#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 3.39 0.49 1.69 2.47 -1.26 -5.03 114.94 116.70 1yud s ASN 3 Ca 0.00 -1.06 0.25 0.00 0.42 0.00 0.00 52.86 52.47 1yud s ASN 3 Cb 0.00 -0.27 1.39 0.00 -1.45 0.00 0.00 41.25 40.91 1yud s ASN 3 CO 0.00 -0.06 1.75 0.00 -3.72 0.00 0.00 177.10 175.07 1yud h ALA 4 N 2.28 1.17 0.00 1.71 0.00 -1.96 0.12 119.26 122.59 1yud h ALA 4 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1yud h ALA 4 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yud h ALA 4 CO 0.62 -0.17 -0.82 -0.44 0.00 0.00 0.00 179.25 178.44 1yud h ASP 5 N 0.00 0.00 0.02 0.00 3.32 -1.99 -3.23 116.42 114.54 1yud h ASP 5 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1yud h ASP 5 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1yud h ASP 5 CO 0.00 0.05 -0.01 0.44 -1.72 0.00 0.00 179.24 178.00 1yud h ASP 6 N 0.00 -0.02 0.22 6.45 5.19 -1.17 -2.51 116.42 124.59 1yud h ASP 6 Ca 0.00 -0.70 0.01 0.00 -0.62 0.00 0.00 57.03 55.72 1yud h ASP 6 Cb 0.89 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 1yud h ASP 6 CO 0.00 0.71 -0.27 -0.26 -3.12 0.00 0.00 179.24 176.31 1yud h PHE 7 N -0.78 -0.71 -0.49 4.55 -1.00 -1.69 1.08 116.94 117.90 1yud h PHE 7 Ca -0.00 0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.90 1yud h PHE 7 Cb 0.72 0.28 -0.02 0.00 3.61 0.00 0.00 35.95 40.54 1yud h PHE 7 CO 0.18 -0.38 0.34 0.97 -1.61 0.00 0.00 178.31 177.81 1yud h ILE 8 N -0.54 0.81 0.02 -0.55 2.10 -1.67 0.95 117.51 118.64 1yud h ILE 8 Ca 0.00 -0.04 -0.14 0.00 1.08 0.00 0.00 64.86 65.76 1yud h ILE 8 Cb 0.52 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1yud h ILE 8 CO -0.09 0.02 -0.76 0.50 -1.08 0.00 0.00 178.15 176.75 1yud h LYS 9 N 0.13 0.04 -0.31 2.19 3.64 -0.83 0.36 116.57 121.79 1yud h LYS 9 Ca 0.23 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1yud h LYS 9 Cb 0.75 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1yud h LYS 9 CO -0.03 1.03 -0.24 0.74 -2.27 0.00 0.00 179.45 178.69 1yud h PHE 10 N -0.89 0.68 -0.01 1.91 0.04 0.15 -2.74 116.94 116.08 1yud h PHE 10 Ca -0.20 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1yud h PHE 10 Cb 1.25 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1yud h PHE 10 CO 0.18 0.79 -0.42 1.28 -0.60 0.00 0.00 178.31 179.54 1yud n LEU 11 N -4.12 0.94 -3.56 1.54 4.77 0.33 -4.97 117.00 111.93 1yud n LEU 11 Ca -0.00 -0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.55 1yud n LEU 11 Cb 0.42 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1yud n LEU 11 CO 0.43 0.19 0.04 -0.62 -1.33 0.00 0.00 177.39 176.10 1yud n GLU 12 N -0.94 -5.94 -2.67 3.23 1.02 -0.60 -4.94 120.64 109.80 1yud n GLU 12 Ca 0.09 0.75 -0.40 0.00 -0.02 0.00 0.00 57.16 57.58 1yud n GLU 12 Cb 0.35 -5.57 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 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 -6.55 4.60 -0.02 -4.62 1.43 0.12 -4.83 118.68 108.81 1yud s LEU 13 Ca 0.04 2.02 0.04 0.00 -1.03 0.00 0.00 54.13 55.20 1yud s LEU 13 Cb -0.02 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1yud s LEU 13 CO 0.77 0.05 -0.13 -0.70 0.23 0.00 0.00 176.35 176.56 1yud s GLU 14 N -1.09 2.45 0.39 1.70 2.12 0.45 -4.86 118.70 119.86 1yud s GLU 14 Ca 0.43 -0.74 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 1yud s GLU 14 Cb -0.27 -2.38 -0.09 0.00 0.26 0.00 0.00 34.13 31.64 1yud s GLU 14 CO 0.34 0.61 1.02 -1.14 -0.54 0.00 0.00 175.26 175.55 1yud s GLN 15 N -1.01 4.22 0.10 4.30 0.74 -1.26 -1.09 119.66 125.68 1yud s GLN 15 Ca 0.13 1.43 0.10 0.00 0.05 0.00 0.00 55.36 57.08 1yud s GLN 15 Cb -0.11 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 1yud s GLN 15 CO 0.03 -0.07 -0.27 -1.01 -0.55 0.00 0.00 175.29 173.42 1yud s HIS 16 N -1.72 2.30 0.39 1.67 3.76 -1.01 -4.91 115.29 115.77 1yud s HIS 16 Ca 0.57 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 55.16 1yud s HIS 16 Cb -0.20 -1.29 0.78 0.00 1.11 0.00 0.00 32.58 32.98 1yud s HIS 16 CO 0.25 0.28 1.98 -0.24 -0.85 0.00 0.00 174.74 176.16 1yud h VAL 17 N 3.98 1.14 0.00 -0.90 3.04 -1.97 0.11 116.25 121.66 1yud h VAL 17 Ca -0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1yud h VAL 17 Cb 1.16 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1yud h VAL 17 CO 0.40 0.17 0.00 -1.84 -1.01 0.00 0.00 177.57 175.30 1yud n GLU 18 N -4.39 0.47 0.00 4.17 -0.00 -1.26 -4.90 120.64 114.74 1yud n GLU 18 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 1yud n GLU 18 Cb 0.15 -1.01 0.00 0.00 -0.00 0.00 0.00 31.44 30.58 1yud n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yud n GLY 19 N -0.03 -2.88 0.00 -1.84 0.00 0.38 -0.59 105.19 100.24 1yud n GLY 19 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.12 -2.36 2.54 -0.02 0.00 -1.26 -4.62 105.19 98.35 1yud n GLY 20 Ca 0.00 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.65 1.08 0.63 1.61 0.08 -1.15 -2.40 117.98 117.17 1yud s PHE 21 Ca 0.00 -1.81 -0.07 0.00 0.12 0.00 0.00 56.93 55.17 1yud s PHE 21 Cb 0.00 -1.21 