#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oub s VAL 2 N 0.00 4.36 0.62 3.15 1.01 -1.26 -1.16 120.40 127.12 1oub s VAL 2 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 1oub s VAL 2 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1oub s VAL 2 CO 0.00 -0.48 1.13 -0.36 0.00 0.00 0.00 175.10 175.39 1oub s PHE 3 N 1.46 2.59 0.21 5.22 0.08 -0.42 -5.00 117.98 122.12 1oub s PHE 3 Ca 0.03 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.56 1oub s PHE 3 Cb -0.23 -3.25 -0.06 0.00 -0.57 0.00 0.00 43.02 38.91 1oub s PHE 3 CO 0.03 -1.74 0.49 -1.21 -0.10 0.00 0.00 175.22 172.69 1oub s GLU 4 N -3.77 3.71 0.04 0.44 2.02 -1.26 -4.86 118.70 115.02 1oub s GLU 4 Ca 0.70 0.11 -0.08 0.00 0.02 0.00 0.00 54.97 55.72 1oub s GLU 4 Cb -0.23 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 1oub s GLU 4 CO 0.36 0.35 1.14 -0.09 0.02 0.00 0.00 175.26 177.04 1oub h ARG 5 N 2.48 -0.04 -0.32 1.61 2.43 -1.96 -1.25 114.38 117.33 1oub h ARG 5 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1oub h ARG 5 Cb 1.17 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1oub h ARG 5 CO 0.70 -0.03 0.06 0.00 -1.51 0.00 0.00 179.97 179.19 1oub h GLU 7 N 0.47 0.79 -0.42 0.00 4.81 -1.84 -1.00 114.58 117.38 1oub h GLU 7 Ca 0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1oub h GLU 7 Cb 0.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1oub h GLU 7 CO -0.00 0.52 -0.13 1.25 -0.73 0.00 0.00 179.01 179.93 1oub h LEU 8 N 0.81 0.84 -0.46 1.64 5.85 -0.51 -2.12 115.31 121.36 1oub h LEU 8 Ca 0.27 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1oub h LEU 8 Cb 0.02 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1oub h LEU 8 CO -0.11 1.02 0.19 0.00 -0.34 0.00 0.00 178.44 179.20 1oub h ALA 9 N 0.85 0.56 -0.64 1.25 0.00 -0.81 0.12 119.26 120.59 1oub h ALA 9 Ca 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1oub h ALA 9 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1oub h ALA 9 CO 0.05 -0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.17 1oub h ARG 10 N 0.38 1.09 -0.32 0.00 3.08 -1.12 -2.18 114.38 115.31 1oub h ARG 10 Ca 0.21 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1oub h ARG 10 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1oub h ARG 10 CO -0.19 1.02 0.15 1.15 -1.07 0.00 0.00 179.97 181.04 1oub h THR 11 N 1.00 1.16 -0.87 2.04 2.02 -0.69 -2.27 112.91 115.29 1oub h THR 11 Ca 0.19 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1oub h THR 11 Cb 0.49 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1oub h THR 11 CO 0.02 0.17 0.47 -0.07 0.37 0.00 0.00 175.52 176.48 1oub h LEU 12 N 0.38 1.10 -0.70 2.58 3.38 -0.68 -1.90 115.31 119.48 1oub h LEU 12 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1oub h LEU 12 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1oub h LEU 12 CO -0.01 0.89 0.36 0.50 0.09 0.00 0.00 178.44 180.26 1oub h LYS 13 N 1.22 0.99 -0.06 1.13 3.64 -1.15 -2.09 116.57 120.25 1oub h LYS 13 Ca 0.31 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1oub h LYS 13 Cb 0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1oub h LYS 13 CO -0.05 0.76 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.59 1oub h ARG 14 N 0.96 0.11 -0.09 1.90 2.43 -1.00 -1.34 114.38 117.36 1oub h ARG 14 Ca 0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1oub h ARG 14 Cb 0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1oub h ARG 14 CO -0.03 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 1oub n LEU 15 N -4.24 0.80 -0.84 3.80 4.77 -0.75 -4.92 117.00 115.61 1oub n LEU 15 Ca -0.02 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.58 1oub n LEU 15 Cb 0.30 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1oub n LEU 15 CO 0.38 0.17 -0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1oub n GLY 16 N 0.93 0.40 0.12 -0.72 0.00 -0.50 -4.98 105.19 100.44 1oub n GLY 16 Ca 0.14 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.67 1oub n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1oub h MET 17 N -0.29 0.00 -6.22 1.61 2.86 -1.57 -3.41 114.93 107.91 1oub h MET 17 Ca -0.12 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.94 1oub h MET 17 