#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yud s ASN 3 N 0.00 3.90 0.48 1.69 2.47 -1.26 -5.04 114.94 117.18 1yud s ASN 3 Ca 0.00 -0.78 0.23 0.00 0.42 0.00 0.00 52.86 52.73 1yud s ASN 3 Cb 0.00 -0.50 1.21 0.00 -1.45 0.00 0.00 41.25 40.50 1yud s ASN 3 CO 0.00 0.08 1.98 0.00 -3.72 0.00 0.00 177.10 175.44 1yud h ALA 4 N 2.67 1.29 0.00 1.71 0.00 -2.00 -2.88 119.26 120.04 1yud h ALA 4 Ca -0.45 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1yud h ALA 4 Cb 1.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yud h ALA 4 CO 0.55 0.23 -1.12 -0.44 0.00 0.00 0.00 179.25 178.47 1yud h ASP 5 N 0.00 0.00 -0.42 0.00 3.32 -2.00 -3.33 116.42 113.98 1yud h ASP 5 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1yud h ASP 5 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1yud h ASP 5 CO 0.02 0.40 0.13 0.44 -1.72 0.00 0.00 179.24 178.52 1yud h ASP 6 N 0.00 0.67 0.29 6.45 3.32 -1.93 -0.49 116.42 124.73 1yud h ASP 6 Ca -0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1yud h ASP 6 Cb 1.38 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1yud h ASP 6 CO 0.04 0.65 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.81 1yud h PHE 7 N 0.71 -0.36 -0.24 4.55 -1.00 -1.67 0.57 116.94 119.50 1yud h PHE 7 Ca 0.16 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.97 1yud h PHE 7 Cb 0.24 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1yud h PHE 7 CO 0.01 -0.09 0.16 0.97 -1.61 0.00 0.00 178.31 177.76 1yud h ILE 8 N -0.61 0.96 0.05 -0.55 6.09 -1.62 0.19 117.51 122.03 1yud h ILE 8 Ca -0.04 -0.05 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1yud h ILE 8 Cb 0.44 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1yud h ILE 8 CO 0.07 0.03 -0.03 0.50 -3.07 0.00 0.00 178.15 175.65 1yud h LYS 9 N 0.16 -0.07 -0.77 2.19 3.64 -0.71 0.20 116.57 121.21 1yud h LYS 9 Ca 0.10 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1yud h LYS 9 Cb 0.22 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1yud h LYS 9 CO -0.02 -0.05 0.43 0.74 -2.27 0.00 0.00 179.45 178.29 1yud h PHE 10 N -0.25 0.79 0.00 1.91 0.04 0.16 0.13 116.94 119.72 1yud h PHE 10 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1yud h PHE 10 Cb 0.06 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.97 1yud h PHE 10 CO 0.04 0.33 0.00 1.28 -0.60 0.00 0.00 178.31 179.36 1yud n LEU 11 N -4.77 0.74 -3.09 1.54 4.77 0.68 -4.92 117.00 111.95 1yud n LEU 11 Ca 0.12 0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1yud n LEU 11 Cb 0.25 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1yud n LEU 11 CO 0.27 -0.32 0.07 -0.62 -1.33 0.00 0.00 177.39 175.45 1yud n GLU 12 N -2.24 -4.28 -2.10 3.23 1.02 0.44 -4.95 120.64 111.77 1yud n GLU 12 Ca 0.04 0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 57.62 1yud n GLU 12 Cb 0.35 -5.40 -0.01 0.00 -0.02 0.00 0.00 31.44 26.37 1yud n GLU 12 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yud s LEU 13 N -5.53 3.43 0.03 -4.62 1.43 0.67 -4.84 118.68 109.24 1yud s LEU 13 Ca 0.16 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.85 1yud s LEU 13 Cb -0.02 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1yud s LEU 13 CO 0.64 -0.83 -0.09 -1.61 0.23 0.00 0.00 176.35 174.69 1yud s GLU 14 N -4.54 0.65 0.25 1.70 2.02 0.62 -4.86 118.70 114.54 1yud s GLU 14 Ca 0.58 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 1yud s GLU 14 Cb -0.11 -0.56 -0.15 0.00 0.10 0.00 0.00 34.13 33.41 1yud s GLU 14 CO 0.42 0.13 0.90 1.04 0.02 0.00 0.00 175.26 177.77 1yud n GLN 15 N 2.00 0.94 -4.37 1.61 6.02 -1.26 -0.79 117.38 121.54 1yud n GLN 15 Ca -0.18 0.33 -0.34 0.00 -0.01 0.00 0.00 57.00 56.80 1yud n GLN 15 Cb 0.56 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 30.08 1yud n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1yud s HIS 16 N -0.91 3.05 0.63 1.08 5.65 0.89 -4.75 115.29 120.93 1yud s HIS 16 Ca 0.62 -0.22 0.24 0.00 0.25 0.00 0.00 55.06 55.95 1yud s HIS 16 Cb -0.79 -1.95 1.20 0.00 -1.18 0.00 0.00 32.58 29.86 1yud s HIS 16 CO 0.58 0.02 1.66 -0.24 -0.65 0.00 0.00 174.74 176.12 1yud h VAL 17 N 5.04 0.12 -0.01 0.89 3.04 -1.92 0.67 116.25 124.07 1yud h VAL 17 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1yud h VAL 17 Cb 1.19 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1yud h VAL 17 CO 0.63 0.00 -0.37 -1.84 -1.01 0.00 0.00 177.57 174.98 1yud n GLU 18 N -3.14 0.85 0.00 4.17 0.28 -1.26 -5.02 120.64 116.51 1yud n GLU 18 Ca 0.05 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.47 1yud n GLU 18 Cb 0.75 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 32.13 1yud n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yud n GLY 19 N 1.38 3.28 7.00 -1.84 0.00 0.23 -0.50 105.19 114.74 1yud n GLY 19 Ca 0.10 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.09 -1.03 3.40 -0.02 0.00 -1.26 -4.17 105.19 101.03 1yud n GLY 20 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 2.08 0.36 1.61 0.08 -0.77 -0.08 117.98 121.26 1yud s PHE 21 Ca 0.00 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 