#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oug s ALA 2 N 0.00 3.65 0.54 3.14 0.00 -1.26 -1.54 121.76 126.28 1oug s ALA 2 Ca 0.00 -2.65 -0.21 0.00 0.00 0.00 0.00 51.96 49.10 1oug s ALA 2 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1oug s ALA 2 CO 0.00 -2.03 1.23 -0.06 0.00 0.00 0.00 175.76 174.90 1oug s PHE 3 N 1.34 2.52 0.33 0.00 0.08 -0.11 -5.01 117.98 117.13 1oug s PHE 3 Ca 0.06 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 1oug s PHE 3 Cb -0.27 -3.53 -0.07 0.00 -0.57 0.00 0.00 43.02 38.58 1oug s PHE 3 CO 0.01 -2.16 0.69 -1.21 -0.10 0.00 0.00 175.22 172.45 1oug s GLU 4 N -3.03 3.86 0.09 0.44 0.41 -1.26 -4.87 118.70 114.34 1oug s GLU 4 Ca 0.72 0.47 -0.26 0.00 -0.41 0.00 0.00 54.97 55.49 1oug s GLU 4 Cb -0.32 -2.48 -0.10 0.00 -1.78 0.00 0.00 34.13 29.45 1oug s GLU 4 CO 0.37 0.13 1.42 -0.09 -0.49 0.00 0.00 175.26 176.60 1oug h ARG 5 N 1.95 -0.41 0.00 1.61 2.43 -1.96 -1.18 114.38 116.83 1oug h ARG 5 Ca -0.47 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1oug h ARG 5 Cb 1.18 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1oug h ARG 5 CO 0.66 -0.27 -0.32 0.00 -1.51 0.00 0.00 179.97 178.52 1oug h GLU 7 N 0.00 0.35 -0.52 0.00 4.81 -1.86 -1.64 114.58 115.72 1oug h GLU 7 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1oug h GLU 7 Cb 0.59 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1oug h GLU 7 CO 0.04 0.35 0.16 1.25 -0.73 0.00 0.00 179.01 180.08 1oug h LEU 8 N 0.27 0.76 -0.46 1.64 5.85 -0.67 -2.01 115.31 120.70 1oug h LEU 8 Ca 0.09 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1oug h LEU 8 Cb 0.11 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1oug h LEU 8 CO -0.01 0.77 0.18 0.00 -0.34 0.00 0.00 178.44 179.04 1oug h ALA 9 N 1.02 0.56 -0.44 1.25 0.00 -0.96 0.24 119.26 120.93 1oug h ALA 9 Ca 0.17 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1oug h ALA 9 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1oug h ALA 9 CO -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 179.25 178.93 1oug h ARG 10 N 0.36 0.79 -0.30 0.00 3.08 -1.21 -1.99 114.38 115.12 1oug h ARG 10 Ca 0.21 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1oug h ARG 10 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1oug h ARG 10 CO -0.20 0.87 0.07 1.15 -1.07 0.00 0.00 179.97 180.79 1oug h THR 11 N 0.72 1.22 -0.49 2.04 2.02 -0.57 -1.65 112.91 116.20 1oug h THR 11 Ca 0.12 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1oug h THR 11 Cb 0.59 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1oug h THR 11 CO 0.04 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 176.15 1oug h LEU 12 N 0.32 0.74 -0.45 2.58 3.38 -0.89 -2.20 115.31 118.78 1oug h LEU 12 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1oug h LEU 12 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1oug h LEU 12 CO 0.00 0.78 0.24 0.50 0.09 0.00 0.00 178.44 180.05 1oug h LYS 13 N 0.74 0.64 -0.02 1.13 3.64 -1.09 -2.14 116.57 119.47 1oug h LYS 13 Ca 0.15 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1oug h LYS 13 Cb 0.38 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1oug h LYS 13 CO 0.01 0.52 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.44 1oug h ARG 14 N 0.59 0.04 -0.10 1.90 2.43 -1.00 -2.06 114.38 116.18 1oug h ARG 14 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1oug h ARG 14 Cb 0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1oug h ARG 14 CO -0.02 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 1oug n LEU 15 N -4.31 0.92 -0.58 3.80 4.77 -0.85 -4.93 117.00 115.82 1oug n LEU 15 Ca -0.02 -0.39 -0.04 0.00 -0.03 0.00 0.00 56.01 55.53 1oug n LEU 15 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1oug n LEU 15 CO 0.37 0.20 -0.03 0.61 -1.33 0.00 0.00 177.39 177.20 1oug n GLY 16 N 0.96 0.29 0.12 -0.72 0.00 -0.78 -4.97 105.19 100.09 1oug n GLY 16 Ca 0.14 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.53 1oug n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1oug h MET 17 N -0.10 0.00 -6.14 1.61 2.86 -1.61 -3.41 114.93 108.14 1oug h MET 17 Ca -0.10 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.96 1oug h MET 17 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1oug h MET 17 CO 0.11 0.23 1.37 0.34 1.06 0.00 0.00 176.91 180.02 1oug s ASP 18 N -5.85 5.69 0.00 1.22 2.15 -1.26 -1.68 116.67 116.93 1oug s ASP 18 Ca 0.00 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.52 1oug s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1oug s ASP 18 CO 0.78 -1.