#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsu s GLU 14 N 0.00 3.07 0.33 3.17 -6.30 -1.24 -4.74 118.70 112.99 1rsu s GLU 14 Ca 0.00 -0.62 0.05 0.00 -2.50 0.00 0.00 54.97 51.90 1rsu s GLU 14 Cb 0.00 -5.11 0.60 0.00 0.00 0.00 0.00 34.13 29.62 1rsu s GLU 14 CO 0.00 -2.73 1.86 0.00 0.02 0.00 0.00 175.26 174.40 1rsu h ALA 15 N 10.73 1.35 -0.95 6.30 0.00 -1.90 -0.53 119.26 134.25 1rsu h ALA 15 Ca 0.10 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rsu h ALA 15 Cb 1.02 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1rsu h ALA 15 CO 1.32 0.44 0.60 0.78 0.00 0.00 0.00 179.25 182.39 1rsu h GLY 16 N 0.85 1.45 0.94 0.00 0.00 -2.00 -2.54 103.07 101.76 1rsu h GLY 16 Ca 0.09 -0.36 -0.33 0.00 0.00 0.00 0.00 47.33 46.73 1rsu h GLY 16 CO 0.02 0.10 -1.75 -2.22 0.00 0.00 0.00 176.54 172.69 1rsu h ILE 17 N 0.83 0.90 -2.77 2.60 2.04 -1.79 -3.46 117.51 115.85 1rsu h ILE 17 Ca 0.48 -2.58 -0.52 0.00 1.00 0.00 0.00 64.86 63.24 1rsu h ILE 17 Cb 0.64 2.63 0.06 0.00 -0.74 0.00 0.00 36.82 39.42 1rsu h ILE 17 CO -0.25 0.81 0.99 -0.89 0.00 0.00 0.00 178.15 178.81 1rsu s THR 18 N -2.59 2.03 -5.00 -0.27 2.01 -0.27 -4.79 115.64 106.77 1rsu s THR 18 Ca -0.14 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1rsu s THR 18 Cb 0.07 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1rsu s THR 18 CO 0.82 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1rsu n GLY 19 N 3.70 0.67 3.65 4.40 0.00 -0.35 -4.90 105.19 112.35 1rsu n GLY 19 Ca 0.15 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1rsu n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rsu s THR 20 N -2.56 4.79 0.12 2.61 2.01 -1.26 -1.44 115.64 119.90 1rsu s THR 20 Ca 0.00 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.05 1rsu s THR 20 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1rsu s THR 20 CO 0.00 0.48 -0.21 0.26 -0.69 0.00 0.00 174.62 174.46 1rsu s TRP 21 N 0.23 1.82 -0.01 4.92 0.52 0.40 -4.59 118.94 122.24 1rsu s TRP 21 Ca 0.04 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.77 1rsu s TRP 21 Cb -0.12 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.21 1rsu s TRP 21 CO 0.00 0.24 -0.11 0.71 0.02 0.00 0.00 176.95 177.81 1rsu s TYR 22 N -1.32 0.97 0.60 -1.98 2.02 0.65 -1.03 117.35 117.26 1rsu s TYR 22 Ca 0.09 -0.19 0.08 0.00 -0.37 0.00 0.00 57.07 56.67 1rsu s TYR 22 Cb -0.09 -0.63 0.10 0.00 -0.40 0.00 0.00 41.96 40.94 1rsu s TYR 22 CO 0.05 -0.02 0.83 0.27 -1.57 0.00 0.00 175.55 175.10 1rsu n ASN 23 N 2.86 1.95 0.13 2.29 6.94 -0.96 -0.60 115.26 127.87 1rsu n ASN 23 Ca -0.14 -2.45 0.14 0.00 -0.02 0.00 0.00 54.58 52.11 1rsu n ASN 23 Cb 0.56 -0.46 0.66 0.00 -2.36 0.00 0.00 39.78 38.19 1rsu n ASN 23 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1rsu h GLN 24 N 0.00 0.00 0.00 -3.83 7.50 -1.91 -2.47 115.11 114.40 1rsu h GLN 24 Ca -0.28 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.87 1rsu h GLN 24 Cb 1.23 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.76 1rsu h GLN 24 CO 0.38 0.00 -0.20 -0.11 -1.50 0.00 0.00 178.83 177.40 1rsu n LEU 25 N -4.46 0.50 0.00 1.46 7.94 -1.26 -4.93 117.00 116.25 1rsu n LEU 25 Ca 0.03 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1rsu n LEU 25 Cb 0.34 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1rsu n LEU 25 CO 0.35 -0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1rsu n GLY 26 N 1.40 0.48 3.76 -3.96 0.00 -0.93 -4.86 105.19 101.08 1rsu n GLY 26 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1rsu n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rsu s SER 27 N -2.10 6.00 -0.13 1.61 0.01 -1.26 -3.66 113.70 114.18 1rsu s SER 27 Ca 0.00 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1rsu s SER 27 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1rsu s SER 27 CO 0.00 -1.06 -0.14 -0.89 0.41 0.00 0.00 173.24 171.55 1rsu s THR 28 N -1.32 2.93 -0.26 1.44 2.01 -0.34 -2.26 115.64 117.85 1rsu s THR 28 Ca 0.62 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1rsu s THR 28 Cb -0.37 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 69.96 1rsu s THR 28 CO 0.47 0.53 -0.08 0.12 -0.69 0.00 0.00 174.62 174.97 1rsu s PHE 29 N 0.34 3.19 -0.23 4.92 5.36 -0.20 -0.67 117.98 130.69 1rsu s PHE 29 Ca -0.12 -2.02 -0.05 0.00 -0.96 0.00 0.00 56.93 53.78 1rsu s PHE 29 Cb -0.16 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1rsu s PHE 29 CO 0.06 -0.83 0.01 0.42 -1.46 0.00 0.00 175.22 173.42 1rsu s ILE 30 N 1.19 3.86 0.06 3.12 1.01 -0.36 -0.45 121.20 129.63 1rsu s ILE 30 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1rsu s ILE 30 Cb -0.19 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1rsu s ILE 30 CO -0.04 0.39 -0.07 0.54 0.00 0.00 0.00 174.94 175.76 1rsu s VAL 31 N 1.46 0.52 -0.15 2.92 0.11 -0.52 -1.51 120.40 123.23 1rsu s VAL 31 Ca 0.05 -1.33 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 1rsu s VAL 31 Cb -0.15 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1rsu s VAL 31 CO 0.00 -0.56 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.12 1rsu s THR 32 N -2.13 1.97 -0.49 5.04 2.01 0.20 -1.21 115.64 121.02 1rsu s THR 32 Ca -0.04 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 1rsu s THR 32 Cb -0.05 -1.76 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1rsu s THR 32 CO -0.02 0.53 0.61 0.00 -0.69 0.00 0.00 174.62 175.05 1rsu s ALA 33 N 1.02 3.39 0.65 7.40 0.00 -1.26 -2.16 121.76 130.80 1rsu s ALA 33 Ca -0.03 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.09 1rsu s ALA 33 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1rsu s ALA 33 CO -0.06 -1.96 1.11 0.20 0.00 0.00 0.00 175.76 175.06 1rsu s GLY 34 N 2.57 2.21 0.54 0.00 0.00 0.85 0.10 107.32 113.59 1rsu s GLY 34 Ca 0.15 0.58 0.29 0.00 0.00 0.00 0.00 44.72 45.74 1rsu s GLY 34 CO 0.13 0.93 2.11 0.00 0.00 0.00 0.00 173.10 176.26 1rsu h ALA 35 N 0.16 1.29 0.00 3.20 0.00 -1.93 -1.36 119.26 120.61 1rsu h ALA 35 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rsu h ALA 35 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rsu h ALA 35 CO 0.54 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1rsu n ASP 36 N -3.62 0.39 0.00 0.00 5.75 -1.26 -4.60 116.55 113.21 1rsu n ASP 36 Ca -0.02 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1rsu n ASP 36 Cb 0.21 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1rsu n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rsu n GLY 37 N 1.36 0.98 3.84 6.12 0.00 -0.81 -4.92 105.19 111.76 1rsu n GLY 37 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1rsu n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsu s ALA 38 N -2.00 3.41 -0.07 4.61 0.00 -1.25 -1.53 121.76 124.93 1rsu s ALA 38 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1rsu s ALA 38 Cb 0.00 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 1rsu s ALA 38 CO 0.00 0.36 -0.23 -0.51 0.00 0.00 0.00 175.76 175.38 1rsu s LEU 39 N -2.40 2.03 -0.03 0.00 1.43 -0.27 -0.11 118.68 119.32 1rsu s LEU 39 Ca 0.47 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1rsu s LEU 39 Cb -0.14 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1rsu s LEU 39 CO 0.19 0.19 0.13 -0.89 0.23 0.00 0.00 176.35 176.20 1rsu s THR 40 N 0.07 0.03 -2.91 5.49 2.01 -0.92 -1.19 115.64 118.22 1rsu s THR 40 Ca -0.09 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1rsu s THR 40 Cb -0.15 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1rsu s THR 40 CO 0.05 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 1rsu n GLY 41 N 2.57 -0.59 3.05 4.40 0.00 -1.00 -0.63 105.19 112.98 1rsu n GLY 41 Ca -0.15 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1rsu n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rsu s THR 42 N -3.69 0.16 -0.04 2.61 -4.23 -0.57 -1.35 115.64 108.54 1rsu s THR 42 Ca 0.00 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.22 1rsu s THR 42 Cb 0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1rsu s THR 42 CO 0.00 -0.74 -0.21 -0.47 -0.54 0.00 0.00 174.62 172.66 1rsu s TYR 43 N -2.77 2.00 0.29 3.99 5.04 0.21 -1.23 117.35 124.89 1rsu s TYR 43 Ca -0.04 -0.52 -0.06 0.00 -2.44 0.00 0.00 57.07 54.01 1rsu s TYR 43 Cb -0.00 -1.32 -0.01 0.00 0.35 0.00 0.00 41.96 40.98 1rsu s TYR 43 CO -0.06 -0.14 0.43 -1.83 -1.34 0.00 0.00 175.55 172.61 1rsu s GLU 44 N -0.20 1.67 0.83 4.97 -1.05 0.15 -0.79 118.70 124.28 1rsu s GLU 44 Ca 0.00 -1.55 -0.12 0.00 -0.15 0.00 0.00 54.97 53.15 1rsu s GLU 44 Cb -0.11 0.43 0.10 0.00 -0.44 0.00 0.00 34.13 34.11 1rsu