#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oud s VAL 2 N 0.00 4.14 0.58 3.15 1.01 -1.26 -1.18 120.40 126.84 1oud s VAL 2 Ca 0.00 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 1oud s VAL 2 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1oud s VAL 2 CO 0.00 -0.29 1.10 -0.36 0.00 0.00 0.00 175.10 175.55 1oud s PHE 3 N 1.45 2.76 0.17 5.22 0.08 -0.34 -5.01 117.98 122.32 1oud s PHE 3 Ca 0.01 1.54 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 1oud s PHE 3 Cb -0.20 -3.16 -0.07 0.00 -0.57 0.00 0.00 43.02 39.01 1oud s PHE 3 CO 0.04 -1.41 0.51 -1.21 -0.10 0.00 0.00 175.22 173.04 1oud s GLU 4 N -3.69 3.83 0.06 0.44 2.02 -1.26 -4.87 118.70 115.23 1oud s GLU 4 Ca 0.68 0.29 -0.14 0.00 0.02 0.00 0.00 54.97 55.82 1oud s GLU 4 Cb -0.20 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1oud s GLU 4 CO 0.32 0.42 1.23 -0.09 0.02 0.00 0.00 175.26 177.16 1oud h ARG 5 N 3.04 -0.07 -0.02 1.61 2.43 -1.96 -1.37 114.38 118.05 1oud h ARG 5 Ca -0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1oud h ARG 5 Cb 1.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1oud h ARG 5 CO 0.68 -0.05 -0.18 0.00 -1.51 0.00 0.00 179.97 178.91 1oud h GLU 7 N 0.02 0.39 -0.47 0.00 4.81 -1.79 -1.21 114.58 116.33 1oud h GLU 7 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1oud h GLU 7 Cb 0.34 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1oud h GLU 7 CO 0.02 0.29 -0.06 1.25 -0.73 0.00 0.00 179.01 179.79 1oud h LEU 8 N 0.38 0.87 -0.38 1.64 5.85 -0.60 -2.18 115.31 120.88 1oud h LEU 8 Ca 0.10 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1oud h LEU 8 Cb -0.01 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1oud h LEU 8 CO -0.02 1.00 0.05 0.00 -0.34 0.00 0.00 178.44 179.13 1oud h ALA 9 N 0.90 0.38 -0.71 1.25 0.00 -0.87 0.25 119.26 120.46 1oud h ALA 9 Ca 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1oud h ALA 9 Cb 0.59 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1oud h ALA 9 CO 0.04 -0.35 0.21 0.00 0.00 0.00 0.00 179.25 179.14 1oud h ARG 10 N 0.16 1.11 -0.08 0.00 3.08 -1.11 -2.47 114.38 115.07 1oud h ARG 10 Ca 0.18 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1oud h ARG 10 Cb 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1oud h ARG 10 CO -0.26 0.95 0.03 1.15 -1.07 0.00 0.00 179.97 180.77 1oud h THR 11 N 1.06 1.15 -0.97 2.04 2.02 -0.71 -2.47 112.91 115.02 1oud h THR 11 Ca 0.23 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1oud h THR 11 Cb 0.32 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 1oud h THR 11 CO -0.01 0.13 0.64 -0.07 0.37 0.00 0.00 175.52 176.58 1oud h LEU 12 N -0.04 1.08 -0.66 2.58 3.38 -0.90 -1.71 115.31 119.04 1oud h LEU 12 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1oud h LEU 12 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1oud h LEU 12 CO -0.00 0.75 0.37 0.50 0.09 0.00 0.00 178.44 180.15 1oud h LYS 13 N 1.26 0.92 0.00 1.13 3.64 -1.29 -1.67 116.57 120.56 1oud h LYS 13 Ca 0.38 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1oud h LYS 13 Cb -0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1oud h LYS 13 CO -0.11 0.69 -0.34 -0.09 -2.27 0.00 0.00 179.45 177.34 1oud h ARG 14 N 0.91 0.00 -0.09 1.90 2.43 -0.95 -1.52 114.38 117.05 1oud h ARG 14 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1oud h ARG 14 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1oud h ARG 14 CO -0.04 0.34 0.00 1.28 -1.51 0.00 0.00 179.97 180.04 1oud n LEU 15 N -4.09 0.74 -1.00 3.80 4.77 -0.69 -4.91 117.00 115.61 1oud n LEU 15 Ca -0.02 -0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 1oud n LEU 15 Cb 0.38 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1oud n LEU 15 CO 0.38 0.16 -0.03 0.61 -1.33 0.00 0.00 177.39 177.19 1oud n GLY 16 N 0.88 0.23 0.15 -0.72 0.00 -0.57 -4.96 105.19 100.20 1oud n GLY 16 Ca 0.12 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1oud n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1oud h MET 17 N -0.29 0.00 -6.09 1.61 2.86 -1.50 -3.41 114.93 108.10 1oud h MET 17 Ca -0.16 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.91 1oud h MET 17 Cb 1.