#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 3.12 0.38 1.69 2.47 -1.26 -4.89 114.94 116.44 1yud s ASN 3 Ca 0.00 1.99 0.27 0.00 0.42 0.00 0.00 52.86 55.54 1yud s ASN 3 Cb 0.00 -2.50 1.29 0.00 -1.45 0.00 0.00 41.25 38.59 1yud s ASN 3 CO 0.00 -2.94 1.82 0.00 -3.72 0.00 0.00 177.10 172.25 1yud h ALA 4 N -1.76 1.00 0.00 1.71 0.00 -1.99 -1.47 119.26 116.75 1yud h ALA 4 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1yud h ALA 4 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1yud h ALA 4 CO 0.46 0.00 -0.14 -0.44 0.00 0.00 0.00 179.25 179.13 1yud h ASP 5 N 0.00 0.00 -0.11 0.00 3.32 -1.99 -1.73 116.42 115.91 1yud h ASP 5 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1yud h ASP 5 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1yud h ASP 5 CO 0.00 0.14 -0.48 0.44 -1.72 0.00 0.00 179.24 177.62 1yud h ASP 6 N 0.00 0.62 -0.22 6.45 5.19 -1.61 -2.63 116.42 124.23 1yud h ASP 6 Ca -0.00 -0.63 -0.09 0.00 -0.62 0.00 0.00 57.03 55.69 1yud h ASP 6 Cb 0.96 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.29 1yud h ASP 6 CO 0.02 1.15 -0.22 -0.26 -3.12 0.00 0.00 179.24 176.81 1yud h PHE 7 N 0.13 0.64 -0.74 4.55 -1.00 -1.58 0.71 116.94 119.65 1yud h PHE 7 Ca -0.03 -0.19 0.01 0.00 2.81 0.00 0.00 57.97 60.57 1yud h PHE 7 Cb 1.12 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.51 1yud h PHE 7 CO 0.11 0.87 0.49 -0.84 -1.61 0.00 0.00 178.31 177.33 1yud h ILE 8 N 0.22 1.19 0.00 -0.55 -0.00 -1.38 -1.04 117.51 115.95 1yud h ILE 8 Ca 0.03 -0.35 -0.00 0.00 -0.00 0.00 0.00 64.86 64.54 1yud h ILE 8 Cb 0.77 0.10 -0.00 0.00 -0.00 0.00 0.00 36.82 37.69 1yud h ILE 8 CO 0.05 0.18 -0.06 0.50 -0.00 0.00 0.00 178.15 178.83 1yud h LYS 9 N 1.00 0.00 -0.84 0.16 3.64 -1.43 0.37 116.57 119.48 1yud h LYS 9 Ca 0.27 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.78 1yud h LYS 9 Cb -0.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1yud h LYS 9 CO -0.06 0.08 0.54 0.74 -2.27 0.00 0.00 179.45 178.48 1yud h PHE 10 N -1.00 0.76 -0.01 1.91 0.04 -0.90 0.53 116.94 118.27 1yud h PHE 10 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1yud h PHE 10 Cb 0.13 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1yud h PHE 10 CO 0.00 0.31 -0.55 1.28 -0.60 0.00 0.00 178.31 178.75 1yud n LEU 11 N -4.53 1.11 -3.47 1.54 4.77 -0.40 -4.98 117.00 111.05 1yud n LEU 11 Ca 0.15 -0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 1yud n LEU 11 Cb 0.42 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1yud n LEU 11 CO 0.31 0.23 0.08 -0.62 -1.33 0.00 0.00 177.39 176.06 1yud n GLU 12 N -0.93 -6.20 -2.97 3.23 1.02 0.18 -4.94 120.64 110.03 1yud n GLU 12 Ca 0.08 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.66 1yud n GLU 12 Cb 0.37 -5.75 -0.06 0.00 -0.02 0.00 0.00 31.44 25.97 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 -6.38 4.38 0.40 -4.62 1.43 0.12 -4.82 118.68 109.20 1yud s LEU 13 Ca 0.02 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1yud s LEU 13 Cb -0.00 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1yud s LEU 13 CO 0.74 0.03 0.02 -1.61 0.23 0.00 0.00 176.35 175.76 1yud s GLU 14 N -1.87 1.93 -0.24 1.70 2.02 0.42 -4.86 118.70 117.80 1yud s GLU 14 Ca 0.44 -2.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 1yud s GLU 14 Cb -0.18 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 1yud s GLU 14 CO 0.23 -0.10 0.13 -0.65 0.02 0.00 0.00 175.26 174.89 1yud s GLN 15 N -3.75 3.90 0.78 1.61 -0.21 -1.26 0.37 119.66 121.10 1yud s GLN 15 Ca 0.33 -0.36 -0.09 0.00 0.02 0.00 0.00 55.36 55.26 1yud s GLN 15 Cb 0.09 -3.45 0.10 0.00 1.00 0.00 0.00 33.01 30.75 1yud s GLN 15 CO 0.17 -0.04 1.11 -3.38 -2.12 0.00 0.00 175.29 171.02 1yud s HIS 16 N 1.30 2.51 -0.92 0.91 0.00 -1.18 -4.95 115.29 112.96 1yud s HIS 16 Ca 0.06 0.40 0.28 0.00 -3.00 0.00 0.00 55.06 52.80 1yud s HIS 16 Cb -0.15 -3.43 1.08 0.00 -4.00 0.00 0.00 32.58 26.08 1yud s HIS 16 CO 0.05 -1.78 1.86 1.55 -1.00 0.00 0.00 174.74 175.43 1yud n VAL 17 N -3.17 0.18 1.45 -5.38 3.14 -1.26 -3.10 118.33 110.19 1yud n VAL 17 Ca 0.10 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1yud n VAL 17 Cb 0.60 -0.49 0.02 0.00 -1.06 0.00 0.00 33.84 32.91 1yud n VAL 17 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1yud n GLU 18 N -1.73 1.13 -0.18 1.45 -0.00 -1.26 -4.97 120.64 115.08 1yud n GLU 18 Ca 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 1yud n GLU 18 Cb 0.37 -1.25 -0.00 0.00 -0.00 0.00 0.00 31.44 30.55 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 0.32 -2.90 0.00 -1.84 0.00 -1.18 -1.65 105.19 97.94 1yud n GLY 19 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.75 1.78 3.05 -0.02 0.00 -1.26 -4.62 105.19 102.37 1yud n GLY 20 Ca -0.00 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.82 3.64 0.00 1.61 0.08 -0.50 -3.12 117.98 116.87 1yud s PHE 21 Ca 0.00 -2.74 0.00 0.00 0.12 0.00 0.00 56.93 54.31 1yud s PHE 21 Cb 0.00 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1yud s PHE 21 CO 0.00 -0.94 0.00 2.48 -0.10 0.00 0.00 175.22 176.66 1yud n TYR 22 N 4.36 -2.63 0.00 0.36 -0.00 0.16 -1.84 117.16 117.57 1yud n TYR 22 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1yud n TYR 22 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 1yud n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1yud n ARG 23 N -0.88 0.00 -2.38 -3.48 3.00 -1.21 -0.44 116.66 111.27 1yud n ARG 23 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1yud n ARG 23 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1yud n ARG 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1yud s SER 24 N 0.00 7.02 -0.12 6.15 0.15 -1.26 -1.61 113.70 124.03 1yud s SER 24 Ca 0.00 1.98 -0.06 0.00 0.70 0.00 0.00 55.95 58.58 1yud s SER 24 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1yud s SER 24 CO 0.00 -0.56 -0.03 0.77 1.20 0.00 0.00 173.24 174.62 1yud h SER 25 N 7.20 0.00 -5.15 5.45 4.64 -0.87 -3.48 113.55 121.33 1yud h SER 25 Ca -0.39 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 1yud h SER 25 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1yud h SER 25 CO 0.85 0.66 -0.39 -0.31 -0.87 0.00 0.00 176.83 176.77 1yud s TYR 26 N -1.89 0.16 0.06 4.77 1.51 -0.82 -5.03 117.35 116.12 1yud s TYR 26 Ca -0.08 -0.58 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1yud s TYR 26 Cb 0.01 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1yud s TYR 26 CO 0.14 -0.52 0.00 1.03 -1.11 0.00 0.00 175.55 175.09 1yud s ARG 27 N -3.75 0.67 0.55 -0.62 0.52 -1.26 -0.07 118.95 115.00 1yud s ARG 27 Ca 0.04 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 53.85 1yud s ARG 27 Cb 0.05 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.69 1yud s ARG 27 CO -0.10 -0.15 1.11 0.45 0.02 0.00 0.00 175.30 176.63 1yud s SER 28 N -2.93 5.74 -0.03 0.23 0.15 -0.26 -4.92 113.70 111.68 1yud s SER 28 Ca 0.09 2.09 0.19 0.00 0.70 0.00 0.00 55.95 59.02 1yud s SER 28 Cb 0.08 -2.57 0.58 0.00 -1.71 0.00 0.00 66.02 62.40 1yud s SER 28 CO -0.09 -1.20 1.49 -0.62 1.20 0.00 0.00 173.24 174.02 1yud n GLU 29 N -1.45 2.97 -4.28 5.44 1.02 -1.26 -4.74 120.64 118.34 1yud n GLU 29 Ca 0.11 -2.58 -0.25 0.00 -0.02 0.00 0.00 57.16 54.42 1yud n GLU 29 Cb 0.51 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.22 3.41 -0.02 2.62 2.01 -1.26 -5.08 115.64 116.10 1yud s THR 30 Ca 0.43 -1.72 0.02 0.00 0.31 0.00 0.00 61.69 60.74 1yud s THR 30 Cb 0.24 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1yud s THR 30 CO 0.27 -0.22 -0.07 0.00 -0.69 0.00 0.00 174.62 173.90 1yud s ALA 31 N -1.98 2.98 0.00 7.40 0.00 -1.26 -2.20 121.76 126.70 1yud s ALA 31 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1yud s ALA 31 Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1yud s ALA 31 CO 0.18 0.60 0.00 0.34 0.00 0.00 0.00 175.76 176.87 1yud n PHE 32 N 1.83 0.00 -4.38 0.00 7.35 -0.89 -4.71 117.46 116.66 1yud n PHE 32 Ca -0.16 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.29 1yud n PHE 32 Cb 0.53 -0.07 -0.09 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.72 4.06 0.00 -2.13 1.01 -1.19 -4.96 116.67 111.74 1yud s ASP 33 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1yud s ASP 33 Cb 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 42.92 43.36 1yud s ASP 33 CO 0.00 0.03 0.25 -2.65 0.21 0.00 0.00 175.17 173.01 1yud n PRO 34 N -0.70 0.33 0.00 8.23 -0.02 -1.26 -2.45 135.00 139.13 1yud n PRO 34 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1yud n PRO 34 Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.59 0.06 -4.47 2.55 3.41 -1.26 -5.08 113.62 109.42 1yud n SER 35 Ca 0.00 0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 1yud n SER 35 Cb 0.12 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.00 1.87 1.09 4.33 3.00 -1.03 -5.08 118.95 121.13 1yud s ARG 36 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 55.73 54.49 1yud s ARG 36 Cb 0.00 -2.13 0.24 0.00 0.00 0.00 0.00 34.95 33.07 1yud s ARG 36 CO 0.00 0.50 1.06 -0.65 0.00 0.00 0.00 175.30 176.21 1yud s GLN 37 N -1.83 -0.32 0.42 3.54 -1.52 -1.26 -2.10 119.66 116.58 1yud s GLN 37 Ca 0.16 0.62 0.21 0.00 -1.95 0.00 0.00 55.36 54.40 1yud s GLN 37 Cb -0.10 -1.64 0.89 0.00 -0.22 0.00 0.00 33.01 31.93 1yud s GLN 37 CO 0.08 -3.26 1.83 1.25 -0.25 0.00 0.00 175.29 174.94 1yud h LEU 38 N -2.28 0.00 -7.16 2.90 5.85 -1.69 -2.42 115.31 110.51 1yud h LEU 38 Ca -0.59 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.41 1yud h LEU 38 Cb 1.34 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.22 1yud h LEU 38 CO 0.55 0.30 0.78 -1.66 -0.34 0.00 0.00 178.44 178.06 1yud s TRP 39 N -3.82 -0.10 0.05 1.25 1.48 -0.89 -4.21 118.94 112.70 1yud s TRP 39 Ca -0.01 -0.00 -0.10 0.00 -1.06 0.00 0.00 56.10 54.93 1yud s TRP 39 Cb 0.12 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1yud s TRP 39 CO 0.66 -0.30 0.20 -1.54 -4.06 0.00 0.00 176.95 171.91 1yud s SER 40 N -2.64 0.04 -0.13 -2.66 1.04 -1.10 -1.10 113.70 107.15 1yud s SER 40 Ca 0.12 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1yud s