s GLU 44 CO 0.02 -0.68 1.20 -1.54 0.95 0.00 0.00 175.26 175.20 1rsu s SER 45 N -3.14 4.28 0.10 0.83 1.04 -1.24 -1.19 113.70 114.38 1rsu s SER 45 Ca 0.29 0.68 -0.23 0.00 0.48 0.00 0.00 55.95 57.17 1rsu s SER 45 Cb 0.01 -1.10 -0.10 0.00 0.10 0.00 0.00 66.02 64.92 1rsu s SER 45 CO 0.15 -2.03 1.71 0.00 0.98 0.00 0.00 173.24 174.05 1rsu h ALA 46 N -1.14 -0.05 -0.51 5.32 0.00 -1.89 -1.28 119.26 119.71 1rsu h ALA 46 Ca -0.46 0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.76 1rsu h ALA 46 Cb 1.31 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1rsu h ALA 46 CO 0.61 -0.55 2.49 1.33 0.00 0.00 0.00 179.25 183.13 1rsu n VAL 47 N -5.18 4.92 -0.83 0.00 0.24 -1.26 -4.91 118.33 111.31 1rsu n VAL 47 Ca -0.06 -3.87 -0.10 0.00 -2.04 0.00 0.00 64.34 58.27 1rsu n VAL 47 Cb 0.11 -2.14 -0.03 0.00 -1.47 0.00 0.00 33.84 30.31 1rsu n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rsu n GLY 48 N 2.01 0.16 3.93 7.63 0.00 -0.48 -4.88 105.19 113.55 1rsu n GLY 48 Ca 0.64 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 1rsu n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rsu s ASN 49 N 3.79 5.68 0.44 1.61 6.03 -1.26 -4.96 114.94 126.26 1rsu s ASN 49 Ca 0.15 0.53 0.17 0.00 -1.03 0.00 0.00 52.86 52.69 1rsu s ASN 49 Cb 0.03 -1.62 1.09 0.00 -3.03 0.00 0.00 41.25 37.73 1rsu s ASN 49 CO 0.08 -0.93 1.92 0.00 -2.03 0.00 0.00 177.10 176.14 1rsu h ALA 50 N 0.05 2.17 0.00 3.54 0.00 -1.97 -0.78 119.26 122.28 1rsu h ALA 50 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1rsu h ALA 50 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rsu h ALA 50 CO 0.59 -0.38 -0.00 0.93 0.00 0.00 0.00 179.25 180.39 1rsu h GLU 51 N 0.37 0.00 -0.29 0.00 3.07 -1.95 -2.26 114.58 113.52 1rsu h GLU 51 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1rsu h GLU 51 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1rsu h GLU 51 CO -0.11 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.37 1rsu n SER 52 N -3.12 3.06 -4.75 1.42 3.41 -0.30 -4.82 113.62 108.51 1rsu n SER 52 Ca -0.02 -1.89 -0.37 0.00 -0.26 0.00 0.00 58.87 56.33 1rsu n SER 52 Cb 0.15 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1rsu n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1rsu s ARG 53 N -1.33 4.16 0.05 4.33 3.52 -0.85 -3.60 118.95 125.23 1rsu s ARG 53 Ca 0.30 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1rsu s ARG 53 Cb 0.18 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1rsu s ARG 53 CO 0.26 0.33 -0.11 0.71 -0.81 0.00 0.00 175.30 175.68 1rsu s TYR 54 N 0.16 0.94 0.36 5.12 1.51 0.03 -4.84 117.35 120.63 1rsu s TYR 54 Ca 0.19 -0.43 -0.25 0.00 -1.01 0.00 0.00 57.07 55.56 1rsu s TYR 54 Cb -0.14 -0.55 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 1rsu s TYR 54 CO 0.06 -0.01 1.01 0.08 -1.11 0.00 0.00 175.55 175.59 1rsu s VAL 55 N -1.16 3.89 0.07 0.71 1.01 -1.26 -0.62 120.40 123.04 1rsu s VAL 55 Ca -0.04 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.50 1rsu s VAL 55 Cb -0.09 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1rsu s VAL 55 CO 0.01 0.09 -0.10 -1.48 0.00 0.00 0.00 175.10 173.62 1rsu s LEU 56 N -2.30 2.33 -0.01 3.92 0.05 -0.46 -4.33 118.68 117.88 1rsu s LEU 56 Ca 0.54 -0.69 -0.08 0.00 0.05 0.00 0.00 54.13 53.95 1rsu s LEU 56 Cb -0.22 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.65 1rsu s LEU 56 CO 0.27 -0.22 0.16 0.28 -0.55 0.00 0.00 176.35 176.30 1rsu s THR 57 N -1.90 0.06 0.00 5.48 -1.32 -1.05 -2.39 115.64 114.53 1rsu s THR 57 Ca -0.01 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1rsu s THR 57 Cb -0.06 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1rsu s THR 57 CO 0.00 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1rsu n GLY 58 N 1.75 1.89 3.12 6.08 0.00 -0.33 -1.05 105.19 116.64 1rsu n GLY 58 Ca -0.21 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1rsu n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rsu s ARG 59 N -0.89 0.63 0.08 1.61 1.81 -0.57 -1.12 118.95 120.50 1rsu s ARG 59 Ca 0.00 -0.92 -0.11 0.00 -1.72 0.00 0.00 55.73 52.99 1rsu s ARG 59 Cb 0.00 0.24 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1rsu s ARG 59 CO 0.00 -0.15 0.24 1.52 -0.68 0.00 0.00 175.30 176.22 1rsu s TYR 60 N -3.16 0.05 -0.42 -0.53 1.13 -0.58 -1.66 117.35 112.19 1rsu s TYR 60 Ca -0.00 -0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 54.97 1rsu s TYR 60 Cb 0.02 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1rsu s TYR 60 CO -0.07 -0.55 1.54 0.34 -2.51 0.00 0.00 175.55 174.30 1rsu s ASP 61 N -2.64 6.14 0.00 -0.18 2.15 -0.47 -4.63 116.67 117.03 1rsu s ASP 61 Ca 0.02 0.87 0.30 0.00 0.43 0.00 0.00 52.55 54.17 1rsu s ASP 61 Cb 0.03 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.60 1rsu s ASP 61 CO -0.09 -1.58 2.02 -1.54 -0.17 0.00 0.00 175.17 173.80 1rsu n SER 62 N 9.48 0.23 -3.16 -0.34 3.41 -1.26 -4.03 113.62 117.95 1rsu n SER 62 Ca 0.18 -0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 58.02 1rsu n SER 62 Cb 0.48 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1rsu n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rsu n ALA 63 N -1.04 2.66 -0.67 7.33 0.00 -1.26 -5.00 120.51 122.53 1rsu n ALA 63 Ca 0.17 -3.71 -0.30 0.00 0.00 0.00 0.00 53.44 49.60 1rsu n ALA 63 Cb 0.23 -0.87 0.18 0.00 0.00 0.00 0.00 19.45 18.99 1rsu n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rsu s PRO 64 N -2.41 0.60 0.63 0.00 0.04 -1.26 -4.99 135.00 127.62 1rsu s PRO 64 Ca 0.41 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1rsu s PRO 64 Cb 0.30 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 33.13 1rsu s PRO 64 CO -0.09 -2.86 1.10 0.00 0.04 0.00 0.00 177.00 175.19 1rsu s ALA 65 N -2.61 2.55 -2.27 8.56 0.00 -1.26 -4.96 121.76 121.77 1rsu s ALA 65 Ca 0.67 0.55 0.20 0.00 0.00 0.00 0.00 51.96 53.38 1rsu s ALA 65 Cb -0.23 -3.31 0.31 0.00 0.00 0.00 0.00 23.12 19.90 1rsu s ALA 65 CO 0.59 -1.12 1.27 0.25 0.00 0.00 0.00 175.76 176.76 1rsu n THR 66 N -2.20 0.37 1.60 0.00 -2.24 -1.26 -4.44 114.28 106.11 1rsu n THR 66 Ca 0.10 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1rsu n THR 66 Cb 0.52 1.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.91 1rsu n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rsu n ASP 67 N 1.25 0.00 0.00 3.42 5.75 -1.26 -4.78 116.55 120.92 1rsu n ASP 67 Ca 0.16 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1rsu n ASP 67 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1rsu n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rsu n GLY 68 N 0.33 0.36 3.76 6.12 0.00 -1.26 -5.07 105.19 109.43 1rsu n GLY 68 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1rsu n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rsu s SER 69 N -2.44 5.11 1.07 1.61 0.01 -1.26 -5.03 113.70 112.77 1rsu s SER 69 Ca 0.00 2.13 -0.17 0.00 1.31 0.00 0.00 55.95 59.22 1rsu s SER 69 Cb 0.00 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.89 1rsu s SER 69 CO 0.00 -1.64 1.17 -0.83 0.41 0.00 0.00 173.24 172.35 1rsu s GLY 70 N -2.24 1.63 -0.37 3.44 0.00 -1.26 -4.78 107.32 103.74 1rsu s GLY 70 Ca 0.70 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 1rsu s GLY 70 CO 0.38 -0.12 0.20 -1.59 0.00 0.00 0.00 173.10 171.97 1rsu s THR 71 N -3.29 4.51 0.31 0.90 2.01 0.31 -4.77 115.64 115.63 1rsu s THR 71 Ca 0.70 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1rsu s THR 71 Cb -0.10 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1rsu s THR 71 CO 0.55 -0.24 1.34 0.00 -0.69 0.00 0.00 174.62 175.58 1rsu s ALA 72 N 1.54 3.52 0.27 7.40 0.00 -1.26 -0.49 121.76 132.74 1rsu s ALA 72 Ca 0.02 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1rsu s ALA 72 Cb -0.19 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1rsu s ALA 72 CO 0.06 -0.67 0.64 -0.48 0.00 0.00 0.00 175.76 175.31 1rsu s LEU 73 N -1.48 -0.04 -0.04 0.00 2.34 -0.26 -1.37 118.68 117.81 1rsu s LEU 73 Ca 0.51 -0.74 -0.29 0.00 0.06 0.00 0.00 54.13 53.67 1rsu s LEU 73 Cb -0.40 2.39 0.10 0.00 -0.56 0.00 0.00 46.19 47.72 1rsu s LEU 73 CO 0.51 -1.29 0.84 -0.83 -1.06 0.00 0.00 176.35 174.53 1rsu s GLY 74 N -2.96 -0.44 0.16 -3.48 0.00 -0.66 -1.65 107.32 98.28 1rsu s GLY 74 Ca 0.15 1.34 -0.14 0.00 0.00 0.00 0.00 44.72 46.07 1rsu s GLY 74 CO 0.08 0.67 0.40 0.66 0.00 0.00 0.00 173.10 174.90 1rsu s TRP 75 N -2.14 0.02 0.02 1.90 -2.14 -0.78 -1.51 118.94 114.31 1rsu s TRP 75 Ca -0.01 -0.37 0.04 0.00 2.66 0.00 0.00 56.10 58.42 1rsu s TRP 75 Cb -0.01 0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.54 