1yud s PHE 21 Cb 0.00 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1yud s PHE 21 CO 0.00 0.50 0.55 2.48 -0.10 0.00 0.00 175.22 178.65 1yud n TYR 22 N -0.07 -1.65 0.00 0.36 0.18 0.03 -0.35 117.16 115.65 1yud n TYR 22 Ca -0.10 -2.21 0.00 0.00 1.88 0.00 0.00 57.90 57.47 1yud n TYR 22 Cb 0.58 0.63 0.00 0.00 -0.38 0.00 0.00 39.34 40.17 1yud n TYR 22 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1yud n ARG 23 N -0.56 0.00 -1.98 -3.48 0.00 -1.14 -0.27 116.66 109.22 1yud n ARG 23 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.41 1yud n ARG 23 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.01 1yud n ARG 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1yud s SER 24 N 0.00 6.54 -0.07 6.15 0.01 -1.26 0.37 113.70 125.44 1yud s SER 24 Ca 0.00 2.13 -0.04 0.00 1.31 0.00 0.00 55.95 59.35 1yud s SER 24 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1yud s SER 24 CO 0.00 -1.05 0.19 0.77 0.41 0.00 0.00 173.24 173.56 1yud h SER 25 N 10.12 -0.13 -5.61 2.44 4.64 -1.41 -3.46 113.55 120.14 1yud h SER 25 Ca -0.39 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.65 1yud h SER 25 Cb 1.18 0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 1yud h SER 25 CO 0.96 0.27 -0.43 -0.31 -0.87 0.00 0.00 176.83 176.45 1yud s TYR 26 N -1.98 1.19 -0.23 4.77 1.51 -1.16 -5.03 117.35 116.42 1yud s TYR 26 Ca -0.02 -1.35 -0.11 0.00 -1.01 0.00 0.00 57.07 54.58 1yud s TYR 26 Cb 0.00 -0.40 0.08 0.00 -0.11 0.00 0.00 41.96 41.54 1yud s TYR 26 CO 0.07 -0.85 0.53 0.50 -1.11 0.00 0.00 175.55 174.69 1yud s ARG 27 N -3.72 0.50 0.27 -0.62 3.52 -1.26 -1.44 118.95 116.20 1yud s ARG 27 Ca 0.35 1.08 -0.27 0.00 -0.13 0.00 0.00 55.73 56.77 1yud s ARG 27 Cb 0.03 0.25 -0.15 0.00 -1.56 0.00 0.00 34.95 33.52 1yud s ARG 27 CO 0.17 -0.18 0.73 0.45 -0.81 0.00 0.00 175.30 175.66 1yud n SER 28 N 4.72 -0.13 0.11 -2.12 2.88 -0.84 -4.89 113.62 113.36 1yud n SER 28 Ca -0.17 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1yud n SER 28 Cb 0.54 -1.12 0.06 0.00 -0.75 0.00 0.00 64.21 62.94 1yud n SER 28 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1yud h GLU 29 N 1.39 0.00 -6.50 -1.46 5.08 -2.01 -3.43 114.58 107.65 1yud h GLU 29 Ca -0.35 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.48 1yud h GLU 29 Cb 1.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1yud h GLU 29 CO 0.58 0.00 0.19 0.99 -1.00 0.00 0.00 179.01 179.76 1yud s THR 30 N -3.31 4.42 0.40 1.13 2.01 -1.26 -5.02 115.64 114.01 1yud s THR 30 Ca 0.02 1.72 -0.14 0.00 0.31 0.00 0.00 61.69 63.59 1yud s THR 30 Cb 0.09 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 1yud s THR 30 CO 0.76 0.49 0.82 0.00 -0.69 0.00 0.00 174.62 176.00 1yud s ALA 31 N -0.94 3.25 -0.23 7.40 0.00 -1.26 -2.14 121.76 127.85 1yud s ALA 31 Ca 0.37 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 1yud s ALA 31 Cb -0.23 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1yud s ALA 31 CO 0.26 0.08 -0.31 0.34 0.00 0.00 0.00 175.76 176.13 1yud n PHE 32 N -0.95 0.11 -4.13 0.00 7.35 -1.20 -4.50 117.46 114.13 1yud n PHE 32 Ca 0.04 0.05 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 1yud n PHE 32 Cb 0.54 -0.78 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 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 -6.70 0.07 0.47 -2.13 1.01 -1.19 -4.98 116.67 103.23 1yud s ASP 33 Ca -0.33 -1.24 0.23 0.00 0.71 0.00 0.00 52.55 51.93 1yud s ASP 33 Cb 0.09 0.44 1.27 0.00 1.01 0.00 0.00 42.92 45.73 1yud s ASP 33 CO 0.46 -0.93 1.67 -0.65 0.21 0.00 0.00 175.17 175.93 1yud h PRO 34 N 2.51 0.00 0.00 8.23 0.11 -2.03 -3.37 132.00 137.45 1yud h PRO 34 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1yud h PRO 34 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1yud h PRO 34 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1yud n SER 35 N -2.46 0.00 -4.52 -2.05 3.41 -1.26 -5.01 113.62 101.72 1yud n SER 35 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 1yud n SER 35 Cb 0.26 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1yud n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yud n ARG 36 N 0.00 0.42 -2.26 4.33 3.00 -1.26 -4.88 116.66 116.01 1yud n ARG 36 Ca 0.00 0.19 -0.27 0.00 -0.01 0.00 0.00 57.85 57.76 1yud n ARG 36 Cb 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 32.46 30.54 1yud n ARG 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1yud s GLN 37 N -2.90 2.63 0.19 5.56 -1.52 -1.26 -3.14 119.66 119.22 1yud s GLN 37 Ca 0.69 -0.05 -0.18 0.00 -1.95 0.00 0.00 55.36 53.87 1yud s GLN 37 Cb -0.36 -2.20 0.16 0.00 -0.22 0.00 0.00 33.01 30.39 1yud s GLN 37 CO 0.54 -0.95 1.60 1.25 -0.25 0.00 0.00 175.29 177.49 1yud h LEU 38 N -0.40 -0.91 -8.18 2.90 5.85 -1.66 0.30 115.31 113.22 1yud h LEU 38 Ca -0.45 0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1yud h LEU 38 Cb 1.28 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 42.70 1yud h LEU 38 CO 0.61 -0.27 -0.17 -1.66 -0.34 0.00 0.00 178.44 176.61 1yud s TRP 39 N -6.10 0.37 -0.11 1.25 1.48 -1.26 -2.90 118.94 111.67 1yud s