#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c43 s VAL 2 N 0.00 4.69 0.59 3.17 1.01 -1.26 -1.40 120.40 127.21 1c43 s VAL 2 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1c43 s VAL 2 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1c43 s VAL 2 CO 0.00 -0.32 1.12 -0.36 0.00 0.00 0.00 175.10 175.54 1c43 s PHE 3 N 1.56 2.65 0.20 5.22 0.08 -0.30 -5.00 117.98 122.39 1c43 s PHE 3 Ca 0.03 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.51 1c43 s PHE 3 Cb -0.20 -3.24 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1c43 s PHE 3 CO 0.07 -1.62 0.54 -1.21 -0.10 0.00 0.00 175.22 172.89 1c43 s GLU 4 N -3.64 3.85 0.08 0.44 2.02 -1.26 -4.87 118.70 115.32 1c43 s GLU 4 Ca 0.70 0.33 -0.17 0.00 0.02 0.00 0.00 54.97 55.84 1c43 s GLU 4 Cb -0.22 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1c43 s GLU 4 CO 0.33 0.38 1.30 -0.09 0.02 0.00 0.00 175.26 177.20 1c43 h ARG 5 N 2.90 -0.06 -0.09 1.61 2.43 -1.96 -1.63 114.38 117.58 1c43 h ARG 5 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1c43 h ARG 5 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1c43 h ARG 5 CO 0.68 -0.04 -0.20 0.00 -1.51 0.00 0.00 179.97 178.90 1c43 h GLU 7 N 0.14 0.59 -0.63 0.00 4.81 -1.84 -1.59 114.58 116.06 1c43 h GLU 7 Ca 0.03 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1c43 h GLU 7 Cb 0.44 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1c43 h GLU 7 CO 0.03 0.54 0.18 1.25 -0.73 0.00 0.00 179.01 180.28 1c43 h LEU 8 N 0.50 0.93 -0.32 1.64 5.85 -0.88 -2.15 115.31 120.88 1c43 h LEU 8 Ca 0.13 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1c43 h LEU 8 Cb 0.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1c43 h LEU 8 CO -0.01 0.90 0.09 0.00 -0.34 0.00 0.00 178.44 179.08 1c43 h ALA 9 N 1.06 0.35 -0.37 1.25 0.00 -0.82 0.31 119.26 121.04 1c43 h ALA 9 Ca 0.20 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1c43 h ALA 9 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1c43 h ALA 9 CO -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 179.25 178.87 1c43 h ARG 10 N 0.22 0.61 -0.23 0.00 3.08 -1.22 -2.01 114.38 114.83 1c43 h ARG 10 Ca 0.14 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1c43 h ARG 10 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1c43 h ARG 10 CO -0.16 0.68 -0.00 1.15 -1.07 0.00 0.00 179.97 180.56 1c43 h THR 11 N 0.57 1.26 -0.81 2.04 2.02 -0.66 -2.18 112.91 115.14 1c43 h THR 11 Ca 0.11 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1c43 h THR 11 Cb 0.46 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1c43 h THR 11 CO 0.02 0.28 0.38 -0.07 0.37 0.00 0.00 175.52 176.51 1c43 h LEU 12 N 0.18 1.07 -0.52 2.58 3.38 -0.81 -2.07 115.31 119.11 1c43 h LEU 12 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1c43 h LEU 12 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1c43 h LEU 12 CO 0.01 0.90 0.26 0.50 0.09 0.00 0.00 178.44 180.20 1c43 h LYS 13 N 1.16 0.75 -0.14 1.13 3.64 -1.20 -2.20 116.57 119.71 1c43 h LYS 13 Ca 0.28 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1c43 h LYS 13 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1c43 h LYS 13 CO -0.03 0.62 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.59 1c43 h ARG 14 N 0.70 0.21 -0.06 1.90 2.43 -0.99 -1.75 114.38 116.82 1c43 h ARG 14 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1c43 h ARG 14 Cb 0.11 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1c43 h ARG 14 CO -0.02 0.31 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 1c43 n LEU 15 N -4.33 0.47 -0.76 3.80 4.77 -0.81 -4.91 117.00 115.23 1c43 n LEU 15 Ca -0.01 -0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1c43 n LEU 15 Cb 0.22 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1c43 n LEU 15 CO 0.37 0.10 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 1c43 n GLY 16 N 0.83 0.27 0.14 -0.72 0.00 -0.66 -4.97 105.19 100.09 1c43 n GLY 16 Ca 0.12 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1c43 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1c43 h MET 17 N -0.17 0.00 -6.25 1.61 2.86 -1.59 -3.41 114.93 107.98 1c43 h MET 17 Ca -0.13 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.94 