#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 1.25 0.57 1.08 2.47 -1.26 -5.03 114.94 114.02 1yud s ASN 3 Ca 0.00 -1.37 0.34 0.00 0.42 0.00 0.00 52.86 52.25 1yud s ASN 3 Cb 0.00 0.15 1.45 0.00 -1.45 0.00 0.00 41.25 41.40 1yud s ASN 3 CO 0.00 -0.71 1.74 0.00 -3.72 0.00 0.00 177.10 174.41 1yud h ALA 4 N 2.40 2.89 -0.26 1.71 0.00 -1.96 0.97 119.26 125.00 1yud h ALA 4 Ca -0.38 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1yud h ALA 4 Cb 1.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1yud h ALA 4 CO 0.61 -1.37 -0.37 -0.44 0.00 0.00 0.00 179.25 177.69 1yud h ASP 5 N 0.00 0.61 -0.27 0.00 3.32 -1.99 -1.59 116.42 116.50 1yud h ASP 5 Ca 0.48 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1yud h ASP 5 Cb 2.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 1yud h ASP 5 CO -0.01 0.92 -0.06 0.44 -1.72 0.00 0.00 179.24 178.82 1yud h ASP 6 N 0.49 0.53 0.23 6.45 5.19 -1.21 -2.56 116.42 125.54 1yud h ASP 6 Ca 0.05 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1yud h ASP 6 Cb 0.86 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1yud h ASP 6 CO 0.07 0.76 -0.11 -0.26 -3.12 0.00 0.00 179.24 176.58 1yud h PHE 7 N 0.28 -0.29 -0.63 4.55 -1.00 -1.46 0.12 116.94 118.51 1yud h PHE 7 Ca 0.07 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.94 1yud h PHE 7 Cb 0.53 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.14 1yud h PHE 7 CO 0.05 -0.02 0.42 -0.84 -1.61 0.00 0.00 178.31 176.31 1yud h ILE 8 N -0.53 0.91 0.18 -0.55 -0.00 -1.35 0.45 117.51 116.61 1yud h ILE 8 Ca -0.03 -0.16 -0.01 0.00 -0.00 0.00 0.00 64.86 64.66 1yud h ILE 8 Cb 0.39 0.40 0.00 0.00 -0.00 0.00 0.00 36.82 37.61 1yud h ILE 8 CO 0.05 0.09 -0.09 0.50 -0.00 0.00 0.00 178.15 178.70 1yud h LYS 9 N 0.47 -0.23 -0.88 0.16 3.64 -1.21 0.55 116.57 119.07 1yud h LYS 9 Ca 0.29 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1yud h LYS 9 Cb 0.52 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 1yud h LYS 9 CO -0.09 -0.16 0.57 0.74 -2.27 0.00 0.00 179.45 178.25 1yud h PHE 10 N -0.67 1.03 -0.03 1.91 0.04 -0.72 -1.37 116.94 117.13 1yud h PHE 10 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1yud h PHE 10 Cb 0.19 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1yud h PHE 10 CO 0.03 0.57 0.00 1.28 -0.60 0.00 0.00 178.31 179.58 1yud n LEU 11 N -4.47 1.71 -3.60 1.54 4.77 0.14 -4.97 117.00 112.13 1yud n LEU 11 Ca 0.12 -0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 55.30 1yud n LEU 11 Cb 0.16 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1yud n LEU 11 CO 0.34 0.29 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.02 1yud n GLU 12 N 0.34 -3.40 -2.85 3.23 1.02 -0.28 -4.83 120.64 113.87 1yud n GLU 12 Ca 0.18 0.63 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 1yud n GLU 12 Cb 0.39 -5.04 -0.04 0.00 -0.02 0.00 0.00 31.44 26.73 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 -6.35 4.12 -0.00 -4.62 1.43 0.18 -4.73 118.68 108.70 1yud s LEU 13 Ca 0.22 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1yud s LEU 13 Cb -0.06 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1yud s LEU 13 CO 0.81 -0.50 -0.01 -1.61 0.23 0.00 0.00 176.35 175.27 1yud s GLU 14 N 2.65 2.76 0.37 1.70 0.41 0.00 -4.69 118.70 121.90 1yud s GLU 14 Ca 0.38 -0.62 -0.24 0.00 -0.41 0.00 0.00 54.97 54.08 1yud s GLU 14 Cb -0.16 -2.65 -0.14 0.00 -1.78 0.00 0.00 34.13 29.40 1yud s GLU 14 CO 0.09 0.62 0.52 1.04 -0.49 0.00 0.00 175.26 177.04 1yud n GLN 15 N 1.42 0.47 -4.26 1.61 6.02 -1.26 -1.76 117.38 119.61 1yud n GLN 15 Ca -0.15 0.17 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1yud n GLN 15 Cb 0.53 -1.38 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.39 3.18 0.57 1.08 2.46 -0.76 -4.77 115.29 115.67 1yud s HIS 16 Ca 0.62 0.18 0.28 0.00 0.47 0.00 0.00 55.06 56.61 1yud s HIS 16 Cb -0.67 -1.75 1.49 0.00 -0.13 0.00 0.00 32.58 31.52 1yud s HIS 16 CO 0.59 0.50 1.97 -0.24 -2.47 0.00 0.00 174.74 175.09 1yud h VAL 17 N 3.75 0.52 -0.01 0.89 3.04 -1.93 0.45 116.25 122.96 1yud h VAL 17 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1yud h VAL 17 Cb 1.19 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1yud h VAL 17 CO 0.57 0.00 -0.11 -1.84 -1.01 0.00 0.00 177.57 175.18 1yud n GLU 18 N -3.99 1.20 0.00 4.17 0.28 -1.26 -5.04 120.64 116.00 1yud n GLU 18 Ca 0.08 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.42 1yud n GLU 18 Cb 0.59 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 1.24 1.29 7.00 -1.84 0.00 0.16 -2.19 105.19 110.85 1yud n GLY 19 Ca 0.16 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.66 -0.40 3.29 -0.02 0.00 -1.26 -3.62 105.19 102.52 1yud n GLY 20 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 1.85 0.29 1.61 0.08 -0.79 -1.82 117.98 119.20 1yud s PHE 21 Ca 0.00 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.50 1yud s PHE 21 Cb 0.00 -1.03 0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1yud s PHE 21 CO 0.00 0.20 0.61 1.52 -0.10 0.00 0.00 175.22 177.45 1yud s TYR 22 N -1.08 0.23 -0.30 0.36 -0.85 -0.72 -0.28 117.35 114.71 1yud s TYR 22 Ca 0.07 -0.66 -0.16 0.00 -0.52 0.00 0.00 57.07 55.80 1yud s TYR 22 Cb -0.10 0.43 0.17 0.00 0.38 0.00 0.00 41.96 42.84 1yud s TYR 22 CO 0.04 -1.19 1.05 0.50 -1.52 0.00 0.00 175.55 174.43 1yud s ARG 23 N -3.58 0.27 0.37 -3.49 3.00 -1.23 -0.82 118.95 113.48 1yud s ARG 23 Ca 0.19 0.55 -0.28 0.00 -1.00 0.00 0.00 55.73 55.20 1yud s ARG 23 Cb -0.03 0.20 -0.10 0.00 0.00 0.00 0.00 34.95 35.02 1yud s ARG 23 CO 0.10 -0.07 1.34 -1.12 0.00 0.00 0.00 175.30 175.55 1yud s SER 24 N 1.78 6.51 -0.12 -2.12 0.01 -1.26 -0.15 113.70 118.35 1yud s SER 24 Ca -0.06 2.