#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtf h GLU 14 N 0.00 -0.41 -0.83 0.00 -0.00 -1.89 -0.84 114.58 110.62 2rtf h GLU 14 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 59.36 59.45 2rtf h GLU 14 Cb 0.00 0.09 -0.06 0.00 -0.00 0.00 0.00 28.75 28.78 2rtf h GLU 14 CO 0.00 -0.28 0.51 0.00 -0.00 0.00 0.00 179.01 179.24 2rtf h ALA 15 N 0.26 1.13 -0.37 1.06 0.00 -1.93 0.11 119.26 119.52 2rtf h ALA 15 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2rtf h ALA 15 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2rtf h ALA 15 CO 0.06 0.25 -0.09 0.78 0.00 0.00 0.00 179.25 180.25 2rtf h GLY 16 N 0.93 0.69 1.11 0.00 0.00 -1.95 -3.11 103.07 100.73 2rtf h GLY 16 Ca 0.36 -0.48 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 2rtf h GLY 16 CO -0.17 0.44 -1.16 -2.22 0.00 0.00 0.00 176.54 173.43 2rtf h ILE 17 N 0.59 1.33 -2.11 2.60 2.04 -0.21 -3.46 117.51 118.30 2rtf h ILE 17 Ca 0.11 -2.48 -0.63 0.00 1.00 0.00 0.00 64.86 62.86 2rtf h ILE 17 Cb 0.50 2.83 0.07 0.00 -0.74 0.00 0.00 36.82 39.48 2rtf h ILE 17 CO 0.03 0.74 0.46 0.41 0.00 0.00 0.00 178.15 179.79 2rtf n THR 18 N -3.87 0.60 -1.55 -0.27 -1.04 0.29 -4.81 114.28 103.62 2rtf n THR 18 Ca -0.14 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2rtf n THR 18 Cb 0.95 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 2rtf n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtf n GLY 19 N 2.34 0.13 3.56 3.41 0.00 -0.77 -4.95 105.19 108.90 2rtf n GLY 19 Ca 0.15 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 2rtf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtf s THR 20 N -2.48 3.75 0.07 2.61 2.01 -1.26 -1.57 115.64 118.77 2rtf s THR 20 Ca 0.00 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2rtf s THR 20 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2rtf s THR 20 CO 0.00 0.57 -0.10 0.26 -0.69 0.00 0.00 174.62 174.67 2rtf s TRP 21 N -0.51 0.95 0.09 4.92 0.52 0.53 -1.75 118.94 123.69 2rtf s TRP 21 Ca 0.08 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.64 2rtf s TRP 21 Cb -0.12 -0.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.63 2rtf s TRP 21 CO 0.02 -0.03 -0.09 0.71 0.02 0.00 0.00 176.95 177.58 2rtf s TYR 22 N -1.98 0.96 0.43 -1.98 2.02 -0.49 -1.34 117.35 114.98 2rtf s TYR 22 Ca -0.00 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.06 2rtf s TYR 22 Cb -0.06 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2rtf s TYR 22 CO 0.00 -0.05 0.02 0.54 -1.57 0.00 0.00 175.55 174.50 2rtf s ASN 23 N -2.42 3.68 0.41 2.29 2.20 -1.01 -0.40 114.94 119.69 2rtf s ASN 23 Ca 0.04 -1.48 0.20 0.00 -0.94 0.00 0.00 52.86 50.68 2rtf s ASN 23 Cb -0.02 -0.02 1.07 0.00 -2.00 0.00 0.00 41.25 40.27 2rtf s ASN 23 CO -0.01 -0.62 1.54 0.06 -2.94 0.00 0.00 177.10 175.13 2rtf h GLN 24 N 1.69 0.00 0.00 3.55 -0.00 -1.92 0.16 115.11 118.60 2rtf h GLN 24 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2rtf h GLN 24 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2rtf h GLN 24 CO 0.76 0.00 -1.00 1.28 -0.00 0.00 0.00 178.83 179.87 2rtf n LEU 25 N -2.32 0.74 0.00 0.06 4.77 -1.26 -4.94 117.00 114.05 2rtf n LEU 25 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2rtf n LEU 25 Cb 0.27 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2rtf n LEU 25 CO 0.09 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 2rtf n GLY 26 N 1.24 1.15 3.87 -0.72 0.00 0.05 -4.78 105.19 105.99 2rtf n GLY 26 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2rtf n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtf s SER 27 N -2.00 6.64 -0.07 1.61 0.01 -1.26 -4.53 113.70 114.10 2rtf s SER 27 Ca 0.00 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.33 2rtf s SER 27 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2rtf s SER 27 CO 0.00 -0.20 -0.05 -0.89 0.41 0.00 0.00 173.24 172.51 2rtf s THR 28 N -2.02 3.83 -0.11 1.44 2.01 0.30 -2.39 115.64 118.69 2rtf s THR 28 Ca 0.50 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 2rtf s THR 28 Cb -0.11 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.86 2rtf s THR 28 CO 0.23 0.60 -0.03 0.12 -0.69 0.00 0.00 174.62 174.85 2rtf s PHE 29 N -0.78 1.11 -0.18 4.92 5.36 -0.45 -1.08 117.98 126.88 2rtf s PHE 29 Ca 0.12 