1rsu s TRP 75 CO -0.02 -0.77 -0.13 0.99 -2.66 0.00 0.00 176.95 174.35 1rsu s THR 76 N -3.88 1.05 -0.10 0.66 2.01 -0.22 -1.02 115.64 114.14 1rsu s THR 76 Ca 0.09 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1rsu s THR 76 Cb 0.01 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1rsu s THR 76 CO -0.05 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.17 1rsu s VAL 77 N -0.66 1.18 -0.18 3.82 1.01 -0.57 -2.51 120.40 122.48 1rsu s VAL 77 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1rsu s VAL 77 Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1rsu s VAL 77 CO 0.01 0.38 0.40 0.00 0.00 0.00 0.00 175.10 175.89 1rsu s ALA 78 N 1.22 3.55 -1.44 5.51 0.00 -1.26 -0.97 121.76 128.37 1rsu s ALA 78 Ca -0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1rsu s ALA 78 Cb -0.14 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1rsu s ALA 78 CO -0.03 -0.20 2.72 0.91 0.00 0.00 0.00 175.76 179.15 1rsu n TRP 79 N 4.23 2.20 -4.02 0.00 7.02 0.34 -4.77 117.44 122.44 1rsu n TRP 79 Ca -0.09 -2.80 -0.17 0.00 -1.02 0.00 0.00 57.50 53.42 1rsu n TRP 79 Cb 0.51 -2.29 -0.16 0.00 -2.42 0.00 0.00 31.31 26.95 1rsu n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1rsu s LYS 80 N 2.55 0.43 0.03 -0.99 2.20 -1.26 -1.25 119.74 121.45 1rsu s LYS 80 Ca 0.61 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 1rsu s LYS 80 Cb 0.16 -0.53 -0.00 0.00 -1.51 0.00 0.00 37.83 35.94 1rsu s LYS 80 CO -0.05 -0.08 0.03 0.27 -0.36 0.00 0.00 175.35 175.16 1rsu n ASN 81 N 3.89 -0.08 0.00 1.43 0.23 -0.21 -4.77 115.26 115.74 1rsu n ASN 81 Ca -0.24 -1.21 0.11 0.00 -0.53 0.00 0.00 54.58 52.71 1rsu n ASN 81 Cb 0.52 0.18 0.62 0.00 -2.08 0.00 0.00 39.78 39.01 1rsu n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rsu n ASN 82 N -2.73 0.00 -0.00 0.53 5.03 -1.26 -3.32 115.26 113.51 1rsu n ASN 82 Ca 0.01 -0.27 0.04 0.00 0.87 0.00 0.00 54.58 55.22 1rsu n ASN 82 Cb 0.06 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 38.57 1rsu n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1rsu n TYR 83 N -1.19 0.00 -3.49 3.10 4.01 -1.26 -5.07 117.16 113.26 1rsu n TYR 83 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 1rsu n TYR 83 Cb 0.15 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1rsu n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1rsu s ARG 84 N -2.40 1.09 -0.21 -0.72 3.52 -1.21 -5.13 118.95 113.90 1rsu s ARG 84 Ca -0.02 0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1rsu s ARG 84 Cb 0.05 0.51 0.07 0.00 -1.56 0.00 0.00 34.95 34.03 1rsu s ARG 84 CO 0.33 -0.39 0.10 1.21 -0.81 0.00 0.00 175.30 175.74 1rsu s ASN 85 N -1.68 2.82 0.00 -2.12 3.84 -1.26 -1.05 114.94 115.49 1rsu s ASN 85 Ca -0.07 -0.87 0.15 0.00 0.21 0.00 0.00 52.86 52.28 1rsu s ASN 85 Cb -0.00 -0.33 0.43 0.00 -0.55 0.00 0.00 41.25 40.80 1rsu s ASN 85 CO 0.02 -0.38 1.35 0.00 -2.79 0.00 0.00 177.10 175.31 1rsu n ALA 86 N 5.23 2.44 -4.05 1.71 0.00 -0.38 -4.98 120.51 120.50 1rsu n ALA 86 Ca -0.07 -0.72 -0.45 0.00 0.00 0.00 0.00 53.44 52.20 1rsu n ALA 86 Cb 0.46 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.96 1rsu n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rsu n HIS 87 N 0.71 -1.44 -3.66 0.00 -0.00 -1.26 -4.88 115.22 104.70 1rsu n HIS 87 Ca 0.15 0.11 -0.08 0.00 -0.00 0.00 0.00 57.72 57.90 1rsu n HIS 87 Cb 0.36 -2.85 -0.02 0.00 -0.00 0.00 0.00 29.99 27.48 1rsu n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1rsu s SER 88 N -3.54 -0.34 -0.06 0.41 1.04 -1.26 -1.68 113.70 108.27 1rsu s SER 88 Ca 0.48 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.53 1rsu s SER 88 Cb -0.26 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1rsu s SER 88 CO 0.96 -1.02 0.22 0.00 0.98 0.00 0.00 173.24 174.38 1rsu s ALA 89 N -3.59 -0.53 -0.05 5.32 0.00 -0.55 -0.51 121.76 121.85 1rsu s ALA 89 Ca 0.08 0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1rsu s ALA 89 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1rsu s ALA 89 CO -0.02 -0.14 -0.24 0.99 0.00 0.00 0.00 175.76 176.35 1rsu s THR 90 N -0.33 1.93 -0.06 0.00 2.01 -0.15 -0.75 115.64 118.30 1rsu s THR 90 Ca -0.04 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1rsu s THR 90 Cb -0.03 