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.84 1yud s SER 24 Cb -0.04 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1yud s SER 24 CO -0.15 -0.72 -0.21 -1.20 0.41 0.00 0.00 173.24 171.37 1yud n SER 25 N 0.47 1.35 -3.89 2.44 7.64 0.88 -4.83 113.62 117.68 1yud n SER 25 Ca 0.02 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.13 1yud n SER 25 Cb 0.42 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 1yud n SER 25 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yud s TYR 26 N -2.21 0.14 0.33 1.43 1.51 -1.17 -5.01 117.35 112.36 1yud s TYR 26 Ca -0.17 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1yud s TYR 26 Cb 0.02 -0.09 -0.06 0.00 -0.11 0.00 0.00 41.96 41.72 1yud s TYR 26 CO 0.26 -0.39 -0.08 1.03 -1.11 0.00 0.00 175.55 175.26 1yud s ARG 27 N -2.53 1.74 -0.16 -0.62 1.81 -1.26 -0.78 118.95 117.14 1yud s ARG 27 Ca -0.05 -1.90 -0.18 0.00 -1.72 0.00 0.00 55.73 51.88 1yud s ARG 27 Cb -0.01 -1.53 -0.04 0.00 -0.45 0.00 0.00 34.95 32.92 1yud s ARG 27 CO -0.04 0.10 0.46 0.45 -0.68 0.00 0.00 175.30 175.59 1yud s SER 28 N -3.56 6.59 0.00 0.23 0.15 -0.36 -4.93 113.70 111.82 1yud s SER 28 Ca 0.32 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.84 1yud s SER 28 Cb 0.03 -2.27 0.90 0.00 -1.71 0.00 0.00 66.02 62.97 1yud s SER 28 CO 0.15 -0.06 1.49 -0.62 1.20 0.00 0.00 173.24 175.40 1yud n GLU 29 N 4.14 0.31 -3.75 5.44 1.02 -1.26 -4.52 120.64 122.02 1yud n GLU 29 Ca -0.07 0.10 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1yud n GLU 29 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.45 5.33 0.16 2.62 2.01 -1.26 -5.05 115.64 117.00 1yud s THR 30 Ca 0.18 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.47 1yud s THR 30 Cb 0.12 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 1yud s THR 30 CO 0.25 0.54 0.46 0.00 -0.69 0.00 0.00 174.62 175.18 1yud s ALA 31 N -1.11 3.67 -0.04 7.40 0.00 -1.26 -1.36 121.76 129.06 1yud s ALA 31 Ca 0.21 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1yud s ALA 31 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1yud s ALA 31 CO 0.10 0.57 -0.07 0.34 0.00 0.00 0.00 175.76 176.70 1yud n PHE 32 N 0.22 0.02 -4.23 0.00 7.35 -1.22 -4.59 117.46 115.00 1yud n PHE 32 Ca -0.03 0.01 -0.24 0.00 -0.76 0.00 0.00 57.45 56.43 1yud n PHE 32 Cb 0.52 -0.14 -0.08 0.00 0.35 0.00 0.00 39.48 40.14 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 -4.36 4.35 0.43 -2.13 1.01 -1.24 -4.99 116.67 109.75 1yud s ASP 33 Ca -0.06 -0.98 0.29 0.00 0.71 0.00 0.00 52.55 52.51 1yud s ASP 33 Cb 0.01 -0.56 1.51 0.00 1.01 0.00 0.00 42.92 44.89 1yud s ASP 33 CO 0.09 -0.35 1.90 -0.65 0.21 0.00 0.00 175.17 176.36 1yud h PRO 34 N 1.64 0.00 0.00 8.23 0.11 -2.03 -3.26 132.00 136.69 1yud h PRO 34 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1yud n SER 35 N -2.56 0.00 -3.23 -2.05 3.41 -1.26 -5.02 113.62 102.91 1yud n SER 35 Ca -0.01 0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.87 1yud n SER 35 Cb 0.10 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.02 0.21 -4.14 4.33 1.74 -1.23 -5.06 116.66 110.49 1yud n ARG 36 Ca 0.00 -1.31 -0.24 0.00 -0.77 0.00 0.00 57.85 55.52 1yud n ARG 36 Cb 0.00 -0.35 -0.07 0.00 -1.02 0.00 0.00 32.46 31.02 1yud n ARG 36 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1yud s GLN 37 N -3.76 2.25 0.23 5.56 -1.52 -1.26 -3.45 119.66 117.70 1yud s GLN 37 Ca 0.33 -1.74 -0.08 0.00 -1.95 0.00 0.00 55.36 51.92 1yud s GLN 37 Cb -0.02 -2.04 0.22 0.00 -0.22 0.00 0.00 33.01 30.96 1yud s GLN 37 CO 0.22 -0.02 1.89 1.25 -0.25 0.00 0.00 175.29 178.38 1yud h LEU 38 N 1.51 0.93 -7.88 2.90 5.85 -1.45 0.97 115.31 118.14 1yud h LEU 38 Ca -0.43 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.40 1yud h LEU 38 Cb 1.