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1yud s PHE 21 CO 0.00 -0.82 0.95 1.52 -0.10 0.00 0.00 175.22 176.77 1yud s TYR 22 N 0.94 3.19 0.00 0.36 -0.00 -0.25 -2.05 117.35 119.54 1yud s TYR 22 Ca 0.17 0.64 0.00 0.00 -0.00 0.00 0.00 57.07 57.88 1yud s TYR 22 Cb -0.23 -2.87 0.00 0.00 -0.00 0.00 0.00 41.96 38.86 1yud s TYR 22 CO -0.02 -0.99 0.00 -2.13 -0.00 0.00 0.00 175.55 172.41 1yud n ARG 23 N -2.70 0.00 -1.56 -3.49 0.00 -1.25 -0.41 116.66 107.25 1yud n ARG 23 Ca 0.06 0.00 -0.60 0.00 -0.00 0.00 0.00 57.85 57.31 1yud n ARG 23 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.96 1yud n ARG 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1yud n SER 24 N 0.00 0.44 -0.09 6.15 7.64 -1.26 -2.74 113.62 123.76 1yud n SER 24 Ca 0.00 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.92 1yud n SER 24 Cb 0.00 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 62.20 1yud n SER 24 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1yud n SER 25 N 2.13 1.84 -3.87 6.43 3.41 -0.59 -4.87 113.62 118.09 1yud n SER 25 Ca 0.22 0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1yud n SER 25 Cb 0.07 -0.90 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 1yud n SER 25 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1yud s TYR 26 N -2.33 0.49 0.04 7.33 1.51 -1.21 -5.04 117.35 118.14 1yud s TYR 26 Ca -0.21 -0.84 -0.16 0.00 -1.01 0.00 0.00 57.07 54.84 1yud s TYR 26 Cb 0.04 0.14 0.03 0.00 -0.11 0.00 0.00 41.96 42.06 1yud s TYR 26 CO 0.37 -1.01 0.37 0.50 -1.11 0.00 0.00 175.55 174.66 1yud s ARG 27 N -3.84 0.86 -0.10 -0.62 3.52 -1.26 -2.69 118.95 114.83 1yud s ARG 27 Ca 0.24 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 1yud s ARG 27 Cb -0.00 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 1yud s ARG 27 CO 0.11 -0.28 1.43 0.45 -0.81 0.00 0.00 175.30 176.19 1yud s SER 28 N -1.94 6.83 -0.00 -2.12 0.15 -0.85 -4.85 113.70 110.92 1yud s SER 28 Ca -0.06 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1yud s SER 28 Cb -0.01 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1yud s SER 28 CO -0.02 -0.81 0.60 -0.62 1.20 0.00 0.00 173.24 173.59 1yud n GLU 29 N 6.59 1.03 -4.43 5.44 1.02 -1.26 -4.53 120.64 124.50 1yud n GLU 29 Ca 0.15 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 1yud n GLU 29 Cb 0.44 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.18 1.69 0.36 2.62 2.01 -1.26 -5.10 115.64 114.78 1yud s THR 30 Ca 0.01 -1.40 0.09 0.00 0.31 0.00 0.00 61.69 60.69 1yud s THR 30 Cb 0.00 -1.51 -0.07 0.00 0.01 0.00 0.00 72.50 70.94 1yud s THR 30 CO 0.00 0.05 -0.05 0.00 -0.69 0.00 0.00 174.62 173.93 1yud s ALA 31 N -1.01 3.05 -0.08 7.40 0.00 -1.26 -1.75 121.76 128.11 1yud s ALA 31 Ca 0.07 -2.11 0.07 0.00 0.00 0.00 0.00 51.96 49.98 1yud s ALA 31 Cb -0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 1yud s ALA 31 CO 0.03 0.04 0.04 0.34 0.00 0.00 0.00 175.76 176.20 1yud n PHE 32 N -0.86 0.00 -3.61 0.00 7.35 -0.62 -4.55 117.46 115.17 1yud n PHE 32 Ca -0.05 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.52 1yud n PHE 32 Cb 0.64 -0.38 -0.05 0.00 0.35 0.00 0.00 39.48 40.04 1yud n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1yud s ASP 33 N -3.93 -0.33 0.11 -2.13 1.01 0.25 -4.94 116.67 106.70 1yud s ASP 33 Ca -0.04 -0.07 0.09 0.00 0.71 0.00 0.00 52.55 53.24 1yud s ASP 33 Cb 0.02 0.48 0.47 0.00 1.01 0.00 0.00 42.92 44.90 1yud s ASP 33 CO 0.33 -0.78 1.29 -2.65 0.21 0.00 0.00 175.17 173.57 1yud n PRO 34 N 0.12 0.05 -0.04 8.23 -0.02 -1.26 -2.79 135.00 139.29 1yud n PRO 34 Ca -0.17 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1yud n PRO 34 Cb 0.62 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.77 0.93 -4.80 2.55 3.41 -1.26 -4.98 113.62 107.70 1yud n SER 35 Ca 0.00 0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.47 1yud n SER 35 Cb 0.04 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.30 1yud n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yud s ARG 36 N -1.84 4.05 0.00 4.33 0.52 -1.12 -5.01 118.95 119.87 1yud s ARG 36 Ca -0.12 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1yud s ARG 36 Cb 0.02 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1yud s ARG 36 CO 0.18 0.54 0.00 1.04 0.02 0.00 0.00 175.30 177.08 1yud n GLN 37 N 2.35 0.22 -0.03 3.54 1.13 -1.26 0.84 117.38 124.16 1yud n GLN 37 Ca -0.12 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.81 1yud n GLN 37 Cb 0.52 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.76 1yud n GLN 37 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1yud h LEU 38 N 0.00 -0.03 -7.23 1.08 5.85 -1.58 -2.37 115.31 111.03 1yud h LEU 38 Ca 0.00 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 1yud h LEU 38 Cb 0.00 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 40.92 1yud h LEU 38 CO 0.00 0.73 0.08 -1.66 -0.34 0.00 0.00 178.44 177.25 1yud s TRP 39 N -2.96 -0.36 -0.11 1.25 1.48 -1.15 -3.21 118.94 113.89 1yud s TRP 39 Ca -0.16 0.09 -0.05 0.00 -1.06 0.00 0.00 56.10 54.92 1yud s TRP 