1c43 h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1c43 h MET 17 CO 0.14 0.07 1.24 0.34 1.06 0.00 0.00 176.91 179.76 1c43 s ASP 18 N -5.70 6.05 0.00 1.22 2.15 -1.26 -2.00 116.67 117.13 1c43 s ASP 18 Ca 0.01 1.56 0.00 0.00 0.43 0.00 0.00 52.55 54.55 1c43 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1c43 s ASP 18 CO 0.76 -1.54 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 1c43 n GLY 19 N 5.14 0.61 3.67 2.66 0.00 0.20 -4.90 105.19 112.58 1c43 n GLY 19 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1c43 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c43 s TYR 20 N -2.31 1.63 -1.47 1.61 5.04 -0.85 -1.58 117.35 119.42 1c43 s TYR 20 Ca 0.00 -0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.27 1c43 s TYR 20 Cb 0.00 -4.18 0.08 0.00 0.35 0.00 0.00 41.96 38.22 1c43 s TYR 20 CO 0.00 -5.12 0.75 0.54 -1.34 0.00 0.00 175.55 170.38 1c43 n ARG 21 N 6.93 -4.41 -0.96 4.97 5.12 -1.26 -0.92 116.66 126.12 1c43 n ARG 21 Ca 0.19 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1c43 n ARG 21 Cb 0.40 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.35 1c43 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c43 n GLY 22 N -1.46 0.75 3.55 -0.13 0.00 -0.61 -5.01 105.19 102.28 1c43 n GLY 22 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1c43 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c43 s ILE 23 N -2.95 5.22 0.66 -0.61 1.01 -0.10 -4.90 121.20 119.54 1c43 s ILE 23 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 1c43 s ILE 23 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1c43 s ILE 23 CO 0.00 -0.02 1.16 -0.94 0.00 0.00 0.00 174.94 175.14 1c43 s SER 24 N 1.73 4.84 0.25 3.58 1.04 -1.26 -0.62 113.70 123.25 1c43 s SER 24 Ca 0.10 2.21 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 1c43 s SER 24 Cb -0.17 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.77 1c43 s SER 24 CO 0.11 -1.82 1.83 0.25 0.98 0.00 0.00 173.24 174.59 1c43 h LEU 25 N 0.15 0.78 -2.14 2.42 5.85 -1.91 -1.05 115.31 119.41 1c43 h LEU 25 Ca -0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1c43 h LEU 25 Cb 1.27 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1c43 h LEU 25 CO 0.53 0.46 0.01 0.00 -0.34 0.00 0.00 178.44 179.10 1c43 h ALA 26 N 1.45 1.87 -0.16 1.25 0.00 -1.92 -1.01 119.26 120.73 1c43 h ALA 26 Ca 0.40 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 1c43 h ALA 26 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1c43 h ALA 26 CO -0.22 -0.01 -0.73 -0.91 0.00 0.00 0.00 179.25 177.37 1c43 h ASN 27 N 0.00 0.93 -0.50 0.00 2.35 -1.52 -1.12 115.58 115.71 1c43 h ASN 27 Ca 0.01 -0.62 -0.08 0.00 -0.55 0.00 0.00 56.30 55.06 1c43 h ASN 27 Cb 0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1c43 h ASN 27 CO -0.00 1.40 0.04 -0.50 -1.65 0.00 0.00 177.43 176.72 1c43 h TRP 28 N 0.52 0.97 -0.43 1.19 4.06 -1.16 -0.56 115.95 120.54 1c43 h TRP 28 Ca -0.05 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1c43 h TRP 28 Cb 1.36 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 1c43 h TRP 28 CO 0.09 0.86 0.04 0.52 -3.56 0.00 0.00 178.44 176.38 1c43 h MET 29 N 0.85 0.73 -0.85 0.49 2.86 -1.16 -0.93 114.93 116.91 1c43 h MET 29 Ca 0.17 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1c43 h MET 29 Cb 0.45 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1c43 h MET 29 CO 0.02 0.78 0.42 0.00 1.06 0.00 0.00 176.91 179.18 1c43 h LEU 31 N 1.21 -0.09 -1.05 0.00 5.85 -0.86 -2.50 115.31 117.85 1c43 h LEU 31 Ca 0.29 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1c43 h LEU 31 Cb 0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1c43 h LEU 31 CO -0.04 0.10 0.48 0.00 -0.34 0.00 0.00 178.44 178.63 1c43 h ALA 32 N 0.62 1.28 -0.03 1.25 0.00 -1.03 0.19 119.26 121.53 1c43 h ALA 32 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1c43 h ALA 32 Cb 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1c43 h ALA 32 CO 0.02 0.60 0.00 -0.22 0.00 0.00 0.00 179.25 179.65 1c43 h LYS 33 N 1.15 0.01 0.00 0.00 1.63 -1.15 -1.87 116.57 116.34 1c43 h LYS 33 Ca 0.29 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 1c43 h LYS 33 Cb -0.01 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1c43 