#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 3.43 -0.08 1.08 5.15 -1.26 -5.02 115.26 118.56 1yud n ASN 3 Ca 0.00 -3.28 -0.13 0.00 -0.60 0.00 0.00 54.58 50.57 1yud n ASN 3 Cb 0.00 0.35 -0.08 0.00 -0.53 0.00 0.00 39.78 39.52 1yud n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yud h ALA 4 N 1.24 -0.72 -0.82 5.20 0.00 -1.96 -2.21 119.26 119.99 1yud h ALA 4 Ca -0.43 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.63 1yud h ALA 4 Cb 1.32 1.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.95 1yud h ALA 4 CO 0.72 -1.01 -0.20 -0.44 0.00 0.00 0.00 179.25 178.31 1yud h ASP 5 N -0.46 -0.75 -0.68 0.00 3.32 -1.98 -0.46 116.42 115.41 1yud h ASP 5 Ca 0.07 0.24 0.18 0.00 0.02 0.00 0.00 57.03 57.55 1yud h ASP 5 Cb 0.63 0.50 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1yud h ASP 5 CO -0.52 -0.27 0.48 0.44 -1.72 0.00 0.00 179.24 177.65 1yud h ASP 6 N 0.00 0.12 0.00 6.45 5.19 -1.79 0.18 116.42 126.57 1yud h ASP 6 Ca 0.40 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.67 1yud h ASP 6 Cb 0.61 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1yud h ASP 6 CO -0.84 0.06 -0.80 -0.26 -3.12 0.00 0.00 179.24 174.28 1yud h PHE 7 N 0.12 0.00 0.00 4.55 -1.00 -1.08 -2.96 116.94 116.57 1yud h PHE 7 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1yud h PHE 7 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1yud h PHE 7 CO -0.00 1.25 0.08 0.97 -1.61 0.00 0.00 178.31 179.00 1yud h ILE 8 N -1.00 0.00 0.26 -0.55 6.09 -1.20 -0.72 117.51 120.38 1yud h ILE 8 Ca -0.22 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1yud h ILE 8 Cb 1.15 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.27 1yud h ILE 8 CO -0.13 0.00 -0.12 0.50 -3.07 0.00 0.00 178.15 175.33 1yud h LYS 9 N 0.00 -0.33 0.17 2.19 3.64 -0.70 -2.99 116.57 118.55 1yud h LYS 9 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1yud h LYS 9 Cb 0.16 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1yud h LYS 9 CO 0.00 -0.08 -0.08 0.74 -2.27 0.00 0.00 179.45 177.76 1yud h PHE 10 N -1.03 -0.21 0.00 1.91 0.04 -1.22 -3.29 116.94 113.14 1yud h PHE 10 Ca -0.04 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1yud h PHE 10 Cb 0.40 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1yud h PHE 10 CO 0.03 0.11 0.08 1.28 -0.60 0.00 0.00 178.31 179.22 1yud n LEU 11 N -4.92 0.38 -3.23 1.54 4.77 -0.34 -4.83 117.00 110.37 1yud n LEU 11 Ca -0.06 0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 56.40 1yud n LEU 11 Cb 0.21 -0.67 0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1yud n LEU 11 CO 0.18 -0.77 0.10 -0.62 -1.33 0.00 0.00 177.39 174.95 1yud n GLU 12 N -2.01 -5.85 -1.95 3.23 1.02 -1.22 -4.88 120.64 108.98 1yud n GLU 12 Ca -0.01 0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 1yud n GLU 12 Cb 0.10 -5.60 0.02 0.00 -0.02 0.00 0.00 31.44 25.94 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 -5.97 3.47 0.09 -4.62 1.43 -1.13 -4.77 118.68 107.18 1yud s LEU 13 Ca 0.03 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 1yud s LEU 13 Cb -0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1yud s LEU 13 CO 0.67 -1.34 -0.07 -1.61 0.23 0.00 0.00 176.35 174.23 1yud s GLU 14 N -4.03 0.77 0.22 1.70 2.02 -0.41 -4.84 118.70 114.13 1yud s GLU 14 Ca 0.65 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 1yud s GLU 14 Cb -0.18 -0.23 -0.11 0.00 0.10 0.00 0.00 34.13 33.72 1yud s GLU 14 CO 0.38 -0.00 1.56 -0.65 0.02 0.00 0.00 175.26 176.56 1yud s GLN 15 N -3.34 4.20 -0.14 1.61 -0.21 -1.26 0.32 119.66 120.84 1yud s GLN 15 Ca 0.07 2.42 -0.09 0.00 0.02 0.00 0.00 55.36 57.79 1yud s GLN 15 Cb 0.02 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 1yud s GLN 15 CO -0.04 -0.58 0.16 -1.58 -2.12 0.00 0.00 175.29 171.14 1yud s HIS 16 N 0.56 3.54 0.42 0.91 5.65 -0.13 -4.78 115.29 121.46 1yud s HIS 16 Ca 0.66 0.49 0.26 0.00 0.25 0.00 0.00 55.06 56.72 1yud s HIS 16 Cb -0.45 -2.05 1.31 0.00 -1.18 0.00 0.00 32.58 30.20 1yud s HIS 16 CO 0.38 0.56 1.68 -0.24 -0.65 0.00 0.00 174.74 176.47 1yud h VAL 17 N 4.24 0.27 -0.19 0.89 3.04 -1.94 0.79 116.25 123.35 1yud h VAL 17 Ca -0.49 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1yud h VAL 17 Cb 1.20 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1yud h VAL 17 CO 0.65 0.04 0.00 -1.84 -1.01 0.00 0.00 177.57 175.41 1yud n GLU 18 N -4.68 1.51 0.00 4.17 0.28 -1.26 -4.99 120.64 115.67 1yud n GLU 18 Ca 0.33 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 1yud n GLU 18 Cb 1.22 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.89 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 0.75 2.41 6.61 -1.84 0.00 0.27 -0.79 105.19 112.61 1yud n GLY 19 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 1.49 -1.65 3.06 -0.02 0.00 -1.26 -4.19 105.19 102.62 1yud n GLY 20 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.67 0.24 1.61 0.08 -0.66 -0.96 117.98 118.96 1yud s PHE 21 Ca 0.00 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 1yud s PHE 