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 55.51 2rtf s PHE 29 Cb -0.11 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 2rtf s PHE 29 CO 0.02 -0.46 -0.12 0.42 -1.46 0.00 0.00 175.22 173.61 2rtf s ILE 30 N 1.83 2.82 0.06 3.12 1.01 -0.83 -0.35 121.20 128.86 2rtf s ILE 30 Ca 0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2rtf s ILE 30 Cb -0.13 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2rtf s ILE 30 CO -0.07 0.49 0.07 0.54 0.00 0.00 0.00 174.94 175.97 2rtf s VAL 31 N 1.15 0.17 -0.05 2.92 0.11 -0.61 -1.98 120.40 122.10 2rtf s VAL 31 Ca 0.01 -1.39 0.03 0.00 -2.93 0.00 0.00 61.98 57.71 2rtf s VAL 31 Cb -0.14 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2rtf s VAL 31 CO -0.04 -0.76 -0.14 -0.89 -3.33 0.00 0.00 175.10 169.94 2rtf s THR 32 N -3.45 1.21 -0.20 5.04 2.01 -0.39 -1.85 115.64 118.01 2rtf s THR 32 Ca 0.02 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2rtf s THR 32 Cb 0.04 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2rtf s THR 32 CO -0.08 0.36 0.05 0.00 -0.69 0.00 0.00 174.62 174.26 2rtf s ALA 33 N 0.37 3.23 0.33 7.40 0.00 -1.26 -2.06 121.76 129.78 2rtf s ALA 33 Ca -0.09 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2rtf s ALA 33 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 2rtf s ALA 33 CO 0.03 -0.08 0.51 0.20 0.00 0.00 0.00 175.76 176.41 2rtf s GLY 34 N 0.87 1.38 0.59 0.00 0.00 0.62 -4.77 107.32 106.01 2rtf s GLY 34 Ca 0.03 -1.11 0.29 0.00 0.00 0.00 0.00 44.72 43.93 2rtf s GLY 34 CO 0.02 -1.05 2.10 0.00 0.00 0.00 0.00 173.10 174.18 2rtf h ALA 35 N 0.82 1.77 -0.05 3.20 0.00 -1.99 -1.67 119.26 121.34 2rtf h ALA 35 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2rtf h ALA 35 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2rtf h ALA 35 CO 0.59 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 2rtf n ASP 36 N -3.76 0.64 0.00 0.00 5.68 -1.26 -4.87 116.55 112.98 2rtf n ASP 36 Ca 0.01 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 2rtf n ASP 36 Cb 0.32 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2rtf n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtf n GLY 37 N 0.97 0.83 3.90 6.12 0.00 -0.63 -4.96 105.19 111.42 2rtf n GLY 37 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2rtf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtf s ALA 38 N -2.06 3.52 -0.03 4.61 0.00 -1.23 -0.56 121.76 126.01 2rtf s ALA 38 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.47 2rtf s ALA 38 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2rtf s ALA 38 CO 0.00 0.03 -0.02 -0.51 0.00 0.00 0.00 175.76 175.26 2rtf s LEU 39 N -3.94 1.43 0.02 0.00 1.43 -0.50 -0.28 118.68 116.84 2rtf s LEU 39 Ca 0.46 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2rtf s LEU 39 Cb -0.10 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 2rtf s LEU 39 CO 0.34 -0.05 0.04 0.28 0.23 0.00 0.00 176.35 177.19 2rtf s THR 40 N 0.69 0.11 -2.17 5.49 -1.32 -0.87 -1.15 115.64 116.42 2rtf s THR 40 Ca -0.08 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2rtf s THR 40 Cb -0.11 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2rtf s THR 40 CO -0.01 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 2rtf n GLY 41 N 1.30 -0.55 3.18 6.08 0.00 -0.81 -1.26 105.19 113.14 2rtf n GLY 41 Ca -0.22 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 2rtf n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtf s THR 42 N -3.11 0.91 0.01 2.61 -4.23 -0.84 -1.30 115.64 109.70 2rtf s THR 42 Ca 0.00 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2rtf s THR 42 Cb 0.00 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 2rtf s THR 42 CO 0.00 -0.63 -0.08 -0.47 -0.54 0.00 0.00 174.62 172.90 2rtf s TYR 43 N -2.73 0.69 -0.09 3.99 6.14 0.26 -1.96 117.35 123.65 2rtf s TYR 43 Ca 0.07 -0.23 -0.00 0.00 0.64 0.00 0.00 57.07 57.55 2rtf s TYR 43 Cb -0.01 -0.43 0.02 0.00 0.42 0.00 0.00 41.96 41.97 2rtf s TYR 43 CO -0.01 -0.02 -0.05 -2.00 0.64 0.00 0.00 175.55 174.11 2rtf s GLU 44 N -0.61 1.18 -0.03 4.97 2.12 -0.24 -1.27 118.70 124.82 2rtf s GLU 44 Ca -0.00 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 2rtf s GLU 44 Cb -0.05 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 