h LYS 33 CO -0.05 0.01 -0.31 -1.49 -3.45 0.00 0.00 179.45 174.15 1c43 h TRP 34 N 0.01 0.00 0.19 1.91 4.06 -1.27 -1.27 115.95 119.59 1c43 h TRP 34 Ca 0.01 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.69 1c43 h TRP 34 Cb 0.01 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1c43 h TRP 34 CO -0.09 0.26 -1.26 0.93 -3.56 0.00 0.00 178.44 174.72 1c43 h GLU 35 N 0.00 0.40 0.00 0.49 4.39 -0.90 -3.43 114.58 115.54 1c43 h GLU 35 Ca -0.01 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.00 1c43 h GLU 35 Cb 1.21 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1c43 h GLU 35 CO 0.03 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1c43 n SER 36 N -3.88 0.04 -1.46 1.42 3.41 -0.75 -4.84 113.62 107.56 1c43 n SER 36 Ca -0.18 -0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 57.92 1c43 n SER 36 Cb 0.98 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 1c43 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c43 n GLY 37 N 0.07 0.12 2.55 5.00 0.00 -0.48 -3.02 105.19 109.42 1c43 n GLY 37 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1c43 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c43 n TYR 38 N -3.84 -1.20 -3.82 1.61 0.53 -1.13 -4.78 117.16 104.54 1c43 n TYR 38 Ca -0.06 0.20 -0.36 0.00 -1.02 0.00 0.00 57.90 56.66 1c43 n TYR 38 Cb 0.56 -3.71 -0.13 0.00 -1.03 0.00 0.00 39.34 35.03 1c43 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1c43 s ASN 39 N -2.45 4.82 0.50 7.72 2.47 -1.17 -1.15 114.94 125.69 1c43 s ASN 39 Ca 0.11 -0.50 0.31 0.00 0.42 0.00 0.00 52.86 53.20 1c43 s ASN 39 Cb -0.05 -1.83 1.12 0.00 -1.45 0.00 0.00 41.25 39.03 1c43 s ASN 39 CO 0.14 -0.10 1.88 0.71 -3.72 0.00 0.00 177.10 176.02 1c43 h THR 40 N 5.76 0.00 -0.28 -5.21 1.35 -1.56 -3.16 112.91 109.81 1c43 h THR 40 Ca -0.36 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1c43 h THR 40 Cb 1.15 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1c43 h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 1c43 n ARG 41 N -3.02 2.36 -1.82 4.72 -4.01 -1.26 -4.06 116.66 109.57 1c43 n ARG 41 Ca 0.02 -2.04 -0.42 0.00 -1.04 0.00 0.00 57.85 54.37 1c43 n ARG 41 Cb 0.35 -1.49 -0.03 0.00 -3.04 0.00 0.00 32.46 28.25 1c43 n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1c43 s ALA 42 N -1.65 3.83 0.03 2.89 0.00 -1.20 -4.79 121.76 120.88 1c43 s ALA 42 Ca 0.36 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.86 1c43 s ALA 42 Cb 0.22 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1c43 s ALA 42 CO 0.31 -0.88 -0.11 0.95 0.00 0.00 0.00 175.76 176.03 1c43 s THR 43 N 0.84 0.84 -0.15 0.00 -4.23 -1.26 -0.51 115.64 111.17 1c43 s THR 43 Ca 0.70 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1c43 s THR 43 Cb -0.47 -0.79 0.07 0.00 1.34 0.00 0.00 72.50 72.64 1c43 s THR 43 CO 0.36 -0.10 0.16 0.21 -0.54 0.00 0.00 174.62 174.72 1c43 s ASN 44 N -1.13 1.41 0.02 3.99 2.47 -0.15 -4.97 114.94 116.58 1c43 s ASN 44 Ca -0.02 -0.13 -0.26 0.00 0.42 0.00 0.00 52.86 52.87 1c43 s ASN 44 Cb -0.08 0.18 -0.05 0.00 -1.45 0.00 0.00 41.25 39.85 1c43 s ASN 44 CO 0.01 -0.30 0.80 -0.47 -3.72 0.00 0.00 177.10 173.41 1c43 s TYR 45 N 2.26 3.70 -0.68 0.43 6.14 -1.26 -0.47 117.35 127.47 1c43 s TYR 45 Ca 0.04 1.48 -0.10 0.00 0.64 0.00 0.00 57.07 59.13 1c43 s TYR 45 Cb -0.14 -2.87 0.18 0.00 0.42 0.00 0.00 41.96 39.54 1c43 s TYR 45 CO -0.09 0.19 0.57 -0.80 0.64 0.00 0.00 175.55 176.07 1c43 s ASN 46 N 0.27 6.08 0.47 4.32 0.01 0.26 -4.93 114.94 121.41 1c43 s ASN 46 Ca 0.41 -2.53 0.21 0.00 -0.71 0.00 0.00 52.86 50.24 1c43 s ASN 46 Cb -0.20 -2.07 1.21 0.00 0.41 0.00 0.00 41.25 40.60 1c43 s ASN 46 CO 0.23 -0.56 1.92 0.00 -1.51 0.00 0.00 177.10 177.18 1c43 h ALA 47 N 7.77 2.34 0.00 0.60 0.00 -1.96 0.00 119.26 128.02 1c43 h ALA 47 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1c43 h ALA 47 Cb 1.