#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnr s LEU 2 N 0.00 4.24 -0.01 -0.89 1.43 -1.26 -4.97 118.68 117.22 1nnr s LEU 2 Ca 0.00 1.92 0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1nnr s LEU 2 Cb 0.00 -4.11 -0.15 0.00 0.03 0.00 0.00 46.19 41.96 1nnr s LEU 2 CO 0.00 -0.26 0.31 0.35 0.23 0.00 0.00 176.35 176.98 1nnr n THR 3 N 0.24 0.00 -2.28 5.49 -2.24 -1.26 -5.11 114.28 109.13 1nnr n THR 3 Ca 0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1nnr n THR 3 Cb 0.50 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1nnr n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnr n GLY 4 N 1.65 -0.43 3.59 3.38 0.00 -1.26 -5.09 105.19 107.03 1nnr n GLY 4 Ca -0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1nnr n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nnr s LEU 5 N 0.00 4.13 -0.06 0.99 2.96 -1.26 -4.98 118.68 120.46 1nnr s LEU 5 Ca 0.00 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1nnr s LEU 5 Cb 0.00 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.60 1nnr s LEU 5 CO 0.00 -0.69 0.49 -1.13 -1.32 0.00 0.00 176.35 173.70 1nnr h ASN 6 N 8.39 -0.29 -5.18 3.68 -0.73 -1.98 -3.48 115.58 115.99 1nnr h ASN 6 Ca -0.25 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 57.80 1nnr h ASN 6 Cb 1.10 0.07 -0.11 0.00 0.27 0.00 0.00 38.32 39.65 1nnr h ASN 6 CO 0.90 0.19 -0.15 -1.38 -0.37 0.00 0.00 177.43 176.62 1nnr s HIS 7 N -2.81 0.16 -0.10 0.67 -3.43 -1.26 -4.43 115.29 104.09 1nnr s HIS 7 Ca -0.07 -0.52 0.04 0.00 -0.80 0.00 0.00 55.06 53.71 1nnr s HIS 7 Cb 0.00 0.16 -0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1nnr s HIS 7 CO 0.21 -0.82 -0.22 -1.17 -2.00 0.00 0.00 174.74 170.74 1nnr s LEU 8 N -2.93 2.19 -0.12 5.38 2.96 -0.44 -5.03 118.68 120.69 1nnr s LEU 8 Ca 0.14 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1nnr s LEU 8 Cb 0.01 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 1nnr s LEU 8 CO -0.01 0.17 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.11 1nnr s THR 9 N 0.30 2.43 -0.04 3.68 2.01 -1.26 -0.26 115.64 122.50 1nnr s THR 9 Ca -0.17 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.02 1nnr s THR 9 Cb -0.17 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1nnr s THR 9 CO 0.08 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.55 1nnr s LEU 10 N 0.51 2.05 0.15 4.42 1.43 -0.29 -4.97 118.68 121.98 1nnr s LEU 10 Ca -0.12 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1nnr s LEU 10 Cb -0.17 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 44.66 1nnr s LEU 10 CO 0.05 0.26 1.21 0.00 0.23 0.00 0.00 176.35 178.10 1nnr s ALA 11 N -0.29 3.44 -0.02 4.21 0.00 -1.26 -1.38 121.76 126.45 1nnr s ALA 11 Ca 0.01 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1nnr s ALA 11 Cb -0.12 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1nnr s ALA 11 CO 0.02 -0.40 -0.04 0.14 0.00 0.00 0.00 175.76 175.48 1nnr s VAL 12 N 0.30 0.42 -0.08 0.00 -7.23 -0.47 -4.92 120.40 108.43 1nnr s VAL 12 Ca 0.55 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.57 1nnr s VAL 12 Cb -0.32 -0.42 -0.26 0.00 0.56 0.00 0.00 36.38 35.94 1nnr s VAL 12 CO 0.34 0.16 0.53 0.00 -0.31 0.00 0.00 175.10 175.83 1nnr h ALA 13 N 6.66 0.49 -3.23 1.32 0.00 -1.86 0.18 119.26 122.81 1nnr h ALA 13 Ca -0.35 -1.36 -0.69 0.00 0.00 0.00 0.00 54.91 52.52 1nnr h ALA 13 Cb 1.17 0.57 -0.36 0.00 0.00 0.00 0.00 17.79 19.17 1nnr h ALA 13 CO 0.49 1.35 -0.53 0.34 0.00 0.00 0.00 179.25 180.89 1nnr s ASP 14 N -6.80 5.13 0.09 0.00 -1.08 -1.26 -4.61 116.67 108.13 1nnr s ASP 14 Ca -0.15 -2.32 -0.24 0.00 -0.52 0.00 0.00 52.55 49.32 1nnr s ASP 14 Cb 0.07 -1.80 -0.15 0.00 -1.46 0.00 0.00 42.92 39.58 1nnr s ASP 14 CO 0.80 -0.46 1.73 0.25 0.52 0.00 0.00 175.17 178.01 1nnr h LEU 15 N 7.64 -0.09 -0.83 -1.34 5.85 -1.98 -1.93 115.31 122.62 1nnr h LEU 15 Ca -0.09 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.76 1nnr h LEU 15 Cb 1.01 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 1nnr h LEU 15 CO 0.68 -0.06 0.44 -0.65 -0.34 0.00 0.00 178.44 178.51 1nnr h PRO 16 N -0.10 0.66 -0.39 5.25 0.11 -1.99 -0.38 132.00 135.16 1nnr h PRO 16 Ca -0.01 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 1nnr h PRO 16 Cb 0.