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1oud h MET 17 CO 0.18 0.00 1.39 0.34 1.06 0.00 0.00 176.91 179.88 1oud s ASP 18 N -5.67 5.56 0.00 1.22 2.15 -1.26 -1.96 116.67 116.71 1oud s ASP 18 Ca 0.02 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.39 1oud s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1oud s ASP 18 CO 0.74 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 1oud n GLY 19 N 5.61 0.62 3.65 2.66 0.00 0.37 -4.89 105.19 113.22 1oud n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1oud n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oud s TYR 20 N -2.20 1.26 -1.45 1.61 5.04 -0.83 -1.22 117.35 119.56 1oud s TYR 20 Ca 0.00 -0.27 -0.09 0.00 -2.44 0.00 0.00 57.07 54.27 1oud s TYR 20 Cb 0.00 -4.19 0.05 0.00 0.35 0.00 0.00 41.96 38.17 1oud s TYR 20 CO 0.00 -5.29 0.71 0.54 -1.34 0.00 0.00 175.55 170.17 1oud n ARG 21 N 7.78 -4.81 -0.99 4.97 5.12 -1.26 -1.56 116.66 125.90 1oud n ARG 21 Ca 0.22 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 1oud n ARG 21 Cb 0.42 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 1oud n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1oud n GLY 22 N -1.49 0.54 3.46 -0.13 0.00 -0.35 -5.01 105.19 102.20 1oud n GLY 22 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1oud n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oud s ILE 23 N -2.13 4.87 0.72 -0.61 1.01 -0.60 -4.91 121.20 119.55 1oud s ILE 23 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1oud s ILE 23 Cb 0.00 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1oud s ILE 23 CO 0.00 -0.05 1.20 -0.94 0.00 0.00 0.00 174.94 175.14 1oud s SER 24 N 1.64 4.32 0.25 3.58 1.04 -1.26 -0.48 113.70 122.79 1oud s SER 24 Ca 0.05 2.31 -0.04 0.00 0.48 0.00 0.00 55.95 58.75 1oud s SER 24 Cb -0.18 -2.58 0.36 0.00 0.10 0.00 0.00 66.02 63.72 1oud s SER 24 CO 0.08 -2.18 1.85 0.25 0.98 0.00 0.00 173.24 174.23 1oud h LEU 25 N -0.23 0.87 -1.84 2.42 5.85 -1.90 -1.31 115.31 119.16 1oud h LEU 25 Ca -0.48 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1oud h LEU 25 Cb 1.29 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1oud h LEU 25 CO 0.50 0.55 0.24 0.00 -0.34 0.00 0.00 178.44 179.40 1oud h ALA 26 N 1.42 2.09 -0.18 1.25 0.00 -1.91 -0.19 119.26 121.74 1oud h ALA 26 Ca 0.39 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.09 1oud h ALA 26 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1oud h ALA 26 CO -0.18 -0.17 -0.67 -0.91 0.00 0.00 0.00 179.25 177.32 1oud h ASN 27 N 0.19 0.81 -0.58 0.00 2.35 -1.58 -1.39 115.58 115.38 1oud h ASN 27 Ca 0.16 -0.49 -0.10 0.00 -0.55 0.00 0.00 56.30 55.32 1oud h ASN 27 Cb 0.40 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1oud h ASN 27 CO -0.03 1.27 -0.02 -0.50 -1.65 0.00 0.00 177.43 176.50 1oud h TRP 28 N 0.51 1.15 -0.43 1.19 4.06 -1.03 -1.12 115.95 120.26 1oud h TRP 28 Ca -0.02 -0.20 -0.04 0.00 2.06 0.00 0.00 58.89 60.69 1oud h TRP 28 Cb 1.27 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.12 1oud h TRP 28 CO 0.07 1.02 0.13 0.52 -3.56 0.00 0.00 178.44 176.62 1oud h MET 29 N 0.95 0.68 -0.72 0.49 2.86 -0.99 -1.14 114.93 117.06 1oud h MET 29 Ca 0.17 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1oud h MET 29 Cb 0.57 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1oud h MET 29 CO 0.03 0.66 0.44 0.00 1.06 0.00 0.00 176.91 179.11 1oud h LEU 31 N 0.99 -0.26 -1.15 0.00 5.85 -0.92 -2.15 115.31 117.67 1oud h LEU 31 Ca 0.26 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1oud h LEU 31 Cb -0.04 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1oud h LEU 31 CO -0.05 -0.09 0.40 0.00 -0.34 0.00 0.00 178.44 178.36 1oud h ALA 32 N 0.34 1.36 -0.00 1.25 0.00 -1.09 -0.62 119.26 120.49 1oud h ALA 32 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1oud h ALA 32 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1oud h ALA 32 CO 0.05 0.53 -0.03 -0.22 0.00 0.00 0.00 179.25 179.58 1oud h LYS 33 N 0.99 -0.05 0.00 0.00 1.63 -0.90 -1.81 116.57 116.43 1oud h LYS 33 Ca 0.25 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1oud h LYS 33 Cb 0.01 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1oud h LYS 33 CO -0.04 -0.03 -0.26 -1.49 -3.45 0.00 0.00 179.45 174.18 1oud h TRP 34 N -0.05 0.00 0.07 1.91 4.06 -1.17 -1.18 115.95 119.59 1oud h TRP 34 Ca 0.02 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.85 1oud h TRP 34 Cb 0.07 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1oud h TRP 34 CO -0.11 0.26 -0.51 0.93 -3.56 0.00 0.00 178.44 175.45 1oud h GLU 35 N 0.00 0.16 0.00 0.49 4.39 -1.05 -3.43 114.58 115.14 1oud h GLU 35 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1oud h GLU 35 Cb 1.17 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1oud h GLU 35 CO 0.03 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 1oud n SER 36 N -4.34 0.18 -1.51 1.42 3.41 -0.72 -4.87 113.62 107.19 1oud n SER 36 Ca -0.13 -0.52 -0.10 0.00 -0.26 0.00 0.00 58.87 57.85 1oud n SER 36 Cb 0.67 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 1oud n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oud n GLY 37 N 0.29 0.14 2.79 5.00 0.00 -0.44 -2.82 105.19 110.15 1oud n GLY 37 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1oud n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oud n TYR 38 N -3.81 -1.61 -3.81 1.61 0.53 -1.15 -4.79 117.16 104.12 1oud n TYR 38 Ca -0.05 0.33 -0.36 0.00 -1.02 0.00 0.00 57.90 56.79 1oud n TYR 38 Cb 0.55 -4.31 -0.13 0.00 -1.03 0.00 0.00 39.34 34.42 1oud n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1oud s ASN 39 N -2.46 4.90 0.53 7.72 2.47 -1.13 -1.20 114.94 125.78 1oud s ASN 39 Ca 0.19 -0.71 0.32 0.00 0.42 0.00 0.00 52.86 53.08 1oud s ASN 39 Cb -0.08 -1.82 1.26 0.00 -1.45 0.00 0.00 41.25 39.15 1oud s ASN 39 CO 0.24 -0.16 1.95 0.71 -3.72 0.00 0.00 177.10 176.11 1oud h THR 40 N 5.91 0.05 -0.46 -5.21 1.35 -1.48 -3.02 112.91 110.06 1oud h THR 40 Ca -0.32 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1oud h THR 40 Cb 1.13 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1oud h THR 40 CO 0.59 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.78 1oud n ARG 41 N -3.12 2.37 -1.93 4.72 1.85 -1.26 -4.10 116.66 115.19 1oud n ARG 41 Ca 0.01 -2.10 -0.42 0.00 -1.00 0.00 0.00 57.85 54.34 1oud n ARG 41 Cb 0.33 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 1oud n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1oud s ALA 42 N -1.40 3.74 0.01 2.89 0.00 -1.14 -4.81 121.76 121.05 1oud s ALA 42 Ca 0.39 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1oud s ALA 42 Cb 0.22 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1oud s ALA 42 CO 0.30 -0.80 -0.06 0.95 0.00 0.00 0.00 175.76 176.15 1oud s THR 43 N 0.73 0.46 -0.11 0.00 -4.23 -1.26 -0.37 115.64 110.86 1oud s THR 43 Ca 0.67 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1oud s THR 43 Cb -0.44 -0.45 0.05 0.00 1.34 0.00 0.00 72.50 73.00 1oud s THR 43 CO 0.36 -0.08 0.11 0.21 -0.54 0.00 0.00 174.62 174.69 1oud s ASN 44 N -0.68 1.43 -0.05 3.99 2.47 -0.43 -4.97 114.94 116.70 1oud s ASN 44 Ca -0.03 -0.10 -0.26 0.00 0.42 0.00 0.00 52.86 52.90 1oud s ASN 44 Cb -0.05 -0.01 -0.03 0.00 -1.45 0.00 0.00 41.25 39.71 1oud s ASN 44 CO 0.00 -0.29 0.81 -0.47 -3.72 0.00 0.00 177.10 173.44 1oud s TYR 45 N 2.21 3.60 -0.72 0.43 6.14 -1.26 -0.91 117.35 126.83 1oud s TYR 45 Ca 0.04 1.42 -0.12 0.00 0.64 0.00 0.00 57.07 59.04 1oud s TYR 45 Cb -0.14 -2.94 0.19 0.00 0.42 0.00 0.00 41.96 39.50 1oud s TYR 45 CO -0.06 0.03 0.64 -0.80 0.64 0.00 0.00 175.55 175.99 1oud s ASN 46 N 0.90 6.33 0.54 4.32 0.01 0.42 -4.91 114.94 122.55 1oud s ASN 46 Ca 0.43 -2.53 0.24 0.00 -0.71 0.00 0.00 52.86 50.28 1oud s ASN 46 Cb -0.19 -2.13 1.42 0.00 0.41 0.00 0.00 41.25 40.76 1oud s ASN 46 CO 0.21 -0.59 2.06 0.00 -1.51 0.00 0.00 177.10 177.27 1oud h ALA 47 N 7.86 2.23 -0.24 0.60 0.00 -1.95 -0.18 119.26 127.58 1oud h ALA 47 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1oud h ALA 47 Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1oud h ALA 47 CO 0.80 -0.41 -0.04 0.78 0.00 0.00 0.00 179.25 180.38 1oud h GLY 48 N 0.00 0.39 0.00 0.00 0.00 -1.94 -3.32 103.07 98.19 1oud h GLY 48 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1oud h GLY 48 CO -0.00 0.20 0.00 2.09 0.00 0.00 0.00 176.54 178.83 1oud n ASP 49 N -4.31 0.76 -1.18 0.19 5.75 -1.01 -5.03 