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1c43 h ALA 47 CO 0.79 -0.56 -0.15 0.78 0.00 0.00 0.00 179.25 180.11 1c43 h GLY 48 N 0.25 0.00 0.00 0.00 0.00 -1.95 -3.29 103.07 98.08 1c43 h GLY 48 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1c43 h GLY 48 CO -0.08 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.55 1c43 n ASP 49 N -4.32 0.62 -1.55 0.19 5.75 -0.98 -5.03 116.55 111.24 1c43 n ASP 49 Ca -0.03 -1.24 -0.16 0.00 -0.01 0.00 0.00 54.79 53.36 1c43 n ASP 49 Cb 0.22 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 1c43 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1c43 n ARG 50 N -0.12 -1.18 -4.19 0.11 1.74 -0.05 -4.81 116.66 108.16 1c43 n ARG 50 Ca 0.00 0.88 -0.23 0.00 -0.77 0.00 0.00 57.85 57.73 1c43 n ARG 50 Cb 0.31 -5.16 -0.06 0.00 -1.02 0.00 0.00 32.46 26.53 1c43 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1c43 s SER 51 N -2.51 4.88 0.01 0.55 1.04 -1.21 -4.48 113.70 111.97 1c43 s SER 51 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1c43 s SER 51 Cb 0.00 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.11 1c43 s SER 51 CO 0.00 -0.07 -0.15 -0.89 0.98 0.00 0.00 173.24 173.11 1c43 s THR 52 N -2.29 1.21 -0.18 2.02 2.01 -1.26 -0.58 115.64 116.57 1c43 s THR 52 Ca 0.33 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1c43 s THR 52 Cb -0.06 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1c43 s THR 52 CO 0.22 0.22 0.19 -1.81 -0.69 0.00 0.00 174.62 172.75 1c43 s ASP 53 N -0.67 6.30 -0.06 3.53 1.01 0.38 -1.60 116.67 125.57 1c43 s ASP 53 Ca 0.05 0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.71 1c43 s ASP 53 Cb -0.07 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1c43 s ASP 53 CO 0.00 0.17 -0.24 -0.31 0.21 0.00 0.00 175.17 175.00 1c43 s TYR 54 N 0.27 2.38 0.00 4.23 2.02 -0.16 -0.98 117.35 125.10 1c43 s TYR 54 Ca 0.11 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1c43 s TYR 54 Cb -0.12 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1c43 s TYR 54 CO 0.00 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 1c43 n GLY 55 N 2.95 -1.91 0.35 0.71 0.00 0.34 -1.83 105.19 105.79 1c43 n GLY 55 Ca -0.17 -1.38 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1c43 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c43 h ILE 56 N 0.00 0.88 -0.23 -0.61 2.10 -1.69 -1.05 117.51 116.91 1c43 h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1c43 h ILE 56 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1c43 h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1c43 n PHE 57 N -4.46 0.29 -3.75 2.19 0.99 -1.26 -4.07 117.46 107.40 1c43 n PHE 57 Ca 0.08 -0.20 -0.34 0.00 -0.00 0.00 0.00 57.45 56.99 1c43 n PHE 57 Cb 0.38 -0.01 0.04 0.00 -1.00 0.00 0.00 39.48 38.89 1c43 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1c43 n GLN 58 N 1.05 -1.06 -2.80 -1.08 1.13 -0.40 -4.92 117.38 109.30 1c43 n GLN 58 Ca 0.14 0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 1c43 n GLN 58 Cb 0.48 -3.86 -0.04 0.00 0.11 0.00 0.00 30.24 26.92 1c43 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1c43 s ILE 59 N -3.47 4.73 0.12 5.09 1.01 -0.76 -4.48 121.20 123.43 1c43 s ILE 59 Ca 0.48 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.75 1c43 s ILE 59 Cb -0.19 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1c43 s ILE 59 CO 0.88 0.27 0.95 0.21 0.00 0.00 0.00 174.94 177.24 1c43 s ASN 60 N 0.42 7.50 0.00 3.58 3.84 -1.26 -0.99 114.94 128.03 1c43 s ASN 60 Ca 0.46 1.80 0.16 0.00 0.21 0.00 0.00 52.86 55.49 1c43 s ASN 60 Cb -0.21 -2.59 0.70 0.00 -0.55 0.00 0.00 41.25 38.60 1c43 s ASN 60 CO 0.27 -0.03 1.51 -1.54 -2.79 0.00 0.00 177.10 174.52 1c43 n SER 61 N 2.63 0.00 0.07 -4.21 3.41 -0.63 -2.03 113.62 112.86 1c43 n SER 61 Ca 0.02 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1c43 n SER 61 Cb 0.49 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1c43 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1c43 h ARG 62 N 0.00 0.30 0.00 4.33 2.43 -1.84 -3.40 114.38 116.20 1c43 h ARG 62 Ca 0.00 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1c43 h ARG 62 Cb 0.27 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1c43 h ARG 62 CO 0.00 0.94 -1.05 0.66 -1.51 0.00 0.00 179.97 179.01 1c43 n TYR 63 N -3.77 0.00 -0.09 2.20 4.02 -1.20 -0.31 117.16 118.00 1c43 n TYR 63 Ca -0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.64 1c43 n TYR 63 Cb 0.74 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.90 1c43 