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 1oug n GLY 19 N 5.57 0.63 3.67 2.66 0.00 0.53 -4.88 105.19 113.37 1oug n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1oug n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oug s TYR 20 N -2.29 1.70 -1.48 1.61 5.04 -0.68 -1.45 117.35 119.81 1oug s TYR 20 Ca 0.00 -0.15 -0.12 0.00 -2.44 0.00 0.00 57.07 54.36 1oug s TYR 20 Cb 0.00 -4.12 0.07 0.00 0.35 0.00 0.00 41.96 38.26 1oug s TYR 20 CO 0.00 -4.85 0.86 0.54 -1.34 0.00 0.00 175.55 170.76 1oug n ARG 21 N 6.96 -5.18 -0.96 4.97 5.12 -1.26 -1.07 116.66 125.25 1oug n ARG 21 Ca 0.18 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1oug n ARG 21 Cb 0.41 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1oug n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1oug n GLY 22 N -1.59 0.56 3.56 -0.13 0.00 -0.53 -5.01 105.19 102.06 1oug n GLY 22 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1oug n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oug s ILE 23 N -2.46 5.14 0.66 -0.61 1.01 -0.23 -4.87 121.20 119.84 1oug s ILE 23 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 1oug s ILE 23 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1oug s ILE 23 CO 0.00 -0.07 1.14 -0.94 0.00 0.00 0.00 174.94 175.08 1oug s SER 24 N 1.72 4.93 0.24 3.58 1.04 -1.26 -0.35 113.70 123.60 1oug s SER 24 Ca 0.14 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 58.67 1oug s SER 24 Cb -0.16 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.81 1oug s SER 24 CO 0.12 -1.76 1.77 0.25 0.98 0.00 0.00 173.24 174.60 1oug h LEU 25 N 0.12 0.50 -1.90 2.42 5.85 -1.90 -1.48 115.31 118.92 1oug h LEU 25 Ca -0.48 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1oug h LEU 25 Cb 1.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1oug h LEU 25 CO 0.53 0.26 0.16 0.00 -0.34 0.00 0.00 178.44 179.04 1oug h ALA 26 N 1.49 2.05 -0.29 1.25 0.00 -1.92 -0.11 119.26 121.73 1oug h ALA 26 Ca 0.40 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 1oug h ALA 26 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1oug h ALA 26 CO -0.31 -0.09 -0.46 -0.91 0.00 0.00 0.00 179.25 177.48 1oug h ASN 27 N 0.13 0.90 -0.43 0.00 2.35 -1.58 -0.56 115.58 116.40 1oug h ASN 27 Ca 0.10 -0.52 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 1oug h ASN 27 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1oug h ASN 27 CO -0.01 1.25 0.02 -0.50 -1.65 0.00 0.00 177.43 176.53 1oug h TRP 28 N 0.59 0.86 -0.35 1.19 4.06 -1.10 -0.77 115.95 120.43 1oug h TRP 28 Ca 0.02 -0.12 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 1oug h TRP 28 Cb 1.06 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 1oug h TRP 28 CO 0.08 0.79 0.05 0.52 -3.56 0.00 0.00 178.44 176.31 1oug h MET 29 N 0.76 0.58 -0.76 0.49 2.86 -0.89 -1.61 114.93 116.36 1oug h MET 29 Ca 0.15 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1oug h MET 29 Cb 0.43 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1oug h MET 29 CO 0.02 0.67 0.47 0.00 1.06 0.00 0.00 176.91 179.13 1oug h LEU 31 N 1.04 -0.63 -1.26 0.00 5.85 -0.95 -2.42 115.31 116.93 1oug h LEU 31 Ca 0.28 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1oug h LEU 31 Cb -0.06 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1oug h LEU 31 CO -0.05 -0.40 0.51 0.00 -0.34 0.00 0.00 178.44 178.16 1oug h ALA 32 N -0.07 1.51 0.25 1.25 0.00 -1.11 -0.02 119.26 121.06 1oug h ALA 32 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1oug h ALA 32 Cb 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1oug h ALA 32 CO 0.04 0.43 -0.14 -0.22 0.00 0.00 0.00 179.25 179.36 1oug h LYS 33 N 0.98 -0.36 0.00 0.00 1.63 -1.10 -1.62 116.57 116.11 1oug h LYS 33 Ca 0.30 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 60.00 1oug h LYS 33 Cb -0.01 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1oug