TRP 39 Ca -0.14 -0.72 -0.11 0.00 -1.06 0.00 0.00 56.10 54.06 1yud s TRP 39 Cb 0.17 0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.63 1yud s TRP 39 CO 0.71 -0.91 0.32 -1.54 -4.06 0.00 0.00 176.95 171.46 1yud s SER 40 N -3.00 -0.32 0.05 -2.66 1.04 -1.14 -1.98 113.70 105.70 1yud s SER 40 Ca 0.21 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.28 1yud s SER 40 Cb 0.00 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 1yud s SER 40 CO 0.06 -0.14 -0.13 -0.55 0.98 0.00 0.00 173.24 173.47 1yud s SER 41 N 0.04 1.50 0.04 7.02 0.15 -0.52 -1.08 113.70 120.85 1yud s SER 41 Ca -0.01 -0.54 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 1yud s SER 41 Cb -0.03 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1yud s SER 41 CO 0.01 -0.06 0.17 0.27 1.20 0.00 0.00 173.24 174.83 1yud s ILE 42 N -1.12 0.12 0.50 6.45 -4.36 -0.90 -1.08 121.20 120.81 1yud s ILE 42 Ca -0.02 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1yud s ILE 42 Cb -0.09 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 1yud s ILE 42 CO 0.02 -0.53 0.82 -0.31 0.24 0.00 0.00 174.94 175.17 1yud s TYR 43 N -2.68 3.57 -0.28 1.37 2.02 0.16 -2.08 117.35 119.43 1yud s TYR 43 Ca -0.04 0.87 -0.08 0.00 -0.37 0.00 0.00 57.07 57.45 1yud s TYR 43 Cb -0.01 -2.36 0.13 0.00 -0.40 0.00 0.00 41.96 39.32 1yud s TYR 43 CO -0.05 -0.34 0.60 0.12 -1.57 0.00 0.00 175.55 174.31 1yud s PHE 44 N -2.80 -1.27 0.34 2.71 2.19 -0.97 -2.89 117.98 115.28 1yud s PHE 44 Ca 0.48 2.10 0.09 0.00 0.33 0.00 0.00 56.93 59.93 1yud s PHE 44 Cb -0.10 0.68 -0.06 0.00 -1.31 0.00 0.00 43.02 42.23 1yud s PHE 44 CO 0.46 -0.66 0.00 -1.17 1.83 0.00 0.00 175.22 175.68 1yud s LEU 45 N 2.84 2.95 -0.12 6.12 0.20 0.52 -1.02 118.68 130.16 1yud s LEU 45 Ca -0.02 -1.02 -0.06 0.00 0.69 0.00 0.00 54.13 53.72 1yud s LEU 45 Cb -0.12 -1.30 0.05 0.00 -0.43 0.00 0.00 46.19 44.38 1yud s LEU 45 CO -0.18 -0.24 0.29 -0.22 -0.29 0.00 0.00 176.35 175.71 1yud s LEU 46 N -3.70 0.26 0.41 -0.68 2.96 -0.46 -1.85 118.68 115.60 1yud s LEU 46 Ca 0.35 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 54.94 1yud s LEU 46 Cb 0.00 0.91 0.00 0.00 0.50 0.00 0.00 46.19 47.61 1yud s LEU 46 CO 0.19 -0.17 0.57 -0.13 -1.32 0.00 0.00 176.35 175.48 1yud s ARG 47 N 1.32 2.94 0.00 1.98 0.52 -1.26 -0.62 118.95 123.83 1yud s ARG 47 Ca -0.09 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1yud s ARG 47 Cb -0.10 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1yud s ARG 47 CO -0.10 -0.19 0.21 2.41 0.02 0.00 0.00 175.30 177.65 1yud n THR 48 N -1.86 0.05 -1.16 0.02 -1.04 0.11 -0.77 114.28 109.65 1yud n THR 48 Ca 0.04 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1yud n THR 48 Cb 0.59 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1yud n THR 48 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yud n GLY 49 N -0.71 -2.42 3.82 3.41 0.00 -1.26 -4.64 105.19 103.40 1yud n GLY 49 Ca 0.00 0.00 -0.29 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 0.00 2.23 0.12 1.61 2.02 0.05 -5.14 118.70 119.60 1yud s GLU 50 Ca 0.00 -2.13 -0.16 0.00 0.02 0.00 0.00 54.97 52.69 1yud s GLU 50 Cb 0.00 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.40 1yud s GLU 50 CO 0.00 -0.44 0.40 0.14 0.02 0.00 0.00 175.26 175.39 1yud s VAL 51 N -2.78 0.07 -0.25 2.63 -7.23 -1.26 -4.79 120.40 106.79 1yud s VAL 51 Ca 0.25 -0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 1yud s VAL 51 Cb 0.00 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1yud s VAL 51 CO 0.15 -0.31 0.41 -0.55 -0.31 0.00 0.00 175.10 174.49 1yud s SER 52 N -2.77 6.34 0.26 4.85 0.15 0.17 -4.02 113.70 118.67 1yud s SER 52 Ca 0.03 0.40 -0.29 0.00 0.70 0.00 0.00 55.95 56.78 1yud s SER 52 Cb 0.02 -2.23 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 1yud s SER 52 CO -0.12 -0.18 0.95 -1.00 1.20 0.00 0.00 173.24 174.09 1yud s HIS 53 N 1.95 3.89 0.26 3.44 3.76 0.35 -1.32 115.29 127.62 1yud s HIS 53 Ca 0.17 1.87 -0.25 0.00 -0.15 0.00 0.00 55.06 56.70 1yud s HIS 53 Cb -0.15 -2.98 -0.16 0.00 1.11 0.00 0.00 32.58 30.39 1yud s HIS 53 CO 0.09 0.33 0.38 1.19 -0.85 0.00 0.00 174.74 175.88 1yud n PHE 54 N 1.23 -0.99 -3.58 1.40 3.01 -0.24 -4.60 117.46 113.69 1yud n PHE 54 Ca -0.01 0.85 -0.06 0.00 1.01 0.00 0.00 57.45 59.24 1yud n PHE 54 Cb 0.48 -1.87 -0.03 0.00 -0.01 0.00 0.00 39.48 38.04 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 -1.20 -0.21 0.30 1.38 -3.43 -0.54 -3.32 115.29 108.26 1yud s HIS 55 Ca 0.62 0.23 0.08 0.00 -0.80 0.00 0.00 55.06 55.18 1yud s HIS 55 Cb -0.82 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 30.79 1yud s HIS 55 CO 0.57 -0.26 0.17 0.50 -2.00 0.00 0.00 174.74 173.72 1yud s ARG 56 N -2.00 2.63 0.02 -0.38 3.52 -0.01 -1.38 118.95 121.34 1yud s ARG 56 Ca 0.06 -1.29 0.01 0.00 -0.13 0.00 0.00 55.73 54.38 1yud s ARG 56 Cb -0.01 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1yud s ARG 56 CO -0.04 0.25 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.15 1yud s LEU 57 N -3.85 2.15 -0.12 -0.88 1.02 -1.26 -2.83 118.68 112.91 1yud s LEU 57 Ca 0.36 -0.32 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1yud s LEU 57 Cb -0.06 -0.04 0.42 0.00 0.02 0.00 0.00 46.19 46.53 1yud s LEU 57 CO 0.24 -0.15 1.14 0.41 0.02 0.00 0.00 176.35 178.01 1yud n THR 58 N 2.15 1.41 -3.69 5.49 -1.04 -0.51 -2.23 114.28 115.86 1yud n THR 58 Ca -0.19 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.05 61.02 1yud n THR 58 Cb 0.57 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.67 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yud s ALA 59 N -1.90 -1.36 1.27 2.41 0.00 -1.26 -4.93 121.76 115.99 1yud s ALA 59 Ca 0.28 -0.