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1oub h MET 17 CO 0.13 0.05 1.31 0.34 1.06 0.00 0.00 176.91 179.79 1oub s ASP 18 N -5.50 5.85 0.00 1.22 2.15 -1.26 -2.01 116.67 117.12 1oub s ASP 18 Ca -0.00 1.45 0.00 0.00 0.43 0.00 0.00 52.55 54.43 1oub s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1oub s ASP 18 CO 0.78 -1.72 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 1oub n GLY 19 N 5.44 0.53 3.66 2.66 0.00 0.44 -4.87 105.19 113.04 1oub n GLY 19 Ca 0.24 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1oub n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oub s TYR 20 N -2.00 1.42 -1.39 1.61 5.04 -0.85 -1.31 117.35 119.87 1oub s TYR 20 Ca 0.00 -0.32 -0.09 0.00 -2.44 0.00 0.00 57.07 54.22 1oub s TYR 20 Cb 0.00 -4.18 0.05 0.00 0.35 0.00 0.00 41.96 38.19 1oub s TYR 20 CO 0.00 -5.22 0.58 0.54 -1.34 0.00 0.00 175.55 170.11 1oub n ARG 21 N 7.47 -4.08 -0.86 4.97 5.12 -1.26 -0.98 116.66 127.04 1oub n ARG 21 Ca 0.19 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1oub n ARG 21 Cb 0.41 -5.39 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 1oub n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1oub n GLY 22 N -1.33 0.79 3.53 -0.13 0.00 -0.42 -5.00 105.19 102.61 1oub n GLY 22 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1oub n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oub s ILE 23 N -3.04 5.15 0.78 -0.61 1.01 -0.15 -4.89 121.20 119.44 1oub s ILE 23 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 1oub s ILE 23 Cb 0.00 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.65 1oub s ILE 23 CO 0.00 -0.19 1.14 -0.94 0.00 0.00 0.00 174.94 174.95 1oub s SER 24 N 1.75 4.14 0.21 3.58 1.04 -1.26 -0.42 113.70 122.74 1oub s SER 24 Ca 0.12 2.08 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 1oub s SER 24 Cb -0.17 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.66 1oub s SER 24 CO 0.12 -2.29 1.80 0.25 0.98 0.00 0.00 173.24 174.10 1oub h LEU 25 N -0.89 0.50 -2.24 2.42 5.85 -1.90 -2.02 115.31 117.03 1oub h LEU 25 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1oub h LEU 25 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1oub h LEU 25 CO 0.49 0.32 0.01 0.00 -0.34 0.00 0.00 178.44 178.91 1oub h ALA 26 N 1.37 1.77 -0.19 1.25 0.00 -1.92 -0.86 119.26 120.68 1oub h ALA 26 Ca 0.31 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 1oub h ALA 26 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1oub h ALA 26 CO -0.21 -0.01 -0.60 -0.91 0.00 0.00 0.00 179.25 177.52 1oub h ASN 27 N 0.00 0.85 -0.56 0.00 2.35 -1.69 -0.73 115.58 115.80 1oub h ASN 27 Ca 0.00 -0.59 -0.07 0.00 -0.55 0.00 0.00 56.30 55.09 1oub h ASN 27 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1oub h ASN 27 CO -0.00 1.30 0.09 -0.50 -1.65 0.00 0.00 177.43 176.67 1oub h TRP 28 N 0.45 1.03 -0.48 1.19 4.06 -1.12 -0.37 115.95 120.71 1oub h TRP 28 Ca -0.02 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 60.73 1oub h TRP 28 Cb 1.23 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1oub h TRP 28 CO 0.09 0.88 0.06 0.52 -3.56 0.00 0.00 178.44 176.43 1oub h MET 29 N 0.92 0.80 -0.56 0.49 2.86 -1.12 -0.08 114.93 118.24 1oub h MET 29 Ca 0.18 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1oub h MET 29 Cb 0.41 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1oub h MET 29 CO 0.01 0.82 0.33 0.00 1.06 0.00 0.00 176.91 179.13 1oub h LEU 31 N 0.75 -0.15 -1.00 0.00 5.85 -0.86 -2.06 115.31 117.84 1oub h LEU 31 Ca 0.20 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1oub h LEU 31 Cb -0.00 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1oub h LEU 31 CO -0.04 -0.09 0.66 0.00 -0.34 0.00 0.00 178.44 178.64 1oub h ALA 32 N 0.67 1.28 0.21 1.25 0.00 -0.82 -0.39 119.26 121.46 1oub h ALA 32 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1oub h ALA 32 Cb 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1oub h ALA 32 CO 0.03 0.64 -0.11 -0.22 0.00 0.00 0.00 179.25 179.59 1oub h LYS 33 N 1.34 -0.29 0.00 0.00 1.63 -0.83 -2.21 116.57 116.22 1oub h LYS 33 Ca 0.37 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.09 1oub h LYS 33 Cb -0.13 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1oub