#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loz s VAL 2 N 0.00 4.46 0.58 3.15 1.01 -1.26 -1.10 120.40 127.23 1loz s VAL 2 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1loz s VAL 2 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1loz s VAL 2 CO 0.00 -0.51 1.12 -0.36 0.00 0.00 0.00 175.10 175.35 1loz s PHE 3 N 1.48 2.66 0.19 5.22 0.40 -0.33 -4.99 117.98 122.60 1loz s PHE 3 Ca 0.03 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 57.76 1loz s PHE 3 Cb -0.23 -3.25 -0.07 0.00 0.51 0.00 0.00 43.02 39.97 1loz s PHE 3 CO 0.03 -1.61 0.61 -1.21 0.70 0.00 0.00 175.22 173.74 1loz s GLU 4 N -3.54 4.02 0.10 0.44 0.41 -1.26 -4.86 118.70 114.01 1loz s GLU 4 Ca 0.71 0.56 -0.22 0.00 -0.41 0.00 0.00 54.97 55.61 1loz s GLU 4 Cb -0.23 -2.83 -0.06 0.00 -1.78 0.00 0.00 34.13 29.23 1loz s GLU 4 CO 0.31 0.40 1.37 -0.09 -0.49 0.00 0.00 175.26 176.77 1loz h ARG 5 N 3.25 -0.11 -0.04 1.61 2.43 -1.96 -0.90 114.38 118.66 1loz h ARG 5 Ca -0.48 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1loz h ARG 5 Cb 1.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1loz h ARG 5 CO 0.66 -0.07 -0.15 0.00 -1.51 0.00 0.00 179.97 178.89 1loz h GLU 7 N 0.06 0.16 -0.55 0.00 4.81 -1.77 -2.01 114.58 115.27 1loz h GLU 7 Ca 0.01 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1loz h GLU 7 Cb 0.31 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1loz h GLU 7 CO 0.02 0.25 0.04 1.25 -0.73 0.00 0.00 179.01 179.84 1loz h LEU 8 N 0.03 0.89 -0.36 1.64 5.85 -0.65 -2.29 115.31 120.42 1loz h LEU 8 Ca 0.04 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1loz h LEU 8 Cb 0.15 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1loz h LEU 8 CO -0.00 0.93 0.22 0.00 -0.34 0.00 0.00 178.44 179.25 1loz h ALA 9 N 1.17 0.45 -0.10 1.25 0.00 -0.92 -0.09 119.26 121.02 1loz h ALA 9 Ca 0.17 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1loz h ALA 9 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1loz h ALA 9 CO 0.02 -0.11 -0.50 0.00 0.00 0.00 0.00 179.25 178.66 1loz h ARG 10 N 0.46 0.27 -0.41 0.00 3.08 -1.32 -1.77 114.38 114.70 1loz h ARG 10 Ca 0.13 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1loz h ARG 10 Cb -0.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1loz h ARG 10 CO -0.04 0.71 0.08 1.15 -1.07 0.00 0.00 179.97 180.80 1loz h THR 11 N 0.22 1.24 -0.63 2.04 2.02 -0.81 -1.83 112.91 115.15 1loz h THR 11 Ca 0.01 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 1loz h THR 11 Cb 0.96 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1loz h THR 11 CO 0.08 0.29 0.05 -0.07 0.37 0.00 0.00 175.52 176.24 1loz h LEU 12 N 0.52 1.05 -0.77 2.58 3.38 -0.87 -2.13 115.31 119.07 1loz h LEU 12 Ca 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1loz h LEU 12 Cb 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1loz h LEU 12 CO 0.01 1.07 0.50 0.50 0.09 0.00 0.00 178.44 180.61 1loz h LYS 13 N 0.99 0.98 0.00 1.13 1.63 -1.18 -1.77 116.57 118.35 1loz h LYS 13 Ca 0.19 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1loz h LYS 13 Cb 0.50 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1loz h LYS 13 CO 0.02 0.65 -0.24 -0.09 -3.45 0.00 0.00 179.45 176.34 1loz h ARG 14 N 1.00 0.00 -0.14 1.90 2.43 -1.02 -2.43 114.38 116.12 1loz h ARG 14 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1loz h ARG 14 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1loz h ARG 14 CO -0.09 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 179.89 1loz n LEU 15 N -3.50 1.18 -0.14 3.80 4.32 -0.73 -4.92 117.00 117.01 1loz n LEU 15 Ca -0.00 -0.51 -0.01 0.00 -0.02 0.00 0.00 56.01 55.46 1loz n LEU 15 Cb 0.40 -0.09 -0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1loz n LEU 15 CO 0.33 0.26 -0.02 0.61 -1.22 0.00 0.00 177.39 177.35 1loz n GLY 16 N 1.00 0.36 0.13 -0.72 0.00 -0.91 -4.96 105.19 100.08 1loz n GLY 16 Ca 0.14 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.33 1loz n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1loz h MET 17 N 0.00 0.00 -6.05 1.61 2.86 -1.57 -3.41 114.93 108.37 1loz h MET 17 Ca -0.03 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.06 1loz h MET 17 Cb 0.80 