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 1yud s ALA 59 Cb 0.21 0.87 0.32 0.00 0.00 0.00 0.00 23.12 24.51 1yud s ALA 59 CO 0.08 -0.93 1.10 -0.51 0.00 0.00 0.00 175.76 175.50 1yud s ASP 60 N -2.85 0.37 0.08 0.00 -0.00 -1.26 -3.98 116.67 109.03 1yud s ASP 60 Ca 0.07 0.50 -0.05 0.00 -0.00 0.00 0.00 52.55 53.08 1yud s ASP 60 Cb -0.04 -0.64 0.02 0.00 -0.00 0.00 0.00 42.92 42.26 1yud s ASP 60 CO -0.01 -4.45 0.24 1.21 -0.00 0.00 0.00 175.17 172.16 1yud n GLU 61 N -4.96 0.25 -3.57 8.23 2.13 -1.05 -2.59 120.64 119.07 1yud n GLU 61 Ca 0.15 -0.50 -0.02 0.00 0.66 0.00 0.00 57.16 57.45 1yud n GLU 61 Cb 0.60 0.65 -0.06 0.00 0.27 0.00 0.00 31.44 32.90 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 -6.27 -0.73 -0.10 4.31 0.52 0.12 -1.82 118.94 114.96 1yud s TRP 63 Ca 0.05 1.37 0.03 0.00 0.02 0.00 0.00 56.10 57.57 1yud s TRP 63 Cb -0.01 0.44 -0.01 0.00 -1.15 0.00 0.00 33.47 32.74 1yud s TRP 63 CO 0.02 -0.36 -0.19 0.71 0.02 0.00 0.00 176.95 177.15 1yud s TYR 64 N 1.85 2.65 -0.27 -1.98 2.02 0.82 -2.32 117.35 120.12 1yud s TYR 64 Ca -0.07 -0.80 -0.25 0.00 -0.37 0.00 0.00 57.07 55.59 1yud s TYR 64 Cb -0.05 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1yud s TYR 64 CO -0.17 -0.28 0.85 0.12 -1.57 0.00 0.00 175.55 174.51 1yud s PHE 65 N 0.21 3.26 -0.23 2.71 5.36 -0.71 0.23 117.98 128.80 1yud s PHE 65 Ca -0.12 1.05 -0.16 0.00 -0.96 0.00 0.00 56.93 56.73 1yud s PHE 65 Cb -0.16 -3.18 -0.12 0.00 -0.34 0.00 0.00 43.02 39.22 1yud s PHE 65 CO 0.07 -0.50 -0.16 0.72 -1.46 0.00 0.00 175.22 173.89 1yud n HIS 66 N 6.17 0.43 -3.61 10.12 8.25 -0.45 -4.93 115.22 131.20 1yud n HIS 66 Ca 0.06 0.19 -0.07 0.00 -0.26 0.00 0.00 57.72 57.64 1yud n HIS 66 Cb 0.48 -0.93 -0.02 0.00 1.12 0.00 0.00 29.99 30.64 1yud n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yud s ALA 67 N -2.55 -1.69 0.00 -1.41 0.00 -0.88 -5.02 121.76 110.22 1yud s ALA 67 Ca -0.31 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1yud s ALA 67 Cb 0.09 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1yud s ALA 67 CO 0.48 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1yud n GLY 68 N -0.36 0.45 3.51 0.00 0.00 -1.26 -0.71 105.19 106.80 1yud n GLY 68 Ca -0.08 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1yud n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yud s GLN 69 N 0.00 2.84 0.88 1.61 2.00 0.02 -4.97 119.66 122.04 1yud s GLN 69 Ca 0.00 -0.62 -0.11 0.00 -2.00 0.00 0.00 55.36 52.63 1yud s GLN 69 Cb 0.00 -2.55 0.13 0.00 0.80 0.00 0.00 33.01 31.39 1yud s GLN 69 CO 0.00 0.55 1.17 -1.13 -0.50 0.00 0.00 175.29 175.37 1yud n SER 70 N 2.56 0.59 -4.27 6.67 3.41 -1.26 -4.73 113.62 116.58 1yud n SER 70 Ca -0.18 0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 58.71 1yud n SER 70 Cb 0.53 -1.49 -0.10 0.00 -0.26 0.00 0.00 64.21 62.89 1yud n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1yud s LEU 71 N -6.27 1.90 -0.06 1.04 1.43 -0.46 -2.14 118.68 114.13 1yud s LEU 71 Ca 0.69 -1.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1yud s LEU 71 Cb -0.25 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 45.86 1yud s LEU 71 CO 0.55 -0.75 -0.13 -0.89 0.23 0.00 0.00 176.35 175.36 1yud s THR 72 N -3.46 1.16 -0.25 5.49 2.01 0.03 -1.80 115.64 118.83 1yud s THR 72 Ca 0.34 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1yud s THR 72 Cb 0.07 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1yud s THR 72 CO 0.15 0.36 0.10 -0.63 -0.69 0.00 0.00 174.62 173.91 1yud s ILE 73 N 0.52 4.67 0.38 1.82 1.01 0.07 -2.40 121.20 127.27 1yud s ILE 73 Ca -0.12 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.55 1yud s ILE 73 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 1yud s ILE 73 CO 0.03 0.34 0.44 -0.31 0.00 0.00 0.00 174.94 175.44 1yud s TYR 74 N 1.43 2.89 -0.30 3.97 1.51 -0.95 -1.40 117.35 124.50 1yud s TYR 74 Ca 0.06 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 1yud s TYR 74 Cb -0.15 -2.10 0.18 0.00 -0.11 0.00 0.00 41.96 39.78 1yud s TYR 74 CO 0.05 -0.11 1.17 0.42 -1.11 0.00 0.00 175.55 175.97 1yud s ILE 76 N -2.32 -0.19 0.86 2.71 1.01 -0.25 -2.45 121.20 120.57 1yud s ILE 76 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.02 1yud s ILE 76 Cb -0.07 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.51 1yud s ILE 76 CO 0.30 0.00 1.14 -0.94 0.00 0.00 0.00 174.94 175.44 1yud s SER 77 N 2.60 3.43 0.60 3.58 1.04 -0.51 -2.15 113.70 122.29 1yud s SER 77 Ca -0.03 2.12 0.32 