SER 40 Cb 0.02 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1yud s SER 40 CO -0.04 -0.60 0.31 -0.55 0.98 0.00 0.00 173.24 173.34 1yud s SER 41 N -2.25 -0.34 0.04 7.02 0.15 0.90 -3.04 113.70 116.19 1yud s SER 41 Ca -0.03 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1yud s SER 41 Cb 0.00 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1yud s SER 41 CO -0.05 -0.18 0.00 2.30 1.20 0.00 0.00 173.24 176.51 1yud n ILE 42 N 4.29 0.00 -5.08 6.45 -5.35 -0.99 -0.21 119.36 118.47 1yud n ILE 42 Ca -0.24 -0.22 -0.29 0.00 -0.27 0.00 0.00 62.75 61.73 1yud n ILE 42 Cb 0.54 0.05 -0.16 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.26 2.18 -0.10 4.28 2.02 -0.63 -3.17 117.35 120.66 1yud s TYR 43 Ca 0.00 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1yud s TYR 43 Cb 0.00 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1yud s TYR 43 CO 0.00 -0.26 -0.04 0.12 -1.57 0.00 0.00 175.55 173.81 1yud s PHE 44 N 0.08 1.13 0.07 2.71 2.19 -0.54 -3.30 117.98 120.32 1yud s PHE 44 Ca -0.08 -0.51 0.07 0.00 0.33 0.00 0.00 56.93 56.74 1yud s PHE 44 Cb -0.14 -1.05 -0.04 0.00 -1.31 0.00 0.00 43.02 40.49 1yud s PHE 44 CO 0.05 -0.44 -0.16 -1.17 1.83 0.00 0.00 175.22 175.32 1yud s LEU 45 N 1.82 2.73 -0.09 6.12 0.20 -0.77 -1.10 118.68 127.59 1yud s LEU 45 Ca 0.05 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.44 1yud s LEU 45 Cb -0.13 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.06 1yud s LEU 45 CO -0.07 0.22 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.85 1yud s LEU 46 N -1.76 1.70 0.14 -0.68 2.96 0.88 -1.41 118.68 120.50 1yud s LEU 46 Ca 0.17 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1yud s LEU 46 Cb -0.11 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1yud s LEU 46 CO 0.08 0.03 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.51 1yud s ARG 47 N 0.87 2.36 0.03 1.98 3.52 -1.26 -0.60 118.95 125.86 1yud s ARG 47 Ca -0.10 -1.03 -0.06 0.00 -0.13 0.00 0.00 55.73 54.41 1yud s ARG 47 Cb -0.15 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1yud s ARG 47 CO 0.01 0.48 0.42 2.41 -0.81 0.00 0.00 175.30 177.81 1yud n THR 48 N 0.21 -0.13 0.88 4.11 -1.04 -1.16 0.51 114.28 117.65 1yud n THR 48 Ca -0.11 0.65 -0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1yud n THR 48 Cb 0.54 -0.83 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 1yud n THR 48 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yud n GLY 49 N -1.05 1.74 3.26 3.41 0.00 -1.26 -4.84 105.19 106.45 1yud n GLY 49 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1yud n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 50 N -0.87 1.24 0.12 1.61 0.41 0.18 -5.11 118.70 116.28 1yud s GLU 50 Ca 0.03 -1.02 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 1yud s GLU 50 Cb 0.03 -1.41 0.01 0.00 -1.78 0.00 0.00 34.13 30.98 1yud s GLU 50 CO 0.01 0.34 0.28 0.14 -0.49 0.00 0.00 175.26 175.55 1yud s VAL 51 N -0.96 0.10 -0.63 2.63 -7.23 -1.26 -4.53 120.40 108.52 1yud s VAL 51 Ca 0.06 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 58.99 1yud s VAL 51 Cb -0.09 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.53 1yud s VAL 51 CO 0.03 -0.46 0.84 -0.55 -0.31 0.00 0.00 175.10 174.65 1yud s SER 52 N -2.87 6.19 0.48 4.85 0.15 -1.05 -4.14 113.70 117.31 1yud s SER 52 Ca 0.07 -1.24 -0.20 0.00 0.70 0.00 0.00 55.95 55.28 1yud s SER 52 Cb 0.03 -2.36 -0.12 0.00 -1.71 0.00 0.00 66.02 61.87 1yud s SER 52 CO -0.09 -1.27 0.45 1.41 1.20 0.00 0.00 173.24 174.94 1yud n HIS 53 N 7.00 -0.87 -1.68 3.44 8.25 -0.66 -2.79 115.22 127.92 1yud n HIS 53 Ca -0.06 0.54 -0.46 0.00 -0.26 0.00 0.00 57.72 57.47 1yud n HIS 53 Cb 0.44 -1.94 -0.04 0.00 1.12 0.00 0.00 29.99 29.57 1yud n HIS 53 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yud n PHE 54 N -1.19 2.39 -4.06 4.41 0.99 -1.04 -4.63 117.46 114.33 1yud n PHE 54 Ca 0.11 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.45 57.34 1yud n PHE 54 Cb 0.43 -2.71 -0.07 0.00 -1.00 0.00 0.00 39.48 36.13 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 4.20 0.62 -0.00 1.38 -3.43 -1.19 -3.08 115.29 113.78 1yud s HIS 55 Ca 0.92 -0.94 0.03 0.00 -0.80 0.00 0.00 55.06 54.27 1yud s HIS 55 Cb -0.61 -0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 30.49 1yud s HIS 55 CO 0.49 -0.90 -0.09 0.50 -2.00 0.00 0.00 174.74 172.74 1yud s ARG 56 N -4.02 0.70 0.44 -0.38 3.52 0.69 -1.37 118.95 118.53 1yud s ARG 56 Ca 0.28 -0.36 0.07 0.00 -0.13 0.00 0.00 55.73 55.58 1yud s ARG 56 Cb 0.02 -0.67 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 1yud s ARG 56 CO 0.10 0.18 0.26 -0.51 -0.81 0.00 0.00 175.30 174.52 1yud s LEU 57 N -0.34 3.07 0.00 -0.88 1.02 -1.26 -0.14 118.68 120.15 1yud s LEU 57 Ca 0.02 -1.05 0.16 0.00 0.02 0.00 0.00 54.13 53.28 1yud s LEU 57 Cb -0.04 -1.51 0.18 0.00 0.02 0.00 0.00 46.19 44.84 1yud s LEU 57 CO -0.00 -0.68 1.08 1.07 0.02 0.00 0.00 176.35 177.83 1yud n THR 58 N -1.41 0.15 -4.25 5.49 5.66 -1.10 -3.57 114.28 115.25 1yud n THR 58 Ca -0.01 -0.58 -0.14 0.00 -3.05 0.00 0.00 64.05 60.28 1yud n THR 58 Cb 0.64 1.21 -0.10 0.00 -1.55 0.00 0.00 70.33 70.53 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 -1.32 1.41 0.07 1.79 0.00 -1.26 -4.89 121.76 117.56 1yud s ALA 59 Ca 0.22 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.29 1yud s ALA 59 Cb 0.14 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 1yud s ALA 59 CO 0.21 -0.26 1.21 -0.51 0.00 0.00 0.00 175.76 176.41 1yud s ASP 60 N -3.18 7.07 0.00 0.00 -0.00 -1.26 -3.89 116.67 115.41 1yud s ASP 60 Ca 0.22 2.04 0.00 0.00 -0.00 0.00 0.00 52.55 54.81 1yud s ASP 60 Cb 0.05 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 1yud s ASP 60 CO 0.03 -0.47 0.00 1.21 -0.00 0.00 0.00 175.17 175.94 1yud n GLU 61 N 3.84 2.29 -3.64 8.23 2.13 -1.09 -2.97 120.64 129.43 1yud n GLU 61 Ca 0.09 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.87 1yud n GLU 61 Cb 0.46 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.10 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 -0.10 -0.49 -0.19 4.31 0.52 -0.62 -1.94 118.94 120.43 1yud s TRP 63 Ca 0.00 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.15 1yud s TRP 63 Cb 0.00 0.34 0.04 0.00 -1.15 0.00 0.00 33.47 32.69 1yud s TRP 63 CO 0.00 -0.24 -0.12 0.71 0.02 0.00 0.00 176.95 177.32 1yud s TYR 64 N 0.99 2.41 0.32 -1.98 2.02 -0.08 -2.10 117.35 118.93 1yud s TYR 64 Ca -0.05 -1.52 -0.29 0.00 -0.37 0.00 0.00 57.07 54.83 1yud s TYR 64 Cb -0.04 -1.66 -0.11 0.00 -0.40 0.00 0.00 41.96 39.75 1yud s TYR 64 CO -0.13 -0.73 1.52 0.12 -1.57 0.00 0.00 175.55 174.76 1yud s PHE 65 N 1.40 2.75 -0.04 2.71 5.36 0.60 -0.90 117.98 129.87 1yud s PHE 65 Ca 0.01 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1yud s PHE 65 Cb -0.15 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.51 1yud s PHE 65 CO -0.09 -3.17 -0.03 0.72 -1.46 0.00 0.00 175.22 171.18 1yud n HIS 66 N 1.57 0.00 -3.95 10.12 8.25 -0.53 -4.87 115.22 125.80 1yud n HIS 66 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1yud n HIS 66 Cb 0.39 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.37 1yud n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yud n ALA 67 N -2.66 -3.01 -0.77 -1.41 0.00 -0.91 -4.97 120.51 106.78 1yud n ALA 67 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1yud n ALA 67 Cb 0.57 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1yud n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yud n GLY 68 N -0.78 0.49 3.71 0.00 0.00 -1.26 -2.55 105.19 104.79 1yud n GLY 68 Ca 0.02 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1yud n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1yud n GLN 69 N 0.00 0.58 -2.77 1.61 -0.06 0.14 -4.93 117.38 111.95 1yud n GLN 69 Ca 0.00 0.27 -0.32 0.00 -2.00 0.00 0.00 57.00 54.95 1yud n GLN 69 Cb 0.00 -2.48 -0.04 0.00 -4.06 0.00 0.00 30.24 23.65 1yud n GLN 69 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1yud s SER 70 N -1.80 6.66 0.18 1.69 1.04 -1.26 -4.66 113.70 115.55 1yud s SER 70 Ca 0.78 1.37 0.09 0.00 0.48 0.00 0.00 55.95 58.67 1yud s SER 70 Cb -0.33 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 1yud s SER 70 CO 0.46 -0.41 -0.08 -0.76 0.98 0.00 0.00 173.24 173.43 1yud s LEU 71 N -3.65 3.01 -0.29 2.42 1.43 -0.13 -0.12 118.68 121.35 1yud s LEU 71 Ca 0.56 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1yud s LEU 71 Cb -0.10 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1yud s LEU 71 CO 0.26 0.10 -0.01 -0.89 0.23 0.00 0.00 176.35 176.04 1yud s THR 72 N -1.72 3.02 -0.36 5.49 2.01 0.15 -0.28 115.64 123.95 1yud s THR 72 Ca 0.25 -1.24 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 1yud s THR 72 Cb -0.09 -2.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1yud s THR 72 CO 0.16 -0.01 0.54 -0.63 -0.69 0.00 0.00 174.62 173.99 1yud s ILE 73 N 1.29 4.98 0.65 1.82 1.01 -0.12 -1.70 121.20 129.14 1yud s ILE 73 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1yud s ILE 73 Cb -0.19 -4.00 0.10 0.00 0.01 0.00 0.00 42.46 38.38 1yud s ILE 73 CO -0.02 -0.26 0.90 -0.31 0.00 0.00 0.00 174.94 175.26 1yud s TYR 74 N 2.47 1.84 -0.30 3.97 1.51 -1.18 -1.09 117.35 124.58 1yud s TYR 74 Ca 0.20 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 1yud s TYR 74 Cb -0.15 -2.79 0.16 0.00 -0.11 0.00 0.00 41.96 39.06 1yud s TYR 74 CO 0.14 -1.41 0.90 0.42 -1.11 0.00 0.00 175.55 174.48 1yud s ILE 76 N -2.96 -0.63 0.89 2.71 1.01 -0.98 -0.50 121.20 120.74 1yud s ILE 76 Ca 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 1yud s ILE 76 Cb -0.06 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.53 1yud s ILE 76 CO 0.42 0.00 1.09 -0.94 0.00 0.00 0.00 174.94 175.51 1yud s SER 77 N 2.60 3.54 0.52 3.58 1.04 0.79 -1.89 113.70 123.89 1yud s SER 77 Ca -0.02 1.52 0.26 0.00 0.48 0.00 0.00 55.95 58.19 1yud s SER 77 Cb -0.08 -2.20 1.44 0.00 0.10 0.00 0.00 66.02 65.28 1yud s SER 77 CO -0.18 -2.60 2.08 1.55 0.98 0.00 0.00 173.24 175.07 1yud h PRO 78 N -1.52 0.00 -0.15 4.02 0.13 -1.90 0.28 132.00 132.86 1yud h PRO 