2rtf s GLU 44 CO 0.00 -0.22 0.12 0.45 -0.54 0.00 0.00 175.26 175.07 2rtf s SER 45 N 1.58 6.03 0.30 -1.70 0.15 -1.26 -0.54 113.70 118.26 2rtf s SER 45 Ca 0.01 0.28 0.23 0.00 0.70 0.00 0.00 55.95 57.17 2rtf s SER 45 Cb -0.13 -1.84 0.17 0.00 -1.71 0.00 0.00 66.02 62.52 2rtf s SER 45 CO -0.05 0.30 1.31 0.00 1.20 0.00 0.00 173.24 176.00 2rtf h ALA 46 N 4.23 0.73 -2.10 5.45 0.00 -1.86 -3.46 119.26 122.24 2rtf h ALA 46 Ca -0.50 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 53.95 2rtf h ALA 46 Cb 1.19 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2rtf h ALA 46 CO 0.63 0.00 -0.66 0.14 0.00 0.00 0.00 179.25 179.36 2rtf s VAL 47 N -3.29 1.42 0.00 0.00 -7.23 -1.26 -5.04 120.40 105.00 2rtf s VAL 47 Ca 0.03 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2rtf s VAL 47 Cb 0.08 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2rtf s VAL 47 CO 0.73 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 2rtf n GLY 48 N -0.56 -2.55 3.22 2.32 0.00 -1.26 -4.60 105.19 101.76 2rtf n GLY 48 Ca -0.05 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2rtf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtf n ASN 49 N 0.07 5.35 -3.76 1.61 5.15 -1.26 -4.88 115.26 117.54 2rtf n ASN 49 Ca 0.00 -3.07 -0.12 0.00 -0.60 0.00 0.00 54.58 50.78 2rtf n ASN 49 Cb 0.00 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 37.68 2rtf n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtf s ALA 50 N 0.36 -0.71 -0.27 5.20 0.00 -1.26 -4.60 121.76 120.48 2rtf s ALA 50 Ca 0.39 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 2rtf s ALA 50 Cb 0.01 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.40 2rtf s ALA 50 CO 0.00 -0.33 0.70 -1.83 0.00 0.00 0.00 175.76 174.30 2rtf s GLU 51 N -1.93 0.78 2.12 0.00 -1.05 -1.26 -5.00 118.70 112.36 2rtf s GLU 51 Ca -0.09 1.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 2rtf s GLU 51 Cb -0.03 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2rtf s GLU 51 CO 0.00 -0.12 0.00 0.45 0.95 0.00 0.00 175.26 176.55 2rtf n SER 52 N 3.35 -1.08 -4.93 0.83 2.88 -1.26 -4.78 113.62 108.62 2rtf n SER 52 Ca -0.16 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.12 2rtf n SER 52 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 2rtf n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtf s ARG 53 N 0.00 3.51 0.05 -1.46 0.52 -1.26 -4.58 118.95 115.73 2rtf s ARG 53 Ca 0.00 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 2rtf s ARG 53 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 2rtf s ARG 53 CO 0.00 0.31 -0.12 0.71 0.02 0.00 0.00 175.30 176.23 2rtf s TYR 54 N -2.03 1.01 0.36 -0.53 1.51 -0.40 -4.89 117.35 112.38 2rtf s TYR 54 Ca 0.39 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 2rtf s TYR 54 Cb -0.10 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 2rtf s TYR 54 CO 0.31 0.01 1.02 0.08 -1.11 0.00 0.00 175.55 175.86 2rtf s VAL 55 N -1.12 3.85 0.06 0.71 1.01 -1.26 -0.58 120.40 123.07 2rtf s VAL 55 Ca -0.03 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2rtf s VAL 55 Cb -0.09 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2rtf s VAL 55 CO 0.01 0.09 -0.10 -1.48 0.00 0.00 0.00 175.10 173.62 2rtf s LEU 56 N -2.32 2.29 0.00 3.92 0.05 -0.42 -4.46 118.68 117.73 2rtf s LEU 56 Ca 0.54 -0.61 -0.05 0.00 0.05 0.00 0.00 54.13 54.06 2rtf s LEU 56 Cb -0.22 -0.27 -0.00 0.00 -2.05 0.00 0.00 46.19 43.64 2rtf s LEU 56 CO 0.28 -0.18 0.09 0.28 -0.55 0.00 0.00 176.35 176.26 2rtf s THR 57 N -1.54 0.08 0.00 5.48 -1.32 -1.12 -1.92 115.64 115.30 2rtf s THR 57 Ca -0.05 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2rtf s THR 57 Cb -0.09 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 2rtf s THR 57 CO 0.01 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 2rtf n GLY 58 N 1.69 1.34 3.20 6.08 0.00 -0.30 -1.02 105.19 116.17 2rtf n GLY 58 Ca -0.22 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2rtf n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtf s ARG 59 N -1.79 0.83 0.24 1.61 1.81 -1.00 -1.41 118.95 119.23 2rtf s ARG 59 Ca 0.00 -1.00 -0.06 0.00 -1.72 0.00 0.00 55.73 52.95 2rtf s ARG 59 Cb 0.00 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.81 2rtf s ARG 59 CO 