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1loz h MET 17 CO 0.04 0.25 1.40 0.34 1.06 0.00 0.00 176.91 180.00 1loz s ASP 18 N -5.96 5.45 0.00 1.22 2.15 -1.26 -1.19 116.67 117.08 1loz s ASP 18 Ca 0.01 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1loz s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1loz s ASP 18 CO 0.77 -2.07 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1loz n GLY 19 N 5.64 0.69 3.67 2.66 0.00 0.16 -4.87 105.19 113.14 1loz n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1loz n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1loz n TYR 20 N -2.56 2.56 -2.83 1.61 9.36 -0.33 -1.76 117.16 123.21 1loz n TYR 20 Ca 0.00 -0.32 -0.18 0.00 3.32 0.00 0.00 57.90 60.71 1loz n TYR 20 Cb 0.00 -2.79 0.00 0.00 -0.63 0.00 0.00 39.34 35.92 1loz n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1loz n ARG 21 N 6.98 -3.06 -0.72 2.98 5.12 -1.26 -1.05 116.66 125.64 1loz n ARG 21 Ca 0.19 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1loz n ARG 21 Cb 0.40 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1loz n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1loz n GLY 22 N -1.08 0.77 3.61 -0.13 0.00 -0.72 -5.03 105.19 102.61 1loz n GLY 22 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1loz n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1loz s ILE 23 N -2.83 5.25 0.61 -0.61 1.01 -0.22 -4.89 121.20 119.52 1loz s ILE 23 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 1loz s ILE 23 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1loz s ILE 23 CO 0.00 0.22 1.10 -0.94 0.00 0.00 0.00 174.94 175.32 1loz s SER 24 N 1.60 5.43 0.34 3.58 1.04 -1.26 0.37 113.70 124.80 1loz s SER 24 Ca 0.11 1.99 0.05 0.00 0.48 0.00 0.00 55.95 58.58 1loz s SER 24 Cb -0.16 -2.55 0.68 0.00 0.10 0.00 0.00 66.02 64.09 1loz s SER 24 CO 0.10 -1.41 1.93 0.25 0.98 0.00 0.00 173.24 175.08 1loz h LEU 25 N 0.42 0.75 -1.34 2.42 5.85 -1.90 -1.09 115.31 120.42 1loz h LEU 25 Ca -0.48 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1loz h LEU 25 Cb 1.24 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1loz h LEU 25 CO 0.56 0.46 0.46 0.00 -0.34 0.00 0.00 178.44 179.58 1loz h ALA 26 N 1.57 1.53 -0.36 1.25 0.00 -1.92 0.44 119.26 121.77 1loz h ALA 26 Ca 0.36 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1loz h ALA 26 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1loz h ALA 26 CO -0.14 0.42 -0.17 -0.91 0.00 0.00 0.00 179.25 178.45 1loz h ASN 27 N 0.91 0.78 -0.87 0.00 2.35 -1.53 0.37 115.58 117.58 1loz h ASN 27 Ca 0.26 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1loz h ASN 27 Cb -0.06 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 1loz h ASN 27 CO -0.06 1.01 0.46 -0.50 -1.65 0.00 0.00 177.43 176.69 1loz h TRP 28 N 0.55 1.22 -0.51 1.19 -0.00 -0.97 -1.52 115.95 115.90 1loz h TRP 28 Ca 0.08 -0.04 -0.13 0.00 -0.00 0.00 0.00 58.89 58.81 1loz h TRP 28 Cb 0.71 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1loz h TRP 28 CO 0.06 0.86 -0.17 0.52 -0.00 0.00 0.00 178.44 179.70 1loz h MET 29 N 1.23 1.02 -0.74 0.49 2.86 -0.68 -1.52 114.93 117.59 1loz h MET 29 Ca 0.31 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1loz h MET 29 Cb 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1loz h MET 29 CO -0.05 1.10 0.43 0.00 1.06 0.00 0.00 176.91 179.45 1loz h LEU 31 N 1.01 0.22 -1.25 0.00 5.85 -1.07 -2.17 115.31 117.90 1loz h LEU 31 Ca 0.26 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1loz h LEU 31 Cb -0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1loz h LEU 31 CO -0.05 0.33 0.11 0.00 -0.34 0.00 0.00 178.44 178.49 1loz h ALA 32 N 0.90 1.40 -0.01 1.25 0.00 -1.15 0.96 119.26 122.61 1loz h ALA 32 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1loz h ALA 32 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1loz h ALA 32 CO -0.00 0.44 0.01 -0.22 0.00 0.00 0.00 179.25 179.47 1loz h LYS 33 N 0.61 0.02 0.00 0.00 3.11 -1.14 -0.37 116.57 118.79 1loz h LYS 33 Ca 0.14 -0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.82 1loz h LYS 33 Cb 0.22 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1loz h LYS 33 CO -0.00 0.15 -0.77 -1.49 -2.81 