h LYS 33 CO -0.09 -0.19 -0.48 -1.49 -3.45 0.00 0.00 179.45 173.75 1oub h TRP 34 N -0.30 0.00 0.08 1.91 4.06 -1.24 -1.06 115.95 119.40 1oub h TRP 34 Ca -0.03 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.74 1oub h TRP 34 Cb 0.23 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.41 1oub h TRP 34 CO -0.07 0.48 -0.78 0.93 -3.56 0.00 0.00 178.44 175.44 1oub h GLU 35 N 0.00 0.38 0.00 0.49 4.39 -1.06 -3.43 114.58 115.35 1oub h GLU 35 Ca -0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1oub h GLU 35 Cb 1.27 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1oub h GLU 35 CO 0.06 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1oub n SER 36 N -4.12 0.01 -0.72 1.42 3.41 -0.87 -4.84 113.62 107.91 1oub n SER 36 Ca -0.12 -0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.27 1oub n SER 36 Cb 0.78 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1oub n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oub n GLY 37 N 0.22 0.20 2.31 5.00 0.00 -0.40 -3.16 105.19 109.37 1oub n GLY 37 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 1oub n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oub n TYR 38 N -3.88 -0.65 -3.76 1.61 0.53 -1.15 -4.78 117.16 105.07 1oub n TYR 38 Ca -0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.46 1oub n TYR 38 Cb 0.54 -3.14 -0.13 0.00 -1.03 0.00 0.00 39.34 35.59 1oub n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1oub s ASN 39 N -2.37 5.06 0.52 7.72 2.47 -1.19 -1.30 114.94 125.86 1oub s ASN 39 Ca 0.00 -0.35 0.31 0.00 0.42 0.00 0.00 52.86 53.25 1oub s ASN 39 Cb 0.00 -1.90 1.14 0.00 -1.45 0.00 0.00 41.25 39.04 1oub s ASN 39 CO 0.00 -0.07 1.90 0.71 -3.72 0.00 0.00 177.10 175.92 1oub h THR 40 N 5.63 0.03 -0.18 -5.21 1.35 -1.46 -3.18 112.91 109.89 1oub h THR 40 Ca -0.37 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1oub h THR 40 Cb 1.16 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1oub h THR 40 CO 0.59 0.01 0.00 -2.11 -0.25 0.00 0.00 175.52 173.76 1oub n ARG 41 N -3.11 2.28 -1.77 4.72 -4.01 -1.26 -4.05 116.66 109.46 1oub n ARG 41 Ca 0.01 -1.89 -0.42 0.00 -1.04 0.00 0.00 57.85 54.51 1oub n ARG 41 Cb 0.36 -1.48 -0.02 0.00 -3.04 0.00 0.00 32.46 28.28 1oub n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1oub s ALA 42 N -1.79 3.80 0.04 2.89 0.00 -1.21 -4.78 121.76 120.71 1oub s ALA 42 Ca 0.33 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.89 1oub s ALA 42 Cb 0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1oub s ALA 42 CO 0.31 -0.96 -0.09 0.95 0.00 0.00 0.00 175.76 175.97 1oub s THR 43 N 0.35 0.65 -0.12 0.00 -4.23 -1.26 -0.65 115.64 110.38 1oub s THR 43 Ca 0.67 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1oub s THR 43 Cb -0.48 -0.68 0.06 0.00 1.34 0.00 0.00 72.50 72.74 1oub s THR 43 CO 0.43 -0.29 0.16 0.21 -0.54 0.00 0.00 174.62 174.59 1oub s ASN 44 N -1.46 1.13 -0.02 3.99 2.47 -0.46 -4.96 114.94 115.62 1oub s ASN 44 Ca -0.07 0.07 -0.23 0.00 0.42 0.00 0.00 52.86 53.04 1oub s ASN 44 Cb -0.09 0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 1oub s ASN 44 CO 0.01 -0.28 0.70 -0.47 -3.72 0.00 0.00 177.10 173.34 1oub s TYR 45 N 2.28 3.64 -0.64 0.43 6.04 -1.26 -0.45 117.35 127.39 1oub s TYR 45 Ca 0.04 1.31 -0.10 0.00 0.04 0.00 0.00 57.07 58.36 1oub s TYR 45 Cb -0.13 -2.77 0.17 0.00 -1.04 0.00 0.00 41.96 38.18 1oub s TYR 45 CO -0.08 0.19 0.53 -0.80 -1.54 0.00 0.00 175.55 173.86 1oub s ASN 46 N 0.37 6.00 0.38 4.32 0.01 -0.11 -4.93 114.94 120.97 1oub s ASN 46 Ca 0.37 -2.42 0.14 0.00 -0.71 0.00 0.00 52.86 50.23 1oub s ASN 46 Cb -0.19 -2.06 0.98 0.00 0.41 0.00 0.00 41.25 40.40 1oub s ASN 46 CO 0.19 -0.58 1.80 0.00 -1.51 0.00 0.00 177.10 177.01 1oub h ALA 47 N 7.88 2.05 -0.99 0.60 0.00 -1.96 -0.46 119.26 126.38 1oub h ALA 47 Ca -0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1oub h ALA 47 Cb 1.