#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yud n ASN 3 N 0.00 0.37 0.02 1.08 4.13 -1.26 -4.98 115.26 114.62 1yud n ASN 3 Ca 0.00 -1.37 -0.16 0.00 1.68 0.00 0.00 54.58 54.73 1yud n ASN 3 Cb 0.00 -0.31 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 1yud n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yud h ALA 4 N -1.00 0.31 -0.38 5.41 0.00 -1.97 -3.17 119.26 118.47 1yud h ALA 4 Ca -0.15 -0.64 0.10 0.00 0.00 0.00 0.00 54.91 54.22 1yud h ALA 4 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1yud h ALA 4 CO 0.14 0.71 0.27 -0.44 0.00 0.00 0.00 179.25 179.93 1yud h ASP 5 N 0.43 0.05 -0.16 0.00 3.32 -2.00 -1.61 116.42 116.44 1yud h ASP 5 Ca -0.07 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 1yud h ASP 5 Cb 1.49 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 41.04 1yud h ASP 5 CO 0.17 0.03 -0.70 0.44 -1.72 0.00 0.00 179.24 177.46 1yud h ASP 6 N 0.05 0.92 -0.17 6.45 5.19 -1.93 -2.68 116.42 124.26 1yud h ASP 6 Ca 0.18 -0.57 -0.10 0.00 -0.62 0.00 0.00 57.03 55.93 1yud h ASP 6 Cb 0.65 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1yud h ASP 6 CO -0.01 1.36 -0.28 -0.26 -3.12 0.00 0.00 179.24 176.93 1yud h PHE 7 N 0.57 0.60 -0.46 4.55 -1.00 -1.39 -0.97 116.94 118.84 1yud h PHE 7 Ca -0.03 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 1yud h PHE 7 Cb 1.31 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 1yud h PHE 7 CO 0.08 0.91 0.25 -0.84 -1.61 0.00 0.00 178.31 177.10 1yud h ILE 8 N 0.12 1.17 0.60 -0.55 3.07 -1.45 0.31 117.51 120.78 1yud h ILE 8 Ca 0.01 -0.43 -0.03 0.00 1.55 0.00 0.00 64.86 65.96 1yud h ILE 8 Cb 0.86 0.61 0.01 0.00 -0.27 0.00 0.00 36.82 38.02 1yud h ILE 8 CO 0.06 0.18 -0.29 0.50 -1.05 0.00 0.00 178.15 177.55 1yud h LYS 9 N 0.61 -0.78 -0.43 0.16 3.64 -1.48 0.47 116.57 118.76 1yud h LYS 9 Ca 0.16 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1yud h LYS 9 Cb 0.06 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1yud h LYS 9 CO -0.03 -0.52 0.15 0.74 -2.27 0.00 0.00 179.45 177.53 1yud h PHE 10 N -0.87 0.62 0.00 1.91 0.04 -1.21 -2.48 116.94 114.96 1yud h PHE 10 Ca -0.08 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1yud h PHE 10 Cb 0.62 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1yud h PHE 10 CO 0.07 0.51 -0.44 -0.07 -0.60 0.00 0.00 178.31 177.78 1yud h LEU 11 N 0.62 0.00 -1.50 1.54 3.38 -0.96 -3.48 115.31 114.90 1yud h LEU 11 Ca 0.15 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1yud h LEU 11 Cb 0.16 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.01 1yud h LEU 11 CO -0.01 0.05 -0.45 -0.62 0.09 0.00 0.00 178.44 177.50 1yud n GLU 12 N -2.40 -4.27 -2.57 1.13 -0.58 0.15 -4.92 120.64 107.18 1yud n GLU 12 Ca 0.03 0.51 -0.42 0.00 -0.42 0.00 0.00 57.16 56.87 1yud n GLU 12 Cb 0.47 -4.54 -0.03 0.00 -0.57 0.00 0.00 31.44 26.77 1yud n GLU 12 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yud s LEU 13 N -4.69 4.40 0.51 -4.62 1.43 -0.11 -4.74 118.68 110.86 1yud s LEU 13 Ca 0.12 1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 1yud s LEU 13 Cb -0.05 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1yud s LEU 13 CO 0.44 -0.32 0.78 -1.61 0.23 0.00 0.00 176.35 175.87 1yud s GLU 14 N 0.73 3.14 0.59 1.70 0.41 0.37 -4.65 118.70 121.00 1yud s GLU 14 Ca 0.54 -0.13 -0.16 0.00 -0.41 0.00 0.00 54.97 54.80 1yud s GLU 14 Cb -0.26 -2.41 -0.03 0.00 -1.78 0.00 0.00 34.13 29.65 1yud s GLU 14 CO 0.30 -0.40 1.08 -0.65 -0.49 0.00 0.00 175.26 175.10 1yud s GLN 15 N -4.76 3.22 0.09 1.61 -0.21 -1.26 0.23 119.66 118.58 1yud s GLN 15 Ca 0.50 1.33 0.06 0.00 0.02 0.00 0.00 55.36 57.26 1yud s GLN 15 Cb -0.10 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1yud s GLN 15 CO 0.42 -0.91 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.05 1yud s HIS 16 N -2.28 2.85 0.29 0.91 5.65 0.16 -4.72 115.29 118.14 1yud s HIS 16 Ca 0.66 -0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.88 1yud s HIS 16 Cb -0.18 -1.49 0.43 0.00 -1.18 0.00 0.00 32.58 30.16 1yud s HIS 16 CO 0.35 0.44 1.80 -0.24 -0.65 0.00 0.00 174.74 176.45 1yud h VAL 17 N 3.15 1.23 -0.00 0.89 3.04 -1.96 -2.93 116.25 119.66 1yud h VAL 17 Ca -0.48 -0.92 -0.17 0.00 -1.01 0.00 0.00 66.70 64.11 1yud h VAL 17 Cb 1.17 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 1yud h VAL 17 CO 0.55 0.32 -0.79 1.05 -1.01 0.00 0.00 177.57 177.70 1yud h GLU 18 N 0.66 0.05 0.00 4.17 4.11 -1.95 -3.49 114.58 118.13 1yud h GLU 18 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1yud h GLU 18 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1yud h GLU 18 CO 0.02 0.81 0.00 0.41 0.07 0.00 0.00 179.01 180.31 1yud n GLY 19 N 0.71 2.84 7.00 1.06 0.00 -1.11 -1.72 105.19 113.97 1yud n GLY 19 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1yud n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yud n GLY 20 N -1.46 0.33 3.64 -0.02 0.00 -1.24 -4.06 105.19 102.39 1yud n GLY 20 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1yud n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yud s PHE 21 N 0.00 2.53 0.01 1.61 0.08 -0.23 0.37 117.98 122.35 1yud s PHE 21 Ca 0.00 -0.53 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 1yud s PHE 21 Cb 0.00 