21 Cb 0.00 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 42.04 1yud s PHE 21 CO 0.00 -0.07 0.44 1.52 -0.10 0.00 0.00 175.22 177.01 1yud s TYR 22 N -1.27 0.46 -0.28 0.36 -0.85 0.15 -0.98 117.35 114.94 1yud s TYR 22 Ca -0.09 -0.81 -0.17 0.00 -0.52 0.00 0.00 57.07 55.48 1yud s TYR 22 Cb -0.09 0.10 0.11 0.00 0.38 0.00 0.00 41.96 42.46 1yud s TYR 22 CO 0.00 -0.96 0.82 0.50 -1.52 0.00 0.00 175.55 174.40 1yud s ARG 23 N -4.01 0.59 -1.10 -3.49 3.00 -1.19 -1.28 118.95 111.45 1yud s ARG 23 Ca 0.24 0.95 -0.23 0.00 -1.00 0.00 0.00 55.73 55.69 1yud s ARG 23 Cb 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 34.95 35.01 1yud s ARG 23 CO 0.10 -0.11 1.96 -1.12 0.00 0.00 0.00 175.30 176.12 1yud s SER 24 N 1.31 4.93 0.04 -2.12 0.01 -1.26 -2.08 113.70 114.52 1yud s SER 24 Ca -0.08 -1.33 -0.09 0.00 1.31 0.00 0.00 55.95 55.76 1yud s SER 24 Cb -0.04 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1yud s SER 24 CO -0.15 -3.13 1.15 0.77 0.41 0.00 0.00 173.24 172.29 1yud h SER 25 N 10.31 -0.54 -5.28 2.44 4.64 -1.82 -3.45 113.55 119.83 1yud h SER 25 Ca 0.17 0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1yud h SER 25 Cb 0.96 0.23 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1yud h SER 25 CO 1.20 -0.10 -0.51 -0.31 -0.87 0.00 0.00 176.83 176.24 1yud s TYR 26 N -3.73 0.51 -0.15 4.77 1.51 -1.23 -5.02 117.35 114.01 1yud s TYR 26 Ca -0.04 -0.94 -0.13 0.00 -1.01 0.00 0.00 57.07 54.96 1yud s TYR 26 Cb 0.03 -0.26 0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1yud s TYR 26 CO 0.17 -0.54 0.40 0.50 -1.11 0.00 0.00 175.55 174.97 1yud s ARG 27 N -3.96 0.45 0.91 -0.62 3.52 -1.26 -1.18 118.95 116.81 1yud s ARG 27 Ca 0.14 0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 1yud s ARG 27 Cb 0.06 0.19 0.08 0.00 -1.56 0.00 0.00 34.95 33.71 1yud s ARG 27 CO -0.04 -0.07 0.77 0.45 -0.81 0.00 0.00 175.30 175.60 1yud n SER 28 N 3.08 -0.79 -0.73 -2.12 2.88 -0.68 -4.96 113.62 110.31 1yud n SER 28 Ca -0.15 0.41 0.07 0.00 -1.33 0.00 0.00 58.87 57.87 1yud n SER 28 Cb 0.57 -1.34 0.20 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.75 2.87 -4.97 -1.46 1.02 -1.26 -4.75 120.64 109.35 1yud n GLU 29 Ca 0.10 -2.43 -0.32 0.00 -0.02 0.00 0.00 57.16 54.48 1yud n GLU 29 Cb 0.52 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.93 2.88 -0.34 2.62 2.01 -1.26 -5.04 115.64 114.58 1yud s THR 30 Ca 0.32 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1yud s THR 30 Cb 0.23 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1yud s THR 30 CO 0.12 0.59 0.16 0.00 -0.69 0.00 0.00 174.62 174.79 1yud s ALA 31 N -0.71 3.22 0.21 7.40 0.00 -1.26 -0.27 121.76 130.34 1yud s ALA 31 Ca 0.11 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 1yud s ALA 31 Cb -0.10 -2.41 0.17 0.00 0.00 0.00 0.00 23.12 20.77 1yud s ALA 31 CO 0.00 -1.14 1.73 0.35 0.00 0.00 0.00 175.76 176.69 1yud h PHE 32 N 8.35 1.13 -3.90 0.00 3.57 -1.73 -3.43 116.94 120.93 1yud h PHE 32 Ca -0.28 -0.14 -0.27 0.00 3.53 0.00 0.00 57.97 60.81 1yud h PHE 32 Cb 1.12 -0.31 -0.19 0.00 2.79 0.00 0.00 35.95 39.35 1yud h PHE 32 CO 0.60 0.93 -0.72 -0.51 -2.23 0.00 0.00 178.31 176.38 1yud s ASP 33 N -6.51 1.02 0.00 0.41 1.01 -1.20 -4.97 116.67 106.44 1yud s ASP 33 Ca -0.11 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1yud s ASP 33 Cb 0.15 0.05 0.00 0.00 1.01 0.00 0.00 42.92 44.13 1yud s ASP 33 CO 0.84 -0.28 0.39 -2.65 0.21 0.00 0.00 175.17 173.68 1yud n PRO 34 N 0.93 0.43 0.00 8.23 -0.02 -1.26 -1.29 135.00 142.03 1yud n PRO 34 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1yud n PRO 34 Cb 0.57 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 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 -0.37 2.02 -4.65 2.55 3.41 -1.26 -5.08 113.62 110.25 1yud n SER 35 Ca 0.00 -0.02 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 1yud n SER 35 Cb 0.02 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.86 2.33 0.33 4.33 3.00 -0.41 -5.04 118.95 122.64 1yud s ARG 36 Ca 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 55.73 54.49 1yud s ARG 36 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 34.95 32.69 1yud s ARG 36 CO 0.00 0.39 0.19 -0.65 0.00 0.00 0.00 175.30 175.23 1yud s GLN 37 N -3.46 2.51 0.51 3.54 -1.52 -1.26 -3.03 119.66 116.95 1yud s GLN 37 Ca 0.30 -1.44 0.16 0.00 -1.95 0.00 0.00 55.36 52.43 1yud s GLN 37 Cb -0.07 -2.29 1.23 0.00 -0.22 0.00 0.00 33.01 31.66 1yud s GLN 37 CO 0.19 0.13 2.12 1.25 -0.25 0.00 0.00 175.29 178.73 1yud h LEU 38 N 1.46 0.00 -7.00 2.90 5.85 -0.83 0.93 115.31 118.61 1yud h LEU 38 Ca -0.44 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.48 1yud h LEU 38 Cb 1.25 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.04 1yud h LEU 38 CO 0.61 0.03 0.81 -1.66 -0.34 0.00 0.00 178.44 177.90 1yud s TRP 39 N -4.98 -0.15 -0.04 1.25 1.48 -0.76 -4.04 118.94 111.70 1yud s TRP 39 Ca -0.05 0.22 0.02 0.00 -1.06 0.00 0.00 56.10 55.23 1yud s TRP 39 Cb 0.17 0.49 0.01 0.00 -1.16 0.00 0.00 33.47 32.98 1yud s