#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fe0 s VAL 2 N 0.00 4.25 0.51 3.15 1.01 -1.26 -1.45 120.40 126.61 3fe0 s VAL 2 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3fe0 s VAL 2 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 3fe0 s VAL 2 CO 0.00 -0.25 1.09 -0.36 0.00 0.00 0.00 175.10 175.58 3fe0 s PHE 3 N 1.48 2.84 0.23 5.22 0.40 -0.35 -5.01 117.98 122.79 3fe0 s PHE 3 Ca 0.01 1.56 -0.17 0.00 -0.60 0.00 0.00 56.93 57.73 3fe0 s PHE 3 Cb -0.20 -3.20 -0.08 0.00 0.51 0.00 0.00 43.02 40.05 3fe0 s PHE 3 CO 0.05 -1.23 0.69 -2.00 0.70 0.00 0.00 175.22 173.42 3fe0 s GLU 4 N -3.20 4.13 0.11 0.44 -6.30 -1.26 -4.87 118.70 107.76 3fe0 s GLU 4 Ca 0.69 0.73 -0.28 0.00 -2.50 0.00 0.00 54.97 53.62 3fe0 s GLU 4 Cb -0.21 -2.79 -0.09 0.00 0.00 0.00 0.00 34.13 31.05 3fe0 s GLU 4 CO 0.24 0.36 1.46 -0.09 0.02 0.00 0.00 175.26 177.25 3fe0 h ARG 5 N 3.17 -0.26 0.00 4.30 2.43 -1.96 -1.38 114.38 120.67 3fe0 h ARG 5 Ca -0.48 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 3fe0 h ARG 5 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3fe0 h ARG 5 CO 0.65 -0.18 -0.31 0.00 -1.51 0.00 0.00 179.97 178.63 3fe0 h GLU 7 N 0.00 0.60 -0.52 0.00 4.81 -1.82 -1.71 114.58 115.94 3fe0 h GLU 7 Ca -0.00 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 3fe0 h GLU 7 Cb 0.59 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3fe0 h GLU 7 CO 0.04 0.58 -0.03 1.25 -0.73 0.00 0.00 179.01 180.12 3fe0 h LEU 8 N 0.49 0.93 -0.47 1.64 5.85 -0.87 -1.92 115.31 120.96 3fe0 h LEU 8 Ca 0.13 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3fe0 h LEU 8 Cb 0.21 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3fe0 h LEU 8 CO -0.01 1.02 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 3fe0 h ALA 9 N 0.93 0.60 -0.25 1.25 0.00 -1.05 0.21 119.26 120.94 3fe0 h ALA 9 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3fe0 h ALA 9 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fe0 h ALA 9 CO 0.03 -0.11 -0.31 0.00 0.00 0.00 0.00 179.25 178.86 3fe0 h ARG 10 N 0.47 0.53 -0.30 0.00 3.08 -1.21 -2.10 114.38 114.85 3fe0 h ARG 10 Ca 0.20 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3fe0 h ARG 10 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3fe0 h ARG 10 CO -0.14 0.78 -0.01 1.15 -1.07 0.00 0.00 179.97 180.68 3fe0 h THR 11 N 0.45 1.26 -0.40 2.04 2.02 -0.69 -2.36 112.91 115.24 3fe0 h THR 11 Ca 0.06 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 3fe0 h THR 11 Cb 0.76 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3fe0 h THR 11 CO 0.06 0.31 -0.05 -0.07 0.37 0.00 0.00 175.52 176.14 3fe0 h LEU 12 N 0.33 0.63 -0.58 2.58 3.38 -0.88 -2.15 115.31 118.62 3fe0 h LEU 12 Ca 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3fe0 h LEU 12 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3fe0 h LEU 12 CO 0.02 0.73 0.06 0.50 0.09 0.00 0.00 178.44 179.83 3fe0 h LYS 13 N 0.61 0.99 0.00 1.13 3.64 -1.25 -2.06 116.57 119.63 3fe0 h LYS 13 Ca 0.12 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3fe0 h LYS 13 Cb 0.45 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3fe0 h LYS 13 CO 0.02 0.96 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.79 3fe0 h ARG 14 N 0.89 0.00 -0.15 1.90 2.43 -1.17 -1.99 114.38 116.29 3fe0 h ARG 14 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3fe0 h ARG 14 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3fe0 h ARG 14 CO 0.02 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.04 3fe0 n LEU 15 N -4.21 0.98 -0.62 3.80 4.77 -0.83 -4.92 117.00 115.96 3fe0 n LEU 15 Ca -0.02 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.45 3fe0 n LEU 15 Cb 0.33 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3fe0 n LEU 15 CO 0.38 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.20 3fe0 n GLY 16 N 0.89 0.16 0.16 -0.72 0.00 -0.75 -4.97 105.19 99.96 3fe0 n GLY 16 Ca 0.11 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.56 3fe0 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3fe0 h MET 17 N 0.00 0.00 -6.26 1.61 2.86 -1.57 -3.41 114.93 108.17 3fe0 h MET 17 Ca -0.13 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.95 3fe0 h MET 17 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3fe0 h MET 17 CO 0.16 0.10 1.25 0.34 1.06 0.00 0.00 176.91 179.82 3fe0 s ASP 18 N -5.88 5.85 0.00 1.22 2.15 -1.26 -2.23 116.67 116.52 3fe0 s ASP 18 Ca 0.03 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.04 3fe0 s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3fe0 s ASP 18 CO 0.74 -1.