39 Cb -0.01 0.42 0.05 0.00 -1.16 0.00 0.00 33.47 32.77 1yud s TRP 39 CO 0.62 -0.80 0.24 -1.54 -4.06 0.00 0.00 176.95 171.42 1yud s SER 40 N -2.78 -0.19 0.11 -2.66 1.04 -1.24 -2.02 113.70 105.96 1yud s SER 40 Ca 0.03 0.52 0.09 0.00 0.48 0.00 0.00 55.95 57.06 1yud s SER 40 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1yud s SER 40 CO -0.12 -0.17 -0.17 -0.55 0.98 0.00 0.00 173.24 173.21 1yud s SER 41 N 1.38 3.97 0.28 7.02 0.15 -1.09 -2.23 113.70 123.17 1yud s SER 41 Ca -0.08 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.09 1yud s SER 41 Cb -0.11 -0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 63.59 1yud s SER 41 CO -0.08 0.18 0.27 2.30 1.20 0.00 0.00 173.24 177.11 1yud n ILE 42 N 0.83 0.00 -4.08 6.45 -5.35 -0.80 -1.54 119.36 114.86 1yud n ILE 42 Ca -0.15 -1.87 -0.28 0.00 -0.27 0.00 0.00 62.75 60.18 1yud n ILE 42 Cb 0.53 0.97 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 1yud n ILE 42 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1yud s TYR 43 N -3.15 1.75 -0.30 4.28 2.02 -1.11 -3.02 117.35 117.83 1yud s TYR 43 Ca 0.31 -0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 1yud s TYR 43 Cb 0.01 -1.86 0.18 0.00 -0.40 0.00 0.00 41.96 39.89 1yud s TYR 43 CO 0.22 -0.28 1.11 0.12 -1.57 0.00 0.00 175.55 175.14 1yud s PHE 44 N -2.78 -0.39 0.47 2.71 2.19 -0.73 -3.81 117.98 115.63 1yud s PHE 44 Ca 0.28 0.44 0.08 0.00 0.33 0.00 0.00 56.93 58.06 1yud s PHE 44 Cb -0.01 0.14 0.02 0.00 -1.31 0.00 0.00 43.02 41.87 1yud s PHE 44 CO 0.17 -0.21 0.56 -1.17 1.83 0.00 0.00 175.22 176.40 1yud s LEU 45 N 2.91 3.37 -0.18 6.12 0.20 -0.87 -1.12 118.68 129.12 1yud s LEU 45 Ca -0.04 -0.68 -0.08 0.00 0.69 0.00 0.00 54.13 54.03 1yud s LEU 45 Cb -0.09 -2.12 0.07 0.00 -0.43 0.00 0.00 46.19 43.62 1yud s LEU 45 CO -0.10 -0.90 0.40 -0.76 -0.29 0.00 0.00 176.35 174.69 1yud s LEU 46 N -4.36 -0.34 0.29 -0.68 1.02 -1.16 -2.94 118.68 110.51 1yud s LEU 46 Ca 0.53 0.90 0.06 0.00 0.02 0.00 0.00 54.13 55.64 1yud s LEU 46 Cb -0.06 1.27 -0.03 0.00 0.02 0.00 0.00 46.19 47.39 1yud s LEU 46 CO 0.32 -0.21 0.33 -0.60 0.02 0.00 0.00 176.35 176.21 1yud s ARG 47 N 2.02 3.07 0.25 1.70 6.06 -1.26 -3.15 118.95 127.63 1yud s ARG 47 Ca -0.05 -1.02 -0.07 0.00 -2.50 0.00 0.00 55.73 52.09 1yud s ARG 47 Cb -0.10 -2.69 0.45 0.00 0.06 0.00 0.00 34.95 32.66 1yud s ARG 47 CO -0.12 0.26 1.62 1.15 -2.50 0.00 0.00 175.30 175.70 1yud h THR 48 N 1.20 0.26 -0.02 4.11 2.02 -1.91 0.13 112.91 118.70 1yud h THR 48 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1yud h THR 48 Cb 1.24 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1yud h THR 48 CO 0.58 0.01 0.00 0.61 0.37 0.00 0.00 175.52 177.09 1yud n GLY 49 N -1.46 -0.69 3.93 2.16 0.00 -1.26 -4.87 105.19 103.00 1yud n GLY 49 Ca 0.14 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1yud n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 50 N -1.98 3.48 -0.12 1.61 0.41 0.45 -5.10 118.70 117.45 1yud s GLU 50 Ca 0.39 -0.43 -0.28 0.00 -0.41 0.00 0.00 54.97 54.24 1yud s GLU 50 Cb 0.19 -2.95 0.07 0.00 -1.78 0.00 0.00 34.13 29.65 1yud s GLU 50 CO 0.31 0.52 0.66 0.14 -0.49 0.00 0.00 175.26 176.39 1yud s VAL 51 N -1.69 0.00 -0.02 2.63 -7.23 -1.26 -4.63 120.40 108.20 1yud s VAL 51 Ca 0.36 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1yud s VAL 51 Cb -0.12 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1yud s VAL 51 CO 0.28 -0.01 0.95 -0.55 -0.31 0.00 0.00 175.10 175.46 1yud s SER 52 N -0.66 7.32 0.36 4.85 0.15 0.61 -4.20 113.70 122.13 1yud s SER 52 Ca -0.07 1.60 -0.19 0.00 0.70 0.00 0.00 55.95 57.99 1yud s SER 52 Cb -0.02 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 1yud s SER 52 CO 0.07 -0.26 0.84 -1.00 1.20 0.00 0.00 173.24 174.08 1yud s HIS 53 N 1.08 3.39 -0.77 3.44 3.76 0.25 -2.65 115.29 123.79 1yud s HIS 53 Ca 0.50 1.43 -0.24 0.00 -0.15 0.00 0.00 55.06 56.60 1yud s HIS 53 Cb -0.20 -2.70 -0.17 0.00 1.11 0.00 0.00 32.58 30.62 1yud s HIS 53 CO 0.26 0.04 2.44 1.19 -0.85 0.00 0.00 174.74 177.82 1yud n PHE 54 N -0.32 0.93 -3.59 1.40 3.01 -0.93 -4.67 117.46 113.29 1yud n PHE 54 Ca 0.04 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1yud n PHE 54 Cb 0.53 -2.22 0.00 0.00 -0.01 0.00 0.00 39.48 37.78 1yud n PHE 54 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1yud n HIS 55 N 13.74 -0.61 -3.60 1.38 1.44 -0.86 -3.39 115.22 123.32 1yud n HIS 55 Ca 0.51 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 56.07 1yud n HIS 55 Cb 0.33 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.38 1yud n HIS 55 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1yud s ARG 56 N -1.43 0.90 0.43 -1.40 3.52 -0.27 -2.67 118.95 118.03 1yud s ARG 56 Ca 0.00 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1yud s ARG 56 Cb 0.00 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1yud s ARG 56 CO 0.00 -0.19 0.07 1.28 -0.81 0.00 0.00 175.30 175.65 1yud n LEU 57 N 1.96 0.00 -0.56 -0.88 4.32 -1.26 -1.28 117.00 119.30 1yud n LEU 57 Ca -0.16 -2.58 0.05 