#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s69 s THR 3 N 0.00 3.55 0.19 6.66 -4.23 -1.26 -4.90 115.64 115.65 1s69 s THR 3 Ca 0.00 0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 1s69 s THR 3 Cb 0.00 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.60 1s69 s THR 3 CO 0.00 -0.66 1.73 0.25 -0.54 0.00 0.00 174.62 175.40 1s69 h LEU 4 N -0.81 0.11 -0.43 4.79 5.85 -1.92 0.03 115.31 122.93 1s69 h LEU 4 Ca -0.45 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1s69 h LEU 4 Cb 1.24 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 1s69 h LEU 4 CO 0.60 0.08 -0.36 0.22 -0.34 0.00 0.00 178.44 178.65 1s69 h TYR 5 N 0.31 -1.02 -0.52 1.25 3.20 -1.34 -0.80 116.97 118.05 1s69 h TYR 5 Ca 0.25 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.21 1s69 h TYR 5 Cb 0.30 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1s69 h TYR 5 CO -0.19 -0.40 0.31 0.93 -1.64 0.00 0.00 178.16 177.17 1s69 h GLU 6 N -0.27 0.61 -0.30 1.82 5.08 -1.69 -0.07 114.58 119.76 1s69 h GLU 6 Ca 0.17 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1s69 h GLU 6 Cb 0.56 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1s69 h GLU 6 CO -0.57 0.40 0.05 0.87 -1.00 0.00 0.00 179.01 178.77 1s69 h LYS 7 N 0.62 0.43 0.00 2.33 1.57 -0.34 -1.55 116.57 119.64 1s69 h LYS 7 Ca 0.21 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1s69 h LYS 7 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1s69 h LYS 7 CO -0.09 0.42 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.65 1s69 h LEU 8 N 0.43 0.00 0.00 2.94 3.38 -1.01 -3.47 115.31 117.58 1s69 h LEU 8 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s69 h LEU 8 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s69 h LEU 8 CO -0.00 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1s69 n GLY 9 N 0.25 1.45 7.00 0.83 0.00 -0.58 -4.78 105.19 109.36 1s69 n GLY 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s69 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s69 n GLY 10 N 0.00 0.02 0.33 -0.02 0.00 -0.06 -3.45 105.19 102.01 1s69 n GLY 10 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 1s69 n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s69 h THR 11 N 0.00 0.19 -0.14 2.61 2.02 -1.98 -1.51 112.91 114.10 1s69 h THR 11 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1s69 h THR 11 Cb 0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1s69 h THR 11 CO 0.00 0.00 -0.52 0.71 0.37 0.00 0.00 175.52 176.08 1s69 h THR 12 N -0.12 1.34 -0.06 3.16 1.35 -2.00 0.10 112.91 116.68 1s69 h THR 12 Ca 0.26 -1.78 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1s69 h THR 12 Cb 0.55 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1s69 h THR 12 CO -0.70 0.54 0.03 0.00 -0.25 0.00 0.00 175.52 175.14 1s69 h ALA 13 N 1.13 0.08 -0.98 6.62 0.00 -1.45 -2.19 119.26 122.47 1s69 h ALA 13 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s69 h ALA 13 Cb 1.