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1nnr h PRO 16 CO 0.01 0.43 -0.29 0.00 -0.21 0.00 0.00 178.00 177.94 1nnr h ALA 17 N 1.52 0.74 -0.18 -0.75 0.00 -1.94 -1.28 119.26 117.38 1nnr h ALA 17 Ca 0.43 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1nnr h ALA 17 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nnr h ALA 17 CO -0.32 0.66 -0.56 0.77 0.00 0.00 0.00 179.25 179.80 1nnr h SER 18 N 0.71 0.60 -0.16 0.00 0.02 -0.86 -0.52 113.55 113.34 1nnr h SER 18 Ca 0.08 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1nnr h SER 18 Cb 0.84 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1nnr h SER 18 CO 0.07 1.04 0.03 0.40 -1.14 0.00 0.00 176.83 177.23 1nnr h ILE 19 N 0.41 1.22 -0.17 3.27 2.04 -0.97 -2.04 117.51 121.27 1nnr h ILE 19 Ca 0.01 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1nnr h ILE 19 Cb 1.10 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1nnr h ILE 19 CO 0.10 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.46 1nnr h ALA 20 N 0.82 1.67 -0.01 1.87 0.00 -0.95 0.12 119.26 122.78 1nnr h ALA 20 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1nnr h ALA 20 Cb 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nnr h ALA 20 CO 0.00 0.25 -0.27 0.35 0.00 0.00 0.00 179.25 179.58 1nnr h PHE 21 N 0.25 0.29 0.04 0.00 3.57 -0.93 -0.16 116.94 120.00 1nnr h PHE 21 Ca 0.06 -0.15 -0.23 0.00 3.53 0.00 0.00 57.97 61.18 1nnr h PHE 21 Cb 0.19 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1nnr h PHE 21 CO 0.00 0.94 -1.02 1.88 -2.23 0.00 0.00 178.31 177.88 1nnr h TYR 22 N -0.43 0.31 0.25 0.41 -1.99 -1.29 -1.77 116.97 112.47 1nnr h TYR 22 Ca -0.03 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.49 1nnr h TYR 22 Cb 1.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.71 1nnr h TYR 22 CO 0.17 1.09 -0.12 -0.09 -0.00 0.00 0.00 178.16 179.20 1nnr h ARG 23 N 0.08 -0.33 0.00 4.88 2.43 -0.85 0.20 114.38 120.78 1nnr h ARG 23 Ca -0.07 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1nnr h ARG 23 Cb 1.71 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1nnr h ARG 23 CO 0.16 0.01 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.78 1nnr h ASP 24 N -0.94 0.00 0.05 -3.80 3.32 -1.10 -1.57 116.42 112.37 1nnr h ASP 24 Ca -0.03 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1nnr h ASP 24 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1nnr h ASP 24 CO 0.06 0.95 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.44 1nnr h LEU 25 N -1.00 -0.06 0.00 1.55 -0.00 -1.36 -3.37 115.31 111.08 1nnr h LEU 25 Ca -0.09 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1nnr h LEU 25 Cb 0.74 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1nnr h LEU 25 CO -0.05 0.10 -1.23 0.18 -0.00 0.00 0.00 178.44 177.44 1nnr n LEU 26 N -5.05 0.65 0.00 1.67 4.77 -0.87 -5.00 117.00 113.16 1nnr n LEU 26 Ca -0.08 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1nnr n LEU 26 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1nnr n LEU 26 CO 0.33 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1nnr n GLY 27 N 1.41 0.42 3.75 -0.72 0.00 -0.59 -4.96 105.19 104.50 1nnr n GLY 27 Ca 0.02 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1nnr n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nnr s PHE 28 N -2.00 2.38 -0.10 1.61 0.40 -0.04 -4.94 117.98 115.29 1nnr s PHE 28 Ca 0.00 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.58 1nnr s PHE 28 Cb 0.00 -3.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.02 1nnr s PHE 28 CO 0.00 -2.23 0.86 0.50 0.70 0.00 0.00 175.22 175.04 1nnr s ARG 29 N -3.34 4.41 -0.34 0.44 3.52 0.48 -4.37 118.95 119.75 1nnr s ARG 29 Ca 0.78 1.13 -0.29 0.00 -0.13 0.00 0.00 55.73 57.21 1nnr s ARG 29 Cb -0.30 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 1nnr s ARG 29 CO 0.33 -0.17 1.23 -1.17 -0.81 0.00 0.00 175.30 174.72 1nnr s LEU 30 N 1.55 3.84 -0.16 -0.88 2.96 -1.26 -0.86 118.68 123.87 1nnr s LEU 30 Ca 0.43 1.04 -0.19 0.00 -0.22 0.00 0.00 54.13 55.18 1nnr s LEU 30 Cb -0.18 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.74 1nnr s LEU 30 CO 0.18 -1.08 0.41 -0.33 -1.32 0.00 0.00 176.35 174.20 1nnr h GLU 31 N 9.10 0.10 -3.33 1.98 4.39 -1.04 -3.49 114.58 122.29 1nnr h GLU 31 Ca -0.24 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.21 1nnr h GLU 31 Cb 1.08 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.65 1nnr h GLU 31 CO 1.05 1.08 -0.17 0.00 -1.16 0.00 0.00 179.01 179.82 1nnr s ALA 32 N -2.40 -0.79 0.17 3.43 0.00 -1.05 -5.03 121.76 116.10 1nnr s ALA 32 Ca -0.24 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1nnr s ALA 32 Cb 0.04 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 1nnr s ALA 32 CO 0.68 -0.52 -0.05 -0.98 0.00 0.00 0.00 175.76 174.89 1nnr s ARG 33 N -3.16 1.13 0.33 0.00 1.70 -1.26 -1.43 118.95 116.26 1nnr s ARG 33 Ca -0.01 -1.52 -0.07 0.00 -0.47 0.00 0.00 55.73 53.66 1nnr s ARG 33 Cb 0.01 -0.49 0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1nnr s ARG 33 CO -0.07 -0.03 0.57 -2.67 -1.08 0.00 0.00 175.30 172.01 1nnr n TRP 34 N -0.25 -1.77 0.16 5.89 2.14 0.18 -4.97 117.44 118.82 1nnr n TRP 34 Ca -0.08 -1.87 0.06 0.00 2.07 0.00 0.00 57.50 57.67 1nnr n TRP 34 Cb 0.62 0.65 0.54 0.00 -0.81 0.00 0.00 31.31 32.31 1nnr n TRP 34 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1nnr h ASP 35 N 1.75 0.17 -0.41 -0.67 3.32 -2.02 -2.93 116.42 115.62 1nnr h ASP 35 Ca -0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1nnr h ASP 35 Cb 1.