0.00 -0.26 0.31 1.52 -0.68 0.00 0.00 175.30 176.19 2rtf s TYR 60 N -3.87 0.84 -0.80 -0.53 1.13 0.28 -2.43 117.35 111.97 2rtf s TYR 60 Ca 0.06 -1.11 -0.21 0.00 -1.41 0.00 0.00 57.07 54.40 2rtf s TYR 60 Cb 0.05 -0.21 0.09 0.00 -1.10 0.00 0.00 41.96 40.79 2rtf s TYR 60 CO -0.10 -0.84 1.06 0.34 -2.51 0.00 0.00 175.55 173.50 2rtf s ASP 61 N -3.12 6.38 0.39 -0.18 3.68 -0.77 -4.68 116.67 118.38 2rtf s ASP 61 Ca 0.31 -1.46 0.14 0.00 2.13 0.00 0.00 52.55 53.67 2rtf s ASP 61 Cb 0.03 -2.42 0.98 0.00 -1.45 0.00 0.00 42.92 40.06 2rtf s ASP 61 CO 0.12 -1.29 1.85 0.77 0.13 0.00 0.00 175.17 176.75 2rtf h SER 62 N 9.28 0.51 -3.65 -0.34 4.64 -1.91 -3.05 113.55 119.03 2rtf h SER 62 Ca -0.07 0.05 -0.70 0.00 -0.47 0.00 0.00 61.79 60.61 2rtf h SER 62 Cb 1.05 -0.04 -0.36 0.00 -0.31 0.00 0.00 62.40 62.73 2rtf h SER 62 CO 1.17 0.21 -0.23 0.00 -0.87 0.00 0.00 176.83 177.10 2rtf s ALA 63 N -5.54 3.96 0.97 5.18 0.00 -1.26 -4.86 121.76 120.21 2rtf s ALA 63 Ca -0.09 -3.62 0.00 0.00 0.00 0.00 0.00 51.96 48.25 2rtf s ALA 63 Cb 0.23 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2rtf s ALA 63 CO 0.79 -2.13 0.00 -0.35 0.00 0.00 0.00 175.76 174.06 2rtf n PRO 64 N 2.75 1.28 -4.17 0.00 -0.04 -1.15 -5.05 135.00 128.62 2rtf n PRO 64 Ca 0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 2rtf n PRO 64 Cb 0.37 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.74 2rtf n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rtf s ALA 65 N -2.03 3.15 -1.31 0.55 0.00 -1.26 -5.02 121.76 115.84 2rtf s ALA 65 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2rtf s ALA 65 Cb 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 23.12 22.17 2rtf s ALA 65 CO 0.00 0.66 1.79 0.25 0.00 0.00 0.00 175.76 178.46 2rtf n THR 66 N 0.58 4.00 -3.25 0.00 -2.24 -1.26 -4.72 114.28 107.39 2rtf n THR 66 Ca -0.12 -4.10 -0.03 0.00 -2.27 0.00 0.00 64.05 57.54 2rtf n THR 66 Cb 0.52 -2.44 0.01 0.00 -2.10 0.00 0.00 70.33 66.32 2rtf n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtf n ASP 67 N 6.30 -0.71 -3.40 3.42 5.68 -1.26 -5.01 116.55 121.57 2rtf n ASP 67 Ca 0.45 -1.50 -0.39 0.00 -0.50 0.00 0.00 54.79 52.85 2rtf n ASP 67 Cb 0.42 1.19 -0.01 0.00 -1.14 0.00 0.00 41.12 41.58 2rtf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtf n GLY 68 N -0.17 5.20 3.68 6.12 0.00 -1.26 -4.88 105.19 113.89 2rtf n GLY 68 Ca -0.03 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 2rtf n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtf s SER 69 N 0.26 4.76 0.61 1.61 0.01 -1.26 -5.12 113.70 114.57 2rtf s SER 69 Ca 0.54 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 2rtf s SER 69 Cb 0.20 -0.97 0.04 0.00 0.21 0.00 0.00 66.02 65.50 2rtf s SER 69 CO -0.11 0.01 0.88 -0.83 0.41 0.00 0.00 173.24 173.59 2rtf s GLY 70 N -3.59 1.76 -0.24 3.44 0.00 -1.26 -4.91 107.32 102.52 2rtf s GLY 70 Ca 0.31 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 2rtf s GLY 70 CO 0.21 -0.80 0.13 -1.59 0.00 0.00 0.00 173.10 171.05 2rtf s THR 71 N -2.97 5.09 0.39 0.90 2.01 0.01 -4.79 115.64 116.29 2rtf s THR 71 Ca 0.58 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 2rtf s THR 71 Cb -0.10 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 2rtf s THR 71 CO 0.41 0.35 0.90 0.00 -0.69 0.00 0.00 174.62 175.60 2rtf s ALA 72 N 1.11 3.12 0.32 7.40 0.00 -1.26 -0.87 121.76 131.57 2rtf s ALA 72 Ca 0.06 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 2rtf s ALA 72 Cb -0.14 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.95 2rtf s ALA 72 CO 0.05 0.18 0.76 -0.48 0.00 0.00 0.00 175.76 176.27 2rtf s LEU 73 N -3.01 -0.14 -0.01 0.00 2.34 -0.86 -1.84 118.68 115.15 2rtf s LEU 73 Ca 0.59 -0.82 -0.29 0.00 0.06 0.00 0.00 54.13 53.67 2rtf s LEU 73 Cb -0.10 2.75 0.10 0.00 -0.56 0.00 0.00 46.19 48.37 2rtf s LEU 73 CO 0.15 -1.46 0.90 -0.83 -1.06 0.00 0.00 176.35 174.05 2rtf s GLY 74 N -2.99 -0.45 0.21 -3.48 0.00 -1.02 -2.10 107.32 97.49 2rtf s GLY 74 Ca 0.13 1.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.66 2rtf s GLY 74 CO 0.09 0.33 0.60 0.66 0.00 0.00 0.00 173.10 174.77 2rtf s TRP 75 N -3.10 -0.25 0.06 1.90 -2.14 -0.74 -2.38 118.94 112.28 2rtf s TRP 75 Ca 0.05 -0.08 0.06 0.00 2.66 0.00 0.00 56.10 58.78 2rtf s TRP 75 Cb -0.01 0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 30.85 2rtf s TRP 75 CO -0.09 -0.98 -0.15 0.99 -2.66 0.00 0.00 176.95 174.06 2rtf s THR 76 N -3.85 1.23 -0.04 0.66 2.01 -0.19 -1.41 115.64 114.05 2rtf s THR 76 Ca 0.07 -1.