#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 1.47 -3.05 -0.61 2.04 -1.97 -3.45 117.51 111.94 1swe h ILE 17 Ca 0.00 -2.36 -0.53 0.00 1.00 0.00 0.00 64.86 62.97 1swe h ILE 17 Cb 0.00 2.27 0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1swe h ILE 17 CO 0.00 0.69 0.91 0.41 0.00 0.00 0.00 178.15 180.15 1swe n THR 18 N -3.74 0.71 -0.63 -0.27 -1.04 -1.26 -4.82 114.28 103.23 1swe n THR 18 Ca -0.02 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1swe n THR 18 Cb 0.71 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1swe n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swe n GLY 19 N 2.70 -0.18 3.37 3.41 0.00 0.96 -4.98 105.19 110.47 1swe n GLY 19 Ca 0.11 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.79 3.55 0.25 2.61 2.01 -1.26 -0.86 115.64 120.15 1swe s THR 20 Ca 0.00 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.65 1swe s THR 20 Cb 0.00 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1swe s THR 20 CO 0.00 0.44 -0.15 0.26 -0.69 0.00 0.00 174.62 174.48 1swe s TRP 21 N 1.11 2.03 0.10 4.92 0.52 0.41 -4.55 118.94 123.48 1swe s TRP 21 Ca 0.02 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.70 1swe s TRP 21 Cb -0.15 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1swe s TRP 21 CO -0.00 0.52 -0.13 0.71 0.02 0.00 0.00 176.95 178.07 1swe s TYR 22 N -2.76 1.25 0.26 -1.98 1.51 0.14 -0.63 117.35 115.14 1swe s TYR 22 Ca 0.27 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1swe s TYR 22 Cb -0.02 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1swe s TYR 22 CO 0.12 0.08 0.10 0.27 -1.11 0.00 0.00 175.55 175.01 1swe n ASN 23 N 0.69 2.28 0.00 2.29 0.23 -1.05 0.16 115.26 119.87 1swe n ASN 23 Ca -0.17 -2.03 0.09 0.00 -0.53 0.00 0.00 54.58 51.95 1swe n ASN 23 Cb 0.57 0.08 0.41 0.00 -2.08 0.00 0.00 39.78 38.76 1swe n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swe n GLN 24 N -0.89 0.04 0.04 -3.83 0.00 -1.19 -1.19 117.38 110.35 1swe n GLN 24 Ca -0.06 0.17 0.12 0.00 0.00 0.00 0.00 57.00 57.22 1swe n GLN 24 Cb 0.32 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.16 1swe n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swe n LEU 25 N -1.47 0.64 0.00 2.61 4.77 -1.26 -4.95 117.00 117.33 1swe n LEU 25 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1swe n LEU 25 Cb 0.21 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1swe n LEU 25 CO 0.17 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1swe n GLY 26 N 1.37 0.87 3.85 -0.72 0.00 -0.33 -4.70 105.19 105.53 1swe n GLY 26 Ca 0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.05 6.01 -0.13 1.61 0.01 -1.26 -4.63 113.70 113.26 1swe s SER 27 Ca 0.00 1.52 0.02 0.00 1.31 0.00 0.00 55.95 58.80 1swe s SER 27 Cb 0.00 -2.49 -0.00 0.00 0.21 0.00 0.00 66.02 63.74 1swe s SER 27 CO 0.00 -1.02 -0.19 -0.89 0.41 0.00 0.00 173.24 171.56 1swe s THR 28 N -3.03 2.45 -0.30 1.44 2.01 0.11 -2.54 115.64 115.78 1swe s THR 28 Ca 0.57 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1swe s THR 28 Cb -0.12 -2.00 0.06 0.00 0.01 0.00 0.00 72.50 70.45 1swe s THR 28 CO 0.50 0.54 -0.00 0.12 -0.69 0.00 0.00 174.62 175.09 1swe s PHE 29 N 0.60 3.32 -0.21 4.92 5.36 0.20 -0.49 117.98 131.69 1swe s PHE 29 Ca -0.10 -2.08 -0.03 0.00 -0.96 0.00 0.00 56.93 53.75 1swe s PHE 29 Cb -0.16 -2.22 -0.01 0.00 -0.34 0.00 0.00 43.02 40.29 1swe s PHE 29 CO 0.03 -0.84 -0.05 0.42 -1.46 0.00 0.00 175.22 173.31 1swe s ILE 30 N 1.19 3.35 0.14 3.12 1.01 -0.43 -0.45 121.20 129.14 1swe s ILE 30 Ca -0.04 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1swe s ILE 30 Cb -0.20 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1swe s ILE 30 CO -0.03 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 174.52 1swe s VAL 31 N 1.28 1.40 -0.08 2.92 1.01 -0.04 -1.30 120.40 125.60 1swe s VAL 31 Ca 0.03 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.18 1swe s VAL 31 Cb -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.62 1swe s VAL 31 CO -0.02 -0.46 -0.01 -0.89 0.00 0.00 0.00 175.10 173.71 1swe s THR 32 N -2.35 0.49 -0.31 3.92 2.01 0.43 -0.03 115.64 119.81 1swe s THR 32 Ca 0.12 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1swe s THR 32 Cb -0.04 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1swe s THR 32 CO 0.03 0.27 0.16 0.00 -0.69 0.00 0.00 174.62 174.40 1swe s ALA 33 N 1.85 3.32 0.86 7.40 0.00 -1.26 -0.68 121.76 133.25 1swe s ALA 33 Ca 0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 1swe s ALA 33 Cb -0.12 -2.40 0.11 0.00 0.00 0.00 0.00 23.12 20.71 1swe s ALA 33 CO -0.05 -0.84 1.12 0.20 0.00 0.00 0.00 175.76 176.19 1swe s GLY 34 N 1.64 1.60 0.24 0.00 0.00 0.50 -4.91 107.32 106.39 1swe s GLY 34 Ca 0.05 -0.38 0.17 0.00 0.00 0.00 0.00 44.72 44.56 1swe s GLY 34 CO 0.07 0.12 1.27 0.00 0.00 0.00 0.00 173.10 174.56 1swe h ALA 35 N -1.32 0.70 -0.00 3.20 0.00 -1.98 -3.15 119.26 116.69 1swe h ALA 35 Ca -0.49 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1swe h ALA 35 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1swe h ALA 35 CO 0.61 0.54 -0.09 -0.40 0.00 0.00 0.00 179.25 179.90 1swe n ASP 36 N -3.06 0.32 0.00 0.00 5.75 -1.26 -4.92 116.55 113.38 1swe n ASP 36 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1swe n ASP 36 Cb 0.71 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 1.30 1.03 3.95 6.12 0.00 -1.19 -4.97 105.19 111.44 1swe n GLY 37 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.94 -0.12 4.61 0.00 -1.26 -1.75 121.76 125.18 1swe s ALA 38 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1swe s ALA 38 Cb 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1swe s ALA 38 CO 0.00 0.40 -0.19 -0.51 0.00 0.00 0.00 175.76 175.46 1swe s LEU 39 N -3.55 1.93 0.03 0.00 1.02 -0.36 0.19 118.68 117.93 1swe s LEU 39 Ca 0.35 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.00 1swe s LEU 39 Cb -0.10 -1.27 -0.02 0.00 0.02 0.00 0.00 46.19 44.82 1swe s LEU 39 CO 0.29 0.06 -0.06 0.42 0.02 0.00 0.00 176.35 177.09 1swe s THR 40 N 0.81 0.35 -3.61 5.49 -4.23 0.14 -1.49 115.64 113.10 1swe s THR 40 Ca -0.09 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1swe s THR 40 Cb -0.16 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1swe s THR 40 CO 0.00 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1swe n GLY 41 N 1.68 -0.52 3.17 3.99 0.00 -1.15 -0.43 105.19 111.93 1swe n GLY 41 Ca -0.22 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1swe n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swe s THR 42 N -3.00 1.03 -0.03 2.61 -4.23 -0.42 -1.28 115.64 110.32 1swe s THR 42 Ca 0.00 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1swe s THR 42 Cb 0.00 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1swe s THR 42 CO 0.00 -0.36 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.13 1swe s TYR 43 N -1.71 1.25 -0.10 3.99 6.14 1.00 -1.31 117.35 126.60 1swe s TYR 43 Ca 0.00 -0.34 0.00 0.00 0.64 0.00 0.00 57.07 57.38 1swe s TYR 43 Cb -0.07 -0.87 0.02 0.00 0.42 0.00 0.00 41.96 41.46 1swe s TYR 43 CO 0.02 -0.13 -0.09 -2.00 0.64 0.00 0.00 175.55 173.98 1swe s GLU 44 N 0.14 1.64 -0.08 4.97 2.12 0.36 -0.39 118.70 127.45 1swe s GLU 44 Ca -0.04 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 1swe s GLU 44 Cb -0.10 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 1swe s GLU 44 CO 0.01 -0.18 0.05 0.45 -0.54 0.00 0.00 175.26 175.05 1swe s SER 45 N 1.39 5.61 0.19 -1.70 0.15 -1.26 0.09 113.70 118.16 1swe s SER 45 Ca -0.01 0.23 0.23 0.00 0.70 0.00 0.00 55.95 57.10 1swe s SER 45 Cb -0.13 -1.65 0.19 0.00 -1.71 0.00 0.00 66.02 62.71 1swe s SER 45 CO -0.05 0.37 1.22 0.00 1.20 0.00 0.00 173.24 175.98 1swe h ALA 46 N 4.92 0.59 -2.23 5.45 0.00 -1.84 -3.45 119.26 122.71 1swe h ALA 46 Ca -0.52 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 53.94 1swe h