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1yud h LEU 38 CO 0.67 0.66 0.48 -1.66 -0.34 0.00 0.00 178.44 178.25 1yud s TRP 39 N -6.12 0.01 -0.19 1.25 1.48 -0.94 -3.79 118.94 110.65 1yud s TRP 39 Ca -0.13 -0.44 -0.27 0.00 -1.06 0.00 0.00 56.10 54.19 1yud s TRP 39 Cb 0.16 0.71 0.09 0.00 -1.16 0.00 0.00 33.47 33.27 1yud s TRP 39 CO 0.79 -1.04 0.79 -1.54 -4.06 0.00 0.00 176.95 171.89 1yud s SER 40 N -3.18 -0.63 0.04 -2.66 1.04 -1.15 -1.23 113.70 105.92 1yud s SER 40 Ca 0.17 1.01 0.04 0.00 0.48 0.00 0.00 55.95 57.65 1yud s SER 40 Cb -0.03 0.95 -0.02 0.00 0.10 0.00 0.00 66.02 67.02 1yud s SER 40 CO 0.06 -0.35 -0.12 -0.55 0.98 0.00 0.00 173.24 173.25 1yud s SER 41 N -0.30 1.42 0.05 7.02 0.15 0.04 -2.54 113.70 119.54 1yud s SER 41 Ca -0.03 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1yud s SER 41 Cb -0.03 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1yud s SER 41 CO 0.03 -0.00 -0.03 0.27 1.20 0.00 0.00 173.24 174.71 1yud s ILE 42 N -0.87 0.21 0.66 6.45 -4.36 -0.81 -0.09 121.20 122.39 1yud s ILE 42 Ca -0.00 -1.69 -0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1yud s ILE 42 Cb -0.08 -1.36 0.06 0.00 1.25 0.00 0.00 42.46 42.33 1yud s ILE 42 CO 0.01 -0.93 0.94 -0.31 0.24 0.00 0.00 174.94 174.88 1yud s TYR 43 N -3.61 2.76 -0.30 1.37 2.02 0.79 -2.38 117.35 118.00 1yud s TYR 43 Ca 0.04 0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.88 1yud s TYR 43 Cb 0.06 -3.05 0.18 0.00 -0.40 0.00 0.00 41.96 38.74 1yud s TYR 43 CO -0.09 -1.28 0.86 0.12 -1.57 0.00 0.00 175.55 173.60 1yud s PHE 44 N -3.08 -0.98 0.16 2.71 2.19 -0.56 -3.47 117.98 114.94 1yud s PHE 44 Ca 0.60 1.16 0.05 0.00 0.33 0.00 0.00 56.93 59.07 1yud s PHE 44 Cb -0.10 0.39 -0.04 0.00 -1.31 0.00 0.00 43.02 41.96 1yud s PHE 44 CO 0.43 -0.52 0.10 -1.17 1.83 0.00 0.00 175.22 175.88 1yud s LEU 45 N 2.84 3.69 -0.04 6.12 0.20 0.62 -1.02 118.68 131.09 1yud s LEU 45 Ca 0.06 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.70 1yud s LEU 45 Cb -0.11 -2.31 0.03 0.00 -0.43 0.00 0.00 46.19 43.36 1yud s LEU 45 CO -0.16 0.09 0.00 -0.22 -0.29 0.00 0.00 176.35 175.77 1yud s LEU 46 N -2.98 1.03 0.25 -0.68 2.96 -0.12 -1.89 118.68 117.25 1yud s LEU 46 Ca 0.30 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.27 1yud s LEU 46 Cb -0.10 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1yud s LEU 46 CO 0.22 -0.12 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.96 1yud s ARG 47 N 1.22 2.20 0.52 1.98 0.52 -1.26 -0.94 118.95 123.19 1yud s ARG 47 Ca -0.07 -1.40 0.02 0.00 -0.52 0.00 0.00 55.73 53.76 1yud s ARG 47 Cb -0.13 -2.14 0.12 0.00 0.52 0.00 0.00 34.95 33.32 1yud s ARG 47 CO -0.02 0.38 0.97 1.15 0.02 0.00 0.00 175.30 177.80 1yud h THR 48 N 2.12 0.00 0.00 0.02 2.02 -1.88 1.13 112.91 116.32 1yud h THR 48 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1yud h THR 48 Cb 1.24 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1yud h THR 48 CO 0.59 0.00 -0.86 0.61 0.37 0.00 0.00 175.52 176.23 1yud n GLY 49 N -1.38 -0.64 3.69 2.16 0.00 -1.26 -4.99 105.19 102.77 1yud n GLY 49 Ca -0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.66 2.69 0.02 1.61 0.41 0.39 -5.07 118.70 116.10 1yud s GLU 50 Ca 0.06 -0.71 -0.06 0.00 -0.41 0.00 0.00 54.97 53.85 1yud s GLU 50 Cb 0.13 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1yud s GLU 50 CO 0.71 0.58 0.11 0.14 -0.49 0.00 0.00 175.26 176.31 1yud s VAL 51 N -1.21 0.11 -0.57 2.63 -7.23 -1.26 -4.43 120.40 108.44 1yud s VAL 51 Ca 0.23 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 59.26 1yud s VAL 51 Cb -0.12 -0.68 0.06 0.00 0.56 0.00 0.00 36.38 36.20 1yud s VAL 51 CO 0.15 -0.51 0.83 -0.55 -0.31 0.00 0.00 175.10 174.71 1yud s SER 52 N -1.81 6.24 0.29 4.85 0.15 0.37 -4.27 113.70 119.52 1yud s SER 52 Ca -0.09 -0.80 -0.29 0.00 0.70 0.00 0.00 55.95 55.46 1yud s SER 52 Cb -0.04 -2.37 -0.10 0.00 -1.71 0.00 0.00 66.02 61.79 1yud s SER 52 CO -0.02 -1.17 1.42 -1.00 1.20 0.00 0.00 173.24 173.66 1yud s HIS 53 N 3.46 2.96 0.00 3.44 3.76 -0.93 -1.66 115.29 126.32 1yud s HIS 53 Ca 0.22 1.14 -0.27 0.00 -0.15 0.00 0.00 55.06 55.99 1yud s HIS 53 Cb -0.17 -3.82 -0.14 0.00 1.11 0.00 0.00 32.58 29.57 1yud s HIS 53 CO 0.13 -2.53 0.73 1.19 -0.85 0.00 0.00 174.74 173.41 1yud n PHE 54 N 1.69 0.43 -3.49 1.40 0.99 0.13 -4.76 117.46 113.85 1yud n PHE 54 Ca 0.04 0.73 -0.11 0.00 -0.00 0.00 0.00 57.45 58.11 1yud n PHE 54 Cb 0.40 -1.43 -0.02 0.00 -1.00 0.00 0.00 39.48 37.43 1yud n PHE 54 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1yud s HIS 55 N -0.01 -0.47 -0.02 1.38 -3.43 -0.49 -2.97 115.29 109.29 1yud s HIS 55 Ca 0.62 0.22 0.06 0.00 -0.80 0.00 0.00 55.06 55.16 1yud s HIS 55 Cb -0.87 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 30.82 1yud s HIS 55 CO 0.39 -0.88 -0.19 0.50 -2.00 0.00 0.00 174.74 172.55 1yud s ARG 56 N -3.78 1.61 0.29 -0.38 3.52 0.24 -1.98 118.95 118.47 1yud s ARG 56 Ca 0.02 -0.70 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 1yud s ARG 56 Cb -0.01 -1.54 -0.04 0.00 -1.56 0.00 0.00 34.95 31.80 1yud s ARG 56 CO -0.10 0.41 0.14 -0.51 -0.81 0.00 0.00 175.30 174.43 1yud s LEU 57 N -0.43 3.48 0.08 -0.88 1.02 -1.26 -2.22 118.68 118.48 1yud s LEU 57 Ca 0.07 -0.51 0.22 0.00 0.02 0.00 0.00 54.13 53.93 1yud s LEU 57 Cb -0.08 -2.01 -0.09 0.00 0.02 0.00 0.00 46.19 44.03 1yud s LEU 57 CO -0.01 -0.13 0.86 0.41 0.02 0.00 0.00 176.35 177.51 1yud n THR 58 N -1.12 0.29 -4.40 5.49 -1.04 -0.50 -2.04 114.28 110.96 1yud n THR 58 Ca -0.06 -0.43 -0.20 0.00 -2.04 0.00 0.00 64.05 61.32 1yud