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 2rtf s THR 76 Cb -0.02 -1.13 0.03 0.00 0.01 0.00 0.00 72.50 71.39 2rtf s THR 76 CO -0.03 -0.05 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.16 2rtf s VAL 77 N -1.00 0.27 -0.20 3.82 1.01 -0.81 -2.78 120.40 120.71 2rtf s VAL 77 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2rtf s VAL 77 Cb -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2rtf s VAL 77 CO 0.02 0.19 0.07 0.00 0.00 0.00 0.00 175.10 175.38 2rtf s ALA 78 N 1.28 3.36 -1.53 5.51 0.00 -1.26 -0.76 121.76 128.37 2rtf s ALA 78 Ca -0.06 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2rtf s ALA 78 Cb -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2rtf s ALA 78 CO -0.02 0.01 2.67 0.91 0.00 0.00 0.00 175.76 179.33 2rtf n TRP 79 N 3.89 2.69 -4.01 0.00 7.02 -0.32 -4.81 117.44 121.90 2rtf n TRP 79 Ca -0.16 -3.01 -0.16 0.00 -1.02 0.00 0.00 57.50 53.14 2rtf n TRP 79 Cb 0.52 -2.37 -0.15 0.00 -2.42 0.00 0.00 31.31 26.89 2rtf n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtf s LYS 80 N 1.72 0.35 0.04 -0.99 2.20 -1.26 -0.74 119.74 121.06 2rtf s LYS 80 Ca 0.61 -0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.19 2rtf s LYS 80 Cb 0.17 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 2rtf s LYS 80 CO -0.07 -0.04 0.07 0.27 -0.36 0.00 0.00 175.35 175.22 2rtf n ASN 81 N 3.65 -0.19 0.00 1.43 0.23 0.10 -4.84 115.26 115.64 2rtf n ASN 81 Ca -0.21 -1.20 0.07 0.00 -0.53 0.00 0.00 54.58 52.71 2rtf n ASN 81 Cb 0.54 0.33 0.34 0.00 -2.08 0.00 0.00 39.78 38.91 2rtf n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtf n ASN 82 N -1.74 0.00 -0.05 0.53 5.03 -1.26 -3.50 115.26 114.27 2rtf n ASN 82 Ca -0.00 0.30 -0.07 0.00 0.87 0.00 0.00 54.58 55.68 2rtf n ASN 82 Cb 0.07 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.37 2rtf n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rtf n TYR 83 N -1.40 0.00 -4.05 3.10 4.01 -1.26 -5.06 117.16 112.50 2rtf n TYR 83 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 2rtf n TYR 83 Cb 0.14 -0.44 -0.10 0.00 -0.31 0.00 0.00 39.34 38.63 2rtf n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rtf s ARG 84 N -2.23 0.49 -0.24 -0.72 0.52 -1.23 -5.07 118.95 110.48 2rtf s ARG 84 Ca -0.12 -0.97 -0.03 0.00 -0.52 0.00 0.00 55.73 54.09 2rtf s ARG 84 Cb 0.04 0.16 0.08 0.00 0.52 0.00 0.00 34.95 35.74 2rtf s ARG 84 CO 0.30 -0.08 0.08 1.21 0.02 0.00 0.00 175.30 176.82 2rtf s ASN 85 N -2.33 3.20 0.00 0.23 3.84 -1.26 -0.73 114.94 117.89 2rtf s ASN 85 Ca -0.02 -1.06 0.24 0.00 0.21 0.00 0.00 52.86 52.22 2rtf s ASN 85 Cb 0.01 -0.55 0.23 0.00 -0.55 0.00 0.00 41.25 40.39 2rtf s ASN 85 CO -0.06 -0.36 1.24 0.00 -2.79 0.00 0.00 177.10 175.12 2rtf n ALA 86 N 5.08 3.31 -3.51 1.71 0.00 0.08 -4.98 120.51 122.20 2rtf n ALA 86 Ca -0.07 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 2rtf n ALA 86 Cb 0.45 -0.89 0.06 0.00 0.00 0.00 0.00 19.45 19.08 2rtf n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtf n HIS 87 N -0.02 -2.12 -3.86 0.00 -0.00 -1.26 -4.87 115.22 103.09 2rtf n HIS 87 Ca 0.11 0.82 -0.09 0.00 -0.00 0.00 0.00 57.72 58.56 2rtf n HIS 87 Cb 0.45 -4.40 -0.04 0.00 -0.00 0.00 0.00 29.99 26.00 2rtf n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2rtf s SER 88 N -4.01 -0.20 0.00 0.41 1.04 -1.26 -1.73 113.70 107.95 2rtf s SER 88 Ca 0.17 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 2rtf s SER 88 Cb -0.04 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2rtf s SER 88 CO 0.78 -1.17 0.28 0.00 0.98 0.00 0.00 173.24 174.11 2rtf s ALA 89 N -3.94 -0.69 0.03 5.32 0.00 -0.25 -1.17 121.76 121.07 2rtf s ALA 89 Ca 0.14 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2rtf s ALA 89 Cb -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2rtf s ALA 89 CO 0.04 -0.29 -0.16 0.99 0.00 0.00 0.00 175.76 176.34 2rtf s THR 90 N -1.61 1.31 0.00 0.00 2.01 0.06 -1.06 115.64 116.34 2rtf s THR 90 Ca -0.12 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 