0.00 -0.02 0.00 0.00 56.01 53.30 1yud n LEU 57 Cb 0.56 0.23 0.10 0.00 -1.62 0.00 0.00 43.42 42.68 1yud n LEU 57 CO 0.12 -0.41 0.34 1.07 -1.22 0.00 0.00 177.39 177.30 1yud n THR 58 N -1.15 1.10 -3.72 -5.08 5.66 -1.24 -2.88 114.28 106.97 1yud n THR 58 Ca -0.14 -1.63 -0.13 0.00 -3.05 0.00 0.00 64.05 59.09 1yud n THR 58 Cb 0.53 0.19 -0.09 0.00 -1.55 0.00 0.00 70.33 69.40 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yud s ALA 59 N -1.65 -1.06 0.49 1.79 0.00 -1.26 -4.85 121.76 115.22 1yud s ALA 59 Ca 0.25 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 1yud s ALA 59 Cb 0.24 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 1yud s ALA 59 CO -0.04 -0.22 1.19 -0.25 0.00 0.00 0.00 175.76 176.45 1yud n ASP 60 N 2.54 2.03 -1.59 0.00 10.43 -1.26 -4.40 116.55 124.30 1yud n ASP 60 Ca -0.15 1.00 -0.02 0.00 2.57 0.00 0.00 54.79 58.19 1yud n ASP 60 Cb 0.57 -1.48 -0.01 0.00 1.84 0.00 0.00 41.12 42.05 1yud n ASP 60 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1yud n GLU 61 N -0.44 0.79 -3.64 -1.24 2.13 -1.14 -2.52 120.64 114.58 1yud n GLU 61 Ca 0.09 -0.27 -0.10 0.00 0.66 0.00 0.00 57.16 57.54 1yud n GLU 61 Cb 0.42 0.16 -0.07 0.00 0.27 0.00 0.00 31.44 32.22 1yud n GLU 61 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1yud s TRP 63 N -1.72 -0.73 0.08 4.31 0.52 0.05 -3.12 118.94 118.33 1yud s TRP 63 Ca 0.02 1.66 0.08 0.00 0.02 0.00 0.00 56.10 57.88 1yud s TRP 63 Cb 0.00 0.39 -0.03 0.00 -1.15 0.00 0.00 33.47 32.67 1yud s TRP 63 CO 0.01 -0.36 -0.22 0.71 0.02 0.00 0.00 176.95 177.12 1yud s TYR 64 N 0.73 1.91 -0.35 -1.98 2.02 0.17 -2.03 117.35 117.82 1yud s TYR 64 Ca -0.02 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 1yud s TYR 64 Cb -0.05 -1.08 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 1yud s TYR 64 CO -0.08 0.18 0.17 0.12 -1.57 0.00 0.00 175.55 174.37 1yud s PHE 65 N -0.99 3.23 -0.19 2.71 5.36 -0.51 -1.62 117.98 125.97 1yud s PHE 65 Ca 0.08 -1.02 -0.23 0.00 -0.96 0.00 0.00 56.93 54.81 1yud s PHE 65 Cb -0.10 -2.38 -0.20 0.00 -0.34 0.00 0.00 43.02 40.01 1yud s PHE 65 CO 0.03 -0.64 0.34 0.45 -1.46 0.00 0.00 175.22 173.95 1yud h HIS 66 N 8.36 0.00 -2.41 10.12 3.86 -1.86 -3.49 115.15 129.73 1yud h HIS 66 Ca -0.26 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.17 1yud h HIS 66 Cb 1.11 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 1yud h HIS 66 CO 0.59 1.27 0.70 0.00 0.86 0.00 0.00 177.93 181.35 1yud s ALA 67 N -2.34 -1.90 0.00 2.45 0.00 -1.15 -4.98 121.76 113.84 1yud s ALA 67 Ca -0.25 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1yud s ALA 67 Cb 0.03 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1yud s ALA 67 CO 0.59 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1yud n GLY 68 N -0.78 -2.26 3.74 0.00 0.00 -1.26 -1.15 105.19 103.48 1yud n GLY 68 Ca -0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.29 1.85 1.28 1.61 1.11 0.28 -4.85 119.66 120.65 1yud s GLN 69 Ca 0.00 1.15 -0.21 0.00 0.01 0.00 0.00 55.36 56.31 1yud s GLN 69 Cb 0.00 -1.85 0.33 0.00 -1.01 0.00 0.00 33.01 30.48 1yud s GLN 69 CO 0.00 -1.92 0.76 -1.13 0.01 0.00 0.00 175.29 173.01 1yud n SER 70 N -3.71 -3.84 -3.62 5.90 3.41 -1.26 -4.70 113.62 105.81 1yud n SER 70 Ca 0.09 -0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 57.76 1yud n SER 70 Cb 0.53 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 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 0.00 -0.04 -0.04 1.04 1.02 -1.14 -3.16 118.68 116.36 1yud s LEU 71 Ca 0.59 0.43 0.02 0.00 0.02 0.00 0.00 54.13 55.18 1yud s LEU 71 Cb -0.10 2.02 -0.03 0.00 0.02 0.00 0.00 46.19 48.10 1yud s LEU 71 CO 0.49 -0.56 -0.09 -0.89 0.02 0.00 0.00 176.35 175.32 1yud s THR 72 N -1.38 3.52 -0.75 5.49 2.01 -0.70 -2.67 115.64 121.16 1yud s THR 72 Ca -0.11 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1yud s THR 72 Cb -0.02 -2.46 0.18 0.00 0.01 0.00 0.00 72.50 70.21 1yud s THR 72 CO 0.07 0.52 0.56 -0.63 -0.69 0.00 0.00 174.62 174.45 1yud s ILE 73 N -0.86 3.40 1.21 1.82 1.01 -0.40 -2.55 121.20 124.84 1yud s ILE 73 Ca 0.14 -3.98 -0.19 0.00 0.00 0.00 0.00 60.65 56.62 1yud s ILE 73 Cb -0.11 -3.19 0.29 0.00 0.01 0.00 0.00 42.46 39.46 1yud s ILE 73 CO 0.03 -1.01 1.08 -0.31 0.00 0.00 0.00 174.94 174.74 1yud s TYR 74 N -1.24 0.52 -0.22 3.97 1.51 -1.17 -3.12 117.35 117.60 1yud s TYR 74 Ca 0.24 0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 56.84 1yud s TYR 74 Cb -0.08 -3.35 0.09 0.00 -0.11 0.00 0.00 41.96 38.51 1yud s TYR 74 CO -0.13 -3.95 0.16 0.42 -1.11 0.00 0.00 175.55 170.94 1yud s ILE 76 N -2.89 -0.18 0.90 2.71 1.01 -1.11 -1.36 121.20 120.29 1yud s ILE 76 Ca 0.70 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 1yud s ILE 76 Cb -0.12 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1yud s ILE 76 CO 0.57 -0.40 0.30 -1.54 0.00 0.00 0.00 174.94 173.86 1yud n SER 77 N 5.29 -2.34 0.00 3.58 3.41 0.44 -3.10 113.62 120.90 1yud n SER 77 Ca -0.06 0.37 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1yud