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 40.91 1yud s PHE 21 CO 0.00 0.42 1.17 1.52 -0.10 0.00 0.00 175.22 178.24 1yud s TYR 22 N -2.59 -0.09 -0.30 0.36 -0.85 0.13 -1.83 117.35 112.18 1yud s TYR 22 Ca 0.36 -0.06 -0.14 0.00 -0.52 0.00 0.00 57.07 56.70 1yud s TYR 22 Cb 0.04 0.57 0.18 0.00 0.38 0.00 0.00 41.96 43.12 1yud s TYR 22 CO 0.19 -0.42 1.05 0.50 -1.52 0.00 0.00 175.55 175.35 1yud s ARG 23 N -2.68 0.21 -0.24 -3.49 3.00 -1.19 0.14 118.95 114.69 1yud s ARG 23 Ca 0.13 0.46 -0.36 0.00 -1.00 0.00 0.00 55.73 54.95 1yud s ARG 23 Cb 0.02 0.27 -0.12 0.00 0.00 0.00 0.00 34.95 35.12 1yud s ARG 23 CO -0.03 -0.15 1.98 0.45 0.00 0.00 0.00 175.30 177.55 1yud n SER 24 N 5.15 2.67 -0.05 -2.12 2.88 -1.26 -3.13 113.62 117.76 1yud n SER 24 Ca -0.07 0.76 -0.04 0.00 -1.33 0.00 0.00 58.87 58.19 1yud n SER 24 Cb 0.53 -1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 1yud n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1yud h SER 25 N 10.10 -0.01 -5.14 -3.46 4.64 -1.33 -3.49 113.55 114.86 1yud h SER 25 Ca -0.40 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 60.55 1yud h SER 25 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 1yud h SER 25 CO 0.98 0.62 -0.52 -0.31 -0.87 0.00 0.00 176.83 176.72 1yud s TYR 26 N -1.77 0.26 -0.01 4.77 1.51 -1.18 -5.06 117.35 115.87 1yud s TYR 26 Ca -0.05 -0.66 -0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1yud s TYR 26 Cb -0.01 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1yud s TYR 26 CO 0.18 -0.41 0.02 0.50 -1.11 0.00 0.00 175.55 174.74 1yud s ARG 27 N -3.23 -0.02 0.73 -0.62 3.52 -1.26 -2.15 118.95 115.93 1yud s ARG 27 Ca 0.00 0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 55.56 1yud s ARG 27 Cb 0.02 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 1yud s ARG 27 CO -0.07 -0.10 0.65 0.45 -0.81 0.00 0.00 175.30 175.41 1yud n SER 28 N 3.72 -0.78 -0.86 -2.12 2.88 -1.00 -4.89 113.62 110.56 1yud n SER 28 Ca -0.21 0.60 0.07 0.00 -1.33 0.00 0.00 58.87 58.00 1yud n SER 28 Cb 0.54 -1.27 0.22 0.00 -0.75 0.00 0.00 64.21 62.95 1yud n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1yud n GLU 29 N -1.11 3.00 -4.22 -1.46 1.02 -1.26 -4.86 120.64 111.76 1yud n GLU 29 Ca 0.11 -2.42 -0.26 0.00 -0.02 0.00 0.00 57.16 54.57 1yud n GLU 29 Cb 0.50 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.31 1yud n GLU 29 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1yud s THR 30 N -1.66 3.68 0.29 2.62 2.01 -1.26 -5.09 115.64 116.22 1yud s THR 30 Ca 0.33 -1.49 0.10 0.00 0.31 0.00 0.00 61.69 60.94 1yud s THR 30 Cb 0.22 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1yud s THR 30 CO 0.15 -0.15 -0.03 0.00 -0.69 0.00 0.00 174.62 173.91 1yud s ALA 31 N -1.81 3.12 0.00 7.40 0.00 -1.26 -2.65 121.76 126.56 1yud s ALA 31 Ca 0.28 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1yud s ALA 31 Cb -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1yud s ALA 31 CO 0.19 0.22 0.00 0.34 0.00 0.00 0.00 175.76 176.51 1yud n PHE 32 N -0.87 0.00 -4.10 0.00 7.35 -0.87 -4.52 117.46 114.44 1yud n PHE 32 Ca -0.06 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.38 1yud n PHE 32 Cb 0.60 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.38 1yud n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1yud s ASP 33 N -3.57 5.49 0.00 -2.13 1.01 -1.02 -4.93 116.67 111.52 1yud s ASP 33 Ca 0.00 -0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.09 1yud s ASP 33 Cb 0.00 -1.41 0.04 0.00 1.01 0.00 0.00 42.92 42.56 1yud s ASP 33 CO 0.00 0.04 0.30 -2.65 0.21 0.00 0.00 175.17 173.07 1yud n PRO 34 N -0.57 0.24 -0.02 8.23 -0.02 -1.26 -2.65 135.00 138.95 1yud n PRO 34 Ca -0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.37 1yud n PRO 34 Cb 0.56 -1.05 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 1yud n PRO 34 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1yud n SER 35 N -0.55 0.61 -4.95 2.55 3.41 -1.26 -5.06 113.62 108.38 1yud n SER 35 Ca 0.01 0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.48 1yud n SER 35 Cb 0.00 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 1yud n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yud s ARG 36 N -1.59 3.39 0.64 4.33 0.52 -1.08 -5.03 118.95 120.11 1yud s ARG 36 Ca -0.08 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1yud s ARG 36 Cb 0.01 -2.65 0.09 0.00 0.52 0.00 0.00 34.95 32.92 1yud s ARG 36 CO 0.12 0.07 0.88 -0.65 0.02 0.00 0.00 175.30 175.73 1yud s GLN 37 N -4.36 2.06 0.35 3.54 -1.52 -1.26 -2.05 119.66 116.42 1yud s GLN 37 Ca 0.42 -1.19 0.13 0.00 -1.95 0.00 0.00 55.36 52.77 1yud s GLN 37 Cb -0.10 -2.46 0.66 0.00 -0.22 0.00 0.00 33.01 30.89 1yud s GLN 37 CO 0.36 -1.10 1.78 1.25 -0.25 0.00 0.00 175.29 177.34 1yud h LEU 38 N -0.18 0.00 -7.00 2.90 5.85 -1.71 0.26 115.31 115.43 1yud h LEU 38 Ca -0.36 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.46 1yud h LEU 38 Cb 1.28 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.14 1yud h LEU 38 CO 0.43 0.42 0.49 -1.66 -0.34 0.00 0.00 178.44 177.78 1yud s TRP 39 N -4.06 -0.36 0.01 1.25 1.48 -0.56 -4.01 118.94 112.70 1yud s TRP 39 Ca -0.02 0.32 0.01 0.00 -1.06 0.00 0.00 56.10 55.34 1yud s TRP 39 Cb 0.14 