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1oub h ALA 47 CO 0.80 -0.40 0.64 0.78 0.00 0.00 0.00 179.25 181.08 1oub h GLY 48 N 0.52 1.47 0.00 0.00 0.00 -1.95 -3.30 103.07 99.81 1oub h GLY 48 Ca 0.54 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1oub h GLY 48 CO -0.28 0.37 0.00 2.09 0.00 0.00 0.00 176.54 178.72 1oub n ASP 49 N -4.49 1.27 -1.55 0.19 5.75 -1.07 -5.03 116.55 111.62 1oub n ASP 49 Ca 0.14 -1.59 -0.16 0.00 -0.01 0.00 0.00 54.79 53.18 1oub n ASP 49 Cb 0.14 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1oub n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1oub n ARG 50 N -0.29 -1.19 -3.84 0.11 1.74 -0.21 -4.79 116.66 108.19 1oub n ARG 50 Ca 0.00 0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 1oub n ARG 50 Cb 0.30 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.53 1oub n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1oub s SER 51 N -2.51 5.11 0.02 0.55 1.04 -1.22 -4.47 113.70 112.21 1oub s SER 51 Ca 0.00 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1oub s SER 51 Cb 0.00 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 1oub s SER 51 CO 0.00 -0.39 -0.11 -0.89 0.98 0.00 0.00 173.24 172.82 1oub s THR 52 N -2.36 0.90 -0.18 2.02 2.01 -1.26 -0.93 115.64 115.84 1oub s THR 52 Ca 0.41 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1oub s THR 52 Cb -0.04 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1oub s THR 52 CO 0.26 0.07 0.25 -1.81 -0.69 0.00 0.00 174.62 172.69 1oub s ASP 53 N -0.76 6.36 -0.09 3.53 1.01 0.41 -1.35 116.67 125.77 1oub s ASP 53 Ca 0.01 0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.72 1oub s ASP 53 Cb -0.06 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1oub s ASP 53 CO 0.00 0.11 -0.22 -0.31 0.21 0.00 0.00 175.17 174.97 1oub s TYR 54 N 0.52 2.58 0.00 4.23 2.02 -0.01 -1.36 117.35 125.34 1oub s TYR 54 Ca 0.14 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1oub s TYR 54 Cb -0.13 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1oub s TYR 54 CO 0.02 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1oub n GLY 55 N 3.29 -1.55 0.37 0.71 0.00 0.18 -1.68 105.19 106.51 1oub n GLY 55 Ca -0.18 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1oub n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oub h ILE 56 N 0.00 0.85 -0.32 -0.61 2.10 -1.69 -0.59 117.51 117.25 1oub h ILE 56 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1oub h ILE 56 Cb 0.00 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.13 1oub h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1oub n PHE 57 N -4.47 0.41 -3.83 2.19 0.99 -1.26 -4.05 117.46 107.44 1oub n PHE 57 Ca 0.12 -0.25 -0.34 0.00 -0.00 0.00 0.00 57.45 56.98 1oub n PHE 57 Cb 0.45 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.95 1oub n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1oub n GLN 58 N 1.19 -1.30 -2.67 -1.08 1.13 -0.23 -4.91 117.38 109.52 1oub n GLN 58 Ca 0.16 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.16 1oub n GLN 58 Cb 0.52 -3.80 -0.04 0.00 0.11 0.00 0.00 30.24 27.04 1oub n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oub s ILE 59 N -3.57 4.44 0.07 5.09 1.01 -0.67 -4.43 121.20 123.14 1oub s ILE 59 Ca 0.40 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1oub s ILE 59 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1oub s ILE 59 CO 0.89 0.26 0.95 0.21 0.00 0.00 0.00 174.94 177.26 1oub s ASN 60 N 0.27 7.44 0.09 3.58 3.84 -1.26 -0.83 114.94 128.06 1oub s ASN 60 Ca 0.49 1.73 0.16 0.00 0.21 0.00 0.00 52.86 55.45 1oub s ASN 60 Cb -0.24 -2.57 0.69 0.00 -0.55 0.00 0.00 41.25 38.57 1oub s ASN 60 CO 0.30 -0.12 1.50 -1.54 -2.79 0.00 0.00 177.10 174.46 1oub n SER 61 N 3.11 0.22 0.05 -4.21 3.41 -0.46 -2.01 113.62 113.72 1oub n SER 61 Ca 0.03 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1oub n SER 61 Cb 0.50 -0.60 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1oub n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1oub h ARG 62 N 0.00 0.39 0.00 4.33 2.43 -1.83 -3.40 114.38 116.30 1oub h ARG 62 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1oub h ARG 62 Cb 0.25 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1oub h ARG 62 CO 0.00 0.91 -0.84 0.66 -1.51 0.00 0.00 179.97 179.18 1oub n TYR 63 N -3.88 0.00 -0.12 2.20 4.02 -1.20 0.07 117.16 118.25 1oub n TYR 63 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 1oub n TYR 63 Cb 0.66 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.86 1oub