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.56 3fe0 n GLY 19 N 5.41 0.68 3.67 2.66 0.00 0.39 -4.90 105.19 113.11 3fe0 n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3fe0 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fe0 s TYR 20 N -2.14 2.17 -1.37 1.61 5.04 -0.95 -1.82 117.35 119.88 3fe0 s TYR 20 Ca 0.00 0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.82 3fe0 s TYR 20 Cb 0.00 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.41 3fe0 s TYR 20 CO 0.00 -3.86 0.42 0.54 -1.34 0.00 0.00 175.55 171.31 3fe0 n ARG 21 N 6.44 -3.65 -1.00 4.97 5.12 -1.26 -1.40 116.66 125.89 3fe0 n ARG 21 Ca 0.17 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 3fe0 n ARG 21 Cb 0.42 -5.43 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 3fe0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fe0 n GLY 22 N -1.23 0.49 3.58 -0.13 0.00 -0.76 -5.01 105.19 102.14 3fe0 n GLY 22 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3fe0 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fe0 s ILE 23 N -2.05 5.28 0.69 -0.61 1.01 -0.49 -4.90 121.20 120.13 3fe0 s ILE 23 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 3fe0 s ILE 23 Cb 0.00 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.90 3fe0 s ILE 23 CO 0.00 0.19 1.11 -0.94 0.00 0.00 0.00 174.94 175.30 3fe0 s SER 24 N 1.74 4.93 0.26 3.58 1.04 -1.26 -0.47 113.70 123.52 3fe0 s SER 24 Ca 0.08 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.46 3fe0 s SER 24 Cb -0.16 -2.55 0.40 0.00 0.10 0.00 0.00 66.02 63.81 3fe0 s SER 24 CO 0.11 -1.75 1.88 0.25 0.98 0.00 0.00 173.24 174.71 3fe0 h LEU 25 N -0.25 1.03 -1.75 2.42 5.85 -1.91 -1.28 115.31 119.43 3fe0 h LEU 25 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3fe0 h LEU 25 Cb 1.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3fe0 h LEU 25 CO 0.53 0.66 0.17 0.00 -0.34 0.00 0.00 178.44 179.46 3fe0 h ALA 26 N 1.45 1.82 -0.26 1.25 0.00 -1.92 -1.03 119.26 120.58 3fe0 h ALA 26 Ca 0.43 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 3fe0 h ALA 26 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fe0 h ALA 26 CO -0.17 0.16 -0.54 -0.91 0.00 0.00 0.00 179.25 177.79 3fe0 h ASN 27 N 0.34 0.87 -0.61 0.00 2.35 -1.56 -1.06 115.58 115.91 3fe0 h ASN 27 Ca 0.10 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 3fe0 h ASN 27 Cb -0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3fe0 h ASN 27 CO -0.02 1.23 0.07 -0.50 -1.65 0.00 0.00 177.43 176.56 3fe0 h TRP 28 N 0.60 1.13 -0.44 1.19 4.06 -1.05 -1.44 115.95 120.00 3fe0 h TRP 28 Ca 0.01 -0.16 -0.05 0.00 2.06 0.00 0.00 58.89 60.75 3fe0 h TRP 28 Cb 1.13 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.97 3fe0 h TRP 28 CO 0.06 0.96 0.09 0.52 -3.56 0.00 0.00 178.44 176.51 3fe0 h MET 29 N 0.98 0.71 -0.76 0.49 2.86 -1.11 -1.17 114.93 116.93 3fe0 h MET 29 Ca 0.19 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fe0 h MET 29 Cb 0.47 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3fe0 h MET 29 CO 0.02 0.73 0.47 0.00 1.06 0.00 0.00 176.91 179.19 3fe0 h LEU 31 N 1.04 -0.12 -1.15 0.00 5.85 -1.03 -2.53 115.31 117.37 3fe0 h LEU 31 Ca 0.28 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3fe0 h LEU 31 Cb -0.05 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3fe0 h LEU 31 CO -0.05 -0.04 0.47 0.00 -0.34 0.00 0.00 178.44 178.48 3fe0 h ALA 32 N 0.68 1.36 0.13 1.25 0.00 -0.98 -0.89 119.26 120.82 3fe0 h ALA 32 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fe0 h ALA 32 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fe0 h ALA 32 CO 0.02 0.55 -0.06 -0.22 0.00 0.00 0.00 179.25 179.54 3fe0 h LYS 33 N 1.07 -0.17 0.00 0.00 1.63 -0.97 -2.06 116.57 116.06 3fe0 h LYS 33 Ca 0.28 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.01 3fe0 h LYS 33 Cb -0.05 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3fe0 h LYS 33 CO -0.05 -0.10 -0.40 -1.49 -3.45 0.00 0.00 179.45 173.96 3fe0 h TRP 34 N -0.19 0.00 0.15 1.91 4.06 -1.31 -0.49 115.95 120.08 3fe0 h TRP 34 Ca -0.02 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.71 3fe0 h TRP 34 Cb 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.34 3fe0 h TRP 34 CO -0.06 0.40 -0.96 0.93 -3.56 0.00 0.00 178.44 175.19 3fe0 h GLU 35 N 0.00 0.38 0.00 0.49 4.39 -1.14 -3.43 114.58 115.27 3fe0 h GLU 35 Ca -0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 3fe0 h GLU 35 Cb 1.24 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 3fe0 h GLU 35 CO 0.05 1.28 0.00 -1.13 -1.16 0.00 0.00 179.01 178.06 3fe0 n SER 36 N -4.03 0.08 -1.44 1.42 3.41 -0.81 -4.85 113.62 107.40 3fe0 n SER 36 Ca -0.14 -0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 57.78 3fe0 n SER 36 Cb 0.88 0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.90 3fe0 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fe0 n GLY 37 N 0.07 -0.09 2.29 5.00 0.00 -0.19 -2.60 105.19 109.66 3fe0 n GLY 37 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3fe0 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fe0 n TYR 38 N -4.00 -0.52 -3.70 1.61 4.01 -1.17 -4.79 117.16 108.60 3fe0 n TYR 38 Ca -0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.24 3fe0 n TYR 38 Cb 0.60 -2.88 -0.12 0.00 -0.31 0.00 0.00 39.34 36.63 3fe0 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3fe0 s ASN 39 N -2.47 5.35 0.48 7.72 2.47 -1.07 -1.22 114.94 126.20 3fe0 s ASN 39 Ca 0.00 -0.46 0.31 0.00 0.42 0.00 0.00 52.86 53.12 3fe0 s ASN 39 Cb 0.00 -1.96 1.17 0.00 -1.45 0.00 0.00 41.25 39.01 3fe0 s ASN 39 CO 0.00 -0.14 1.89 0.71 -3.72 0.00 0.00 177.10 175.84 3fe0 h THR 40 N 5.66 0.00 -0.01 -5.21 1.35 -1.57 -3.04 112.91 110.09 3fe0 h THR 40 Ca -0.34 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3fe0 h THR 40 Cb 1.15 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3fe0 h THR 40 CO 0.60 0.00 -0.30 0.54 -0.25 0.00 0.00 175.52 176.11 3fe0 n ARG 41 N -2.94 0.73 -1.71 4.72 1.74 -1.26 -4.16 116.66 113.78 3fe0 n ARG 41 Ca 0.01 -0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 56.22 3fe0 n ARG 41 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3fe0 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fe0 n ALA 42 N -0.76 2.01 -3.37 7.54 0.00 -1.15 -4.79 120.51 119.99 3fe0 n ALA 42 Ca 0.11 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 3fe0 n ALA 42 Cb 0.35 -2.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 3fe0 n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fe0 s THR 43 N 0.41 -0.03 -0.13 0.00 2.01 -1.26 -0.69 115.64 115.95 3fe0 s THR 43 Ca 0.70 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 3fe0 s THR 43 Cb -0.57 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 71.84 3fe0 s THR 43 CO 0.43 0.04 -0.01 0.21 -0.69 0.00 0.00 174.62 174.61 3fe0 s ASN 44 N 0.61 2.30 -0.04 3.53 2.47 -0.60 -4.98 114.94 118.23 3fe0 s ASN 44 Ca -0.05 -0.44 -0.25 0.00 0.42 0.00 0.00 52.86 52.54 3fe0 s ASN 44 Cb -0.07 -0.63 -0.04 0.00 -1.45 0.00 0.00 41.25 39.06 3fe0 s ASN 44 CO -0.02 -0.21 0.76 -0.47 -3.72 0.00 0.00 177.10 173.44 3fe0 s TYR 45 N 1.84 3.62 -0.70 0.43 5.04 -1.26 -0.67 117.35 125.64 3fe0 s TYR 45 Ca 0.02 1.37 -0.14 0.00 -2.44 0.00 0.00 57.07 55.88 3fe0 s TYR 45 Cb -0.14 -2.87 0.18 0.00 0.35 0.00 0.00 41.96 39.48 3fe0 s TYR 45 CO -0.07 0.10 0.64 -0.80 -1.34 0.00 0.00 175.55 174.08 3fe0 s ASN 46 N 0.71 6.47 0.54 4.32 0.01 0.60 -4.91 114.94 122.67 3fe0 s ASN 46 Ca 0.41 -2.33 0.22 0.00 -0.71 0.00 0.00 52.86 50.44 3fe0 s ASN 46 Cb -0.19 -2.19 1.41 0.00 0.41 0.00 0.00 41.25 40.69 3fe0 s ASN 46 CO 0.21 -0.68 2.11 0.00 -1.51 0.00 0.00 177.10 177.23 3fe0 h ALA 47 N 8.19 2.06 -0.66 0.60 0.00 -1.95 -0.56 119.26 126.94 3fe0 h ALA 47 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fe0 h ALA 47 Cb 1.