h LYS 33 CO -0.08 -0.24 -0.59 -1.49 -3.45 0.00 0.00 179.45 173.60 1oug h TRP 34 N -0.37 0.00 0.14 1.91 4.06 -1.25 -0.87 115.95 119.57 1oug h TRP 34 Ca -0.03 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.66 1oug h TRP 34 Cb 0.31 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.49 1oug h TRP 34 CO -0.08 0.59 -1.12 0.93 -3.56 0.00 0.00 178.44 175.19 1oug h GLU 35 N 0.00 0.52 0.00 0.49 4.39 -0.97 -3.43 114.58 115.58 1oug h GLU 35 Ca -0.01 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1oug h GLU 35 Cb 1.28 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1oug h GLU 35 CO 0.08 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.13 1oug n SER 36 N -3.90 0.00 -0.81 1.42 3.41 -0.67 -4.84 113.62 108.22 1oug n SER 36 Ca -0.14 -0.36 -0.07 0.00 -0.26 0.00 0.00 58.87 58.03 1oug n SER 36 Cb 0.94 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 1oug n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oug n GLY 37 N 0.00 0.21 2.42 5.00 0.00 -0.33 -3.06 105.19 109.43 1oug n GLY 37 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1oug n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oug n TYR 38 N -3.81 -1.00 -4.09 1.61 0.53 -1.14 -4.78 117.16 104.48 1oug n TYR 38 Ca -0.09 0.21 -0.34 0.00 -1.02 0.00 0.00 57.90 56.66 1oug n TYR 38 Cb 0.52 -3.04 -0.14 0.00 -1.03 0.00 0.00 39.34 35.64 1oug n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1oug s ASN 39 N -2.68 4.03 0.49 7.72 2.47 -1.17 -0.93 114.94 124.86 1oug s ASN 39 Ca 0.12 -0.43 0.28 0.00 0.42 0.00 0.00 52.86 53.25 1oug s ASN 39 Cb -0.05 -1.67 1.07 0.00 -1.45 0.00 0.00 41.25 39.15 1oug s ASN 39 CO 0.15 0.01 1.88 0.71 -3.72 0.00 0.00 177.10 176.13 1oug h THR 40 N 5.70 0.27 -0.45 -5.21 1.35 -1.61 -3.19 112.91 109.78 1oug h THR 40 Ca -0.40 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1oug h THR 40 Cb 1.16 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1oug h THR 40 CO 0.60 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.87 1oug n ARG 41 N -3.24 2.43 -1.83 4.72 1.85 -1.26 -4.06 116.66 115.27 1oug n ARG 41 Ca 0.01 -2.18 -0.42 0.00 -1.00 0.00 0.00 57.85 54.26 1oug n ARG 41 Cb 0.38 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.27 1oug n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1oug s ALA 42 N -1.42 3.81 0.02 2.89 0.00 -1.21 -4.78 121.76 121.09 1oug s ALA 42 Ca 0.40 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1oug s ALA 42 Cb 0.22 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1oug s ALA 42 CO 0.31 -0.87 -0.04 0.95 0.00 0.00 0.00 175.76 176.10 1oug s THR 43 N 0.77 0.25 -0.15 0.00 -4.23 -1.26 -0.13 115.64 110.88 1oug s THR 43 Ca 0.69 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1oug s THR 43 Cb -0.47 -0.36 0.08 0.00 1.34 0.00 0.00 72.50 73.09 1oug s THR 43 CO 0.37 -0.41 0.23 0.21 -0.54 0.00 0.00 174.62 174.47 1oug s ASN 44 N -1.36 0.88 0.07 3.99 2.47 -0.79 -4.98 114.94 115.22 1oug s ASN 44 Ca -0.13 0.17 -0.22 0.00 0.42 0.00 0.00 52.86 53.11 1oug s ASN 44 Cb -0.09 0.48 -0.07 0.00 -1.45 0.00 0.00 41.25 40.13 1oug s ASN 44 CO -0.00 -0.28 0.64 -0.47 -3.72 0.00 0.00 177.10 173.27 1oug s TYR 45 N 2.36 3.80 -0.62 0.43 6.14 -1.26 -0.81 117.35 127.38 1oug s TYR 45 Ca 0.04 1.36 -0.08 0.00 0.64 0.00 0.00 57.07 59.03 1oug s TYR 45 Cb -0.14 -2.62 0.16 0.00 0.42 0.00 0.00 41.96 39.78 1oug s TYR 45 CO -0.10 0.48 0.49 -0.80 0.64 0.00 0.00 175.55 176.27 1oug s ASN 46 N -0.79 5.84 0.38 4.32 0.01 0.14 -4.95 114.94 119.89 1oug s ASN 46 Ca 0.32 -2.44 0.13 0.00 -0.71 0.00 0.00 52.86 50.15 1oug s ASN 46 Cb -0.20 -2.01 0.94 0.00 0.41 0.00 0.00 41.25 40.38 1oug s ASN 46 CO 0.21 -0.55 1.86 0.00 -1.51 0.00 0.00 177.10 177.11 1oug h ALA 47 N 7.79 1.99 -0.88 0.60 0.00 -1.96 0.91 119.26 127.71 1oug h ALA 47 Ca -0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1oug h ALA 47 Cb 1.02 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1oug h ALA 47 CO 0.78 -0.25 0.55 0.78 0.00 0.00 0.00 179.25 181.12 1oug h GLY 48 N 0.56 1.30 0.00 0.00 0.00 -1.95 -3.24 103.07 99.74 1oug h GLY 48 Ca 0.45 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1oug h GLY 48 CO -0.20 0.31 0.00 2.09 0.00 0.00 0.00 176.54 