#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swe n ILE 17 N 0.00 1.69 -1.68 -0.61 5.41 -1.26 -4.92 119.36 118.00 1swe n ILE 17 Ca 0.00 -0.72 -0.44 0.00 1.00 0.00 0.00 62.75 62.59 1swe n ILE 17 Cb 0.00 -1.38 -0.02 0.00 -0.71 0.00 0.00 39.64 37.53 1swe n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1swe n THR 18 N -3.26 1.51 0.00 1.39 -1.04 -1.26 -4.78 114.28 106.84 1swe n THR 18 Ca -0.25 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 1swe n THR 18 Cb 1.05 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 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 1.45 0.70 3.64 3.41 0.00 -0.67 -5.01 105.19 108.70 1swe n GLY 19 Ca 0.08 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.29 4.62 0.05 2.61 2.01 -1.26 -2.25 115.64 120.12 1swe s THR 20 Ca 0.00 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1swe s THR 20 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1swe s THR 20 CO 0.00 0.50 -0.10 0.26 -0.69 0.00 0.00 174.62 174.59 1swe s TRP 21 N 0.08 0.89 -0.03 4.92 0.52 0.22 -4.70 118.94 120.84 1swe s TRP 21 Ca 0.04 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 55.78 1swe s TRP 21 Cb -0.12 -0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 31.66 1swe s TRP 21 CO 0.01 -0.02 -0.20 0.71 0.02 0.00 0.00 176.95 177.47 1swe s TYR 22 N -1.17 1.88 0.44 -1.98 2.02 -0.50 -1.20 117.35 116.84 1swe s TYR 22 Ca -0.05 -0.45 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1swe s TYR 22 Cb -0.09 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1swe s TYR 22 CO 0.01 -0.10 0.34 0.54 -1.57 0.00 0.00 175.55 174.77 1swe s ASN 23 N -0.26 4.84 0.00 2.29 4.22 -1.15 0.41 114.94 125.29 1swe s ASN 23 Ca 0.02 -0.91 0.10 0.00 -2.14 0.00 0.00 52.86 49.94 1swe s ASN 23 Cb -0.10 -0.38 0.47 0.00 1.28 0.00 0.00 41.25 42.53 1swe s ASN 23 CO 0.01 -0.71 1.29 0.00 -2.04 0.00 0.00 177.10 175.64 1swe n GLN 24 N -1.52 0.06 0.00 3.55 0.00 -1.20 -0.70 117.38 117.56 1swe n GLN 24 Ca 0.02 0.27 0.11 0.00 0.00 0.00 0.00 57.00 57.40 1swe n GLN 24 Cb 0.63 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.41 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 -1.42 1.96 0.00 2.61 4.77 -1.26 -4.94 117.00 118.73 1swe n LEU 25 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1swe n LEU 25 Cb 0.11 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1swe n LEU 25 CO 0.09 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1swe n GLY 26 N 1.41 0.44 3.78 -0.72 0.00 0.12 -4.62 105.19 105.60 1swe n GLY 26 Ca 0.10 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.63 4.53 -0.05 1.61 0.01 -1.26 -4.51 113.70 111.40 1swe s SER 27 Ca 0.00 1.60 0.06 0.00 1.31 0.00 0.00 55.95 58.92 1swe s SER 27 Cb 0.00 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 1swe s SER 27 CO 0.00 -1.99 -0.23 -0.89 0.41 0.00 0.00 173.24 170.54 1swe s THR 28 N -3.00 1.90 -0.15 1.44 2.01 0.23 -2.93 115.64 115.15 1swe s THR 28 Ca 0.61 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1swe s THR 28 Cb -0.16 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.77 1swe s THR 28 CO 0.56 0.53 -0.13 0.12 -0.69 0.00 0.00 174.62 175.01 1swe s PHE 29 N -0.13 2.10 -0.25 4.92 5.36 -0.34 0.16 117.98 129.80 1swe s PHE 29 Ca -0.03 -1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 54.74 1swe s PHE 29 Cb -0.13 -1.55 0.07 0.00 -0.34 0.00 0.00 43.02 41.07 1swe s PHE 29 CO 0.03 -0.66 0.02 0.42 -1.46 0.00 0.00 175.22 173.58 1swe s ILE 30 N 1.51 1.07 0.16 3.12 1.01 -0.99 0.73 121.20 127.80 1swe s ILE 30 Ca 0.04 -1.11 0.10 0.00 0.00 0.00 0.00 60.65 59.69 1swe s ILE 30 Cb -0.13 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1swe s ILE 30 CO -0.10 -0.32 -0.24 -0.69 0.00 0.00 0.00 174.94 173.60 1swe s VAL 31 N 1.58 2.15 -0.03 2.92 1.01 -0.95 -0.89 120.40 126.19 1swe s VAL 31 Ca 0.01 -1.86 0.03 0.00 0.00 0.00 0.00 61.98 60.16 1swe s VAL 31 Cb -0.18 