116.55 111.73 1oud n ASP 49 Ca 0.00 -1.29 -0.13 0.00 -0.01 0.00 0.00 54.79 53.36 1oud n ASP 49 Cb 0.23 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 1oud n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1oud n ARG 50 N -0.15 -0.96 -4.04 0.11 1.74 -0.11 -4.85 116.66 108.41 1oud n ARG 50 Ca 0.00 0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 57.70 1oud n ARG 50 Cb 0.29 -4.96 -0.05 0.00 -1.02 0.00 0.00 32.46 26.72 1oud n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1oud s SER 51 N -2.70 5.20 -0.00 0.55 1.04 -1.19 -4.48 113.70 112.11 1oud s SER 51 Ca 0.00 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.02 1oud s SER 51 Cb 0.00 -1.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 1oud s SER 51 CO 0.00 -0.17 -0.14 -0.89 0.98 0.00 0.00 173.24 173.03 1oud s THR 52 N -2.25 1.07 -0.15 2.02 2.01 -1.26 -0.44 115.64 116.64 1oud s THR 52 Ca 0.36 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1oud s THR 52 Cb -0.06 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1oud s THR 52 CO 0.24 0.27 0.23 -1.81 -0.69 0.00 0.00 174.62 172.86 1oud s ASP 53 N -0.41 6.40 -0.05 3.53 1.01 -0.09 -1.31 116.67 125.76 1oud s ASP 53 Ca 0.05 0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.84 1oud s ASP 53 Cb -0.05 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1oud s ASP 53 CO -0.00 0.21 -0.24 -0.31 0.21 0.00 0.00 175.17 175.04 1oud s TYR 54 N -0.03 2.29 0.00 4.23 2.02 -0.24 -1.31 117.35 124.30 1oud s TYR 54 Ca 0.14 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1oud s TYR 54 Cb -0.13 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 1oud s TYR 54 CO 0.03 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1oud n GLY 55 N 2.85 -1.48 0.35 0.71 0.00 0.51 -1.68 105.19 106.45 1oud n GLY 55 Ca -0.17 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 44.70 1oud n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oud h ILE 56 N 0.00 0.88 -0.17 -0.61 2.10 -1.70 -1.18 117.51 116.83 1oud h ILE 56 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1oud h ILE 56 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1oud h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1oud n PHE 57 N -4.46 0.20 -3.69 2.19 3.01 -1.26 -3.97 117.46 109.48 1oud n PHE 57 Ca 0.09 -0.13 -0.32 0.00 1.01 0.00 0.00 57.45 58.10 1oud n PHE 57 Cb 0.38 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.89 1oud n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1oud n GLN 58 N 1.06 -1.27 -2.69 -1.08 1.13 -0.45 -4.92 117.38 109.18 1oud n GLN 58 Ca 0.13 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1oud n GLN 58 Cb 0.48 -4.12 -0.03 0.00 0.11 0.00 0.00 30.24 26.68 1oud n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oud s ILE 59 N -3.47 4.79 0.08 5.09 1.01 -0.67 -4.46 121.20 123.56 1oud s ILE 59 Ca 0.47 2.02 -0.30 0.00 0.00 0.00 0.00 60.65 62.84 1oud s ILE 59 Cb -0.17 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 1oud s ILE 59 CO 0.86 0.09 1.11 0.21 0.00 0.00 0.00 174.94 177.21 1oud s ASN 60 N 1.06 7.22 0.18 3.58 3.84 -1.26 -1.08 114.94 128.48 1oud s ASN 60 Ca 0.51 1.94 0.19 0.00 0.21 0.00 0.00 52.86 55.70 1oud s ASN 60 Cb -0.20 -2.58 0.83 0.00 -0.55 0.00 0.00 41.25 38.74 1oud s ASN 60 CO 0.24 -0.33 1.57 -1.54 -2.79 0.00 0.00 177.10 174.25 1oud n SER 61 N 3.45 0.42 0.10 -4.21 3.41 -0.42 -2.25 113.62 114.12 1oud n SER 61 Ca 0.06 0.63 -0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1oud n SER 61 Cb 0.48 -0.71 0.17 0.00 -0.26 0.00 0.00 64.21 63.89 1oud n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1oud h ARG 62 N 0.00 0.18 0.00 4.33 2.43 -1.83 -3.40 114.38 116.09 1oud h ARG 62 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1oud h ARG 62 Cb 0.