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1s69 h ALA 13 CO 0.09 -0.35 0.62 0.28 0.00 0.00 0.00 179.25 179.89 1s69 h VAL 14 N -0.04 1.26 -0.30 0.00 2.07 -1.07 0.10 116.25 118.27 1s69 h VAL 14 Ca 0.02 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1s69 h VAL 14 Cb 0.14 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1s69 h VAL 14 CO -0.00 0.26 0.13 -0.78 0.02 0.00 0.00 177.57 177.19 1s69 h ASP 15 N 1.34 0.41 -0.24 0.57 3.58 -0.75 -0.14 116.42 121.18 1s69 h ASP 15 Ca 0.35 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1s69 h ASP 15 Cb -0.11 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1s69 h ASP 15 CO -0.07 0.45 0.02 0.25 -2.88 0.00 0.00 179.24 177.01 1s69 h LEU 16 N 0.34 0.39 -0.39 2.28 7.12 -1.30 -2.54 115.31 121.21 1s69 h LEU 16 Ca 0.10 -0.28 0.04 0.00 0.13 0.00 0.00 57.88 57.87 1s69 h LEU 16 Cb 0.17 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.15 1s69 h LEU 16 CO -0.01 0.58 0.17 0.00 -0.13 0.00 0.00 178.44 179.04 1s69 h ALA 17 N 0.83 0.47 -0.69 1.25 0.00 -0.67 -1.71 119.26 118.74 1s69 h ALA 17 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1s69 h ALA 17 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1s69 h ALA 17 CO 0.01 -0.21 0.31 0.28 0.00 0.00 0.00 179.25 179.64 1s69 h VAL 18 N 0.34 1.24 -0.17 0.00 2.07 -1.01 0.15 116.25 118.87 1s69 h VAL 18 Ca 0.17 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1s69 h VAL 18 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1s69 h VAL 18 CO -0.15 0.28 0.07 0.44 0.02 0.00 0.00 177.57 178.23 1s69 h ASP 19 N 0.97 0.23 -0.57 0.57 3.32 -1.26 -2.18 116.42 117.50 1s69 h ASP 19 Ca 0.23 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1s69 h ASP 19 Cb 0.15 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1s69 h ASP 19 CO -0.03 0.32 0.03 0.11 -1.72 0.00 0.00 179.24 177.96 1s69 h LYS 20 N 0.12 1.01 -0.18 3.56 1.79 -1.23 -2.05 116.57 119.59 1s69 h LYS 20 Ca 0.06 -0.29 0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1s69 h LYS 20 Cb 0.16 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1s69 h LYS 20 CO -0.01 0.97 0.09 0.35 -1.08 0.00 0.00 179.45 179.78 1s69 h PHE 21 N 0.94 0.17 -0.19 -1.35 3.57 -0.51 -1.20 116.94 118.37 1s69 h PHE 21 Ca 0.18 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1s69 h PHE 21 Cb 0.50 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1s69 h PHE 21 CO 0.03 0.10 -0.29 1.88 -2.23 0.00 0.00 178.31 177.80 1s69 h TYR 22 N 0.20 0.40 -0.53 0.41 0.05 -1.29 0.21 116.97 116.42 1s69 h TYR 22 Ca 0.07 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.83 1s69 h TYR 22 Cb 0.01 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.60 1s69 h TYR 22 CO -0.09 0.62 0.24 0.93 -1.05 0.00 0.00 178.16 178.81 1s69 h GLU 23 N 0.32 0.44 -0.08 4.88 5.08 -1.09 -0.03 114.58 124.10 1s69 h GLU 23 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1s69 h GLU 23 Cb 0.68 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s69 h GLU 23 CO 0.05 0.29 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.26 1s69 h ARG 24 N 0.45 0.15 -0.71 2.33 2.43 -0.33 -3.11 114.38 115.59 1s69 h ARG 24 Ca 0.25 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1s69 h ARG 24 Cb 0.22 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 1s69 h ARG 24 CO -0.21 0.43 0.33 0.28 -1.51 0.00 0.00 179.97 179.29 1s69 h VAL 25 N -0.14 0.79 0.00 0.20 2.07 -0.43 -2.13 116.25 116.61 1s69 h VAL 25 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1s69 h VAL 25 Cb 0.36 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1s69 h VAL 25 CO 0.01 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.87 1s69 n LEU 26 N -4.91 0.31 -0.85 2.57 4.32 -0.04 -1.45 117.00 116.95 1s69 n LEU 26 Ca 0.12 0.56 0.12 0.00 -0.02 0.00 0.00 56.01 56.79 1s69 n LEU 26 Cb 0.31 -0.51 0.09 0.00 -1.62 0.00 0.00 43.42 41.69 1s69 n LEU 26 CO 0.23 -0.31 0.57 0.00 -1.22 0.00 0.00 177.39 176.66 1s69 n GLN 27 N -1.82 2.07 -3.05 3.23 1.13 -0.85 -4.83 117.38 113.24 1s69 n GLN 27 Ca 0.04 -1.70 -0.44 0.00 -1.94 0.00 0.00 57.00 52.96 1s69 n GLN 27 Cb 0.24 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 29.08 1s69 n GLN 27 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1s69 s ASP 28 N -2.11 6.23 0.66 1.08 -1.08 -0.53 -4.92 116.67 116.00 1s69 s ASP 28 Ca 0.26 -0.95 0.36 0.00 -0.52 0.00 0.00 52.55 51.70 1s69 s ASP 28 Cb 0.20 -2.33 1.97 0.00 -1.46 0.00 0.00 42.92 41.29 1s69 s ASP 28 CO 0.36 -1.07 2.12 0.44 0.52 0.00 0.00 175.17 177.54 1s69 h ASP 29 N 9.17 0.00 0.52 -0.34 5.19 -1.89 0.52 116.42 129.59 1s69 h ASP 29 Ca -0.28 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.07 1s69 h ASP 29 Cb 1.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 1s69 h ASP 29 CO 1.04 0.00 -0.29 0.03 -3.12 0.00 0.00 179.24 176.91 1s69 h ARG 30 N 0.00 0.00 0.00 3.56 3.08 -1.93 -3.40 114.38 115.69 1s69 h ARG 30 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1s69 h ARG 30 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1s69 h ARG 30 CO -0.00 0.29 0.00 0.44 -1.07 0.00 0.00 179.97 179.63 1s69 n ILE 31 N -3.78 0.00 0.24 2.04 -5.35 -0.53 -4.90 119.36 107.09 1s69 n ILE 31 Ca -0.01 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.53 1s69 n ILE 31 Cb 0.38 1.02 0.58 0.00 -1.74 0.00 0.00 39.64 39.88 1s69 n ILE 31 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1s69 h LYS 32 N 0.00 0.01 0.00 6.28 2.10 -1.05 -1.52 116.57 122.38 1s69 h LYS 32 Ca 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1s69 h LYS 32 Cb 0.04 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1s69 h LYS 32 CO 0.00 0.08 -0.09 1.12 -2.00 0.00 0.00 179.45 178.56 1s69 h HIS 33 N 0.01 0.00 0.00 0.07 2.07 -1.88 -1.76 115.15 113.66 1s69 h HIS 33 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1s69 h HIS 33 Cb 0.13 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.11 1s69 h HIS 33 CO 0.00 0.09 -0.00 0.74 -3.07 0.00 0.00 177.93 175.69 1s69 h PHE 34 N 0.00 0.00 -0.51 6.12 0.04 -1.65 -2.38 116.94 118.56 1s69 h PHE 34 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s69 h PHE 34 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1s69 h PHE 34 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1s69 n PHE 35 N -3.62 0.67 -0.30 -0.55 3.01 -0.66 -4.59 117.46 111.42 1s69 n PHE 35 Ca -0.03 -0.35 0.09 0.00 1.01 0.00 0.00 57.45 58.16 1s69 n PHE 35 Cb 0.08 -0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.79 1s69 n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s69 h ALA 36 N 4.23 1.31 -0.33 4.37 0.00 -1.50 -1.38 119.26 125.97 1s69 h ALA 36 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1s69 h ALA 36 Cb 0.97 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s69 h ALA 36 CO 0.00 -0.17 0.01 -0.25 0.00 0.00 0.00 179.25 178.84 1s69 n ASP 37 N -4.93 4.06 -4.76 0.00 8.00 -1.26 -4.98 116.55 112.68 1s69 n ASP 37 Ca 0.18 -3.08 -0.36 0.00 0.71 0.00 0.00 54.79 52.24 1s69 n ASP 37 Cb 0.50 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 1s69 n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s69 s VAL 38 N -2.87 5.37 -0.52 2.53 1.01 -0.52 -5.03 120.40 120.37 1s69 s VAL 38 Ca 0.45 0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1s69 