n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1oub n TRP 64 N -1.63 0.07 -4.25 -0.72 7.02 -0.85 -0.54 117.44 116.53 1oub n TRP 64 Ca 0.00 0.01 -0.14 0.00 -1.02 0.00 0.00 57.50 56.36 1oub n TRP 64 Cb 0.30 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.08 1oub n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1oub s ASN 66 N -3.18 5.56 0.00 0.00 2.47 -0.07 -4.56 114.94 115.17 1oub s ASN 66 Ca 0.22 -0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.47 1oub s ASN 66 Cb 0.05 -2.00 0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1oub s ASN 66 CO 0.03 0.03 0.57 -0.90 -3.72 0.00 0.00 177.10 173.11 1oub n ASP 67 N 4.52 1.18 0.00 -4.21 5.75 -1.26 -1.11 116.55 121.41 1oub n ASP 67 Ca -0.16 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 1oub n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1oub n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oub n GLY 68 N 0.10 2.10 0.70 6.12 0.00 -1.26 -4.72 105.19 108.23 1oub n GLY 68 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1oub n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1oub n LYS 69 N -1.59 1.45 -3.18 1.61 2.85 -1.26 -4.93 118.16 113.12 1oub n LYS 69 Ca 0.00 -1.56 -0.40 0.00 -1.05 0.00 0.00 58.31 55.30 1oub n LYS 69 Cb 0.00 -1.34 -0.06 0.00 -0.65 0.00 0.00 35.03 32.98 1oub n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1oub s THR 70 N -1.43 5.06 0.37 0.58 2.01 -1.26 -4.98 115.64 115.98 1oub s THR 70 Ca 0.21 1.07 -0.28 0.00 0.31 0.00 0.00 61.69 63.00 1oub s THR 70 Cb 0.15 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 1oub s THR 70 CO 0.22 0.14 1.35 -2.84 -0.69 0.00 0.00 174.62 172.79 1oub s PRO 71 N 1.83 4.16 -1.67 4.92 0.02 -1.26 -3.54 135.00 139.46 1oub s PRO 71 Ca 0.26 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.41 1oub s PRO 71 Cb -0.16 -2.94 0.13 0.00 0.02 0.00 0.00 34.50 31.56 1oub s PRO 71 CO 0.10 -0.37 0.66 0.41 -0.33 0.00 0.00 177.00 177.47 1oub n GLY 72 N 0.68 -0.39 3.95 0.52 0.00 -1.26 -4.94 105.19 103.76 1oub n GLY 72 Ca 0.01 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1oub n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oub s ALA 73 N -3.46 3.89 0.44 4.61 0.00 -1.23 -5.00 121.76 121.02 1oub s ALA 73 Ca 0.59 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1oub s ALA 73 Cb -0.33 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1oub s ALA 73 CO 0.94 0.29 0.01 0.14 0.00 0.00 0.00 175.76 177.14 1oub s VAL 74 N -1.96 1.72 -0.46 0.00 -7.23 0.11 -5.00 120.40 107.58 1oub s VAL 74 Ca 0.36 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1oub s VAL 74 Cb -0.10 -2.72 0.22 0.00 0.56 0.00 0.00 36.38 34.35 1oub s VAL 74 CO 0.30 0.00 0.52 -3.20 -0.31 0.00 0.00 175.10 172.41 1oub n ASN 75 N -1.08 0.87 -0.17 4.85 5.15 -1.24 -3.80 115.26 119.84 1oub n ASN 75 Ca -0.10 -2.79 0.01 0.00 -0.60 0.00 0.00 54.58 51.10 1oub n ASN 75 Cb 0.67 -0.63 0.27 0.00 -0.53 0.00 0.00 39.78 39.56 1oub n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oub h ALA 76 N 4.53 1.49 -0.00 5.20 0.00 -0.78 -1.05 119.26 128.65 1oub h ALA 76 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oub h ALA 76 Cb 0.84 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oub h ALA 76 CO 0.53 0.46 -0.05 0.00 0.00 0.00 0.00 179.25 180.18 1oub n HIS 78 N -1.22 -1.89 -3.94 0.00 -0.00 -0.40 -4.98 115.22 102.79 1oub n HIS 78 Ca 0.13 0.56 -0.09 0.00 -0.00 0.00 0.00 57.72 58.32 1oub n HIS 78 Cb 0.27 -3.62 -0.10 0.00 -0.00 0.00 0.00 29.99 26.54 1oub n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1oub s LEU 79 N -6.52 1.89 0.37 2.41 1.43 -1.26 -5.06 118.68 111.93 1oub s LEU 79 Ca 0.35 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1oub s LEU 79 Cb -0.12 0.50 -0.09 0.00 0.03 0.00 0.00 46.19 46.51 1oub s LEU 79 CO 0.85 -0.46 1.01 -0.55 0.23 0.00 0.00 176.35 177.43 1oub s SER 80 N -1.97 6.98 0.51 2.29 0.15 -1.26 -0.89 113.70 119.51 1oub s SER 80 Ca -0.07 1.95 0.34 0.00 0.70 0.00 0.00 55.95 58.87 1oub s SER 80 Cb -0.03 -2.58 1.71 0.00 -1.71 0.00 0.00 66.02 63.41 1oub s SER 80 CO -0.03 -0.33 2.03 0.00 1.20 0.00 0.00 173.24 176.11 1oub h SER 82 N 0.00 0.57 0.21 0.00 0.87 -1.90 -2.11 113.55 111.18 1oub h SER 82 