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1oud h ARG 62 CO 0.00 0.68 -0.90 0.66 -1.51 0.00 0.00 179.97 178.90 1oud n TYR 63 N -3.91 0.00 -0.06 2.20 4.02 -1.18 -0.46 117.16 117.76 1oud n TYR 63 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1oud n TYR 63 Cb 0.57 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.75 1oud n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1oud n TRP 64 N -2.08 0.60 -4.21 -0.72 7.02 -0.95 -0.30 117.44 116.80 1oud n TRP 64 Ca 0.00 0.13 -0.12 0.00 -1.02 0.00 0.00 57.50 56.49 1oud n TRP 64 Cb 0.45 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.16 1oud n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1oud s ASN 66 N -3.11 5.89 0.00 0.00 2.47 -0.09 -4.57 114.94 115.54 1oud s ASN 66 Ca 0.16 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1oud s ASN 66 Cb 0.05 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1oud s ASN 66 CO -0.01 0.09 0.53 -0.90 -3.72 0.00 0.00 177.10 173.08 1oud n ASP 67 N 4.13 1.05 0.00 -4.21 5.68 -1.26 -1.39 116.55 120.55 1oud n ASP 67 Ca -0.16 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1oud n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1oud n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oud n GLY 68 N -0.06 1.95 0.57 6.12 0.00 -1.26 -4.74 105.19 107.77 1oud n GLY 68 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1oud n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1oud n LYS 69 N -1.67 1.48 -3.15 1.61 2.85 -1.26 -4.91 118.16 113.10 1oud n LYS 69 Ca 0.00 -1.28 -0.41 0.00 -1.05 0.00 0.00 58.31 55.58 1oud n LYS 69 Cb 0.00 -1.31 -0.07 0.00 -0.65 0.00 0.00 35.03 33.00 1oud n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1oud s THR 70 N -1.59 4.98 0.50 0.58 2.01 -1.26 -4.99 115.64 115.88 1oud s THR 70 Ca 0.18 0.87 -0.23 0.00 0.31 0.00 0.00 61.69 62.81 1oud s THR 70 Cb 0.14 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 1oud s THR 70 CO 0.28 -0.06 1.40 -2.84 -0.69 0.00 0.00 174.62 172.71 1oud s PRO 71 N 2.50 3.38 -1.64 4.92 0.02 -1.26 -3.45 135.00 139.47 1oud s PRO 71 Ca 0.24 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 1oud s PRO 71 Cb -0.15 -2.45 0.11 0.00 0.02 0.00 0.00 34.50 32.03 1oud s PRO 71 CO 0.11 -1.04 0.59 0.41 -0.33 0.00 0.00 177.00 176.74 1oud n GLY 72 N 0.66 -0.35 3.89 0.52 0.00 -1.26 -4.94 105.19 103.70 1oud n GLY 72 Ca 0.08 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1oud n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oud s ALA 73 N -3.57 3.79 0.44 4.61 0.00 -1.22 -4.98 121.76 120.82 1oud s ALA 73 Ca 0.49 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1oud s ALA 73 Cb -0.27 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1oud s ALA 73 CO 0.94 0.44 0.03 0.14 0.00 0.00 0.00 175.76 177.30 1oud s VAL 74 N -1.84 1.45 -0.47 0.00 -7.23 0.39 -5.00 120.40 107.70 1oud s VAL 74 Ca 0.33 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1oud s VAL 74 Cb -0.10 -2.60 0.23 0.00 0.56 0.00 0.00 36.38 34.47 1oud s VAL 74 CO 0.26 0.00 0.53 -3.20 -0.31 0.00 0.00 175.10 172.38 1oud n ASN 75 N -1.07 1.02 0.26 4.85 5.15 -1.23 -3.83 115.26 120.40 1oud n ASN 75 Ca -0.10 -2.83 0.10 0.00 -0.60 0.00 0.00 54.58 51.16 1oud n ASN 75 Cb 0.67 -0.64 0.69 0.00 -0.53 0.00 0.00 39.78 39.97 1oud n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oud h ALA 76 N 4.48 1.62 -0.00 5.20 0.00 -0.65 -0.45 119.26 129.46 1oud h ALA 76 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1oud h ALA 76 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1oud h ALA 76 CO 0.54 0.10 -0.29 0.00 0.00 0.00 0.00 179.25 179.61 1oud n HIS 78 N -1.28 -2.07 -3.97 0.00 -0.00 -0.18 -4.98 115.22 102.74 1oud n HIS 78 Ca 0.08 0.85 -0.09 0.00 -0.00 0.00 0.00 57.72 58.56 1oud n HIS 78 Cb 0.33 -4.53 -0.11 0.00 -0.00 0.00 0.00 29.99 25.68 1oud n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1oud s LEU 79 N -6.40 2.11 0.39 2.41 1.43 -1.26 -5.07 118.68 112.30 1oud s LEU 79 Ca 0.09 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 1oud s LEU 79 Cb -0.02 0.25 -0.10 0.00 0.03 0.00 0.00 46.19 46.36 1oud s LEU 79 CO 0.78 -0.36 1.00 -0.55 0.23 0.00 0.00 176.35 177.45 1oud s SER 80 N -1.66 6.89 0.60 2.29 0.15 -1.26 -0.91 113.70 119.81 1oud s SER 80 Ca -0.13 1.91 0.38 0.00 0.70 0.00 0.00 55.95 58.81 1oud s SER 80 Cb -0.07 -2.57 1.89 0.00 -1.71 0.00 0.00 66.02 63.56 1oud s SER 80 CO -0.02 -0.39 2.19 0.00 1.20 0.00 0.00 173.24 176.22 1oud h SER 82 N 0.00 0.44 0.27 0.00 0.87 -1.91 -1.63 113.55 111.58 1oud h SER 82 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1oud h SER 82 Cb 0.24 