s VAL 38 Cb 0.36 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1s69 s VAL 38 CO 0.09 0.46 1.78 -0.62 0.00 0.00 0.00 175.10 176.82 1s69 s ASP 39 N 0.10 5.56 0.39 3.32 -1.08 -1.26 -4.87 116.67 118.83 1s69 s ASP 39 Ca 0.13 0.62 0.20 0.00 -0.52 0.00 0.00 52.55 52.98 1s69 s ASP 39 Cb -0.12 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.54 1s69 s ASP 39 CO 0.02 -2.10 1.75 0.24 0.52 0.00 0.00 175.17 175.60 1s69 h MET 40 N 13.87 0.00 -0.14 4.34 2.86 -1.96 -1.06 114.93 132.84 1s69 h MET 40 Ca -0.28 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1s69 h MET 40 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1s69 h MET 40 CO 1.16 0.34 0.03 0.00 1.06 0.00 0.00 176.91 179.49 1s69 h ALA 41 N 1.66 0.19 -0.61 6.32 0.00 -1.99 0.35 119.26 125.17 1s69 h ALA 41 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1s69 h ALA 41 Cb 0.86 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1s69 h ALA 41 CO 0.04 -0.17 0.04 0.87 0.00 0.00 0.00 179.25 180.04 1s69 h LYS 42 N 0.02 1.04 0.00 0.00 1.57 -1.92 -2.45 116.57 114.83 1s69 h LYS 42 Ca 0.04 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1s69 h LYS 42 Cb 0.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1s69 h LYS 42 CO 0.00 0.99 -0.00 0.37 -0.57 0.00 0.00 179.45 180.24 1s69 h GLN 43 N 0.96 -0.00 -0.51 3.15 5.75 -1.03 -0.46 115.11 122.96 1s69 h GLN 43 Ca 0.18 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.78 1s69 h GLN 43 Cb 0.49 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.95 1s69 h GLN 43 CO 0.02 0.19 -0.14 0.00 -2.65 0.00 0.00 178.83 176.25 1s69 h ARG 44 N -0.19 -0.01 -0.44 1.69 3.08 -0.92 0.19 114.38 117.78 1s69 h ARG 44 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1s69 h ARG 44 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1s69 h ARG 44 CO 0.00 -0.01 0.13 0.00 -1.07 0.00 0.00 179.97 179.02 1s69 h ALA 45 N 1.49 0.57 -0.37 0.04 0.00 -1.28 -0.97 119.26 118.75 1s69 h ALA 45 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1s69 h ALA 45 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1s69 h ALA 45 CO -0.53 0.23 0.22 0.45 0.00 0.00 0.00 179.25 179.62 1s69 h HIS 46 N 0.57 0.41 -0.49 0.00 3.86 -0.78 -2.09 115.15 116.63 1s69 h HIS 46 Ca 0.14 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1s69 h HIS 46 Cb 0.28 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1s69 h HIS 46 CO 0.01 0.25 -0.04 0.37 0.86 0.00 0.00 177.93 179.38 1s69 h GLN 47 N 0.45 0.84 -0.29 2.45 5.75 -0.79 0.11 115.11 123.62 1s69 h GLN 47 Ca 0.14 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1s69 h GLN 47 Cb -0.01 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1s69 h GLN 47 CO -0.06 0.87 0.18 0.87 -2.65 0.00 0.00 178.83 178.04 1s69 h LYS 48 N 0.77 0.40 -0.66 1.69 1.57 -1.07 0.12 116.57 119.39 1s69 h LYS 48 Ca 0.14 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1s69 h LYS 48 Cb 0.52 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1s69 h LYS 48 CO 0.03 0.30 0.22 0.00 -0.57 0.00 0.00 179.45 179.43 1s69 h ALA 49 N 1.08 0.86 -0.11 3.86 0.00 -1.14 -1.74 119.26 122.07 1s69 h ALA 49 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1s69 h ALA 49 Cb -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1s69 h ALA 49 CO -0.02 0.52 0.01 0.35 0.00 0.00 0.00 179.25 180.11 1s69 h PHE 50 N 0.95 0.21 -0.05 