0.00 0.48 0.00 0.00 55.95 58.84 1yud s SER 77 Cb -0.06 -2.56 1.90 0.00 0.10 0.00 0.00 66.02 65.40 1yud s SER 77 CO -0.12 -2.76 2.27 1.55 0.98 0.00 0.00 173.24 175.15 1yud h PRO 78 N -1.52 0.00 -0.04 4.02 0.13 -1.92 0.61 132.00 133.28 1yud h PRO 78 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1yud h PRO 78 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1yud h PRO 78 CO 0.45 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 1yud n GLU 79 N -3.73 1.10 -1.12 0.86 1.02 -1.26 -4.89 120.64 112.62 1yud n GLU 79 Ca -0.03 -0.15 -0.04 0.00 -0.02 0.00 0.00 57.16 56.92 1yud n GLU 79 Cb 0.09 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1yud n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yud n GLY 80 N 0.60 0.67 3.75 0.62 0.00 0.21 -5.03 105.19 106.01 1yud n GLY 80 Ca 0.03 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.76 4.32 -0.18 1.61 2.12 -1.25 -4.77 118.70 118.80 1yud s GLU 81 Ca 0.00 0.65 -0.14 0.00 0.36 0.00 0.00 54.97 55.84 1yud s GLU 81 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1yud s GLU 81 CO 0.00 0.26 0.30 -1.17 -0.54 0.00 0.00 175.26 174.12 1yud s LEU 82 N 0.20 4.21 0.15 2.70 2.96 -1.26 -1.43 118.68 126.21 1yud s LEU 82 Ca 0.30 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 1yud s LEU 82 Cb -0.17 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1yud s LEU 82 CO 0.15 0.05 -0.11 0.42 -1.32 0.00 0.00 176.35 175.54 1yud s THR 83 N 0.74 1.26 -0.14 3.68 -4.23 -1.26 -5.03 115.64 110.66 1yud s THR 83 Ca 0.16 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 1yud s THR 83 Cb -0.13 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 71.91 1yud s THR 83 CO 0.05 -0.70 0.33 0.42 -0.54 0.00 0.00 174.62 174.18 1yud s THR 84 N -3.19 -0.03 0.23 3.99 -4.23 -1.26 -4.47 115.64 106.69 1yud s THR 84 Ca 0.17 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 1yud s THR 84 Cb 0.02 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1yud s THR 84 CO 0.02 0.04 -0.07 0.00 -0.54 0.00 0.00 174.62 174.07 1yud s ALA 85 N 1.21 3.02 -0.23 3.99 0.00 -0.49 -4.90 121.76 124.36 1yud s ALA 85 Ca -0.08 -1.60 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 1yud s ALA 85 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1yud s ALA 85 CO -0.10 0.36 0.12 -0.65 0.00 0.00 0.00 175.76 175.49 1yud s GLN 86 N -3.27 3.96 -0.19 0.00 -1.52 -1.26 -0.75 119.66 116.62 1yud s GLN 86 Ca 0.28 -0.33 -0.01 0.00 -1.95 0.00 0.00 55.36 53.35 1yud s GLN 86 Cb -0.07 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1yud s GLN 86 CO 0.17 0.06 -0.12 -1.17 -0.25 0.00 0.00 175.29 173.99 1yud s LEU 87 N 1.00 2.56 0.00 2.90 0.20 -0.75 -2.80 118.68 121.79 1yud s LEU 87 Ca 0.06 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1yud s LEU 87 Cb -0.14 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1yud s LEU 87 CO 0.04 0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.71 1yud n GLY 88 N 4.59 -0.53 0.00 7.98 0.00 -1.13 -1.35 105.19 114.75 1yud n GLY 88 Ca -0.19 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 0.37 -4.56 0.99 4.77 -1.26 -1.34 117.00 115.97 1yud n LEU 89 Ca 0.00 -0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 55.26 1yud n LEU 89 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1yud n LEU 89 CO 0.00 0.09 1.42 -0.62 -1.33 0.00 0.00 177.39 176.95 1yud s ASP 90 N -2.33 5.61 0.16 -1.43 3.68 -1.26 -4.79 116.67 116.31 1yud s ASP 90 Ca 0.02 -0.56 -0.10 0.00 2.13 0.00 0.00 52.55 54.04 1yud s ASP 90 Cb 0.08 -2.55 -0.00 0.00 -1.45 0.00 0.00 42.92 38.99 1yud s ASP 90 CO 0.44 -2.26 1.53 -0.07 0.13 0.00 0.00 175.17 174.94 1yud h LEU 91 N 15.74 1.01 -2.03 -1.34 3.38 -1.90 -2.73 115.31 127.43 1yud h LEU 91 Ca -0.02 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1yud h LEU 91 Cb 1.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1yud h LEU 91 CO 1.27 1.21 0.15 0.00 0.09 0.00 0.00 178.44 181.17 1yud h ALA 92 N 0.85 2.15 -3.00 1.53 0.00 -1.87 -3.40 119.26 115.52 1yud h ALA 92 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yud h ALA 92 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yud h ALA 92 CO 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1yud n ALA 93 N -2.55 0.00 -0.08 0.00 0.00 -1.13 -4.95 120.51 111.80 1yud n ALA 93 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1yud n ALA 93 Cb 0.30 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.04 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 5.00 2.06 3.69 0.00 0.00 -1.26 -4.95 105.19 109.74 1yud n GLY 94 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.13 4.26 -0.06 1.61 2.02 -1.04 -4.47 118.70 119.88 1yud s GLU 95 Ca 0.44 2.07 0.02 0.00 0.02 0.00 0.00 54.97 57.52 1yud s GLU 95 Cb 0.23 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.91 1yud s GLU 95 CO 0.30 -0.61 -0.09 0.50 0.02 0.00 0.00 175.26 175.38 1yud s ARG 96 N 2.40 1.35 0.62 1.61 6.06 -1.12 -3.86 118.95 126.01 1yud s ARG 96 Ca 0.67 -0.29 0.30 0.00 -2.50 0.00 0.00 55.73 53.91 1yud s ARG 96 Cb -0.34 -1.19 1.65 0.00 0.06 0.00 0.00 34.95 