0.00 0.00 179.45 174.53 1loz h TRP 34 N -0.12 0.00 0.01 1.91 4.06 -1.29 -0.35 115.95 120.17 1loz h TRP 34 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1loz h TRP 34 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1loz h TRP 34 CO -0.03 0.77 -0.11 0.93 -3.56 0.00 0.00 178.44 176.44 1loz h GLU 35 N 0.00 0.06 0.00 0.49 4.39 -0.76 -3.42 114.58 115.33 1loz h GLU 35 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1loz h GLU 35 Cb 1.46 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1loz h GLU 35 CO 0.10 0.91 0.00 -1.13 -1.16 0.00 0.00 179.01 177.73 1loz n SER 36 N -4.60 0.26 -1.70 1.42 3.41 -0.23 -4.87 113.62 107.32 1loz n SER 36 Ca -0.10 -0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 57.74 1loz n SER 36 Cb 0.47 0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1loz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1loz n GLY 37 N 0.27 -0.19 2.40 5.00 0.00 -0.14 -2.69 105.19 109.83 1loz n GLY 37 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1loz n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1loz n TYR 38 N -4.03 -0.66 -3.72 1.61 4.01 -1.16 -4.77 117.16 108.43 1loz n TYR 38 Ca -0.15 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.22 1loz n TYR 38 Cb 0.62 -3.52 -0.12 0.00 -0.31 0.00 0.00 39.34 36.00 1loz n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1loz s ASN 39 N -2.32 5.28 0.45 7.72 2.47 -1.10 -1.19 114.94 126.24 1loz s ASN 39 Ca 0.00 -0.29 0.30 0.00 0.42 0.00 0.00 52.86 53.28 1loz s ASN 39 Cb 0.00 -1.95 1.17 0.00 -1.45 0.00 0.00 41.25 39.02 1loz s ASN 39 CO 0.00 -0.08 1.87 0.71 -3.72 0.00 0.00 177.10 175.88 1loz h THR 40 N 5.58 0.00 -0.00 -5.21 1.35 -1.44 -3.03 112.91 110.16 1loz h THR 40 Ca -0.36 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1loz h THR 40 Cb 1.17 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1loz h THR 40 CO 0.59 0.00 -0.32 0.54 -0.25 0.00 0.00 175.52 176.07 1loz n ARG 41 N -2.81 0.21 -1.68 4.72 1.74 -1.26 -4.09 116.66 113.49 1loz n ARG 41 Ca 0.01 -0.10 -0.50 0.00 -0.77 0.00 0.00 57.85 56.49 1loz n ARG 41 Cb 0.30 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 1loz n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1loz n ALA 42 N -1.30 0.63 -2.67 7.54 0.00 -1.15 -4.75 120.51 118.81 1loz n ALA 42 Ca 0.08 0.34 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1loz n ALA 42 Cb 0.33 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.24 1loz n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1loz s THR 43 N 3.42 0.91 -0.20 0.00 -4.23 -1.26 0.45 115.64 114.72 1loz s THR 43 Ca 0.92 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 1loz s THR 43 Cb -0.78 -0.82 0.07 0.00 1.34 0.00 0.00 72.50 72.31 1loz s THR 43 CO 0.53 0.06 0.11 0.21 -0.54 0.00 0.00 174.62 174.99 1loz s ASN 44 N -0.78 2.62 0.00 3.99 2.47 -0.10 -4.97 114.94 118.18 1loz s ASN 44 Ca 0.01 -0.78 -0.28 0.00 0.42 0.00 0.00 52.86 52.24 1loz s ASN 44 Cb -0.06 -0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.46 1loz s ASN 44 CO 0.00 -0.37 0.87 -0.47 -3.72 0.00 0.00 177.10 173.42 1loz s TYR 45 N 2.14 3.67 -0.69 0.43 5.04 -1.26 -0.39 117.35 126.29 1loz s TYR 45 Ca 0.04 1.56 -0.13 0.00 -2.44 0.00 0.00 57.07 56.11 1loz s TYR 45 Cb -0.16 -2.99 0.18 0.00 0.35 0.00 0.00 41.96 39.34 1loz s TYR 45 CO -0.17 0.08 0.61 -0.80 -1.34 0.00 0.00 175.55 173.93 1loz s ASN 46 N 0.67 6.30 0.41 4.32 0.01 0.73 -4.92 114.94 122.47 1loz s ASN 46 Ca 0.46 -2.38 0.12 0.00 -0.71 0.00 0.00 52.86 50.34 1loz s ASN 46 Cb -0.20 -2.14 0.95 0.00 0.41 0.00 0.00 41.25 40.26 1loz s ASN 46 CO 0.25 -0.64 1.97 0.00 -1.51 0.00 0.00 177.10 177.17 1loz h ALA 47 N 8.06 1.93 0.00 0.60 0.00 -1.95 0.56 119.26 128.45 1loz h ALA 47 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1loz h ALA 47 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1loz h ALA 47 CO 0.83 -0.06 -0.18 0.78 0.00 0.00 0.00 179.25 180.62 1loz h GLY 48 N 0.51 0.00 0.00 0.00 0.00 -1.96 -3.31 103.07 98.31 1loz h GLY 48 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1loz h GLY 48 CO -0.09 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.54 1loz n ASP 49 N -4.15 0.92 -1.35 0.19 5.75 -0.90 -5.04 