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1rsu s THR 90 CO 0.01 0.54 -0.17 0.42 -0.69 0.00 0.00 174.62 174.73 1rsu s THR 91 N -0.21 2.77 -0.12 -0.82 -4.23 -0.43 -1.52 115.64 111.08 1rsu s THR 91 Ca -0.01 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1rsu s THR 91 Cb -0.13 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1rsu s THR 91 CO 0.03 0.58 -0.10 0.26 -0.54 0.00 0.00 174.62 174.84 1rsu s TRP 92 N -0.45 2.87 -0.08 3.99 0.51 -0.19 -1.64 118.94 123.95 1rsu s TRP 92 Ca 0.05 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.66 1rsu s TRP 92 Cb -0.12 -1.83 0.01 0.00 -0.81 0.00 0.00 33.47 30.72 1rsu s TRP 92 CO 0.02 -0.04 -0.16 0.45 -0.51 0.00 0.00 176.95 176.71 1rsu s SER 93 N 0.06 2.24 0.00 2.95 0.15 0.02 -1.86 113.70 117.26 1rsu s SER 93 Ca -0.03 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1rsu s SER 93 Cb -0.14 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1rsu s SER 93 CO 0.04 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1rsu n GLY 94 N 3.79 1.26 3.08 9.45 0.00 -0.66 -0.98 105.19 121.14 1rsu n GLY 94 Ca -0.21 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1rsu n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rsu s GLN 95 N 1.40 0.39 -0.06 1.61 -2.07 -0.63 -1.11 119.66 119.19 1rsu s GLN 95 Ca 0.00 -0.22 -0.18 0.00 -1.82 0.00 0.00 55.36 53.14 1rsu s GLN 95 Cb 0.00 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1rsu s GLN 95 CO 0.00 -0.09 0.50 -0.47 -1.32 0.00 0.00 175.29 173.92 1rsu s TYR 96 N -0.94 3.60 -0.23 9.60 5.04 0.35 -1.48 117.35 133.30 1rsu s TYR 96 Ca -0.10 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 1rsu s TYR 96 Cb -0.06 -2.52 0.05 0.00 0.35 0.00 0.00 41.96 39.78 1rsu s TYR 96 CO 0.01 0.30 -0.09 0.08 -1.34 0.00 0.00 175.55 174.51 1rsu s VAL 97 N 0.09 1.75 0.10 3.14 1.01 0.13 -0.53 120.40 126.09 1rsu s VAL 97 Ca 0.27 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1rsu s VAL 97 Cb -0.16 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1rsu s VAL 97 CO 0.13 0.04 0.13 0.61 0.00 0.00 0.00 175.10 176.01 1rsu n GLY 98 N 4.61 -1.05 0.00 4.51 0.00 -1.26 -1.04 105.19 110.96 1rsu n GLY 98 Ca -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1rsu n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rsu n GLY 99 N 4.12 -0.34 0.24 -0.02 0.00 -1.26 -4.50 105.19 103.43 1rsu n GLY 99 Ca 0.02 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 1rsu n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsu h ALA 100 N 0.00 0.84 -3.00 4.61 0.00 -2.07 -3.06 119.26 116.59 1rsu h ALA 100 Ca 0.00 0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.29 1rsu h ALA 100 Cb 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.36 1rsu h ALA 100 CO 0.00 -0.07 -0.34 -1.83 0.00 0.00 0.00 179.25 177.01 1rsu s GLU 101 N -6.09 2.82 0.44 0.00 4.04 -1.26 -5.08 118.70 113.57 1rsu s GLU 101 Ca -0.13 -3.22 -0.23 0.00 0.04 0.00 0.00 54.97 51.43 1rsu s GLU 101 Cb 0.16 -3.69 -0.08 0.00 0.02 0.00 0.00 34.13 30.54 1rsu s GLU 101 CO 0.75 -1.26 1.10 0.00 -1.84 0.00 0.00 175.26 174.02 1rsu s ALA 102 N -1.25 3.00 0.07 -0.84 0.00 -1.16 -4.87 121.76 116.71 1rsu s ALA 102 Ca 0.25 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 1rsu s ALA 102 Cb -0.08 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1rsu s ALA 102 CO -0.13 -0.44 0.43 -0.98 0.00 0.00 0.00 175.76 174.65 1rsu s ARG 103 N -2.68 0.99 -0.26 0.00 1.70 -0.21 -4.29 118.95 114.21 1rsu s ARG 103 Ca 0.62 -0.43 0.02 0.00 -0.47 0.00 0.00 55.73 55.46 1rsu s ARG 103 Cb -0.24 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1rsu s ARG 103 CO 0.30 -0.36 -0.10 0.42 -1.08 0.00 0.00 175.30 174.48 1rsu s ILE 104 N -2.84 2.35 -0.23 4.99 -1.09 -0.41 -0.70 121.20 123.28 1rsu s ILE 104 Ca -0.03 -1.46 -0.14 0.00 -2.23 0.00 0.00 60.65 56.79 1rsu s ILE 104 Cb -0.00 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 1rsu s ILE 104 CO -0.05 0.05 0.33 0.20 -1.23 0.00 0.00 174.94 174.24 1rsu s ASN 105 N 1.17 6.30 0.20 3.58 0.01 -0.55 -1.12 114.94 124.53 1rsu s ASN 105 Ca -0.06 0.35 0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1rsu s ASN 105 Cb -0.19 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1rsu s ASN 105 CO -0.05 -0.07 0.02 0.42 -1.51 