n SER 77 Cb 0.47 -1.16 0.11 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.99 0.03 -0.22 4.33 -0.04 -1.26 -1.38 135.00 135.46 1yud n PRO 78 Ca 0.06 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.95 1yud n PRO 78 Cb 0.53 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.42 2.82 0.00 0.54 4.71 -1.26 -4.97 120.64 121.05 1yud n GLU 79 Ca 0.02 -2.19 0.00 0.00 -0.01 0.00 0.00 57.16 54.98 1yud n GLU 79 Cb 0.05 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 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 0.79 0.08 3.69 0.62 0.00 -0.48 -5.06 105.19 104.82 1yud n GLY 80 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.97 4.41 -0.60 1.61 2.12 -1.26 -4.73 118.70 119.28 1yud s GLU 81 Ca 0.00 1.08 -0.20 0.00 0.36 0.00 0.00 54.97 56.21 1yud s GLU 81 Cb 0.00 -3.51 0.09 0.00 0.26 0.00 0.00 34.13 30.98 1yud s GLU 81 CO 0.00 -0.14 0.75 -1.17 -0.54 0.00 0.00 175.26 174.16 1yud s LEU 82 N 1.45 5.16 0.36 2.70 2.96 -1.26 0.17 118.68 130.22 1yud s LEU 82 Ca 0.42 -1.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.09 1yud s LEU 82 Cb -0.18 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1yud s LEU 82 CO 0.18 -1.16 0.50 0.42 -1.32 0.00 0.00 176.35 174.97 1yud s THR 83 N 2.94 3.83 0.29 3.68 -4.23 -1.26 -4.95 115.64 115.94 1yud s THR 83 Ca 0.14 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1yud s THR 83 Cb -0.22 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1yud s THR 83 CO 0.08 -0.13 0.28 0.42 -0.54 0.00 0.00 174.62 174.73 1yud s THR 84 N -2.23 0.00 -0.20 3.99 -4.23 -1.26 -4.54 115.64 107.17 1yud s THR 84 Ca 0.47 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.94 1yud s THR 84 Cb -0.10 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.29 1yud s THR 84 CO 0.32 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.91 1yud s ALA 85 N -3.61 -1.32 -0.25 3.99 0.00 -1.18 -4.96 121.76 114.43 1yud s ALA 85 Ca 0.38 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.90 1yud s ALA 85 Cb 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1yud s ALA 85 CO 0.21 -0.28 0.33 -0.65 0.00 0.00 0.00 175.76 175.37 1yud s GLN 86 N 1.03 4.05 -0.20 0.00 -1.52 -1.26 -1.27 119.66 120.48 1yud s GLN 86 Ca -0.06 -0.01 -0.02 0.00 -1.95 0.00 0.00 55.36 53.32 1yud s GLN 86 Cb -0.06 -3.62 -0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1yud s GLN 86 CO -0.09 -0.18 -0.09 -1.17 -0.25 0.00 0.00 175.29 173.52 1yud s LEU 87 N 1.75 2.71 0.00 2.90 2.96 -1.09 -1.75 118.68 126.16 1yud s LEU 87 Ca 0.14 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1yud s LEU 87 Cb -0.15 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1yud s LEU 87 CO 0.09 0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1yud n GLY 88 N 4.60 -1.83 0.09 7.98 0.00 -0.80 -2.89 105.19 112.34 1yud n GLY 88 Ca -0.19 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 1yud n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yud h LEU 89 N 0.00 0.06 -8.17 0.99 3.38 -1.88 -0.56 115.31 109.14 1yud h LEU 89 Ca 0.00 -0.76 -0.29 0.00 0.09 0.00 0.00 57.88 56.92 1yud h LEU 89 Cb 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1yud h LEU 89 CO 0.00 1.31 1.35 -0.67 0.09 0.00 0.00 178.44 180.52 1yud n ASP 90 N -4.43 0.23 0.09 -0.43 2.03 -1.26 -4.74 116.55 108.04 1yud n ASP 90 Ca -0.22 -0.70 -0.03 0.00 0.52 0.00 0.00 54.79 54.36 1yud n ASP 90 Cb 0.64 -1.05 0.17 0.00 -0.72 0.00 0.00 41.12 40.15 1yud n ASP 90 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1yud h LEU 91 N 15.60 0.23 -0.98 -2.67 3.38 -1.86 -2.77 115.31 126.24 1yud h LEU 91 Ca -0.02 -0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.03 1yud h LEU 91 Cb 1.14 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1yud h LEU 91 CO 1.35 0.71 0.58 0.00 0.09 0.00 0.00 178.44 181.17 1yud h ALA 92 N 1.29 1.62 -0.00 1.53 0.00 -1.87 0.11 119.26 121.94 1yud h ALA 92 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yud h ALA 92 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yud h ALA 92 CO 0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.12 1yud n ALA 93 N -2.35 2.75 0.00 0.00 0.00 -1.23 -4.90 120.51 114.79 1yud n ALA 93 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1yud n ALA 93 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.33 0.49 3.76 0.00 0.00 0.37 -5.07 105.19 106.07 1yud n GLY 94 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.77 4.15 -0.07 1.61 2.02 -1.05 -4.79 118.70 119.82 1yud s GLU 95 Ca 0.00 2.52 0.02 0.00 0.02 0.00 0.00 54.97 57.53 1yud s GLU 95 Cb 0.00 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.23 1yud s GLU 95 CO 0.00 -0.54 -0.11 0.50 0.02 0.00 0.00 175.26 175.13 1yud s ARG 96 N -1.16 1.57 0.00 1.61 6.06 -0.71 -3.95 118.95 122.36 1yud s ARG 96 Ca 0.58 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.45 1yud s ARG 96 Cb -0.46 -1.35 0.00 0.00 0.06 0.00 0.00 34.95 33.20 1yud s ARG 96 CO 0.53 -0.01 0.87 -2.30 -2.50 0.00 0.00 175.30 171.89 1yud n PRO 97 N 3.94 0.00 -3.86 5.12 -0.02 -0.23 -1.91 135.00 138.03 1yud n PRO 97 Ca -0.22 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1yud n PRO 97 Cb 0.51 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.33 1yud n PRO 97 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1yud s GLN 98 N -2.74 0.02 0.10 -0.52 -0.21 -1.26 -1.42 119.66 113.61 1yud s GLN 98 Ca 0.00 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.36 1yud s GLN 98 Cb 0.00 0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.99 1yud s GLN 98 CO 0.00 -0.00 0.09 0.12 -2.12 0.00 0.00 175.29 173.38 1yud s PHE 99 N 0.01 0.48 -0.22 0.91 5.36 -0.86 -4.98 117.98 118.68 1yud s PHE 99 Ca -0.00 -0.93 0.00 0.00 -0.96 0.00 0.00 56.93 55.04 1yud s PHE 99 Cb -0.00 -0.27 0.06 0.00 -0.34 0.00 0.00 43.02 42.46 1yud s PHE 99 CO 0.00 -0.51 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.04 1yud s LEU 100 N -2.94 2.27 -0.49 6.12 0.20 -1.26 -0.77 118.68 121.81 1yud s LEU 100 Ca 0.12 -1.06 -0.19 0.00 0.69 0.00 0.00 54.13 53.69 1yud s LEU 100 Cb 0.06 -1.08 0.05 0.00 -0.43 0.00 0.00 46.19 44.80 1yud s LEU 100 CO -0.06 -0.23 0.58 0.54 -0.29 0.00 0.00 176.35 176.88 1yud s VAL 101 N 1.48 4.94 0.38 1.68 0.11 -1.18 -4.97 120.40 122.84 1yud s VAL 101 Ca -0.04 -0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 58.24 1yud s VAL 101 Cb -0.18 -4.24 -0.12 0.00 -1.53 0.00 0.00 36.38 30.31 1yud s VAL 101 CO -0.07 -0.72 0.96 -0.81 -3.33 0.00 0.00 175.10 171.13 1yud n PRO 102 N 5.98 1.26 -2.23 1.54 -0.04 -1.26 -2.87 135.00 137.39 1yud n PRO 102 Ca -0.07 0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 63.43 1yud n PRO 102 Cb 0.45 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.82 4.43 0.00 0.54 -2.85 -1.26 -3.18 119.74 115.59 1yud s LYS 103 Ca 0.62 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.66 1yud s LYS 103 Cb -0.61 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.02 1yud s LYS 103 CO 0.58 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 176.31 1yud n GLY 104 N 1.46 0.33 3.81 0.59 0.00 -1.14 -4.89 105.19 105.36 1yud n GLY 104 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.23 5.12 0.00 0.00 1.01 -1.18 -4.46 121.20 120.47 1yud s ILE 106 Ca 0.24 -2.60 0.00 0.00 0.00 0.00 0.00 60.65 58.29 1yud s ILE 106 Cb -0.12 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.50 1yud s ILE 106 CO 0.15 -1.55 0.00 2.22 0.00 0.00 0.00 174.94 175.77 1yud n PHE 107 N 5.38 -3.34 -1.43 3.97 -1.74 -1.09 -2.75 117.46 116.47 1yud n PHE 107 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.22 1yud n PHE 107 Cb 0.43 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.43 1yud n PHE 107 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1yud n GLY 108 N 5.00 -1.21 3.61 4.97 0.00 -0.46 -2.03 105.19 115.08 1yud n GLY 108 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.87 -0.39 0.00 1.61 0.15 -1.08 -3.03 113.70 109.08 1yud s SER 109 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1yud s SER 109 Cb 0.00 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1yud s SER 109 CO 0.00 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.22 1yud n ALA 110 N 1.58 0.00 -0.10 5.45 0.00 -1.06 -0.28 120.51 126.10 1yud n ALA 110 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 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 0.05 -3.54 0.00 5.03 -1.19 -1.72 115.26 113.89 1yud n ASN 112 Ca 0.00 -0.29 -0.11 0.00 0.87 0.00 0.00 54.58 55.06 1yud n ASN 112 Cb 0.00 0.28 -0.04 0.00 -1.02 0.00 0.00 39.78 39.00 1yud n ASN 112 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1yud s GLN 113 N -0.28 0.76 0.41 3.52 2.00 -1.26 -5.01 119.66 119.80 1yud s GLN 113 Ca 0.00 -0.04 -0.25 0.00 -2.00 0.00 0.00 55.36 53.07 1yud s GLN 113 Cb 0.00 0.36 -0.10 0.00 0.80 0.00 0.00 33.01 34.06 1yud s GLN 113 CO 0.00 -0.28 1.18 -0.25 -0.50 0.00 0.00 175.29 175.43 1yud n ASP 114 N 0.32 2.10 0.00 6.67 9.92 -1.26 -4.79 116.55 129.51 1yud n ASP 114 Ca -0.11 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 1yud n ASP 114 Cb 0.60 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1yud n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yud n GLY 115 N 0.95 0.52 1.67 0.44 0.00 -1.26 -4.92 105.19 102.59 1yud n GLY 115 Ca 0.07 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 1yud n GLY 115 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1yud n PHE 116 N 1.96 -2.76 0.00 1.61 -1.74 -1.26 -3.29 117.46 111.99 1yud n PHE 116 Ca 0.00 -0.89 0.00 0.00 -0.56 0.00 0.00 57.45 56.00 1yud n PHE 116 Cb 0.00 -0.25 0.00 0.00 1.52 0.00 0.00 39.48 40.75 1yud n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1yud n SER 117 N -2.74 0.00 -4.83 5.98 3.41 -1.19 -0.55 113.62 113.70 1yud n SER 117 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 1yud n SER 117 Cb 0.26 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1yud n SER 117 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yud s LEU 118 N 0.00 4.34 0.06 1.04 2.96 -0.30 -2.99 118.68 123.78 1yud s LEU 118 