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1oud h SER 82 CO 0.00 0.29 -0.06 0.00 -0.53 0.00 0.00 176.83 176.53 1oud h ALA 83 N 1.72 1.28 -0.16 6.23 0.00 -1.73 -1.67 119.26 124.92 1oud h ALA 83 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oud h ALA 83 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1oud h ALA 83 CO -0.06 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1oud n LEU 84 N -3.56 1.12 -0.32 0.00 4.77 -0.61 -3.50 117.00 114.90 1oud n LEU 84 Ca -0.02 -0.51 0.03 0.00 -0.03 0.00 0.00 56.01 55.48 1oud n LEU 84 Cb 0.18 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1oud n LEU 84 CO 0.28 0.26 0.56 0.18 -1.33 0.00 0.00 177.39 177.33 1oud n LEU 85 N 0.02 2.42 -4.87 2.23 4.77 -0.63 -3.38 117.00 117.57 1oud n LEU 85 Ca 0.12 -1.95 -0.30 0.00 -0.03 0.00 0.00 56.01 53.84 1oud n LEU 85 Cb 0.21 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1oud n LEU 85 CO 0.09 0.60 0.74 -1.10 -1.33 0.00 0.00 177.39 176.39 1oud s GLN 86 N -0.98 2.99 0.14 3.23 -0.21 -1.23 -4.55 119.66 119.06 1oud s GLN 86 Ca 0.11 0.57 -0.04 0.00 0.02 0.00 0.00 55.36 56.03 1oud s GLN 86 Cb 0.06 -2.03 -0.08 0.00 1.00 0.00 0.00 33.01 31.97 1oud s GLN 86 CO 0.08 -0.96 1.32 -0.44 -2.12 0.00 0.00 175.29 173.17 1oud h ASP 87 N -0.60 0.52 -3.15 5.90 5.19 -1.93 -3.41 116.42 118.94 1oud h ASP 87 Ca -0.45 -0.41 -0.57 0.00 -0.62 0.00 0.00 57.03 54.98 1oud h ASP 87 Cb 1.24 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.54 1oud h ASP 87 CO 0.63 1.20 0.71 0.21 -3.12 0.00 0.00 179.24 178.86 1oud s ASN 88 N -7.06 7.15 -0.03 6.45 3.84 -1.26 -4.92 114.94 119.11 1oud s ASN 88 Ca -0.06 1.46 0.12 0.00 0.21 0.00 0.00 52.86 54.60 1oud s ASN 88 Cb 0.09 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.65 1oud s ASN 88 CO 0.86 -0.58 1.30 2.30 -2.79 0.00 0.00 177.10 178.20 1oud n ILE 89 N 5.00 0.78 -0.17 -5.21 -5.35 -1.26 -4.50 119.36 108.65 1oud n ILE 89 Ca 0.11 -0.63 -0.02 0.00 -0.27 0.00 0.00 62.75 61.94 1oud n ILE 89 Cb 0.47 0.16 0.08 0.00 -1.74 0.00 0.00 39.64 38.62 1oud n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oud h ALA 90 N 3.68 0.65 -0.38 -1.28 0.00 -1.95 0.05 119.26 120.03 1oud h ALA 90 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1oud h ALA 90 Cb 0.74 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1oud h ALA 90 CO 0.06 -0.25 -0.35 -0.44 0.00 0.00 0.00 179.25 178.27 1oud h ASP 91 N 0.32 0.93 -0.51 0.00 3.45 -1.87 -1.29 116.42 117.44 1oud h ASP 91 Ca 0.27 -0.40 -0.04 0.00 0.43 0.00 0.00 57.03 57.28 1oud h ASP 91 Cb 0.34 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1oud h ASP 91 CO -0.30 1.18 0.17 0.00 -1.57 0.00 0.00 179.24 178.71 1oud h ALA 92 N 0.87 1.24 -0.24 3.45 0.00 -1.66 -1.26 119.26 121.65 1oud h ALA 92 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1oud h ALA 92 Cb 0.92 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1oud h ALA 92 CO 0.09 0.54 -0.20 0.28 0.00 0.00 0.00 179.25 179.95 1oud h VAL 93 N 0.82 1.31 -0.62 0.00 2.07 -0.81 -0.39 116.25 118.64 1oud h VAL 93 Ca 0.19 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1oud h VAL 93 Cb 0.25 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1oud h VAL 93 CO -0.01 0.42 0.36 0.00 0.02 0.00 0.00 177.57 178.37 1oud h ALA 94 N 0.69 1.47 -0.07 1.67 0.00 -0.94 -1.49 119.26 120.59 1oud h ALA 94 Ca 0.04 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1oud h ALA 94 Cb 0.75 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1oud h ALA 94 CO 0.05 0.45 -0.90 0.00 0.00 0.00 0.00 179.25 178.86 1oud h ALA 96 N 0.58 1.38 -0.76 0.00 0.00 -0.72 -0.23 119.26 119.51 1oud h ALA 96 Ca -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1oud h ALA 96 Cb 1.