178.75 1oug n ASP 49 N -4.58 1.57 -1.42 0.19 5.75 -0.99 -5.02 116.55 112.05 1oug n ASP 49 Ca 0.12 -1.61 -0.15 0.00 -0.01 0.00 0.00 54.79 53.14 1oug n ASP 49 Cb 0.14 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 1oug n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1oug n ARG 50 N -0.30 -1.11 -3.94 0.11 1.74 0.28 -4.83 116.66 108.60 1oug n ARG 50 Ca 0.00 0.87 -0.22 0.00 -0.77 0.00 0.00 57.85 57.73 1oug n ARG 50 Cb 0.17 -5.10 -0.05 0.00 -1.02 0.00 0.00 32.46 26.46 1oug n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1oug s SER 51 N -2.58 4.94 0.01 0.55 1.04 -1.21 -4.53 113.70 111.91 1oug s SER 51 Ca 0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1oug s SER 51 Cb 0.00 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 1oug s SER 51 CO 0.00 -0.36 -0.10 -0.89 0.98 0.00 0.00 173.24 172.87 1oug s THR 52 N -2.39 0.74 -0.17 2.02 2.01 -1.26 -0.68 115.64 115.90 1oug s THR 52 Ca 0.40 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 1oug s THR 52 Cb -0.04 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1oug s THR 52 CO 0.25 0.11 0.28 -1.81 -0.69 0.00 0.00 174.62 172.75 1oug s ASP 53 N -0.49 6.39 -0.07 3.53 1.01 0.01 -0.89 116.67 126.16 1oug s ASP 53 Ca 0.02 0.45 0.05 0.00 0.71 0.00 0.00 52.55 53.78 1oug s ASP 53 Cb -0.05 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1oug s ASP 53 CO -0.00 0.09 -0.24 -0.31 0.21 0.00 0.00 175.17 174.91 1oug s TYR 54 N 0.57 2.48 0.00 4.23 2.02 0.01 -1.89 117.35 124.78 1oug s TYR 54 Ca 0.15 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1oug s TYR 54 Cb -0.13 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1oug s TYR 54 CO 0.03 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 1oug n GLY 55 N 3.12 -2.04 0.32 0.71 0.00 0.81 -1.90 105.19 106.22 1oug n GLY 55 Ca -0.18 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.48 1oug n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oug h ILE 56 N 0.00 0.99 -0.03 -0.61 2.10 -1.69 -1.39 117.51 116.88 1oug h ILE 56 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1oug h ILE 56 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1oug h ILE 56 CO 0.00 0.07 -0.05 0.49 -1.08 0.00 0.00 178.15 177.58 1oug n PHE 57 N -4.48 0.00 -3.57 2.19 0.99 -1.26 -4.06 117.46 107.27 1oug n PHE 57 Ca 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.24 1oug n PHE 57 Cb 0.21 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.74 1oug n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1oug n GLN 58 N 1.11 -1.41 -2.82 -1.08 1.13 -0.52 -4.93 117.38 108.86 1oug n GLN 58 Ca 0.13 0.61 -0.41 0.00 -1.94 0.00 0.00 57.00 55.38 1oug n GLN 58 Cb 0.55 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.42 1oug n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oug s ILE 59 N -3.40 4.90 0.17 5.09 1.01 -0.80 -4.49 121.20 123.69 1oug s ILE 59 Ca 0.43 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.62 1oug s ILE 59 Cb -0.13 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1oug s ILE 59 CO 0.83 0.14 1.08 0.21 0.00 0.00 0.00 174.94 177.20 1oug s ASN 60 N 0.99 7.31 0.00 3.58 3.84 -1.26 -0.81 114.94 128.59 1oug s ASN 60 Ca 0.46 2.06 0.16 0.00 0.21 0.00 0.00 52.86 55.75 1oug s ASN 60 Cb -0.19 -2.60 0.74 0.00 -0.55 0.00 0.00 41.25 38.65 1oug s ASN 60 CO 0.22 -0.19 1.50 -1.54 -2.79 0.00 0.00 177.10 174.30 1oug n SER 61 N 2.36 0.00 0.07 -4.21 3.41 -0.06 -2.28 113.62 112.91 1oug n SER 61 Ca 0.02 0.34 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1oug n SER 61 Cb 0.46 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1oug n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1oug h ARG 62 N 0.00 0.35 0.00 4.33 2.43 -1.83 -3.41 114.38 116.26 1oug h ARG 62 Ca 0.00 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1oug h ARG 62 Cb 0.23 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1oug h ARG 62 CO 0.00 1.07 -1.04 0.66 -1.51 0.00 0.00 179.97 179.15 1oug n TYR 63 N -3.72 0.00 -0.11 2.20 4.02 -1.21 -0.24 117.16 118.11 1oug n TYR 63 Ca -0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.63 1oug n TYR 63 Cb 0.83 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 40.00 1oug