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1oub h SER 82 Cb 0.18 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1oub h SER 82 CO 0.00 0.42 -0.03 0.00 -0.53 0.00 0.00 176.83 176.69 1oub h ALA 83 N 1.68 1.21 -0.22 6.23 0.00 -1.67 -0.57 119.26 125.92 1oub h ALA 83 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1oub h ALA 83 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1oub h ALA 83 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1oub n LEU 84 N -3.42 1.47 -0.31 0.00 4.77 -0.79 -3.60 117.00 115.12 1oub n LEU 84 Ca -0.02 -0.68 0.03 0.00 -0.03 0.00 0.00 56.01 55.30 1oub n LEU 84 Cb 0.14 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1oub n LEU 84 CO 0.25 0.34 0.56 0.18 -1.33 0.00 0.00 177.39 177.40 1oub n LEU 85 N 0.24 2.46 -4.87 2.23 4.77 -0.22 -3.40 117.00 118.22 1oub n LEU 85 Ca 0.13 -2.02 -0.30 0.00 -0.03 0.00 0.00 56.01 53.79 1oub n LEU 85 Cb 0.26 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1oub n LEU 85 CO 0.09 0.61 0.74 -1.10 -1.33 0.00 0.00 177.39 176.41 1oub s GLN 86 N -1.03 2.68 0.13 3.23 -0.21 -1.24 -4.56 119.66 118.67 1oub s GLN 86 Ca 0.12 0.50 0.01 0.00 0.02 0.00 0.00 55.36 56.01 1oub s GLN 86 Cb 0.06 -2.00 -0.11 0.00 1.00 0.00 0.00 33.01 31.96 1oub s GLN 86 CO 0.08 -1.17 1.30 -0.44 -2.12 0.00 0.00 175.29 172.94 1oub h ASP 87 N -0.75 0.26 -3.07 5.90 5.19 -1.93 -3.42 116.42 118.60 1oub h ASP 87 Ca -0.45 -0.24 -0.58 0.00 -0.62 0.00 0.00 57.03 55.14 1oub h ASP 87 Cb 1.26 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.63 1oub h ASP 87 CO 0.63 1.10 0.81 0.21 -3.12 0.00 0.00 179.24 178.87 1oub s ASN 88 N -6.95 7.07 -0.01 6.45 3.84 -1.26 -4.92 114.94 119.16 1oub s ASN 88 Ca -0.03 1.40 0.10 0.00 0.21 0.00 0.00 52.86 54.55 1oub s ASN 88 Cb 0.09 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.57 1oub s ASN 88 CO 0.84 -0.69 1.24 2.30 -2.79 0.00 0.00 177.10 178.00 1oub n ILE 89 N 5.35 0.55 -0.11 -5.21 -5.35 -1.26 -4.50 119.36 108.83 1oub n ILE 89 Ca 0.12 -0.49 -0.05 0.00 -0.27 0.00 0.00 62.75 62.07 1oub n ILE 89 Cb 0.46 0.17 0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1oub n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oub h ALA 90 N 3.57 0.32 -0.45 -1.28 0.00 -1.95 0.12 119.26 119.59 1oub h ALA 90 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1oub h ALA 90 Cb 0.54 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1oub h ALA 90 CO 0.02 -0.42 -0.23 -0.44 0.00 0.00 0.00 179.25 178.18 1oub h ASP 91 N 0.07 0.96 -0.61 0.00 3.45 -1.87 -1.48 116.42 116.94 1oub h ASP 91 Ca 0.19 -0.36 -0.03 0.00 0.43 0.00 0.00 57.03 57.25 1oub h ASP 91 Cb 0.27 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 1oub h ASP 91 CO -0.34 1.14 0.28 0.00 -1.57 0.00 0.00 179.24 178.76 1oub h ALA 92 N 0.92 1.30 -0.20 3.45 0.00 -1.66 -1.17 119.26 121.90 1oub h ALA 92 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1oub h ALA 92 Cb 0.80 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1oub h ALA 92 CO 0.07 0.53 -0.20 0.28 0.00 0.00 0.00 179.25 179.92 1oub h VAL 93 N 0.91 1.33 -0.66 0.00 2.07 -0.81 -0.73 116.25 118.37 1oub h VAL 93 Ca 0.22 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1oub h VAL 93 Cb 0.13 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1oub h VAL 93 CO -0.02 0.42 0.41 0.00 0.02 0.00 0.00 177.57 178.39 1oub h ALA 94 N 0.64 1.49 -0.23 1.67 0.00 -0.99 -0.28 119.26 121.56 1oub h ALA 94 Ca 0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1oub h ALA 94 Cb 0.75 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1oub h ALA 94 CO 0.05 0.46 -0.66 0.00 0.00 0.00 0.00 179.25 179.09 1oub h ALA 96 N 0.62 1.45 -0.61 0.00 0.00 -0.44 -1.21 119.26 119.06 1oub h ALA 96 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1oub h ALA 96 Cb 1.