116.55 111.97 1loz n ASP 49 Ca -0.02 -1.32 -0.13 0.00 -0.01 0.00 0.00 54.79 53.31 1loz n ASP 49 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 1loz n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1loz n ARG 50 N -0.16 -1.00 -4.57 0.11 1.74 0.14 -4.87 116.66 108.05 1loz n ARG 50 Ca 0.00 0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 57.52 1loz n ARG 50 Cb 0.23 -4.88 -0.11 0.00 -1.02 0.00 0.00 32.46 26.69 1loz n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1loz s SER 51 N -2.53 3.62 0.02 0.55 1.04 -1.19 -4.46 113.70 110.75 1loz s SER 51 Ca 0.00 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.13 1loz s SER 51 Cb 0.00 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1loz s SER 51 CO 0.00 -0.41 -0.07 -0.89 0.98 0.00 0.00 173.24 172.86 1loz s THR 52 N -2.77 0.51 -0.16 2.02 2.01 -1.26 -0.19 115.64 115.79 1loz s THR 52 Ca 0.34 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1loz s THR 52 Cb 0.08 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1loz s THR 52 CO 0.17 -0.09 0.11 -1.81 -0.69 0.00 0.00 174.62 172.31 1loz s ASP 53 N -0.77 6.06 -0.05 3.53 1.01 0.48 -1.43 116.67 125.49 1loz s ASP 53 Ca -0.03 0.26 0.06 0.00 0.71 0.00 0.00 52.55 53.56 1loz s ASP 53 Cb -0.06 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 1loz s ASP 53 CO 0.00 0.26 -0.25 -0.31 0.21 0.00 0.00 175.17 175.08 1loz s TYR 54 N -0.14 2.41 0.00 4.23 1.51 -0.07 -0.92 117.35 124.37 1loz s TYR 54 Ca 0.09 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1loz s TYR 54 Cb -0.12 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1loz s TYR 54 CO 0.01 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 1loz n GLY 55 N 2.89 -1.45 0.28 0.71 0.00 0.17 -1.76 105.19 106.03 1loz n GLY 55 Ca -0.17 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.64 1loz n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1loz h THR 56 N 0.00 0.29 -0.28 2.61 2.02 -1.71 -0.55 112.91 115.29 1loz h THR 56 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1loz h THR 56 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1loz h THR 56 CO 0.00 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1loz n PHE 57 N -5.42 0.35 -3.77 3.16 3.72 -1.26 -3.47 117.46 110.77 1loz n PHE 57 Ca 0.12 -0.18 -0.35 0.00 -0.05 0.00 0.00 57.45 56.99 1loz n PHE 57 Cb 0.43 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1loz n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1loz n GLN 58 N 1.07 -0.99 -2.73 -1.08 1.13 -0.22 -4.91 117.38 109.66 1loz n GLN 58 Ca 0.18 0.37 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 1loz n GLN 58 Cb 0.51 -3.77 -0.04 0.00 0.11 0.00 0.00 30.24 27.05 1loz n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1loz s ILE 59 N -3.47 4.53 0.13 5.09 1.01 -0.72 -4.48 121.20 123.29 1loz s ILE 59 Ca 0.48 2.07 -0.30 0.00 0.00 0.00 0.00 60.65 62.91 1loz s ILE 59 Cb -0.19 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.89 1loz s ILE 59 CO 0.89 0.30 1.07 0.21 0.00 0.00 0.00 174.94 177.41 1loz s ASN 60 N 0.08 7.31 0.00 3.58 3.84 -1.26 -0.89 114.94 127.60 1loz s ASN 60 Ca 0.47 1.97 0.22 0.00 0.21 0.00 0.00 52.86 55.74 1loz s ASN 60 Cb -0.23 -2.59 1.04 0.00 -0.55 0.00 0.00 41.25 38.91 1loz s ASN 60 CO 0.30 -0.21 1.72 -1.54 -2.79 0.00 0.00 177.10 174.58 1loz n SER 61 N 2.78 0.00 0.07 -4.21 3.41 -0.52 -1.64 113.62 113.53 1loz n SER 61 Ca 0.04 0.23 -0.19 0.00 -0.26 0.00 0.00 58.87 58.69 1loz n SER 61 Cb 0.47 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 1loz n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1loz h ARG 62 N 0.00 0.56 0.00 4.33 1.12 -1.85 -3.42 114.38 115.12 1loz h ARG 62 Ca 0.00 -0.68 0.00 0.00 -1.11 0.00 0.00 59.98 58.19 1loz h ARG 62 Cb 0.30 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1loz h ARG 62 CO 0.00 1.28 -0.81 0.66 -3.11 0.00 0.00 179.97 177.99 1loz n TYR 63 N -3.77 0.00 -0.11 2.20 4.01 -1.22 -0.43 117.16 117.84 1loz n TYR 63 Ca -0.11 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.46 1loz n TYR 63 Cb 0.93 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.86 1loz n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1loz n TRP 64 N -1.29 0.00 -4.30 -0.72 7.02 -0.65 -0.76 117.44 116.74 1loz n TRP 64 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1loz n TRP 64 Cb 0.06 -0.83 -0.10 0.00 -2.42 0.00 0.00 31.31 28.02 1loz n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1loz s ASN 66 N -3.25 5.72 0.00 0.00 2.47 -0.38 -4.43 114.94 115.08 1loz s ASN 66 Ca 0.21 -0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.51 1loz s ASN 66 Cb 0.02 -2.03 0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1loz s ASN 66 CO 0.04 0.04 0.63 -0.90 -3.72 0.00 0.00 177.10 173.19 1loz n ASP 67 N 4.47 1.32 0.00 -4.21 5.68 -1.26 -1.06 116.55 121.49 1loz n ASP 67 Ca -0.15 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1loz n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1loz n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1loz n GLY 68 N 0.14 1.45 0.00 6.12 0.00 -1.26 -4.82 105.19 106.83 1loz n GLY 68 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1loz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1loz n LYS 69 N -2.00 2.27 -3.78 1.61 2.85 -1.26 -5.01 118.16 112.84 1loz n LYS 69 Ca 0.00 -1.29 -0.36 0.00 -1.05 0.00 0.00 58.31 55.61 1loz n LYS 69 Cb 0.00 -0.89 -0.12 0.00 -0.65 0.00 0.00 35.03 33.37 1loz n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1loz s THR 70 N -0.80 4.42 0.29 0.58 2.01 -1.26 -4.93 115.64 115.95 1loz s THR 70 Ca 0.01 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1loz s THR 70 Cb 0.01 -3.06 -0.11 0.00 0.01 0.00 0.00 72.50 69.34 1loz s THR 70 CO 0.00 0.35 1.56 -2.84 -0.69 0.00 0.00 174.62 173.00 1loz s PRO 71 N 1.49 4.14 -1.06 4.92 0.02 -1.26 -2.79 135.00 140.46 1loz s PRO 71 Ca 0.06 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1loz s PRO 71 Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1loz s PRO 71 CO 0.04 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1loz n GLY 72 N 2.00 1.12 3.66 0.52 0.00 -1.26 -4.96 105.19 106.28 1loz n GLY 72 Ca 0.07 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1loz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loz n ALA 73 N 1.19 0.82 -0.08 4.61 0.00 -1.12 -4.86 120.51 121.07 1loz n ALA 73 Ca -0.10 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1loz n ALA 73 Cb 0.37 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 1loz n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1loz n VAL 74 N -0.45 1.00 -3.48 0.00 0.31 0.42 -4.97 118.33 111.16 1loz n VAL 74 Ca 0.08 -0.54 -0.18 0.00 -0.01 0.00 0.00 64.34 63.70 1loz n VAL 74 Cb 0.40 -0.79 0.08 0.00 -0.91 0.00 0.00 33.84 32.62 1loz n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1loz n ASN 75 N -2.69 -1.91 0.25 4.52 5.15 -1.17 -4.91 115.26 114.49 1loz n ASN 75 Ca -0.26 -0.65 0.07 0.00 -0.60 0.00 0.00 54.58 53.14 1loz n ASN 75 Cb 0.92 -4.95 0.61 0.00 -0.53 0.00 0.00 39.78 35.84 1loz n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1loz h ALA 76 N 0.90 1.94 -0.00 5.20 0.00 -0.85 -0.12 119.26 126.32 1loz h ALA 76 Ca -0.59 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1loz h ALA 76 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1loz h ALA 76 CO 0.51 0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 1loz n HIS 78 N -1.10 -1.88 -3.95 0.00 -0.00 -0.06 -4.98 115.22 103.25 1loz n HIS 78 Ca 0.12 0.66 -0.10 0.00 -0.00 0.00 0.00 57.72 58.40 1loz n HIS 78 Cb 0.30 -3.82 -0.11 0.00 -0.00 0.00 0.00 29.99 26.36 1loz n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1loz s LEU 79 N -6.58 2.09 0.34 2.41 1.43 -1.26 -5.07 118.68 112.04 1loz s LEU 79 Ca 0.23 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 1loz s LEU 79 Cb -0.07 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.23 1loz s LEU 79 CO 0.85 -0.27 1.01 -0.55 0.23 0.00 0.00 176.35 177.62 1loz s SER 80 N -1.23 7.12 0.55 2.29 0.15 -1.26 -1.25 113.70 120.07 1loz s SER 80 Ca -0.13 2.00 0.24 0.00 0.70 0.00 0.00 55.95 58.75 1loz s SER 80 Cb -0.08 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.18 1loz s SER 80 CO -0.00 -0.23 2.19 0.00 1.20 0.00 0.00 173.24 176.40 1loz h SER 82 N 0.00 0.45 0.13 0.00 0.87 -1.91 -1.78 113.55 111.32 1loz h SER 82 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1loz h