n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1oug n TRP 64 N -2.07 0.26 -4.21 -0.72 7.02 -0.96 -0.45 117.44 116.31 1oug n TRP 64 Ca -0.01 0.06 -0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1oug n TRP 64 Cb 0.52 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.27 1oug n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1oug s ASN 66 N -2.84 6.22 0.00 0.00 2.47 -0.39 -4.52 114.94 115.88 1oug s ASN 66 Ca 0.11 0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.66 1oug s ASN 66 Cb 0.00 -2.17 0.04 0.00 -1.45 0.00 0.00 41.25 37.67 1oug s ASN 66 CO -0.00 -0.07 0.80 -0.90 -3.72 0.00 0.00 177.10 173.21 1oug n ASP 67 N 4.81 1.66 0.00 -4.21 5.68 -1.26 -1.50 116.55 121.73 1oug n ASP 67 Ca -0.11 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1oug n ASP 67 Cb 0.51 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1oug n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oug n GLY 68 N -0.07 2.08 0.71 6.12 0.00 -1.26 -4.75 105.19 108.02 1oug n GLY 68 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1oug n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1oug n LYS 69 N -1.32 2.89 -3.65 1.61 2.85 -1.26 -4.94 118.16 114.34 1oug n LYS 69 Ca 0.00 -2.32 -0.38 0.00 -1.05 0.00 0.00 58.31 54.56 1oug n LYS 69 Cb 0.00 -1.47 -0.12 0.00 -0.65 0.00 0.00 35.03 32.80 1oug n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1oug s THR 70 N -1.65 4.81 0.34 0.58 2.01 -1.26 -4.94 115.64 115.53 1oug s THR 70 Ca 0.29 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1oug s THR 70 Cb 0.20 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 69.26 1oug s THR 70 CO 0.13 0.21 1.54 -2.65 -0.69 0.00 0.00 174.62 173.16 1oug n PRO 71 N 5.00 2.70 -3.33 4.92 -0.02 -1.26 -2.99 135.00 140.02 1oug n PRO 71 Ca -0.15 0.95 -0.24 0.00 -2.02 0.00 0.00 63.50 62.05 1oug n PRO 71 Cb 0.51 -2.71 0.01 0.00 -0.02 0.00 0.00 33.50 31.28 1oug n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oug n GLY 72 N 1.24 -0.49 3.83 -1.23 0.00 -1.26 -4.93 105.19 102.34 1oug n GLY 72 Ca 0.05 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1oug n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oug s ALA 73 N -3.02 3.36 0.32 4.61 0.00 -1.16 -4.96 121.76 120.91 1oug s ALA 73 Ca 0.40 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.55 1oug s ALA 73 Cb -0.20 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1oug s ALA 73 CO 0.49 0.33 -0.04 0.14 0.00 0.00 0.00 175.76 176.68 1oug s VAL 74 N -1.79 2.62 -0.52 0.00 -7.23 0.67 -5.01 120.40 109.14 1oug s VAL 74 Ca 0.49 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1oug s VAL 74 Cb -0.13 -2.70 0.22 0.00 0.56 0.00 0.00 36.38 34.33 1oug s VAL 74 CO 0.19 -0.25 0.56 -3.20 -0.31 0.00 0.00 175.10 172.09 1oug n ASN 75 N -0.87 1.66 -0.12 4.85 5.15 -1.23 -3.76 115.26 120.92 1oug n ASN 75 Ca -0.05 -2.96 0.01 0.00 -0.60 0.00 0.00 54.58 50.98 1oug n ASN 75 Cb 0.62 -0.65 0.29 0.00 -0.53 0.00 0.00 39.78 39.50 1oug n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oug h ALA 76 N 4.54 1.47 -0.00 5.20 0.00 -0.75 -2.00 119.26 127.72 1oug h ALA 76 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1oug h ALA 76 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oug h ALA 76 CO 0.61 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 180.27 1oug n HIS 78 N -1.19 -1.82 -4.05 0.00 -0.00 -0.75 -4.98 115.22 102.42 1oug n HIS 78 Ca 0.15 0.79 -0.11 0.00 -0.00 0.00 0.00 57.72 58.55 1oug n HIS 78 Cb 0.24 -4.12 -0.11 0.00 -0.00 0.00 0.00 29.99 26.00 1oug n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1oug s LEU 79 N -6.76 2.28 0.31 2.41 1.43 -1.26 -5.07 118.68 112.03 1oug s LEU 79 Ca 0.02 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 1oug s LEU 79 Cb -0.01 -0.06 -0.10 0.00 0.03 0.00 0.00 46.19 46.05 1oug s LEU 79 CO 0.84 -0.27 0.96 -0.55 0.23 0.00 0.00 176.35 177.56 1oug s SER 80 N -1.73 7.33 0.64 2.29 0.15 -1.26 -1.27 113.70 119.85 1oug s SER 80 Ca -0.09 1.89 0.41 0.00 0.70 0.00 0.00 55.95 58.87 1oug s SER 80 Cb -0.08 -2.59 2.21 0.00 -1.71 0.00 0.00 66.02 63.85 1oug s SER 80 CO -0.01 -0.07 2.30 0.00 1.20 0.00 0.00 173.24 176.66 1oug h SER 82 N 0.00 0.97 -0.32 0.00 0.87 -1.91 -1.81 113.55 111.35 