n THR 58 Cb 0.59 -0.05 -0.10 0.00 -1.82 0.00 0.00 70.33 68.95 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 -3.36 2.19 0.90 2.41 0.00 -1.26 -4.66 121.76 117.98 1yud s ALA 59 Ca -0.01 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 49.98 1yud s ALA 59 Cb 0.12 0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.63 1yud s ALA 59 CO 0.83 -0.11 1.09 -0.51 0.00 0.00 0.00 175.76 177.06 1yud s ASP 60 N -3.40 3.39 0.00 0.00 -0.00 -1.26 -4.24 116.67 111.16 1yud s ASP 60 Ca 0.29 1.60 0.00 0.00 -0.00 0.00 0.00 52.55 54.44 1yud s ASP 60 Cb 0.04 -2.26 0.00 0.00 -0.00 0.00 0.00 42.92 40.70 1yud s ASP 60 CO 0.11 -2.71 0.00 1.21 -0.00 0.00 0.00 175.17 173.78 1yud n GLU 61 N -3.94 0.00 -3.53 8.23 2.13 -1.13 -2.80 120.64 119.61 1yud n GLU 61 Ca 0.07 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.89 1yud n GLU 61 Cb 0.55 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.21 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 -2.44 -0.79 0.25 4.31 0.52 0.38 -2.14 118.94 119.04 1yud s TRP 63 Ca 0.00 1.43 0.08 0.00 0.02 0.00 0.00 56.10 57.63 1yud s TRP 63 Cb 0.00 0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 32.75 1yud s TRP 63 CO 0.00 -0.39 0.08 0.71 0.02 0.00 0.00 176.95 177.37 1yud s TYR 64 N 2.17 2.88 -0.20 -1.98 2.02 0.15 -1.85 117.35 120.53 1yud s TYR 64 Ca -0.05 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1yud s TYR 64 Cb -0.06 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1yud s TYR 64 CO -0.17 0.58 -0.17 0.12 -1.57 0.00 0.00 175.55 174.34 1yud s PHE 65 N -2.21 2.87 -0.19 2.71 5.36 -0.86 -1.56 117.98 124.10 1yud s PHE 65 Ca 0.32 -1.65 -0.16 0.00 -0.96 0.00 0.00 56.93 54.48 1yud s PHE 65 Cb -0.07 -1.95 -0.11 0.00 -0.34 0.00 0.00 43.02 40.55 1yud s PHE 65 CO 0.22 -0.79 -0.06 0.72 -1.46 0.00 0.00 175.22 173.85 1yud n HIS 66 N 4.62 0.76 -3.69 10.12 8.25 -1.18 -4.97 115.22 129.11 1yud n HIS 66 Ca -0.20 0.33 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 1yud n HIS 66 Cb 0.49 -0.91 -0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.57 -2.12 0.00 -1.41 0.00 -1.22 -5.04 121.76 109.40 1yud s ALA 67 Ca -0.25 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1yud s ALA 67 Cb 0.05 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1yud s ALA 67 CO 0.43 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1yud n GLY 68 N -0.54 0.77 3.37 0.00 0.00 -1.26 -1.86 105.19 105.67 1yud n GLY 68 Ca -0.07 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 3.45 0.23 1.61 1.11 0.20 -4.94 119.66 121.31 1yud s GLN 69 Ca 0.00 -0.62 -0.29 0.00 0.01 0.00 0.00 55.36 54.46 1yud s GLN 69 Cb 0.00 -2.88 -0.16 0.00 -1.01 0.00 0.00 33.01 28.96 1yud s GLN 69 CO 0.00 0.02 0.81 -1.13 0.01 0.00 0.00 175.29 175.00 1yud n SER 70 N 4.16 0.17 -0.74 5.90 3.41 -1.26 -4.63 113.62 120.63 1yud n SER 70 Ca -0.18 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1yud n SER 70 Cb 0.52 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1yud n SER 70 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yud n LEU 71 N 1.64 0.00 -3.61 1.04 4.77 -0.85 -1.21 117.00 118.78 1yud n LEU 71 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.09 1yud n LEU 71 Cb 0.28 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1yud n LEU 71 CO 0.58 -0.14 0.18 -0.89 -1.33 0.00 0.00 177.39 175.80 1yud s THR 72 N 1.30 -0.90 -0.35 -5.08 2.01 -0.76 -3.66 115.64 108.21 1yud s THR 72 Ca 0.00 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 1yud s THR 72 Cb 0.00 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1yud s THR 72 CO 0.00 0.02 0.50 -0.63 -0.69 0.00 0.00 174.62 173.82 1yud s ILE 73 N 2.81 5.02 0.36 1.82 -1.09 -1.06 -2.94 121.20 126.14 1yud s ILE 73 Ca -0.03 0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 1yud s ILE 73 Cb -0.12 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1yud s ILE 73 CO -0.17 -0.21 0.53 -0.31 -1.23 0.00 0.00 174.94 173.54 1yud s TYR 74 N 2.37 3.19 -0.30 3.97 1.51 0.01 -2.93 117.35 125.18 1yud s TYR 74 Ca 0.18 -0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 56.08 1yud s TYR 74 Cb -0.16 -2.06 0.18 0.00 -0.11 0.00 0.00 41.96 39.82 1yud s TYR 74 CO 0.13 -0.08 1.03 0.42 -1.11 0.00 0.00 175.55 175.94 1yud s ILE 76 N -2.28 -0.36 0.80 2.71 1.01 0.51 -1.14 121.20 122.44 1yud s ILE 76 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 1yud s ILE 76 Cb -0.10 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.46 1yud s ILE 76 CO 0.33 0.00 1.17 -1.54 0.00 0.00 0.00 174.94 174.90 1yud n SER 77 N 5.47 0.93 0.20 3.58 3.41 -0.13 -2.98 113.62 124.10 1yud n SER 77 Ca -0.06 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1yud n SER 77 Cb 0.54 -1.49 0.71 0.00 -0.26 0.00 0.00 64.21 63.71 1yud n SER 77 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1yud h PRO 78 N -0.84 0.00 -0.64 4.33 0.13 -1.91 0.12 132.00 133.18 1yud h PRO 78 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1yud h PRO 78 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1yud