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1swe s VAL 31 CO -0.12 -0.07 -0.12 -0.89 0.00 0.00 0.00 175.10 173.90 1swe s THR 32 N -1.46 1.04 -0.36 3.92 2.01 0.15 -1.67 115.64 119.28 1swe s THR 32 Ca 0.16 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 1swe s THR 32 Cb -0.09 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1swe s THR 32 CO 0.07 0.31 0.25 0.00 -0.69 0.00 0.00 174.62 174.57 1swe s ALA 33 N 0.12 3.48 0.61 7.40 0.00 -1.26 -1.90 121.76 130.21 1swe s ALA 33 Ca -0.03 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 1swe s ALA 33 Cb -0.10 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1swe s ALA 33 CO 0.01 -1.11 1.03 0.20 0.00 0.00 0.00 175.76 175.89 1swe s GLY 34 N 1.70 1.74 0.11 0.00 0.00 0.24 -4.92 107.32 106.19 1swe s GLY 34 Ca 0.06 -0.01 0.18 0.00 0.00 0.00 0.00 44.72 44.95 1swe s GLY 34 CO 0.10 0.27 1.57 0.00 0.00 0.00 0.00 173.10 175.04 1swe n ALA 35 N -2.60 1.66 -0.10 3.20 0.00 -1.26 -2.11 120.51 119.30 1swe n ALA 35 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1swe n ALA 35 Cb 0.54 -1.30 0.25 0.00 0.00 0.00 0.00 19.45 18.94 1swe n ALA 35 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1swe h ASP 36 N 0.00 0.69 0.00 0.00 3.58 -1.97 -3.48 116.42 115.24 1swe h ASP 36 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1swe h ASP 36 Cb 0.30 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1swe h ASP 36 CO 0.00 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.62 1swe n GLY 37 N -1.03 0.68 3.87 -0.78 0.00 -0.90 -4.95 105.19 102.09 1swe n GLY 37 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 3.53 -0.25 4.61 0.00 -1.25 -0.99 121.76 125.40 1swe s ALA 38 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1swe s ALA 38 Cb 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.70 1swe s ALA 38 CO 0.00 0.45 -0.06 -0.51 0.00 0.00 0.00 175.76 175.65 1swe s LEU 39 N -2.91 3.01 0.05 0.00 1.02 -1.05 0.82 118.68 119.63 1swe s LEU 39 Ca 0.48 -1.34 0.06 0.00 0.02 0.00 0.00 54.13 53.36 1swe s LEU 39 Cb -0.11 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.75 1swe s LEU 39 CO 0.21 -0.24 -0.17 0.42 0.02 0.00 0.00 176.35 176.60 1swe s THR 40 N 1.27 1.33 -2.65 5.49 -4.23 -0.80 -0.33 115.64 115.73 1swe s THR 40 Ca -0.05 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1swe s THR 40 Cb -0.19 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1swe s THR 40 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1swe n GLY 41 N 1.66 -0.64 3.24 3.99 0.00 -1.20 0.35 105.19 112.60 1swe n GLY 41 Ca -0.19 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 1.05 0.01 2.61 -4.23 -0.07 -1.70 115.64 110.32 1swe s THR 42 Ca 0.00 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1swe s THR 42 Cb 0.00 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1swe s THR 42 CO 0.00 -0.73 -0.11 -0.47 -0.54 0.00 0.00 174.62 172.77 1swe s TYR 43 N -3.40 0.93 -0.07 3.99 6.14 0.09 -2.36 117.35 122.67 1swe s TYR 43 Ca 0.17 -0.27 -0.01 0.00 0.64 0.00 0.00 57.07 57.61 1swe s TYR 43 Cb 0.03 -0.57 0.03 0.00 0.42 0.00 0.00 41.96 41.86 1swe s TYR 43 CO 0.00 -0.01 -0.02 -2.00 0.64 0.00 0.00 175.55 174.16 1swe s GLU 44 N -0.70 0.84 -0.30 4.97 2.12 0.12 -1.39 118.70 124.36 1swe s GLU 44 Ca 0.01 -0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.21 1swe s GLU 44 Cb -0.06 -1.06 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1swe s GLU 44 CO 0.00 -0.24 0.20 0.45 -0.54 0.00 0.00 175.26 175.13 1swe s SER 45 N 1.66 5.98 0.55 -1.70 0.15 -1.26 0.77 113.70 119.85 1swe s SER 45 Ca 0.01 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.75 1swe s SER 45 Cb -0.13 -2.11 1.48 0.00 -1.71 0.00 0.00 66.02 63.55 1swe s SER 45 CO -0.04 -0.11 2.11 0.00 1.20 0.00 0.00 173.24 176.40 1swe h ALA 46 N 8.40 2.01 -2.14 5.45 0.00 -1.82 -3.45 119.26 127.71 1swe h ALA 46 Ca -0.34 