#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swe h ILE 17 N 0.00 1.30 -3.95 -0.61 2.04 -1.98 -3.46 117.51 110.85 1swe h ILE 17 Ca 0.00 -2.27 -0.54 0.00 1.00 0.00 0.00 64.86 63.05 1swe h ILE 17 Cb 0.00 2.48 0.10 0.00 -0.74 0.00 0.00 36.82 38.66 1swe h ILE 17 CO 0.00 0.70 0.71 -0.89 0.00 0.00 0.00 178.15 178.67 1swe s THR 18 N -3.23 2.24 -5.00 -0.27 2.01 -1.26 -4.82 115.64 105.31 1swe s THR 18 Ca -0.10 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1swe s THR 18 Cb 0.06 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1swe s THR 18 CO 0.91 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.50 1swe n GLY 19 N 0.57 0.77 3.49 4.40 0.00 0.51 -4.99 105.19 109.96 1swe n GLY 19 Ca 0.02 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1swe n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swe s THR 20 N -2.57 4.18 0.09 2.61 2.01 -1.26 -1.27 115.64 119.43 1swe s THR 20 Ca 0.00 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.85 1swe s THR 20 Cb 0.00 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1swe s THR 20 CO 0.00 0.43 -0.22 0.26 -0.69 0.00 0.00 174.62 174.40 1swe s TRP 21 N 0.86 1.87 0.04 4.92 0.52 0.13 -4.69 118.94 122.60 1swe s TRP 21 Ca 0.02 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1swe s TRP 21 Cb -0.14 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1swe s TRP 21 CO 0.02 0.20 -0.22 0.71 0.02 0.00 0.00 176.95 177.68 1swe s TYR 22 N -1.08 1.97 0.52 -1.98 2.02 -0.64 0.32 117.35 118.47 1swe s TYR 22 Ca 0.08 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 1swe s TYR 22 Cb -0.10 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1swe s TYR 22 CO 0.04 0.09 0.41 0.54 -1.57 0.00 0.00 175.55 175.06 1swe s ASN 23 N -1.15 4.70 0.56 2.29 2.20 -1.03 -0.85 114.94 121.66 1swe s ASN 23 Ca 0.09 -1.14 0.37 0.00 -0.94 0.00 0.00 52.86 51.24 1swe s ASN 23 Cb -0.09 0.21 1.86 0.00 -2.00 0.00 0.00 41.25 41.23 1swe s ASN 23 CO 0.02 -1.01 2.12 0.06 -2.94 0.00 0.00 177.10 175.35 1swe h GLN 24 N 0.80 0.00 0.00 3.55 -0.00 -1.90 -0.09 115.11 117.48 1swe h GLN 24 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1swe h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1swe h GLN 24 CO 0.57 0.00 -0.42 -0.07 -0.00 0.00 0.00 178.83 178.91 1swe h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.94 -3.48 115.31 113.33 1swe h LEU 25 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1swe h LEU 25 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1swe h LEU 25 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1swe n GLY 26 N 1.24 0.92 3.79 0.83 0.00 -0.05 -4.76 105.19 107.16 1swe n GLY 26 Ca 0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1swe n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swe s SER 27 N -2.00 5.81 -0.17 1.61 0.01 -1.26 -4.66 113.70 113.04 1swe s SER 27 Ca 0.00 1.91 -0.02 0.00 1.31 0.00 0.00 55.95 59.16 1swe s SER 27 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1swe s SER 27 CO 0.00 -1.15 -0.09 -0.89 0.41 0.00 0.00 173.24 171.52 1swe s THR 28 N -2.24 3.19 -0.34 1.44 2.01 0.12 -2.47 115.64 117.36 1swe s THR 28 Ca 0.66 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1swe s THR 28 Cb -0.18 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 70.02 1swe s THR 28 CO 0.32 0.49 0.07 0.12 -0.69 0.00 0.00 174.62 174.93 1swe s PHE 29 N 0.79 3.42 -0.34 4.92 5.36 0.15 -1.13 117.98 131.15 1swe s PHE 29 Ca -0.04 -2.16 -0.07 0.00 -0.96 0.00 0.00 56.93 53.70 1swe s PHE 29 Cb -0.15 -2.53 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1swe s PHE 29 CO 0.01 -0.87 0.12 0.42 -1.46 0.00 0.00 175.22 173.44 1swe s ILE 30 N 1.18 3.92 0.03 3.12 1.01 -0.71 0.22 121.20 129.97 1swe s ILE 30 Ca 0.01 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.66 1swe s ILE 30 Cb -0.21 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1swe s ILE 30 CO -0.03 -0.17 -0.16 0.54 0.00 0.00 0.00 174.94 175.13 1swe s VAL 31 N 1.43 1.28 -0.12 2.92 0.11 -0.40 0.07 120.40 125.69 1swe s VAL 31 Ca -0.01 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1swe