ALA 46 Cb 1.20 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1swe h ALA 46 CO 0.57 0.00 -0.73 0.14 0.00 0.00 0.00 179.25 179.22 1swe s VAL 47 N -3.26 1.74 0.00 0.00 -7.23 -1.26 -5.06 120.40 105.32 1swe s VAL 47 Ca 0.03 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1swe s VAL 47 Cb 0.11 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1swe s VAL 47 CO 0.75 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1swe n GLY 48 N -0.37 -1.25 2.68 2.32 0.00 -1.26 -4.60 105.19 102.71 1swe n GLY 48 Ca -0.08 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.37 4.45 -3.54 1.61 5.15 -1.26 -4.82 115.26 116.48 1swe n ASN 49 Ca 0.00 -2.81 -0.16 0.00 -0.60 0.00 0.00 54.58 51.01 1swe n ASN 49 Cb 0.00 -1.64 -0.06 0.00 -0.53 0.00 0.00 39.78 37.55 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 3.09 -1.80 -0.13 5.20 0.00 -1.26 -4.52 121.76 122.33 1swe s ALA 50 Ca 0.50 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 1swe s ALA 50 Cb 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1swe s ALA 50 CO -0.08 -0.36 0.38 -1.83 0.00 0.00 0.00 175.76 173.87 1swe s GLU 51 N -1.09 0.47 2.36 0.00 -1.05 -1.26 -4.91 118.70 113.23 1swe s GLU 51 Ca -0.09 0.46 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 1swe s GLU 51 Cb -0.00 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1swe s GLU 51 CO 0.08 -0.07 0.00 0.45 0.95 0.00 0.00 175.26 176.67 1swe n SER 52 N 2.71 -3.28 -4.85 0.83 2.88 -1.26 -4.82 113.62 105.83 1swe n SER 52 Ca -0.14 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.05 1swe n SER 52 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 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 3.87 0.05 -1.46 0.52 -1.26 -4.48 118.95 116.19 1swe s ARG 53 Ca 0.00 0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.59 1swe s ARG 53 Cb 0.00 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1swe s ARG 53 CO 0.00 0.52 -0.13 0.71 0.02 0.00 0.00 175.30 176.42 1swe s TYR 54 N -1.42 1.15 0.29 -0.53 1.51 0.47 -4.88 117.35 113.95 1swe s TYR 54 Ca 0.35 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.71 1swe s TYR 54 Cb -0.15 -0.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.94 1swe s TYR 54 CO 0.18 0.03 1.25 0.08 -1.11 0.00 0.00 175.55 175.99 1swe s VAL 55 N -1.07 3.02 0.20 0.71 1.01 -1.26 -0.00 120.40 123.01 1swe s VAL 55 Ca -0.01 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.04 1swe s VAL 55 Cb -0.09 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1swe s VAL 55 CO 0.02 0.22 -0.16 -1.48 0.00 0.00 0.00 175.10 173.69 1swe s LEU 56 N -1.37 2.52 -0.08 3.92 0.05 -0.40 -4.39 118.68 118.93 1swe s LEU 56 Ca 0.49 -0.97 -0.14 0.00 0.05 0.00 0.00 54.13 53.57 1swe s LEU 56 Cb -0.37 -0.78 0.03 0.00 -2.05 0.00 0.00 46.19 43.02 1swe s LEU 56 CO 0.47 -0.10 0.34 0.28 -0.55 0.00 0.00 176.35 176.79 1swe s THR 57 N -2.61 0.03 0.17 5.48 -1.32 -1.14 -2.93 115.64 113.32 1swe s THR 57 Ca 0.21 -0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1swe s THR 57 Cb -0.03 -0.55 0.02 0.00 -1.51 0.00 0.00 72.50 70.43 1swe s THR 57 CO 0.08 -0.12 0.32 0.61 -2.21 0.00 0.00 174.62 173.30 1swe n GLY 58 N 2.14 1.75 3.20 6.08 0.00 -0.56 -1.45 105.19 116.36 1swe n GLY 58 Ca -0.17 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.09 0.91 0.14 1.61 1.81 -0.90 -1.23 118.95 119.20 1swe s ARG 59 Ca 0.08 -1.24 -0.11 0.00 -1.72 0.00 0.00 55.73 52.74 1swe s ARG 59 Cb -0.02 -0.57 0.00 0.00 -0.45 0.00 0.00 34.95 33.92 1swe s ARG 59 CO 0.06 0.08 0.30 1.52 -0.68 0.00 0.00 175.30 176.58 1swe s TYR 60 N -2.68 0.20 -0.32 -0.53 1.13 -0.72 -2.04 117.35 112.38 1swe s TYR 60 Ca 0.09 -0.58 -0.29 0.00 -1.41 0.00 0.00 57.07 54.88 1swe s TYR 60 Cb -0.01 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1swe s TYR 60 CO 0.00 -0.70 1.37 0.34 -2.51 0.00 0.00 175.55 174.05 1swe s ASP 61 N -2.91 6.54 0.01 -0.18 -1.08 -0.71 -4.68 116.67 113.67 1swe s