TRP 39 CO 0.67 -0.15 -0.07 -1.54 -4.06 0.00 0.00 176.95 171.80 1yud s SER 40 N -1.31 1.15 0.27 -2.66 1.04 -0.34 -1.68 113.70 110.16 1yud s SER 40 Ca 0.06 -0.18 0.12 0.00 0.48 0.00 0.00 55.95 56.44 1yud s SER 40 Cb -0.01 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.60 1yud s SER 40 CO -0.05 0.01 -0.20 -0.55 0.98 0.00 0.00 173.24 173.43 1yud s SER 41 N 0.59 3.57 0.33 7.02 0.15 -0.32 -2.09 113.70 122.94 1yud s SER 41 Ca -0.09 -1.01 -0.09 0.00 0.70 0.00 0.00 55.95 55.45 1yud s SER 41 Cb -0.12 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1yud s SER 41 CO 0.01 0.05 0.58 0.27 1.20 0.00 0.00 173.24 175.35 1yud s ILE 42 N -2.41 0.00 0.10 6.45 -4.36 -0.41 -2.88 121.20 117.69 1yud s ILE 42 Ca 0.29 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.39 1yud s ILE 42 Cb -0.05 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1yud s ILE 42 CO 0.14 0.00 -0.03 -0.31 0.24 0.00 0.00 174.94 174.98 1yud s TYR 43 N -3.06 2.91 -0.08 1.37 2.02 -0.88 -2.36 117.35 117.27 1yud s TYR 43 Ca 0.23 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1yud s TYR 43 Cb -0.02 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1yud s TYR 43 CO 0.15 0.47 0.18 0.12 -1.57 0.00 0.00 175.55 174.89 1yud s PHE 44 N -1.31 -0.22 -0.11 2.71 2.19 -0.19 -3.20 117.98 117.85 1yud s PHE 44 Ca 0.25 0.59 0.01 0.00 0.33 0.00 0.00 56.93 58.11 1yud s PHE 44 Cb -0.11 -0.05 0.02 0.00 -1.31 0.00 0.00 43.02 41.56 1yud s PHE 44 CO 0.17 -0.20 -0.11 -1.17 1.83 0.00 0.00 175.22 175.74 1yud s LEU 45 N 1.29 1.46 -0.21 6.12 0.20 -0.15 0.19 118.68 127.58 1yud s LEU 45 Ca -0.08 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.33 1yud s LEU 45 Cb -0.11 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.70 1yud s LEU 45 CO -0.07 -0.05 0.01 -0.22 -0.29 0.00 0.00 176.35 175.73 1yud s LEU 46 N 1.30 3.32 0.24 -0.68 2.96 0.08 -1.66 118.68 124.24 1yud s LEU 46 Ca -0.02 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1yud s LEU 46 Cb -0.14 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1yud s LEU 46 CO -0.05 0.06 0.27 -0.60 -1.32 0.00 0.00 176.35 174.72 1yud s ARG 47 N 1.04 3.17 0.35 1.98 3.52 -1.26 -1.49 118.95 126.26 1yud s ARG 47 Ca 0.02 -0.91 0.26 0.00 -0.13 0.00 0.00 55.73 54.97 1yud s ARG 47 Cb -0.14 -2.72 1.20 0.00 -1.56 0.00 0.00 34.95 31.73 1yud s ARG 47 CO 0.02 0.42 1.26 2.41 -0.81 0.00 0.00 175.30 178.59 1yud n THR 48 N -1.27 -0.20 -0.09 4.11 -1.04 -1.16 -1.65 114.28 112.98 1yud n THR 48 Ca -0.08 1.45 -0.18 0.00 -2.04 0.00 0.00 64.05 63.20 1yud n THR 48 Cb 0.57 -2.38 -0.11 0.00 -1.82 0.00 0.00 70.33 66.59 1yud n THR 48 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1yud h GLY 49 N 0.00 0.00 -1.08 3.41 0.00 -1.94 -3.49 103.07 99.97 1yud h GLY 49 Ca 0.71 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.54 1yud h GLY 49 CO -0.37 0.00 0.41 -0.54 0.00 0.00 0.00 176.54 176.04 1yud s GLU 50 N -2.29 2.97 -0.05 4.80 2.02 -0.66 -5.11 118.70 120.38 1yud s GLU 50 Ca -0.24 0.51 -0.22 0.00 0.02 0.00 0.00 54.97 55.04 1yud s GLU 50 Cb 0.03 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.27 1yud s GLU 50 CO 0.59 -0.97 0.50 0.14 0.02 0.00 0.00 175.26 175.54 1yud s VAL 51 N -3.33 0.02 -0.29 2.63 -7.23 -1.26 -4.28 120.40 106.66 1yud s VAL 51 Ca 0.58 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.26 1yud s VAL 51 Cb -0.11 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 1yud s VAL 51 CO 0.52 -0.11 1.71 -0.55 -0.31 0.00 0.00 175.10 176.35 1yud s SER 52 N -1.05 6.11 0.07 4.85 0.15 -0.91 -4.51 113.70 118.41 1yud s SER 52 Ca -0.11 1.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.63 1yud s SER 52 Cb -0.03 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1yud s SER 52 CO 0.06 -1.52 1.05 -1.00 1.20 0.00 0.00 173.24 173.03 1yud s HIS 53 N 6.15 3.63 -0.29 3.44 3.76 0.03 -3.06 115.29 128.95 1yud s HIS 53 Ca 0.76 1.61 -0.26 0.00 -0.15 0.00 0.00 55.06 57.01 1yud s HIS 53 Cb -0.23 -3.21 -0.11 0.00 1.11 0.00 0.00 32.58 30.14 1yud s HIS 53 CO 0.32 -0.38 1.15 1.19 -0.85 0.00 0.00 174.74 176.18 1yud n PHE 54 N 3.36 0.78 -4.18 1.40 0.99 -0.39 -4.81 117.46 114.61 1yud n PHE 54 Ca 0.05 0.51 -0.16 0.00 -0.00 0.00 0.00 57.45 57.85 1yud n PHE 54 Cb 0.49 -1.32 -0.07 0.00 -1.00 0.00 0.00 39.48 37.58 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 2.97 1.34 -0.20 1.38 -3.43 -0.45 -3.73 115.29 113.17 1yud s HIS 55 Ca 0.67 -1.44 -0.19 0.00 -0.80 0.00 0.00 55.06 53.31 1yud s HIS 55 Cb -0.87 -0.40 0.05 0.00 -1.43 0.00 0.00 32.58 29.93 1yud s HIS 55 CO 0.41 -0.96 0.54 0.50 -2.00 0.00 0.00 174.74 173.23 1yud s ARG 56 N -3.39 0.63 0.50 -0.38 3.00 -0.87 -1.03 118.95 117.41 1yud s ARG 56 Ca 0.36 0.75 0.05 0.00 -1.00 0.00 0.00 55.73 55.89 1yud s ARG 56 Cb 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 34.95 35.27 1yud s ARG 56 CO 0.22 -0.08 0.24 -0.51 0.00 0.00 0.00 175.30 175.18 1yud s LEU 57 N 0.30 2.74 0.44 -0.88 2.01 -1.26 -2.05 118.68 119.98 1yud s LEU 57 Ca -0.00 -1.28 0.24 0.00 0.01 0.00 0.00 54.13 