0.00 3.57 -0.48 -2.40 116.94 118.73 1s69 h PHE 50 Ca 0.21 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1s69 h PHE 50 Cb 0.27 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1s69 h PHE 50 CO 0.02 0.41 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.91 1s69 h LEU 51 N -0.06 0.16 -0.20 0.59 3.38 -0.80 0.21 115.31 118.60 1s69 h LEU 51 Ca 0.03 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1s69 h LEU 51 Cb 0.32 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1s69 h LEU 51 CO 0.00 0.66 -0.03 0.74 0.09 0.00 0.00 178.44 179.91 1s69 h THR 52 N 0.11 0.83 0.13 0.22 2.02 -1.26 0.72 112.91 115.67 1s69 h THR 52 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1s69 h THR 52 Cb 0.98 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1s69 h THR 52 CO 0.08 0.00 -0.11 0.22 0.37 0.00 0.00 175.52 176.08 1s69 h TYR 53 N 0.02 -0.29 0.00 3.16 3.20 -1.07 0.44 116.97 122.43 1s69 h TYR 53 Ca 0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1s69 h TYR 53 Cb 0.13 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1s69 h TYR 53 CO -0.20 -0.18 -0.08 0.00 -1.64 0.00 0.00 178.16 176.06 1s69 h ALA 54 N 0.59 1.56 -0.66 1.82 0.00 -0.27 -1.21 119.26 121.10 1s69 h ALA 54 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s69 h ALA 54 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s69 h ALA 54 CO -0.02 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.52 1s69 n PHE 55 N -4.00 0.88 -0.69 0.00 3.72 0.22 -4.93 117.46 112.66 1s69 n PHE 55 Ca -0.03 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 1s69 n PHE 55 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1s69 n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s69 n GLY 56 N 1.58 0.63 0.09 1.37 0.00 -0.46 -0.84 105.19 107.57 1s69 n GLY 56 Ca 0.23 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1s69 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s69 n GLY 57 N -2.69 -1.68 3.24 -0.02 0.00 0.15 -4.83 105.19 99.37 1s69 n GLY 57 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1s69 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s69 s THR 58 N -3.09 0.11 0.17 2.61 -4.23 -1.21 -4.85 115.64 105.16 1s69 s THR 58 Ca 0.11 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.64 1s69 s THR 58 Cb 0.13 -1.16 0.07 0.00 1.34 0.00 0.00 72.50 72.89 1s69 s THR 58 CO 0.59 -0.48 1.70 0.44 -0.54 0.00 0.00 174.62 176.33 1s69 h ASP 59 N 2.82 0.88 -4.21 3.99 3.32 -1.90 -3.41 116.42 117.92 1s69 h ASP 59 Ca -0.33 -0.21 -0.31 0.00 0.02 0.00 0.00 57.03 56.20 1s69 h ASP 59 Cb 1.21 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 1s69 h ASP 59 CO 0.51 0.86 -0.68 -0.54 -1.72 0.00 0.00 179.24 177.66 1s69 s LYS 60 N -5.40 1.10 -0.24 3.56 1.02 -1.26 -5.06 119.74 113.46 1s69 s LYS 60 Ca -0.13 -1.51 -0.08 0.00 0.02 0.00 0.00 55.97 54.28 1s69 s LYS 60 Cb 0.13 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1s69 s LYS 60 CO 0.81 -0.04 0.09 -0.47 -0.92 0.00 0.00 175.35 174.82 1s69 s TYR 61 N -3.49 3.14 -0.91 3.18 5.04 -1.26 -4.70 117.35 118.35 1s69 s TYR 61 Ca 0.21 -0.21 -0.18 0.00 -2.44 0.00 0.00 57.07 54.45 1s69 s TYR 61 Cb 0.05 -2.22 0.15 0.00 0.35 0.00 0.00 41.96 40.28 1s69 s TYR 61 CO 0.02 -0.20 1.05 0.34 -1.34 0.00 0.00 175.55 175.43 1s69 s ASP 62 N 1.33 6.65 0.00 4.32 2.15 -1.26 -4.87 116.67 125.00 1s69 s ASP 62 Ca 0.05 -2.17 0.00 0.00 0.43 0.00 