SER 82 Cb 0.04 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1loz h SER 82 CO 0.00 0.30 -0.02 0.00 -0.53 0.00 0.00 176.83 176.57 1loz h ALA 83 N 1.70 1.27 -0.19 6.23 0.00 -1.32 -1.91 119.26 125.05 1loz h ALA 83 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1loz h ALA 83 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1loz h ALA 83 CO -0.07 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1loz n LEU 84 N -3.50 1.51 -0.56 0.00 4.77 -0.67 -3.72 117.00 114.84 1loz n LEU 84 Ca -0.03 -0.66 0.05 0.00 -0.03 0.00 0.00 56.01 55.34 1loz n LEU 84 Cb 0.12 -0.12 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1loz n LEU 84 CO 0.25 0.33 0.58 0.18 -1.33 0.00 0.00 177.39 177.40 1loz n LEU 85 N 0.24 2.65 -4.87 2.23 4.77 -0.72 -3.60 117.00 117.71 1loz n LEU 85 Ca 0.15 -1.79 -0.31 0.00 -0.03 0.00 0.00 56.01 54.03 1loz n LEU 85 Cb 0.29 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1loz n LEU 85 CO 0.11 0.64 0.73 -1.10 -1.33 0.00 0.00 177.39 176.44 1loz s GLN 86 N -0.97 3.18 0.24 3.23 -0.21 -1.24 -4.44 119.66 119.45 1loz s GLN 86 Ca 0.20 0.67 0.10 0.00 0.02 0.00 0.00 55.36 56.34 1loz s GLN 86 Cb 0.11 -2.04 0.23 0.00 1.00 0.00 0.00 33.01 32.30 1loz s GLN 86 CO 0.14 -0.85 1.53 -0.44 -2.12 0.00 0.00 175.29 173.55 1loz h ASP 87 N -0.53 0.00 -3.53 5.90 5.19 -1.93 -3.40 116.42 118.12 1loz h ASP 87 Ca -0.44 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.38 1loz h ASP 87 Cb 1.22 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.64 1loz h ASP 87 CO 0.62 0.69 0.74 0.21 -3.12 0.00 0.00 179.24 178.38 1loz s ASN 88 N -6.77 6.50 0.00 6.45 2.47 -1.26 -4.92 114.94 117.41 1loz s ASN 88 Ca -0.00 0.14 0.05 0.00 0.42 0.00 0.00 52.86 53.46 1loz s ASN 88 Cb 0.12 -2.49 0.18 0.00 -1.45 0.00 0.00 41.25 37.60 1loz s ASN 88 CO 0.77 -1.21 1.13 2.30 -3.72 0.00 0.00 177.10 176.38 1loz n ILE 89 N 6.55 0.12 -0.26 -5.21 -5.35 -1.26 -4.33 119.36 109.63 1loz n ILE 89 Ca 0.08 -0.13 0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1loz n ILE 89 Cb 0.49 0.05 0.15 0.00 -1.74 0.00 0.00 39.64 38.58 1loz n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1loz h ALA 90 N 3.23 1.06 -0.25 -1.28 0.00 -1.95 0.17 119.26 120.24 1loz h ALA 90 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1loz h ALA 90 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1loz h ALA 90 CO 0.00 0.03 -0.13 -0.44 0.00 0.00 0.00 179.25 178.71 1loz h ASP 91 N 0.70 0.55 -1.00 0.00 3.32 -1.86 -1.74 116.42 116.39 1loz h ASP 91 Ca 0.36 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1loz h ASP 91 Cb 0.34 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1loz h ASP 91 CO -0.25 0.84 0.65 0.00 -1.72 0.00 0.00 179.24 178.77 1loz h ALA 92 N 0.73 1.36 -0.46 3.45 0.00 -1.70 -0.96 119.26 121.67 1loz h ALA 92 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1loz h ALA 92 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1loz h ALA 92 CO 0.04 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.16 1loz h VAL 93 N 1.25 1.25 -0.13 0.00 2.07 -0.84 0.11 116.25 119.95 1loz h VAL 93 Ca 0.40 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1loz h VAL 93 Cb 0.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1loz h VAL 93 CO -0.13 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.61 1loz h ALA 94 N 0.94 1.45 0.04 1.67 0.00 -0.85 -1.76 119.26 120.75 1loz h ALA 94 Ca 0.14 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1loz h ALA 94 Cb 0.42 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1loz h ALA 94 CO 0.01 0.39 -0.97 0.00 0.00 0.00 0.00 179.25 178.68 1loz h ALA 96 N 0.33 1.76 -0.49 0.00 0.00 -0.54 -1.17 119.26 119.15 1loz h ALA 96 Ca -0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1loz h ALA 96 Cb 1.