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1c43 n TRP 64 N -2.26 0.40 -4.25 -0.72 7.02 -0.86 -1.01 117.44 115.76 1c43 n TRP 64 Ca -0.01 0.10 -0.14 0.00 -1.02 0.00 0.00 57.50 56.42 1c43 n TRP 64 Cb 0.52 -1.05 -0.10 0.00 -2.42 0.00 0.00 31.31 28.26 1c43 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c43 s ASN 66 N -3.17 5.88 0.00 0.00 2.47 -0.47 -4.46 114.94 115.19 1c43 s ASN 66 Ca 0.17 0.01 0.02 0.00 0.42 0.00 0.00 52.86 53.48 1c43 s ASN 66 Cb 0.02 -2.07 0.03 0.00 -1.45 0.00 0.00 41.25 37.79 1c43 s ASN 66 CO 0.01 0.01 0.73 -0.90 -3.72 0.00 0.00 177.10 173.23 1c43 n ASP 67 N 4.65 1.51 0.00 -4.21 5.68 -1.26 -1.44 116.55 121.48 1c43 n ASP 67 Ca -0.15 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1c43 n ASP 67 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1c43 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c43 n GLY 68 N -0.01 1.93 0.77 6.12 0.00 -1.26 -4.73 105.19 108.02 1c43 n GLY 68 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1c43 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c43 n LYS 69 N -1.56 2.06 -3.41 1.61 2.85 -1.26 -4.94 118.16 113.51 1c43 n LYS 69 Ca 0.00 -1.88 -0.38 0.00 -1.05 0.00 0.00 58.31 55.00 1c43 n LYS 69 Cb 0.00 -1.34 -0.07 0.00 -0.65 0.00 0.00 35.03 32.97 1c43 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1c43 s THR 70 N -1.14 5.22 0.39 0.58 2.01 -1.26 -4.96 115.64 116.48 1c43 s THR 70 Ca 0.26 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 1c43 s THR 70 Cb 0.15 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1c43 s THR 70 CO 0.21 0.28 1.22 -2.84 -0.69 0.00 0.00 174.62 172.80 1c43 s PRO 71 N 1.12 4.05 -1.69 4.92 0.02 -1.26 -3.57 135.00 138.59 1c43 s PRO 71 Ca 0.19 1.98 -0.18 0.00 0.02 0.00 0.00 61.00 63.01 1c43 s PRO 71 Cb -0.14 -2.74 0.15 0.00 0.02 0.00 0.00 34.50 31.78 1c43 s PRO 71 CO 0.07 -0.36 0.77 0.41 -0.33 0.00 0.00 177.00 177.57 1c43 n GLY 72 N 0.68 -0.44 3.91 0.52 0.00 -1.26 -4.94 105.19 103.67 1c43 n GLY 72 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1c43 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c43 s ALA 73 N -3.32 3.78 0.37 4.61 0.00 -1.23 -4.96 121.76 121.01 1c43 s ALA 73 Ca 0.71 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1c43 s ALA 73 Cb -0.39 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 1c43 s ALA 73 CO 0.93 0.50 0.03 0.14 0.00 0.00 0.00 175.76 177.36 1c43 s VAL 74 N -1.82 2.35 -0.54 0.00 -7.23 0.57 -5.00 120.40 108.73 1c43 s VAL 74 Ca 0.40 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1c43 s VAL 74 Cb -0.11 -2.87 0.24 0.00 0.56 0.00 0.00 36.38 34.20 1c43 s VAL 74 CO 0.27 -0.11 0.62 -3.20 -0.31 0.00 0.00 175.10 172.37 1c43 n ASN 75 N -0.99 2.15 -0.15 4.85 5.15 -1.24 -3.83 115.26 121.19 1c43 n ASN 75 Ca -0.04 -3.09 0.01 0.00 -0.60 0.00 0.00 54.58 50.86 1c43 n ASN 75 Cb 0.64 -0.66 0.27 0.00 -0.53 0.00 0.00 39.78 39.50 1c43 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c43 h ALA 76 N 4.32 1.46 0.00 5.20 0.00 -1.02 -1.26 119.26 127.96 1c43 h ALA 76 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c43 h ALA 76 Cb 0.76 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1c43 h ALA 76 CO 0.66 0.46 0.00 0.00 0.00 0.00 0.00 179.25 180.37 1c43 n HIS 78 N -1.26 -1.80 -3.98 0.00 -0.00 -0.48 -4.98 115.22 102.72 1c43 n HIS 78 Ca 0.15 0.63 -0.09 0.00 -0.00 0.00 0.00 57.72 58.41 1c43 n HIS 78 Cb 0.23 -3.71 -0.10 0.00 -0.00 0.00 0.00 29.99 26.41 1c43 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1c43 s LEU 79 N -6.70 2.04 0.31 2.41 1.43 -1.26 -5.08 118.68 111.84 1c43 s LEU 79 Ca 0.22 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 1c43 s LEU 79 Cb -0.08 0.43 -0.10 0.00 0.03 0.00 0.00 46.19 46.47 1c43 s LEU 79 CO 0.86 -0.51 0.95 -0.55 0.23 0.00 0.00 176.35 177.33 1c43 s SER 80 N -2.25 7.37 0.60 2.29 0.15 -1.26 -1.37 113.70 119.24 1c43 s SER 80 Ca -0.03 1.85 0.35 0.00 0.70 0.00 0.00 55.95 58.82 1c43 s SER 80 Cb -0.00 -2.58 1.94 0.00 -1.71 0.00 0.00 66.02 63.66 1c43 s SER 80 CO -0.06 -0.04 2.24 0.00 1.20 0.00 0.00 173.24 176.59 1c43 h SER 82 N 0.00 0.68 -0.04 0.00 0.87 -1.91 -1.23 113.55 111.92 1c43 h SER 82 Ca -0.00 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1c43 