s VAL 31 Cb -0.19 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1swe s VAL 31 CO 0.03 0.10 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.83 1swe s THR 32 N -0.77 1.73 -0.46 5.04 2.01 0.17 -0.36 115.64 123.00 1swe s THR 32 Ca 0.04 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 1swe s THR 32 Cb -0.08 -1.55 0.04 0.00 0.01 0.00 0.00 72.50 70.92 1swe s THR 32 CO 0.01 0.49 0.49 0.00 -0.69 0.00 0.00 174.62 174.92 1swe s ALA 33 N 0.85 3.44 0.44 7.40 0.00 -1.26 -1.46 121.76 131.18 1swe s ALA 33 Ca -0.08 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 49.97 1swe s ALA 33 Cb -0.15 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1swe s ALA 33 CO -0.01 -1.76 0.95 0.20 0.00 0.00 0.00 175.76 175.14 1swe s GLY 34 N 2.26 2.31 0.61 0.00 0.00 -0.25 -4.89 107.32 107.36 1swe s GLY 34 Ca 0.11 0.32 0.40 0.00 0.00 0.00 0.00 44.72 45.56 1swe s GLY 34 CO 0.12 0.60 2.20 0.00 0.00 0.00 0.00 173.10 176.01 1swe h ALA 35 N 1.69 1.00 -0.06 3.20 0.00 -1.97 -2.01 119.26 121.10 1swe h ALA 35 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1swe h ALA 35 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swe h ALA 35 CO 0.61 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1swe n ASP 36 N -3.06 0.73 0.00 0.00 5.75 -1.26 -4.88 116.55 113.82 1swe n ASP 36 Ca -0.01 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1swe n ASP 36 Cb 0.17 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1swe n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swe n GLY 37 N 0.96 0.62 3.78 6.12 0.00 -0.76 -4.98 105.19 110.94 1swe n GLY 37 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1swe n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swe s ALA 38 N -2.43 3.28 -0.16 4.61 0.00 -1.24 -1.22 121.76 124.59 1swe s ALA 38 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1swe s ALA 38 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1swe s ALA 38 CO 0.00 0.22 -0.12 -0.51 0.00 0.00 0.00 175.76 175.35 1swe s LEU 39 N -1.88 2.66 0.15 0.00 1.02 0.26 -1.09 118.68 119.80 1swe s LEU 39 Ca 0.47 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 54.27 1swe s LEU 39 Cb -0.19 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1swe s LEU 39 CO 0.24 0.09 -0.11 0.42 0.02 0.00 0.00 176.35 177.01 1swe s THR 40 N 0.79 1.25 -4.84 5.49 -4.23 -0.54 -1.16 115.64 112.41 1swe s THR 40 Ca -0.04 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1swe s THR 40 Cb -0.15 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1swe s THR 40 CO 0.01 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1swe n GLY 41 N -0.12 -0.17 3.19 3.99 0.00 -1.18 0.44 105.19 111.34 1swe n GLY 41 Ca -0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1swe n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swe s THR 42 N -4.00 0.01 -0.00 2.61 -1.32 0.11 -2.50 115.64 110.55 1swe s THR 42 Ca 0.00 -0.08 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 1swe s THR 42 Cb 0.00 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1swe s THR 42 CO 0.00 -0.05 -0.21 -0.47 -2.21 0.00 0.00 174.62 171.68 1swe s TYR 43 N -0.08 2.48 -0.13 9.09 6.14 -0.21 -1.74 117.35 132.90 1swe s TYR 43 Ca -0.02 -0.32 -0.02 0.00 0.64 0.00 0.00 57.07 57.34 1swe s TYR 43 Cb -0.03 -1.50 0.04 0.00 0.42 0.00 0.00 41.96 40.89 1swe s TYR 43 CO 0.01 0.12 0.03 -2.00 0.64 0.00 0.00 175.55 174.35 1swe s GLU 44 N -0.96 0.48 0.07 4.97 2.12 -0.28 -1.95 118.70 123.15 1swe s GLU 44 Ca 0.12 -0.09 -0.20 0.00 0.36 0.00 0.00 54.97 55.16 1swe s GLU 44 Cb -0.10 -1.47 -0.07 0.00 0.26 0.00 0.00 34.13 32.75 1swe s GLU 44 CO 0.01 -0.48 0.60 0.45 -0.54 0.00 0.00 175.26 175.30 1swe s SER 45 N 1.97 7.08 0.00 -1.70 0.15 -1.26 0.16 113.70 120.11 1swe s SER 45 Ca 0.02 1.28 0.23 0.00 0.70 0.00 0.00 55.95 58.19 1swe s SER 45 Cb -0.15 -2.38 0.48 0.00 -1.71 0.00 0.00 66.02 62.27 1swe s SER 45 CO -0.07 0.23 1.43 0.00 1.20 0.00 0.00 173.24 176.03 1swe n ALA 46 N 1.91 2.44 -2.14 5.45 0.00 -1.26 -4.82 120.51 122.09 1swe n ALA 46 Ca -0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 