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3fe0 h ALA 47 CO 0.86 -0.21 0.28 0.78 0.00 0.00 0.00 179.25 180.95 3fe0 h GLY 48 N 0.00 1.03 0.00 0.00 0.00 -1.94 -3.33 103.07 98.83 3fe0 h GLY 48 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fe0 h GLY 48 CO -0.00 0.50 0.00 2.09 0.00 0.00 0.00 176.54 179.13 3fe0 n ASP 49 N -4.31 1.20 -0.51 0.19 5.68 -1.05 -5.02 116.55 112.72 3fe0 n ASP 49 Ca 0.06 -1.53 -0.07 0.00 -0.50 0.00 0.00 54.79 52.75 3fe0 n ASP 49 Cb 0.16 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 3fe0 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3fe0 n ARG 50 N -0.27 -0.91 -3.70 0.11 1.74 -0.24 -4.83 116.66 108.57 3fe0 n ARG 50 Ca 0.00 0.64 -0.20 0.00 -0.77 0.00 0.00 57.85 57.52 3fe0 n ARG 50 Cb 0.28 -4.55 -0.02 0.00 -1.02 0.00 0.00 32.46 27.15 3fe0 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fe0 s SER 51 N -2.52 5.83 0.02 0.55 1.04 -1.21 -4.53 113.70 112.88 3fe0 s SER 51 Ca 0.00 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.25 3fe0 s SER 51 Cb 0.00 -1.30 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 3fe0 s SER 51 CO 0.00 -0.31 -0.12 -0.89 0.98 0.00 0.00 173.24 172.90 3fe0 s THR 52 N -2.17 0.94 -0.18 2.02 2.01 -1.26 -0.29 115.64 116.71 3fe0 s THR 52 Ca 0.41 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 3fe0 s THR 52 Cb -0.08 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3fe0 s THR 52 CO 0.29 0.09 0.15 -1.81 -0.69 0.00 0.00 174.62 172.65 3fe0 s ASP 53 N -0.75 6.28 -0.02 3.53 1.01 0.16 -1.29 116.67 125.57 3fe0 s ASP 53 Ca 0.02 0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.67 3fe0 s ASP 53 Cb -0.06 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3fe0 s ASP 53 CO 0.00 0.22 -0.24 -0.31 0.21 0.00 0.00 175.17 175.05 3fe0 s TYR 54 N 0.09 2.20 0.00 4.23 1.51 0.03 -1.56 117.35 123.84 3fe0 s TYR 54 Ca 0.10 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3fe0 s TYR 54 Cb -0.11 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 3fe0 s TYR 54 CO -0.00 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 3fe0 n GLY 55 N 2.55 -1.71 0.28 0.71 0.00 0.13 -1.61 105.19 105.55 3fe0 n GLY 55 Ca -0.16 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.61 3fe0 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fe0 h ILE 56 N 0.00 1.02 -0.09 -0.61 2.10 -1.71 -1.72 117.51 116.51 3fe0 h ILE 56 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 3fe0 h ILE 56 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3fe0 h ILE 56 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.15 177.60 3fe0 n PHE 57 N -4.51 0.08 -3.59 2.19 3.72 -1.26 -4.03 117.46 110.06 3fe0 n PHE 57 Ca -0.00 -0.05 -0.26 0.00 -0.05 0.00 0.00 57.45 57.08 3fe0 n PHE 57 Cb 0.11 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3fe0 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fe0 n GLN 58 N 1.12 -1.91 -2.71 -1.08 1.13 -0.65 -4.93 117.38 108.36 3fe0 n GLN 58 Ca 0.12 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 3fe0 n GLN 58 Cb 0.50 -4.64 -0.03 0.00 0.11 0.00 0.00 30.24 26.17 3fe0 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3fe0 s ILE 59 N -3.48 4.86 0.26 5.09 1.01 -0.63 -4.47 121.20 123.84 3fe0 s ILE 59 Ca 0.41 2.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.81 3fe0 s ILE 59 Cb -0.12 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3fe0 s ILE 59 CO 0.83 0.14 1.02 0.21 0.00 0.00 0.00 174.94 177.14 3fe0 s ASN 60 N 1.02 7.43 0.00 3.58 3.84 -1.26 -0.79 114.94 128.76 3fe0 s ASN 60 Ca 0.51 2.11 0.26 0.00 0.21 0.00 0.00 52.86 55.96 3fe0 s ASN 60 Cb -0.21 -2.62 1.23 0.00 -0.55 0.00 0.00 41.25 39.10 3fe0 s ASN 60 CO 0.26 -0.01 1.87 -1.54 -2.79 0.00 0.00 177.10 174.89 3fe0 n SER 61 N 1.29 0.00 0.10 -4.21 3.41 -0.41 -2.08 113.62 111.72 3fe0 n SER 61 Ca -0.01 0.19 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 3fe0 n SER 61 Cb 0.46 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 3fe0 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3fe0 h ARG 62 N 0.00 0.31 0.00 4.33 2.43 -1.85 -3.41 114.38 116.18 3fe0 h ARG 62 Ca 0.00 -0.53 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 3fe0 h ARG 62 Cb 0.34 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3fe0 h ARG 62 CO 0.00 1.23 -1.41 0.66 -1.51 0.00 0.00 179.97 178.94 3fe0 n TYR 63 N -3.54 0.00 -0.10 2.20 4.01 -1.23 -0.94 117.16 117.55 3fe0 n TYR 63 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.42 3fe0 n TYR 63 Cb 1.04 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.71 3fe0 