53.09 1yud s LEU 57 Cb -0.04 -1.17 0.42 0.00 0.01 0.00 0.00 46.19 45.41 1yud s LEU 57 CO 0.01 -0.88 1.64 0.74 1.01 0.00 0.00 176.35 178.87 1yud h THR 58 N 1.09 0.04 -3.55 5.49 2.02 -1.91 -3.23 112.91 112.85 1yud h THR 58 Ca -0.40 -1.01 -0.49 0.00 0.77 0.00 0.00 66.41 65.28 1yud h THR 58 Cb 1.29 1.97 -0.13 0.00 -1.74 0.00 0.00 68.15 69.54 1yud h THR 58 CO 0.65 0.02 -0.53 0.00 0.37 0.00 0.00 175.52 176.03 1yud s ALA 59 N -3.24 2.35 0.62 6.16 0.00 -1.26 -4.88 121.76 121.51 1yud s ALA 59 Ca 0.06 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.24 1yud s ALA 59 Cb 0.05 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 1yud s ALA 59 CO 0.66 -0.46 1.15 -0.51 0.00 0.00 0.00 175.76 176.60 1yud s ASP 60 N -3.47 5.18 0.25 0.00 -0.00 -1.26 -3.80 116.67 113.57 1yud s ASP 60 Ca 0.32 2.19 0.05 0.00 -0.00 0.00 0.00 52.55 55.10 1yud s ASP 60 Cb 0.04 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.36 1yud s ASP 60 CO 0.18 -1.59 0.17 1.21 -0.00 0.00 0.00 175.17 175.15 1yud n GLU 61 N -1.94 0.40 -3.25 8.23 2.13 -0.72 -4.26 120.64 121.23 1yud n GLU 61 Ca 0.12 -2.38 0.03 0.00 0.66 0.00 0.00 57.16 55.59 1yud n GLU 61 Cb 0.51 1.77 -0.03 0.00 0.27 0.00 0.00 31.44 33.96 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 -2.87 -0.47 -0.18 4.31 0.52 -0.60 -2.55 118.94 117.10 1yud s TRP 63 Ca 0.24 0.68 -0.03 0.00 0.02 0.00 0.00 56.10 57.02 1yud s TRP 63 Cb 0.01 0.23 -0.01 0.00 -1.15 0.00 0.00 33.47 32.55 1yud s TRP 63 CO 0.17 -0.24 -0.06 0.71 0.02 0.00 0.00 176.95 177.55 1yud s TYR 64 N 2.53 2.94 0.29 -1.98 2.02 -0.58 -2.18 117.35 120.38 1yud s TYR 64 Ca -0.01 -0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 55.68 1yud s TYR 64 Cb -0.06 -2.01 -0.10 0.00 -0.40 0.00 0.00 41.96 39.39 1yud s TYR 64 CO -0.15 -0.34 1.22 0.12 -1.57 0.00 0.00 175.55 174.83 1yud s PHE 65 N 0.95 3.29 0.01 2.71 5.36 0.13 -0.36 117.98 130.07 1yud s PHE 65 Ca -0.01 1.50 -0.04 0.00 -0.96 0.00 0.00 56.93 57.42 1yud s PHE 65 Cb -0.15 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.01 1yud s PHE 65 CO 0.00 -1.34 -0.09 0.72 -1.46 0.00 0.00 175.22 173.06 1yud n HIS 66 N 1.28 0.00 -3.60 10.12 8.25 -0.87 -4.86 115.22 125.54 1yud n HIS 66 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1yud n HIS 66 Cb 0.43 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.21 -2.07 0.00 -1.41 0.00 -0.90 -5.01 121.76 110.17 1yud s ALA 67 Ca -0.08 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1yud s ALA 67 Cb 0.02 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1yud s ALA 67 CO 0.11 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1yud n GLY 68 N -0.24 0.48 2.08 0.00 0.00 -1.26 -0.11 105.19 106.15 1yud n GLY 68 Ca -0.03 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 1yud n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yud n GLN 69 N 0.66 0.00 -1.71 1.61 3.00 -1.04 -4.79 117.38 115.12 1yud n GLN 69 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1yud n GLN 69 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 30.24 29.57 1yud n GLN 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1yud n SER 70 N 1.14 2.70 -1.07 1.08 7.64 -1.26 -4.71 113.62 119.14 1yud n SER 70 Ca 0.11 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1yud n SER 70 Cb 0.13 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1yud n SER 70 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yud n LEU 71 N 0.40 0.00 -3.51 -3.43 4.77 -0.53 -1.00 117.00 113.70 1yud n LEU 71 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1yud n LEU 71 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1yud n LEU 71 CO 0.60 -0.18 0.31 -0.89 -1.33 0.00 0.00 177.39 175.91 1yud s THR 72 N 1.27 -0.90 -0.26 -5.08 2.01 -1.21 -3.55 115.64 107.92 1yud s THR 72 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1yud s THR 72 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1yud s THR 72 CO 0.00 0.00 0.64 -0.63 -0.69 0.00 0.00 174.62 173.94 1yud s ILE 73 N 2.82 4.97 0.28 1.82 1.09 0.58 -2.93 121.20 129.83 1yud s ILE 73 Ca -0.01 1.12 0.06 0.00 -1.10 0.00 0.00 60.65 60.72 1yud s ILE 73 Cb -0.11 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.31 1yud s ILE 73 CO -0.19 -0.00 0.37 -0.31 -0.10 0.00 0.00 174.94 174.71 1yud s TYR 74 N 2.54 3.23 -0.30 3.97 1.51 0.52 -1.21 117.35 127.61 1yud s TYR 74 Ca 0.27 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 56.05 1yud s TYR 74 Cb -0.15 -1.72 0.18 0.00 -0.11 0.00 0.00 41.96 40.16 1yud s TYR 74 CO 0.09 0.27 1.13 0.42 -1.11 0.00 0.00 175.55 176.35 1yud s ILE 76 N -2.10 -0.17 1.05 2.71 1.01 -0.94 -2.03 121.20 120.73 1yud s ILE 76 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1yud s ILE 76 Cb -0.09 -0.63 0.09 0.00 0.01 0.00 0.00 42.46 41.84 1yud s ILE 76 CO 0.29 0.00 0.29 -1.54 0.00 0.00 0.00 174.94 173.98 1yud n SER 77 N 5.30 -2.10 0.00 3.58 3.41 -0.78 -2.78 113.62 120.25 1yud n SER 77 Ca -0.00 0.08 0.01 0.00 -0.26 0.00 0.00 58.87 58.70 1yud n SER 77 Cb 0.56 -1.10 