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.96 1yud s TRP 39 CO 0.73 -0.51 -0.03 -1.54 -4.06 0.00 0.00 176.95 171.54 1yud s SER 40 N -2.20 0.30 -0.01 -2.66 1.04 -0.48 -2.38 113.70 107.31 1yud s SER 40 Ca 0.03 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1yud s SER 40 Cb -0.01 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1yud s SER 40 CO -0.07 -0.08 -0.00 -0.55 0.98 0.00 0.00 173.24 173.52 1yud s SER 41 N -0.56 0.19 0.40 7.02 0.15 -0.91 -1.79 113.70 118.19 1yud s SER 41 Ca -0.05 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1yud s SER 41 Cb -0.04 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1yud s SER 41 CO -0.00 -0.03 0.19 0.27 1.20 0.00 0.00 173.24 174.87 1yud s ILE 42 N 0.33 0.35 0.01 6.45 -4.36 -0.64 -0.91 121.20 122.42 1yud s ILE 42 Ca -0.03 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 1yud s ILE 42 Cb -0.05 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 1yud s ILE 42 CO -0.01 0.00 -0.13 -0.31 0.24 0.00 0.00 174.94 174.74 1yud s TYR 43 N -3.25 2.72 -0.03 1.37 2.02 -1.18 -2.09 117.35 116.92 1yud s TYR 43 Ca 0.28 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1yud s TYR 43 Cb 0.02 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1yud s TYR 43 CO 0.19 0.29 0.03 0.12 -1.57 0.00 0.00 175.55 174.61 1yud s PHE 44 N -0.92 0.13 0.11 2.71 2.19 -0.66 -3.19 117.98 118.36 1yud s PHE 44 Ca 0.15 0.11 0.09 0.00 0.33 0.00 0.00 56.93 57.61 1yud s PHE 44 Cb -0.11 -0.36 -0.04 0.00 -1.31 0.00 0.00 43.02 41.21 1yud s PHE 44 CO 0.05 -0.13 -0.23 -1.17 1.83 0.00 0.00 175.22 175.57 1yud s LEU 45 N 1.35 2.30 -0.07 6.12 0.20 -0.76 0.14 118.68 127.96 1yud s LEU 45 Ca -0.05 -0.70 0.01 0.00 0.69 0.00 0.00 54.13 54.07 1yud s LEU 45 Cb -0.13 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 1yud s LEU 45 CO -0.03 0.09 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.28 1yud s LEU 46 N -1.94 1.38 0.52 -0.68 1.02 0.05 -1.07 118.68 117.96 1yud s LEU 46 Ca 0.08 -0.24 0.09 0.00 0.02 0.00 0.00 54.13 54.08 1yud s LEU 46 Cb -0.10 -0.70 0.06 0.00 0.02 0.00 0.00 46.19 45.46 1yud s LEU 46 CO 0.05 -0.04 0.68 -0.60 0.02 0.00 0.00 176.35 176.46 1yud s ARG 47 N 1.08 2.47 0.09 1.70 3.52 -1.26 -1.01 118.95 125.54 1yud s ARG 47 Ca -0.08 -1.54 -0.33 0.00 -0.13 0.00 0.00 55.73 53.65 1yud s ARG 47 Cb -0.14 -2.63 -0.14 0.00 -1.56 0.00 0.00 34.95 30.47 1yud s ARG 47 CO -0.01 -0.64 1.52 1.15 -0.81 0.00 0.00 175.30 176.51 1yud h THR 48 N 0.39 0.00 0.00 4.11 2.02 -1.82 -1.24 112.91 116.37 1yud h THR 48 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1yud h THR 48 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1yud h THR 48 CO 0.44 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1yud n GLY 49 N -1.47 0.41 3.87 2.16 0.00 -1.26 -4.82 105.19 104.08 1yud n GLY 49 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1yud n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 50 N -1.36 2.72 -0.11 1.61 0.41 -0.47 -5.06 118.70 116.44 1yud s GLU 50 Ca 0.00 -1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 52.94 1yud s GLU 50 Cb 0.00 -2.49 0.12 0.00 -1.78 0.00 0.00 34.13 29.97 1yud s GLU 50 CO 0.00 0.02 0.97 0.14 -0.49 0.00 0.00 175.26 175.90 1yud s VAL 51 N -2.33 0.00 -0.59 2.63 -7.23 -1.26 -4.74 120.40 106.88 1yud s VAL 51 Ca 0.43 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.45 1yud s VAL 51 Cb -0.06 -1.00 0.15 0.00 0.56 0.00 0.00 36.38 36.03 1yud s VAL 51 CO 0.27 0.00 0.54 -0.55 -0.31 0.00 0.00 175.10 175.05 1yud s SER 52 N -1.66 6.26 0.76 4.85 0.15 -0.87 -3.68 113.70 119.51 1yud s SER 52 Ca 0.01 -1.96 -0.15 0.00 0.70 0.00 0.00 55.95 54.55 1yud s SER 52 Cb -0.01 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1yud s SER 52 CO -0.02 -0.80 0.94 1.41 1.20 0.00 0.00 173.24 175.96 1yud n HIS 53 N 5.01 0.50 -1.61 3.44 8.25 -0.70 -2.16 115.22 127.94 1yud n HIS 53 Ca -0.09 0.38 -0.49 0.00 -0.26 0.00 0.00 57.72 57.26 1yud n HIS 53 Cb 0.41 -2.05 -0.04 0.00 1.12 0.00 0.00 29.99 29.43 1yud n HIS 53 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yud n PHE 54 N -2.78 1.64 -3.47 4.41 3.01 0.23 -4.60 117.46 115.91 1yud n PHE 54 Ca 0.12 0.57 -0.10 0.00 1.01 0.00 0.00 57.45 59.05 1yud n PHE 54 Cb 0.50 -2.36 -0.02 0.00 -0.01 0.00 0.00 39.48 37.59 1yud n PHE 54 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1yud s HIS 55 N 0.18 -0.44 0.07 1.38 -3.43 -1.05 -2.65 115.29 109.36 1yud s HIS 55 Ca 0.76 0.26 0.09 0.00 -0.80 0.00 0.00 55.06 55.37 1yud s HIS 55 Cb -0.82 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 30.85 1yud s HIS 55 CO 0.48 -0.73 -0.24 0.50 -2.00 0.00 0.00 174.74 172.75 1yud s ARG 56 N -3.48 1.50 0.01 -0.38 3.52 0.45 -1.61 118.95 118.97 1yud s ARG 56 Ca 0.03 -1.13 0.08 0.00 -0.13 0.00 0.00 55.73 54.58 1yud s ARG 56 Cb -0.01 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.61 1yud s ARG 56 CO -0.11 0.44 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.06 1yud s LEU 57 N -1.51 2.10 0.00 -0.88 1.02 -1.26 -1.79 118.68 116.36 1yud s LEU 57 Ca 0.10 -0.51 0.25 0.00 0.02 0.00 0.00 54.13 54.00 1yud s LEU 57 Cb -0.10 -1.25 1.40 0.00 0.02 0.00 0.00 46.19 46.26 1yud s LEU 57 CO 0.03 0.27 1.91 1.07 0.02 0.00 0.00 176.35 179.65 1yud n THR 58 N 2.15 0.02 -4.08 