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3fe0 n TRP 64 N -2.15 0.00 -4.37 -0.72 7.02 -0.88 -1.17 117.44 115.17 3fe0 n TRP 64 Ca -0.09 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.20 3fe0 n TRP 64 Cb 0.61 -0.77 -0.10 0.00 -2.42 0.00 0.00 31.31 28.63 3fe0 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fe0 s ASN 66 N -3.35 5.55 0.00 0.00 2.47 -0.53 -4.45 114.94 114.63 3fe0 s ASN 66 Ca 0.24 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 53.51 3fe0 s ASN 66 Cb -0.01 -1.98 0.01 0.00 -1.45 0.00 0.00 41.25 37.83 3fe0 s ASN 66 CO 0.08 0.08 0.61 -0.90 -3.72 0.00 0.00 177.10 173.25 3fe0 n ASP 67 N 4.19 1.25 0.00 -4.21 5.68 -1.26 -1.35 116.55 120.85 3fe0 n ASP 67 Ca -0.16 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 3fe0 n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3fe0 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fe0 n GLY 68 N 0.02 2.15 0.51 6.12 0.00 -1.26 -4.76 105.19 107.96 3fe0 n GLY 68 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3fe0 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fe0 n LYS 69 N -1.85 2.84 -3.69 1.61 2.85 -1.26 -4.96 118.16 113.71 3fe0 n LYS 69 Ca 0.00 -1.92 -0.37 0.00 -1.05 0.00 0.00 58.31 54.97 3fe0 n LYS 69 Cb 0.00 -1.21 -0.12 0.00 -0.65 0.00 0.00 35.03 33.05 3fe0 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3fe0 s THR 70 N -0.99 4.66 0.34 0.58 2.01 -1.26 -4.95 115.64 116.03 3fe0 s THR 70 Ca 0.18 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 3fe0 s THR 70 Cb 0.10 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 69.28 3fe0 s THR 70 CO 0.13 0.27 1.33 -2.84 -0.69 0.00 0.00 174.62 172.82 3fe0 s PRO 71 N 1.66 4.29 -0.94 4.92 0.02 -1.26 -3.10 135.00 140.59 3fe0 s PRO 71 Ca 0.06 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3fe0 s PRO 71 Cb -0.16 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3fe0 s PRO 71 CO 0.06 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3fe0 n GLY 72 N 0.74 0.76 3.76 0.52 0.00 -1.26 -4.95 105.19 104.76 3fe0 n GLY 72 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3fe0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fe0 s ALA 73 N -2.39 3.64 -0.18 4.61 0.00 -1.18 -4.86 121.76 121.40 3fe0 s ALA 73 Ca 0.00 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.51 3fe0 s ALA 73 Cb 0.00 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 3fe0 s ALA 73 CO 0.00 -0.92 -0.10 0.28 0.00 0.00 0.00 175.76 175.02 3fe0 n VAL 74 N 1.50 1.12 -3.47 0.00 0.31 -0.12 -5.01 118.33 112.66 3fe0 n VAL 74 Ca 0.05 -0.51 -0.21 0.00 -0.01 0.00 0.00 64.34 63.66 3fe0 n VAL 74 Cb 0.39 -1.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.37 3fe0 n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3fe0 n ASN 75 N -2.92 -4.79 0.25 4.52 5.15 -1.16 -4.91 115.26 111.40 3fe0 n ASN 75 Ca -0.32 -0.80 0.10 0.00 -0.60 0.00 0.00 54.58 52.96 3fe0 n ASN 75 Cb 0.92 -4.50 0.64 0.00 -0.53 0.00 0.00 39.78 36.31 3fe0 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fe0 h ALA 76 N 0.44 1.37 -0.00 5.20 0.00 -1.05 -2.29 119.26 122.94 3fe0 h ALA 76 Ca -0.62 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3fe0 h ALA 76 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fe0 h ALA 76 CO 0.48 0.20 -0.22 0.00 0.00 0.00 0.00 179.25 179.70 3fe0 n HIS 78 N -1.38 -1.92 -3.93 0.00 -0.00 -0.86 -4.97 115.22 102.16 3fe0 n HIS 78 Ca 0.08 0.82 -0.10 0.00 -0.00 0.00 0.00 57.72 58.52 3fe0 n HIS 78 Cb 0.33 -4.35 -0.11 0.00 -0.00 0.00 0.00 29.99 25.86 3fe0 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3fe0 s LEU 79 N -6.63 1.93 0.31 2.41 1.43 -1.26 -5.08 118.68 111.78 3fe0 s LEU 79 Ca 0.03 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 3fe0 s LEU 79 Cb -0.01 0.35 -0.09 0.00 0.03 0.00 0.00 46.19 46.46 3fe0 s LEU 79 CO 0.81 -0.31 1.02 -0.55 0.23 0.00 0.00 176.35 177.55 3fe0 s SER 80 N -1.33 7.24 0.65 2.29 0.15 -1.26 -1.45 113.70 119.99 3fe0 s SER 80 Ca -0.14 2.06 0.43 0.00 0.70 0.00 0.00 55.95 59.00 3fe0 s SER 80 Cb -0.08 -2.60 2.27 0.00 -1.71 0.00 0.00 66.02 63.89 3fe0 s SER 80 CO 0.00 -0.15 2.32 0.00 1.20 0.00 0.00 173.24 176.61 3fe0 h SER 82 N 0.00 0.34 0.31 0.00 0.87 -1.91 -1.16 113.55 112.00 3fe0 h SER 82 