0.00 52.55 50.87 1s69 s ASP 62 Cb -0.15 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1s69 s ASP 62 CO 0.04 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 1s69 n GLY 63 N 5.19 -1.34 3.80 2.66 0.00 -1.26 -5.03 105.19 109.21 1s69 n GLY 63 Ca 0.22 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1s69 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s69 s ARG 64 N -0.96 3.46 0.60 1.61 0.52 -1.26 -5.03 118.95 117.88 1s69 s ARG 64 Ca 0.00 1.29 -0.18 0.00 -0.52 0.00 0.00 55.73 56.32 1s69 s ARG 64 Cb 0.00 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 1s69 s ARG 64 CO 0.00 -0.70 1.17 0.71 0.02 0.00 0.00 175.30 176.50 1s69 s TYR 65 N -2.25 2.46 0.31 -0.53 1.51 -1.26 -4.87 117.35 112.72 1s69 s TYR 65 Ca 0.65 1.54 -0.00 0.00 -1.01 0.00 0.00 57.07 58.25 1s69 s TYR 65 Cb -0.17 -3.39 0.50 0.00 -0.11 0.00 0.00 41.96 38.79 1s69 s TYR 65 CO 0.31 -2.02 1.96 0.52 -1.11 0.00 0.00 175.55 175.21 1s69 h MET 66 N 0.75 1.02 -0.03 -0.62 2.86 -1.96 0.08 114.93 117.04 1s69 h MET 66 Ca -0.50 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 1s69 h MET 66 Cb 1.28 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1s69 h MET 66 CO 0.55 0.68 -0.00 -0.09 1.06 0.00 0.00 176.91 179.10 1s69 h ARG 67 N 1.06 0.06 -0.29 1.72 2.43 -1.90 -2.46 114.38 114.99 1s69 h ARG 67 Ca 0.32 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.38 1s69 h ARG 67 Cb -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1s69 h ARG 67 CO -0.09 0.38 -0.21 1.05 -1.51 0.00 0.00 179.97 179.60 1s69 h GLU 68 N -0.28 0.55 -0.61 0.20 4.11 -1.82 -1.77 114.58 114.96 1s69 h GLU 68 Ca 0.01 -0.19 0.03 0.00 0.07 0.00 0.00 59.36 59.28 1s69 h GLU 68 Cb 0.36 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1s69 h GLU 68 CO 0.00 0.72 0.41 0.00 0.07 0.00 0.00 179.01 180.21 1s69 h ALA 69 N 1.29 1.67 -0.01 1.06 0.00 -0.87 -3.10 119.26 119.31 1s69 h ALA 69 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s69 h ALA 69 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s69 h ALA 69 CO 0.04 0.26 -0.04 0.72 0.00 0.00 0.00 179.25 180.23 1s69 n HIS 70 N -4.46 0.00 -0.09 0.00 8.25 -0.94 -4.71 115.22 113.27 1s69 n HIS 70 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1s69 n HIS 70 Cb 0.14 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 1s69 n HIS 70 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1s69 h LYS 71 N 2.34 0.00 -0.05 -0.41 3.64 -1.24 -1.86 116.57 118.98 1s69 h LYS 71 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1s69 h LYS 71 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1s69 h LYS 71 CO 0.00 0.00 -0.22 1.49 -2.27 0.00 0.00 179.45 178.45 1s69 h GLU 72 N 0.00 0.09 -0.27 1.90 4.22 -1.84 -0.71 114.58 117.96 1s69 h GLU 72 Ca 0.15 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.50 1s69 h GLU 72 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1s69 h GLU 72 CO -0.32 0.31 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.66 1s69 h LEU 73 N 0.08 0.55 -0.07 1.64 3.38 -1.69 0.20 115.31 119.41 1s69 h LEU 73 Ca 0.01 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1s69 h LEU 73 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s69 h LEU 73 CO 0.03 0.81 0.02 0.58 0.09 0.00 0.00 178.44 179.97 1s69 h VAL 74 N 0.29 1.18 -0.08 1.22 2.07 -0.93 -1.31 116.25 118.70 1s69 h VAL 74 Ca 0.07 -0.55 