78 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1yud h PRO 78 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1yud h PRO 78 CO 0.54 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 1yud n GLU 79 N -3.71 1.37 -0.60 0.86 4.71 -1.26 -4.89 120.64 117.12 1yud n GLU 79 Ca -0.02 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.56 1yud n GLU 79 Cb 0.23 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.78 3.69 0.62 0.00 0.09 -5.05 105.19 106.12 1yud n GLY 80 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 4.41 -0.24 1.61 2.12 -1.25 -4.70 118.70 120.25 1yud s GLU 81 Ca 0.00 1.47 -0.14 0.00 0.36 0.00 0.00 54.97 56.66 1yud s GLU 81 Cb 0.00 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1yud s GLU 81 CO 0.00 -0.34 0.31 -1.17 -0.54 0.00 0.00 175.26 173.52 1yud s LEU 82 N 2.03 4.10 0.46 2.70 2.96 -1.26 -0.15 118.68 129.52 1yud s LEU 82 Ca 0.50 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1yud s LEU 82 Cb -0.20 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1yud s LEU 82 CO 0.19 -0.07 0.04 0.42 -1.32 0.00 0.00 176.35 175.62 1yud s THR 83 N 1.48 1.10 0.18 3.68 -4.23 -1.26 -5.01 115.64 111.57 1yud s THR 83 Ca 0.14 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1yud s THR 83 Cb -0.15 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1yud s THR 83 CO 0.08 0.00 0.42 0.42 -0.54 0.00 0.00 174.62 175.00 1yud s THR 84 N -2.98 0.05 0.09 3.99 -4.23 -1.26 -4.60 115.64 106.70 1yud s THR 84 Ca 0.16 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1yud s THR 84 Cb 0.03 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1yud s THR 84 CO 0.09 -0.21 0.05 0.00 -0.54 0.00 0.00 174.62 174.00 1yud s ALA 85 N -3.90 0.54 -0.13 3.99 0.00 -0.25 -4.96 121.76 117.05 1yud s ALA 85 Ca 0.11 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1yud s ALA 85 Cb 0.01 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1yud s ALA 85 CO -0.03 -0.45 -0.19 -0.65 0.00 0.00 0.00 175.76 174.44 1yud s GLN 86 N -3.97 2.69 -0.25 0.00 -1.52 -1.26 -0.94 119.66 114.42 1yud s GLN 86 Ca 0.14 -0.74 -0.02 0.00 -1.95 0.00 0.00 55.36 52.80 1yud s GLN 86 Cb 0.07 -2.21 0.02 0.00 -0.22 0.00 0.00 33.01 30.67 1yud s GLN 86 CO -0.05 -0.03 -0.05 -1.17 -0.25 0.00 0.00 175.29 173.74 1yud s LEU 87 N 0.88 3.19 0.00 2.90 2.96 0.61 -2.71 118.68 126.52 1yud s LEU 87 Ca -0.07 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 1yud s LEU 87 Cb -0.15 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1yud s LEU 87 CO -0.02 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1yud n GLY 88 N 4.70 -0.73 0.00 7.98 0.00 0.23 -0.96 105.19 116.40 1yud n GLY 88 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.19 -4.52 0.99 4.77 -1.26 -2.35 117.00 115.82 1yud n LEU 89 Ca 0.00 -1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 54.36 1yud n LEU 89 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yud n LEU 89 CO 0.00 0.30 1.65 -0.62 -1.33 0.00 0.00 177.39 177.38 1yud s ASP 90 N -0.33 6.95 0.46 -1.43 3.68 -1.26 -4.81 116.67 119.93 1yud s ASP 90 Ca 0.00 -2.71 0.18 0.00 2.13 0.00 0.00 52.55 52.15 1yud s ASP 90 Cb 0.00 -2.48 1.15 0.00 -1.45 0.00 0.00 42.92 40.14 1yud s ASP 90 CO 0.00 -0.95 1.95 -0.07 0.13 0.00 0.00 175.17 176.23 1yud h LEU 91 N 11.04 0.27 -0.18 -1.34 3.38 -1.91 -2.33 115.31 124.25 1yud h LEU 91 Ca 0.37 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.40 1yud h LEU 91 Cb 0.88 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1yud h LEU 91 CO 1.34 0.15 -0.16 0.00 0.09 0.00 0.00 178.44 179.86 1yud h ALA 92 N 1.68 -0.04 -3.49 1.53 0.00 -1.87 -3.41 119.26 113.65 1yud h ALA 92 Ca 0.32 0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.97 1yud h ALA 92 Cb 0.84 0.34 0.15 0.00 0.00 0.00 0.00 17.79 19.11 1yud h ALA 92 CO -0.08 -0.59 0.21 0.00 0.00 0.00 0.00 179.25 178.79 1yud n ALA 93 N -2.62 -1.94 0.20 0.00 0.00 -0.88 -4.88 120.51 110.40 1yud n ALA 93 Ca -0.02 -1.32 0.09 0.00 0.00 0.00 0.00 53.44 52.19 1yud n ALA 93 Cb 0.23 -0.08 0.42 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.49 -0.88 3.56 0.00 0.00 -1.26 -4.86 105.19 99.27 1yud n GLY 94 Ca 0.12 0.12 -0.49 0.00 0.00 0.00 0.00 46.02 45.77 1yud n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yud n GLU 95 N -2.04 1.01 -4.17 1.61 1.02 -1.23 -4.82 120.64 112.01 1yud n GLU 95 Ca -0.00 0.36 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1yud n GLU 95 Cb 0.07 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.58 1yud n GLU 95 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1yud s ARG 96 N -0.48 0.83 0.32 3.49 6.06 -1.10 -3.98 118.95 124.09 1yud s ARG 96 Ca 0.73 -1.25 0.23 0.00 -2.50 0.00 0.00 55.73 52.93 1yud s ARG 96 Cb -0.88 -0.32 0.21 0.00 0.06 0.00 0.00 34.95 34.03 1yud s ARG 96 CO 0.53 0.02 1.37 -1.35 -2.50 0.00 0.00 175.30 173.37 1yud h PRO 97 N 3.22 0.00 -5.35 5.12 0.11 -1.78 0.65 132.00 133.96 1yud h PRO 97 Ca -0.36 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.30 1yud h PRO 97 Cb 1.18 