0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1yud n SER 77 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1yud n PRO 78 N -2.23 0.03 -0.10 4.33 -0.04 -1.26 -2.35 135.00 133.38 1yud n PRO 78 Ca 0.04 0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1yud n PRO 78 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.24 0.54 0.00 0.54 4.71 -1.26 -5.04 120.64 118.89 1yud n GLU 79 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1yud n GLU 79 Cb 0.01 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 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 1.41 0.00 3.74 0.62 0.00 -0.99 -4.87 105.19 105.09 1yud n GLY 80 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 2.93 0.64 1.61 2.12 -1.26 -4.85 118.70 119.89 1yud s GLU 81 Ca 0.00 -0.55 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1yud s GLU 81 Cb 0.00 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1yud s GLU 81 CO 0.00 0.63 1.04 -1.17 -0.54 0.00 0.00 175.26 175.22 1yud s LEU 82 N -1.71 3.18 -0.48 2.70 2.96 -1.26 -1.86 118.68 122.22 1yud s LEU 82 Ca 0.22 1.44 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 1yud s LEU 82 Cb -0.12 -4.44 0.23 0.00 0.50 0.00 0.00 46.19 42.36 1yud s LEU 82 CO 0.13 -1.03 0.78 0.41 -1.32 0.00 0.00 176.35 175.32 1yud n THR 83 N -2.85 -0.16 -1.76 3.68 -1.04 -1.26 -4.93 114.28 105.95 1yud n THR 83 Ca 0.06 -1.88 -0.19 0.00 -2.04 0.00 0.00 64.05 60.01 1yud n THR 83 Cb 0.54 0.73 -0.09 0.00 -1.82 0.00 0.00 70.33 69.69 1yud n THR 83 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1yud s THR 84 N 0.42 3.20 0.45 12.58 -1.32 -1.26 -4.48 115.64 125.22 1yud s THR 84 Ca 0.32 -0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 1yud s THR 84 Cb 0.17 -4.13 -0.07 0.00 -1.51 0.00 0.00 72.50 66.96 1yud s THR 84 CO -0.19 -0.37 0.85 0.00 -2.21 0.00 0.00 174.62 172.70 1yud s ALA 85 N 14.92 3.24 -0.08 11.08 0.00 -0.35 -4.90 121.76 145.68 1yud s ALA 85 Ca 0.78 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1yud s ALA 85 Cb -0.04 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.23 1yud s ALA 85 CO 0.16 -0.09 -0.11 -0.65 0.00 0.00 0.00 175.76 175.07 1yud s GLN 86 N -3.92 1.64 -0.28 0.00 -1.52 -1.26 -0.31 119.66 114.01 1yud s GLN 86 Ca 0.54 -0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 53.56 1yud s GLN 86 Cb -0.10 -1.46 0.03 0.00 -0.22 0.00 0.00 33.01 31.27 1yud s GLN 86 CO 0.31 -0.07 -0.00 -1.17 -0.25 0.00 0.00 175.29 174.12 1yud s LEU 87 N 0.98 3.67 0.00 2.90 2.96 -1.23 -3.34 118.68 124.62 1yud s LEU 87 Ca -0.09 -1.03 -0.26 0.00 -0.22 0.00 0.00 54.13 52.54 1yud s LEU 87 Cb -0.15 -1.74 0.08 0.00 0.50 0.00 0.00 46.19 44.89 1yud s LEU 87 CO -0.00 -0.21 1.16 0.61 -1.32 0.00 0.00 176.35 176.60 1yud n GLY 88 N 4.70 0.18 1.81 7.98 0.00 -1.23 -1.45 105.19 117.18 1yud n GLY 88 Ca -0.14 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 5.44 -4.63 0.99 4.77 -1.26 -2.73 117.00 119.57 1yud n LEU 89 Ca 0.05 -2.83 -0.35 0.00 -0.03 0.00 0.00 56.01 52.85 1yud n LEU 89 Cb 0.50 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1yud n LEU 89 CO 0.12 0.75 -0.31 -0.62 -1.33 0.00 0.00 177.39 176.01 1yud s ASP 90 N -0.73 5.22 -0.01 -1.43 2.15 -1.20 -4.98 116.67 115.68 1yud s ASP 90 Ca 0.45 0.07 0.12 0.00 0.43 0.00 0.00 52.55 53.61 1yud s ASP 90 Cb 0.36 -1.66 -0.18 0.00 -0.30 0.00 0.00 42.92 41.15 1yud s ASP 90 CO 0.11 0.29 0.27 0.18 -0.17 0.00 0.00 175.17 175.85 1yud n LEU 91 N 2.76 0.04 -0.16 -1.34 4.77 -1.26 -2.21 117.00 119.59 1yud n LEU 91 Ca -0.18 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.74 1yud n LEU 91 Cb 0.53 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 1yud n LEU 91 CO 0.31 0.01 0.95 0.00 -1.33 0.00 0.00 177.39 177.33 1yud h ALA 92 N 1.11 0.61 -1.16 -1.18 0.00 -1.94 -3.42 119.26 113.29 1yud h ALA 92 Ca 0.00 0.08 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 1yud h ALA 92 Cb 0.51 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1yud h ALA 92 CO 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.69 1yud s ALA 93 N -6.13 4.27 -0.60 0.00 0.00 -1.26 -5.00 121.76 113.05 1yud s ALA 93 Ca -0.13 -1.75 -0.06 0.00 0.00 0.00 0.00 51.96 50.03 1yud s ALA 93 Cb 0.15 -1.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.14 1yud s ALA 93 CO 0.73 -0.37 2.50 0.41 0.00 0.00 0.00 175.76 179.02 1yud n GLY 94 N -1.71 2.94 3.26 0.00 0.00 -1.26 -4.79 105.19 103.63 1yud n GLY 94 Ca 0.04 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 2.38 3.53 0.04 1.61 2.02 -0.94 -4.19 118.70 123.15 1yud s GLU 95 Ca 0.47 -2.80 -0.22 0.00 0.02 0.00 0.00 54.97 52.44 1yud s GLU 95 Cb 0.17 -4.27 -0.06 0.00 0.10 0.00 0.00 34.13 30.07 1yud s GLU 95 CO -0.02 -1.25 0.66 1.03 0.02 0.00 0.00 175.26 175.69 1yud s ARG 96 N -0.48 4.38 0.42 1.61 3.00 -1.21 -3.28 118.95 123.40 1yud s ARG 96 Ca 0.22 0.88 0.16 0.00 0.00 0.00 0.00 55.73 56.99 1yud s ARG 96 Cb -0.11 -3.32 0.87 0.00 0.00 0.00 0.00 34.95 32.38 1yud s ARG 96 CO -0.08 0.41 1.41 -1.35 0.00 0.00 0.00 175.30 175.68 1yud h PRO 97 N 