1oug h SER 82 Ca -0.00 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1oug h SER 82 Cb 0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1oug h SER 82 CO 0.00 0.61 0.26 0.00 -0.53 0.00 0.00 176.83 177.17 1oug h ALA 83 N 1.49 2.18 -0.10 6.23 0.00 -1.57 0.35 119.26 127.84 1oug h ALA 83 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1oug h ALA 83 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1oug h ALA 83 CO -0.17 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 179.93 1oug n LEU 84 N -4.19 0.67 -0.39 0.00 4.77 -0.68 -3.30 117.00 113.88 1oug n LEU 84 Ca 0.05 -0.31 0.04 0.00 -0.03 0.00 0.00 56.01 55.76 1oug n LEU 84 Cb 0.43 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1oug n LEU 84 CO 0.33 0.15 0.50 0.18 -1.33 0.00 0.00 177.39 177.22 1oug n LEU 85 N -0.24 2.21 -4.83 2.23 4.77 0.11 -3.35 117.00 117.91 1oug n LEU 85 Ca 0.09 -1.56 -0.31 0.00 -0.03 0.00 0.00 56.01 54.20 1oug n LEU 85 Cb 0.14 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1oug n LEU 85 CO 0.07 0.52 0.71 -1.10 -1.33 0.00 0.00 177.39 176.26 1oug s GLN 86 N -0.85 3.22 0.22 3.23 -0.21 -1.21 -4.51 119.66 119.56 1oug s GLN 86 Ca 0.13 0.97 0.03 0.00 0.02 0.00 0.00 55.36 56.52 1oug s GLN 86 Cb 0.08 -2.03 0.21 0.00 1.00 0.00 0.00 33.01 32.27 1oug s GLN 86 CO 0.11 -0.88 1.54 -0.44 -2.12 0.00 0.00 175.29 173.50 1oug h ASP 87 N -0.26 0.33 -3.39 5.90 5.19 -1.93 -3.40 116.42 118.86 1oug h ASP 87 Ca -0.45 -0.19 -0.59 0.00 -0.62 0.00 0.00 57.03 55.19 1oug h ASP 87 Cb 1.21 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.54 1oug h ASP 87 CO 0.58 0.86 0.63 0.21 -3.12 0.00 0.00 179.24 178.40 1oug s ASN 88 N -6.91 6.78 -0.00 6.45 3.84 -1.26 -4.93 114.94 118.92 1oug s ASN 88 Ca -0.04 0.81 0.05 0.00 0.21 0.00 0.00 52.86 53.89 1oug s ASN 88 Cb 0.12 -2.48 0.15 0.00 -0.55 0.00 0.00 41.25 38.49 1oug s ASN 88 CO 0.81 -0.78 1.12 2.30 -2.79 0.00 0.00 177.10 177.76 1oug n ILE 89 N 5.77 0.24 -0.20 -5.21 -5.35 -1.26 -4.43 119.36 108.92 1oug n ILE 89 Ca 0.08 -0.23 -0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1oug n ILE 89 Cb 0.48 0.10 0.10 0.00 -1.74 0.00 0.00 39.64 38.58 1oug n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oug h ALA 90 N 3.30 0.76 -0.42 -1.28 0.00 -1.95 0.20 119.26 119.86 1oug h ALA 90 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1oug h ALA 90 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1oug h ALA 90 CO 0.00 -0.20 -0.18 -0.44 0.00 0.00 0.00 179.25 178.44 1oug h ASP 91 N 0.40 0.89 -0.89 0.00 3.45 -1.88 -1.76 116.42 116.63 1oug h ASP 91 Ca 0.30 -0.39 0.02 0.00 0.43 0.00 0.00 57.03 57.38 1oug h ASP 91 Cb 0.36 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.84 1oug h ASP 91 CO -0.30 1.08 0.59 0.00 -1.57 0.00 0.00 179.24 179.04 1oug h ALA 92 N 0.84 1.14 -0.42 3.45 0.00 -1.66 -1.02 119.26 121.58 1oug h ALA 92 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1oug h ALA 92 Cb 0.73 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1oug h ALA 92 CO 0.06 0.50 -0.33 0.28 0.00 0.00 0.00 179.25 179.76 1oug h VAL 93 N 1.18 1.27 -0.88 0.00 2.07 -0.85 -0.67 116.25 118.36 1oug h VAL 93 Ca 0.33 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1oug h VAL 93 Cb -0.10 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1oug h VAL 93 CO -0.08 0.51 0.47 0.00 0.02 0.00 0.00 177.57 178.49 1oug h ALA 94 N 0.80 1.14 -0.27 1.67 0.00 -0.89 -1.34 119.26 120.37 1oug h ALA 94 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1oug h ALA 94 Cb 0.92 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1oug h ALA 94 CO 0.09 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.45 1oug h ALA 96 N 0.66 1.50 -0.57 0.00 0.00 -0.86 -0.18 119.26 119.80 1oug h ALA 96 Ca 0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1oug h ALA 96 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1oug h ALA 96 CO 0.12 0.38 0.08 0.87 0.00 0.00 0.00 179.25 180.71 1oug h LYS 97 N 0.56 0.93 -0.24 0.00 1.57 -1.10 -2.57 116.57 115.70 1oug h LYS 97 Ca 0.13 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1oug h LYS 97 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1oug h LYS 97 CO -0.01 0.87 0.05 -0.09 -0.57 0.00 