h PRO 78 CO 0.46 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1yud n GLU 79 N -2.42 3.34 -2.89 0.86 4.71 -1.26 -4.95 120.64 118.04 1yud n GLU 79 Ca -0.02 -2.23 -0.04 0.00 -0.01 0.00 0.00 57.16 54.86 1yud n GLU 79 Cb 0.04 -1.84 0.02 0.00 -1.01 0.00 0.00 31.44 28.65 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 0.80 -1.02 2.70 0.62 0.00 0.42 -5.05 105.19 103.66 1yud n GLY 80 Ca 0.20 0.40 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.40 -0.00 -0.27 1.61 2.12 -1.25 -4.91 118.70 112.59 1yud s GLU 81 Ca 0.13 0.29 -0.20 0.00 0.36 0.00 0.00 54.97 55.56 1yud s GLU 81 Cb -0.02 -0.83 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 1yud s GLU 81 CO 0.64 -0.43 0.61 -1.17 -0.54 0.00 0.00 175.26 174.36 1yud s LEU 82 N 2.20 4.09 0.20 2.70 2.96 -1.26 -0.95 118.68 128.62 1yud s LEU 82 Ca 0.04 0.56 0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1yud s LEU 82 Cb -0.13 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1yud s LEU 82 CO -0.06 -0.39 -0.20 0.42 -1.32 0.00 0.00 176.35 174.80 1yud s THR 83 N 2.50 2.57 0.12 3.68 -4.23 -1.26 -5.02 115.64 114.01 1yud s THR 83 Ca 0.25 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1yud s THR 83 Cb -0.15 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1yud s THR 83 CO 0.10 -0.15 -0.08 0.42 -0.54 0.00 0.00 174.62 174.37 1yud s THR 84 N -1.78 0.88 -0.00 3.99 -4.23 -1.26 -4.44 115.64 108.80 1yud s THR 84 Ca 0.23 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1yud s THR 84 Cb -0.08 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.06 1yud s THR 84 CO 0.12 -0.80 0.22 0.00 -0.54 0.00 0.00 174.62 173.61 1yud s ALA 85 N -3.42 -0.53 -0.45 3.99 0.00 -1.15 -4.98 121.76 115.23 1yud s ALA 85 Ca 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 1yud s ALA 85 Cb 0.04 0.11 0.11 0.00 0.00 0.00 0.00 23.12 23.38 1yud s ALA 85 CO -0.02 -0.24 0.30 -0.65 0.00 0.00 0.00 175.76 175.14 1yud s GLN 86 N -1.44 2.35 0.29 0.00 -1.52 -1.26 -2.56 119.66 115.52 1yud s GLN 86 Ca -0.14 -1.76 -0.23 0.00 -1.95 0.00 0.00 55.36 51.28 1yud s GLN 86 Cb -0.06 -3.82 -0.09 0.00 -0.22 0.00 0.00 33.01 28.81 1yud s GLN 86 CO 0.02 -1.15 0.86 -1.17 -0.25 0.00 0.00 175.29 173.61 1yud s LEU 87 N 1.30 4.31 0.00 2.90 2.96 -1.24 -0.90 118.68 128.02 1yud s LEU 87 Ca 0.06 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1yud s LEU 87 Cb -0.25 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.54 1yud s LEU 87 CO -0.02 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1yud n GLY 88 N 0.52 -0.12 0.97 7.98 0.00 -1.13 -2.00 105.19 111.41 1yud n GLY 88 Ca 0.01 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.40 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 3.69 -4.38 0.99 4.77 -1.26 -2.65 117.00 118.16 1yud n LEU 89 Ca 0.00 -2.40 -0.45 0.00 -0.03 0.00 0.00 56.01 53.13 1yud n LEU 89 Cb 0.00 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1yud n LEU 89 CO 0.00 0.74 0.13 -0.62 -1.33 0.00 0.00 177.39 176.32 1yud s ASP 90 N -1.25 6.17 0.49 -1.43 3.68 -1.26 -4.90 116.67 118.17 1yud s ASP 90 Ca 0.36 -1.35 0.28 0.00 2.13 0.00 0.00 52.55 53.98 1yud s ASP 90 Cb 0.24 -2.22 0.90 0.00 -1.45 0.00 0.00 42.92 40.39 1yud s ASP 90 CO 0.17 -0.77 1.81 -0.07 0.13 0.00 0.00 175.17 176.44 1yud h LEU 91 N 9.05 0.00 0.40 -1.34 3.38 -1.92 -2.80 115.31 122.09 1yud h LEU 91 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1yud h LEU 91 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1yud h LEU 91 CO 0.94 0.04 -0.38 0.00 0.09 0.00 0.00 178.44 179.13 1yud h ALA 92 N 1.96 -1.07 -1.97 1.53 0.00 -1.90 -3.42 119.26 114.38 1yud h ALA 92 Ca -0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 54.91 54.33 1yud h ALA 92 Cb 0.75 0.60 0.18 0.00 0.00 0.00 0.00 17.79 19.32 1yud h ALA 92 CO 0.01 -1.09 0.30 0.00 0.00 0.00 0.00 179.25 178.47 1yud s ALA 93 N -5.20 1.50 0.00 0.00 0.00 -1.23 -4.87 121.76 111.96 1yud s ALA 93 Ca -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1yud s ALA 93 Cb 0.03 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1yud s ALA 93 CO 0.45 -3.02 1.20 0.41 0.00 0.00 0.00 175.76 174.80 1yud n GLY 94 N -2.58 1.81 3.74 0.00 0.00 -1.26 -4.88 105.19 102.02 1yud n GLY 94 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 0.37 4.62 -0.05 1.61 2.02 -1.06 -4.38 118.70 121.84 1yud s GLU 95 Ca 0.00 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.29 1yud s GLU 95 Cb 0.00 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1yud s GLU 95 CO 0.00 0.29 -0.06 0.50 0.02 0.00 0.00 175.26 176.01 1yud s ARG 96 N -0.20 0.98 0.59 1.61 6.06 -0.07 -4.30 118.95 123.61 1yud s ARG 96 Ca 0.42 -0.15 0.28 0.00 -2.50 0.00 0.00 55.73 53.78 1yud s ARG 96 Cb -0.22 -0.94 1.65 0.00 0.06 0.00 0.00 34.95 35.49 1yud s ARG 96 CO 0.27 -0.07 2.10 -1.35 -2.50 0.00 0.00 175.30 173.75 1yud h PRO 97 N 7.18 0.00 -6.41 5.12 0.11 -1.81 -2.99 132.00 133.19 1yud h PRO 97 Ca -0.36 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.15 