ASP 61 Ca 0.11 1.14 0.27 0.00 -0.52 0.00 0.00 52.55 53.55 1swe s ASP 61 Cb 0.03 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.82 1swe s ASP 61 CO -0.05 -1.20 1.68 -1.54 0.52 0.00 0.00 175.17 174.58 1swe n SER 62 N 8.06 0.27 -3.22 -0.34 3.41 -1.26 -4.19 113.62 116.35 1swe n SER 62 Ca 0.16 0.16 -0.24 0.00 -0.26 0.00 0.00 58.87 58.69 1swe n SER 62 Cb 0.47 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.52 2.85 -0.78 7.33 0.00 -1.26 -5.05 120.51 122.08 1swe n ALA 63 Ca 0.06 -3.78 -0.29 0.00 0.00 0.00 0.00 53.44 49.44 1swe n ALA 63 Cb 0.34 -0.84 0.23 0.00 0.00 0.00 0.00 19.45 19.18 1swe n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swe s PRO 64 N -1.84 -0.78 0.34 0.00 0.04 -1.26 -5.00 135.00 126.50 1swe s PRO 64 Ca 0.38 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 1swe s PRO 64 Cb 0.21 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 33.05 1swe s PRO 64 CO -0.09 -3.56 0.95 0.00 0.04 0.00 0.00 177.00 174.34 1swe s ALA 65 N -2.65 3.18 -0.37 8.56 0.00 -1.26 -4.96 121.76 124.26 1swe s ALA 65 Ca 0.68 0.51 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1swe s ALA 65 Cb -0.21 -3.18 0.64 0.00 0.00 0.00 0.00 23.12 20.38 1swe s ALA 65 CO 0.61 0.16 1.77 0.25 0.00 0.00 0.00 175.76 178.55 1swe n THR 66 N 0.36 2.95 -0.48 0.00 -2.24 -1.26 -4.35 114.28 109.26 1swe n THR 66 Ca 0.03 -2.05 0.08 0.00 -2.27 0.00 0.00 64.05 59.84 1swe n THR 66 Cb 0.51 -0.40 0.27 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.88 3.87 0.00 3.42 5.68 -1.26 -4.94 116.55 122.45 1swe n ASP 67 Ca 0.47 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1swe n ASP 67 Cb 1.42 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.79 0.79 3.75 6.12 0.00 -1.26 -5.07 105.19 110.31 1swe n GLY 68 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.94 5.02 0.78 1.61 0.01 -1.26 -5.04 113.70 111.88 1swe s SER 69 Ca 0.00 2.27 -0.07 0.00 1.31 0.00 0.00 55.95 59.46 1swe s SER 69 Cb 0.00 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.76 1swe s SER 69 CO 0.00 -1.70 1.09 -0.83 0.41 0.00 0.00 173.24 172.21 1swe s GLY 70 N -1.93 1.74 -0.30 3.44 0.00 -1.26 -4.80 107.32 104.21 1swe s GLY 70 Ca 0.74 -1.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 1swe s GLY 70 CO 0.37 -0.69 0.40 -1.59 0.00 0.00 0.00 173.10 171.59 1swe s THR 71 N -3.39 5.14 0.26 0.90 2.01 -0.90 -4.81 115.64 114.85 1swe s THR 71 Ca 0.66 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 1swe s THR 71 Cb -0.07 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1swe s THR 71 CO 0.47 0.04 1.25 0.00 -0.69 0.00 0.00 174.62 175.69 1swe s ALA 72 N 2.13 3.48 0.26 7.40 0.00 -1.26 -1.41 121.76 132.36 1swe s ALA 72 Ca 0.15 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 1swe s ALA 72 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1swe s ALA 72 CO 0.11 -0.47 0.44 -0.48 0.00 0.00 0.00 175.76 175.36 1swe s LEU 73 N -1.04 0.52 -0.09 0.00 0.05 -0.81 -1.73 118.68 115.57 1swe s LEU 73 Ca 0.51 -1.08 -0.30 0.00 0.05 0.00 0.00 54.13 53.31 1swe s LEU 73 Cb -0.36 1.58 0.11 0.00 -2.05 0.00 0.00 46.19 45.47 1swe s LEU 73 CO 0.44 -1.14 0.90 -0.83 -0.55 0.00 0.00 176.35 175.17 1swe s GLY 74 N -3.07 -0.39 0.22 -3.48 0.00 -0.87 -2.31 107.32 97.42 1swe s GLY 74 Ca 0.26 1.57 -0.16 0.00 0.00 0.00 0.00 44.72 46.39 1swe s GLY 74 CO 0.11 0.79 0.51 0.66 0.00 0.00 0.00 173.10 175.18 1swe s TRP 75 N -1.77 0.06 -0.01 1.90 -2.14 0.02 -2.13 118.94 114.87 1swe s TRP 75 Ca -0.01 -0.43 0.04 0.00 2.66 0.00 0.00 56.10 58.36 1swe s TRP 75 Cb -0.01 0.33 -0.01 0.00 -3.10 0.00 0.00 33.47 30.68 1swe s TRP 75 CO -0.00 -0.96 -0.15 0.99 -2.66 0.00 0.00 176.95 174.17 1swe s THR 76 N -3.93 1.16 -0.09 0.66 2.01 -0.53 -0.26 115.64 114.66 1swe s THR 76 Ca 0.14 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1swe s THR 76 Cb -0.01 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1swe s THR 76 CO 0.02 0.33 