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.14 1swe h ALA 46 Cb 1.18 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1swe h ALA 46 CO 0.58 -0.25 -0.65 0.14 0.00 0.00 0.00 179.25 179.07 1swe s VAL 47 N -4.88 1.19 0.00 0.00 -7.23 -1.26 -5.03 120.40 103.18 1swe s VAL 47 Ca -0.05 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1swe s VAL 47 Cb 0.17 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1swe s VAL 47 CO 0.63 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 1swe n GLY 48 N -0.51 -2.04 3.28 2.32 0.00 -1.26 -4.49 105.19 102.49 1swe n GLY 48 Ca -0.04 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 0.41 4.94 -3.76 1.61 5.15 -1.26 -4.84 115.26 117.51 1swe n ASN 49 Ca 0.00 -2.97 -0.13 0.00 -0.60 0.00 0.00 54.58 50.88 1swe n ASN 49 Cb 0.00 -1.61 -0.10 0.00 -0.53 0.00 0.00 39.78 37.54 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 2.29 -0.81 -0.18 5.20 0.00 -1.26 -4.56 121.76 122.44 1swe s ALA 50 Ca 0.46 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1swe s ALA 50 Cb 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.94 1swe s ALA 50 CO 0.01 -0.20 0.37 -2.00 0.00 0.00 0.00 175.76 173.94 1swe s GLU 51 N -0.43 0.27 1.64 0.00 2.12 -1.26 -4.95 118.70 116.09 1swe s GLU 51 Ca -0.06 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1swe s GLU 51 Cb -0.04 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1swe s GLU 51 CO 0.02 -0.28 0.00 0.45 -0.54 0.00 0.00 175.26 174.91 1swe n SER 52 N 5.38 0.00 -4.80 -1.70 2.88 -1.26 -4.80 113.62 109.32 1swe n SER 52 Ca -0.08 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.08 1swe n SER 52 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 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 4.24 0.08 -1.46 3.00 -1.26 -4.37 118.95 119.19 1swe s ARG 53 Ca 0.00 0.75 0.09 0.00 0.00 0.00 0.00 55.73 56.57 1swe s ARG 53 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 34.95 31.65 1swe s ARG 53 CO 0.00 0.57 -0.24 0.71 0.00 0.00 0.00 175.30 176.34 1swe s TYR 54 N -0.89 2.11 0.25 -0.53 1.51 -0.49 -4.91 117.35 114.41 1swe s TYR 54 Ca 0.30 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 1swe s TYR 54 Cb -0.19 -1.21 -0.10 0.00 -0.11 0.00 0.00 41.96 40.35 1swe s TYR 54 CO 0.19 0.20 1.41 0.08 -1.11 0.00 0.00 175.55 176.31 1swe s VAL 55 N -0.94 2.74 0.27 0.71 1.01 -1.26 -0.73 120.40 122.19 1swe s VAL 55 Ca 0.11 0.63 0.11 0.00 0.00 0.00 0.00 61.98 62.82 1swe s VAL 55 Cb -0.10 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1swe s VAL 55 CO 0.04 0.11 -0.18 -1.48 0.00 0.00 0.00 175.10 173.58 1swe s LEU 56 N -0.52 2.59 0.01 3.92 0.05 -0.69 -4.46 118.68 119.59 1swe s LEU 56 Ca 0.58 -1.04 -0.18 0.00 0.05 0.00 0.00 54.13 53.53 1swe s LEU 56 Cb -0.41 -1.00 0.03 0.00 -2.05 0.00 0.00 46.19 42.77 1swe s LEU 56 CO 0.44 -0.03 0.39 0.28 -0.55 0.00 0.00 176.35 176.89 1swe s THR 57 N -2.62 0.05 0.00 5.48 -1.32 -0.91 -3.21 115.64 113.12 1swe s THR 57 Ca 0.29 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1swe s THR 57 Cb -0.03 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1swe s THR 57 CO 0.13 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1swe n GLY 58 N 0.84 1.92 3.13 6.08 0.00 0.55 -1.59 105.19 116.12 1swe n GLY 58 Ca -0.20 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.93 0.54 0.12 1.61 1.81 -1.09 -2.52 118.95 118.49 1swe s ARG 59 Ca 0.00 -0.45 -0.08 0.00 -1.72 0.00 0.00 55.73 53.48 1swe s ARG 59 Cb 0.00 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1swe s ARG 59 CO 0.00 -0.13 0.21 1.52 -0.68 0.00 0.00 175.30 176.22 1swe s TYR 60 N -1.65 0.30 -0.55 -0.53 1.13 -0.17 -2.01 117.35 113.89 1swe s TYR 60 Ca -0.13 -0.71 -0.28 0.00 -1.41 0.00 0.00 57.07 54.55 1swe s TYR 60 Cb -0.06 -0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.72 1swe s TYR 60 CO 0.01 -0.61 1.44 0.34 -2.51 0.00 0.00 175.55 174.22 1swe s ASP 61 N -2.92 6.09 0.00 -0.18 -1.08 -0.74 -4.56 116.67 113.29 1swe s ASP 61 Ca 0.11 0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.65 1swe s ASP 61 Cb 0.04 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.93 1swe s ASP 61 CO -0.06 -1.72 1.60 -1.54 0.52 0.00 0.00 175.17 173.96 1swe n SER 62 N 9.70 0.00 -3.08 -0.34 3.41 -1.26 -3.98 113.62 118.07 1swe n SER 62 Ca 0.13 -1.41 -0.19 0.00 -0.26 0.00 0.00 58.87 57.14 1swe n SER 62 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.76 1.43 -1.68 7.33 0.00 -1.26 -5.03 120.51 120.54 1swe n ALA 63 Ca 0.12 -2.92 -0.29 0.00 0.00 0.00 0.00 53.44 50.35 1swe n ALA 63 Cb 0.06 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.08 1.29 0.52 0.00 0.04 -1.26 -5.01 135.00 129.52 1swe s PRO 64 Ca 0.35 0.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 1swe s PRO 64 Cb 0.24 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 1swe s PRO 64 CO -0.12 -2.06 1.16 0.00 0.04 0.00 0.00 177.00 176.02 1swe s ALA 65 N -3.42 2.77 -0.34 8.56 0.00 -1.26 -4.97 121.76 123.10 1swe s ALA 65 Ca 0.64 0.91 0.09 0.00 0.00 0.00 0.00 51.96 53.60 1swe s ALA 65 Cb -0.12 -3.39 0.63 0.00 0.00 0.00 0.00 23.12 20.24 1swe s ALA 65 CO 0.52 -0.82 1.70 0.25 0.00 0.00 0.00 175.76 177.41 1swe n THR 66 N -1.08 2.84 0.90 0.00 -2.24 -1.26 -4.38 114.28 109.07 1swe n THR 66 Ca 0.11 -2.08 0.12 0.00 -2.27 0.00 0.00 64.05 59.92 1swe n THR 66 Cb 0.50 -0.37 0.19 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.79 2.87 0.00 3.42 5.68 -1.26 -4.90 116.55 121.56 1swe n ASP 67 Ca 0.42 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1swe n ASP 67 Cb 1.32 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 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 1.36 0.56 3.72 6.12 0.00 -1.26 -5.09 105.19 110.60 1swe n GLY 68 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 3.95 0.78 1.61 0.01 -1.26 -5.02 113.70 110.93 1swe s SER 69 Ca 0.00 2.15 -0.09 0.00 1.31 0.00 0.00 55.95 59.31 1swe s SER 69 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.77 1swe s SER 69 CO 0.00 -2.42 1.11 -0.83 0.41 0.00 0.00 173.24 171.51 1swe s GLY 70 N -2.60 1.69 -0.26 3.44 0.00 -1.26 -4.84 107.32 103.49 1swe s GLY 70 Ca 0.68 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 1swe s GLY 70 CO 0.51 -0.49 0.20 -1.59 0.00 0.00 0.00 173.10 171.74 1swe s THR 71 N -3.44 5.31 0.25 0.90 2.01 -0.06 -4.77 115.64 115.85 1swe s THR 71 Ca 0.64 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.61 1swe s THR 71 Cb -0.09 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1swe s THR 71 CO 0.47 0.28 0.87 0.00 -0.69 0.00 0.00 174.62 175.55 1swe s ALA 72 N 1.47 3.33 0.30 7.40 0.00 -1.26 0.17 121.76 133.17 1swe s ALA 72 Ca 0.08 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 1swe s ALA 72 Cb -0.15 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1swe s ALA 72 CO 0.08 0.24 0.78 -0.48 0.00 0.00 0.00 175.76 176.38 1swe s LEU 73 N -1.60 -0.14 0.08 0.00 0.05 -0.57 -1.79 118.68 114.71 1swe s LEU 73 Ca 0.43 -0.80 -0.26 0.00 0.05 0.00 0.00 54.13 53.55 1swe s LEU 73 Cb -0.21 2.69 0.08 0.00 -2.05 0.00 0.00 46.19 46.70 1swe s LEU 73 CO 0.26 -1.42 0.83 -0.83 -0.55 0.00 0.00 176.35 174.64 1swe s GLY 74 N -3.00 -0.44 0.19 -3.48 0.00 -0.85 -1.02 107.32 98.71 1swe s GLY 74 Ca 0.13 0.66 -0.17 0.00 0.00 0.00 0.00 44.72 45.34 1swe s GLY 74 CO 0.08 0.21 0.50 0.66 0.00 0.00 0.00 173.10 174.55 1swe s TRP 75 N -3.34 -0.10 0.04 1.90 -2.14 -0.02 -2.66 118.94 112.62 1swe s TRP 75 Ca 0.06 -0.23 0.06 0.00 2.66 0.00 0.00 56.10 58.64 1swe s TRP 75 Cb -0.01 0.36 -0.02 0.00 -3.10 0.00 0.00 33.47 30.69 1swe s TRP 75 CO -0.07 -0.89 -0.17 0.99 -2.66 0.00 0.00 176.95 174.15 1swe s THR 76 N -3.87 1.37 -0.10 0.66 2.01 -0.62 -0.20 115.64 114.87 1swe s THR 76 Ca 0.09 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1swe s THR 76 Cb -0.01 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.32 