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.04 1yud h PRO 97 CO 0.60 0.00 -0.80 -0.65 -0.21 0.00 0.00 178.00 176.94 1yud s GLN 98 N -3.27 0.97 -0.22 1.05 -0.21 -1.26 -0.29 119.66 116.42 1yud s GLN 98 Ca 0.04 -0.74 -0.17 0.00 0.02 0.00 0.00 55.36 54.50 1yud s GLN 98 Cb 0.07 -0.98 0.06 0.00 1.00 0.00 0.00 33.01 33.17 1yud s GLN 98 CO 0.72 0.24 0.58 0.12 -2.12 0.00 0.00 175.29 174.83 1yud s PHE 99 N -0.80 -0.74 -0.21 0.91 5.36 -0.89 -5.01 117.98 116.59 1yud s PHE 99 Ca 0.02 1.65 -0.10 0.00 -0.96 0.00 0.00 56.93 57.54 1yud s PHE 99 Cb -0.08 0.33 -0.05 0.00 -0.34 0.00 0.00 43.02 42.88 1yud s PHE 99 CO 0.01 -0.37 0.15 -1.17 -1.46 0.00 0.00 175.22 172.38 1yud s LEU 100 N 0.83 4.19 -0.43 6.12 0.20 -1.26 -1.59 118.68 126.74 1yud s LEU 100 Ca -0.04 0.22 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 1yud s LEU 100 Cb -0.05 -2.11 0.11 0.00 -0.43 0.00 0.00 46.19 43.71 1yud s LEU 100 CO -0.07 0.14 0.22 0.54 -0.29 0.00 0.00 176.35 176.90 1yud s VAL 101 N 0.55 3.29 0.54 1.68 0.11 -0.82 -5.01 120.40 120.74 1yud s VAL 101 Ca 0.08 -2.15 -0.21 0.00 -2.93 0.00 0.00 61.98 56.78 1yud s VAL 101 Cb -0.12 -3.25 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 1yud s VAL 101 CO 0.00 -0.71 0.99 -0.81 -3.33 0.00 0.00 175.10 171.24 1yud n PRO 102 N 4.48 1.10 -1.85 1.54 -0.04 -1.26 -2.67 135.00 136.30 1yud n PRO 102 Ca -0.01 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.44 1yud n PRO 102 Cb 0.41 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 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 -2.48 4.18 0.00 0.54 -2.85 -1.25 -3.58 119.74 114.29 1yud s LYS 103 Ca 0.71 2.43 0.00 0.00 -1.00 0.00 0.00 55.97 58.11 1yud s LYS 103 Cb -0.46 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 1yud s LYS 103 CO 0.51 -0.75 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1yud n GLY 104 N 4.03 2.22 3.87 0.59 0.00 -1.23 -4.96 105.19 109.71 1yud n GLY 104 Ca 0.16 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.57 2.95 -0.07 0.00 1.01 -0.79 -4.28 121.20 116.44 1yud s ILE 106 Ca 0.66 -2.79 0.01 0.00 0.00 0.00 0.00 60.65 58.52 1yud s ILE 106 Cb -0.10 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1yud s ILE 106 CO 0.51 -0.76 -0.09 0.72 0.00 0.00 0.00 174.94 175.32 1yud s PHE 107 N 0.28 2.87 0.00 3.97 -0.71 -0.47 -2.32 117.98 121.60 1yud s PHE 107 Ca 0.14 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 1yud s PHE 107 Cb -0.22 -1.71 0.00 0.00 -1.21 0.00 0.00 43.02 39.88 1yud s PHE 107 CO -0.03 0.25 0.00 0.41 -1.34 0.00 0.00 175.22 174.51 1yud n GLY 108 N 2.37 4.12 3.59 1.99 0.00 0.35 -3.20 105.19 114.40 1yud n GLY 108 Ca -0.18 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 1yud n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yud s SER 109 N -0.32 -0.38 0.00 1.61 0.15 -1.12 -3.08 113.70 110.56 1yud s SER 109 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1yud s SER 109 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1yud s SER 109 CO 0.00 -0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.15 1yud n ALA 110 N 1.12 0.00 0.00 5.45 0.00 -0.69 -2.53 120.51 123.86 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 4.71 -4.10 0.00 4.13 0.83 0.32 115.26 121.15 1yud n ASN 112 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 1yud n ASN 112 Cb 0.00 0.94 -0.09 0.00 -1.54 0.00 0.00 39.78 39.08 1yud n ASN 112 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1yud s GLN 113 N -1.89 1.29 0.40 3.52 2.00 -1.26 -5.06 119.66 118.67 1yud s GLN 113 Ca 0.00 -1.61 -0.25 0.00 -2.00 0.00 0.00 55.36 51.51 1yud s GLN 113 Cb 0.00 0.30 -0.08 0.00 0.80 0.00 0.00 33.01 34.03 1yud s GLN 113 CO 0.00 -0.45 1.12 0.34 -0.50 0.00 0.00 175.29 175.80 1yud s ASP 114 N -3.16 6.59 0.00 6.67 -1.08 -1.26 -4.79 116.67 119.65 1yud s ASP 114 Ca 0.37 2.22 0.00 0.00 -0.52 0.00 0.00 52.55 54.62 1yud s ASP 114 Cb 0.06 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1yud s ASP 114 CO 0.13 -0.62 0.00 0.61 0.52 0.00 0.00 175.17 175.81 1yud n GLY 115 N 0.53 0.23 3.41 2.66 0.00 -1.26 -4.95 105.19 105.79 1yud n GLY 115 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.45 -0.04 1.61 -0.71 -1.26 -3.00 117.98 114.12 1yud s PHE 116 Ca 0.00 0.62 -0.00 0.00 -1.04 0.00 0.00 56.93 56.51 1yud s PHE 116 Cb 0.00 0.32 0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1yud s PHE 116 CO 0.00 -0.60 0.00 -1.12 -1.34 0.00 0.00 175.22 172.17 1yud s SER 117 N -1.66 0.77 -0.12 1.98 0.01 0.23 0.26 113.70 115.17 1yud s SER 117 Ca -0.08 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 1yud s SER 117 Cb -0.01 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 1yud s SER 117 CO 0.02 -0.13 -0.09 -0.22 0.41 0.00 0.00 173.24 173.23 1yud s LEU 118 N 1.32 2.95 0.08 2.44 2.96 -1.06 -0.08 118.68 127.28 1yud s LEU 118 Ca -0.06 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1yud s LEU 118 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1yud s LEU 118 CO -0.02 0.21 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.51 