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1nnr h ASP 35 CO 0.35 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 1nnr n GLN 36 N -4.48 2.56 -3.61 3.56 1.13 -1.26 -4.92 117.38 110.35 1nnr n GLN 36 Ca -0.01 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 1nnr n GLN 36 Cb 0.11 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1nnr n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nnr n GLY 37 N 0.93 -1.51 3.04 1.08 0.00 -1.11 -1.18 105.19 106.43 1nnr n GLY 37 Ca 0.15 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1nnr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnr s ALA 38 N -1.20 0.03 -0.14 4.61 0.00 -0.21 -0.65 121.76 124.21 1nnr s ALA 38 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1nnr s ALA 38 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1nnr s ALA 38 CO 0.00 -0.21 -0.14 0.71 0.00 0.00 0.00 175.76 176.12 1nnr s TYR 39 N -1.82 2.79 0.13 0.00 4.12 -0.51 -0.44 117.35 121.61 1nnr s TYR 39 Ca -0.12 -0.76 0.01 0.00 0.02 0.00 0.00 57.07 56.22 1nnr s TYR 39 Cb -0.07 -1.85 -0.04 0.00 -1.52 0.00 0.00 41.96 38.48 1nnr s TYR 39 CO -0.02 -0.29 -0.02 -0.51 0.02 0.00 0.00 175.55 174.73 1nnr s LEU 40 N 0.48 2.26 -0.07 -1.29 1.02 -0.56 -0.36 118.68 120.16 1nnr s LEU 40 Ca -0.10 -1.10 -0.03 0.00 0.02 0.00 0.00 54.13 52.92 1nnr s LEU 40 Cb -0.16 0.00 0.04 0.00 0.02 0.00 0.00 46.19 46.09 1nnr s LEU 40 CO 0.05 -0.55 0.15 -0.70 0.02 0.00 0.00 176.35 175.31 1nnr s GLU 41 N -3.90 0.08 -0.29 1.70 2.12 -0.03 -1.43 118.70 116.95 1nnr s GLU 41 Ca 0.18 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.92 1nnr s GLU 41 Cb 0.06 -0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.34 1nnr s GLU 41 CO -0.01 -0.19 0.04 -1.17 -0.54 0.00 0.00 175.26 173.39 1nnr s LEU 42 N 1.35 2.98 0.00 2.70 2.96 0.47 -0.39 118.68 128.76 1nnr s LEU 42 Ca -0.07 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.24 1nnr s LEU 42 Cb -0.12 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1nnr s LEU 42 CO -0.06 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 1nnr n GLY 43 N 4.64 1.50 0.20 7.98 0.00 -1.26 -0.75 105.19 117.50 1nnr n GLY 43 Ca -0.04 0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.45 1nnr n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nnr n SER 44 N 11.74 1.38 -4.72 1.61 3.41 -1.26 -4.95 113.62 120.83 1nnr n SER 44 Ca 0.00 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.01 1nnr n SER 44 Cb 0.00 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1nnr n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1nnr s LEU 45 N -2.70 4.41 -0.33 1.04 2.96 0.07 -5.01 118.68 119.12 1nnr s LEU 45 Ca 0.12 1.73 -0.08 0.00 -0.22 0.00 0.00 54.13 55.68 1nnr s LEU 45 Cb 0.16 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.29 1nnr s LEU 45 CO 0.69 -0.21 0.13 0.86 -1.32 0.00 0.00 176.35 176.50 1nnr s TRP 46 N 0.68 3.21 -0.27 5.38 -0.00 -1.26 -0.39 118.94 126.29 1nnr s TRP 46 Ca 0.51 -1.08 -0.09 0.00 -0.00 0.00 0.00 56.10 55.44 1nnr s TRP 46 Cb -0.22 -2.32 -0.03 0.00 -0.00 0.00 0.00 33.47 30.90 1nnr s TRP 46 CO 0.29 -0.63 0.12 -1.17 -0.00 0.00 0.00 176.95 175.56 1nnr s LEU 47 N 1.49 3.73 -0.15 5.86 2.96 -0.51 -1.33 118.68 130.72 1nnr s LEU 47 Ca 0.01 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1nnr s LEU 47 Cb -0.18 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1nnr s LEU 47 CO 0.04 -0.06 0.21 0.00 -1.32 0.00 0.00 176.35 175.22 1nnr s LEU 49 N -0.01 3.63 -0.26 0.00 1.43 0.41 -1.13 118.68 122.75 1nnr s LEU 49 Ca 0.14 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1nnr s LEU 49 Cb -0.12 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1nnr s LEU 49 CO 0.02 0.02 -0.06 -0.55 0.23 0.00 0.00 176.35 176.02 1nnr s SER 50 N 1.29 4.43 -0.01 2.29 0.15 -0.48 -1.05 113.70 120.33 1nnr s SER 50 Ca 0.05 -1.02 -0.30 0.00 0.70 0.00 0.00 55.95 55.38 1nnr s SER 50 Cb -0.15 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 1nnr s SER 50 CO 0.04 -0.16 1.29 -0.60 1.20 0.00 0.00 173.24 175.01 1nnr s ARG 51 