1swe s THR 76 CO -0.04 0.09 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.21 1swe s VAL 77 N -0.83 1.06 -0.20 3.82 1.01 0.04 -2.13 120.40 123.16 1swe s VAL 77 Ca 0.04 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1swe s VAL 77 Cb -0.08 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1swe s VAL 77 CO 0.02 0.37 0.41 0.00 0.00 0.00 0.00 175.10 175.90 1swe s ALA 78 N 1.50 3.55 0.00 5.51 0.00 -1.26 -0.75 121.76 130.31 1swe s ALA 78 Ca 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1swe s ALA 78 Cb -0.13 -2.65 -0.18 0.00 0.00 0.00 0.00 23.12 20.15 1swe s ALA 78 CO -0.06 -0.31 2.78 0.91 0.00 0.00 0.00 175.76 179.08 1swe n TRP 79 N 4.50 0.00 -4.27 0.00 7.02 -0.90 -4.78 117.44 119.02 1swe n TRP 79 Ca -0.08 -1.13 -0.32 0.00 -1.02 0.00 0.00 57.50 54.95 1swe n TRP 79 Cb 0.51 -1.23 -0.16 0.00 -2.42 0.00 0.00 31.31 28.01 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 1.30 2.75 0.13 -0.99 2.20 -1.26 -1.24 119.74 122.63 1swe s LYS 80 Ca 0.46 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1swe s LYS 80 Cb 0.22 -2.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1swe s LYS 80 CO 0.00 -0.15 0.13 0.27 -0.36 0.00 0.00 175.35 175.23 1swe n ASN 81 N 4.47 -0.33 0.27 1.43 0.23 0.27 -4.82 115.26 116.78 1swe n ASN 81 Ca -0.20 -1.82 0.15 0.00 -0.53 0.00 0.00 54.58 52.18 1swe n ASN 81 Cb 0.51 0.72 0.69 0.00 -2.08 0.00 0.00 39.78 39.62 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 0.79 0.00 0.09 0.53 2.35 -1.95 -3.18 115.58 114.21 1swe h ASN 82 Ca -0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 1swe h ASN 82 Cb 0.46 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1swe h ASN 82 CO 0.13 0.09 -0.55 1.88 -1.65 0.00 0.00 177.43 177.33 1swe h TYR 83 N 0.00 0.36 -3.67 1.19 -1.99 -1.95 -3.48 116.97 107.43 1swe h TYR 83 Ca -0.00 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.38 1swe h TYR 83 Cb 0.49 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 39.05 1swe h TYR 83 CO 0.00 1.21 -0.34 0.50 -0.00 0.00 0.00 178.16 179.53 1swe s ARG 84 N -2.36 0.83 -0.25 4.88 3.52 -1.20 -5.09 118.95 119.27 1swe s ARG 84 Ca -0.15 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 54.59 1swe s ARG 84 Cb -0.00 0.34 0.09 0.00 -1.56 0.00 0.00 34.95 33.81 1swe s ARG 84 CO 0.78 -0.26 0.10 1.21 -0.81 0.00 0.00 175.30 176.32 1swe s ASN 85 N -2.61 3.26 0.00 -2.12 3.84 -1.26 -0.56 114.94 115.49 1swe s ASN 85 Ca 0.02 -1.13 0.27 0.00 0.21 0.00 0.00 52.86 52.23 1swe s ASN 85 Cb 0.03 -0.43 1.20 0.00 -0.55 0.00 0.00 41.25 41.50 1swe s ASN 85 CO -0.09 -0.40 1.88 0.00 -2.79 0.00 0.00 177.10 175.71 1swe n ALA 86 N 5.18 2.26 -3.46 1.71 0.00 -0.38 -4.93 120.51 120.89 1swe n ALA 86 Ca -0.06 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1swe n ALA 86 Cb 0.44 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.46 -2.16 -3.47 0.00 8.25 -1.26 -4.86 115.22 110.25 1swe n HIS 87 Ca 0.08 0.92 -0.12 0.00 -0.26 0.00 0.00 57.72 58.34 1swe n HIS 87 Cb 0.30 -4.94 -0.03 0.00 1.12 0.00 0.00 29.99 26.44 1swe n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swe s SER 88 N -4.31 -0.49 0.01 0.41 1.04 -1.26 -1.69 113.70 107.40 1swe s SER 88 Ca 0.02 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1swe s SER 88 Cb -0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1swe s SER 88 CO 0.74 -0.93 0.01 0.00 0.98 0.00 0.00 173.24 174.04 1swe s ALA 89 N -3.66 0.00 0.02 5.32 0.00 0.87 -2.11 121.76 122.20 1swe s ALA 89 Ca 0.01 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1swe s ALA 89 Cb -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1swe s ALA 89 CO -0.12 -0.12 -0.25 0.99 0.00 0.00 0.00 175.76 176.26 1swe s THR 90 N -1.00 2.04 -0.00 0.00 2.01 0.07 -0.21 115.64 118.54 1swe s THR 90 Ca -0.11 -1.26 0.07 0.00 0.31 0.00 0.00 61.69 60.70 1swe s THR 90 Cb -0.07 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1swe