1yud h PRO 97 Cb 1.16 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1yud h PRO 97 CO 0.47 0.00 -0.84 -0.65 -0.21 0.00 0.00 178.00 176.77 1yud s GLN 98 N -4.65 1.22 -0.05 1.05 -0.21 -1.26 -2.03 119.66 113.73 1yud s GLN 98 Ca -0.05 -1.23 -0.19 0.00 0.02 0.00 0.00 55.36 53.91 1yud s GLN 98 Cb 0.15 -1.56 0.04 0.00 1.00 0.00 0.00 33.01 32.65 1yud s GLN 98 CO 0.55 0.36 0.43 0.12 -2.12 0.00 0.00 175.29 174.64 1yud s PHE 99 N -1.14 -0.36 -0.28 0.91 5.36 -0.77 -4.97 117.98 116.72 1yud s PHE 99 Ca 0.09 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.71 1yud s PHE 99 Cb -0.10 0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.82 1yud s PHE 99 CO 0.05 -0.42 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.17 1yud s LEU 100 N -1.03 3.62 -0.57 6.12 1.98 -1.26 -0.47 118.68 127.06 1yud s LEU 100 Ca -0.11 -1.21 -0.21 0.00 -2.89 0.00 0.00 54.13 49.71 1yud s LEU 100 Cb -0.04 -1.66 0.07 0.00 0.66 0.00 0.00 46.19 45.22 1yud s LEU 100 CO 0.05 -0.21 0.79 0.54 -1.89 0.00 0.00 176.35 175.62 1yud s VAL 101 N 1.23 4.64 0.28 1.68 0.11 -0.91 -4.97 120.40 122.45 1yud s VAL 101 Ca -0.05 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1yud s VAL 101 Cb -0.19 -4.48 -0.13 0.00 -1.53 0.00 0.00 36.38 30.04 1yud s VAL 101 CO -0.03 -1.10 1.24 -0.81 -3.33 0.00 0.00 175.10 171.07 1yud n PRO 102 N 6.82 1.80 -0.70 1.54 -0.04 -1.26 -2.81 135.00 140.35 1yud n PRO 102 Ca -0.05 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.76 1yud n PRO 102 Cb 0.45 -2.18 0.22 0.00 -0.04 0.00 0.00 33.50 31.95 1yud n PRO 102 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1yud s LYS 103 N -1.16 -0.30 0.00 0.54 -2.85 -1.26 -3.50 119.74 111.21 1yud s LYS 103 Ca 0.62 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.50 1yud s LYS 103 Cb -0.66 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 1yud s LYS 103 CO 0.56 -3.33 0.00 0.41 0.10 0.00 0.00 175.35 173.10 1yud n GLY 104 N 0.32 0.64 3.63 0.59 0.00 -0.86 -4.99 105.19 104.51 1yud n GLY 104 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.12 4.98 0.15 0.00 1.01 -1.16 -4.27 121.20 120.79 1yud s ILE 106 Ca 0.20 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 62.03 1yud s ILE 106 Cb -0.11 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1yud s ILE 106 CO 0.12 0.05 0.15 0.72 0.00 0.00 0.00 174.94 175.98 1yud s PHE 107 N 2.26 0.70 0.37 3.97 -0.71 -0.84 -0.36 117.98 123.37 1yud s PHE 107 Ca 0.29 -1.06 -0.14 0.00 -1.04 0.00 0.00 56.93 54.98 1yud s PHE 107 Cb -0.16 -0.32 0.04 0.00 -1.21 0.00 0.00 43.02 41.38 1yud s PHE 107 CO 0.09 -0.61 0.73 0.20 -1.34 0.00 0.00 175.22 174.30 1yud s GLY 108 N -3.03 0.52 -0.07 1.99 0.00 -0.29 -1.40 107.32 105.05 1yud s GLY 108 Ca 0.22 -0.85 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 1yud s GLY 108 CO 0.02 -0.41 0.58 -0.45 0.00 0.00 0.00 173.10 172.84 1yud s SER 109 N -3.09 -0.54 0.00 1.64 0.15 -0.66 -0.81 113.70 110.39 1yud s SER 109 Ca 0.18 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1yud s SER 109 Cb -0.04 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1yud s SER 109 CO 0.13 -0.51 0.00 0.00 1.20 0.00 0.00 173.24 174.05 1yud n ALA 110 N 1.27 0.00 0.00 5.45 0.00 -1.15 -0.48 120.51 125.60 1yud n ALA 110 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 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 2.51 -4.17 0.00 5.03 -0.35 -1.82 115.26 116.47 1yud n ASN 112 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1yud n ASN 112 Cb 0.00 0.38 -0.10 0.00 -1.02 0.00 0.00 39.78 39.04 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 -1.24 0.88 0.32 3.52 -1.52 -1.26 -5.08 119.66 115.27 1yud s GLN 113 Ca 0.00 -1.39 -0.28 0.00 -1.95 0.00 0.00 55.36 51.74 1yud s GLN 113 Cb 0.00 -0.03 -0.10 0.00 -0.22 0.00 0.00 33.01 32.66 1yud s GLN 113 CO 0.00 -0.12 1.16 -0.51 -0.25 0.00 0.00 175.29 175.56 1yud s ASP 114 N -3.05 7.01 0.00 5.90 1.01 -1.26 -4.82 116.67 121.46 1yud s ASP 114 Ca 0.17 2.37 0.00 0.00 0.71 0.00 0.00 52.55 55.80 1yud s ASP 114 Cb 0.07 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1yud s ASP 114 CO -0.02 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 175.64 1yud n GLY 115 N 0.97 0.16 3.42 0.21 0.00 -1.26 -5.03 105.19 103.67 1yud n GLY 115 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.00 1.90 -0.24 1.61 -0.71 -1.26 -2.78 117.98 112.49 1yud s PHE 116 Ca 0.00 -0.88 -0.03 0.00 -1.04 0.00 0.00 56.93 54.98 1yud s PHE 116 Cb 0.00 -1.18 0.13 0.00 -1.21 0.00 0.00 43.02 40.77 1yud s PHE 116 CO 0.00 0.08 0.41 -1.12 -1.34 0.00 0.00 175.22 173.25 1yud s SER 117 N -3.44 -0.03 -0.05 1.98 0.01 -0.11 0.61 113.70 112.66 1yud s SER 117 Ca 0.33 0.42 -0.17 0.00 1.31 0.00 0.00 55.95 57.85 1yud s SER 117 Cb 0.07 1.28 -0.05 0.00 0.21 0.00 0.00 66.02 67.53 1yud s SER 117 CO 0.13 -0.28 0.45 -0.22 0.41 0.00 0.00 173.24 173.73 1yud s LEU 118 N 2.59 4.39 -0.00 2.44 2.96 -0.78 -0.94 118.68 129.35 1yud s LEU 118 Ca 0.11 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1yud