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.43 1swe s VAL 77 N -0.31 1.51 -0.34 3.82 1.01 0.96 -2.87 120.40 124.18 1swe s VAL 77 Ca 0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1swe s VAL 77 Cb -0.06 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1swe s VAL 77 CO -0.00 0.44 0.40 0.00 0.00 0.00 0.00 175.10 175.93 1swe s ALA 78 N 0.75 3.49 -1.03 5.51 0.00 -1.26 0.25 121.76 129.47 1swe s ALA 78 Ca -0.12 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1swe s ALA 78 Cb -0.16 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1swe s ALA 78 CO 0.02 -1.11 2.19 0.91 0.00 0.00 0.00 175.76 177.77 1swe n TRP 79 N 5.46 1.86 -3.76 0.00 7.02 0.19 -4.73 117.44 123.48 1swe n TRP 79 Ca -0.08 -2.18 -0.20 0.00 -1.02 0.00 0.00 57.50 54.02 1swe n TRP 79 Cb 0.49 -1.88 -0.17 0.00 -2.42 0.00 0.00 31.31 27.32 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 3.64 0.18 0.00 -0.99 2.36 -1.26 -1.77 119.74 121.90 1swe s LYS 80 Ca 0.49 0.22 0.00 0.00 -2.55 0.00 0.00 55.97 54.14 1swe s LYS 80 Cb 0.13 -0.60 0.00 0.00 -1.05 0.00 0.00 37.83 36.31 1swe s LYS 80 CO -0.00 -0.26 0.00 0.27 1.55 0.00 0.00 175.35 176.90 1swe n ASN 81 N 4.89 0.26 0.00 1.43 0.23 -0.74 -4.81 115.26 116.53 1swe n ASN 81 Ca -0.12 -0.42 0.09 0.00 -0.53 0.00 0.00 54.58 53.60 1swe n ASN 81 Cb 0.50 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.59 1swe n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swe n ASN 82 N -1.14 0.00 -0.07 0.53 3.02 -1.26 -3.92 115.26 112.42 1swe n ASN 82 Ca 0.00 0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 54.91 1swe n ASN 82 Cb 0.00 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 1swe n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swe n TYR 83 N -1.48 0.00 -4.06 3.10 4.01 -1.26 -5.07 117.16 112.41 1swe n TYR 83 Ca 0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.68 1swe n TYR 83 Cb 0.20 -0.56 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.29 1.58 -0.09 -0.72 1.70 -1.25 -5.08 118.95 112.80 1swe s ARG 84 Ca -0.17 -1.45 -0.03 0.00 -0.47 0.00 0.00 55.73 53.61 1swe s ARG 84 Cb 0.05 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.90 1swe s ARG 84 CO 0.36 -0.64 0.13 1.21 -1.08 0.00 0.00 175.30 175.28 1swe s ASN 85 N -3.10 1.03 0.00 -2.89 2.47 -1.26 -1.79 114.94 109.40 1swe s ASN 85 Ca 0.27 0.15 0.24 0.00 0.42 0.00 0.00 52.86 53.95 1swe s ASN 85 Cb 0.01 0.13 0.38 0.00 -1.45 0.00 0.00 41.25 40.31 1swe s ASN 85 CO 0.12 -0.26 1.32 0.00 -3.72 0.00 0.00 177.10 174.57 1swe n ALA 86 N 5.31 3.48 -3.52 1.71 0.00 -0.73 -4.98 120.51 121.78 1swe n ALA 86 Ca -0.04 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1swe n ALA 86 Cb 0.50 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.66 -2.12 -3.52 0.00 -0.00 -1.26 -4.87 115.22 102.80 1swe n HIS 87 Ca 0.09 0.70 -0.12 0.00 -0.00 0.00 0.00 57.72 58.39 1swe n HIS 87 Cb 0.38 -3.95 -0.03 0.00 -0.00 0.00 0.00 29.99 26.38 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 -3.67 -0.44 0.00 0.41 1.04 -1.26 -1.09 113.70 108.70 1swe s SER 88 Ca 0.35 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1swe s SER 88 Cb -0.09 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 1swe s SER 88 CO 0.80 -0.89 -0.01 0.00 0.98 0.00 0.00 173.24 174.13 1swe s ALA 89 N -3.55 0.05 -0.05 5.32 0.00 -0.65 -0.64 121.76 122.24 1swe s ALA 89 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1swe s ALA 89 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1swe s ALA 89 CO -0.11 -0.01 -0.23 0.99 0.00 0.00 0.00 175.76 176.41 1swe s THR 90 N -0.15 2.27 -0.07 0.00 2.01 0.14 -1.06 115.64 118.78 1swe s THR 90 Ca -0.01 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1swe s THR 90 Cb -0.01 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1swe s THR 90 CO -0.00 0.57 -0.18 0.42 -0.69 0.00 0.00 174.62 174.74 1swe s THR 91 N -0.31 2.71 -0.13 -0.82 -4.23 -0.83 -0.03 115.64 112.01 