 120.40 116.43 1swj s VAL 125 Ca 0.38 -1.40 -0.13 0.00 -2.93 0.00 0.00 61.98 57.90 1swj s VAL 125 Cb -0.12 -1.33 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1swj s VAL 125 CO 0.25 -0.11 0.60 0.61 -3.33 0.00 0.00 175.10 173.12 1swj n GLY 126 N 1.25 0.72 3.03 6.54 0.00 -0.94 -5.00 105.19 110.78 1swj n GLY 126 Ca -0.20 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.36 0.56 0.02 1.61 -3.43 -1.26 0.68 115.29 110.12 1swj s HIS 127 Ca 0.14 -0.43 0.02 0.00 -0.80 0.00 0.00 55.06 53.99 1swj s HIS 127 Cb -0.01 -0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 30.78 1swj s HIS 127 CO 0.02 -0.09 -0.08 -0.51 -2.00 0.00 0.00 174.74 172.08 1swj s ASP 128 N -1.30 0.91 -0.11 7.38 1.01 -0.17 -4.93 116.67 119.45 1swj s ASP 128 Ca -0.09 -0.36 0.03 0.00 0.71 0.00 0.00 52.55 52.84 1swj s ASP 128 Cb -0.09 -0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1swj s ASP 128 CO 0.00 -0.06 -0.19 -0.89 0.21 0.00 0.00 175.17 174.24 1swj s THR 129 N -0.80 1.79 -0.09 -1.27 2.01 -1.26 0.34 115.64 116.35 1swj s THR 129 Ca -0.03 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1swj s THR 129 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1swj s THR 129 CO 0.00 0.50 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1swj s PHE 130 N 0.75 2.83 0.21 4.92 0.40 0.60 -3.74 117.98 123.95 1swj s PHE 130 Ca -0.10 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1swj s PHE 130 Cb -0.16 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 1swj s PHE 130 CO 0.01 0.07 -0.13 0.95 0.70 0.00 0.00 175.22 176.82 1swj s THR 131 N -0.28 1.69 -2.03 0.64 -4.23 -0.95 -2.09 115.64 108.40 1swj s THR 131 Ca 0.03 -2.19 0.30 0.00 -1.18 0.00 0.00 61.69 58.64 1swj s THR 131 Cb -0.13 -2.10 0.67 0.00 1.34 0.00 0.00 72.50 72.28 1swj s THR 131 CO 0.03 -0.56 1.98 0.29 -0.54 0.00 0.00 174.62 175.82 1swj n LYS 132 N -0.40 1.09 0.00 3.99 5.02 -1.26 -1.36 118.16 125.24 1swj n LYS 132 Ca -0.08 -0.35 0.14 0.00 -2.02 0.00 0.00 58.31 56.01 1swj n LYS 132 Cb 0.61 -1.49 0.85 0.00 -0.02 0.00 0.00 35.03 34.98 1swj n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16