60.93 2rtf s THR 90 Cb -0.05 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2rtf s THR 90 CO 0.02 0.12 -0.17 0.42 -0.69 0.00 0.00 174.62 174.33 2rtf s THR 91 N -0.75 1.33 -0.10 -0.82 -4.23 -0.19 -1.93 115.64 108.95 2rtf s THR 91 Ca 0.04 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2rtf s THR 91 Cb -0.08 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 2rtf s THR 91 CO 0.01 0.31 -0.20 0.26 -0.54 0.00 0.00 174.62 174.46 2rtf s TRP 92 N -0.50 2.65 -0.06 3.99 0.51 -0.50 -1.55 118.94 123.48 2rtf s TRP 92 Ca 0.06 -0.82 0.04 0.00 -2.12 0.00 0.00 56.10 53.26 2rtf s TRP 92 Cb -0.07 -1.74 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 2rtf s TRP 92 CO -0.00 -0.29 -0.17 0.45 -0.51 0.00 0.00 176.95 176.43 2rtf s SER 93 N 0.23 2.21 0.00 2.95 0.15 -0.40 -1.80 113.70 117.04 2rtf s SER 93 Ca -0.13 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2rtf s SER 93 Cb -0.16 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2rtf s SER 93 CO 0.07 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2rtf n GLY 94 N 3.40 0.94 3.08 9.45 0.00 -0.89 -1.33 105.19 119.83 2rtf n GLY 94 Ca -0.20 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2rtf n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rtf s GLN 95 N 1.03 0.58 -0.16 1.61 -0.21 -0.47 -2.03 119.66 120.00 2rtf s GLN 95 Ca 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 55.36 54.44 2rtf s GLN 95 Cb 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 2rtf s GLN 95 CO 0.00 0.02 0.05 -0.47 -2.12 0.00 0.00 175.29 172.78 2rtf s TYR 96 N -1.93 3.25 -0.19 0.91 5.04 -0.05 -1.56 117.35 122.82 2rtf s TYR 96 Ca -0.05 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 2rtf s TYR 96 Cb -0.06 -2.02 0.04 0.00 0.35 0.00 0.00 41.96 40.27 2rtf s TYR 96 CO -0.01 0.23 -0.09 0.08 -1.34 0.00 0.00 175.55 174.42 2rtf s VAL 97 N 0.07 1.51 0.00 3.14 1.01 -0.41 -0.81 120.40 124.92 2rtf s VAL 97 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2rtf s VAL 97 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2rtf s VAL 97 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2rtf n GLY 98 N 4.74 0.97 0.00 4.51 0.00 -1.26 -1.13 105.19 113.01 2rtf n GLY 98 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2rtf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtf n GLY 99 N 5.00 0.71 0.14 -0.02 0.00 -1.26 -4.62 105.19 105.15 2rtf n GLY 99 Ca 0.00 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 2rtf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtf h ALA 100 N 0.00 0.22 -3.01 4.61 0.00 -2.06 -3.35 119.26 115.67 2rtf h ALA 100 Ca 0.00 -0.37 -0.71 0.00 0.00 0.00 0.00 54.91 53.84 2rtf h ALA 100 Cb 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.42 2rtf h ALA 100 CO 0.00 0.17 -0.44 -1.21 0.00 0.00 0.00 179.25 177.76 2rtf s GLU 101 N -4.15 2.30 0.17 0.00 2.02 -1.26 -5.06 118.70 112.73 2rtf s GLU 101 Ca -0.14 -2.00 -0.15 0.00 0.02 0.00 0.00 54.97 52.71 2rtf s GLU 101 Cb 0.05 -3.73 -0.07 0.00 0.10 0.00 0.00 34.13 30.48 2rtf s GLU 101 CO 0.77 -1.14 0.58 0.00 0.02 0.00 0.00 175.26 175.50 2rtf s ALA 102 N 0.88 3.54 0.05 5.21 0.00 -1.26 -4.83 121.76 125.35 2rtf s ALA 102 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 2rtf s ALA 102 Cb -0.23 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2rtf s ALA 102 CO -0.03 0.43 0.02 1.03 0.00 0.00 0.00 175.76 177.21 2rtf s ARG 103 N -2.08 0.62 -0.16 0.00 1.81 -0.28 -3.62 118.95 115.23 2rtf s ARG 103 Ca 0.40 -1.07 -0.01 0.00 -1.72 0.00 0.00 55.73 53.34 2rtf s ARG 103 Cb -0.15 0.22 0.04 0.00 -0.45 0.00 0.00 34.95 34.62 2rtf s ARG 103 CO 0.20 -0.13 -0.05 0.42 -0.68 0.00 0.00 175.30 175.06 2rtf s ILE 104 N -3.53 1.02 -0.22 1.52 1.01 -1.02 -1.29 121.20 118.69 2rtf s ILE 104 Ca 0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2rtf s ILE 104 Cb 0.05 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2rtf s ILE 104 CO -0.09 0.14 0.07 0.20 0.00 0.00 0.00 174.94 175.26 2rtf s ASN 105 N 1.68 5.36 0.22 3.58 0.01 -0.60 -0.72 114.94 124.47 2rtf s ASN 105 Ca 0.01 -0.07 -0.00 0.00 -0.71 0.00 0.00 52.86 52.09 2rtf s ASN 105 Cb -0.15 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 2rtf s ASN 105 CO -0.08 0.07 0.11 0.42 -1.51 