1swe s THR 91 Ca 0.01 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1swe s THR 91 Cb -0.13 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1swe s THR 91 CO 0.02 0.57 -0.11 0.26 -0.54 0.00 0.00 174.62 174.82 1swe s TRP 92 N -0.27 2.86 -0.10 3.99 0.51 0.64 -2.09 118.94 124.47 1swe s TRP 92 Ca 0.01 -0.53 0.00 0.00 -2.12 0.00 0.00 56.10 53.47 1swe s TRP 92 Cb -0.13 -1.86 0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1swe s TRP 92 CO 0.03 -0.14 -0.10 0.45 -0.51 0.00 0.00 176.95 176.68 1swe s SER 93 N 0.29 2.14 0.00 2.95 0.15 -0.65 -0.80 113.70 117.78 1swe s SER 93 Ca -0.08 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1swe s SER 93 Cb -0.15 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 1swe s SER 93 CO 0.05 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1swe n GLY 94 N 4.61 1.32 3.17 9.45 0.00 -0.98 -0.98 105.19 121.80 1swe n GLY 94 Ca -0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 1.87 0.60 -0.18 1.61 -2.07 -0.45 -1.93 119.66 119.10 1swe s GLN 95 Ca 0.00 -0.36 -0.25 0.00 -1.82 0.00 0.00 55.36 52.93 1swe s GLN 95 Cb 0.00 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 1swe s GLN 95 CO 0.00 -0.16 0.82 -0.47 -1.32 0.00 0.00 175.29 174.16 1swe s TYR 96 N -1.59 3.40 -0.35 9.60 5.04 -0.50 -1.20 117.35 131.75 1swe s TYR 96 Ca -0.13 1.22 -0.10 0.00 -2.44 0.00 0.00 57.07 55.63 1swe s TYR 96 Cb -0.05 -3.01 0.02 0.00 0.35 0.00 0.00 41.96 39.27 1swe s TYR 96 CO 0.02 -0.26 0.17 0.08 -1.34 0.00 0.00 175.55 174.21 1swe s VAL 97 N 2.25 4.37 0.42 3.14 1.01 0.12 -2.12 120.40 129.58 1swe s VAL 97 Ca 0.37 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1swe s VAL 97 Cb -0.16 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1swe s VAL 97 CO 0.11 -0.16 0.76 -0.83 0.00 0.00 0.00 175.10 174.99 1swe s GLY 98 N 1.53 1.84 0.00 4.51 0.00 -1.26 -2.29 107.32 111.64 1swe s GLY 98 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1swe s GLY 98 CO 0.05 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.66 1swe n GLY 99 N -1.51 0.87 0.02 0.20 0.00 -1.26 -4.89 105.19 98.61 1swe n GLY 99 Ca 0.02 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.05 1swe n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swe n ALA 100 N -1.00 -0.02 -3.54 4.61 0.00 -1.26 -3.00 120.51 116.30 1swe n ALA 100 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1swe n ALA 100 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1swe n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swe s GLU 101 N -3.13 2.98 0.18 0.00 -6.30 -1.26 -5.05 118.70 106.11 1swe s GLU 101 Ca -0.00 -2.40 -0.31 0.00 -2.50 0.00 0.00 54.97 49.75 1swe s GLU 101 Cb 0.00 -4.04 -0.10 0.00 0.00 0.00 0.00 34.13 29.99 1swe s GLU 101 CO 0.02 -1.23 1.56 0.00 0.02 0.00 0.00 175.26 175.63 1swe s ALA 102 N 0.23 3.76 0.03 6.30 0.00 -1.16 -4.91 121.76 126.01 1swe s ALA 102 Ca 0.16 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1swe s ALA 102 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1swe s ALA 102 CO -0.05 -0.78 0.02 -0.98 0.00 0.00 0.00 175.76 173.96 1swe s ARG 103 N 0.94 0.46 -0.26 0.00 1.04 -0.97 -4.26 118.95 115.90 1swe s ARG 103 Ca 0.69 -0.76 -0.06 0.00 -1.04 0.00 0.00 55.73 54.56 1swe s ARG 103 Cb -0.44 0.17 -0.00 0.00 -2.04 0.00 0.00 34.95 32.64 1swe s ARG 103 CO 0.33 -0.09 0.04 0.42 -0.04 0.00 0.00 175.30 175.95 1swe s ILE 104 N -2.29 3.82 -0.23 4.99 1.01 -0.12 -0.70 121.20 127.68 1swe s ILE 104 Ca -0.08 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1swe s ILE 104 Cb -0.04 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1swe s ILE 104 CO -0.04 0.24 0.14 0.20 0.00 0.00 0.00 174.94 175.48 1swe s ASN 105 N 1.51 6.08 0.14 3.58 0.01 -0.34 -1.51 114.94 124.40 1swe s ASN 105 Ca 0.04 0.13 0.05 0.00 -0.71 0.00 0.00 52.86 52.37 1swe s ASN 105 Cb -0.16 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1swe s ASN 105 CO 0.01 0.10 -0.12 0.42 -1.51 0.00 0.00 177.10 175.99 1swe s THR 106 N 0.87 1.27 0.14 1.60 -4.23 -0.89 -1.34 115.64 113.06 1swe s THR 106 Ca 0.07 -1.91 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1swe s THR 106 Cb -0.13 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1swe s THR 106 CO 0.03 -0.59 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.21 1swe s GLN 107 N -3.23 1.66 0.05 3.99 -0.21 -0.15 -2.65 119.66 119.12 1swe s GLN 107 Ca 0.13 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1swe s GLN 107 Cb -0.01 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1swe s GLN 107 CO 0.02 0.46 -0.06 1.67 -2.12 0.00 0.00 175.29 175.26 1swe s TRP 108 N -1.24 0.60 -0.18 0.91 1.48 0.52 -1.63 118.94 119.40 1swe s TRP 108 Ca 0.18 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 54.57 1swe s TRP 108 Cb -0.10 -0.37 0.02 0.00 -1.16 0.00 0.00 33.47 31.86 1swe s TRP 108 CO 0.09 -0.16 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.12 1swe s LEU 109 N -2.01 2.17 -0.29 -4.66 1.43 -0.89 -2.23 118.68 112.19 1swe s LEU 109 Ca -0.05 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1swe s LEU 109 Cb -0.05 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.72 1swe s LEU 109 CO -0.02 0.01 0.02 -0.22 0.23 0.00 0.00 176.35 176.36 1swe s LEU 110 N 1.23 3.79 -0.18 1.79 2.96 0.46 -1.96 118.68 126.77 1swe s LEU 110 Ca 0.03 -1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 52.83 1swe s LEU 110 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1swe s LEU 110 CO -0.11 -0.23 0.01 -0.89 -1.32 0.00 0.00 176.35 173.81 1swe s THR 111 N 1.34 4.18 -0.03 3.68 2.01 -0.23 -1.74 115.64 124.85 1swe s THR 111 Ca -0.02 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1swe s THR 111 Cb -0.19 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1swe s THR 111 CO -0.01 0.46 0.14 -0.44 -0.69 0.00 0.00 174.62 174.08 1swe s SER 112 N 0.59 6.16 0.12 3.53 0.01 -0.22 -1.64 113.70 122.24 1swe s SER 112 Ca -0.00 0.31 -0.31 0.00 1.31 0.00 0.00 55.95 57.26 1swe s SER 112 Cb -0.14 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 64.12 1swe s SER 112 CO 0.02 0.30 1.34 -0.83 0.41 0.00 0.00 173.24 174.48 1swe s GLY 113 N -1.69 2.12 0.20 3.44 0.00 -0.25 -4.84 107.32 106.30 1swe s GLY 113 Ca 0.23 1.07 0.03 0.00 0.00 0.00 0.00 44.72 46.05 1swe s GLY 113 CO 0.14 2.25 -0.01 -0.51 0.00 0.00 0.00 173.10 174.97 1swe s THR 114 N 0.95 0.89 0.97 0.90 -4.23 -1.26 -5.02 115.64 108.84 1swe s THR 114 Ca 0.62 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1swe s THR 114 Cb -0.35 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.44 1swe s THR 114 CO 0.31 -0.41 1.10 0.42 -0.54 0.00 0.00 174.62 175.50 1swe s THR 115 N -3.52 2.16 0.30 3.99 -4.23 -1.26 -4.87 115.64 108.21 1swe s THR 115 Ca 0.26 0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1swe s THR 115 Cb 0.06 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.58 1swe s THR 115 CO 0.06 -0.07 1.94 -0.33 -0.54 0.00 0.00 174.62 175.68 1swe h GLU 116 N -1.78 1.02 -0.70 3.99 3.07 -2.01 -2.34 114.58 115.83 1swe h GLU 116 Ca -0.53 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.36 1swe h GLU 116 Cb 1.32 -0.23 -0.07 0.00 -0.84 0.00 0.00 28.75 28.93 1swe h GLU 116 CO 0.58 0.67 0.34 0.00 -1.40 0.00 0.00 179.01 179.20 1swe h ALA 117 N 1.50 0.95 -0.49 3.43 0.00 -2.06 -3.14 119.26 119.46 1swe h ALA 117 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1swe h ALA 117 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1swe h ALA 117 CO -0.11 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1swe n ASN 118 N -4.87 3.64 -0.06 0.00 3.02 -0.90 -4.48 115.26 111.61 1swe n ASN 118 Ca 0.11 -2.00 0.07 0.00 -0.03 0.00 0.00 54.58 52.73 1swe n ASN 118 Cb 0.27 -0.32 0.45 0.00 -0.61 0.00 0.00 39.78 39.56 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 4.49 1.83 -0.11 5.41 0.00 -1.46 0.24 119.26 129.66 1swe h ALA 119 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1swe h ALA 119 Cb 1.