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1loz h ALA 96 CO 0.19 0.19 -0.12 0.87 0.00 0.00 0.00 179.25 180.38 1loz h LYS 97 N 0.21 0.91 -0.45 0.00 1.57 -1.23 -2.82 116.57 114.77 1loz h LYS 97 Ca 0.05 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1loz h LYS 97 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1loz h LYS 97 CO -0.00 0.98 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.76 1loz h ARG 98 N 0.81 0.80 -0.30 3.15 9.65 -1.11 -2.88 114.38 124.50 1loz h ARG 98 Ca 0.13 -0.26 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1loz h ARG 98 Cb 0.65 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1loz h ARG 98 CO 0.05 0.86 0.15 0.28 2.80 0.00 0.00 179.97 184.11 1loz h VAL 99 N 0.64 0.99 0.00 0.20 2.07 -1.13 -2.45 116.25 116.57 1loz h VAL 99 Ca 0.13 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1loz h VAL 99 Cb 0.51 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1loz h VAL 99 CO 0.02 0.06 0.00 1.33 0.02 0.00 0.00 177.57 179.00 1loz n VAL 100 N -4.96 0.23 1.53 2.57 0.24 -1.07 -2.35 118.33 114.51 1loz n VAL 100 Ca -0.01 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 1loz n VAL 100 Cb 0.07 -0.72 0.65 0.00 -1.47 0.00 0.00 33.84 32.37 1loz n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1loz n ARG 101 N -1.18 0.94 -1.93 7.34 1.74 -0.92 -4.23 116.66 118.42 1loz n ARG 101 Ca 0.12 -0.34 -0.29 0.00 -0.77 0.00 0.00 57.85 56.57 1loz n ARG 101 Cb 0.13 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1loz n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1loz s ASP 102 N -2.29 5.20 0.24 0.55 1.11 -0.99 -4.98 116.67 115.50 1loz s ASP 102 Ca 0.34 0.99 -0.06 0.00 0.18 0.00 0.00 52.55 54.00 1loz s ASP 102 Cb 0.21 -1.72 0.44 0.00 1.07 0.00 0.00 42.92 42.92 1loz s ASP 102 CO 0.43 -1.48 1.65 1.55 1.18 0.00 0.00 175.17 178.50 1loz h PRO 103 N -0.73 0.14 0.00 8.23 0.13 -1.89 -2.45 132.00 135.43 1loz h PRO 103 Ca -0.45 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1loz h PRO 103 Cb 1.27 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1loz h PRO 103 CO 0.64 0.09 -0.17 1.96 -0.23 0.00 0.00 178.00 180.30 1loz h GLN 104 N 0.14 0.00 0.00 0.86 7.50 -1.92 -3.49 115.11 118.21 1loz h GLN 104 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1loz h GLN 104 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.25 1loz h GLN 104 CO -0.61 0.17 0.00 0.41 -1.50 0.00 0.00 178.83 177.29 1loz n GLY 105 N -0.42 2.32 0.30 3.46 0.00 -0.93 -2.40 105.19 107.52 1loz n GLY 105 Ca -0.01 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.72 1loz n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1loz h ILE 106 N 0.00 0.06 0.00 -0.61 6.09 -1.92 -2.53 117.51 118.60 1loz h ILE 106 Ca 0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1loz h ILE 106 Cb 0.00 1.34 0.00 0.00 0.47 0.00 0.00 36.82 38.63 1loz h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1loz n ARG 107 N -3.14 0.01 0.27 2.19 1.74 -1.01 -2.14 116.66 114.59 1loz n ARG 107 Ca -0.01 0.35 0.16 0.00 -0.77 0.00 0.00 57.85 57.59 1loz n ARG 107 Cb 0.23 -1.53 0.91 0.00 -1.02 0.00 0.00 32.46 31.05 1loz n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1loz h ALA 108 N 2.30 1.58 -2.44 7.54 0.00 -1.60 -3.37 119.26 123.27 1loz h ALA 108 Ca 0.00 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1loz h ALA 108 Cb 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 1loz h ALA 108 CO 0.00 -0.10 -0.30 -1.58 0.00 0.00 0.00 179.25 177.27 1loz s TRP 109 N -4.60 3.20 0.26 0.00 0.51 -0.91 -4.95 118.94 112.45 1loz s TRP 109 Ca -0.05 -0.44 -0.03 0.00 -2.12 0.00 0.00 56.10 53.46 1loz s TRP 109 Cb 0.15 -2.76 0.39 0.00 -0.81 0.00 0.00 33.47 30.44 1loz s TRP 109 CO 0.53 -0.64 1.87 0.28 -0.51 0.00 0.00 176.95 178.48 1loz h VAL 110 N 5.68 1.06 -0.57 4.03 2.07 -1.88 -0.32 116.25 126.32 1loz h VAL 110 Ca -0.27 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 66.98 1loz h VAL 110 Cb 1.12 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1loz h VAL 110 CO 0.76 0.20 0.39 0.00 0.02 0.00 0.00 177.57 178.94 1loz h ALA 111 N 1.45 2.08 -0.18 1.67 0.00 -1.94 -0.25 119.26 122.10 1loz h ALA 111 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1loz h ALA 111 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1loz h ALA 111 CO -0.18 -0.22 0.05 2.35 0.00 0.00 0.00 179.25 181.25 1loz h TRP 112 N 0.34 0.29 -0.78 0.00 7.01 -1.37 -0.18 115.95 121.26 1loz h TRP 112 Ca 0.27 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.28 1loz h TRP 112 Cb 0.60 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.52 1loz h TRP 112 CO -0.00 