h SER 82 Cb 0.10 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1c43 h SER 82 CO 0.00 0.40 0.05 0.00 -0.53 0.00 0.00 176.83 176.76 1c43 h ALA 83 N 1.59 1.56 -0.22 6.23 0.00 -1.59 -0.30 119.26 126.53 1c43 h ALA 83 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1c43 h ALA 83 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1c43 h ALA 83 CO -0.15 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1c43 n LEU 84 N -3.79 1.25 -0.26 0.00 4.77 -0.46 -3.53 117.00 114.98 1c43 n LEU 84 Ca -0.02 -0.62 0.02 0.00 -0.03 0.00 0.00 56.01 55.37 1c43 n LEU 84 Cb 0.14 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1c43 n LEU 84 CO 0.27 0.31 0.51 0.18 -1.33 0.00 0.00 177.39 177.33 1c43 n LEU 85 N 0.17 2.19 -4.85 2.23 4.77 -0.12 -3.46 117.00 117.93 1c43 n LEU 85 Ca 0.09 -1.80 -0.31 0.00 -0.03 0.00 0.00 56.01 53.96 1c43 n LEU 85 Cb 0.20 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1c43 n LEU 85 CO 0.06 0.54 0.71 -1.10 -1.33 0.00 0.00 177.39 176.27 1c43 s GLN 86 N -0.88 3.47 0.21 3.23 -0.21 -1.23 -4.55 119.66 119.70 1c43 s GLN 86 Ca 0.09 0.87 0.01 0.00 0.02 0.00 0.00 55.36 56.35 1c43 s GLN 86 Cb 0.05 -2.06 0.17 0.00 1.00 0.00 0.00 33.01 32.17 1c43 s GLN 86 CO 0.07 -0.68 1.52 -0.44 -2.12 0.00 0.00 175.29 173.64 1c43 h ASP 87 N -0.17 0.43 -3.25 5.90 5.19 -1.93 -3.40 116.42 119.19 1c43 h ASP 87 Ca -0.45 -0.24 -0.57 0.00 -0.62 0.00 0.00 57.03 55.15 1c43 h ASP 87 Cb 1.20 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1c43 h ASP 87 CO 0.60 0.93 0.93 0.21 -3.12 0.00 0.00 179.24 178.79 1c43 s ASN 88 N -6.92 6.75 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.88 1c43 s ASN 88 Ca -0.05 1.09 0.07 0.00 0.21 0.00 0.00 52.86 54.18 1c43 s ASN 88 Cb 0.11 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.49 1c43 s ASN 88 CO 0.82 -1.03 1.15 2.30 -2.79 0.00 0.00 177.10 177.54 1c43 n ILE 89 N 6.16 0.39 -0.16 -5.21 -5.35 -1.26 -4.43 119.36 109.50 1c43 n ILE 89 Ca 0.14 -0.34 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 1c43 n ILE 89 Cb 0.47 0.10 0.06 0.00 -1.74 0.00 0.00 39.64 38.52 1c43 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c43 h ALA 90 N 3.36 0.60 -0.40 -1.28 0.00 -1.95 -0.32 119.26 119.27 1c43 h ALA 90 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1c43 h ALA 90 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1c43 h ALA 90 CO 0.02 -0.19 -0.30 -0.44 0.00 0.00 0.00 179.25 178.33 1c43 h ASP 91 N 0.38 0.92 -0.57 0.00 3.45 -1.87 -2.00 116.42 116.74 1c43 h ASP 91 Ca 0.23 -0.38 -0.02 0.00 0.43 0.00 0.00 57.03 57.29 1c43 h ASP 91 Cb 0.22 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 1c43 h ASP 91 CO -0.22 1.15 0.28 0.00 -1.57 0.00 0.00 179.24 178.88 1c43 h ALA 92 N 0.90 1.38 -0.23 3.45 0.00 -1.67 -1.43 119.26 121.66 1c43 h ALA 92 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1c43 h ALA 92 Cb 0.87 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1c43 h ALA 92 CO 0.08 0.49 -0.24 0.28 0.00 0.00 0.00 179.25 179.86 1c43 h VAL 93 N 0.84 1.32 -0.57 0.00 2.07 -0.90 -1.03 116.25 117.99 1c43 h VAL 93 Ca 0.21 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1c43 h VAL 93 Cb 0.09 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1c43 h VAL 93 CO -0.03 0.43 0.34 0.00 0.02 0.00 0.00 177.57 178.34 1c43 h ALA 94 N 0.66 1.53 -0.14 1.67 0.00 -1.05 -0.44 119.26 121.49 1c43 h ALA 94 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1c43 h ALA 94 Cb 0.79 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1c43 h ALA 94 CO 0.06 0.41 -0.73 0.00 0.00 0.00 0.00 179.25 178.99 1c43 h ALA 96 N 0.53 1.45 -0.62 0.00 0.00 -0.75 0.10 119.26 119.97 1c43 h ALA 96 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1c43 h ALA 96 Cb 1.37 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1c43 h ALA 96 CO 0.15 0.48 0.26 0.87 0.00 0.00 0.00 179.25 181.01 1c43 h LYS 97 N 0.92 0.92 -0.36 0.00 1.57 -0.98 -2.43 116.57 116.21 1c43 h LYS 97 Ca 0.24 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1c43 h LYS 97 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1c43 h LYS 97 CO -0.05 0.77 0.17 -0.09 -0.57 0.00 0.00 179.45 179.69 1c43 h ARG 98 N 0.86 0.53 -0.36 3.15 9.65 -0.82 -2.81 114.38 124.58 1c43 h ARG 98 Ca 0.21 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 59.08 1c43 h ARG 98 Cb 0.19 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 1c43 h ARG 98 CO -0.02 0.47 -0.07 0.28 2.80 0.00 0.00 179.97 183.44 1c43 h VAL 99 N 0.45 0.66 0.00 0.20 2.07 -0.67 -1.97 116.25 116.99 1c43 h VAL 99 Ca 0.12 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1c43 h VAL 99 Cb 0.12 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1c43 h VAL 99 CO -0.02 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 1c43 n VAL 100 N -5.26 0.25 0.53 2.57 0.24 -0.95 -2.52 118.33 113.19 1c43 n VAL 100 Ca 0.01 0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.50 1c43 n VAL 100 Cb 0.20 -0.68 0.44 0.00 -1.47 0.00 0.00 33.84 32.33 1c43 n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1c43 n ARG 101 N -1.27 0.24 -1.84 7.34 0.63 -0.74 -4.14 116.66 116.88 1c43 n ARG 101 Ca 0.11 0.30 -0.31 0.00 -0.92 0.00 0.00 57.85 57.04 1c43 n ARG 101 Cb 0.18 -1.84 0.02 0.00 0.45 0.00 0.00 32.46 31.27 1c43 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c43 s ASP 102 N -4.42 6.07 0.39 6.15 -0.00 -1.05 -4.97 116.67 118.84 1c43 s ASP 102 Ca 0.08 1.41 0.19 0.00 -0.00 0.00 0.00 52.55 54.22 1c43 s ASP 102 Cb 0.11 -2.42 1.12 0.00 -0.00 0.00 0.00 42.92 41.73 1c43 s ASP 102 CO 0.51 -0.97 1.73 1.55 -0.00 0.00 0.00 175.17 178.00 1c43 h PRO 103 N -0.39 0.36 0.00 8.23 0.13 -1.89 -1.90 132.00 136.54 1c43 h PRO 103 Ca -0.44 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1c43 h PRO 103 Cb 1.20 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1c43 h PRO 103 CO 0.62 0.24 -0.36 1.96 -0.23 0.00 0.00 178.00 180.23 1c43 h GLN 104 N 0.37 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.15 1c43 h GLN 104 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.36 1c43 h GLN 104 Cb 1.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1c43 h GLN 104 CO -0.36 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1c43 n GLY 105 N -0.32 2.22 0.29 3.46 0.00 -0.72 -1.96 105.19 108.15 1c43 n GLY 105 Ca -0.02 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1c43 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c43 h ILE 106 N 0.00 0.36 0.00 -0.61 6.09 -1.91 -2.38 117.51 119.06 1c43 h ILE 106 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1c43 h ILE 106 Cb 0.00 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1c43 h ILE 106 CO 0.00 0.06 0.00 0.54 -3.07 0.00 0.00 178.15 175.68 1c43 n ARG 107 N -3.48 0.01 0.21 2.19 1.74 -0.83 -2.44 116.66 114.06 1c43 n ARG 107 Ca -0.02 0.39 0.15 0.00 -0.77 0.00 0.00 57.85 57.60 1c43 n ARG 107 Cb 0.18 -1.52 0.79 0.00 -1.02 0.00 0.00 32.46 30.90 1c43 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c43 h ALA 108 N 2.23 1.87 -2.66 7.54 0.00 -1.57 -3.37 119.26 123.30 1c43 h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1c43 h ALA 108 Cb 0.12 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 1c43 h ALA 108 CO 0.00 -0.21 -0.36 -1.58 0.00 0.00 0.00 179.25 177.10 1c43 s TRP 109 N -4.78 3.22 0.39 0.00 0.51 -1.02 -4.97 118.94 112.30 1c43 s TRP 109 Ca -0.05 -0.04 0.07 0.00 -2.12 0.00 0.00 56.10 53.96 1c43 s TRP 109 Cb 0.16 -2.58 0.81 0.00 -0.81 0.00 0.00 33.47 31.05 1c43 s TRP 109 CO 0.60 -0.38 2.00 0.28 -0.51 0.00 0.00 176.95 178.93 1c43 h VAL 110 N 5.50 1.13 -0.08 4.03 2.07 -1.89 -1.47 116.25 125.55 1c43 h VAL 110 Ca -0.31 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1c43 h VAL 110 Cb 1.15 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1c43 h VAL 110 CO 0.66 0.16 0.02 0.00 0.02 0.00 0.00 177.57 178.43 1c43 h ALA 111 N 1.68 1.88 -0.48 1.67 0.00 -1.93 -1.46 119.26 120.61 1c43 h ALA 111 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1c43 h ALA 111 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1c43 h ALA 111 CO -0.01 0.10 0.14 2.35 0.00 0.00 0.00 179.25 181.82 1c43 h TRP 112 N 0.11 0.79 -0.60 0.00 7.01 -1.59 -0.38 115.95 121.30 1c43 h TRP 112 Ca 0.03 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 1c43 h TRP 112 Cb 0.05 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1c43 h TRP 112 CO 0.00 0.71 0.33 0.00 -2.79 0.00 