N 1.28 4.33 -0.26 5.44 3.52 -0.32 -1.37 118.95 131.58 1nnr s ARG 51 Ca -0.02 1.83 -0.02 0.00 -0.13 0.00 0.00 55.73 57.38 1nnr s ARG 51 Cb -0.18 -3.52 0.12 0.00 -1.56 0.00 0.00 34.95 29.81 1nnr s ARG 51 CO -0.04 -0.47 0.25 -1.21 -0.81 0.00 0.00 175.30 173.02 1nnr s GLU 52 N 2.06 0.26 -0.04 5.12 2.02 0.63 -4.89 118.70 123.86 1nnr s GLU 52 Ca 0.60 -0.06 -0.23 0.00 0.02 0.00 0.00 54.97 55.30 1nnr s GLU 52 Cb -0.29 -0.93 -0.23 0.00 0.10 0.00 0.00 34.13 32.78 1nnr s GLU 52 CO 0.25 -0.88 1.06 -1.00 0.02 0.00 0.00 175.26 174.71 1nnr h PRO 53 N 8.30 0.23 -0.04 0.39 0.13 -1.81 -2.14 132.00 137.06 1nnr h PRO 53 Ca -0.16 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1nnr h PRO 53 Cb 1.10 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nnr h PRO 53 CO 0.33 0.95 0.00 1.04 -0.23 0.00 0.00 178.00 180.09 1nnr n GLN 54 N -4.45 0.70 -1.72 0.86 1.13 -1.26 -4.84 117.38 107.80 1nnr n GLN 54 Ca -0.10 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.54 1nnr n GLN 54 Cb 0.53 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 29.83 1nnr n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1nnr s TYR 55 N -1.95 1.60 -0.69 1.08 5.04 -0.80 -4.87 117.35 116.76 1nnr s TYR 55 Ca 0.00 -0.27 0.24 0.00 -2.44 0.00 0.00 57.07 54.60 1nnr s TYR 55 Cb 0.00 -4.19 0.36 0.00 0.35 0.00 0.00 41.96 38.47 1nnr s TYR 55 CO 0.00 -5.20 1.32 0.41 -1.34 0.00 0.00 175.55 170.74 1nnr n GLY 56 N 4.41 -1.38 0.00 8.97 0.00 -1.26 -4.80 105.19 111.13 1nnr n GLY 56 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1nnr n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnr n GLY 57 N 1.36 1.63 3.63 -0.02 0.00 -1.26 -5.02 105.19 105.51 1nnr n GLY 57 Ca 0.03 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1nnr n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nnr s PRO 58 N -2.49 0.36 0.54 1.61 0.04 -1.26 -5.03 135.00 128.77 1nnr s PRO 58 Ca 0.00 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 1nnr s PRO 58 Cb 0.00 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1nnr s PRO 58 CO 0.00 -2.86 1.19 0.00 0.04 0.00 0.00 177.00 175.37 1nnr s ALA 59 N -2.76 2.71 -1.14 8.56 0.00 -1.26 -4.91 121.76 122.96 1nnr s ALA 59 Ca 0.66 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.37 1nnr s ALA 59 Cb -0.21 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1nnr s ALA 59 CO 0.60 -0.96 1.85 0.00 0.00 0.00 0.00 175.76 177.24 1nnr s ALA 60 N -1.60 2.20 0.05 0.00 0.00 -1.26 -4.84 121.76 116.31 1nnr s ALA 60 Ca 0.72 -2.21 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1nnr s ALA 60 Cb -0.29 -4.63 -0.00 0.00 0.00 0.00 0.00 23.12 18.19 1nnr s ALA 60 CO 0.33 -4.56 0.04 -0.40 0.00 0.00 0.00 175.76 171.17 1nnr n ASP 61 N 12.43 0.12 -0.44 0.00 3.85 -1.26 -5.08 116.55 126.18 1nnr n ASP 61 Ca 0.44 -1.32 0.11 0.00 -0.71 0.00 0.00 54.79 53.31 1nnr n ASP 61 Cb 0.47 0.22 0.03 0.00 -1.35 0.00 0.00 41.12 40.50 1nnr n ASP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nnr n TYR 62 N -0.10 0.00 -1.65 2.11 4.19 -1.26 -4.93 117.16 115.52 1nnr n TYR 62 Ca 0.01 0.00 -0.57 0.00 3.31 0.00 0.00 57.90 60.65 1nnr n TYR 62 Cb 0.09 -0.01 -0.07 0.00 0.49 0.00 0.00 39.34 39.83 1nnr n TYR 62 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1nnr n THR 63 N -0.17 0.14 -3.78 2.97 -1.04 -1.26 -4.92 114.28 106.22 1nnr n THR 63 Ca 0.09 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.05 62.04 1nnr n THR 63 Cb 0.45 -0.90 -0.01 0.00 -1.82 0.00 0.00 70.33 68.04 1nnr n THR 63 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1nnr s HIS 64 N 2.05 -0.12 -0.17 -1.42 -3.43 -1.26 -4.54 115.29 106.40 1nnr s HIS 64 Ca 0.93 -0.21 -0.01 0.00 -0.80 0.00 0.00 55.06 54.97 1nnr s HIS 64 Cb -1.08 0.65 0.05 0.00 -1.43 0.00 0.00 32.58 30.77 1nnr s HIS 64 CO 0.59 -0.90 -0.03 0.71 -2.00 0.00 0.00 174.74 173.12 1nnr s TYR 65 N -3.30 1.54 -0.12 0.38 1.51 -0.61 -5.02 117.35 111.73 1nnr s TYR 65 Ca 0.13 -1.01 -0.00 0.00 -1.01 0.00 0.00 57.07 55.17 1nnr s TYR 65 Cb -0.02 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1nnr s TYR 65 CO 0.03 -0.60 -0.11 0.00 -1.11 0.00 0.00 175.55 173.76 1nnr s ALA 66 N 1.69 2.73 0.17 3.71 0.00 -1.26 -1.80 121.76 127.00 1nnr s ALA 66 Ca 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1nnr s ALA 66 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1nnr s ALA 66 CO -0.07 0.30 0.12 -0.06 0.00 0.00 0.00 175.76 176.05 1nnr s PHE 67 N 0.15 3.11 0.51 0.00 0.40 0.67 -4.96 117.98 117.86 1nnr s PHE 67 Ca -0.05 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.06 1nnr s PHE 67 Cb -0.15 -1.48 -0.08 0.00 0.51 0.00 