0.00 0.00 177.10 176.11 2rtf s THR 106 N 1.00 0.23 0.05 1.60 -4.23 -0.33 -1.37 115.64 112.59 2rtf s THR 106 Ca 0.04 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2rtf s THR 106 Cb -0.14 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2rtf s THR 106 CO 0.03 -0.04 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.84 2rtf s GLN 107 N -4.10 0.76 0.09 3.99 -0.21 -0.44 -1.85 119.66 117.90 2rtf s GLN 107 Ca 0.37 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.97 2rtf s GLN 107 Cb 0.07 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 2rtf s GLN 107 CO 0.12 0.16 -0.04 1.67 -2.12 0.00 0.00 175.29 175.08 2rtf s TRP 108 N -1.08 0.81 -0.09 0.91 1.48 0.48 -1.27 118.94 120.18 2rtf s TRP 108 Ca -0.02 -0.99 0.01 0.00 -1.06 0.00 0.00 56.10 54.04 2rtf s TRP 108 Cb -0.09 -0.49 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 2rtf s TRP 108 CO 0.01 -0.24 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.03 2rtf s LEU 109 N -3.02 1.56 -0.32 -4.66 1.43 -0.59 -2.28 118.68 110.80 2rtf s LEU 109 Ca 0.12 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2rtf s LEU 109 Cb 0.06 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.44 2rtf s LEU 109 CO -0.05 -0.01 0.03 -0.22 0.23 0.00 0.00 176.35 176.33 2rtf s LEU 110 N 1.01 4.12 -0.14 1.79 0.20 -0.39 -1.02 118.68 124.24 2rtf s LEU 110 Ca -0.08 -1.43 -0.05 0.00 0.69 0.00 0.00 54.13 53.27 2rtf s LEU 110 Cb -0.15 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2rtf s LEU 110 CO -0.01 -0.30 0.01 -0.89 -0.29 0.00 0.00 176.35 174.87 2rtf s THR 111 N 1.21 4.37 0.06 3.68 2.01 -0.23 -0.95 115.64 125.79 2rtf s THR 111 Ca -0.03 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2rtf s THR 111 Cb -0.20 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2rtf s THR 111 CO -0.02 0.52 0.07 -0.44 -0.69 0.00 0.00 174.62 174.06 2rtf s SER 112 N -0.01 5.51 0.03 3.53 0.01 -0.38 -1.09 113.70 121.30 2rtf s SER 112 Ca 0.04 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 2rtf s SER 112 Cb -0.13 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 2rtf s SER 112 CO 0.02 0.20 1.00 -0.83 0.41 0.00 0.00 173.24 174.03 2rtf s GLY 113 N -2.20 2.89 0.29 3.44 0.00 -0.70 -4.83 107.32 106.20 2rtf s GLY 113 Ca 0.27 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.61 2rtf s GLY 113 CO 0.19 1.67 0.13 -1.30 0.00 0.00 0.00 173.10 173.80 2rtf n THR 114 N 3.62 0.00 -2.37 0.90 -2.24 -1.26 -5.05 114.28 107.89 2rtf n THR 114 Ca 0.05 -1.76 -0.26 0.00 -2.27 0.00 0.00 64.05 59.81 2rtf n THR 114 Cb 0.50 0.70 0.04 0.00 -2.10 0.00 0.00 70.33 69.47 2rtf n THR 114 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rtf s THR 115 N -2.76 3.29 0.35 4.28 -4.23 -1.26 -4.92 115.64 110.38 2rtf s THR 115 Ca 0.19 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 2rtf s THR 115 Cb 0.01 -3.33 0.16 0.00 1.34 0.00 0.00 72.50 70.68 2rtf s THR 115 CO 0.13 -0.33 1.88 -0.08 -0.54 0.00 0.00 174.62 175.68 2rtf h GLU 116 N -0.26 0.44 -0.84 3.99 4.81 -2.01 -2.42 114.58 118.29 2rtf h GLU 116 Ca -0.45 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2rtf h GLU 116 Cb 1.27 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2rtf h GLU 116 CO 0.60 0.50 0.52 0.00 -0.73 0.00 0.00 179.01 179.90 2rtf h ALA 117 N 1.54 1.07 -0.57 2.92 0.00 -2.06 -3.00 119.26 119.15 2rtf h ALA 117 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rtf h ALA 117 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rtf h ALA 117 CO 0.01 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.88 2rtf n ASN 118 N -4.44 5.25 0.24 0.00 3.02 -0.94 -4.44 115.26 113.95 2rtf n ASN 118 Ca 0.09 -2.75 0.09 0.00 -0.03 0.00 0.00 54.58 51.98 2rtf n ASN 118 Cb 0.05 -0.65 0.59 0.00 -0.61 0.00 0.00 39.78 39.16 2rtf n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtf h ALA 119 N 3.97 1.35 0.00 5.41 0.00 -1.35 -2.32 119.26 126.33 2rtf h ALA 119 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2rtf h ALA 119 Cb 1.