35.13 1yud s ARG 96 CO 0.28 -0.03 1.99 -1.35 -2.50 0.00 0.00 175.30 173.70 1yud h PRO 97 N 7.10 0.00 -5.50 5.12 0.11 -1.53 -3.00 132.00 134.30 1yud h PRO 97 Ca -0.33 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.29 1yud h PRO 97 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1yud h PRO 97 CO 0.47 0.00 -0.68 -0.65 -0.21 0.00 0.00 178.00 176.93 1yud s GLN 98 N -4.40 1.50 -0.06 1.05 -0.21 -1.26 -1.74 119.66 114.54 1yud s GLN 98 Ca -0.04 -1.75 -0.29 0.00 0.02 0.00 0.00 55.36 53.30 1yud s GLN 98 Cb 0.13 -1.13 0.10 0.00 1.00 0.00 0.00 33.01 33.12 1yud s GLN 98 CO 0.44 0.06 0.88 0.12 -2.12 0.00 0.00 175.29 174.66 1yud s PHE 99 N -3.02 -0.42 -0.16 0.91 5.36 -0.98 -4.97 117.98 114.70 1yud s PHE 99 Ca 0.28 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1yud s PHE 99 Cb 0.03 0.49 0.03 0.00 -0.34 0.00 0.00 43.02 43.23 1yud s PHE 99 CO 0.11 -0.50 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.11 1yud s LEU 100 N -1.78 1.72 -0.41 6.12 1.98 -1.26 -0.71 118.68 124.34 1yud s LEU 100 Ca -0.00 -0.62 -0.19 0.00 -2.89 0.00 0.00 54.13 50.43 1yud s LEU 100 Cb -0.01 -1.04 0.02 0.00 0.66 0.00 0.00 46.19 45.82 1yud s LEU 100 CO -0.02 -0.14 0.54 0.68 -1.89 0.00 0.00 176.35 175.53 1yud s VAL 101 N 1.56 4.96 0.41 1.68 -7.23 -0.76 -4.97 120.40 116.05 1yud s VAL 101 Ca 0.02 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 59.95 1yud s VAL 101 Cb -0.14 -4.09 -0.09 0.00 0.56 0.00 0.00 36.38 32.61 1yud s VAL 101 CO -0.09 -0.45 1.44 -2.16 -0.31 0.00 0.00 175.10 173.54 1yud s PRO 102 N 2.49 3.90 0.28 4.82 0.04 -1.26 -2.53 135.00 142.74 1yud s PRO 102 Ca 0.18 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 1yud s PRO 102 Cb -0.15 -2.80 -0.12 0.00 0.04 0.00 0.00 34.50 31.46 1yud s PRO 102 CO 0.16 -0.67 1.61 0.36 0.04 0.00 0.00 177.00 178.51 1yud n LYS 103 N 0.12 2.70 0.00 4.56 2.85 -1.26 -3.22 118.16 123.91 1yud n LYS 103 Ca 0.03 0.96 0.00 0.00 -1.05 0.00 0.00 58.31 58.25 1yud n LYS 103 Cb 0.41 -2.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.03 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 2.47 1.82 0.00 2.58 0.00 -0.95 -4.93 105.19 106.18 1yud n GLY 104 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.10 0.73 0.04 0.00 1.01 -0.91 -4.25 121.20 117.71 1yud s ILE 106 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1yud s ILE 106 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1yud s ILE 106 CO 0.00 0.24 -0.02 0.72 0.00 0.00 0.00 174.94 175.88 1yud s PHE 107 N 1.82 0.44 0.11 3.97 -0.71 -0.48 -1.09 117.98 122.04 1yud s PHE 107 Ca 0.04 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.04 1yud s PHE 107 Cb -0.13 -0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.34 1yud s PHE 107 CO -0.07 -0.34 0.11 0.41 -1.34 0.00 0.00 175.22 173.99 1yud n GLY 108 N 0.47 3.53 3.53 1.99 0.00 -1.03 -1.47 105.19 112.21 1yud n GLY 108 Ca -0.16 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.78 -0.67 0.00 1.61 0.15 -0.43 -2.24 113.70 110.34 1yud s SER 109 Ca 0.13 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1yud s SER 109 Cb 0.01 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1yud s SER 109 CO 0.09 -0.57 0.00 0.00 1.20 0.00 0.00 173.24 173.97 1yud n ALA 110 N 1.12 0.00 0.00 5.45 0.00 -1.01 0.42 120.51 126.49 1yud n ALA 110 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yud n ALA 110 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 2.34 -4.48 0.00 5.03 -0.91 -0.79 115.26 116.45 1yud n ASN 112 Ca 0.00 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.22 1yud n ASN 112 Cb 0.00 0.12 -0.11 0.00 -1.02 0.00 0.00 39.78 38.77 1yud n ASN 112 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1yud s GLN 113 N -1.52 1.68 0.20 3.52 1.11 -1.26 -5.11 119.66 118.28 1yud s GLN 113 Ca 0.00 -1.90 -0.30 0.00 0.01 0.00 0.00 55.36 53.17 1yud s GLN 113 Cb 0.00 -1.18 -0.08 0.00 -1.01 0.00 0.00 33.01 30.74 1yud s GLN 113 CO 0.00 -0.05 1.04 -0.51 0.01 0.00 0.00 175.29 175.78 1yud s ASP 114 N -3.52 7.39 0.00 5.90 1.01 -1.26 -4.88 116.67 121.31 1yud s ASP 114 Ca 0.33 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.64 1yud s ASP 114 Cb 0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1yud s ASP 114 CO 0.15 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1yud n GLY 115 N 1.76 -0.40 3.42 0.21 0.00 -1.26 -5.01 105.19 103.91 1yud n GLY 115 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.96 2.05 -0.09 1.61 -0.71 -1.26 0.08 117.98 115.70 1yud s PHE 116 Ca 0.00 -0.44 -0.04 0.00 -1.04 0.00 0.00 56.93 55.41 1yud s PHE 116 Cb 0.00 -0.92 0.05 0.00 -1.21 0.00 0.00 43.02 40.94 1yud s PHE 116 CO 0.00 0.56 0.19 -1.12 -1.34 0.00 0.00 175.22 173.51 1yud s SER 117 N -3.43 0.44 -0.20 1.98 0.01 0.21 -0.80 113.70 111.91 1yud s SER 117 Ca 0.27 0.41 -0.04 0.00 1.31 0.00 0.00 55.95 57.90 1yud s SER 117 Cb -0.03 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 1yud s SER 117 CO 0.12 -0.22 -0.04 -0.22 0.41 0.00 0.00 173.24 173.28 1yud s LEU 118 N 2.07 3.01 0.36 2.44 2.96 0.11 -1.36 118.68 128.27 1yud s LEU 118 Ca -0.00 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1yud s LEU 118 Cb -0.12 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1yud s LEU 118 CO -0.07 0.05 0.07 0.54 -1.32 0.00 0.00 176.35 175.62 1yud s VAL 119 N 1.07 1.07 0.05 1.68 0.11 -0.19 -1.34 120.40 122.86 1yud s VAL 119 Ca 0.01 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.14 1yud s VAL 119 Cb -0.15 -2.