0.00 43.02 41.82 1nnr s PHE 67 CO 0.04 0.52 1.00 0.20 0.70 0.00 0.00 175.22 177.68 1nnr s GLY 68 N -3.15 2.18 -0.27 4.36 0.00 -1.26 -1.04 107.32 108.13 1nnr s GLY 68 Ca 0.31 0.31 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 1nnr s GLY 68 CO 0.23 0.59 0.76 -1.50 0.00 0.00 0.00 173.10 173.18 1nnr s ILE 69 N -2.44 0.00 0.75 0.90 2.07 -1.04 -4.78 121.20 116.65 1nnr s ILE 69 Ca 0.61 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.74 1nnr s ILE 69 Cb -0.12 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.52 1nnr s ILE 69 CO 0.28 0.00 1.09 0.00 -1.91 0.00 0.00 174.94 174.39 1nnr s ALA 70 N 0.58 2.37 0.39 1.50 0.00 -1.26 -4.11 121.76 121.22 1nnr s ALA 70 Ca -0.01 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1nnr s ALA 70 Cb -0.05 -3.26 0.78 0.00 0.00 0.00 0.00 23.12 20.60 1nnr s ALA 70 CO -0.04 -1.61 1.94 0.00 0.00 0.00 0.00 175.76 176.06 1nnr h ALA 71 N -0.94 1.53 0.00 0.00 0.00 -1.98 -2.86 119.26 115.02 1nnr h ALA 71 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1nnr h ALA 71 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nnr h ALA 71 CO 0.53 0.34 -0.33 0.00 0.00 0.00 0.00 179.25 179.79 1nnr n ALA 72 N -2.49 3.09 0.36 0.00 0.00 -1.26 -3.05 120.51 117.16 1nnr n ALA 72 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1nnr n ALA 72 Cb 0.22 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 1nnr n ALA 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nnr n ASP 73 N -1.54 0.41 -0.26 0.00 8.00 -1.09 -4.63 116.55 117.43 1nnr n ASP 73 Ca 0.06 -0.30 -0.00 0.00 0.71 0.00 0.00 54.79 55.25 1nnr n ASP 73 Cb 0.34 1.49 0.12 0.00 -0.02 0.00 0.00 41.12 43.05 1nnr n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1nnr h PHE 74 N 0.00 0.80 -0.49 1.24 3.57 -1.48 -2.23 116.94 118.35 1nnr h PHE 74 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1nnr h PHE 74 Cb 0.82 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1nnr h PHE 74 CO 0.00 0.39 0.03 0.00 -2.23 0.00 0.00 178.31 176.50 1nnr h ALA 75 N 1.37 1.13 0.03 2.41 0.00 -1.82 -1.98 119.26 120.40 1nnr h ALA 75 Ca 0.33 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1nnr h ALA 75 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nnr h ALA 75 CO -0.18 0.56 -1.24 0.07 0.00 0.00 0.00 179.25 178.46 1nnr h ARG 76 N 0.75 0.05 -0.59 0.00 0.11 -1.79 -2.54 114.38 110.38 1nnr h ARG 76 Ca 0.15 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 60.08 1nnr h ARG 76 Cb 0.42 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 1nnr h ARG 76 CO 0.01 0.92 0.12 0.35 0.10 0.00 0.00 179.97 181.48 1nnr h PHE 77 N 0.01 1.01 -0.22 4.08 3.57 -1.25 -0.19 116.94 123.95 1nnr h PHE 77 Ca -0.11 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 1nnr h PHE 77 Cb 1.87 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1nnr h PHE 77 CO 0.01 0.87 -0.07 0.00 -2.23 0.00 0.00 178.31 176.89 1nnr h ALA 78 N 1.02 0.31 -0.89 2.41 0.00 -1.31 -1.98 119.26 118.82 1nnr h ALA 78 Ca 0.18 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1nnr h ALA 78 Cb 0.38 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1nnr h ALA 78 CO 0.01 0.11 0.53 0.00 0.00 0.00 0.00 179.25 179.89 1nnr h ALA 79 N 0.74 1.29 -0.24 0.00 0.00 -1.43 -1.80 119.26 117.81 1nnr h ALA 79 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nnr h ALA 79 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1nnr h ALA 79 CO 0.02 0.16 0.05 0.37 0.00 0.00 0.00 179.25 179.85 1nnr h GLN 80 N 0.87 0.39 -0.42 0.00 4.15 -0.81 0.30 115.11 119.59 1nnr h GLN 80 Ca 0.43 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.67 1nnr h GLN 80 Cb 0.39 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1nnr h GLN 80 CO -0.25 0.50 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.02 1nnr h LEU 81 N 0.20 0.70 -0.18 -2.39 4.07 -1.24 -1.17 115.31 115.31 1nnr h LEU 81 Ca 0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 1nnr h LEU 81 Cb 0.30 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1nnr h LEU 81 CO 0.00 0.81 0.04 0.03 -1.08 0.00 0.00 178.44 178.24 1nnr h ARG 82 N 0.67 0.29 -0.86 1.13 3.08 -1.17 -1.07 114.38 116.45 1nnr h ARG 82 Ca 0.12 -0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1nnr h ARG 82 Cb 0.50 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1nnr h ARG 82 CO 0.03 0.43 0.56 0.00 -1.07 0.00 0.00 179.97 179.92 1nnr h ALA 83 N 0.84 1.86 -0.02 0.04 0.00 -0.25 0.42 119.26 122.15 1nnr h ALA 83 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nnr h ALA 83 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nnr h ALA 83 CO 0.00 -0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.89 1nnr n HIS 84 N -4.54 0.02 -2.39 0.00 8.25 -0.45 -4.92 115.22 111.18 1nnr n HIS 84 Ca 0.16 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 1nnr n HIS 84 Cb 0.46 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.56 1nnr n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nnr n GLY 85 N 0.96 -0.28 3.72 -1.41 0.00 0.15 -4.95 105.19 103.38 1nnr n GLY 85 Ca 0.19 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1nnr n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnr s VAL 86 N -2.83 2.78 0.28 1.61 1.01 -0.49 -5.00 120.40 117.77 1nnr s VAL 86 Ca 0.04 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1nnr s VAL 86 Cb -0.02 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1nnr s VAL 86 CO 0.05 0.06 1.05 -0.60 0.00 0.00 0.00 175.10 175.65 1nnr s ARG 87 N 0.80 4.65 0.01 2.72 3.52 -1.26 -4.69 118.95 124.70 1nnr s ARG 87 Ca 0.66 1.70 -0.12 0.00 -0.13 0.00 0.00 55.73 57.84 1nnr s ARG 87 Cb -0.42 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1nnr s ARG 87 CO 0.34 0.26 0.37 -1.21 -0.81 0.00 0.00 175.30 174.25 1nnr s GLU 88 N -1.48 3.80 0.00 5.12 2.02 -1.26 -1.28 118.70 125.62 1nnr s GLU 88 Ca 0.45 0.26 0.08 0.00 0.02 0.00 0.00 54.97 55.78 1nnr s GLU 88 Cb -0.29 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1nnr s GLU 88 CO 0.38 0.66 0.51 -2.67 0.02 0.00 0.00 175.26 174.16 1nnr n TRP 89 N 1.52 0.00 -3.58 1.61 4.27 -0.99 -4.91 117.44 115.35 1nnr n TRP 89 Ca -0.13 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.37 1nnr n TRP 89 Cb 0.53 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.42 1nnr n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1nnr s LYS 90 N -1.33 0.62 0.14 -2.67 2.20 -1.26 -5.09 119.74 112.36 1nnr s LYS 90 Ca 0.06 0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.88 1nnr s LYS 90 Cb 0.06 0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 36.63 1nnr s LYS 90 CO 0.23 -0.17 0.37 1.14 -0.36 0.00 0.00 175.35 176.56 1nnr s GLN 91 N -0.82 3.62 0.19 4.03 -2.07 -1.26 -4.37 119.66 118.98 1nnr s GLN 91 Ca -0.02 -0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.13 1nnr s GLN 91 Cb -0.01 -2.86 -0.08 0.00 -1.09 0.00 0.00 33.01 28.97 1nnr s GLN 91 CO 0.01 0.48 1.11 1.21 -1.32 0.00 0.00 175.29 176.78 1nnr s ASN 92 N -2.41 7.24 0.00 12.60 2.47 -1.26 -4.92 114.94 128.67 1nnr s ASN 92 Ca 0.40 2.14 0.00 0.00 0.42 0.00 0.00 52.86 55.82 1nnr s ASN 92 Cb -0.12 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1nnr s ASN 92 CO 0.24 -0.23 0.28 -2.11 -3.72 0.00 0.00 177.10 171.57 1nnr n ARG 93 N 2.22 0.00 -4.53 0.43 1.85 -1.26 -5.09 116.66 110.28 1nnr n ARG 93 Ca 0.02 -0.28 -0.27 0.00 -1.00 0.00 0.00 57.85 56.32 1nnr n ARG 93 Cb 0.46 -0.30 -0.10 0.00 -1.05 0.00 0.00 32.46 31.46 1nnr n ARG 93 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1nnr s SER 94 N 0.00 3.99 -0.08 2.89 1.04 -1.26 -5.08 113.70 115.19 1nnr s SER 94 Ca 0.00 -1.32 -0.38 0.00 0.48 0.00 0.00 55.95 54.73 1nnr s SER 94 Cb 0.00 -0.40 -0.16 0.00 0.10 0.00 0.00 66.02 65.56 1nnr s SER 94 CO 0.00 -0.47 1.53 1.21 0.98 0.00 0.00 173.24 176.49 1nnr n GLU 95 N -1.03 1.17 0.00 4.02 0.00 -1.26 -4.69 120.64 118.85 1nnr n GLU 95 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1nnr n GLU 95 Cb 0.67 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1nnr n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nnr n GLY 96 N 3.31 -0.01 3.76 8.31 0.00 -1.26 -4.92 105.19 114.38 1nnr n GLY 96 Ca 0.22 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1nnr n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nnr s ASP 97 N -1.38 6.39 -0.05 1.61 1.01 -1.23 -4.83 116.67 118.19 1nnr s ASP 97 Ca 0.00 2.97 -0.03 0.00 0.71 0.00 0.00 52.55 56.21 1nnr s ASP 97 Cb 0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 1nnr s ASP 97 CO 0.00 -0.87 0.12 -0.44 0.21 0.00 0.00 175.17 174.18 1nnr s SER 98 N 0.19 -0.08 -0.24 0.27 0.01 -1.26 -0.98 113.70 111.61 1nnr s SER 98 Ca 0.58 0.24 -0.05 0.00 1.31 0.00 0.00 55.95 58.03 1nnr s SER 98 Cb -0.47 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 1nnr s SER 98 CO 0.54 -0.12 0.00 0.12 0.41 0.00 0.00 173.24 174.19 1nnr s PHE 99 N 0.94 3.02 -0.36 2.43 5.36 -0.18 -4.61 117.98 124.58 1nnr s PHE 99 Ca -0.07 -0.85 -0.10 0.00 -0.96 0.00 0.00 56.93 54.94 1nnr s PHE 99 Cb -0.10 -2.16 0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1nnr s PHE 99 CO -0.04 -0.52 0.19 0.71 -1.46 0.00 0.00 175.22 174.10 1nnr s TYR 100 N 1.51 3.24 0.20 10.12 1.51 -1.26 -0.33 117.35 132.33 1nnr s TYR 100 Ca 0.05 -0.97 