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3fe0 h SER 82 Cb 0.07 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3fe0 h SER 82 CO 0.00 0.24 -0.06 0.00 -0.53 0.00 0.00 176.83 176.49 3fe0 h ALA 83 N 1.81 1.22 -0.22 6.23 0.00 -1.61 -1.83 119.26 124.86 3fe0 h ALA 83 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fe0 h ALA 83 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fe0 h ALA 83 CO -0.03 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3fe0 n LEU 84 N -3.47 1.43 -0.30 0.00 4.77 -0.44 -3.62 117.00 115.39 3fe0 n LEU 84 Ca -0.02 -0.68 0.04 0.00 -0.03 0.00 0.00 56.01 55.33 3fe0 n LEU 84 Cb 0.18 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3fe0 n LEU 84 CO 0.27 0.34 0.57 0.18 -1.33 0.00 0.00 177.39 177.42 3fe0 n LEU 85 N 0.23 2.54 -4.88 2.23 4.77 -0.69 -3.44 117.00 117.77 3fe0 n LEU 85 Ca 0.12 -2.29 -0.30 0.00 -0.03 0.00 0.00 56.01 53.51 3fe0 n LEU 85 Cb 0.25 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3fe0 n LEU 85 CO 0.09 0.62 0.66 -1.10 -1.33 0.00 0.00 177.39 176.33 3fe0 s GLN 86 N -1.51 3.60 0.24 3.23 -0.21 -1.24 -4.63 119.66 119.14 3fe0 s GLN 86 Ca 0.17 0.63 0.08 0.00 0.02 0.00 0.00 55.36 56.25 3fe0 s GLN 86 Cb 0.12 -2.15 0.24 0.00 1.00 0.00 0.00 33.01 32.22 3fe0 s GLN 86 CO 0.06 -0.48 1.54 -0.44 -2.12 0.00 0.00 175.29 173.85 3fe0 h ASP 87 N -0.17 0.10 -3.43 5.90 3.32 -1.93 -3.41 116.42 116.81 3fe0 h ASP 87 Ca -0.45 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 55.96 3fe0 h ASP 87 Cb 1.19 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 3fe0 h ASP 87 CO 0.62 0.75 0.73 0.21 -1.72 0.00 0.00 179.24 179.83 3fe0 s ASN 88 N -6.86 6.78 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.96 3fe0 s ASN 88 Ca -0.02 0.78 0.09 0.00 0.21 0.00 0.00 52.86 53.92 3fe0 s ASN 88 Cb 0.12 -2.50 0.27 0.00 -0.55 0.00 0.00 41.25 38.58 3fe0 s ASN 88 CO 0.78 -0.89 1.19 2.30 -2.79 0.00 0.00 177.10 177.70 3fe0 n ILE 89 N 5.99 0.47 -0.12 -5.21 -5.35 -1.26 -4.45 119.36 109.43 3fe0 n ILE 89 Ca 0.10 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.12 3fe0 n ILE 89 Cb 0.48 0.13 0.03 0.00 -1.74 0.00 0.00 39.64 38.54 3fe0 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fe0 h ALA 90 N 3.47 0.38 -0.53 -1.28 0.00 -1.95 -0.11 119.26 119.23 3fe0 h ALA 90 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3fe0 h ALA 90 Cb 0.47 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fe0 h ALA 90 CO 0.02 -0.39 -0.03 -0.44 0.00 0.00 0.00 179.25 178.41 3fe0 h ASP 91 N 0.11 0.90 -0.68 0.00 3.32 -1.87 -1.41 116.42 116.80 3fe0 h ASP 91 Ca 0.20 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 3fe0 h ASP 91 Cb 0.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3fe0 h ASP 91 CO -0.33 0.98 0.19 0.00 -1.72 0.00 0.00 179.24 178.36 3fe0 h ALA 92 N 1.12 1.03 -0.40 3.45 0.00 -1.66 -1.14 119.26 121.66 3fe0 h ALA 92 Ca 0.15 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3fe0 h ALA 92 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fe0 h ALA 92 CO 0.03 0.64 -0.12 0.28 0.00 0.00 0.00 179.25 180.09 3fe0 h VAL 93 N 1.04 1.28 -0.91 0.00 2.07 -0.80 0.60 116.25 119.53 3fe0 h VAL 93 Ca 0.22 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3fe0 h VAL 93 Cb 0.33 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3fe0 h VAL 93 CO -0.00 0.41 0.55 0.00 0.02 0.00 0.00 177.57 178.54 3fe0 h ALA 94 N 0.83 1.15 -0.25 1.67 0.00 -0.95 -0.65 119.26 121.07 3fe0 h ALA 94 Ca 0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3fe0 h ALA 94 Cb 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fe0 h ALA 94 CO 0.04 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.31 3fe0 h ALA 96 N 0.69 1.44 -0.53 0.00 0.00 -0.45 -1.09 119.26 119.32 3fe0 h ALA 96 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fe0 h ALA 96 Cb 1.