0.00 178.44 176.69 1c43 h ARG 113 N 0.65 0.84 -0.09 2.65 3.08 -1.32 0.16 114.38 120.36 1c43 h ARG 113 Ca 0.15 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1c43 h ARG 113 Cb 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1c43 h ARG 113 CO -0.00 0.64 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.59 1c43 h ASN 114 N 0.81 0.18 -0.01 7.04 2.35 -1.13 -3.36 115.58 121.47 1c43 h ASN 114 Ca 0.21 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1c43 h ASN 114 Cb 0.04 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1c43 h ASN 114 CO -0.03 0.54 -0.19 -2.11 -1.65 0.00 0.00 177.43 173.98 1c43 n ARG 115 N -4.76 1.92 0.00 0.81 0.00 -0.17 -4.84 116.66 109.61 1c43 n ARG 115 Ca -0.07 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.12 1c43 n ARG 115 Cb 0.25 -1.10 0.00 0.00 -0.00 0.00 0.00 32.46 31.61 1c43 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1c43 n GLN 117 N -2.65 2.04 -1.42 0.00 7.27 -0.24 -2.01 117.38 120.37 1c43 n GLN 117 Ca 0.00 0.73 -0.14 0.00 0.07 0.00 0.00 57.00 57.65 1c43 n GLN 117 Cb 0.48 -2.37 -0.06 0.00 2.41 0.00 0.00 30.24 30.70 1c43 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1c43 n ASN 118 N 1.98 -5.52 -4.71 1.69 5.03 -1.26 -4.97 115.26 107.50 1c43 n ASN 118 Ca 0.11 0.36 -0.23 0.00 0.87 0.00 0.00 54.58 55.68 1c43 n ASN 118 Cb 0.32 -4.29 -0.07 0.00 -1.02 0.00 0.00 39.78 34.72 1c43 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c43 s ARG 119 N -3.19 2.34 -0.68 3.52 0.52 -0.85 -5.06 118.95 115.54 1c43 s ARG 119 Ca 0.00 -1.55 -0.26 0.00 -0.52 0.00 0.00 55.73 53.40 1c43 s ARG 119 Cb 0.00 -2.15 0.04 0.00 0.52 0.00 0.00 34.95 33.36 1c43 s ARG 119 CO 0.00 0.14 1.16 0.34 0.02 0.00 0.00 175.30 176.96 1c43 s ASP 120 N -3.82 6.22 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.12 1c43 s ASP 120 Ca 0.37 -0.49 0.22 0.00 -0.52 0.00 0.00 52.55 52.12 1c43 s ASP 120 Cb -0.03 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.52 1c43 s ASP 120 CO 0.22 -1.63 1.50 1.33 0.52 0.00 0.00 175.17 177.11 1c43 n VAL 121 N 6.29 0.87 -0.29 1.11 0.24 -1.26 -4.51 118.33 120.78 1c43 n VAL 121 Ca 0.02 -0.90 0.09 0.00 -2.04 0.00 0.00 64.34 61.51 1c43 n VAL 121 Cb 0.48 0.52 0.32 0.00 -1.47 0.00 0.00 33.84 33.69 1c43 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1c43 h ARG 122 N 4.08 0.79 -0.42 7.34 3.08 -1.92 -2.32 114.38 125.00 1c43 h ARG 122 Ca 0.00 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1c43 h ARG 122 Cb 0.93 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1c43 h ARG 122 CO 0.00 0.52 0.41 -0.56 -1.07 0.00 0.00 179.97 179.28 1c43 h GLN 123 N 0.82 0.00 0.00 0.04 3.07 -1.98 -1.87 115.11 115.19 1c43 h GLN 123 Ca 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.14 1c43 h GLN 123 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1c43 h GLN 123 CO -0.21 0.00 -0.23 1.88 0.09 0.00 0.00 178.83 180.36 1c43 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.75 -3.26 116.97 112.05 1c43 h TYR 124 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1c43 h TYR 124 Cb 1.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1c43 h TYR 124 CO 0.00 0.23 0.00 1.33 -1.05 0.00 0.00 178.16 178.67 1c43 n VAL 125 N -3.44 0.07 -1.82 -2.88 0.24 -0.74 -4.84 118.33 104.93 1c43 n VAL 125 Ca -0.00 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 1c43 n VAL 125 Cb 0.41 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1c43 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1c43 s GLN 126 N -0.34 4.16 0.00 7.34 -1.52 -1.01 -2.49 119.66 125.80 1c43 s GLN 126 Ca 0.04 2.51 0.00 0.00 -1.95 0.00 0.00 55.36 55.96 1c43 s GLN 126 Cb 0.03 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1c43 s GLN 126 CO 0.04 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.82 1c43 n GLY 127 N 3.58 0.73 0.06 3.09 0.00 -1.26 -4.89 105.19 106.50 1c43 n GLY 127 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1c43 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c43 n GLY 129 N 1.41 0.03 0.24 0.00 0.00 -1.26 -4.81 105.19 100.79 1c43 n GLY 129 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.63 1c43 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65