0.05 0.00 -1.01 0.00 0.00 57.07 55.19 1nnr s TYR 100 Cb -0.15 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1nnr s TYR 100 CO -0.01 -0.64 -0.06 -0.59 -1.11 0.00 0.00 175.55 173.14 1nnr s PHE 101 N 1.54 1.49 0.04 2.71 -0.12 -0.30 -2.36 117.98 120.99 1nnr s PHE 101 Ca 0.02 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 1nnr s PHE 101 Cb -0.19 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 1nnr s PHE 101 CO 0.06 0.08 0.12 -0.51 -0.05 0.00 0.00 175.22 174.93 1nnr s LEU 102 N -3.26 4.04 0.71 -1.99 1.43 -0.40 -0.97 118.68 118.24 1nnr s LEU 102 Ca 0.23 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1nnr s LEU 102 Cb 0.03 -2.56 0.13 0.00 0.03 0.00 0.00 46.19 43.83 1nnr s LEU 102 CO 0.05 0.21 0.98 1.51 0.23 0.00 0.00 176.35 179.34 1nnr s ASP 103 N -2.17 4.37 0.63 2.29 -4.77 -0.40 -4.70 116.67 111.92 1nnr s ASP 103 Ca 0.29 -0.43 0.33 0.00 -3.30 0.00 0.00 52.55 49.44 1nnr s ASP 103 Cb -0.12 0.06 1.87 0.00 -1.09 0.00 0.00 42.92 43.63 1nnr s ASP 103 CO 0.21 -1.85 2.13 -0.65 0.70 0.00 0.00 175.17 175.71 1nnr h PRO 104 N -0.49 0.00 -0.65 2.11 0.11 -1.94 0.14 132.00 131.28 1nnr h PRO 104 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1nnr h PRO 104 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nnr h PRO 104 CO 0.40 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.94 1nnr n ASP 105 N -3.38 4.72 -0.29 -2.05 8.00 -1.26 -4.96 116.55 117.32 1nnr n ASP 105 Ca -0.01 -2.50 -0.04 0.00 0.71 0.00 0.00 54.79 52.96 1nnr n ASP 105 Cb 0.27 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 1nnr n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nnr n GLY 106 N 1.02 0.46 3.60 0.44 0.00 0.47 -4.18 105.19 107.01 1nnr n GLY 106 Ca 0.25 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1nnr n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nnr n HIS 107 N -2.30 0.99 -3.56 1.61 8.25 -1.26 -4.67 115.22 114.28 1nnr n HIS 107 Ca -0.04 0.52 -0.38 0.00 -0.26 0.00 0.00 57.72 57.56 1nnr n HIS 107 Cb 0.42 -2.19 -0.10 0.00 1.12 0.00 0.00 29.99 29.23 1nnr n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nnr s ARG 108 N -2.20 3.99 0.29 -0.41 0.52 -1.26 -1.28 118.95 118.60 1nnr s ARG 108 Ca 0.66 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 1nnr s ARG 108 Cb -0.51 -3.63 -0.06 0.00 0.52 0.00 0.00 34.95 31.27 1nnr s ARG 108 CO 0.54 -0.14 -0.04 -0.51 0.02 0.00 0.00 175.30 175.17 1nnr s LEU 109 N 1.65 2.43 -0.24 2.53 1.43 -0.14 -1.57 118.68 124.78 1nnr s LEU 109 Ca 0.09 -1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1nnr s LEU 109 Cb -0.15 -0.58 0.08 0.00 0.03 0.00 0.00 46.19 45.57 1nnr s LEU 109 CO 0.09 -0.39 0.57 -0.70 0.23 0.00 0.00 176.35 176.15 1nnr s GLU 110 N -3.76 0.55 -0.15 1.70 2.12 -0.74 -1.15 118.70 117.27 1nnr s GLU 110 Ca 0.30 1.12 -0.14 0.00 0.36 0.00 0.00 54.97 56.62 1nnr s GLU 110 Cb 0.05 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 1nnr s GLU 110 CO 0.12 -0.17 0.30 0.00 -0.54 0.00 0.00 175.26 174.97 1nnr s ALA 111 N 1.90 3.60 -0.04 6.30 0.00 0.55 -0.24 121.76 133.83 1nnr s ALA 111 Ca -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1nnr s ALA 111 Cb -0.08 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1nnr s ALA 111 CO -0.17 0.13 -0.09 -1.58 0.00 0.00 0.00 175.76 174.04 1nnr s HIS 112 N 0.34 1.09 -0.18 0.00 5.04 -0.21 -1.01 115.29 120.36 1nnr s HIS 112 Ca 0.17 -0.33 -0.15 0.00 -1.54 0.00 0.00 55.06 53.21 1nnr s HIS 112 Cb -0.13 -0.82 -0.04 0.00 0.04 0.00 0.00 32.58 31.63 1nnr s HIS 112 CO 0.05 -0.18 0.33 0.08 -2.34 0.00 0.00 174.74 172.68 1nnr s VAL 113 N 0.52 5.26 0.00 0.89 1.01 -0.15 -2.49 120.40 125.44 1nnr s VAL 113 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1nnr s VAL 113 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1nnr s VAL 113 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1nnr n GLY 114 N 3.65 1.35 0.11 4.51 0.00 -1.26 -3.51 105.19 110.04 1nnr n GLY 114 Ca -0.10 -2.22 -0.00 0.00 0.00 0.00 0.00 46.02 43.69 1nnr n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nnr n ASP 115 N 0.00 -0.05 -0.18 1.61 3.85 -1.26 -4.95 116.55 115.57 1nnr n ASP 115 Ca 0.00 -1.06 -0.10 0.00 -0.71 0.00 0.00 54.79 52.93 1nnr n ASP 115 Cb 0.00 0.09 0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1nnr n ASP 115 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1nnr h LEU 116 N 0.00 1.02 -0.07 -2.12 5.85 -2.01 -2.09 115.31 115.89 1nnr h LEU 116 Ca -0.01 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1nnr h LEU 116 Cb 0.04 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1nnr h LEU 116 CO 0.01 