5.49 5.66 -0.89 -2.46 114.28 120.16 1yud n THR 58 Ca -0.16 -0.05 -0.10 0.00 -3.05 0.00 0.00 64.05 60.69 1yud n THR 58 Cb 0.52 -0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 68.95 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yud s ALA 59 N -1.98 0.55 0.44 1.79 0.00 -1.26 -4.85 121.76 116.44 1yud s ALA 59 Ca 0.37 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 1yud s ALA 59 Cb 0.18 0.91 -0.08 0.00 0.00 0.00 0.00 23.12 24.13 1yud s ALA 59 CO 0.29 -0.56 1.20 -0.51 0.00 0.00 0.00 175.76 176.18 1yud s ASP 60 N -3.03 6.23 0.00 0.00 -0.00 -1.26 -4.06 116.67 114.55 1yud s ASP 60 Ca 0.23 2.41 0.00 0.00 -0.00 0.00 0.00 52.55 55.19 1yud s ASP 60 Cb 0.06 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.36 1yud s ASP 60 CO 0.02 -0.88 0.00 1.21 -0.00 0.00 0.00 175.17 175.52 1yud n GLU 61 N -0.25 1.15 -3.51 8.23 2.13 -0.87 -3.36 120.64 124.16 1yud n GLU 61 Ca 0.06 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.88 1yud n GLU 61 Cb 0.47 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.13 1yud n GLU 61 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1yud s TRP 63 N -1.37 -0.68 -0.33 4.31 0.52 0.22 -2.03 118.94 119.58 1yud s TRP 63 Ca 0.00 1.24 -0.02 0.00 0.02 0.00 0.00 56.10 57.35 1yud s TRP 63 Cb 0.00 0.41 0.07 0.00 -1.15 0.00 0.00 33.47 32.80 1yud s TRP 63 CO 0.00 -0.34 0.05 0.71 0.02 0.00 0.00 176.95 177.39 1yud s TYR 64 N 2.06 3.37 0.08 -1.98 2.02 0.11 -1.39 117.35 121.62 1yud s TYR 64 Ca -0.05 -2.08 -0.31 0.00 -0.37 0.00 0.00 57.07 54.26 1yud s TYR 64 Cb -0.05 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1yud s TYR 64 CO -0.17 -0.85 1.74 0.12 -1.57 0.00 0.00 175.55 174.82 1yud s PHE 65 N 1.20 2.23 -0.24 2.71 5.36 0.12 -0.88 117.98 128.47 1yud s PHE 65 Ca -0.01 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1yud s PHE 65 Cb -0.20 -4.06 -0.16 0.00 -0.34 0.00 0.00 43.02 38.26 1yud s PHE 65 CO -0.02 -4.34 -0.21 0.72 -1.46 0.00 0.00 175.22 169.91 1yud n HIS 66 N 5.82 0.00 -1.53 10.12 8.25 -0.89 -4.92 115.22 132.08 1yud n HIS 66 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1yud n HIS 66 Cb 0.40 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1yud n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yud n ALA 67 N -3.19 0.00 -0.68 -1.41 0.00 -0.52 -4.99 120.51 109.73 1yud n ALA 67 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1yud n ALA 67 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1yud n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yud n GLY 68 N -0.01 0.76 3.79 0.00 0.00 -1.26 -2.68 105.19 105.79 1yud n GLY 68 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1yud n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yud s GLN 69 N 0.00 3.59 0.56 1.61 1.11 0.21 -4.95 119.66 121.80 1yud s GLN 69 Ca 0.00 1.41 -0.15 0.00 0.01 0.00 0.00 55.36 56.64 1yud s GLN 69 Cb 0.00 -2.06 -0.06 0.00 -1.01 0.00 0.00 33.01 29.88 1yud s GLN 69 CO 0.00 -0.61 1.01 -1.54 0.01 0.00 0.00 175.29 174.15 1yud s SER 70 N -2.04 6.38 0.24 5.90 1.04 -1.26 -4.72 113.70 119.24 1yud s SER 70 Ca 0.68 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.77 1yud s SER 70 Cb -0.18 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1yud s SER 70 CO 0.24 -0.76 -0.08 -0.76 0.98 0.00 0.00 173.24 172.86 1yud s LEU 71 N -4.47 2.97 -0.18 2.42 1.43 -0.76 -0.28 118.68 119.80 1yud s LEU 71 Ca 0.58 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1yud s LEU 71 Cb -0.11 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1yud s LEU 71 CO 0.39 0.05 -0.15 -0.89 0.23 0.00 0.00 176.35 175.98 1yud s THR 72 N -2.13 2.55 -0.24 5.49 2.01 0.10 -1.18 115.64 122.24 1yud s THR 72 Ca 0.29 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1yud s THR 72 Cb -0.07 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1yud s THR 72 CO 0.17 0.50 0.19 -0.63 -0.69 0.00 0.00 174.62 174.17 1yud s ILE 73 N 1.17 5.34 0.46 1.82 1.01 0.66 -2.11 121.20 129.54 1yud s ILE 73 Ca 0.02 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1yud s ILE 73 Cb -0.14 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1yud s ILE 73 CO -0.06 0.33 0.56 -0.31 0.00 0.00 0.00 174.94 175.46 1yud s TYR 74 N 1.13 2.45 -0.30 3.97 1.51 -1.04 -2.00 117.35 123.06 1yud s TYR 74 Ca 0.09 -0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 55.53 1yud s TYR 74 Cb -0.14 -2.28 0.18 0.00 -0.11 0.00 0.00 41.96 39.61 1yud s TYR 74 CO 0.05 -0.50 0.94 0.42 -1.11 0.00 0.00 175.55 175.35 1yud s ILE 76 N -2.46 -0.51 0.94 2.71 1.01 -1.00 -1.33 121.20 120.56 1yud s ILE 76 Ca 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1yud s ILE 76 Cb -0.07 -1.00 0.16 0.00 0.01 0.00 0.00 42.46 41.55 1yud s ILE 76 CO 0.33 0.00 1.09 -0.94 0.00 0.00 0.00 174.94 175.42 1yud s SER 77 N 2.81 2.94 0.00 3.58 1.04 0.12 -2.78 113.70 121.41 1yud s SER 77 Ca 0.03 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 1yud s SER 77 Cb -0.10 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 1yud s SER 77 CO -0.15 -3.01 2.26 -0.81 0.98 0.00 0.00 173.24 172.51 1yud n PRO 78 N -4.15 1.17 0.00 4.02 -0.04 -1.26 -1.12 135.00 133.63 1yud n PRO 78 Ca 0.08 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1yud n PRO 78 Cb 0.54 