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1oub h ALA 96 CO 0.14 0.48 0.19 0.87 0.00 0.00 0.00 179.25 180.93 1oub h LYS 97 N 0.93 0.93 -0.36 0.00 1.57 -0.95 -1.71 116.57 116.98 1oub h LYS 97 Ca 0.24 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1oub h LYS 97 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1oub h LYS 97 CO -0.05 0.80 0.07 -0.09 -0.57 0.00 0.00 179.45 179.62 1oub h ARG 98 N 0.90 0.58 -0.41 3.15 9.65 -0.98 -1.95 114.38 125.32 1oub h ARG 98 Ca 0.20 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1oub h ARG 98 Cb 0.27 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1oub h ARG 98 CO -0.01 0.64 0.26 0.28 2.80 0.00 0.00 179.97 183.94 1oub h VAL 99 N 0.43 1.07 0.00 0.20 2.07 -0.95 -2.24 116.25 116.83 1oub h VAL 99 Ca 0.11 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1oub h VAL 99 Cb 0.33 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1oub h VAL 99 CO 0.00 0.09 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 1oub h ALA 100 N 1.17 1.36 0.00 1.67 0.00 -1.15 -1.87 119.26 120.44 1oub h ALA 100 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1oub h ALA 100 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oub h ALA 100 CO -0.06 0.13 0.00 -2.13 0.00 0.00 0.00 179.25 177.19 1oub n ARG 101 N -3.73 0.20 -1.56 0.00 0.63 -0.75 -4.06 116.66 107.39 1oub n ARG 101 Ca -0.02 0.42 -0.31 0.00 -0.92 0.00 0.00 57.85 57.03 1oub n ARG 101 Cb 0.21 -1.88 0.07 0.00 0.45 0.00 0.00 32.46 31.31 1oub n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1oub s ASP 102 N -4.27 5.03 0.37 6.15 -0.00 -0.70 -4.93 116.67 118.32 1oub s ASP 102 Ca 0.04 1.50 0.15 0.00 -0.00 0.00 0.00 52.55 54.24 1oub s ASP 102 Cb 0.09 -2.32 1.02 0.00 -0.00 0.00 0.00 42.92 41.72 1oub s ASP 102 CO 0.40 -1.65 1.76 -0.65 -0.00 0.00 0.00 175.17 175.02 1oub h PRO 103 N -0.86 0.45 0.00 8.23 0.11 -1.87 -1.35 132.00 136.71 1oub h PRO 103 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1oub h PRO 103 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1oub h PRO 103 CO 0.58 0.30 -0.38 1.96 -0.21 0.00 0.00 178.00 180.25 1oub h GLN 104 N 0.46 0.00 0.00 1.05 4.20 -1.90 -3.49 115.11 115.44 1oub h GLN 104 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1oub h GLN 104 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 1oub h GLN 104 CO -0.36 0.38 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1oub n GLY 105 N 0.37 2.23 0.29 3.46 0.00 -0.51 -1.90 105.19 109.12 1oub n GLY 105 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 46.02 45.77 1oub n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oub h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.54 117.51 118.56 1oub h ILE 106 Ca 0.00 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1oub h ILE 106 Cb 0.00 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1oub h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1oub n ARG 107 N -3.05 0.06 0.29 2.19 1.74 -0.80 -2.75 116.66 114.34 1oub n ARG 107 Ca -0.00 0.32 0.14 0.00 -0.77 0.00 0.00 57.85 57.54 1oub n ARG 107 Cb 0.24 -1.61 0.87 0.00 -1.02 0.00 0.00 32.46 30.94 1oub n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oub h ALA 108 N 2.40 1.62 -2.44 7.54 0.00 -1.59 -3.37 119.26 123.42 1oub h ALA 108 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1oub h ALA 108 Cb 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 1oub h ALA 108 CO 0.00 -0.02 -0.22 -1.58 0.00 0.00 0.00 179.25 177.43 1oub s TRP 109 N -4.70 3.18 0.42 0.00 0.51 -1.11 -4.94 118.94 112.30 1oub s TRP 109 Ca -0.05 -0.24 0.08 0.00 -2.12 0.00 0.00 56.10 53.77 1oub s TRP 109 Cb 0.15 -2.83 0.91 0.00 -0.81 0.00 0.00 33.47 30.89 1oub s TRP 109 CO 0.57 -0.61 2.07 0.28 -0.51 0.00 0.00 176.95 178.74 1oub h VAL 110 N 5.67 1.09 -0.68 4.03 2.07 -1.89 -0.67 116.25 125.87 1oub h VAL 110 Ca -0.27 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1oub h VAL 110 Cb 1.12 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1oub h VAL 110 CO 0.76 0.09 0.45 0.00 0.02 0.00 0.00 177.57 178.89 1oub h ALA 111 N 1.77 1.85 -0.53 1.67 0.00 -1.93 -0.83 119.26 121.26 1oub h ALA 111 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1oub h ALA 111 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1oub h ALA 111 CO -0.03 0.01 0.22 2.35 0.00 0.00 0.00 179.25 181.81 1oub h TRP 112 N 0.59 0.79 -0.79 0.00 7.01 -1.43 -0.47 115.95 121.66 1oub h TRP 112 Ca 0.31 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1oub h TRP 112 Cb 0.42 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 1oub h TRP 112 CO -0.00 0.64 0.43 0.00 -2.79 0.00 