s LEU 118 Cb -0.15 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1yud s LEU 118 CO -0.16 0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.44 1yud s VAL 119 N -0.32 0.07 -0.18 1.68 1.01 -0.19 -3.13 120.40 119.34 1yud s VAL 119 Ca 0.25 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1yud s VAL 119 Cb -0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1yud s VAL 119 CO 0.12 -0.32 0.07 -0.83 0.00 0.00 0.00 175.10 174.15 1yud s GLY 120 N -1.04 1.93 0.39 4.51 0.00 -0.60 -1.50 107.32 111.00 1yud s GLY 120 Ca -0.11 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 43.91 1yud s GLY 120 CO 0.00 0.04 0.08 0.00 0.00 0.00 0.00 173.10 173.23 1yud s VAL 123 N -3.17 -0.02 0.00 0.00 0.11 -1.05 -1.92 120.40 114.34 1yud s VAL 123 Ca 0.27 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1yud s VAL 123 Cb 0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1yud s VAL 123 CO 0.14 0.00 0.40 -0.24 -3.33 0.00 0.00 175.10 172.06 1yud n SER 124 N 3.45 0.00 -4.57 3.54 2.88 -1.12 -2.95 113.62 114.84 1yud n SER 124 Ca -0.15 0.40 -0.40 0.00 -1.33 0.00 0.00 58.87 57.39 1yud n SER 124 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1yud n SER 124 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1yud s PRO 125 N -0.80 2.83 0.00 -1.46 0.02 -1.25 -2.20 135.00 132.14 1yud s PRO 125 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.20 1yud s PRO 125 Cb 0.00 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1yud s PRO 125 CO 0.00 -2.47 0.00 0.41 -0.33 0.00 0.00 177.00 174.61 1yud n GLY 126 N 5.66 0.00 3.56 0.52 0.00 0.34 -4.63 105.19 110.64 1yud n GLY 126 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.57 0.31 1.61 5.36 -1.26 -4.49 117.98 121.07 1yud s PHE 127 Ca 0.00 1.01 -0.01 0.00 -0.96 0.00 0.00 56.93 56.97 1yud s PHE 127 Cb 0.00 -3.90 -0.04 0.00 -0.34 0.00 0.00 43.02 38.74 1yud s PHE 127 CO 0.00 -1.97 0.53 0.95 -1.46 0.00 0.00 175.22 173.27 1yud s THR 128 N 10.82 5.10 -2.00 0.12 -4.23 -1.26 -4.96 115.64 119.23 1yud s THR 128 Ca 0.76 -0.31 0.19 0.00 -1.18 0.00 0.00 61.69 61.15 1yud s THR 128 Cb -0.11 -3.81 0.54 0.00 1.34 0.00 0.00 72.50 70.47 1yud s THR 128 CO 0.10 -0.44 1.53 0.49 -0.54 0.00 0.00 174.62 175.76 1yud n PHE 129 N -1.39 0.00 0.13 3.99 3.72 -1.26 -1.71 117.46 120.94 1yud n PHE 129 Ca -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1yud n PHE 129 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1yud n PHE 129 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1yud h ASP 130 N 0.00 0.00 -0.33 4.37 5.19 -1.98 -3.02 116.42 120.64 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 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1yud h ASP 130 CO 0.00 0.57 0.00 0.47 -3.12 0.00 0.00 179.24 177.16 1yud n ASP 131 N -3.24 1.86 -4.73 6.45 8.00 -0.69 -4.88 116.55 119.32 1yud n ASP 131 Ca 0.01 -2.02 -0.23 0.00 0.71 0.00 0.00 54.79 53.26 1yud n ASP 131 Cb 0.77 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.56 2.70 -0.30 1.24 5.36 -1.14 -1.41 117.98 122.87 1yud s PHE 132 Ca 0.23 -0.39 -0.14 0.00 -0.96 0.00 0.00 56.93 55.67 1yud s PHE 132 Cb 0.12 -1.65 0.18 0.00 -0.34 0.00 0.00 43.02 41.33 1yud s PHE 132 CO 0.15 0.33 1.09 -2.00 -1.46 0.00 0.00 175.22 173.33 1yud s GLU 133 N -3.85 0.13 0.28 10.12 2.12 -0.94 -4.93 118.70 121.64 1yud s GLU 133 Ca 0.38 0.19 -0.13 0.00 0.36 0.00 0.00 54.97 55.77 1yud s GLU 133 Cb -0.02 0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.39 1yud s GLU 133 CO 0.23 -0.19 0.67 -1.17 -0.54 0.00 0.00 175.26 174.26 1yud s LEU 134 N 2.96 4.11 0.03 2.70 2.96 -1.26 -0.59 118.68 129.59 1yud s LEU 134 Ca 0.09 1.16 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 1yud s LEU 134 Cb -0.06 -3.91 -0.02 0.00 0.50 0.00 0.00 46.19 42.69 1yud s LEU 134 CO -0.15 -0.15 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.14 1yud s PHE 135 N -1.90 2.11 0.43 5.38 0.40 -1.16 -4.97 117.98 118.26 1yud s PHE 135 Ca 0.51 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.24 1yud s PHE 135 Cb -0.11 -1.28 -0.11 0.00 0.51 0.00 0.00 43.02 42.03 1yud s PHE 135 CO 0.19 0.07 0.94 -1.54 0.70 0.00 0.00 175.22 175.58 1yud s SER 136 N -1.04 6.93 0.42 1.36 1.04 -1.26 -4.56 113.70 116.59 1yud s SER 136 Ca 0.10 1.67 0.11 0.00 0.48 0.00 0.00 55.95 58.31 1yud s SER 136 Cb -0.09 -2.53 0.96 0.00 0.10 0.00 0.00 66.02 64.45 1yud s SER 136 CO 0.01 -0.36 2.01 -0.61 0.98 0.00 0.00 173.24 175.28 1yud h GLN 137 N 1.91 0.46 0.00 4.02 4.15 -1.37 -2.74 115.11 121.53 1yud h GLN 137 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1yud h GLN 137 Cb 1.18 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1yud h GLN 137 CO 0.61 0.30 0.00 0.39 -1.93 0.00 0.00 178.83 178.20 1yud n GLU 138 N -4.47 0.00 -0.31 1.69 4.71 -1.26 -1.38 120.64 119.61 1yud n GLU 138 Ca 0.07 0.56 0.21 0.00 -0.01 0.00 0.00 57.16 57.99 1yud n GLU 138 Cb 0.24 -1.33 0.49 0.00 -1.01 0.00 0.00 31.44 29.82 1yud n GLU 138 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yud