0.00 0.00 177.10 175.91 1rsu s THR 106 N 1.46 0.68 -0.02 1.60 -4.23 -0.38 -1.60 115.64 113.15 1rsu s THR 106 Ca 0.15 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1rsu s THR 106 Cb -0.15 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1rsu s THR 106 CO 0.08 -0.34 -0.13 -1.10 -0.54 0.00 0.00 174.62 172.58 1rsu s GLN 107 N -3.94 1.16 0.21 3.99 -0.21 -0.15 -1.95 119.66 118.78 1rsu s GLN 107 Ca 0.28 -0.47 0.09 0.00 0.02 0.00 0.00 55.36 55.28 1rsu s GLN 107 Cb 0.06 -1.10 -0.05 0.00 1.00 0.00 0.00 33.01 32.93 1rsu s GLN 107 CO 0.07 0.26 -0.17 1.67 -2.12 0.00 0.00 175.29 175.00 1rsu s TRP 108 N -0.19 1.88 -0.11 0.91 1.48 -0.09 -0.80 118.94 122.02 1rsu s TRP 108 Ca 0.03 -0.49 -0.00 0.00 -1.06 0.00 0.00 56.10 54.57 1rsu s TRP 108 Cb -0.07 -0.87 0.02 0.00 -1.16 0.00 0.00 33.47 31.40 1rsu s TRP 108 CO -0.00 0.44 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.75 1rsu s LEU 109 N -3.21 1.15 -0.33 -4.66 1.43 -0.65 -1.99 118.68 110.41 1rsu s LEU 109 Ca 0.23 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1rsu s LEU 109 Cb -0.03 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.42 1rsu s LEU 109 CO 0.09 -0.12 0.11 -0.22 0.23 0.00 0.00 176.35 176.43 1rsu s LEU 110 N 1.68 4.18 -0.16 1.79 0.20 -0.24 -1.32 118.68 124.81 1rsu s LEU 110 Ca 0.04 -0.96 -0.04 0.00 0.69 0.00 0.00 54.13 53.86 1rsu s LEU 110 Cb -0.13 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1rsu s LEU 110 CO -0.07 -0.28 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.78 1rsu s THR 111 N 1.46 3.88 0.00 3.68 2.01 0.07 -1.05 115.64 125.69 1rsu s THR 111 Ca 0.00 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1rsu s THR 111 Cb -0.19 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1rsu s THR 111 CO 0.03 0.49 0.10 -0.44 -0.69 0.00 0.00 174.62 174.11 1rsu s SER 112 N 0.37 5.80 0.01 3.53 0.01 0.14 -1.48 113.70 122.07 1rsu s SER 112 Ca -0.04 0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.09 1rsu s SER 112 Cb -0.14 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 1rsu s SER 112 CO 0.03 0.26 1.35 -0.83 0.41 0.00 0.00 173.24 174.47 1rsu s GLY 113 N -1.82 1.95 0.31 3.44 0.00 -0.68 -4.78 107.32 105.75 1rsu s GLY 113 Ca 0.24 0.86 0.04 0.00 0.00 0.00 0.00 44.72 45.86 1rsu s GLY 113 CO 0.15 2.42 0.04 -0.51 0.00 0.00 0.00 173.10 175.20 1rsu s THR 114 N 2.14 1.22 0.74 0.90 -4.23 -1.26 -5.02 115.64 110.12 1rsu s THR 114 Ca 0.62 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1rsu s THR 114 Cb -0.31 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1rsu s THR 114 CO 0.26 -0.05 1.09 0.42 -0.54 0.00 0.00 174.62 175.81 1rsu s THR 115 N -3.28 3.39 0.37 3.99 -4.23 -1.26 -4.86 115.64 109.75 1rsu s THR 115 Ca 0.35 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1rsu s THR 115 Cb 0.08 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.90 1rsu s THR 115 CO 0.15 -0.59 1.92 -0.33 -0.54 0.00 0.00 174.62 175.23 1rsu h GLU 116 N -0.82 0.67 -0.42 3.99 4.39 -2.01 -1.72 114.58 118.67 1rsu h GLU 116 Ca -0.46 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 1rsu h GLU 116 Cb 1.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1rsu h GLU 116 CO 0.62 0.45 -0.14 0.00 -1.16 0.00 0.00 179.01 178.77 1rsu h ALA 117 N 1.61 0.96 -0.48 3.43 0.00 -2.06 -3.10 119.26 119.61 1rsu h ALA 117 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rsu h ALA 117 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rsu h ALA 117 CO -0.15 0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1rsu n ASN 118 N -4.15 2.61 0.29 0.00 5.03 -0.68 -4.40 115.26 113.95 1rsu n ASN 118 Ca 0.01 -2.01 0.19 0.00 0.87 0.00 0.00 54.58 53.64 1rsu n ASN 118 Cb 0.38 -0.33 1.01 0.00 -1.02 0.00 0.00 39.78 39.82 1rsu n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rsu h ALA 119 N 3.88 1.04 0.00 5.41 0.00 -1.38 -2.30 119.26 125.92 1rsu h ALA 119 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1rsu h ALA 119 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rsu h ALA 119 CO 0.00 -0.04 -0.26 0.11 0.00 0.00 0.00 179.25 179.07 1rsu h TRP 120 N 0.00 0.00 -0.61 0.00 5.08 -1.86 -2.54 115.95 116.02 1rsu h TRP 120 Ca 0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.70 1rsu h TRP 120 Cb 0.09 