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 1s69 h VAL 74 Cb 0.58 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1s69 h VAL 74 CO 0.03 0.16 -0.81 -0.33 0.02 0.00 0.00 177.57 176.64 1s69 h GLU 75 N -0.09 0.52 0.00 1.57 5.08 -1.16 -3.32 114.58 117.19 1s69 h GLU 75 Ca 0.02 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1s69 h GLU 75 Cb 0.23 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s69 h GLU 75 CO -0.00 1.09 -1.22 0.09 -1.00 0.00 0.00 179.01 177.98 1s69 n ASN 76 N -3.84 1.87 -0.09 1.42 3.02 0.06 -4.76 115.26 112.93 1s69 n ASN 76 Ca -0.06 -0.22 0.01 0.00 -0.03 0.00 0.00 54.58 54.28 1s69 n ASN 76 Cb 0.76 1.36 0.02 0.00 -0.61 0.00 0.00 39.78 41.31 1s69 n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1s69 n HIS 77 N -1.70 0.00 -1.51 3.10 8.25 -0.54 -5.02 115.22 117.80 1s69 n HIS 77 Ca -0.01 -0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.07 1s69 n HIS 77 Cb 0.26 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1s69 n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s69 n GLY 78 N -0.36 0.76 3.69 -1.41 0.00 -1.03 -4.93 105.19 101.92 1s69 n GLY 78 Ca 0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1s69 n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s69 n LEU 79 N -1.07 3.95 0.00 0.99 7.94 -0.91 -4.95 117.00 122.95 1s69 n LEU 79 Ca -0.09 1.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.75 1s69 n LEU 79 Cb 0.37 -1.53 -0.02 0.00 0.53 0.00 0.00 43.42 42.76 1s69 n LEU 79 CO 0.13 0.13 -0.03 -0.46 -1.11 0.00 0.00 177.39 176.05 1s69 n ASN 80 N 5.33 -0.02 0.13 1.96 0.23 -1.26 -4.65 115.26 116.99 1s69 n ASN 80 Ca 0.18 -1.65 0.05 0.00 -0.53 0.00 0.00 54.58 52.63 1s69 n ASN 80 Cb 0.36 0.47 0.48 0.00 -2.08 0.00 0.00 39.78 39.01 1s69 n ASN 80 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1s69 h GLY 81 N 0.59 0.26 0.94 4.83 0.00 -1.99 -1.51 103.07 106.19 1s69 h GLY 81 Ca -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1s69 h GLY 81 CO 0.11 0.11 -0.18 0.83 0.00 0.00 0.00 176.54 177.42 1s69 h GLU 82 N 0.24 0.67 -0.22 4.80 4.39 -1.98 -0.06 114.58 122.43 1s69 h GLU 82 Ca 0.06 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1s69 h GLU 82 Cb 0.13 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1s69 h GLU 82 CO -0.00 0.90 0.12 0.45 -1.16 0.00 0.00 179.01 179.32 1s69 h HIS 83 N 0.43 0.30 -0.45 4.33 3.86 -1.80 -1.36 115.15 120.47 1s69 h HIS 83 Ca 0.07 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1s69 h HIS 83 Cb 0.71 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 29.01 1s69 h HIS 83 CO 0.06 0.26 -0.04 0.35 0.86 0.00 0.00 177.93 179.43 1s69 h PHE 84 N 0.24 -0.10 -0.41 2.45 3.57 -1.14 -1.81 116.94 119.74 1s69 h PHE 84 Ca 0.08 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1s69 h PHE 84 Cb 0.06 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1s69 h PHE 84 CO -0.04 -0.13 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.44 1s69 h ASP 85 N 0.07 0.64 -0.85 0.41 3.32 -0.86 -1.94 116.42 117.21 1s69 h ASP 85 Ca 0.22 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1s69 h ASP 85 Cb 0.33 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1s69 h ASP 85 CO -0.40 0.73 0.55 0.00 -1.72 0.00 0.00 179.24 178.39 1s69 h ALA 86 N 1.34 1.12 -0.27 3.45 0.00 -0.82 -0.54 119.26 123.56 1s69 h ALA 86 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s69 h ALA 86 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1s69 h ALA 86 CO 0.02 0.37 0.02 0.28 0.00 0.00 0.00 179.25 179.95 1s69 h VAL 87 N 1.05 1.24 -0.50 0.00 2.07 -0.97 -0.17 116.25 118.98 1s69 h VAL 87 Ca 0.34 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1s69 h VAL 87 Cb 0.