0.00 178.44 176.72 1oub h ARG 113 N 0.71 1.11 -0.06 2.65 3.08 -1.16 0.11 114.38 120.83 1oub h ARG 113 Ca 0.18 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1oub h ARG 113 Cb 0.18 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1oub h ARG 113 CO -0.02 0.82 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.73 1oub h ASN 114 N 1.10 0.16 0.00 7.04 2.35 -1.02 -3.35 115.58 121.86 1oub h ASN 114 Ca 0.28 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1oub h ASN 114 Cb 0.04 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1oub h ASN 114 CO -0.04 0.63 -1.23 0.54 -1.65 0.00 0.00 177.43 175.68 1oub n ARG 115 N -4.72 1.03 0.00 0.81 5.12 -0.21 -4.82 116.66 113.86 1oub n ARG 115 Ca -0.08 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1oub n ARG 115 Cb 0.31 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1oub n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1oub n GLN 117 N -2.33 2.40 -1.73 0.00 7.27 -0.36 -2.27 117.38 120.36 1oub n GLN 117 Ca 0.00 0.86 -0.19 0.00 0.07 0.00 0.00 57.00 57.74 1oub n GLN 117 Cb 0.49 -2.59 -0.07 0.00 2.41 0.00 0.00 30.24 30.48 1oub n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1oub n ASN 118 N 2.39 -5.10 -4.75 1.69 5.03 -1.26 -4.97 115.26 108.29 1oub n ASN 118 Ca 0.11 0.38 -0.23 0.00 0.87 0.00 0.00 54.58 55.70 1oub n ASN 118 Cb 0.34 -4.48 -0.06 0.00 -1.02 0.00 0.00 39.78 34.55 1oub n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1oub s ARG 119 N -3.91 2.35 -0.78 3.52 0.52 -0.96 -5.05 118.95 114.63 1oub s ARG 119 Ca 0.00 -1.61 -0.23 0.00 -0.52 0.00 0.00 55.73 53.37 1oub s ARG 119 Cb 0.00 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 33.39 1oub s ARG 119 CO 0.00 0.03 1.15 0.34 0.02 0.00 0.00 175.30 176.84 1oub s ASP 120 N -3.89 6.30 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.12 1oub s ASP 120 Ca 0.39 -1.10 0.19 0.00 -0.52 0.00 0.00 52.55 51.51 1oub s ASP 120 Cb -0.01 -2.48 0.58 0.00 -1.46 0.00 0.00 42.92 39.55 1oub s ASP 120 CO 0.23 -1.49 1.45 1.33 0.52 0.00 0.00 175.17 177.21 1oub n VAL 121 N 6.12 0.36 -0.31 1.11 0.24 -1.26 -4.40 118.33 120.20 1oub n VAL 121 Ca 0.09 -0.47 0.07 0.00 -2.04 0.00 0.00 64.34 61.98 1oub n VAL 121 Cb 0.48 0.43 0.28 0.00 -1.47 0.00 0.00 33.84 33.57 1oub n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1oub h ARG 122 N 2.63 0.89 -0.80 7.34 3.08 -1.92 -2.61 114.38 122.99 1oub h ARG 122 Ca 0.00 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.23 1oub h ARG 122 Cb 0.58 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1oub h ARG 122 CO 0.00 0.59 0.63 -0.56 -1.07 0.00 0.00 179.97 179.56 1oub h GLN 123 N 0.92 0.00 0.00 0.04 3.07 -1.97 -1.72 115.11 115.45 1oub h GLN 123 Ca 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.11 1oub h GLN 123 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 1oub h GLN 123 CO -0.20 0.00 -0.34 1.88 0.09 0.00 0.00 178.83 180.26 1oub h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.80 -3.28 116.97 112.00 1oub h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1oub h TYR 124 Cb 1.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.38 1oub h TYR 124 CO 0.00 0.34 -0.13 1.33 -1.05 0.00 0.00 178.16 178.65 1oub n VAL 125 N -3.78 0.00 -1.97 -2.88 0.24 -0.70 -4.83 118.33 104.42 1oub n VAL 125 Ca -0.01 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1oub n VAL 125 Cb 0.43 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1oub n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1oub s GLN 126 N -1.04 4.24 0.00 7.34 -1.52 -0.91 -2.36 119.66 125.41 1oub s GLN 126 Ca 0.06 2.33 0.00 0.00 -1.95 0.00 0.00 55.36 55.80 1oub s GLN 126 Cb 0.06 -3.13 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1oub s GLN 126 CO 0.17 -0.52 0.00 0.41 -0.25 0.00 0.00 175.29 175.10 1oub n GLY 127 N 3.00 1.05 0.22 3.09 0.00 -1.26 -4.91 105.19 106.37 1oub n GLY 127 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1oub n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oub n GLY 129 N 1.36 -0.00 0.18 0.00 0.00 -1.26 -4.82 105.19 100.64 1oub n GLY 129 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1oub n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65