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1yud n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yud n GLU 79 N 1.99 0.00 -0.51 0.54 4.71 -1.26 -5.00 120.64 121.11 1yud n GLU 79 Ca 0.15 -0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1yud n GLU 79 Cb 0.56 -0.21 0.00 0.00 -1.01 0.00 0.00 31.44 30.78 1yud n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yud n GLY 80 N 0.00 1.46 3.66 0.62 0.00 -0.27 -5.01 105.19 105.64 1yud n GLY 80 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1yud n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yud s GLU 81 N -0.20 4.22 -0.13 1.61 2.12 -1.25 -4.75 118.70 120.32 1yud s GLU 81 Ca 0.00 1.66 -0.17 0.00 0.36 0.00 0.00 54.97 56.83 1yud s GLU 81 Cb 0.00 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1yud s GLU 81 CO 0.00 -0.72 0.42 -1.17 -0.54 0.00 0.00 175.26 173.24 1yud s LEU 82 N 3.54 4.27 0.32 2.70 2.96 -1.26 0.12 118.68 131.34 1yud s LEU 82 Ca 0.55 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 1yud s LEU 82 Cb -0.22 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1yud s LEU 82 CO 0.15 0.04 0.11 0.42 -1.32 0.00 0.00 176.35 175.76 1yud s THR 83 N 0.51 0.64 -0.02 3.68 -4.23 -1.26 -5.00 115.64 109.95 1yud s THR 83 Ca 0.23 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.52 1yud s THR 83 Cb -0.14 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1yud s THR 83 CO 0.08 0.00 0.46 0.42 -0.54 0.00 0.00 174.62 175.05 1yud s THR 84 N -3.49 0.03 0.05 3.99 -4.23 -1.26 -4.59 115.64 106.14 1yud s THR 84 Ca 0.34 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1yud s THR 84 Cb 0.06 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 1yud s THR 84 CO 0.15 -0.16 -0.07 0.00 -0.54 0.00 0.00 174.62 174.01 1yud s ALA 85 N -1.40 0.59 -0.03 3.99 0.00 -0.85 -4.97 121.76 119.09 1yud s ALA 85 Ca -0.12 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1yud s ALA 85 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1yud s ALA 85 CO 0.06 -0.08 -0.21 -0.65 0.00 0.00 0.00 175.76 174.87 1yud s GLN 86 N -2.04 2.29 -0.06 0.00 -0.21 -1.26 -0.25 119.66 118.13 1yud s GLN 86 Ca -0.06 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.52 1yud s GLN 86 Cb -0.07 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 1yud s GLN 86 CO -0.01 0.58 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.45 1yud s LEU 87 N -0.65 2.82 0.00 2.90 2.96 -0.33 -2.63 118.68 123.76 1yud s LEU 87 Ca 0.10 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1yud s LEU 87 Cb -0.10 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1yud s LEU 87 CO -0.00 0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.97 1yud n GLY 88 N 2.41 -0.34 0.00 7.98 0.00 0.31 -1.83 105.19 113.73 1yud n GLY 88 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1yud n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yud n LEU 89 N 0.00 0.01 -4.07 0.99 4.77 -1.26 -1.96 117.00 115.48 1yud n LEU 89 Ca 0.00 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.18 1yud n LEU 89 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1yud n LEU 89 CO 0.00 0.00 2.17 -0.67 -1.33 0.00 0.00 177.39 177.57 1yud n ASP 90 N -0.78 3.71 0.28 -1.43 4.64 -1.26 -4.75 116.55 116.97 1yud n ASP 90 Ca 0.00 -2.80 0.18 0.00 -1.38 0.00 0.00 54.79 50.79 1yud n ASP 90 Cb 0.00 -1.57 0.90 0.00 -1.04 0.00 0.00 41.12 39.41 1yud n ASP 90 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1yud h LEU 91 N 12.83 0.00 -0.80 -2.67 3.38 -1.91 -1.56 115.31 124.58 1yud h LEU 91 Ca 0.45 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.44 1yud h LEU 91 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1yud h LEU 91 CO 1.69 0.00 0.52 0.00 0.09 0.00 0.00 178.44 180.73 1yud h ALA 92 N 1.58 1.05 -3.81 1.53 0.00 -1.86 -3.42 119.26 114.33 1yud h ALA 92 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1yud h ALA 92 Cb 0.53 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yud h ALA 92 CO -0.00 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.62 1yud n ALA 93 N -2.33 0.01 0.85 0.00 0.00 -0.59 -4.91 120.51 113.53 1yud n ALA 93 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1yud n ALA 93 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1yud n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yud n GLY 94 N 4.01 0.69 3.71 0.00 0.00 -1.26 -4.83 105.19 107.52 1yud n GLY 94 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1yud n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 95 N -1.21 4.40 0.09 1.61 2.02 -1.22 -4.31 118.70 120.08 1yud s GLU 95 Ca 0.00 1.84 0.06 0.00 0.02 0.00 0.00 54.97 56.89 1yud s GLU 95 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1yud s GLU 95 CO 0.00 -0.31 -0.16 0.50 0.02 0.00 0.00 175.26 175.30 1yud s ARG 96 N 1.15 0.94 0.00 1.61 6.06 -1.08 -3.83 118.95 123.80 1yud s ARG 96 Ca 0.60 -1.05 0.29 0.00 -2.50 0.00 0.00 55.73 53.07 1yud s ARG 96 Cb -0.31 -1.00 1.30 0.00 0.06 0.00 0.00 34.95 35.00 1yud s ARG 96 CO 0.29 0.22 1.96 -2.30 -2.50 0.00 0.00 175.30 172.97 1yud n PRO 97 N 1.12 0.09 -4.19 5.12 -0.02 -0.83 0.12 135.00 136.41 1yud n PRO 97 Ca -0.20 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.17 1yud n PRO 97 Cb 0.54 