53.44 52.34 1swe n ALA 46 Cb 0.51 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1swe n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swe s VAL 47 N -1.54 0.40 0.00 0.00 -7.23 -1.26 -5.04 120.40 105.73 1swe s VAL 47 Ca 0.38 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1swe s VAL 47 Cb 0.22 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1swe s VAL 47 CO 0.31 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1swe n GLY 48 N 0.01 -2.12 3.48 2.32 0.00 -1.26 -4.62 105.19 103.00 1swe n GLY 48 Ca -0.12 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 1swe n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swe n ASN 49 N 0.81 5.17 -3.54 1.61 5.15 -1.26 -4.87 115.26 118.33 1swe n ASN 49 Ca 0.00 -2.97 -0.15 0.00 -0.60 0.00 0.00 54.58 50.86 1swe n ASN 49 Cb 0.00 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 37.59 1swe n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1swe s ALA 50 N 2.06 -1.53 -0.26 5.20 0.00 -1.26 -4.56 121.76 121.40 1swe s ALA 50 Ca 0.45 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 1swe s ALA 50 Cb -0.01 0.26 0.07 0.00 0.00 0.00 0.00 23.12 23.44 1swe s ALA 50 CO 0.02 -0.46 0.72 -1.83 0.00 0.00 0.00 175.76 174.21 1swe s GLU 51 N -1.98 0.84 2.42 0.00 -1.05 -1.26 -4.96 118.70 112.71 1swe s GLU 51 Ca -0.08 0.97 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 1swe s GLU 51 Cb -0.01 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1swe s GLU 51 CO 0.02 -0.11 0.00 0.45 0.95 0.00 0.00 175.26 176.58 1swe n SER 52 N 2.63 -1.80 -4.87 0.83 2.88 -1.26 -4.80 113.62 107.24 1swe n SER 52 Ca -0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1swe n SER 52 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1swe n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swe s ARG 53 N 0.00 3.81 0.08 -1.46 0.52 -1.26 -4.62 118.95 116.02 1swe s ARG 53 Ca 0.00 0.24 0.09 0.00 -0.52 0.00 0.00 55.73 55.55 1swe s ARG 53 Cb 0.00 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 1swe s ARG 53 CO 0.00 0.48 -0.25 0.71 0.02 0.00 0.00 175.30 176.26 1swe s TYR 54 N -1.53 2.15 0.24 -0.53 1.51 -0.83 -4.86 117.35 113.50 1swe s TYR 54 Ca 0.38 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.75 1swe s TYR 54 Cb -0.13 -1.23 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 1swe s TYR 54 CO 0.20 0.20 1.22 0.08 -1.11 0.00 0.00 175.55 176.14 1swe s VAL 55 N -0.93 3.31 0.18 0.71 1.01 -1.26 -1.05 120.40 122.37 1swe s VAL 55 Ca 0.11 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.37 1swe s VAL 55 Cb -0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1swe s VAL 55 CO 0.04 0.22 -0.17 -1.48 0.00 0.00 0.00 175.10 173.71 1swe s LEU 56 N -0.77 2.71 0.04 3.92 0.05 -1.04 -4.42 118.68 119.16 1swe s LEU 56 Ca 0.51 -0.71 -0.03 0.00 0.05 0.00 0.00 54.13 53.95 1swe s LEU 56 Cb -0.35 -1.43 -0.02 0.00 -2.05 0.00 0.00 46.19 42.35 1swe s LEU 56 CO 0.41 0.12 0.03 0.28 -0.55 0.00 0.00 176.35 176.64 1swe s THR 57 N -1.64 0.15 0.00 5.48 -1.32 -0.80 -3.12 115.64 114.38 1swe s THR 57 Ca 0.22 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1swe s THR 57 Cb -0.09 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1swe s THR 57 CO 0.12 -0.67 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 1swe n GLY 58 N 0.83 2.07 3.20 6.08 0.00 -0.31 -0.72 105.19 116.35 1swe n GLY 58 Ca -0.19 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1swe n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swe s ARG 59 N -0.46 0.79 0.13 1.61 1.81 -0.31 -0.58 118.95 121.94 1swe s ARG 59 Ca 0.00 -0.78 -0.11 0.00 -1.72 0.00 0.00 55.73 53.11 1swe s ARG 59 Cb 0.00 0.32 0.01 0.00 -0.45 0.00 0.00 34.95 34.83 1swe s ARG 59 CO 0.00 -0.24 0.29 1.52 -0.68 0.00 0.00 175.30 176.19 1swe s TYR 60 N -3.24 0.11 -0.45 -0.53 1.13 -0.36 -1.62 117.35 112.39 1swe s TYR 60 Ca 0.00 -0.49 -0.27 0.00 -1.41 0.00 0.00 57.07 54.89 1swe s TYR 60 Cb 0.02 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 1swe s TYR 60 CO -0.08 -0.66 1.85 0.34 -2.51 0.00 0.00 175.55 174.50 1swe s ASP 61 N -2.88 