5.33 0.00 -4.82 3.54 0.11 -1.85 -3.25 132.00 131.06 1yud h PRO 97 Ca -0.46 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.29 1yud h PRO 97 Cb 1.20 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 1yud h PRO 97 CO 0.69 0.00 -0.58 -0.65 -0.21 0.00 0.00 178.00 177.24 1yud s GLN 98 N -3.52 1.47 -0.13 1.05 -0.21 -1.26 0.18 119.66 117.23 1yud s GLN 98 Ca -0.02 -1.81 -0.34 0.00 0.02 0.00 0.00 55.36 53.21 1yud s GLN 98 Cb 0.05 -0.05 0.14 0.00 1.00 0.00 0.00 33.01 34.14 1yud s GLN 98 CO 0.15 -0.40 1.32 0.12 -2.12 0.00 0.00 175.29 174.36 1yud s PHE 99 N -3.76 -0.05 -0.04 0.91 5.36 -0.93 -4.96 117.98 114.52 1yud s PHE 99 Ca 0.37 -0.00 0.01 0.00 -0.96 0.00 0.00 56.93 56.35 1yud s PHE 99 Cb 0.06 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.28 1yud s PHE 99 CO 0.16 -0.15 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.56 1yud s LEU 100 N -2.60 1.34 -0.29 6.12 2.96 -1.26 -1.56 118.68 123.38 1yud s LEU 100 Ca 0.13 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 1yud s LEU 100 Cb 0.03 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.34 1yud s LEU 100 CO -0.04 -0.06 0.06 0.54 -1.32 0.00 0.00 176.35 175.53 1yud s VAL 101 N 0.87 3.81 0.53 1.68 0.11 -1.06 -5.00 120.40 121.34 1yud s VAL 101 Ca -0.11 -0.73 -0.17 0.00 -2.93 0.00 0.00 61.98 58.04 1yud s VAL 101 Cb -0.14 -2.96 -0.07 0.00 -1.53 0.00 0.00 36.38 31.69 1yud s VAL 101 CO -0.00 0.11 1.01 -2.16 -3.33 0.00 0.00 175.10 170.73 1yud s PRO 102 N 1.48 3.75 1.28 1.54 0.04 -1.26 -1.75 135.00 140.08 1yud s PRO 102 Ca 0.02 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1yud s PRO 102 Cb -0.17 -2.10 0.29 0.00 0.04 0.00 0.00 34.50 32.56 1yud s PRO 102 CO 0.01 -0.44 0.67 0.36 0.04 0.00 0.00 177.00 177.64 1yud n LYS 103 N -1.60 -3.53 0.00 4.56 2.85 -1.25 -3.59 118.16 115.60 1yud n LYS 103 Ca 0.08 -1.04 0.00 0.00 -1.05 0.00 0.00 58.31 56.30 1yud n LYS 103 Cb 0.53 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 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 1.92 1.24 3.76 2.58 0.00 -1.22 -4.93 105.19 108.54 1yud n GLY 104 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.23 4.32 0.35 0.00 1.01 -1.12 -4.58 121.20 120.96 1yud s ILE 106 Ca 0.31 1.23 0.03 0.00 0.00 0.00 0.00 60.65 62.22 1yud s ILE 106 Cb -0.18 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 1yud s ILE 106 CO 0.17 -0.87 0.11 0.72 0.00 0.00 0.00 174.94 175.07 1yud s PHE 107 N 4.15 1.79 0.08 3.97 -0.71 -0.20 -2.21 117.98 124.84 1yud s PHE 107 Ca 0.45 -1.17 -0.26 0.00 -1.04 0.00 0.00 56.93 54.90 1yud s PHE 107 Cb -0.09 -1.13 0.09 0.00 -1.21 0.00 0.00 43.02 40.69 1yud s PHE 107 CO 0.27 -0.23 1.16 0.20 -1.34 0.00 0.00 175.22 175.28 1yud s GLY 108 N -3.50 -0.14 0.24 1.99 0.00 -0.86 -1.34 107.32 103.71 1yud s GLY 108 Ca 0.31 0.10 -0.05 0.00 0.00 0.00 0.00 44.72 45.08 1yud s GLY 108 CO 0.15 2.31 0.31 -0.45 0.00 0.00 0.00 173.10 175.42 1yud s SER 109 N -3.33 0.25 0.00 1.64 0.15 -1.17 -0.35 113.70 110.88 1yud s SER 109 Ca 0.20 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1yud s SER 109 Cb 0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1yud s SER 109 CO 0.01 -1.02 0.00 0.00 1.20 0.00 0.00 173.24 173.43 1yud n ALA 110 N -0.37 0.00 -0.04 5.45 0.00 -1.15 -2.14 120.51 122.26 1yud n ALA 110 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1yud n ALA 110 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 0.76 -4.79 0.00 5.03 -0.17 -3.30 115.26 112.79 1yud n ASN 112 Ca 0.00 0.13 -0.30 0.00 0.87 0.00 0.00 54.58 55.28 1yud n ASN 112 Cb 0.00 -0.30 -0.06 0.00 -1.02 0.00 0.00 39.78 38.40 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 -2.19 2.20 0.00 3.52 1.11 -1.26 -5.11 119.66 117.93 1yud s GLN 113 Ca -0.13 -2.20 0.00 0.00 0.01 0.00 0.00 55.36 53.04 1yud s GLN 113 Cb 0.05 -1.76 0.00 0.00 -1.01 0.00 0.00 33.01 30.28 1yud s GLN 113 CO 0.16 -0.39 0.00 -0.25 0.01 0.00 0.00 175.29 174.83 1yud n ASP 114 N -1.39 0.00 0.00 5.90 8.00 -1.26 -4.86 116.55 122.93 1yud n ASP 114 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1yud n ASP 114 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 1.99 0.90 3.12 0.44 0.00 -1.26 -4.72 105.19 105.66 1yud n GLY 115 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 0.26 -0.08 1.61 -0.71 -1.26 -2.99 117.98 114.81 1yud s PHE 116 Ca 0.00 -0.64 -0.03 0.00 -1.04 0.00 0.00 56.93 55.23 1yud s PHE 116 Cb 0.00 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1yud s PHE 116 CO 0.00 -0.38 0.09 0.45 -1.34 0.00 0.00 175.22 174.04 1yud s SER 117 N -2.36 1.26 -0.17 1.98 0.15 -0.56 -2.51 113.70 111.49 1yud s SER 117 Ca -0.02 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 1yud s SER 117 Cb 0.01 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1yud s SER 117 CO -0.06 -0.27 -0.08 -0.22 1.20 0.00 0.00 173.24 173.80 1yud s LEU 118 N 2.20 2.84 0.22 3.45 2.96 0.85 -0.74 118.68 130.46 1yud s LEU 118 Ca 0.04 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1yud s LEU 118 Cb -0.13 