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 1yud s VAL 119 CO 0.00 0.00 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.72 1yud s GLY 120 N -3.55 1.23 0.28 6.54 0.00 0.61 -2.29 107.32 110.15 1yud s GLY 120 Ca 0.31 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1yud s GLY 120 CO 0.15 -1.08 0.33 0.00 0.00 0.00 0.00 173.10 172.49 1yud s VAL 123 N -3.62 0.00 0.85 0.00 1.01 -0.25 -2.13 120.40 116.27 1yud s VAL 123 Ca 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1yud s VAL 123 Cb 0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1yud s VAL 123 CO 0.18 0.00 -0.57 -0.24 0.00 0.00 0.00 175.10 174.47 1yud n SER 124 N 2.15 -2.60 -0.22 3.32 2.88 -1.07 -2.86 113.62 115.21 1yud n SER 124 Ca -0.12 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1yud n SER 124 Cb 0.56 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.14 0.00 0.00 -1.46 -0.02 -1.14 -3.69 135.00 129.82 1yud n PRO 125 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1yud n PRO 125 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 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 -0.01 0.00 3.69 -1.23 0.00 0.11 -4.58 105.19 103.15 1yud n GLY 126 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1yud n GLY 126 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yud n PHE 127 N 1.32 2.45 -4.20 1.61 7.35 -1.24 -4.54 117.46 120.22 1yud n PHE 127 Ca 0.00 0.11 -0.12 0.00 -0.76 0.00 0.00 57.45 56.68 1yud n PHE 127 Cb 0.00 -2.62 -0.10 0.00 0.35 0.00 0.00 39.48 37.11 1yud n PHE 127 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yud s THR 128 N 1.68 0.55 -0.10 -2.13 -4.23 -1.26 -5.04 115.64 105.11 1yud s THR 128 Ca 0.80 -1.95 0.30 0.00 -1.18 0.00 0.00 61.69 59.67 1yud s THR 128 Cb -0.60 -1.97 0.34 0.00 1.34 0.00 0.00 72.50 71.61 1yud s THR 128 CO 0.38 -0.60 1.89 -0.26 -0.54 0.00 0.00 174.62 175.50 1yud h PHE 129 N 2.81 0.00 0.00 3.99 0.04 -1.94 -2.29 116.94 119.56 1yud h PHE 129 Ca -0.36 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.39 1yud h PHE 129 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 1yud h PHE 129 CO 0.53 0.00 -0.10 -0.44 -0.60 0.00 0.00 178.31 177.70 1yud h ASP 130 N 0.00 0.00 -0.59 2.17 5.19 -1.98 0.10 116.42 121.31 1yud h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1yud h ASP 130 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1yud h ASP 130 CO 0.00 0.10 0.00 0.47 -3.12 0.00 0.00 179.24 176.69 1yud n ASP 131 N -3.50 5.02 -4.52 6.45 8.00 -0.86 -4.93 116.55 122.19 1yud n ASP 131 Ca -0.02 -2.65 -0.24 0.00 0.71 0.00 0.00 54.79 52.59 1yud n ASP 131 Cb 0.24 -0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.23 2.41 -0.30 1.24 5.36 0.35 -1.42 117.98 123.39 1yud s PHE 132 Ca 0.51 -0.32 -0.08 0.00 -0.96 0.00 0.00 56.93 56.08 1yud s PHE 132 Cb 0.36 -1.08 0.18 0.00 -0.34 0.00 0.00 43.02 42.14 1yud s PHE 132 CO 0.20 0.68 0.92 -2.00 -1.46 0.00 0.00 175.22 173.57 1yud s GLU 133 N -3.56 0.27 0.15 10.12 2.12 -1.13 -4.98 118.70 121.69 1yud s GLU 133 Ca 0.31 0.38 -0.16 0.00 0.36 0.00 0.00 54.97 55.86 1yud s GLU 133 Cb -0.05 0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.47 1yud s GLU 133 CO 0.16 -0.40 0.59 -1.17 -0.54 0.00 0.00 175.26 173.90 1yud s LEU 134 N 2.93 4.38 -0.09 2.70 2.96 -1.26 -0.83 118.68 129.46 1yud s LEU 134 Ca 0.13 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 1yud s LEU 134 Cb -0.08 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1yud s LEU 134 CO -0.18 0.13 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.60 1yud s PHE 135 N -1.40 3.11 -0.13 5.38 0.40 -1.21 -4.98 117.98 119.15 1yud s PHE 135 Ca 0.37 0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 56.54 1yud s PHE 135 Cb -0.16 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1yud s PHE 135 CO 0.19 0.41 1.53 0.45 0.70 0.00 0.00 175.22 178.50 1yud s SER 136 N -0.77 6.67 0.50 1.36 0.15 -1.26 -4.87 113.70 115.49 1yud s SER 136 Ca 0.12 1.92 0.37 0.00 0.70 0.00 0.00 55.95 59.05 1yud s SER 136 Cb -0.11 -2.53 1.52 0.00 -1.71 0.00 0.00 66.02 63.18 1yud s SER 136 CO 0.02 -0.96 1.70 -0.61 1.20 0.00 0.00 173.24 174.58 1yud h GLN 137 N 9.46 0.07 -0.05 5.44 4.15 -1.93 0.35 115.11 132.59 1yud h GLN 137 Ca -0.34 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.11 1yud h GLN 137 Cb 1.15 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1yud h GLN 137 CO 0.97 0.05 -0.17 0.93 -1.93 0.00 0.00 178.83 178.68 1yud h GLU 138 N 0.07 -0.24 0.00 1.69 3.07 -1.89 -1.19 114.58 116.08 1yud h GLU 138 Ca 0.73 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.55 1yud h GLU 138 Cb 2.65 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 