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3fe0 h ALA 96 CO 0.13 0.48 0.08 0.87 0.00 0.00 0.00 179.25 180.81 3fe0 h LYS 97 N 0.91 0.85 -0.57 0.00 1.57 -1.00 -2.64 116.57 115.69 3fe0 h LYS 97 Ca 0.24 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3fe0 h LYS 97 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3fe0 h LYS 97 CO -0.04 0.79 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.52 3fe0 h ARG 98 N 0.81 1.02 -0.50 3.15 9.65 -0.91 -2.97 114.38 124.63 3fe0 h ARG 98 Ca 0.17 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.75 3fe0 h ARG 98 Cb 0.36 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 3fe0 h ARG 98 CO 0.01 1.02 0.27 0.28 2.80 0.00 0.00 179.97 184.34 3fe0 h VAL 99 N 0.91 0.99 0.00 0.20 2.07 -0.90 -2.17 116.25 117.35 3fe0 h VAL 99 Ca 0.16 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3fe0 h VAL 99 Cb 0.57 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3fe0 h VAL 99 CO 0.03 0.10 0.00 1.33 0.02 0.00 0.00 177.57 179.05 3fe0 n VAL 100 N -4.86 0.10 0.76 2.57 0.24 -1.05 -2.70 118.33 113.39 3fe0 n VAL 100 Ca 0.04 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.49 3fe0 n VAL 100 Cb 0.11 -0.58 0.50 0.00 -1.47 0.00 0.00 33.84 32.39 3fe0 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fe0 n ARG 101 N -1.20 0.13 -2.24 7.34 1.74 -0.81 -4.22 116.66 117.40 3fe0 n ARG 101 Ca 0.15 0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 57.06 3fe0 n ARG 101 Cb 0.18 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 3fe0 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fe0 s ASP 102 N -3.79 6.43 0.30 0.55 1.11 -1.10 -4.97 116.67 115.19 3fe0 s ASP 102 Ca 0.11 1.42 0.01 0.00 0.18 0.00 0.00 52.55 54.28 3fe0 s ASP 102 Cb 0.15 -2.46 0.72 0.00 1.07 0.00 0.00 42.92 42.40 3fe0 s ASP 102 CO 0.54 -0.68 1.59 -0.65 1.18 0.00 0.00 175.17 177.15 3fe0 h PRO 103 N 0.40 0.05 0.00 8.23 0.11 -1.89 -1.66 132.00 137.24 3fe0 h PRO 103 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3fe0 h PRO 103 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fe0 h PRO 103 CO 0.62 0.03 -0.07 1.96 -0.21 0.00 0.00 178.00 180.33 3fe0 h GLN 104 N 0.05 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.02 3fe0 h GLN 104 Ca 0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.28 3fe0 h GLN 104 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3fe0 h GLN 104 CO -0.85 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 177.79 3fe0 n GLY 105 N -1.19 2.24 0.03 3.46 0.00 -0.63 -2.25 105.19 106.86 3fe0 n GLY 105 Ca -0.03 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.57 3fe0 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fe0 n ILE 106 N 0.00 0.94 0.77 -0.61 3.06 -1.26 -2.30 119.36 119.95 3fe0 n ILE 106 Ca 0.00 0.24 0.08 0.00 -2.50 0.00 0.00 62.75 60.57 3fe0 n ILE 106 Cb 0.00 -1.03 0.42 0.00 0.54 0.00 0.00 39.64 39.56 3fe0 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3fe0 n ARG 107 N -1.69 0.20 0.27 9.51 1.74 -0.95 -2.79 116.66 122.95 3fe0 n ARG 107 Ca 0.03 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 3fe0 n ARG 107 Cb 0.19 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 30.87 3fe0 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fe0 h ALA 108 N 2.77 1.75 -2.71 7.54 0.00 -1.63 -3.38 119.26 123.60 3fe0 h ALA 108 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.24 3fe0 h ALA 108 Cb 0.18 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.80 3fe0 h ALA 108 CO 0.00 0.03 -0.34 -1.58 0.00 0.00 0.00 179.25 177.36 3fe0 s TRP 109 N -4.82 3.22 0.33 0.00 0.51 -1.12 -4.97 118.94 112.10 3fe0 s TRP 109 Ca -0.05 0.11 0.01 0.00 -2.12 0.00 0.00 56.10 54.05 3fe0 s TRP 109 Cb 0.16 -2.56 0.57 0.00 -0.81 0.00 0.00 33.47 30.83 3fe0 s TRP 109 CO 0.62 -0.31 1.99 0.28 -0.51 0.00 0.00 176.95 179.03 3fe0 h VAL 110 N 5.46 1.18 -0.25 4.03 2.07 -1.89 -2.14 116.25 124.70 3fe0 h VAL 110 Ca -0.32 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3fe0 h VAL 110 Cb 1.16 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3fe0 h VAL 110 CO 0.64 0.17 0.17 0.00 0.02 0.00 0.00 177.57 178.57 3fe0 h ALA 111 N 1.56 1.94 -0.59 1.67 0.00 -1.94 -1.20 119.26 120.70 3fe0 h ALA 111 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3fe0 h ALA 111 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fe0 h ALA 111 CO -0.06 0.02 -0.03 2.35 0.00 0.00 0.00 179.25 181.53 3fe0 h TRP 112 N 0.24 1.18 -0.60 0.00 7.01 -1.70 0.38 115.95 122.45 3fe0 h TRP 112 Ca 0.10 -0.22 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 3fe0 h TRP 112 Cb 0.12 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 