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.42 1yud n PRO 97 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1yud s GLN 98 N -2.91 0.91 -0.24 -0.52 -0.21 -1.26 0.12 119.66 115.55 1yud s GLN 98 Ca 0.17 -1.39 -0.27 0.00 0.02 0.00 0.00 55.36 53.89 1yud s GLN 98 Cb 0.19 -0.22 0.14 0.00 1.00 0.00 0.00 33.01 34.12 1yud s GLN 98 CO 0.52 -0.05 1.10 0.12 -2.12 0.00 0.00 175.29 174.86 1yud s PHE 99 N -3.63 -0.34 -0.28 0.91 5.36 -0.49 -4.96 117.98 114.56 1yud s PHE 99 Ca 0.15 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.82 1yud s PHE 99 Cb 0.05 0.42 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 1yud s PHE 99 CO -0.02 -0.23 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.33 1yud s LEU 100 N -0.43 3.59 -0.41 6.12 2.96 -1.26 0.69 118.68 129.94 1yud s LEU 100 Ca 0.02 -1.02 -0.21 0.00 -0.22 0.00 0.00 54.13 52.71 1yud s LEU 100 Cb -0.03 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1yud s LEU 100 CO -0.05 -0.20 0.64 0.54 -1.32 0.00 0.00 176.35 175.97 1yud s VAL 101 N 1.32 4.85 0.27 1.68 0.11 -0.86 -4.95 120.40 122.81 1yud s VAL 101 Ca -0.02 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 1yud s VAL 101 Cb -0.18 -4.16 -0.11 0.00 -1.53 0.00 0.00 36.38 30.40 1yud s VAL 101 CO -0.02 -0.51 1.53 -2.16 -3.33 0.00 0.00 175.10 170.61 1yud s PRO 102 N 2.78 4.19 0.38 1.54 0.04 -1.26 -2.04 135.00 140.63 1yud s PRO 102 Ca 0.23 2.45 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 1yud s PRO 102 Cb -0.14 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.22 1yud s PRO 102 CO 0.18 -0.55 1.28 0.36 0.04 0.00 0.00 177.00 178.31 1yud n LYS 103 N 2.39 2.03 0.00 4.56 2.85 -1.26 -3.22 118.16 125.52 1yud n LYS 103 Ca 0.08 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 58.06 1yud n LYS 103 Cb 0.39 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1yud n LYS 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1yud n GLY 104 N 0.79 1.15 3.91 2.58 0.00 -1.03 -4.96 105.19 107.63 1yud n GLY 104 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1yud n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yud s ILE 106 N -2.42 3.86 0.19 0.00 1.01 -1.12 -4.13 121.20 118.59 1yud s ILE 106 Ca 0.49 -1.53 0.11 0.00 0.00 0.00 0.00 60.65 59.72 1yud s ILE 106 Cb -0.05 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1yud s ILE 106 CO 0.29 -0.49 -0.21 0.72 0.00 0.00 0.00 174.94 175.26 1yud s PHE 107 N 1.34 2.38 0.00 3.97 -0.71 -0.63 -2.38 117.98 121.95 1yud s PHE 107 Ca 0.03 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 1yud s PHE 107 Cb -0.22 -1.17 0.00 0.00 -1.21 0.00 0.00 43.02 40.41 1yud s PHE 107 CO 0.00 0.50 0.00 0.41 -1.34 0.00 0.00 175.22 174.80 1yud n GLY 108 N 0.21 4.81 3.64 1.99 0.00 -0.44 -2.52 105.19 112.88 1yud n GLY 108 Ca -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1yud n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yud s SER 109 N -0.28 -0.09 0.00 1.61 0.15 -0.92 -2.51 113.70 111.66 1yud s SER 109 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1yud s SER 109 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1yud s SER 109 CO 0.00 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.39 1yud n ALA 110 N 1.19 0.00 -0.16 5.45 0.00 -0.90 -2.06 120.51 124.03 1yud n ALA 110 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1yud n ALA 110 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1yud n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1yud n ASN 112 N 0.00 0.34 -3.61 0.00 5.03 0.61 -0.72 115.26 116.92 1yud n ASN 112 Ca 0.00 -0.67 -0.16 0.00 0.87 0.00 0.00 54.58 54.62 1yud n ASN 112 Cb 0.00 0.34 -0.07 0.00 -1.02 0.00 0.00 39.78 39.03 1yud n ASN 112 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1yud s GLN 113 N -0.34 0.93 1.07 3.52 2.00 -1.26 -5.05 119.66 120.53 1yud s GLN 113 Ca 0.00 0.02 -0.14 0.00 -2.00 0.00 0.00 55.36 53.24 1yud s GLN 113 Cb 0.00 0.43 0.15 0.00 0.80 0.00 0.00 33.01 34.39 1yud s GLN 113 CO 0.00 -0.29 0.56 -0.25 -0.50 0.00 0.00 175.29 174.81 1yud n ASP 114 N 0.94 -1.72 0.00 6.67 8.00 -1.26 -4.75 116.55 124.43 1yud n ASP 114 Ca -0.20 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1yud n ASP 114 Cb 0.57 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1yud n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yud n GLY 115 N 1.35 0.05 3.22 0.44 0.00 -1.26 -4.91 105.19 104.08 1yud n GLY 115 Ca 0.04 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1yud n GLY 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yud s PHE 116 N 0.00 1.21 -0.25 1.61 -0.71 -1.26 -2.09 117.98 116.49 1yud s PHE 116 Ca 0.00 -1.29 -0.11 0.00 -1.04 0.00 0.00 56.93 54.50 1yud s PHE 116 Cb 0.00 -0.64 0.10 0.00 -1.21 0.00 0.00 43.02 41.27 1yud s PHE 116 CO 0.00 -0.52 0.57 0.45 -1.34 0.00 0.00 175.22 174.38 1yud s SER 117 N -3.18 -0.79 -0.09 1.98 0.15 -0.18 -0.61 113.70 110.97 1yud s SER 117 Ca 0.35 1.32 0.04 0.00 0.70 0.00 0.00 55.95 58.36 1yud s SER 117 Cb 0.07 1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 65.99 1yud s SER 117 CO 0.10 -0.22 -0.22 -0.22 1.20 0.00 0.00 173.24 173.88 1yud s LEU 118 N 2.29 2.24 0.00 3.45 2.96 -1.09 -0.77 118.68 127.75 1yud s LEU 118 Ca -0.07 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1yud