5.56 0.00 -0.18 -1.08 0.32 -4.61 116.67 113.81 1swe s ASP 61 Ca 0.08 0.89 0.28 0.00 -0.52 0.00 0.00 52.55 53.28 1swe s ASP 61 Cb 0.03 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 40.04 1swe s ASP 61 CO -0.08 -2.05 1.78 -1.54 0.52 0.00 0.00 175.17 173.81 1swe n SER 62 N 11.60 0.36 -3.17 -0.34 3.41 -1.26 -4.05 113.62 120.18 1swe n SER 62 Ca 0.23 -0.24 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 1swe n SER 62 Cb 0.49 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1swe n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swe n ALA 63 N -1.20 3.46 -0.68 7.33 0.00 -1.26 -5.05 120.51 123.10 1swe n ALA 63 Ca 0.11 -4.16 -0.17 0.00 0.00 0.00 0.00 53.44 49.21 1swe n ALA 63 Cb 0.31 -0.84 0.25 0.00 0.00 0.00 0.00 19.45 19.17 1swe n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1swe n PRO 64 N 0.47 -3.79 -2.50 0.00 -0.04 -1.26 -5.01 135.00 122.87 1swe n PRO 64 Ca 0.27 -1.45 -0.29 0.00 -0.04 0.00 0.00 63.50 62.00 1swe n PRO 64 Cb 0.49 -1.60 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1swe n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1swe s ALA 65 N -2.56 3.32 -0.93 0.55 0.00 -1.26 -5.02 121.76 115.86 1swe s ALA 65 Ca 0.62 -0.35 0.15 0.00 0.00 0.00 0.00 51.96 52.39 1swe s ALA 65 Cb -0.08 -2.73 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 1swe s ALA 65 CO 0.50 -0.37 0.70 0.25 0.00 0.00 0.00 175.76 176.84 1swe n THR 66 N -2.20 0.00 0.80 0.00 -2.24 -1.26 -4.45 114.28 104.94 1swe n THR 66 Ca 0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1swe n THR 66 Cb 0.55 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1swe n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swe n ASP 67 N -0.99 0.34 0.00 3.42 5.68 -1.26 -4.67 116.55 119.07 1swe n ASP 67 Ca 0.04 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1swe n ASP 67 Cb 0.26 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1swe n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swe n GLY 68 N 0.16 0.72 3.77 6.12 0.00 -1.26 -5.05 105.19 109.64 1swe n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1swe n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swe s SER 69 N -2.83 6.01 1.08 1.61 0.01 -1.26 -4.99 113.70 113.33 1swe s SER 69 Ca 0.00 2.27 -0.18 0.00 1.31 0.00 0.00 55.95 59.35 1swe s SER 69 Cb 0.00 -2.60 0.25 0.00 0.21 0.00 0.00 66.02 63.88 1swe s SER 69 CO 0.00 -1.02 1.24 -0.83 0.41 0.00 0.00 173.24 173.04 1swe s GLY 70 N -1.49 1.71 -0.29 3.44 0.00 -1.26 -4.73 107.32 104.70 1swe s GLY 70 Ca 0.67 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1swe s GLY 70 CO 0.32 -0.30 0.01 -1.59 0.00 0.00 0.00 173.10 171.54 1swe s THR 71 N -3.54 3.30 0.33 0.90 2.01 0.38 -4.71 115.64 114.31 1swe s THR 71 Ca 0.74 -1.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 1swe s THR 71 Cb -0.05 -2.77 -0.10 0.00 0.01 0.00 0.00 72.50 69.59 1swe s THR 71 CO 0.54 0.03 1.26 0.00 -0.69 0.00 0.00 174.62 175.77 1swe s ALA 72 N 1.36 3.45 0.17 7.40 0.00 -1.26 0.14 121.76 133.02 1swe s ALA 72 Ca -0.01 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 1swe s ALA 72 Cb -0.18 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.55 1swe s ALA 72 CO -0.01 -0.57 0.74 -0.48 0.00 0.00 0.00 175.76 175.44 1swe s LEU 73 N -1.83 -0.37 -0.02 0.00 2.34 -0.96 -0.52 118.68 117.32 1swe s LEU 73 Ca 0.49 -0.27 -0.29 0.00 0.06 0.00 0.00 54.13 54.12 1swe s LEU 73 Cb -0.38 2.49 0.08 0.00 -0.56 0.00 0.00 46.19 47.81 1swe s LEU 73 CO 0.50 -1.03 0.70 -0.83 -1.06 0.00 0.00 176.35 174.63 1swe s GLY 74 N -2.80 -0.56 0.23 -3.48 0.00 -0.64 -1.61 107.32 98.47 1swe s GLY 74 Ca 0.07 1.21 -0.15 0.00 0.00 0.00 0.00 44.72 45.85 1swe s GLY 74 CO -0.03 0.79 0.51 0.66 0.00 0.00 0.00 173.10 175.03 1swe s TRP 75 N -1.74 0.13 0.01 1.90 -2.14 -0.81 -1.16 118.94 115.13 1swe s TRP 75 Ca -0.07 -0.50 0.02 0.00 2.66 0.00 0.00 56.10 58.21 1swe s TRP 75 Cb -0.00 0.31 -0.01 0.00 -3.10 0.00 0.00 33.47 30.67 1swe s TRP 75 CO 0.04 -0.98 -0.06 0.99 -2.66 0.00 0.00 176.95 174.28 1swe s THR 76 N -3.95 0.45 -0.10 0.66 2.01 0.10 -1.34 115.64 113.47 1swe