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.09 1rsu h TRP 120 CO 0.00 0.26 0.22 0.36 -1.28 0.00 0.00 178.44 178.00 1rsu n LYS 121 N -4.07 2.47 0.11 0.12 2.85 -0.86 -4.62 118.16 114.16 1rsu n LYS 121 Ca -0.02 -3.08 0.01 0.00 -1.05 0.00 0.00 58.31 54.17 1rsu n LYS 121 Cb 0.32 -2.01 -0.01 0.00 -0.65 0.00 0.00 35.03 32.68 1rsu n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rsu h SER 122 N 1.43 0.00 -3.30 -5.58 4.64 -1.55 -3.46 113.55 105.73 1rsu h SER 122 Ca 0.33 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.05 1rsu h SER 122 Cb 2.14 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.86 1rsu h SER 122 CO 0.66 0.59 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.50 1rsu s THR 123 N -2.91 1.53 0.10 2.95 2.01 -1.26 -0.68 115.64 117.37 1rsu s THR 123 Ca 0.03 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1rsu s THR 123 Cb 0.08 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1rsu s THR 123 CO 0.77 0.27 0.36 -0.76 -0.69 0.00 0.00 174.62 174.56 1rsu s LEU 124 N 1.47 4.31 0.03 4.42 1.43 -0.22 -4.92 118.68 125.20 1rsu s LEU 124 Ca 0.01 0.63 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1rsu s LEU 124 Cb -0.15 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1rsu s LEU 124 CO -0.09 0.13 -0.22 0.54 0.23 0.00 0.00 176.35 176.94 1rsu s VAL 125 N -1.51 1.75 0.00 -1.59 0.11 -1.26 -1.08 120.40 116.82 1rsu s VAL 125 Ca 0.36 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1rsu s VAL 125 Cb -0.13 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 1rsu s VAL 125 CO 0.21 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1rsu n GLY 126 N 2.06 1.92 3.20 6.54 0.00 -0.84 -5.01 105.19 113.05 1rsu n GLY 126 Ca -0.17 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1rsu n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1rsu s HIS 127 N -6.71 0.01 0.00 1.61 -3.43 -1.26 -0.91 115.29 104.60 1rsu s HIS 127 Ca 0.00 -0.21 -0.04 0.00 -0.80 0.00 0.00 55.06 54.02 1rsu s HIS 127 Cb 0.00 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1rsu s HIS 127 CO 0.00 -0.45 0.06 -0.51 -2.00 0.00 0.00 174.74 171.84 1rsu s ASP 128 N -2.08 0.09 -0.10 7.38 1.01 -0.82 -4.93 116.67 117.22 1rsu s ASP 128 Ca -0.05 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 52.98 1rsu s ASP 128 Cb -0.01 0.16 0.01 0.00 1.01 0.00 0.00 42.92 44.09 1rsu s ASP 128 CO -0.04 -0.29 -0.18 -0.89 0.21 0.00 0.00 175.17 173.99 1rsu s THR 129 N -1.18 1.62 -0.00 -1.27 2.01 -1.26 -1.25 115.64 114.31 1rsu s THR 129 Ca -0.13 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1rsu s THR 129 Cb -0.07 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1rsu s THR 129 CO 0.00 0.46 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.94 1rsu s PHE 130 N 0.69 2.82 0.22 4.92 0.40 -0.27 -3.55 117.98 123.20 1rsu s PHE 130 Ca -0.13 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1rsu s PHE 130 Cb -0.16 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1rsu s PHE 130 CO 0.03 0.33 0.04 0.95 0.70 0.00 0.00 175.22 177.27 1rsu s THR 131 N -0.94 0.70 -0.46 0.64 -4.23 0.23 -1.28 115.64 110.31 1rsu s THR 131 Ca 0.16 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.90 1rsu s THR 131 Cb -0.11 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.62 1rsu s THR 131 CO 0.06 -0.26 1.53 0.11 -0.54 0.00 0.00 174.62 175.52 1rsu h LYS 132 N 2.53 0.00 -5.45 3.99 1.57 -1.81 0.19 116.57 117.58 1rsu h LYS 132 Ca -0.38 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.78 1rsu h LYS 132 Cb 1.22 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.44 1rsu h LYS 132 CO 0.62 0.00 -0.46 0.08 -0.57 0.00 0.00 179.45 179.12 1rsu s VAL 133 N -3.22 5.43 0.41 0.50 1.01 -1.26 -4.85 120.40 118.42 1rsu s VAL 133 Ca 0.06 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 1rsu s VAL 133 Cb 0.07 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 1rsu s VAL 133 CO 0.68 0.51 1.27 0.29 0.00 0.00 0.00 175.10 177.85 1rsu n LYS 134 N 2.89 1.96 0.00 2.72 5.02 -1.26 -4.75 118.16 124.74 1rsu n LYS 134 Ca -0.17 0.69 0.07 0.00 -2.02 0.00 0.00 58.31 56.88 1rsu n LYS 134 Cb 0.53 -2.38 0.42 0.00 -0.02 0.00 0.00 35.03 33.59 1rsu n LYS 134 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58