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1oud h ALA 96 CO 0.17 0.48 0.32 0.87 0.00 0.00 0.00 179.25 181.09 1oud h LYS 97 N 0.78 1.12 -0.43 0.00 1.57 -1.22 -2.61 116.57 115.78 1oud h LYS 97 Ca 0.19 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1oud h LYS 97 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1oud h LYS 97 CO -0.02 0.90 0.13 -0.09 -0.57 0.00 0.00 179.45 179.80 1oud h ARG 98 N 1.08 0.68 -0.51 3.15 9.65 -0.87 -2.83 114.38 124.73 1oud h ARG 98 Ca 0.25 -0.15 0.08 0.00 -1.10 0.00 0.00 59.98 59.06 1oud h ARG 98 Cb 0.18 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 1oud h ARG 98 CO -0.02 0.67 0.15 0.28 2.80 0.00 0.00 179.97 183.84 1oud h VAL 99 N 0.56 0.78 0.00 0.20 2.07 -0.83 -2.00 116.25 117.03 1oud h VAL 99 Ca 0.14 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1oud h VAL 99 Cb 0.28 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1oud h VAL 99 CO -0.00 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.97 1oud n VAL 100 N -5.05 0.08 1.06 2.57 0.24 -1.01 -2.66 118.33 113.57 1oud n VAL 100 Ca 0.06 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 1oud n VAL 100 Cb 0.23 -0.57 0.61 0.00 -1.47 0.00 0.00 33.84 32.64 1oud n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1oud n ARG 101 N -1.23 0.17 -2.16 7.34 1.74 -0.75 -4.25 116.66 117.52 1oud n ARG 101 Ca 0.15 0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 1oud n ARG 101 Cb 0.19 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 1oud n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oud s ASP 102 N -2.81 6.37 0.32 0.55 -0.00 -1.09 -4.98 116.67 115.03 1oud s ASP 102 Ca 0.18 1.39 0.09 0.00 -0.00 0.00 0.00 52.55 54.22 1oud s ASP 102 Cb 0.17 -2.45 0.90 0.00 -0.00 0.00 0.00 42.92 41.55 1oud s ASP 102 CO 0.45 -0.73 1.70 1.55 -0.00 0.00 0.00 175.17 178.14 1oud h PRO 103 N 0.19 0.45 -0.07 8.23 0.13 -1.89 -1.86 132.00 137.19 1oud h PRO 103 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1oud h PRO 103 Cb 1.19 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1oud h PRO 103 CO 0.62 0.30 -0.13 1.96 -0.23 0.00 0.00 178.00 180.52 1oud h GLN 104 N 0.46 0.11 0.00 0.86 4.20 -1.91 -3.48 115.11 115.36 1oud h GLN 104 Ca 0.65 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.34 1oud h GLN 104 Cb 1.31 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1oud h GLN 104 CO -0.53 0.25 0.00 0.41 -0.67 0.00 0.00 178.83 178.29 1oud n GLY 105 N -1.02 1.76 0.30 3.46 0.00 -0.70 -2.34 105.19 106.65 1oud n GLY 105 Ca -0.02 -0.58 0.19 0.00 0.00 0.00 0.00 46.02 45.61 1oud n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oud h ILE 106 N 0.00 0.11 0.00 -0.61 6.09 -1.91 -2.62 117.51 118.58 1oud h ILE 106 Ca 0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1oud h ILE 106 Cb 0.00 1.26 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1oud h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1oud n ARG 107 N -3.20 0.03 0.22 2.19 1.74 -0.99 -2.76 116.66 113.90 1oud n ARG 107 Ca -0.01 0.30 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1oud n ARG 107 Cb 0.19 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 30.89 1oud n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oud h ALA 108 N 2.36 1.91 -2.57 7.54 0.00 -1.64 -3.37 119.26 123.49 1oud h ALA 108 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1oud h ALA 108 Cb 0.15 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.77 1oud h ALA 108 CO 0.00 -0.15 -0.31 -1.58 0.00 0.00 0.00 179.25 177.21 1oud s TRP 109 N -4.86 3.21 0.35 0.00 0.51 -1.11 -4.95 118.94 112.08 1oud s TRP 109 Ca -0.05 -0.15 0.03 0.00 -2.12 0.00 0.00 56.10 53.81 1oud s TRP 109 Cb 0.17 -2.67 0.65 0.00 -0.81 0.00 0.00 33.47 30.80 1oud s TRP 109 CO 0.62 -0.48 1.99 0.28 -0.51 0.00 0.00 176.95 178.86 1oud h VAL 110 N 5.57 1.12 -0.48 4.03 2.07 -1.89 -1.50 116.25 125.17 1oud h VAL 110 Ca -0.29 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1oud h VAL 110 Cb 1.14 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1oud h VAL 110 CO 0.70 0.16 0.32 0.00 0.02 0.00 0.00 177.57 178.77 1oud h ALA 111 N 1.59 2.00 -0.68 1.67 0.00 -1.94 -1.33 119.26 120.58 1oud h ALA 111 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1oud h ALA 111 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1oud h ALA 111 CO -0.07 -0.09 0.35 2.35 0.00 0.00 0.00 179.25 181.79 1oud h TRP 112 N 0.35 0.96 -0.60 0.00 7.01 -1.59 -0.51 115.95 121.56 1oud h TRP 112 Ca 0.21 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 1oud h TRP 112 Cb 0.40 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 1oud h TRP 112 CO -0.00 0.70 0.23 0.00 -2.79 0.00 