s THR 90 CO -0.00 0.42 -0.22 0.42 -0.69 0.00 0.00 174.62 174.55 1swe s THR 91 N -0.73 1.70 -0.07 -0.82 -4.23 -0.78 -0.78 115.64 109.94 1swe s THR 91 Ca 0.11 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1swe s THR 91 Cb -0.10 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1swe s THR 91 CO 0.01 0.43 -0.16 0.26 -0.54 0.00 0.00 174.62 174.62 1swe s TRP 92 N -0.56 2.68 -0.06 3.99 0.51 0.72 -1.48 118.94 124.73 1swe s TRP 92 Ca 0.08 -0.35 0.01 0.00 -2.12 0.00 0.00 56.10 53.72 1swe s TRP 92 Cb -0.08 -1.67 0.02 0.00 -0.81 0.00 0.00 33.47 30.92 1swe s TRP 92 CO -0.00 0.03 -0.06 0.45 -0.51 0.00 0.00 176.95 176.86 1swe s SER 93 N -0.39 1.43 0.00 2.95 0.15 -0.32 -0.84 113.70 116.68 1swe s SER 93 Ca 0.04 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1swe s SER 93 Cb -0.12 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1swe s SER 93 CO 0.02 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1swe n GLY 94 N 4.31 2.10 3.10 9.45 0.00 -0.19 -1.24 105.19 122.70 1swe n GLY 94 Ca -0.20 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 1.17 0.35 0.03 1.61 -2.07 -0.89 -1.51 119.66 118.34 1swe s GLN 95 Ca 0.00 -0.01 -0.18 0.00 -1.82 0.00 0.00 55.36 53.35 1swe s GLN 95 Cb 0.00 0.15 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 1swe s GLN 95 CO 0.00 -0.07 0.51 -0.47 -1.32 0.00 0.00 175.29 173.95 1swe s TYR 96 N -0.53 3.75 -0.19 9.60 5.04 0.44 -2.54 117.35 132.92 1swe s TYR 96 Ca -0.06 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1swe s TYR 96 Cb -0.04 -2.45 0.05 0.00 0.35 0.00 0.00 41.96 39.87 1swe s TYR 96 CO 0.01 0.54 -0.01 0.08 -1.34 0.00 0.00 175.55 174.83 1swe s VAL 97 N -0.85 0.90 0.68 3.14 1.01 0.26 -0.88 120.40 124.66 1swe s VAL 97 Ca 0.27 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1swe s VAL 97 Cb -0.18 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1swe s VAL 97 CO 0.16 -0.06 1.02 -0.83 0.00 0.00 0.00 175.10 175.40 1swe s GLY 98 N 1.70 1.63 0.00 4.51 0.00 -1.26 -0.11 107.32 113.79 1swe s GLY 98 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1swe s GLY 98 CO -0.07 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.33 1swe n GLY 99 N -2.88 0.13 0.28 0.20 0.00 -1.26 -4.70 105.19 96.95 1swe n GLY 99 Ca 0.07 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 1.07 -2.66 4.61 0.00 -2.07 -3.23 119.26 116.98 1swe h ALA 100 Ca 0.00 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.93 1swe h ALA 100 Cb 0.00 -0.18 -0.36 0.00 0.00 0.00 0.00 17.79 17.25 1swe h ALA 100 CO 0.00 0.58 -0.12 0.39 0.00 0.00 0.00 179.25 180.10 1swe n GLU 101 N -4.19 2.75 -1.68 0.00 -0.58 -1.26 -5.06 120.64 110.62 1swe n GLU 101 Ca 0.02 -4.52 -0.41 0.00 -0.42 0.00 0.00 57.16 51.82 1swe n GLU 101 Cb 0.33 -2.39 0.01 0.00 -0.57 0.00 0.00 31.44 28.83 1swe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swe n ALA 102 N 1.92 0.99 -2.43 0.62 0.00 -1.22 -4.86 120.51 115.53 1swe n ALA 102 Ca 0.23 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1swe n ALA 102 Cb 0.37 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1swe n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swe s ARG 103 N -2.12 0.57 -0.29 0.00 0.52 0.84 -4.28 118.95 114.18 1swe s ARG 103 Ca 0.61 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 1swe s ARG 103 Cb -0.53 0.21 0.08 0.00 0.52 0.00 0.00 34.95 35.23 1swe s ARG 103 CO 0.58 -0.12 -0.01 0.42 0.02 0.00 0.00 175.30 176.19 1swe s ILE 104 N -3.18 1.97 -0.09 1.52 1.01 -0.63 0.89 121.20 122.69 1swe s ILE 104 Ca -0.00 -1.83 -0.23 0.00 0.00 0.00 0.00 60.65 58.60 1swe s ILE 104 Cb 0.02 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1swe s ILE 104 CO -0.07 -0.34 0.68 0.20 0.00 0.00 0.00 174.94 175.41 1swe s ASN 105 N 1.12 6.92 0.12 3.58 0.01 -1.05 -2.16 114.94 123.48 1swe s ASN 105 Ca 0.01 1.11 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 1swe s ASN 105 