s THR 76 Ca 0.16 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1swe s THR 76 Cb -0.01 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1swe s THR 76 CO 0.04 -0.03 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.13 1swe s VAL 77 N -0.49 1.27 -0.24 3.82 1.01 -0.41 -1.90 120.40 123.47 1swe s VAL 77 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1swe s VAL 77 Cb -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1swe s VAL 77 CO -0.00 0.39 0.13 0.00 0.00 0.00 0.00 175.10 175.62 1swe s ALA 78 N 1.05 3.45 -1.38 5.51 0.00 -1.26 -0.64 121.76 128.49 1swe s ALA 78 Ca -0.07 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 1swe s ALA 78 Cb -0.15 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1swe s ALA 78 CO -0.01 -0.26 2.64 0.91 0.00 0.00 0.00 175.76 179.04 1swe n TRP 79 N 4.44 2.44 -4.19 0.00 7.02 0.12 -4.77 117.44 122.51 1swe n TRP 79 Ca -0.15 -2.87 -0.22 0.00 -1.02 0.00 0.00 57.50 53.24 1swe n TRP 79 Cb 0.52 -2.06 -0.17 0.00 -2.42 0.00 0.00 31.31 27.18 1swe n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swe s LYS 80 N 0.10 1.03 0.00 -0.99 2.20 -1.26 -1.34 119.74 119.48 1swe s LYS 80 Ca 0.60 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1swe s LYS 80 Cb 0.19 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.49 1swe s LYS 80 CO -0.08 -0.10 0.00 0.27 -0.36 0.00 0.00 175.35 175.08 1swe n ASN 81 N 4.18 0.00 0.30 1.43 0.23 -0.25 -4.81 115.26 116.34 1swe n ASN 81 Ca -0.22 -0.75 0.17 0.00 -0.53 0.00 0.00 54.58 53.25 1swe n ASN 81 Cb 0.51 0.00 0.96 0.00 -2.08 0.00 0.00 39.78 39.17 1swe n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swe h ASN 82 N 0.00 0.00 0.02 0.53 -0.26 -1.96 -3.16 115.58 110.75 1swe h ASN 82 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.37 1swe h ASN 82 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 1swe h ASN 82 CO 0.00 0.01 -2.36 -1.22 -1.06 0.00 0.00 177.43 172.80 1swe n TYR 83 N -3.66 0.05 -3.81 1.19 4.01 -1.26 -5.05 117.16 108.63 1swe n TYR 83 Ca -0.03 0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.68 1swe n TYR 83 Cb 0.10 -1.01 -0.01 0.00 -0.31 0.00 0.00 39.34 38.11 1swe n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swe s ARG 84 N -2.50 1.52 -0.17 -0.72 1.70 -1.20 -5.11 118.95 112.48 1swe s ARG 84 Ca -0.10 -0.87 -0.04 0.00 -0.47 0.00 0.00 55.73 54.25 1swe s ARG 84 Cb 0.06 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 35.01 1swe s ARG 84 CO 0.83 -0.70 0.17 1.21 -1.08 0.00 0.00 175.30 175.73 1swe s ASN 85 N -2.98 1.56 0.00 -2.89 2.47 -1.26 -1.09 114.94 110.74 1swe s ASN 85 Ca 0.13 -0.24 0.26 0.00 0.42 0.00 0.00 52.86 53.43 1swe s ASN 85 Cb -0.03 0.16 0.71 0.00 -1.45 0.00 0.00 41.25 40.64 1swe s ASN 85 CO 0.05 -0.32 1.54 0.00 -3.72 0.00 0.00 177.10 174.65 1swe n ALA 86 N 5.31 3.15 -3.73 1.71 0.00 -0.45 -4.97 120.51 121.53 1swe n ALA 86 Ca -0.06 -0.40 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 1swe n ALA 86 Cb 0.49 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.85 1swe n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swe n HIS 87 N -0.74 -1.88 -3.67 0.00 -0.00 -1.26 -4.87 115.22 102.81 1swe n HIS 87 Ca 0.11 0.61 -0.10 0.00 -0.00 0.00 0.00 57.72 58.34 1swe n HIS 87 Cb 0.35 -3.72 -0.04 0.00 -0.00 0.00 0.00 29.99 26.58 1swe n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swe s SER 88 N -3.84 -0.29 -0.05 0.41 1.04 -1.26 -1.60 113.70 108.11 1swe s SER 88 Ca 0.28 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 1swe s SER 88 Cb -0.09 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1swe s SER 88 CO 0.85 -0.97 0.14 0.00 0.98 0.00 0.00 173.24 174.24 1swe s ALA 89 N -3.84 -0.35 -0.02 5.32 0.00 -0.80 -0.70 121.76 121.38 1swe s ALA 89 Ca 0.06 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1swe s ALA 89 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1swe s ALA 89 CO -0.07 -0.09 -0.16 0.99 0.00 0.00 0.00 175.76 176.42 1swe s THR 90 N -0.15 1.31 -0.08 0.00 2.01 0.19 -0.70 115.64 118.22 1swe s THR 90 Ca -0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1swe