1yud s VAL 119 N 0.08 0.28 0.05 1.68 1.01 -0.25 -1.45 120.40 121.80 1yud s VAL 119 Ca -0.03 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.17 1yud s VAL 119 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1yud s VAL 119 CO 0.04 -0.85 -0.21 -0.83 0.00 0.00 0.00 175.10 173.25 1yud s GLY 120 N -2.97 1.53 0.23 4.51 0.00 -0.08 -1.47 107.32 109.07 1yud s GLY 120 Ca 0.12 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.63 1yud s GLY 120 CO -0.06 -1.13 0.11 0.00 0.00 0.00 0.00 173.10 172.01 1yud s VAL 123 N -2.54 -0.43 0.03 0.00 -7.23 -1.17 -2.34 120.40 106.71 1yud s VAL 123 Ca 0.15 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.12 1yud s VAL 123 Cb 0.01 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.84 1yud s VAL 123 CO 0.11 0.00 1.19 -1.28 -0.31 0.00 0.00 175.10 174.81 1yud h SER 124 N 7.24 -0.61 -1.21 4.85 0.87 -1.83 -2.92 113.55 119.94 1yud h SER 124 Ca -0.18 0.02 -0.35 0.00 -1.23 0.00 0.00 61.79 60.05 1yud h SER 124 Cb 1.13 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 1yud h SER 124 CO 0.11 -0.40 0.96 -2.84 -0.53 0.00 0.00 176.83 174.12 1yud s PRO 125 N -4.39 2.40 0.00 2.24 0.02 -1.26 -2.10 135.00 131.91 1yud s PRO 125 Ca -0.11 0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.23 1yud s PRO 125 Cb 0.01 -4.74 0.00 0.00 0.02 0.00 0.00 34.50 29.79 1yud s PRO 125 CO 0.32 -3.28 0.00 0.41 -0.33 0.00 0.00 177.00 174.11 1yud n GLY 126 N 6.35 0.00 3.78 0.52 0.00 -0.91 -4.75 105.19 110.18 1yud n GLY 126 Ca 0.34 0.00 -0.41 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 2.66 -0.20 1.61 5.36 -1.26 -4.52 117.98 121.64 1yud s PHE 127 Ca 0.00 1.20 -0.18 0.00 -0.96 0.00 0.00 56.93 57.00 1yud s PHE 127 Cb 0.00 -3.97 0.05 0.00 -0.34 0.00 0.00 43.02 38.76 1yud s PHE 127 CO 0.00 -2.81 0.52 0.95 -1.46 0.00 0.00 175.22 172.42 1yud s THR 128 N -1.11 -0.00 -1.84 0.12 -4.23 -1.26 -4.97 115.64 102.34 1yud s THR 128 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1yud s THR 128 Cb -0.45 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1yud s THR 128 CO 0.61 0.00 0.09 0.49 -0.54 0.00 0.00 174.62 175.28 1yud n PHE 129 N 2.85 0.00 1.38 3.99 3.72 -1.26 -0.24 117.46 127.91 1yud n PHE 129 Ca -0.14 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1yud n PHE 129 Cb 0.56 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.56 1yud n PHE 129 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1yud n ASP 130 N -0.56 1.29 -0.69 4.37 8.00 -1.26 -3.38 116.55 124.33 1yud n ASP 130 Ca 0.00 -1.23 0.06 0.00 0.71 0.00 0.00 54.79 54.33 1yud n ASP 130 Cb 0.00 0.06 0.16 0.00 -0.02 0.00 0.00 41.12 41.32 1yud n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1yud n ASP 131 N -0.18 1.62 -3.77 -2.24 8.00 0.67 -4.98 116.55 115.67 1yud n ASP 131 Ca 0.16 -3.44 -0.28 0.00 0.71 0.00 0.00 54.79 51.94 1yud n ASP 131 Cb 0.35 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.82 1yud n ASP 131 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1yud s PHE 132 N -2.57 1.18 -0.24 1.24 5.36 -1.22 -2.73 117.98 119.01 1yud s PHE 132 Ca 0.36 -0.91 -0.06 0.00 -0.96 0.00 0.00 56.93 55.35 1yud s PHE 132 Cb 0.35 -1.08 -0.02 0.00 -0.34 0.00 0.00 43.02 41.93 1yud s PHE 132 CO -0.07 -0.61 0.03 -1.21 -1.46 0.00 0.00 175.22 171.90 1yud s GLU 133 N 1.81 3.57 -0.02 10.12 2.02 0.81 -4.96 118.70 132.04 1yud s GLU 133 Ca -0.01 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1yud s GLU 133 Cb -0.17 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1yud s GLU 133 CO -0.08 -0.17 0.00 -1.17 0.02 0.00 0.00 175.26 173.87 1yud s LEU 134 N 1.50 3.53 0.16 1.80 2.96 -1.26 -0.22 118.68 127.14 1yud s LEU 134 Ca 0.06 0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.09 1yud s LEU 134 Cb -0.15 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1yud s LEU 134 CO 0.01 0.30 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.76 1yud s PHE 135 N -1.04 2.06 0.26 5.38 0.40 -1.18 -5.02 117.98 118.84 1yud s PHE 135 Ca 0.18 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.94 1yud s PHE 135 Cb -0.11 -1.06 -0.08 0.00 0.51 0.00 0.00 43.02 42.27 1yud s PHE 135 CO 0.09 0.36 0.70 0.45 0.70 0.00 0.00 175.22 177.52 1yud s SER 136 N -2.40 6.88 0.35 1.36 0.15 -1.26 -4.86 113.70 113.92 1yud s SER 136 Ca 0.15 1.29 0.07 0.00 0.70 0.00 0.00 55.95 58.16 1yud s SER 136 Cb -0.08 -2.37 0.77 0.00 -1.71 0.00 0.00 66.02 62.63 1yud s SER 136 CO 0.07 -0.07 1.89 -0.61 1.20 0.00 0.00 173.24 175.72 1yud h GLN 137 N 2.88 0.72 -0.32 5.44 4.15 -1.93 -1.24 115.11 124.80 1yud h GLN 137 Ca -0.48 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 1yud h GLN 137 Cb 1.18 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 1yud h GLN 137 CO 0.66 0.48 0.08 0.93 -1.93 0.00 0.00 178.83 179.04 1yud h GLU 138 N 0.74 0.51 0.00 1.69 3.07 -1.93 -2.30 114.58 116.36 1yud h GLU 138 Ca 0.42 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1yud h GLU 138 Cb 0.58 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1yud h