30.61 1yud h GLU 138 CO -0.14 -0.16 -0.27 0.00 -1.40 0.00 0.00 179.01 177.04 1yud h ALA 139 N 0.72 1.54 0.00 3.43 0.00 -0.72 -2.26 119.26 121.98 1yud h ALA 139 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yud h ALA 139 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yud h ALA 139 CO -0.20 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1yud n LEU 140 N -4.21 0.00 0.00 0.00 4.77 -0.49 -2.60 117.00 114.48 1yud n LEU 140 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1yud n LEU 140 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1yud n LEU 140 CO 0.38 0.00 -0.40 0.18 -1.33 0.00 0.00 177.39 176.21 1yud n LEU 141 N -0.64 0.00 0.00 2.23 4.32 -0.87 -4.63 117.00 117.41 1yud n LEU 141 Ca 0.06 -0.05 0.05 0.00 -0.02 0.00 0.00 56.01 56.06 1yud n LEU 141 Cb 0.03 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.13 1yud n LEU 141 CO 0.04 0.00 0.52 0.00 -1.22 0.00 0.00 177.39 176.73 1yud n ALA 142 N -1.29 1.98 -2.58 -1.18 0.00 -1.07 -3.66 120.51 112.71 1yud n ALA 142 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yud n ALA 142 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.88 0.00 0.21 0.00 4.01 -1.26 -5.00 117.16 114.24 1yud n TYR 144 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 1yud n TYR 144 Cb 0.04 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.70 0.00 0.69 -0.72 0.11 -1.83 -3.31 132.00 128.63 1yud h PRO 145 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1yud h PRO 145 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1yud h PRO 145 CO 0.00 0.25 -0.33 -0.56 -0.21 0.00 0.00 178.00 177.15 1yud h GLN 146 N 0.00 -0.89 0.00 1.05 -0.00 -1.94 -2.99 115.11 110.34 1yud h GLN 146 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1yud h GLN 146 Cb 0.91 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1yud h GLN 146 CO 0.03 -0.57 0.00 0.72 -0.00 0.00 0.00 178.83 179.02 1yud n HIS 147 N -5.45 0.00 -0.02 0.06 8.25 -1.25 -4.40 115.22 112.41 1yud n HIS 147 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1yud n HIS 147 Cb 0.38 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.50 1yud n HIS 147 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yud n LYS 148 N -0.74 -0.01 0.00 -0.41 4.81 -1.13 -1.51 118.16 119.17 1yud n LYS 148 Ca 0.02 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1yud n LYS 148 Cb 0.01 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 34.94 1yud n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yud n ALA 149 N -3.98 -0.17 -0.00 3.14 0.00 -1.26 -2.30 120.51 115.94 1yud n ALA 149 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1yud n ALA 149 Cb 0.03 0.21 0.45 0.00 0.00 0.00 0.00 19.45 20.13 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 1.07 0.00 0.00 3.04 -1.66 -0.87 116.25 117.83 1yud h VAL 150 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1yud h VAL 150 Cb 0.00 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1yud h VAL 150 CO 0.00 0.09 0.00 0.52 -1.01 0.00 0.00 177.57 177.17 1yud n VAL 151 N -4.48 0.98 -0.03 1.51 0.31 -0.86 -1.39 118.33 114.36 1yud n VAL 151 Ca 0.04 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 65.08 1yud n VAL 151 Cb 0.11 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.23 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 -2.29 0.74 0.19 5.55 6.02 -0.35 -3.86 117.38 123.38 1yud n GLN 152 Ca -0.01 -0.12 0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1yud n GLN 152 Cb 0.06 -1.46 0.34 0.00 1.02 0.00 0.00 30.24 30.21 1yud n GLN 152 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1yud h LYS 153 N 0.00 0.00 -0.64 -1.09 6.56 -1.02 -3.27 116.57 117.11 1yud h LYS 153 Ca -0.15 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.98 1yud h LYS 153 Cb 1.24 0.00 -0.39 0.00 -0.57 0.00 0.00 32.23 32.51 1yud h LYS 153 CO 0.01 0.35 -0.83 1.28 -2.06 0.00 0.00 179.45 178.20 1yud n LEU 154 N -3.49 4.29 -3.88 2.94 4.77 -1.01 -4.97 117.00 115.64 1yud n LEU 154 Ca -0.00 -4.43 -0.10 0.00 -0.03 0.00 0.00 56.01 51.45 1yud n LEU 154 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1yud n LEU 154 CO 0.36 1.90 0.43 -0.44 -1.33 0.00 0.00 177.39 178.31 1yud s SER 155 N -3.58 0.17 -0.01 -1.43 0.01 -1.23 -1.07 113.70 106.55 1yud s SER 155 Ca 0.47 -1.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.44 1yud s SER 155 Cb 0.40 0.79 0.02 0.00 0.21 0.00 0.00 66.02 67.43 1yud s SER 155 CO 0.02 -1.55 0.29 -0.13 0.41 0.00 0.00 173.24 172.28 1yud s ARG 156 N -2.71 0.64 0.51 12.44 0.52 -1.26 -4.89 118.95 124.20 1yud s ARG 156 Ca 0.18 -0.20 -0.21 0.00 -0.52 0.00 0.00 55.73 54.98 1yud s ARG 156 Cb -0.04 0.28 -0.06 0.00 0.52 0.00 0.00 34.95 35.65 1yud s ARG 156 CO 0.13 -0.17 1.17 -1.25 0.02 0.00 0.00 175.30 175.19 1yud s PRO 157 N -1.30 3.48 0.00 3.54 0.04 -1.26 -3.62 135.00 135.88 1yud s PRO 157 Ca -0.13 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1yud s PRO 157 Cb -0.05 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1yud s PRO 157 CO 0.04 -0.77 0.00 0.39 0.04 0.00 0.00 177.00 176.69