s THR 90 Cb -0.02 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1swe s THR 90 CO 0.00 0.37 -0.18 0.42 -0.69 0.00 0.00 174.62 174.55 1swe s THR 91 N -0.33 1.56 -0.15 -0.82 -4.23 -0.68 -1.28 115.64 109.71 1swe s THR 91 Ca 0.05 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1swe s THR 91 Cb -0.07 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 1swe s THR 91 CO -0.00 0.45 0.03 0.26 -0.54 0.00 0.00 174.62 174.81 1swe s TRP 92 N 0.43 3.20 -0.07 3.99 0.51 -0.45 -0.66 118.94 125.89 1swe s TRP 92 Ca -0.14 0.05 0.01 0.00 -2.12 0.00 0.00 56.10 53.89 1swe s TRP 92 Cb -0.16 -1.97 0.02 0.00 -0.81 0.00 0.00 33.47 30.55 1swe s TRP 92 CO 0.06 0.23 -0.05 0.45 -0.51 0.00 0.00 176.95 177.12 1swe s SER 93 N -0.05 1.43 0.00 2.95 0.15 0.65 -1.92 113.70 116.92 1swe s SER 93 Ca 0.05 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1swe s SER 93 Cb -0.12 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1swe s SER 93 CO 0.02 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1swe n GLY 94 N 4.38 1.69 3.21 9.45 0.00 -0.63 -0.42 105.19 122.86 1swe n GLY 94 Ca -0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1swe n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swe s GLN 95 N 2.11 0.58 -0.14 1.61 -2.07 0.14 -2.27 119.66 119.62 1swe s GLN 95 Ca 0.00 -0.09 -0.21 0.00 -1.82 0.00 0.00 55.36 53.24 1swe s GLN 95 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 1swe s GLN 95 CO 0.00 -0.14 0.60 -0.47 -1.32 0.00 0.00 175.29 173.96 1swe s TYR 96 N -1.02 3.47 -0.11 9.60 5.04 0.12 -1.16 117.35 133.28 1swe s TYR 96 Ca -0.11 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 1swe s TYR 96 Cb -0.05 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.55 1swe s TYR 96 CO 0.03 -0.01 -0.15 0.08 -1.34 0.00 0.00 175.55 174.16 1swe s VAL 97 N 1.25 1.50 0.87 3.14 1.01 -0.68 0.14 120.40 127.63 1swe s VAL 97 Ca 0.30 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1swe s VAL 97 Cb -0.16 -1.37 0.20 0.00 0.00 0.00 0.00 36.38 35.05 1swe s VAL 97 CO 0.12 0.44 1.18 0.61 0.00 0.00 0.00 175.10 177.46 1swe n GLY 98 N 4.25 -1.42 0.00 4.51 0.00 -1.26 -2.39 105.19 108.88 1swe n GLY 98 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1swe n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swe n GLY 99 N -2.74 0.21 0.40 -0.02 0.00 -1.26 -4.88 105.19 96.90 1swe n GLY 99 Ca 0.15 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1swe n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swe h ALA 100 N 0.00 -1.04 -3.83 4.61 0.00 -2.06 -3.43 119.26 113.51 1swe h ALA 100 Ca 0.00 -0.14 -0.49 0.00 0.00 0.00 0.00 54.91 54.28 1swe h ALA 100 Cb 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 17.79 18.22 1swe h ALA 100 CO 0.00 -1.08 -0.81 -1.83 0.00 0.00 0.00 179.25 175.53 1swe s GLU 101 N -5.25 1.09 0.56 0.00 1.03 -1.26 -5.14 118.70 109.73 1swe s GLU 101 Ca -0.14 -0.85 -0.19 0.00 0.03 0.00 0.00 54.97 53.82 1swe s GLU 101 Cb 0.04 -1.15 -0.05 0.00 -0.80 0.00 0.00 34.13 32.17 1swe s GLU 101 CO 0.48 0.28 1.12 0.00 -1.33 0.00 0.00 175.26 175.82 1swe s ALA 102 N -0.87 2.67 0.01 -0.84 0.00 -1.26 -4.85 121.76 116.62 1swe s ALA 102 Ca 0.04 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1swe s ALA 102 Cb -0.08 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1swe s ALA 102 CO 0.02 -0.82 0.54 -0.98 0.00 0.00 0.00 175.76 174.51 1swe s ARG 103 N -3.40 0.99 -0.19 0.00 1.70 -1.00 -4.31 118.95 112.74 1swe s ARG 103 Ca 0.72 -0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.89 1swe s ARG 103 Cb -0.23 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.64 1swe s ARG 103 CO 0.29 -0.34 -0.15 0.42 -1.08 0.00 0.00 175.30 174.44 1swe s ILE 104 N -1.95 1.90 -0.27 4.99 1.01 0.88 -1.69 121.20 126.07 1swe s ILE 104 Ca -0.08 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 1swe s ILE 104 Cb -0.01 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1swe s ILE 104 CO 0.02 0.36 0.17 0.20 0.00 0.00 0.00 174.94 175.69 1swe s ASN 105 N 1.32 6.00 0.17 3.58 0.01 -0.31 0.04 114.94 125.75 1swe s ASN 105 Ca 0.01 