Ca 0.00 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.16 1yud s LEU 118 Cb 0.00 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1yud s LEU 118 CO 0.00 0.06 0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 1yud s VAL 119 N -1.50 0.20 -0.10 1.68 1.01 -0.27 -2.68 120.40 118.73 1yud s VAL 119 Ca 0.41 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1yud s VAL 119 Cb -0.16 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1yud s VAL 119 CO 0.20 -0.89 -0.22 -0.83 0.00 0.00 0.00 175.10 173.36 1yud s GLY 120 N -2.88 1.24 0.00 4.51 0.00 -0.64 -1.77 107.32 107.78 1yud s GLY 120 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1yud s GLY 120 CO -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 173.10 172.78 1yud s VAL 123 N -0.08 -0.55 0.00 0.00 0.11 -0.95 -1.90 120.40 117.03 1yud s VAL 123 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1yud s VAL 123 Cb 0.00 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1yud s VAL 123 CO 0.00 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.53 1yud n SER 124 N 5.24 0.00 -4.61 3.54 2.88 -1.05 -3.61 113.62 116.01 1yud n SER 124 Ca 0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 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 0.00 3.44 0.00 -1.46 0.02 -1.25 -2.94 135.00 132.80 1yud s PRO 125 Ca 0.00 1.97 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1yud s PRO 125 Cb 0.00 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.26 1yud s PRO 125 CO 0.00 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.34 1yud n GLY 126 N 5.33 0.00 3.68 0.52 0.00 -0.90 -4.72 105.19 109.10 1yud n GLY 126 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.28 -4.14 1.61 7.35 -1.24 -4.15 117.46 119.17 1yud n PHE 127 Ca 0.00 0.37 -0.19 0.00 -0.76 0.00 0.00 57.45 56.87 1yud n PHE 127 Cb 0.00 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 37.17 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 0.15 0.47 0.51 -2.13 -4.23 -1.26 -4.94 115.64 104.21 1yud s THR 128 Ca 0.70 -0.10 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1yud s THR 128 Cb -0.63 -0.50 0.22 0.00 1.34 0.00 0.00 72.50 72.92 1yud s THR 128 CO 0.47 0.21 0.98 0.33 -0.54 0.00 0.00 174.62 176.07 1yud n PHE 129 N 3.99 0.00 0.64 3.99 -0.00 -1.26 0.57 117.46 125.38 1yud n PHE 129 Ca -0.25 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.33 1yud n PHE 129 Cb 0.51 -0.14 0.37 0.00 -0.00 0.00 0.00 39.48 40.21 1yud n PHE 129 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1yud n ASP 130 N -2.64 0.76 0.07 -2.13 2.03 -1.26 -3.24 116.55 110.14 1yud n ASP 130 Ca 0.13 0.48 -0.09 0.00 0.52 0.00 0.00 54.79 55.82 1yud n ASP 130 Cb 1.11 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 1yud n ASP 130 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1yud h ASP 131 N 0.00 0.12 -4.17 1.67 5.19 -0.25 -3.46 116.42 115.52 1yud h ASP 131 Ca 0.00 -0.13 -0.51 0.00 -0.62 0.00 0.00 57.03 55.77 1yud h ASP 131 Cb 0.73 -0.04 0.11 0.00 0.18 0.00 0.00 39.33 40.31 1yud h ASP 131 CO 0.00 1.10 0.39 0.12 -3.12 0.00 0.00 179.24 177.73 1yud s PHE 132 N -2.70 2.49 -0.30 4.55 5.36 -1.20 -3.59 117.98 122.60 1yud s PHE 132 Ca -0.00 1.56 -0.02 0.00 -0.96 0.00 0.00 56.93 57.51 1yud s PHE 132 Cb 0.09 -3.27 0.19 0.00 -0.34 0.00 0.00 43.02 39.70 1yud s PHE 132 CO 0.84 -1.89 0.73 -2.00 -1.46 0.00 0.00 175.22 171.44 1yud s GLU 133 N -3.90 0.44 0.88 10.12 2.12 -0.40 -4.96 118.70 123.00 1yud s GLU 133 Ca 0.70 0.61 -0.14 0.00 0.36 0.00 0.00 54.97 56.50 1yud s GLU 133 Cb -0.23 0.32 0.14 0.00 0.26 0.00 0.00 34.13 34.61 1yud s GLU 133 CO 0.40 -0.66 1.24 -1.17 -0.54 0.00 0.00 175.26 174.53 1yud s LEU 134 N 2.88 2.61 0.02 2.70 2.96 -1.26 -1.11 118.68 127.47 1yud s LEU 134 Ca 0.15 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1yud s LEU 134 Cb -0.10 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1yud s LEU 134 CO -0.22 -2.30 0.04 -0.36 -1.32 0.00 0.00 176.35 172.20 1yud s PHE 135 N -3.72 0.20 0.07 5.38 0.40 -1.22 -4.90 117.98 114.20 1yud s PHE 135 Ca 0.68 -0.45 -0.26 0.00 -0.60 0.00 0.00 56.93 56.30 1yud s PHE 135 Cb -0.08 -0.15 -0.06 0.00 0.51 0.00 0.00 43.02 43.24 1yud s PHE 135 CO 0.51 -0.26 0.80 0.45 0.70 0.00 0.00 175.22 177.42 1yud s SER 136 N -1.65 7.29 0.11 1.36 0.15 -1.26 -4.91 113.70 114.79 1yud s SER 136 Ca -0.12 1.54 -0.22 0.00 0.70 0.00 0.00 55.95 57.85 1yud s SER 136 Cb -0.07 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1yud s SER 136 CO -0.01 0.03 1.71 -0.61 1.20 0.00 0.00 173.24 175.55 1yud h GLN 137 N 5.47 -0.06 -0.01 5.44 4.15 -1.92 0.83 115.11 129.01 1yud h GLN 137 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1yud h GLN 137 Cb 1.21 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1yud h GLN 137 CO 0.70 -0.04 0.13 0.93 -1.93 0.00 0.00 178.83 178.62 1yud h GLU 138 N -0.06 0.00 0.12 1.69 3.07 -1.94 -0.08 114.58 117.39 1yud h GLU 138 Ca 0.05 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.58 1yud h GLU 138 Cb 