GLU 138 CO -0.18 0.57 -0.13 0.00 -1.40 0.00 0.00 179.01 177.87 1yud h ALA 139 N 0.92 1.50 -0.11 3.43 0.00 -1.70 -2.17 119.26 121.13 1yud h ALA 139 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yud h ALA 139 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yud h ALA 139 CO 0.00 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1yud n LEU 140 N -3.98 1.01 -0.00 0.00 4.77 -0.56 -3.12 117.00 115.12 1yud n LEU 140 Ca -0.02 -0.43 0.02 0.00 -0.03 0.00 0.00 56.01 55.55 1yud n LEU 140 Cb 0.22 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1yud n LEU 140 CO 0.33 0.21 -0.27 0.18 -1.33 0.00 0.00 177.39 176.51 1yud n LEU 141 N -0.10 0.11 -0.38 2.23 4.32 -0.84 -4.53 117.00 117.81 1yud n LEU 141 Ca 0.14 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1yud n LEU 141 Cb 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1yud n LEU 141 CO 0.11 0.03 0.29 0.00 -1.22 0.00 0.00 177.39 176.60 1yud n ALA 142 N -1.37 2.42 -2.07 -1.18 0.00 -1.08 -3.74 120.51 113.49 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 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.09 0.00 0.33 0.00 4.01 -1.26 -5.07 117.16 115.07 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 0.18 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.19 0.00 -0.01 -0.72 0.11 -1.82 -2.96 132.00 127.79 1yud h PRO 145 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 1yud h PRO 145 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1yud h PRO 145 CO 0.00 0.00 -0.65 -0.56 -0.21 0.00 0.00 178.00 176.58 1yud h GLN 146 N 0.00 0.06 -1.04 1.05 -0.00 -1.95 -3.09 115.11 110.13 1yud h GLN 146 Ca 0.00 -0.04 -0.42 0.00 -0.00 0.00 0.00 58.65 58.18 1yud h GLN 146 Cb 0.57 0.01 -0.24 0.00 -0.00 0.00 0.00 27.48 27.82 1yud h GLN 146 CO 0.00 0.68 0.54 0.72 -0.00 0.00 0.00 178.83 180.77 1yud n HIS 147 N -3.79 2.40 -0.23 0.06 8.25 -1.12 -4.65 115.22 116.15 1yud n HIS 147 Ca -0.01 -1.72 0.04 0.00 -0.26 0.00 0.00 57.72 55.77 1yud n HIS 147 Cb 0.64 -0.87 0.15 0.00 1.12 0.00 0.00 29.99 31.03 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 0.94 0.18 -0.49 -0.41 3.11 -1.66 -1.35 116.57 116.88 1yud h LYS 148 Ca 0.49 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.30 1yud h LYS 148 Cb 2.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 33.36 1yud h LYS 148 CO 0.92 0.12 0.21 0.00 -2.81 0.00 0.00 179.45 177.89 1yud h ALA 149 N 1.61 0.64 0.00 5.00 0.00 -1.89 -1.60 119.26 123.01 1yud h ALA 149 Ca 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1yud h ALA 149 Cb 0.64 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yud h ALA 149 CO -0.54 0.23 -0.07 -0.24 0.00 0.00 0.00 179.25 178.63 1yud h VAL 150 N 0.66 0.14 0.05 0.00 3.04 -1.83 -2.77 116.25 115.54 1yud h VAL 150 Ca 0.17 -0.95 -0.23 0.00 -1.01 0.00 0.00 66.70 64.68 1yud h VAL 150 Cb 0.17 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1yud h VAL 150 CO -0.02 0.07 -1.04 0.58 -1.01 0.00 0.00 177.57 176.15 1yud h VAL 151 N 0.00 1.53 0.00 1.51 2.07 -0.91 -3.09 116.25 117.36 1yud h VAL 151 Ca -0.00 -2.93 -0.12 0.00 0.82 0.00 0.00 66.70 64.47 1yud h VAL 151 Cb 0.83 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1yud h VAL 151 CO 0.01 0.85 -0.57 1.56 0.02 0.00 0.00 177.57 179.44 1yud h GLN 152 N 0.08 0.00 -0.00 1.57 4.20 -1.19 -2.86 115.11 116.91 1yud h GLN 152 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1yud h GLN 152 Cb 1.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.51 1yud h GLN 152 CO 0.16 0.57 -0.09 0.36 -0.67 0.00 0.00 178.83 179.16 1yud n LYS 153 N -3.47 0.33 -1.03 1.46 -0.00 -1.06 -3.65 118.16 110.74 1yud n LYS 153 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 58.31 58.28 1yud n LYS 153 Cb 0.66 -1.50 0.13 0.00 -0.00 0.00 0.00 35.03 34.33 1yud n LYS 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yud n LEU 154 N -1.28 2.21 -3.80 -5.58 4.77 -1.12 -4.96 117.00 107.23 1yud n LEU 154 Ca 0.11 -3.28 -0.07 0.00 -0.03 0.00 0.00 56.01 52.74 1yud n LEU 154 Cb 0.29 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1yud n LEU 154 CO 0.26 1.13 0.50 -0.44 -1.33 0.00 0.00 177.39 177.51 1yud s SER 155 N -2.85 -0.28 -0.07 -1.43 0.01 -1.10 -2.49 113.70 105.49 1yud s SER 155 Ca 0.37 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.12 1yud s SER 155 Cb 0.38 0.68 0.02 0.00 0.21 0.00 0.00 66.02 67.30 1yud s SER 155 CO -0.10 -1.24 -0.10 -0.13 0.41 0.00 0.00 173.24 172.08 1yud s ARG 156 N -3.80 1.52 0.00 12.44 0.52 -1.26 -4.86 118.95 123.50 1yud s ARG 156 Ca 0.10 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1yud s ARG 156 Cb -0.05 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 34.06 1yud s ARG 156 CO 0.04 -0.06 0.00 -0.35 0.02 0.00 0.00 175.30 174.95 1yud n PRO 157 N 4.12 1.51 -0.37 3.54 -0.04 -1.26 -4.22 135.00 138.29 1yud n PRO 157 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1yud n PRO 157 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1yud n PRO 157 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55