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1swe h ALA 119 CO 0.00 0.09 0.11 0.11 0.00 0.00 0.00 179.25 179.56 1swe h TRP 120 N 0.52 0.00 -0.55 0.00 5.08 -1.83 -2.56 115.95 116.61 1swe h TRP 120 Ca 0.22 0.00 -0.38 0.00 1.08 0.00 0.00 58.89 59.81 1swe h TRP 120 Cb 0.22 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 26.11 1swe h TRP 120 CO -0.00 0.00 -0.43 0.36 -1.28 0.00 0.00 178.44 177.09 1swe n LYS 121 N -3.97 2.77 0.15 0.12 2.85 0.84 -4.76 118.16 116.15 1swe n LYS 121 Ca -0.00 -3.71 0.12 0.00 -1.05 0.00 0.00 58.31 53.66 1swe n LYS 121 Cb 0.22 -2.06 0.12 0.00 -0.65 0.00 0.00 35.03 32.65 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 1.70 0.00 -3.29 -5.58 4.64 -1.40 -3.47 113.55 106.15 1swe h SER 122 Ca 0.30 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 61.07 1swe h SER 122 Cb 1.38 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.09 1swe h SER 122 CO 0.63 0.01 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.93 1swe s THR 123 N -3.26 0.90 0.10 2.95 2.01 -1.26 -1.06 115.64 116.02 1swe s THR 123 Ca 0.04 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 1swe s THR 123 Cb 0.08 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1swe s THR 123 CO 0.72 0.12 0.57 -0.76 -0.69 0.00 0.00 174.62 174.58 1swe s LEU 124 N 1.73 4.47 0.03 4.42 1.43 -0.71 -4.91 118.68 125.13 1swe s LEU 124 Ca 0.02 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1swe s LEU 124 Cb -0.15 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1swe s LEU 124 CO -0.07 0.22 -0.26 0.54 0.23 0.00 0.00 176.35 177.01 1swe s VAL 125 N -1.22 2.10 0.05 -1.59 0.11 -1.26 -0.40 120.40 118.18 1swe s VAL 125 Ca 0.32 -1.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.01 1swe s VAL 125 Cb -0.18 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 1swe s VAL 125 CO 0.19 0.42 0.25 0.61 -3.33 0.00 0.00 175.10 173.25 1swe n GLY 126 N 1.97 1.16 3.03 6.54 0.00 -0.95 -5.01 105.19 111.94 1swe n GLY 126 Ca -0.17 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -5.17 -0.20 -0.01 1.61 -3.43 -1.26 -0.35 115.29 106.46 1swe s HIS 127 Ca 0.06 0.51 0.05 0.00 -0.80 0.00 0.00 55.06 54.88 1swe s HIS 127 Cb -0.01 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.17 1swe s HIS 127 CO 0.01 -0.12 -0.16 -0.51 -2.00 0.00 0.00 174.74 171.96 1swe s ASP 128 N 0.45 1.89 -0.18 7.38 1.01 -1.09 -4.99 116.67 121.14 1swe s ASP 128 Ca -0.03 -0.29 -0.01 0.00 0.71 0.00 0.00 52.55 52.93 1swe s ASP 128 Cb -0.04 -0.24 -0.00 0.00 1.01 0.00 0.00 42.92 43.65 1swe s ASP 128 CO -0.02 0.19 -0.12 -0.89 0.21 0.00 0.00 175.17 174.54 1swe s THR 129 N -0.34 2.87 -0.15 -1.27 2.01 -1.26 -2.09 115.64 115.41 1swe s THR 129 Ca 0.05 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 1swe s THR 129 Cb -0.07 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1swe s THR 129 CO -0.00 0.49 0.03 -0.36 -0.69 0.00 0.00 174.62 174.09 1swe s PHE 130 N 1.03 3.21 0.33 4.92 0.40 -0.57 -3.20 117.98 124.10 1swe s PHE 130 Ca -0.01 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1swe s PHE 130 Cb -0.15 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.35 1swe s PHE 130 CO -0.02 0.24 0.06 0.95 0.70 0.00 0.00 175.22 177.15 1swe s THR 131 N -0.05 1.13 -1.17 0.64 -4.23 0.12 -0.94 115.64 111.15 1swe s THR 131 Ca 0.05 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.82 1swe s THR 131 Cb -0.12 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 71.05 1swe s THR 131 CO 0.01 0.00 1.51 0.29 -0.54 0.00 0.00 174.62 175.90 1swe n LYS 132 N -0.69 0.18 0.00 3.99 5.02 -1.26 0.26 118.16 125.67 1swe n LYS 132 Ca -0.02 -0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1swe n LYS 132 Cb 0.67 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.34 1swe n LYS 132 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43