Cb -0.19 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1swe s ASN 105 CO -0.08 -0.14 -0.02 0.42 -1.51 0.00 0.00 177.10 175.76 1swe s THR 106 N 0.99 0.57 0.08 1.60 -4.23 0.22 -2.09 115.64 112.77 1swe s THR 106 Ca 0.36 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1swe s THR 106 Cb -0.17 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1swe s THR 106 CO 0.16 -0.70 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.21 1swe s GLN 107 N -3.90 1.40 0.06 3.99 -0.21 -0.37 -1.95 119.66 118.68 1swe s GLN 107 Ca 0.17 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.43 1swe s GLN 107 Cb 0.06 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 1swe s GLN 107 CO -0.01 0.41 -0.05 1.67 -2.12 0.00 0.00 175.29 175.19 1swe s TRP 108 N -0.96 0.63 -0.12 0.91 1.48 0.20 -1.17 118.94 119.91 1swe s TRP 108 Ca 0.10 -0.85 -0.00 0.00 -1.06 0.00 0.00 56.10 54.28 1swe s TRP 108 Cb -0.10 -0.40 0.03 0.00 -1.16 0.00 0.00 33.47 31.84 1swe s TRP 108 CO 0.03 -0.23 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.12 1swe s LEU 109 N -2.53 1.18 -0.34 -4.66 1.43 -0.55 -2.02 118.68 111.18 1swe s LEU 109 Ca 0.03 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1swe s LEU 109 Cb 0.02 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1swe s LEU 109 CO -0.05 -0.13 0.11 -0.22 0.23 0.00 0.00 176.35 176.29 1swe s LEU 110 N 1.72 4.35 -0.15 1.79 2.96 -0.63 -1.86 118.68 126.86 1swe s LEU 110 Ca 0.05 -1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 52.75 1swe s LEU 110 Cb -0.13 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1swe s LEU 110 CO -0.08 -0.33 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.72 1swe s THR 111 N 1.40 4.20 -0.10 3.68 2.01 0.71 -1.22 115.64 126.32 1swe s THR 111 Ca -0.01 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1swe s THR 111 Cb -0.20 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1swe s THR 111 CO 0.03 0.50 -0.01 -0.44 -0.69 0.00 0.00 174.62 174.01 1swe s SER 112 N 0.19 5.12 -0.08 3.53 0.01 -0.69 -0.09 113.70 121.68 1swe s SER 112 Ca 0.00 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 1swe s SER 112 Cb -0.13 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.50 1swe s SER 112 CO 0.02 0.32 1.91 -0.83 0.41 0.00 0.00 173.24 175.07 1swe s GLY 113 N -0.53 1.22 0.28 3.44 0.00 -0.68 -4.83 107.32 106.21 1swe s GLY 113 Ca 0.09 1.00 0.11 0.00 0.00 0.00 0.00 44.72 45.92 1swe s GLY 113 CO 0.02 3.39 -0.15 -0.51 0.00 0.00 0.00 173.10 175.86 1swe s THR 114 N 5.35 2.75 1.12 0.90 -4.23 -1.26 -5.03 115.64 115.24 1swe s THR 114 Ca 0.86 -2.27 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 1swe s THR 114 Cb -0.36 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.28 1swe s THR 114 CO 0.36 -0.39 1.12 0.42 -0.54 0.00 0.00 174.62 175.59 1swe s THR 115 N -2.45 1.75 -0.91 3.99 -4.23 -1.26 -4.87 115.64 107.66 1swe s THR 115 Ca 0.30 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.07 1swe s THR 115 Cb -0.05 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1swe s THR 115 CO 0.16 0.00 1.50 -0.62 -0.54 0.00 0.00 174.62 175.12 1swe n GLU 116 N -4.51 0.08 0.20 3.99 -0.58 -1.26 -2.71 120.64 115.85 1swe n GLU 116 Ca 0.11 0.03 0.15 0.00 -0.42 0.00 0.00 57.16 57.02 1swe n GLU 116 Cb 0.59 -1.55 0.62 0.00 -0.57 0.00 0.00 31.44 30.52 1swe n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swe h ALA 117 N 2.87 1.00 -0.13 0.62 0.00 -2.07 -2.69 119.26 118.86 1swe h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1swe h ALA 117 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1swe h ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1swe n ASN 118 N -2.60 2.64 0.15 0.00 3.02 -1.10 -4.70 115.26 112.65 1swe n ASN 118 Ca 0.01 -2.45 0.02 0.00 -0.03 0.00 0.00 54.58 52.13 1swe n ASN 118 Cb 0.23 -0.26 0.37 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.79 1.44 -0.33 5.41 0.00 -1.38 -1.98 119.26 123.22 1swe h ALA 119 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1swe h ALA 119 Cb 0.