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1yud s LEU 118 CO -0.05 0.09 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.32 1yud s VAL 119 N 0.83 1.32 -0.02 1.68 1.01 0.13 -2.05 120.40 123.30 1yud s VAL 119 Ca -0.03 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 59.90 1yud s VAL 119 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1yud s VAL 119 CO 0.01 -0.43 -0.10 -0.83 0.00 0.00 0.00 175.10 173.74 1yud s GLY 120 N -3.32 1.66 0.27 4.51 0.00 0.52 -1.02 107.32 109.94 1yud s GLY 120 Ca 0.26 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1yud s GLY 120 CO 0.08 -0.84 0.16 0.00 0.00 0.00 0.00 173.10 172.50 1yud s VAL 123 N -3.75 -0.31 0.02 0.00 -7.23 -0.89 -1.28 120.40 106.96 1yud s VAL 123 Ca 0.38 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.27 1yud s VAL 123 Cb 0.05 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.83 1yud s VAL 123 CO 0.17 0.00 1.26 -1.28 -0.31 0.00 0.00 175.10 174.94 1yud h SER 124 N 7.23 -0.61 -1.44 4.85 0.87 -1.77 -0.90 113.55 121.79 1yud h SER 124 Ca -0.15 -0.06 -0.39 0.00 -1.23 0.00 0.00 61.79 59.96 1yud h SER 124 Cb 1.12 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1yud h SER 124 CO 0.08 -0.26 1.19 -2.84 -0.53 0.00 0.00 176.83 174.47 1yud s PRO 125 N -4.93 2.25 0.00 2.24 0.02 -1.26 -1.83 135.00 131.49 1yud s PRO 125 Ca -0.15 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.66 1yud s PRO 125 Cb 0.02 -4.61 0.00 0.00 0.02 0.00 0.00 34.50 29.93 1yud s PRO 125 CO 0.51 -3.29 0.00 0.41 -0.33 0.00 0.00 177.00 174.30 1yud n GLY 126 N 6.13 0.00 3.69 0.52 0.00 0.32 -4.82 105.19 111.03 1yud n GLY 126 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 3.46 0.08 1.61 5.36 -1.26 -4.72 117.98 122.51 1yud s PHE 127 Ca 0.00 1.06 -0.01 0.00 -0.96 0.00 0.00 56.93 57.02 1yud s PHE 127 Cb 0.00 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.85 1yud s PHE 127 CO 0.00 -0.05 -0.01 0.95 -1.46 0.00 0.00 175.22 174.65 1yud s THR 128 N 1.41 0.28 -0.92 0.12 -4.23 -1.26 -5.00 115.64 106.04 1yud s THR 128 Ca 0.32 -1.86 0.20 0.00 -1.18 0.00 0.00 61.69 59.17 1yud s THR 128 Cb -0.16 -1.70 0.18 0.00 1.34 0.00 0.00 72.50 72.15 1yud s THR 128 CO 0.13 -0.82 1.64 0.49 -0.54 0.00 0.00 174.62 175.52 1yud n PHE 129 N 0.02 0.16 -0.16 3.99 3.72 -1.26 -2.24 117.46 121.68 1yud n PHE 129 Ca -0.11 0.06 -0.10 0.00 -0.05 0.00 0.00 57.45 57.24 1yud n PHE 129 Cb 0.62 -0.59 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.99 -0.44 4.37 5.19 -1.99 -2.72 116.42 121.82 1yud h ASP 130 Ca 0.00 -0.35 -0.30 0.00 -0.62 0.00 0.00 57.03 55.76 1yud h ASP 130 Cb 0.36 -0.27 -0.13 0.00 0.18 0.00 0.00 39.33 39.47 1yud h ASP 130 CO 0.00 1.13 0.38 0.47 -3.12 0.00 0.00 179.24 178.11 1yud n ASP 131 N -4.13 6.33 -3.84 6.45 8.00 -0.95 -4.82 116.55 123.59 1yud n ASP 131 Ca 0.01 -3.01 -0.12 0.00 0.71 0.00 0.00 54.79 52.38 1yud n ASP 131 Cb 0.43 -1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 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 -1.67 -0.09 -0.04 1.24 5.36 -1.03 -2.83 117.98 118.91 1yud s PHE 132 Ca 0.28 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 1yud s PHE 132 Cb 0.22 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 1yud s PHE 132 CO -0.00 -0.12 0.08 -1.21 -1.46 0.00 0.00 175.22 172.51 1yud s GLU 133 N -0.27 0.02 -0.27 10.12 2.02 -0.87 -5.00 118.70 124.45 1yud s GLU 133 Ca -0.03 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.27 1yud s GLU 133 Cb -0.03 -0.23 0.07 0.00 0.10 0.00 0.00 34.13 34.04 1yud s GLU 133 CO 0.00 -0.18 -0.09 -1.17 0.02 0.00 0.00 175.26 173.85 1yud s LEU 134 N 1.18 3.63 0.32 1.80 2.96 -1.26 -2.04 118.68 125.27 1yud s LEU 134 Ca -0.08 -1.50 -0.02 0.00 -0.22 0.00 0.00 54.13 52.30 1yud s LEU 134 Cb -0.12 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1yud s LEU 134 CO -0.04 -0.22 0.55 -0.36 -1.32 0.00 0.00 176.35 174.96 1yud s PHE 135 N 1.07 3.49 0.60 5.38 2.99 -1.24 -5.08 117.98 125.19 1yud s PHE 135 Ca -0.06 0.50 0.02 0.00 0.00 0.00 0.00 56.93 57.39 1yud s PHE 135 Cb -0.20 -2.00 0.07 0.00 0.00 0.00 0.00 43.02 40.88 1yud s PHE 135 CO -0.05 0.14 0.83 0.45 -0.00 0.00 0.00 175.22 176.59 1yud s SER 136 N -3.59 4.99 0.33 1.36 0.15 -1.26 -4.84 113.70 110.84 1yud s SER 136 Ca 0.42 -0.25 0.26 0.00 0.70 0.00 0.00 55.95 57.08 1yud s SER 136 Cb -0.10 -0.45 1.10 0.00 -1.71 0.00 0.00 66.02 64.85 1yud s SER 136 CO 0.33 -1.37 1.78 -0.61 1.20 0.00 0.00 173.24 174.57 1yud h GLN 137 N -0.07 0.00 0.00 5.44 4.15 -1.75 -1.87 115.11 121.01 1yud h GLN 137 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1yud h GLN 137 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1yud h GLN 137 CO 0.47 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.76 1yud n GLU 138 N -2.43 0.00 -0.27 1.69 1.02 -1.26 -3.55 120.64 115.85 1yud n GLU 138 Ca 0.01 0.28 0.06 0.00 -0.02 0.00 0.00 57.16 57.50 1yud n GLU 138 Cb 0.23 -1.09 0.20 0.00 -0.02 0.00 0.00 31.44 30.76 1yud n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yud h ALA 139 N -2.00 