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1yud h GLU 138 CO -0.12 0.00 -1.74 0.00 -1.40 0.00 0.00 179.01 175.74 1yud h ALA 139 N 1.75 0.30 0.00 3.43 0.00 -0.95 -3.30 119.26 120.49 1yud h ALA 139 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1yud h ALA 139 Cb 0.27 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1yud h ALA 139 CO -0.00 1.08 0.00 1.28 0.00 0.00 0.00 179.25 181.61 1yud n LEU 140 N -3.71 0.00 -0.04 0.00 4.77 0.25 -1.45 117.00 116.83 1yud n LEU 140 Ca -0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1yud n LEU 140 Cb 0.98 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.96 1yud n LEU 140 CO 0.42 0.00 -0.81 0.18 -1.33 0.00 0.00 177.39 175.84 1yud n LEU 141 N -0.77 0.00 -0.64 2.23 4.32 -0.69 -4.53 117.00 116.91 1yud n LEU 141 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1yud n LEU 141 Cb 0.04 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1yud n LEU 141 CO 0.06 0.17 0.26 0.00 -1.22 0.00 0.00 177.39 176.67 1yud n ALA 142 N -2.26 2.26 -1.58 -1.18 0.00 -0.53 -3.44 120.51 113.77 1yud n ALA 142 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1yud n ALA 142 Cb 0.67 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.23 0.00 0.33 0.00 4.01 -1.26 -5.02 117.16 115.45 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 39.87 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 1.18 0.00 0.00 -0.72 0.11 -1.81 -3.10 132.00 127.65 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 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1yud n GLN 146 N -2.76 0.37 -1.07 1.05 0.00 -1.26 -2.94 117.38 110.77 1yud n GLN 146 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 57.00 57.09 1yud n GLN 146 Cb 0.30 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 29.18 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 -1.17 0.58 -0.04 2.61 8.25 -1.17 -4.80 115.22 119.47 1yud n HIS 147 Ca 0.10 -1.53 0.24 0.00 -0.26 0.00 0.00 57.72 56.27 1yud n HIS 147 Cb 0.11 -0.25 0.72 0.00 1.12 0.00 0.00 29.99 31.68 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 1.29 0.00 0.66 -0.41 3.64 -1.75 -2.04 116.57 117.96 1yud h LYS 148 Ca 0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1yud h LYS 148 Cb 1.23 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1yud h LYS 148 CO 0.17 0.00 -0.32 0.00 -2.27 0.00 0.00 179.45 177.03 1yud h ALA 149 N 1.47 -0.89 -0.04 5.00 0.00 -1.90 -2.95 119.26 119.96 1yud h ALA 149 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yud h ALA 149 Cb 1.45 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1yud h ALA 149 CO -0.00 -0.82 0.02 -0.24 0.00 0.00 0.00 179.25 178.20 1yud h VAL 150 N -1.23 1.15 -0.95 0.00 3.04 -1.82 -2.93 116.25 113.51 1yud h VAL 150 Ca -0.09 -0.44 0.19 0.00 -1.01 0.00 0.00 66.70 65.35 1yud h VAL 150 Cb 0.68 1.36 -0.08 0.00 -2.01 0.00 0.00 31.29 31.23 1yud h VAL 150 CO 0.15 0.12 0.61 0.58 -1.01 0.00 0.00 177.57 178.01 1yud h VAL 151 N -0.10 0.72 -0.62 1.51 2.07 -1.53 0.03 116.25 118.34 1yud h VAL 151 Ca 0.01 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1yud h VAL 151 Cb 0.18 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 1yud h VAL 151 CO -0.00 0.11 0.29 1.56 0.02 0.00 0.00 177.57 179.56 1yud h GLN 152 N 0.62 0.52 0.00 1.57 4.20 -1.32 -0.86 115.11 119.84 1yud h GLN 152 Ca 0.52 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1yud h GLN 152 Cb 0.98 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1yud h GLN 152 CO -0.27 0.34 -0.11 0.87 -0.67 0.00 0.00 178.83 178.99 1yud h LYS 153 N 0.53 0.00 -0.25 1.46 6.56 -1.06 -3.34 116.57 120.48 1yud h LYS 153 Ca 0.30 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.70 1yud h LYS 153 Cb 0.28 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 31.79 1yud h LYS 153 CO -0.24 0.00 -0.61 1.28 -2.06 0.00 0.00 179.45 177.82 1yud n LEU 154 N -2.61 3.44 -3.63 2.94 4.77 -0.64 -4.98 117.00 116.28 1yud n LEU 154 Ca 0.04 -4.18 -0.12 0.00 -0.03 0.00 0.00 56.01 51.73 1yud n LEU 154 Cb 0.48 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1yud n LEU 154 CO 0.33 1.64 0.49 -0.44 -1.33 0.00 0.00 177.39 178.08 1yud s SER 155 N -3.35 -0.69 0.12 -1.43 0.01 -0.38 -2.18 113.70 105.80 1yud s SER 155 Ca 0.42 1.31 0.03 0.00 1.31 0.00 0.00 55.95 59.03 1yud s SER 155 Cb 0.38 1.33 -0.04 0.00 0.21 0.00 0.00 66.02 67.90 1yud s SER 155 CO -0.03 -0.22 0.15 -0.13 0.41 0.00 0.00 173.24 173.41 1yud s ARG 156 N 0.46 3.04 0.69 12.44 0.52 -1.26 -4.71 118.95 130.13 1yud s ARG 156 Ca -0.00 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.32 1yud s ARG 156 Cb -0.05 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1yud s ARG 156 CO -0.03 0.53 1.25 -1.25 0.02 0.00 0.00 175.30 175.83 1yud s PRO 157 N -2.83 2.36 0.00 3.54 0.04 -1.26 -3.79 135.00 133.06 1yud s PRO 157 Ca 0.31 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1yud s PRO 157 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1yud s PRO 157 CO 0.24 -1.71 0.00 0.39 0.04 0.00 0.00 177.00 175.96