0.00 179.45 179.70 1oug h ARG 98 N 0.87 0.40 -0.36 3.15 9.65 -0.82 -3.01 114.38 124.27 1oug h ARG 98 Ca 0.18 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 1oug h ARG 98 Cb 0.40 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.86 1oug h ARG 98 CO 0.01 0.51 -0.06 0.28 2.80 0.00 0.00 179.97 183.51 1oug h VAL 99 N 0.22 0.67 0.00 0.20 2.07 -0.81 -2.04 116.25 116.56 1oug h VAL 99 Ca 0.08 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1oug h VAL 99 Cb 0.29 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1oug h VAL 99 CO 0.00 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1oug n VAL 100 N -5.25 0.24 0.92 2.57 0.24 -0.99 -2.58 118.33 113.48 1oug n VAL 100 Ca 0.01 0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 1oug n VAL 100 Cb 0.20 -0.72 0.57 0.00 -1.47 0.00 0.00 33.84 32.42 1oug n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1oug n ARG 101 N -1.20 0.02 -2.60 7.34 0.63 -0.77 -4.17 116.66 115.92 1oug n ARG 101 Ca 0.12 0.05 -0.32 0.00 -0.92 0.00 0.00 57.85 56.77 1oug n ARG 101 Cb 0.14 -1.52 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 1oug n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1oug s ASP 102 N -3.10 6.67 0.34 6.15 -0.00 -1.06 -4.97 116.67 120.70 1oug s ASP 102 Ca 0.13 1.50 0.12 0.00 -0.00 0.00 0.00 52.55 54.30 1oug s ASP 102 Cb 0.17 -2.47 1.07 0.00 -0.00 0.00 0.00 42.92 41.69 1oug s ASP 102 CO 0.50 -0.49 1.58 1.55 -0.00 0.00 0.00 175.17 178.31 1oug h PRO 103 N 1.24 0.02 0.00 8.23 0.13 -1.89 -0.48 132.00 139.24 1oug h PRO 103 Ca -0.47 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1oug h PRO 103 Cb 1.18 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oug h PRO 103 CO 0.62 0.01 -0.14 1.96 -0.23 0.00 0.00 178.00 180.22 1oug h GLN 104 N 0.02 0.00 0.00 0.86 4.20 -1.92 -3.48 115.11 114.79 1oug h GLN 104 Ca 0.73 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.44 1oug h GLN 104 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1oug h GLN 104 CO -0.83 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 177.87 1oug n GLY 105 N -0.93 2.57 0.31 3.46 0.00 -0.19 -1.99 105.19 108.43 1oug n GLY 105 Ca -0.02 -0.43 0.20 0.00 0.00 0.00 0.00 46.02 45.76 1oug n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oug h ILE 106 N 0.00 0.14 0.00 -0.61 6.09 -1.90 -2.32 117.51 118.91 1oug h ILE 106 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1oug h ILE 106 Cb 0.00 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.42 1oug h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1oug n ARG 107 N -3.25 0.02 0.31 2.19 1.74 -0.84 -2.67 116.66 114.15 1oug n ARG 107 Ca -0.02 0.33 0.17 0.00 -0.77 0.00 0.00 57.85 57.56 1oug n ARG 107 Cb 0.13 -1.50 0.98 0.00 -1.02 0.00 0.00 32.46 31.05 1oug n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oug h ALA 108 N 2.32 1.43 -2.73 7.54 0.00 -1.57 -3.38 119.26 122.86 1oug h ALA 108 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1oug h ALA 108 Cb 0.14 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.73 1oug h ALA 108 CO 0.00 0.00 -0.49 -1.58 0.00 0.00 0.00 179.25 177.18 1oug s TRP 109 N -4.54 3.22 0.52 0.00 0.51 -1.09 -4.96 118.94 112.60 1oug s TRP 109 Ca -0.05 -0.39 0.16 0.00 -2.12 0.00 0.00 56.10 53.70 1oug s TRP 109 Cb 0.15 -2.46 1.26 0.00 -0.81 0.00 0.00 33.47 31.61 1oug s TRP 109 CO 0.52 -0.43 2.15 0.28 -0.51 0.00 0.00 176.95 178.96 1oug h VAL 110 N 5.57 1.00 -0.21 4.03 2.07 -1.89 -0.47 116.25 126.35 1oug h VAL 110 Ca -0.31 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1oug h VAL 110 Cb 1.15 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1oug h VAL 110 CO 0.64 0.00 0.05 0.00 0.02 0.00 0.00 177.57 178.29 1oug h ALA 111 N 1.99 1.71 -0.32 1.67 0.00 -1.93 -2.08 119.26 120.29 1oug h ALA 111 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1oug h ALA 111 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1oug h ALA 111 CO -0.00 0.23 0.14 2.35 0.00 0.00 0.00 179.25 181.96 1oug h TRP 112 N 0.29 0.48 -0.84 0.00 7.01 -1.40 -1.00 115.95 120.49 1oug h TRP 112 Ca 0.07 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1oug h TRP 112 Cb 0.11 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1oug