s LEU 118 Cb -0.10 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1yud s LEU 118 CO -0.17 0.19 0.10 0.52 -1.32 0.00 0.00 176.35 175.68 1yud n VAL 119 N 3.32 0.00 -3.94 1.68 0.31 0.12 -1.43 118.33 118.38 1yud n VAL 119 Ca -0.18 -2.13 -0.22 0.00 -0.01 0.00 0.00 64.34 61.80 1yud n VAL 119 Cb 0.53 0.69 -0.17 0.00 -0.91 0.00 0.00 33.84 33.98 1yud n VAL 119 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yud s GLY 120 N -3.30 0.48 0.00 2.92 0.00 -0.06 -1.65 107.32 105.71 1yud s GLY 120 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1yud s GLY 120 CO 0.10 0.81 0.00 0.00 0.00 0.00 0.00 173.10 174.01 1yud s VAL 123 N -0.14 -0.06 0.00 0.00 -7.23 -0.74 -1.62 120.40 110.61 1yud s VAL 123 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1yud s VAL 123 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1yud s VAL 123 CO 0.00 0.00 0.56 -0.24 -0.31 0.00 0.00 175.10 175.11 1yud n SER 124 N 3.80 0.00 -4.58 4.85 2.88 -1.21 -1.38 113.62 117.98 1yud n SER 124 Ca -0.17 0.69 -0.42 0.00 -1.33 0.00 0.00 58.87 57.64 1yud n SER 124 Cb 0.57 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1yud n SER 124 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1yud n PRO 125 N -1.62 1.64 -0.34 -1.46 -0.02 -1.26 -1.49 135.00 130.45 1yud n PRO 125 Ca 0.00 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1yud n PRO 125 Cb 0.00 -3.23 -0.02 0.00 -0.02 0.00 0.00 33.50 30.23 1yud n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yud n GLY 126 N 5.90 0.01 3.71 -1.23 0.00 0.92 -4.73 105.19 109.77 1yud n GLY 126 Ca 0.33 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1yud n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yud s PHE 127 N 0.46 2.66 0.32 1.61 5.36 -1.26 -4.53 117.98 122.60 1yud s PHE 127 Ca 0.21 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 1yud s PHE 127 Cb -0.29 -4.07 -0.05 0.00 -0.34 0.00 0.00 43.02 38.27 1yud s PHE 127 CO 0.15 -4.17 0.09 0.95 -1.46 0.00 0.00 175.22 170.79 1yud s THR 128 N 1.83 0.84 -1.53 0.12 -4.23 -1.26 -5.03 115.64 106.38 1yud s THR 128 Ca 0.75 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.54 1yud s THR 128 Cb -0.46 -2.65 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1yud s THR 128 CO 0.33 0.00 1.73 0.49 -0.54 0.00 0.00 174.62 176.63 1yud n PHE 129 N -0.66 0.00 0.52 3.99 3.72 -1.26 -2.84 117.46 120.94 1yud n PHE 129 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 1yud n PHE 129 Cb 0.66 -0.20 0.17 0.00 -0.94 0.00 0.00 39.48 39.17 1yud n PHE 129 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1yud n ASP 130 N -1.00 2.52 -0.43 4.37 8.00 -1.26 -2.69 116.55 126.06 1yud n ASP 130 Ca 0.12 -2.20 0.04 0.00 0.71 0.00 0.00 54.79 53.46 1yud n ASP 130 Cb 0.31 -0.39 0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1yud n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1yud n ASP 131 N 0.44 1.03 -3.95 -2.24 8.00 -1.13 -4.97 116.55 113.72 1yud n ASP 131 Ca 0.13 -2.50 -0.15 0.00 0.71 0.00 0.00 54.79 52.97 1yud n ASP 131 Cb 0.48 -0.31 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 1yud n ASP 131 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1yud s PHE 132 N -1.22 0.41 -0.23 1.24 5.36 -1.09 -2.10 117.98 120.34 1yud s PHE 132 Ca 0.17 -0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 1yud s PHE 132 Cb 0.15 -0.26 0.12 0.00 -0.34 0.00 0.00 43.02 42.69 1yud s PHE 132 CO -0.01 -0.01 0.35 -2.00 -1.46 0.00 0.00 175.22 172.09 1yud s GLU 133 N -0.13 0.32 0.59 10.12 2.12 -0.74 -4.96 118.70 126.01 1yud s GLU 133 Ca 0.02 0.49 -0.06 0.00 0.36 0.00 0.00 54.97 55.78 1yud s GLU 133 Cb -0.02 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.80 1yud s GLU 133 CO -0.00 -0.63 0.91 -1.17 -0.54 0.00 0.00 175.26 173.83 1yud s LEU 134 N 2.51 3.24 0.03 2.70 2.96 -1.26 -0.41 118.68 128.45 1yud s LEU 134 Ca 0.11 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1yud s LEU 134 Cb -0.15 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1yud s LEU 134 CO -0.15 -1.04 -0.12 -0.36 -1.32 0.00 0.00 176.35 173.35 1yud s PHE 135 N -3.00 1.09 0.51 5.38 0.40 -1.08 -4.91 117.98 116.36 1yud s PHE 135 Ca 0.54 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 56.34 1yud s PHE 135 Cb -0.11 -0.65 -0.07 0.00 0.51 0.00 0.00 43.02 42.70 1yud s PHE 135 CO 0.46 0.01 1.11 0.45 0.70 0.00 0.00 175.22 177.95 1yud s SER 136 N -1.00 5.96 0.34 1.36 0.15 -1.26 -4.80 113.70 114.45 1yud s SER 136 Ca 0.01 2.13 0.07 0.00 0.70 0.00 0.00 55.95 58.85 1yud s SER 136 Cb -0.07 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.29 1yud s SER 136 CO 0.01 -1.05 1.84 -0.61 1.20 0.00 0.00 173.24 174.63 1yud h GLN 137 N 1.43 0.34 0.18 5.44 4.15 -1.75 -1.17 115.11 123.73 1yud h GLN 137 Ca -0.50 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 58.82 1yud h GLN 137 Cb 1.25 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1yud h GLN 137 CO 0.58 0.50 -0.09 0.93 -1.93 0.00 0.00 178.83 178.82 1yud h GLU 138 N 0.31 -0.24 -0.29 1.69 3.07 -1.91 -0.55 114.58 116.67 1yud h GLU 138 Ca 0.06 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1yud h GLU 138 Cb 0.48 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1yud h GLU 138 CO 0.03 0.15 0.38 0.00 -1.40 