1.11 -0.15 0.62 0.00 -1.95 -1.99 119.26 114.91 1yud h ALA 139 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 1yud h ALA 139 Cb 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1yud h ALA 139 CO 0.00 -0.21 0.23 -0.11 0.00 0.00 0.00 179.25 179.16 1yud n LEU 140 N -5.00 5.91 0.00 0.00 0.00 -0.71 -2.04 117.00 115.17 1yud n LEU 140 Ca 0.15 -3.54 0.00 0.00 0.00 0.00 0.00 56.01 52.62 1yud n LEU 140 Cb 0.44 -1.39 0.00 0.00 0.00 0.00 0.00 43.42 42.47 1yud n LEU 140 CO 0.18 1.75 0.00 -0.11 0.00 0.00 0.00 177.39 179.21 1yud n LEU 141 N 2.18 0.00 -0.59 -1.96 7.94 -0.77 -4.83 117.00 118.96 1yud n LEU 141 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1yud n LEU 141 Cb 0.76 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.71 1yud n LEU 141 CO 0.25 0.00 0.26 0.00 -1.11 0.00 0.00 177.39 176.79 1yud n ALA 142 N -0.68 2.32 -1.90 1.96 0.00 -0.86 -3.93 120.51 117.42 1yud n ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yud n ALA 142 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.16 0.00 0.31 0.00 4.01 -1.26 -5.12 117.16 115.26 1yud n TYR 144 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1yud n TYR 144 Cb 0.26 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.86 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 1.23 0.00 0.00 -0.72 0.11 -1.91 -3.17 132.00 127.54 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 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yud h PRO 145 CO 0.00 0.00 -0.13 -0.56 -0.21 0.00 0.00 178.00 177.10 1yud h GLN 146 N 0.00 0.00 -0.73 1.05 -0.00 -1.97 -2.81 115.11 110.65 1yud h GLN 146 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1yud h GLN 146 Cb 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.95 1yud h GLN 146 CO 0.00 0.13 0.17 0.72 -0.00 0.00 0.00 178.83 179.85 1yud n HIS 147 N -3.57 2.13 0.08 0.06 8.25 -1.20 -4.51 115.22 116.47 1yud n HIS 147 Ca -0.01 -0.95 0.19 0.00 -0.26 0.00 0.00 57.72 56.68 1yud n HIS 147 Cb 0.27 -0.59 0.73 0.00 1.12 0.00 0.00 29.99 31.52 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 2.84 0.00 0.00 -0.41 3.64 -1.70 0.22 116.57 121.15 1yud h LYS 148 Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1yud h LYS 148 Cb 2.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1yud h LYS 148 CO 0.60 0.00 -0.09 0.00 -2.27 0.00 0.00 179.45 177.69 1yud h ALA 149 N 1.72 1.26 0.00 5.00 0.00 -1.87 -2.92 119.26 122.45 1yud h ALA 149 Ca 0.18 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1yud h ALA 149 Cb 0.83 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1yud h ALA 149 CO -0.00 0.12 -1.81 1.55 0.00 0.00 0.00 179.25 179.10 1yud n VAL 150 N -3.58 0.64 -0.01 0.00 3.14 0.54 -4.47 118.33 114.59 1yud n VAL 150 Ca -0.02 -0.48 0.06 0.00 -2.96 0.00 0.00 64.34 60.94 1yud n VAL 150 Cb 0.22 -0.42 0.45 0.00 -1.06 0.00 0.00 33.84 33.03 1yud n VAL 150 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1yud h VAL 151 N 0.00 1.05 0.13 1.55 2.07 -0.84 -2.98 116.25 117.23 1yud h VAL 151 Ca -0.25 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1yud h VAL 151 Cb 1.47 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1yud h VAL 151 CO 0.01 0.09 -0.40 1.56 0.02 0.00 0.00 177.57 178.86 1yud h GLN 152 N 0.49 -0.57 0.84 1.57 4.20 -1.74 -2.76 115.11 117.15 1yud h GLN 152 Ca 0.18 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1yud h GLN 152 Cb 0.09 0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1yud h GLN 152 CO -0.04 -0.38 -0.40 0.87 -0.67 0.00 0.00 178.83 178.20 1yud h LYS 153 N -0.59 -1.09 -2.01 1.46 6.56 -1.81 -3.23 116.57 115.85 1yud h LYS 153 Ca -0.01 0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1yud h LYS 153 Cb 0.58 0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1yud h LYS 153 CO -0.19 -0.72 -0.05 1.28 -2.06 0.00 0.00 179.45 177.71 1yud n LEU 154 N -5.54 4.91 -3.60 2.94 4.77 -1.13 -4.79 117.00 114.56 1yud n LEU 154 Ca -0.15 -2.33 -0.06 0.00 -0.03 0.00 0.00 56.01 53.44 1yud n LEU 154 Cb 0.45 -1.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1yud n LEU 154 CO 0.36 1.02 0.95 -0.55 -1.33 0.00 0.00 177.39 177.84 1yud s SER 155 N 2.01 -0.21 0.05 -1.43 0.15 -1.04 -1.26 113.70 111.97 1yud s SER 155 Ca 0.09 0.21 0.08 0.00 0.70 0.00 0.00 55.95 57.03 1yud s SER 155 Cb 0.04 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1yud s SER 155 CO 0.00 -0.21 -0.19 -0.13 1.20 0.00 0.00 173.24 173.90 1yud s ARG 156 N -1.24 2.00 0.64 5.44 0.52 -1.26 -4.78 118.95 120.26 1yud s ARG 156 Ca 0.04 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 1yud s ARG 156 Cb -0.01 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1yud s ARG 156 CO -0.03 0.53 1.14 -1.25 0.02 0.00 0.00 175.30 175.70 1yud s PRO 157 N -1.49 2.85 0.00 3.54 0.04 -1.26 -2.13 135.00 136.55 1yud s PRO 157 Ca 0.14 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1yud s PRO 157 Cb -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1yud s PRO 157 CO 0.05 -1.24 0.00 -1.91 0.04 0.00 0.00 177.00 173.95