0.39 0.48 0.00 -2.79 0.00 0.00 178.44 176.52 1loz h ARG 113 N 0.11 0.89 0.02 2.65 3.08 -1.10 0.33 114.38 120.36 1loz h ARG 113 Ca 0.06 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1loz h ARG 113 Cb 0.24 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.11 1loz h ARG 113 CO -0.00 0.59 -1.07 -0.91 -1.07 0.00 0.00 179.97 177.51 1loz h ASN 114 N 0.92 0.90 -0.01 7.04 2.35 -0.95 -3.38 115.58 122.45 1loz h ASN 114 Ca 0.32 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1loz h ASN 114 Cb 0.08 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1loz h ASN 114 CO -0.14 1.55 0.00 0.54 -1.65 0.00 0.00 177.43 177.73 1loz n ARG 115 N -3.86 -0.09 0.00 0.81 1.74 -0.09 -4.87 116.66 110.30 1loz n ARG 115 Ca -0.12 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1loz n ARG 115 Cb 0.90 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 1loz n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1loz n GLN 117 N -2.69 1.51 -1.59 0.00 7.27 -0.23 -0.82 117.38 120.82 1loz n GLN 117 Ca 0.00 0.54 -0.17 0.00 0.07 0.00 0.00 57.00 57.45 1loz n GLN 117 Cb 0.25 -2.24 -0.06 0.00 2.41 0.00 0.00 30.24 30.60 1loz n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1loz n ASN 118 N 3.28 -5.03 -4.75 1.69 5.03 -1.26 -4.95 115.26 109.27 1loz n ASN 118 Ca 0.19 0.36 -0.24 0.00 0.87 0.00 0.00 54.58 55.77 1loz n ASN 118 Cb 0.22 -4.03 -0.07 0.00 -1.02 0.00 0.00 39.78 34.88 1loz n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1loz s ARG 119 N -3.61 2.28 -0.65 3.52 0.52 -0.00 -5.06 118.95 115.95 1loz s ARG 119 Ca 0.00 -1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 53.22 1loz s ARG 119 Cb 0.00 -2.06 0.05 0.00 0.52 0.00 0.00 34.95 33.46 1loz s ARG 119 CO 0.00 -0.08 1.04 0.34 0.02 0.00 0.00 175.30 176.62 1loz s ASP 120 N -3.92 6.21 -0.13 0.23 2.15 -1.26 -4.83 116.67 115.12 1loz s ASP 120 Ca 0.41 -0.70 0.16 0.00 0.43 0.00 0.00 52.55 52.85 1loz s ASP 120 Cb 0.02 -2.46 0.61 0.00 -0.30 0.00 0.00 42.92 40.79 1loz s ASP 120 CO 0.23 -1.49 1.53 1.33 -0.17 0.00 0.00 175.17 176.60 1loz n VAL 121 N 6.11 1.94 -0.13 1.11 0.24 -1.26 -4.55 118.33 121.79 1loz n VAL 121 Ca -0.01 -1.38 0.01 0.00 -2.04 0.00 0.00 64.34 60.92 1loz n VAL 121 Cb 0.47 0.04 0.29 0.00 -1.47 0.00 0.00 33.84 33.16 1loz n VAL 121 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1loz h ARG 122 N 3.11 0.82 0.00 7.34 2.43 -1.93 -2.55 114.38 123.59 1loz h ARG 122 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1loz h ARG 122 Cb 1.40 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1loz h ARG 122 CO 0.23 0.58 0.09 -0.56 -1.51 0.00 0.00 179.97 178.80 1loz h GLN 123 N 0.83 0.00 0.00 0.20 -0.00 -1.97 -1.00 115.11 113.17 1loz h GLN 123 Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.76 1loz h GLN 123 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.44 1loz h GLN 123 CO -0.04 0.00 -0.51 1.88 -0.00 0.00 0.00 178.83 180.16 1loz h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.79 -3.23 116.97 112.05 1loz h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1loz h TYR 124 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1loz h TYR 124 CO 0.00 0.51 -0.25 0.28 -1.05 0.00 0.00 178.16 177.65 1loz n VAL 125 N -3.63 0.00 -1.68 -2.88 0.31 -0.46 -4.85 118.33 105.14 1loz n VAL 125 Ca -0.01 -0.37 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 1loz n VAL 125 Cb 0.58 1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 34.58 1loz n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1loz n GLN 126 N -0.40 2.74 -0.48 5.55 1.13 -0.74 -2.47 117.38 122.71 1loz n GLN 126 Ca 0.04 1.00 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 1loz n GLN 126 Cb 0.21 -2.90 0.00 0.00 0.11 0.00 0.00 30.24 27.66 1loz n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1loz n GLY 127 N 4.30 1.82 0.00 1.08 0.00 -1.26 -4.91 105.19 106.22 1loz n GLY 127 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1loz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loz n GLY 129 N 1.01 -0.24 0.00 0.00 0.00 -1.26 -4.81 105.19 99.89 1loz n GLY 129 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1loz n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87