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.23 1swe s ASN 105 Cb -0.15 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1swe s ASN 105 CO -0.10 -0.01 -0.10 0.42 -1.51 0.00 0.00 177.10 175.79 1swe s THR 106 N 1.54 1.29 0.15 1.60 -4.23 0.14 0.28 115.64 116.41 1swe s THR 106 Ca 0.07 -2.09 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1swe s THR 106 Cb -0.15 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1swe s THR 106 CO 0.09 -0.68 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.17 1swe s GLN 107 N -3.73 1.62 0.11 3.99 -0.21 0.43 -2.11 119.66 119.75 1swe s GLN 107 Ca 0.19 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1swe s GLN 107 Cb 0.02 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1swe s GLN 107 CO 0.03 0.44 -0.02 1.67 -2.12 0.00 0.00 175.29 175.29 1swe s TRP 108 N -1.33 0.85 -0.05 0.91 1.48 0.26 -0.25 118.94 120.80 1swe s TRP 108 Ca 0.18 -1.04 0.03 0.00 -1.06 0.00 0.00 56.10 54.22 1swe s TRP 108 Cb -0.09 -0.51 0.00 0.00 -1.16 0.00 0.00 33.47 31.71 1swe s TRP 108 CO 0.09 -0.29 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.04 1swe s LEU 109 N -3.04 1.81 -0.20 -4.66 1.43 0.17 -2.80 118.68 111.38 1swe s LEU 109 Ca 0.15 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1swe s LEU 109 Cb 0.07 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1swe s LEU 109 CO -0.03 0.10 -0.10 -0.22 0.23 0.00 0.00 176.35 176.33 1swe s LEU 110 N 0.30 2.30 -0.15 1.79 2.96 -0.63 -1.68 118.68 123.57 1swe s LEU 110 Ca -0.08 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.88 1swe s LEU 110 Cb -0.13 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1swe s LEU 110 CO 0.03 -0.15 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.99 1swe s THR 111 N 1.40 4.02 0.15 3.68 2.01 0.12 -1.56 115.64 125.45 1swe s THR 111 Ca -0.02 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 1swe s THR 111 Cb -0.16 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1swe s THR 111 CO -0.08 0.50 0.42 -0.44 -0.69 0.00 0.00 174.62 174.33 1swe s SER 112 N 0.21 6.55 -0.19 3.53 0.01 0.13 -1.91 113.70 122.04 1swe s SER 112 Ca -0.01 0.71 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 1swe s SER 112 Cb -0.14 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 63.95 1swe s SER 112 CO 0.03 0.05 1.11 -0.83 0.41 0.00 0.00 173.24 174.01 1swe s GLY 113 N -2.27 1.77 0.30 3.44 0.00 -0.63 -4.85 107.32 105.09 1swe s GLY 113 Ca 0.41 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.45 1swe s GLY 113 CO 0.22 2.25 0.11 -0.51 0.00 0.00 0.00 173.10 175.18 1swe s THR 114 N 3.12 0.63 0.98 0.90 -4.23 -1.26 -5.01 115.64 110.76 1swe s THR 114 Ca 0.48 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1swe s THR 114 Cb -0.18 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.24 1swe s THR 114 CO 0.11 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.70 1swe s THR 115 N -3.56 2.19 0.41 3.99 -4.23 -1.26 -4.88 115.64 108.30 1swe s THR 115 Ca 0.35 0.06 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 1swe s THR 115 Cb 0.07 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.62 1swe s THR 115 CO 0.15 -0.08 2.06 -0.33 -0.54 0.00 0.00 174.62 175.88 1swe h GLU 116 N -1.82 0.53 -0.06 3.99 4.39 -2.01 -2.63 114.58 116.97 1swe h GLU 116 Ca -0.53 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.02 1swe h GLU 116 Cb 1.32 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1swe h GLU 116 CO 0.57 0.35 -0.49 0.00 -1.16 0.00 0.00 179.01 178.28 1swe h ALA 117 N 1.74 1.07 -0.07 3.43 0.00 -2.07 -3.16 119.26 120.20 1swe h ALA 117 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1swe h ALA 117 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1swe h ALA 117 CO -0.04 0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.94 1swe n ASN 118 N -3.96 2.84 0.33 0.00 3.02 -1.06 -4.46 115.26 111.97 1swe n ASN 118 Ca -0.02 -1.93 0.21 0.00 -0.03 0.00 0.00 54.58 52.81 1swe n ASN 118 Cb 0.52 -0.03 1.14 0.00 -0.61 0.00 0.00 39.78 40.80 1swe n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swe