1.13 -0.27 -0.09 -0.34 0.00 0.00 178.44 178.88 1nnr h ARG 117 N 0.91 -0.36 -0.24 1.25 2.43 -2.00 -1.80 114.38 114.56 1nnr h ARG 117 Ca 0.14 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1nnr h ARG 117 Cb 0.68 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1nnr h ARG 117 CO 0.05 -0.24 -0.03 0.66 -1.51 0.00 0.00 179.97 178.90 1nnr h SER 118 N -0.37 0.34 -0.26 -3.80 4.64 -1.92 -2.41 113.55 109.76 1nnr h SER 118 Ca 0.08 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1nnr h SER 118 Cb 0.49 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1nnr h SER 118 CO -0.28 0.43 0.00 -0.09 -0.87 0.00 0.00 176.83 176.02 1nnr h ARG 119 N 0.36 0.45 -0.67 4.77 9.65 -0.99 -2.42 114.38 125.53 1nnr h ARG 119 Ca 0.08 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1nnr h ARG 119 Cb 0.29 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1nnr h ARG 119 CO 0.01 0.62 0.35 -0.07 2.80 0.00 0.00 179.97 183.68 1nnr h LEU 120 N 0.23 0.85 0.49 3.80 3.38 -1.07 0.49 115.31 123.49 1nnr h LEU 120 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1nnr h LEU 120 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nnr h LEU 120 CO 0.01 0.72 -0.24 0.00 0.09 0.00 0.00 178.44 179.03 1nnr h ALA 121 N 1.17 -0.66 -0.99 1.53 0.00 -1.36 0.63 119.26 119.56 1nnr h ALA 121 Ca 0.23 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1nnr h ALA 121 Cb 0.07 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1nnr h ALA 121 CO -0.03 -0.82 0.62 0.00 0.00 0.00 0.00 179.25 179.01 1nnr h ALA 122 N -0.30 1.49 -0.20 0.00 0.00 -1.35 -2.07 119.26 116.84 1nnr h ALA 122 Ca -0.07 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1nnr h ALA 122 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nnr h ALA 122 CO 0.11 0.23 -0.38 0.00 0.00 0.00 0.00 179.25 179.21 1nnr h ARG 124 N 0.37 0.52 -0.00 0.00 3.08 0.88 -1.32 114.38 117.90 1nnr h ARG 124 Ca 0.04 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1nnr h ARG 124 Cb 0.84 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1nnr h ARG 124 CO 0.07 0.34 -0.83 1.96 -1.07 0.00 0.00 179.97 180.44 1nnr h GLN 125 N 0.53 0.12 -2.14 0.04 1.08 -0.72 -3.39 115.11 110.64 1nnr h GLN 125 Ca 0.31 -0.12 -0.55 0.00 -1.45 0.00 0.00 58.65 56.83 1nnr h GLN 125 Cb 0.31 0.03 -0.37 0.00 -0.05 0.00 0.00 27.48 27.41 1nnr h GLN 125 CO -0.25 0.88 -0.99 0.00 -0.95 0.00 0.00 178.83 177.52 1nnr n ALA 126 N -2.43 2.42 -1.78 3.87 0.00 -0.52 -5.12 120.51 116.94 1nnr n ALA 126 Ca -0.02 -3.06 -0.36 0.00 0.00 0.00 0.00 53.44 50.00 1nnr n ALA 126 Cb 0.78 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 1nnr n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nnr s PRO 127 N -0.27 3.90 0.76 0.00 0.04 -0.51 -4.60 135.00 134.32 1nnr s PRO 127 Ca 0.33 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1nnr s PRO 127 Cb 0.08 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1nnr s PRO 127 CO -0.17 -0.38 1.08 0.71 0.04 0.00 0.00 177.00 178.28 1nnr s TYR 128 N -1.74 2.89 -0.06 0.56 4.12 -1.26 -4.91 117.35 116.96 1nnr s TYR 128 Ca 0.63 1.31 -0.37 0.00 0.02 0.00 0.00 57.07 58.66 1nnr s TYR 128 Cb -0.22 -3.02 -0.15 0.00 -1.52 0.00 0.00 41.96 37.06 1nnr s TYR 128 CO 0.27 -1.59 1.63 0.00 0.02 0.00 0.00 175.55 175.88 1nnr n ALA 129 N -3.34 0.08 -1.89 3.71 0.00 -1.26 -1.51 120.51 116.30 1nnr n ALA 129 Ca 0.07 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.75 1nnr n ALA 129 Cb 0.55 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1nnr n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnr n GLY 130 N 3.63 0.77 3.75 0.00 0.00 -1.26 -4.95 105.19 107.12 1nnr n GLY 130 Ca 0.22 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1nnr n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nnr s MET 131 N -4.12 4.42 -0.02 1.61 1.75 -0.57 -5.05 119.30 117.31 1nnr s MET 131 Ca 0.00 2.05 0.01 0.00 -1.25 0.00 0.00 55.69 56.50 1nnr s MET 131 Cb 0.00 -3.17 0.01 0.00 2.84 0.00 0.00 34.83 34.51 1nnr s MET 131 CO 0.00 -0.16 -0.05 1.03 -0.65 0.00 0.00 175.02 175.19 1nnr s ARG 132 N -0.72 0.59 0.32 4.11 1.81 -1.26 -4.97 118.95 118.83 1nnr s ARG 132 Ca 0.53 -0.14 0.04 0.00 -1.72 0.00 0.00 55.73 54.44 1nnr s ARG 132 Cb -0.36 -0.61 -0.02 0.00 -0.45 0.00 0.00 34.95 33.51 1nnr s ARG 132 CO 0.42 0.02 0.48 -0.06 -0.68 0.00 0.00 175.30 175.48 1nnr s PHE 133 N 0.40 3.32 -2.00 -0.53 0.40 -1.26 -5.20 117.98 113.11 1nnr s PHE 133 Ca -0.05 0.03 0.14 0.00 -0.60 0.00 0.00 56.93 56.45 1nnr s PHE 133 Cb -0.08 -1.88 0.82 0.00 0.51 0.00 0.00 43.02 42.39 1nnr s PHE 133 CO -0.00 0.12 1.25 0.00 0.70 0.00 0.00 175.22 177.28