0.00 0.00 179.01 178.17 1yud h ALA 139 N -0.02 1.90 0.00 3.43 0.00 -1.87 -0.49 119.26 122.20 1yud h ALA 139 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yud h ALA 139 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yud h ALA 139 CO 0.04 -0.53 -1.36 1.28 0.00 0.00 0.00 179.25 178.69 1yud n LEU 140 N -3.55 0.50 0.07 0.00 4.77 -0.47 -4.09 117.00 114.23 1yud n LEU 140 Ca 0.04 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1yud n LEU 140 Cb 0.52 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1yud n LEU 140 CO 0.24 -0.07 -0.06 -0.07 -1.33 0.00 0.00 177.39 176.10 1yud h LEU 141 N 0.00 0.00 0.00 2.23 4.07 0.48 -3.38 115.31 118.70 1yud h LEU 141 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1yud h LEU 141 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1yud h LEU 141 CO 0.00 0.49 0.00 0.00 -1.08 0.00 0.00 178.44 177.85 1yud n ALA 142 N -2.33 1.98 -1.56 1.53 0.00 -0.65 -3.46 120.51 116.01 1yud n ALA 142 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1yud n ALA 142 Cb 0.78 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1yud n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yud n TYR 144 N -0.57 0.00 0.29 0.00 4.01 -1.26 -5.02 117.16 114.60 1yud n TYR 144 Ca 0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.91 1yud n TYR 144 Cb 0.01 0.00 0.88 0.00 -0.31 0.00 0.00 39.34 39.91 1yud n TYR 144 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yud h PRO 145 N 0.59 0.00 0.00 -0.72 0.11 -1.79 -2.19 132.00 128.00 1yud h PRO 145 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yud h PRO 145 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yud h PRO 145 CO 0.00 0.05 0.00 -0.56 -0.21 0.00 0.00 178.00 177.28 1yud h GLN 146 N 0.00 0.00 -1.07 1.05 -0.00 -1.94 -3.01 115.11 110.14 1yud h GLN 146 Ca -0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.03 1yud h GLN 146 Cb 0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 27.29 1yud h GLN 146 CO 0.01 0.00 -0.02 0.72 -0.00 0.00 0.00 178.83 179.53 1yud n HIS 147 N -2.40 3.03 0.01 0.06 8.25 -0.82 -4.82 115.22 118.52 1yud n HIS 147 Ca -0.01 -2.63 -0.01 0.00 -0.26 0.00 0.00 57.72 54.82 1yud n HIS 147 Cb 0.10 -0.78 -0.00 0.00 1.12 0.00 0.00 29.99 30.43 1yud n HIS 147 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yud h LYS 148 N 2.26 -0.04 -0.87 -0.41 3.64 -1.73 0.03 116.57 119.44 1yud h LYS 148 Ca 0.46 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.99 1yud h LYS 148 Cb 1.05 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 1yud h LYS 148 CO 1.13 -0.03 -0.32 0.00 -2.27 0.00 0.00 179.45 177.97 1yud n ALA 149 N -2.40 -0.05 -0.04 5.00 0.00 -1.26 -1.01 120.51 120.76 1yud n ALA 149 Ca -0.00 0.89 -0.17 0.00 0.00 0.00 0.00 53.44 54.16 1yud n ALA 149 Cb 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1yud n ALA 149 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1yud h VAL 150 N 0.00 1.28 0.00 0.00 3.04 -1.93 -3.07 116.25 115.57 1yud h VAL 150 Ca 0.32 -1.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 1yud h VAL 150 Cb 0.54 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1yud h VAL 150 CO -0.87 0.61 0.00 0.52 -1.01 0.00 0.00 177.57 176.82 1yud n VAL 151 N -3.96 0.85 -0.01 1.51 0.31 -0.01 -1.07 118.33 115.95 1yud n VAL 151 Ca -0.06 0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1yud n VAL 151 Cb 0.71 -1.05 -0.16 0.00 -0.91 0.00 0.00 33.84 32.44 1yud n VAL 151 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yud n GLN 152 N -1.31 0.66 0.13 5.55 6.02 -0.79 -3.42 117.38 124.22 1yud n GLN 152 Ca 0.04 -0.16 0.04 0.00 -0.01 0.00 0.00 57.00 56.91 1yud n GLN 152 Cb 0.08 -1.54 0.02 0.00 1.02 0.00 0.00 30.24 29.82 1yud n GLN 152 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1yud h LYS 153 N 0.00 0.00 0.00 -1.09 3.64 -1.07 -3.34 116.57 114.71 1yud h LYS 153 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1yud h LYS 153 Cb 1.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1yud h LYS 153 CO 0.00 0.38 -0.53 1.28 -2.27 0.00 0.00 179.45 178.32 1yud n LEU 154 N -3.13 2.52 -3.64 5.20 4.77 -1.02 -5.00 117.00 116.70 1yud n LEU 154 Ca 0.00 -3.67 -0.14 0.00 -0.03 0.00 0.00 56.01 52.17 1yud n LEU 154 Cb 0.72 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1yud n LEU 154 CO 0.40 1.28 0.37 -0.44 -1.33 0.00 0.00 177.39 177.68 1yud s SER 155 N -3.09 -0.71 0.15 -1.43 0.01 -1.22 -0.60 113.70 106.81 1yud s SER 155 Ca 0.37 1.37 0.05 0.00 1.31 0.00 0.00 55.95 59.05 1yud s SER 155 Cb 0.37 1.38 -0.04 0.00 0.21 0.00 0.00 66.02 67.94 1yud s SER 155 CO -0.07 -0.24 0.11 -0.13 0.41 0.00 0.00 173.24 173.32 1yud s ARG 156 N 0.39 2.83 0.76 12.44 0.52 -1.26 -4.67 118.95 129.96 1yud s ARG 156 Ca -0.00 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.21 1yud s ARG 156 Cb -0.05 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.86 1yud s ARG 156 CO 0.00 0.49 1.13 -1.25 0.02 0.00 0.00 175.30 175.69 1yud s PRO 157 N -2.97 2.14 0.00 3.54 0.04 -1.26 -2.75 135.00 133.74 1yud s PRO 157 Ca 0.30 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1yud s PRO 157 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1yud s PRO 157 CO 0.22 -1.76 0.00 0.39 0.04 0.00 0.00 177.00 175.89