3fe0 h TRP 112 CO -0.00 1.05 0.15 0.00 -2.79 0.00 0.00 178.44 176.84 3fe0 h ARG 113 N 0.97 0.97 -0.06 2.65 3.08 -1.28 0.11 114.38 120.82 3fe0 h ARG 113 Ca 0.16 -0.23 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 3fe0 h ARG 113 Cb 0.60 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.53 3fe0 h ARG 113 CO 0.04 0.89 -0.89 -0.91 -1.07 0.00 0.00 179.97 178.02 3fe0 h ASN 114 N 0.88 0.76 0.00 7.04 2.35 -1.23 -3.36 115.58 122.03 3fe0 h ASN 114 Ca 0.19 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3fe0 h ASN 114 Cb 0.36 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3fe0 h ASN 114 CO 0.00 1.35 -0.77 0.54 -1.65 0.00 0.00 177.43 176.90 3fe0 n ARG 115 N -3.85 2.72 0.00 0.81 5.12 0.11 -4.87 116.66 116.70 3fe0 n ARG 115 Ca -0.08 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3fe0 n ARG 115 Cb 0.80 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.07 3fe0 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fe0 n GLN 117 N -2.39 2.12 -1.60 0.00 7.27 -0.10 -2.36 117.38 120.31 3fe0 n GLN 117 Ca 0.00 0.76 -0.20 0.00 0.07 0.00 0.00 57.00 57.62 3fe0 n GLN 117 Cb 0.44 -2.43 -0.08 0.00 2.41 0.00 0.00 30.24 30.57 3fe0 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3fe0 n ASN 118 N 2.24 -5.44 -4.69 1.69 3.02 -1.26 -4.97 115.26 105.85 3fe0 n ASN 118 Ca 0.12 0.49 -0.24 0.00 -0.03 0.00 0.00 54.58 54.91 3fe0 n ASN 118 Cb 0.32 -4.71 -0.07 0.00 -0.61 0.00 0.00 39.78 34.71 3fe0 n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fe0 s ARG 119 N -3.74 2.23 -0.68 3.52 0.52 -1.00 -5.06 118.95 114.74 3fe0 s ARG 119 Ca 0.00 -1.65 -0.26 0.00 -0.52 0.00 0.00 55.73 53.30 3fe0 s ARG 119 Cb 0.00 -2.05 0.04 0.00 0.52 0.00 0.00 34.95 33.46 3fe0 s ARG 119 CO 0.00 0.12 1.17 0.34 0.02 0.00 0.00 175.30 176.95 3fe0 s ASP 120 N -3.79 6.22 -0.06 0.23 -1.08 -1.26 -4.86 116.67 112.08 3fe0 s ASP 120 Ca 0.36 -0.47 0.21 0.00 -0.52 0.00 0.00 52.55 52.13 3fe0 s ASP 120 Cb -0.01 -2.52 0.69 0.00 -1.46 0.00 0.00 42.92 39.62 3fe0 s ASP 120 CO 0.21 -1.65 1.59 1.33 0.52 0.00 0.00 175.17 177.17 3fe0 n VAL 121 N 6.31 1.40 0.24 1.11 0.24 -1.26 -4.49 118.33 121.87 3fe0 n VAL 121 Ca 0.02 -1.08 0.06 0.00 -2.04 0.00 0.00 64.34 61.31 3fe0 n VAL 121 Cb 0.48 0.31 0.56 0.00 -1.47 0.00 0.00 33.84 33.72 3fe0 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3fe0 h ARG 122 N 4.23 0.01 -0.13 7.34 3.08 -1.93 -2.72 114.38 124.26 3fe0 h ARG 122 Ca 0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3fe0 h ARG 122 Cb 1.22 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3fe0 h ARG 122 CO 0.11 0.11 0.17 -0.56 -1.07 0.00 0.00 179.97 178.73 3fe0 h GLN 123 N 0.01 0.00 0.00 0.04 3.07 -1.98 -2.20 115.11 114.05 3fe0 h GLN 123 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.70 3fe0 h GLN 123 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 3fe0 h GLN 123 CO 0.01 0.00 -0.22 1.88 0.09 0.00 0.00 178.83 180.60 3fe0 h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.83 -3.30 116.97 111.95 3fe0 h TYR 124 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3fe0 h TYR 124 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 3fe0 h TYR 124 CO 0.00 0.22 -0.05 1.33 -1.05 0.00 0.00 178.16 178.61 3fe0 n VAL 125 N -3.28 0.00 -1.67 -2.88 0.24 -0.88 -4.84 118.33 105.01 3fe0 n VAL 125 Ca 0.01 -0.48 -0.48 0.00 -2.04 0.00 0.00 64.34 61.36 3fe0 n VAL 125 Cb 0.48 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 3fe0 n VAL 125 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3fe0 n GLN 126 N -0.34 2.09 -1.02 7.34 7.27 -0.88 -2.24 117.38 129.59 3fe0 n GLN 126 Ca 0.01 0.76 -0.01 0.00 0.07 0.00 0.00 57.00 57.83 3fe0 n GLN 126 Cb 0.06 -2.55 -0.00 0.00 2.41 0.00 0.00 30.24 30.15 3fe0 n GLN 126 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fe0 n GLY 127 N 3.80 0.40 0.00 1.69 0.00 -1.26 -4.91 105.19 104.92 3fe0 n GLY 127 Ca 0.20 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3fe0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fe0 n GLY 129 N 1.49 0.41 0.13 0.00 0.00 -1.26 -4.83 105.19 101.13 3fe0 n GLY 129 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.34 3fe0 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65