h TRP 112 CO 0.00 0.45 0.43 0.00 -2.79 0.00 0.00 178.44 176.53 1oug h ARG 113 N 0.37 1.20 -0.12 2.65 -0.00 -1.47 0.16 114.38 117.17 1oug h ARG 113 Ca 0.11 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.98 59.36 1oug h ARG 113 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 29.97 29.91 1oug h ARG 113 CO -0.01 0.91 -0.17 -0.91 0.00 0.00 0.00 179.97 179.79 1oug h ASN 114 N 1.19 0.35 -0.01 7.04 2.35 -1.18 -3.37 115.58 121.97 1oug h ASN 114 Ca 0.29 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1oug h ASN 114 Cb 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1oug h ASN 114 CO -0.04 0.81 -0.18 -2.11 -1.65 0.00 0.00 177.43 174.25 1oug n ARG 115 N -4.55 2.31 -0.01 0.81 0.00 -0.40 -4.84 116.66 109.98 1oug n ARG 115 Ca -0.07 -0.52 -0.01 0.00 -0.00 0.00 0.00 57.85 57.25 1oug n ARG 115 Cb 0.39 -1.02 -0.01 0.00 -0.00 0.00 0.00 32.46 31.82 1oug n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1oug n GLN 117 N -2.82 1.90 -1.49 0.00 7.27 -0.18 -1.56 117.38 120.50 1oug n GLN 117 Ca -0.03 0.68 -0.17 0.00 0.07 0.00 0.00 57.00 57.55 1oug n GLN 117 Cb 0.53 -2.32 -0.07 0.00 2.41 0.00 0.00 30.24 30.79 1oug n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1oug n ASN 118 N 2.21 -5.49 -4.66 1.69 5.03 -1.26 -4.96 115.26 107.82 1oug n ASN 118 Ca 0.12 0.42 -0.25 0.00 0.87 0.00 0.00 54.58 55.74 1oug n ASN 118 Cb 0.30 -4.47 -0.08 0.00 -1.02 0.00 0.00 39.78 34.51 1oug n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1oug s ARG 119 N -3.41 2.12 -0.73 3.52 0.52 -0.60 -5.06 118.95 115.31 1oug s ARG 119 Ca 0.00 -1.79 -0.27 0.00 -0.52 0.00 0.00 55.73 53.15 1oug s ARG 119 Cb 0.00 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.57 1oug s ARG 119 CO 0.00 0.06 1.30 0.34 0.02 0.00 0.00 175.30 177.01 1oug s ASP 120 N -3.77 6.14 0.00 0.23 2.15 -1.26 -4.84 116.67 115.32 1oug s ASP 120 Ca 0.36 -0.39 0.24 0.00 0.43 0.00 0.00 52.55 53.19 1oug s ASP 120 Cb 0.02 -2.56 0.42 0.00 -0.30 0.00 0.00 42.92 40.50 1oug s ASP 120 CO 0.20 -1.84 1.39 1.33 -0.17 0.00 0.00 175.17 176.08 1oug n VAL 121 N 6.43 0.25 -0.33 1.11 0.24 -1.26 -4.43 118.33 120.34 1oug n VAL 121 Ca 0.04 -0.58 0.03 0.00 -2.04 0.00 0.00 64.34 61.80 1oug n VAL 121 Cb 0.49 1.07 0.21 0.00 -1.47 0.00 0.00 33.84 34.14 1oug n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1oug h ARG 122 N 4.17 1.06 -1.06 7.34 3.08 -1.91 -2.44 114.38 124.62 1oug h ARG 122 Ca 0.00 -0.06 0.31 0.00 0.07 0.00 0.00 59.98 60.29 1oug h ARG 122 Cb 0.90 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1oug h ARG 122 CO 0.00 0.70 0.76 -0.56 -1.07 0.00 0.00 179.97 179.80 1oug h GLN 123 N 1.09 0.00 0.00 0.04 3.07 -1.98 -0.33 115.11 117.00 1oug h GLN 123 Ca 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1oug h GLN 123 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1oug h GLN 123 CO -0.16 0.00 0.00 1.88 0.09 0.00 0.00 178.83 180.65 1oug h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.77 -3.22 116.97 112.08 1oug h TYR 124 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.28 1oug h TYR 124 Cb 2.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.76 1oug h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1oug n VAL 125 N -3.08 0.07 -1.84 -2.88 0.24 -0.19 -4.83 118.33 105.82 1oug n VAL 125 Ca 0.01 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 1oug n VAL 125 Cb 0.33 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1oug n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1oug s GLN 126 N -0.15 4.17 0.00 7.34 -1.52 -0.84 -2.42 119.66 126.25 1oug s GLN 126 Ca 0.01 2.49 0.00 0.00 -1.95 0.00 0.00 55.36 55.91 1oug s GLN 126 Cb 0.01 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1oug s GLN 126 CO 0.01 -0.64 0.00 0.41 -0.25 0.00 0.00 175.29 174.82 1oug n GLY 127 N 3.31 0.45 0.12 3.09 0.00 -1.26 -4.90 105.19 106.00 1oug n GLY 127 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1oug n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oug n GLY 129 N 1.42 0.30 0.32 0.00 0.00 -1.26 -4.81 105.19 101.16 1oug n GLY 129 Ca 0.09 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.40 1oug n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65