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1swe h ALA 119 CO 0.04 0.40 0.30 0.11 0.00 0.00 0.00 179.25 180.10 1swe h TRP 120 N 0.14 0.00 -0.70 0.00 5.08 -1.84 0.93 115.95 119.56 1swe h TRP 120 Ca 0.02 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.60 1swe h TRP 120 Cb 0.50 0.00 -0.23 0.00 -3.00 0.00 0.00 29.16 26.44 1swe h TRP 120 CO 0.00 0.00 0.27 0.36 -1.28 0.00 0.00 178.44 177.79 1swe n LYS 121 N -3.99 2.18 0.00 0.12 2.85 -0.74 -4.69 118.16 113.88 1swe n LYS 121 Ca 0.05 -3.19 0.13 0.00 -1.05 0.00 0.00 58.31 54.25 1swe n LYS 121 Cb 0.47 -2.04 0.39 0.00 -0.65 0.00 0.00 35.03 33.20 1swe n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swe n SER 122 N -1.09 0.47 -3.99 -5.58 3.41 0.32 -4.88 113.62 102.28 1swe n SER 122 Ca 0.48 -0.23 -0.23 0.00 -0.26 0.00 0.00 58.87 58.62 1swe n SER 122 Cb 1.25 0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 65.07 1swe n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swe s THR 123 N -2.86 0.95 0.00 6.66 2.01 -1.26 -1.70 115.64 119.44 1swe s THR 123 Ca 0.16 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 1swe s THR 123 Cb 0.18 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1swe s THR 123 CO 0.61 0.31 0.28 -0.76 -0.69 0.00 0.00 174.62 174.37 1swe s LEU 124 N 0.69 4.38 0.12 4.42 1.43 -0.35 -4.96 118.68 124.41 1swe s LEU 124 Ca -0.13 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.67 1swe s LEU 124 Cb -0.15 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1swe s LEU 124 CO 0.03 0.27 -0.21 0.54 0.23 0.00 0.00 176.35 177.21 1swe s VAL 125 N -1.26 1.79 0.06 -1.59 0.11 -1.26 -1.60 120.40 116.66 1swe s VAL 125 Ca 0.26 -1.67 -0.05 0.00 -2.93 0.00 0.00 61.98 57.59 1swe s VAL 125 Cb -0.13 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.06 1swe s VAL 125 CO 0.15 -0.12 0.26 0.61 -3.33 0.00 0.00 175.10 172.66 1swe n GLY 126 N 0.83 1.25 3.02 6.54 0.00 -0.86 -5.01 105.19 110.97 1swe n GLY 126 Ca -0.17 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 -5.48 1.19 -0.02 1.61 -3.43 -1.26 0.59 115.29 108.48 1swe s HIS 127 Ca 0.06 -0.34 0.07 0.00 -0.80 0.00 0.00 55.06 54.05 1swe s HIS 127 Cb -0.01 -0.85 -0.02 0.00 -1.43 0.00 0.00 32.58 30.27 1swe s HIS 127 CO 0.02 -0.16 -0.25 -0.51 -2.00 0.00 0.00 174.74 171.84 1swe s ASP 128 N 0.32 2.94 -0.20 7.38 1.01 -0.82 -4.98 116.67 122.32 1swe s ASP 128 Ca -0.06 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 52.72 1swe s ASP 128 Cb -0.11 -0.40 0.00 0.00 1.01 0.00 0.00 42.92 43.42 1swe s ASP 128 CO 0.01 0.30 -0.10 -0.89 0.21 0.00 0.00 175.17 174.70 1swe s THR 129 N -0.52 2.88 -0.12 -1.27 2.01 -1.26 0.70 115.64 118.07 1swe s THR 129 Ca 0.08 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1swe s THR 129 Cb -0.10 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1swe s THR 129 CO -0.00 0.47 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 1swe s PHE 130 N 1.37 2.88 0.35 4.92 0.08 -0.92 -3.23 117.98 123.43 1swe s PHE 130 Ca 0.05 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1swe s PHE 130 Cb -0.14 -1.83 -0.07 0.00 -0.57 0.00 0.00 43.02 40.41 1swe s PHE 130 CO -0.06 -0.03 0.05 0.95 -0.10 0.00 0.00 175.22 176.02 1swe s THR 131 N 0.06 1.34 -0.47 0.64 -4.23 0.16 -1.61 115.64 111.55 1swe s THR 131 Ca -0.03 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 1swe s THR 131 Cb -0.14 -2.82 0.26 0.00 1.34 0.00 0.00 72.50 71.14 1swe s THR 131 CO 0.04 0.00 1.54 0.11 -0.54 0.00 0.00 174.62 175.76 1swe h LYS 132 N 2.03 0.00 0.00 3.99 1.79 -1.84 -1.32 116.57 121.22 1swe h LYS 132 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1swe h LYS 132 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1swe h LYS 132 CO 0.72 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 180.42