h ALA 119 N 4.64 1.13 0.00 5.41 0.00 -1.44 -1.40 119.26 127.59 1swe h ALA 119 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1swe h ALA 119 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1swe h ALA 119 CO 0.00 -0.04 0.00 0.11 0.00 0.00 0.00 179.25 179.32 1swe h TRP 120 N 0.00 0.00 -0.33 0.00 5.08 -1.84 -2.63 115.95 116.23 1swe h TRP 120 Ca 0.00 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.74 1swe h TRP 120 Cb 0.07 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 26.05 1swe h TRP 120 CO 0.00 0.00 -0.61 0.36 -1.28 0.00 0.00 178.44 176.91 1swe n LYS 121 N -2.68 2.44 0.17 0.12 2.85 -0.53 -4.73 118.16 115.80 1swe n LYS 121 Ca 0.01 -3.66 0.11 0.00 -1.05 0.00 0.00 58.31 53.72 1swe n LYS 121 Cb 0.23 -1.90 0.09 0.00 -0.65 0.00 0.00 35.03 32.80 1swe n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swe h SER 122 N 1.50 0.00 -3.23 -5.58 4.64 -1.53 -3.47 113.55 105.88 1swe h SER 122 Ca 0.16 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.99 1swe h SER 122 Cb 1.24 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.96 1swe h SER 122 CO 0.34 0.02 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.64 1swe s THR 123 N -3.26 0.84 0.28 2.95 2.01 -1.26 -0.70 115.64 116.50 1swe s THR 123 Ca 0.04 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 1swe s THR 123 Cb 0.07 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1swe s THR 123 CO 0.72 0.33 0.51 -0.76 -0.69 0.00 0.00 174.62 174.74 1swe s LEU 124 N 1.68 4.09 0.01 4.42 1.43 -0.60 -4.92 118.68 124.79 1swe s LEU 124 Ca 0.03 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1swe s LEU 124 Cb -0.13 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1swe s LEU 124 CO -0.06 -0.17 -0.08 0.54 0.23 0.00 0.00 176.35 176.80 1swe s VAL 125 N -2.06 0.60 0.20 -1.59 0.11 -1.26 -1.61 120.40 114.80 1swe s VAL 125 Ca 0.42 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1swe s VAL 125 Cb -0.11 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1swe s VAL 125 CO 0.31 0.01 0.40 0.61 -3.33 0.00 0.00 175.10 173.09 1swe n GLY 126 N 2.44 1.53 2.90 6.54 0.00 -1.12 -5.01 105.19 112.47 1swe n GLY 126 Ca -0.16 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 1swe n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swe s HIS 127 N -5.37 -0.10 0.02 1.61 -3.43 -1.26 -0.58 115.29 106.18 1swe s HIS 127 Ca 0.09 0.32 0.08 0.00 -0.80 0.00 0.00 55.06 54.75 1swe s HIS 127 Cb -0.02 -0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 1swe s HIS 127 CO 0.06 -0.11 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.96 1swe s ASP 128 N 0.77 3.45 -0.18 7.38 1.01 -0.90 -4.99 116.67 123.21 1swe s ASP 128 Ca -0.06 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.74 1swe s ASP 128 Cb -0.08 -0.47 0.02 0.00 1.01 0.00 0.00 42.92 43.40 1swe s ASP 128 CO -0.03 0.28 -0.20 -0.89 0.21 0.00 0.00 175.17 174.54 1swe s THR 129 N -0.79 2.12 -0.13 -1.27 2.01 -1.26 -0.68 115.64 115.64 1swe s THR 129 Ca 0.12 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1swe s THR 129 Cb -0.10 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1swe s THR 129 CO 0.02 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 1swe s PHE 130 N 1.23 3.24 0.13 4.92 0.40 0.11 -2.94 117.98 125.06 1swe s PHE 130 Ca 0.03 0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1swe s PHE 130 Cb -0.13 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 1swe s PHE 130 CO -0.11 0.35 0.03 -0.08 0.70 0.00 0.00 175.22 176.11 1swe s THR 131 N -0.36 0.25 -1.05 0.64 -1.32 -0.03 -0.09 115.64 113.68 1swe s THR 131 Ca 0.08 -1.92 0.07 0.00 -1.21 0.00 0.00 61.69 58.72 1swe s THR 131 Cb -0.12 -2.01 0.34 0.00 -1.51 0.00 0.00 72.50 69.20 1swe s THR 131 CO 0.02 -0.52 1.10 0.29 -2.21 0.00 0.00 174.62 173.30 1swe n LYS 132 N -0.11 2.44 0.00 7.08 5.02 -1.26 -1.63 118.16 129.71 1swe n LYS 132 Ca -0.07 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1swe n LYS 132 Cb 0.63 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1swe n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21