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2rtf h ALA 119 CO 0.40 0.24 -0.01 0.11 0.00 0.00 0.00 179.25 179.99 2rtf h TRP 120 N 0.00 0.00 -0.71 0.00 5.08 -1.82 -2.66 115.95 115.84 2rtf h TRP 120 Ca -0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 2rtf h TRP 120 Cb 0.44 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 26.29 2rtf h TRP 120 CO 0.00 0.01 -0.19 0.36 -1.28 0.00 0.00 178.44 177.34 2rtf n LYS 121 N -3.90 2.91 0.06 0.12 2.85 -0.87 -4.73 118.16 114.60 2rtf n LYS 121 Ca -0.03 -3.69 0.10 0.00 -1.05 0.00 0.00 58.31 53.63 2rtf n LYS 121 Cb 0.09 -2.16 -0.06 0.00 -0.65 0.00 0.00 35.03 32.26 2rtf n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rtf n SER 122 N -0.87 0.61 -4.38 -5.58 3.41 -1.00 -4.93 113.62 100.87 2rtf n SER 122 Ca 0.46 0.24 -0.33 0.00 -0.26 0.00 0.00 58.87 58.98 2rtf n SER 122 Cb 0.91 0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 65.55 2rtf n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rtf s THR 123 N -3.33 3.22 0.10 6.66 2.01 -1.26 -1.25 115.64 121.79 2rtf s THR 123 Ca -0.03 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.42 2rtf s THR 123 Cb 0.11 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2rtf s THR 123 CO 0.83 0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 174.58 2rtf s LEU 124 N 0.55 3.74 0.07 4.42 1.43 -0.13 -4.93 118.68 123.83 2rtf s LEU 124 Ca -0.07 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2rtf s LEU 124 Cb -0.15 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2rtf s LEU 124 CO 0.03 0.15 -0.15 0.54 0.23 0.00 0.00 176.35 177.15 2rtf s VAL 125 N -1.47 1.21 0.09 -1.59 0.11 -1.26 -1.26 120.40 116.23 2rtf s VAL 125 Ca 0.29 -1.30 -0.08 0.00 -2.93 0.00 0.00 61.98 57.96 2rtf s VAL 125 Cb -0.12 -1.14 0.03 0.00 -1.53 0.00 0.00 36.38 33.62 2rtf s VAL 125 CO 0.22 -0.16 0.39 0.61 -3.33 0.00 0.00 175.10 172.83 2rtf n GLY 126 N 1.35 1.13 3.02 6.54 0.00 -0.96 -4.99 105.19 111.27 2rtf n GLY 126 Ca -0.20 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 2rtf n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtf s HIS 127 N -4.81 -0.03 0.04 1.61 -3.43 -1.26 -0.39 115.29 107.02 2rtf s HIS 127 Ca 0.09 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 2rtf s HIS 127 Cb -0.01 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2rtf s HIS 127 CO 0.03 -0.14 -0.09 -0.51 -2.00 0.00 0.00 174.74 172.03 2rtf s ASP 128 N -0.51 0.99 -0.06 7.38 1.01 -0.77 -4.97 116.67 119.74 2rtf s ASP 128 Ca -0.06 -0.51 0.04 0.00 0.71 0.00 0.00 52.55 52.73 2rtf s ASP 128 Cb -0.04 0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.90 2rtf s ASP 128 CO 0.00 -0.14 -0.19 -0.89 0.21 0.00 0.00 175.17 174.16 2rtf s THR 129 N -1.21 1.65 -0.01 -1.27 2.01 -1.26 -1.19 115.64 114.36 2rtf s THR 129 Ca -0.07 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2rtf s THR 129 Cb -0.09 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2rtf s THR 129 CO 0.01 0.47 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.96 2rtf s PHE 130 N 0.21 2.84 -0.10 4.92 0.40 0.10 -3.51 117.98 122.83 2rtf s PHE 130 Ca -0.10 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 2rtf s PHE 130 Cb -0.14 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 2rtf s PHE 130 CO 0.05 0.33 -0.21 0.99 0.70 0.00 0.00 175.22 177.08 2rtf s THR 131 N -0.93 2.37 0.30 0.64 2.01 0.46 -2.42 115.64 118.08 2rtf s THR 131 Ca 0.15 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 2rtf s THR 131 Cb -0.11 -1.93 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 2rtf s THR 131 CO 0.05 0.55 0.92 -0.75 -0.69 0.00 0.00 174.62 174.70 2rtf s LYS 132 N 0.22 4.57 0.07 4.92 2.20 -1.24 -1.39 119.74 129.08 2rtf s LYS 132 Ca -0.13 1.29 0.02 0.00 -0.36 0.00 0.00 55.97 56.79 2rtf s LYS 132 Cb -0.16 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2rtf s LYS 132 CO 0.07 0.31 0.08 0.08 -0.36 0.00 0.00 175.35 175.54 2rtf s VAL 133 N -1.57 4.58 -0.16 4.02 1.01 -0.72 -4.96 120.40 122.61 2rtf s VAL 133 Ca 0.49 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 2rtf s VAL 133 Cb -0.19 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2rtf s VAL 133 CO 0.24 0.16 0.72 -0.75 0.00 0.00 0.00 175.10 175.47 2rtf s LYS 134 N -2.29 4.29 0.00 2.72 2.36 -1.26 -4.61 119.74 120.94 2rtf s LYS 134 Ca 0.28 0.83 0.26 0.00 -2.55 0.00 0.00 55.97 54.80 2rtf s LYS 134 Cb -0.12 -3.55 1.58 0.00 -1.05 0.00 0.00 37.83 34.68 2rtf s LYS 134 CO 0.21 -0.22 1.93 -0.35 1.55 0.00 0.00 175.35 178.47