0.00 178.44 176.57 1oud h ARG 113 N 0.94 0.91 -0.08 2.65 3.08 -1.31 0.18 114.38 120.76 1oud h ARG 113 Ca 0.24 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1oud h ARG 113 Cb 0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1oud h ARG 113 CO -0.03 0.79 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.61 1oud h ASN 114 N 0.84 0.26 0.00 7.04 2.35 -1.26 -3.36 115.58 121.45 1oud h ASN 114 Ca 0.20 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1oud h ASN 114 Cb 0.23 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1oud h ASN 114 CO -0.01 0.74 -1.38 0.54 -1.65 0.00 0.00 177.43 175.67 1oud n ARG 115 N -4.62 0.73 0.00 0.81 5.12 -0.22 -4.82 116.66 113.66 1oud n ARG 115 Ca -0.07 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1oud n ARG 115 Cb 0.36 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1oud n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1oud n GLN 117 N -2.41 2.15 -1.80 0.00 7.27 -0.28 -2.38 117.38 119.93 1oud n GLN 117 Ca 0.00 0.76 -0.20 0.00 0.07 0.00 0.00 57.00 57.63 1oud n GLN 117 Cb 0.47 -2.42 -0.07 0.00 2.41 0.00 0.00 30.24 30.63 1oud n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1oud n ASN 118 N 1.86 -5.48 -4.65 1.69 5.03 -1.26 -4.97 115.26 107.48 1oud n ASN 118 Ca 0.10 0.37 -0.25 0.00 0.87 0.00 0.00 54.58 55.67 1oud n ASN 118 Cb 0.33 -4.77 -0.08 0.00 -1.02 0.00 0.00 39.78 34.24 1oud n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1oud s ARG 119 N -4.07 2.11 -0.71 3.52 0.52 -1.00 -5.06 118.95 114.26 1oud s ARG 119 Ca 0.00 -1.74 -0.26 0.00 -0.52 0.00 0.00 55.73 53.21 1oud s ARG 119 Cb 0.00 -1.95 0.04 0.00 0.52 0.00 0.00 34.95 33.57 1oud s ARG 119 CO 0.00 0.11 1.17 0.34 0.02 0.00 0.00 175.30 176.95 1oud s ASP 120 N -3.74 6.17 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.13 1oud s ASP 120 Ca 0.35 -0.61 0.20 0.00 -0.52 0.00 0.00 52.55 51.97 1oud s ASP 120 Cb 0.00 -2.51 0.54 0.00 -1.46 0.00 0.00 42.92 39.49 1oud s ASP 120 CO 0.20 -1.70 1.44 0.00 0.52 0.00 0.00 175.17 175.63 1oud n ALA 121 N 8.81 2.45 -0.33 3.66 0.00 -1.26 -4.44 120.51 129.40 1oud n ALA 121 Ca 0.01 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 52.74 1oud n ALA 121 Cb 0.48 -0.97 0.28 0.00 0.00 0.00 0.00 19.45 19.23 1oud n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oud h ARG 122 N 3.25 0.67 -1.17 0.00 3.08 -1.93 -1.99 114.38 116.28 1oud h ARG 122 Ca 0.00 -0.04 0.34 0.00 0.07 0.00 0.00 59.98 60.35 1oud h ARG 122 Cb 0.72 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1oud h ARG 122 CO 0.00 0.44 0.86 -0.56 -1.07 0.00 0.00 179.97 179.64 1oud h GLN 123 N 0.69 0.00 0.00 0.04 3.07 -1.97 -0.73 115.11 116.21 1oud h GLN 123 Ca 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.21 1oud h GLN 123 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 1oud h GLN 123 CO -0.38 0.00 -0.31 1.88 0.09 0.00 0.00 178.83 180.11 1oud h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.70 -3.28 116.97 112.09 1oud h TYR 124 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.34 1oud h TYR 124 Cb 2.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.01 1oud h TYR 124 CO 0.00 0.31 -0.05 1.33 -1.05 0.00 0.00 178.16 178.70 1oud n VAL 125 N -3.41 0.00 -1.81 -2.88 0.24 -0.36 -4.82 118.33 105.29 1oud n VAL 125 Ca 0.00 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1oud n VAL 125 Cb 0.50 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1oud n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1oud s GLN 126 N -0.66 4.16 0.00 7.34 -1.52 -0.70 -2.34 119.66 125.94 1oud s GLN 126 Ca 0.05 2.51 0.00 0.00 -1.95 0.00 0.00 55.36 55.97 1oud s GLN 126 Cb 0.04 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1oud s GLN 126 CO 0.09 -0.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.85 1oud n GLY 127 N 3.88 0.63 0.15 3.09 0.00 -1.26 -4.91 105.19 106.76 1oud n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1oud n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oud n GLY 129 N 1.37 0.08 0.11 0.00 0.00 -1.26 -4.81 105.19 100.68 1oud n GLY 129 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1oud n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65