h ALA 139 N -1.70 2.16 0.00 0.62 0.00 -1.94 -0.06 119.26 118.34 1yud h ALA 139 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1yud h ALA 139 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yud h ALA 139 CO 0.00 -0.55 -0.28 -0.07 0.00 0.00 0.00 179.25 178.35 1yud h LEU 140 N 0.44 0.00 0.00 0.00 3.38 -1.16 -2.37 115.31 115.60 1yud h LEU 140 Ca 0.58 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.48 1yud h LEU 140 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1yud h LEU 140 CO -0.29 0.28 -0.98 -0.07 0.09 0.00 0.00 178.44 177.47 1yud h LEU 141 N 0.00 0.00 0.00 1.67 -0.00 0.21 -3.39 115.31 113.80 1yud h LEU 141 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1yud h LEU 141 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1yud h LEU 141 CO 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 178.44 178.71 1yud n ALA 142 N -2.25 1.88 -1.48 1.53 0.00 -0.73 -4.03 120.51 115.43 1yud n ALA 142 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1yud n ALA 142 Cb 0.66 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.00 0.00 0.06 0.00 4.01 -1.26 -4.98 117.16 113.98 1yud n TYR 144 Ca 0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1yud n TYR 144 Cb 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.52 0.00 0.00 -0.72 0.11 -1.81 -3.33 132.00 126.77 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 0.74 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1yud n GLN 146 N -3.22 0.41 -0.06 1.05 0.00 -1.26 -2.77 117.38 111.53 1yud n GLN 146 Ca -0.04 0.02 0.08 0.00 0.00 0.00 0.00 57.00 57.06 1yud n GLN 146 Cb 0.92 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 29.77 1yud n GLN 146 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1yud n HIS 147 N -1.04 0.00 -0.32 2.61 8.25 -1.25 -4.82 115.22 118.65 1yud n HIS 147 Ca 0.10 -0.91 0.11 0.00 -0.26 0.00 0.00 57.72 56.75 1yud n HIS 147 Cb 0.06 -0.13 0.23 0.00 1.12 0.00 0.00 29.99 31.26 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 0.00 0.03 -0.84 -0.41 3.64 -1.74 -1.76 116.57 115.49 1yud h LYS 148 Ca 0.00 -0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1yud h LYS 148 Cb 0.92 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.57 1yud h LYS 148 CO 0.00 0.02 -0.18 0.00 -2.27 0.00 0.00 179.45 177.02 1yud h ALA 149 N 1.91 0.60 0.00 5.00 0.00 -1.89 -0.79 119.26 124.10 1yud h ALA 149 Ca 0.53 0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.68 1yud h ALA 149 Cb 1.02 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1yud h ALA 149 CO -0.87 -0.41 -1.08 -0.24 0.00 0.00 0.00 179.25 176.64 1yud h VAL 150 N 0.01 0.26 -0.02 0.00 3.04 -1.75 -3.31 116.25 114.48 1yud h VAL 150 Ca 0.41 -1.50 -0.07 0.00 -1.01 0.00 0.00 66.70 64.53 1yud h VAL 150 Cb 0.65 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1yud h VAL 150 CO -0.85 0.15 -0.34 0.58 -1.01 0.00 0.00 177.57 176.10 1yud h VAL 151 N 0.00 1.25 0.00 1.51 2.07 -0.66 -2.04 116.25 118.38 1yud h VAL 151 Ca -0.07 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1yud h VAL 151 Cb 1.27 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1yud h VAL 151 CO 0.02 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1yud n GLN 152 N -4.13 0.87 0.00 1.57 6.02 -0.41 -2.74 117.38 118.55 1yud n GLN 152 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1yud n GLN 152 Cb 0.39 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1yud n GLN 152 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1yud n LYS 153 N -0.62 0.00 -1.28 -1.09 4.01 -0.81 -4.76 118.16 113.60 1yud n LYS 153 Ca 0.05 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.59 1yud n LYS 153 Cb 0.02 -0.91 0.13 0.00 -0.51 0.00 0.00 35.03 33.77 1yud n LYS 153 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yud n LEU 154 N -2.53 6.71 -3.66 -0.35 4.77 -0.96 -4.95 117.00 116.02 1yud n LEU 154 Ca 0.00 -4.01 -0.08 0.00 -0.03 0.00 0.00 56.01 51.89 1yud n LEU 154 Cb 0.48 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1yud n LEU 154 CO 0.00 1.34 0.51 -0.55 -1.33 0.00 0.00 177.39 177.36 1yud s SER 155 N -1.85 -0.36 -0.07 -1.43 0.15 -1.11 0.20 113.70 109.22 1yud s SER 155 Ca 0.58 -0.32 -0.09 0.00 0.70 0.00 0.00 55.95 56.83 1yud s SER 155 Cb 0.48 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1yud s SER 155 CO 0.04 -1.08 0.24 -0.13 1.20 0.00 0.00 173.24 173.50 1yud s ARG 156 N -3.69 0.35 1.07 5.44 0.52 -1.26 -4.81 118.95 116.57 1yud s ARG 156 Ca 0.07 0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 55.35 1yud s ARG 156 Cb -0.03 0.16 0.23 0.00 0.52 0.00 0.00 34.95 35.83 1yud s ARG 156 CO -0.02 -0.06 1.07 -1.25 0.02 0.00 0.00 175.30 175.06 1yud s PRO 157 N -0.21 -0.19 0.00 3.54 0.04 -1.26 -0.98 135.00 135.94 1yud s PRO 157 Ca -0.03 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1yud s PRO 157 Cb -0.03 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1yud s PRO 157 CO 0.01 -3.17 0.00 -1.91 0.04 0.00 0.00 177.00 171.97