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1s69 h VAL 87 CO -0.12 0.27 0.11 0.00 0.02 0.00 0.00 177.57 177.85 1s69 h ALA 88 N 0.84 0.66 -0.78 1.67 0.00 -1.20 -0.76 119.26 119.69 1s69 h ALA 88 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1s69 h ALA 88 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1s69 h ALA 88 CO 0.01 0.36 0.29 1.49 0.00 0.00 0.00 179.25 181.40 1s69 h GLU 89 N 0.69 1.17 -0.51 0.00 4.81 -1.02 -1.94 114.58 117.78 1s69 h GLU 89 Ca 0.15 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1s69 h GLU 89 Cb 0.35 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1s69 h GLU 89 CO 0.00 0.96 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.67 1s69 h ASP 90 N 1.14 0.99 -0.34 1.04 3.32 -0.71 -0.91 116.42 120.95 1s69 h ASP 90 Ca 0.26 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1s69 h ASP 90 Cb 0.24 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1s69 h ASP 90 CO -0.02 1.12 0.13 0.25 -1.72 0.00 0.00 179.24 179.00 1s69 h LEU 91 N 0.87 0.47 -0.67 1.55 5.85 -0.88 -2.09 115.31 120.41 1s69 h LEU 91 Ca 0.13 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1s69 h LEU 91 Cb 0.69 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1s69 h LEU 91 CO 0.05 0.51 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.99 1s69 h LEU 92 N 0.40 0.24 -0.51 2.25 3.38 -1.21 -2.22 115.31 117.65 1s69 h LEU 92 Ca 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1s69 h LEU 92 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1s69 h LEU 92 CO -0.01 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.51 1s69 h ALA 93 N 1.22 0.66 -0.13 1.53 0.00 -1.12 -0.85 119.26 120.57 1s69 h ALA 93 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1s69 h ALA 93 Cb 1.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1s69 h ALA 93 CO 0.09 0.26 0.07 1.15 0.00 0.00 0.00 179.25 180.82 1s69 h THR 94 N 0.68 1.09 -0.49 0.00 2.02 -1.19 -0.74 112.91 114.28 1s69 h THR 94 Ca 0.17 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1s69 h THR 94 Cb 0.18 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1s69 h THR 94 CO -0.02 0.08 0.29 -0.07 0.37 0.00 0.00 175.52 176.18 1s69 h LEU 95 N 0.11 0.47 -0.49 2.58 3.38 -1.24 -1.76 115.31 118.36 1s69 h LEU 95 Ca 0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1s69 h LEU 95 Cb 0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1s69 h LEU 95 CO -0.01 0.33 0.22 0.50 0.09 0.00 0.00 178.44 179.57 1s69 h LYS 96 N 0.58 0.42 0.00 1.13 3.64 -0.89 -1.53 116.57 119.91 1s69 h LYS 96 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1s69 h LYS 96 Cb 0.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1s69 h LYS 96 CO -0.09 0.28 -0.02 1.49 -2.27 0.00 0.00 179.45 178.83 1s69 h GLU 97 N 0.43 0.00 0.00 1.90 4.81 -0.81 -1.54 114.58 119.37 1s69 h GLU 97 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1s69 h GLU 97 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1s69 h GLU 97 CO -0.19 0.02 -0.27 -1.33 -0.73 0.00 0.00 179.01 176.52 1s69 n MET 98 N -4.19 0.12 -0.20 1.92 2.81 -0.69 -4.90 117.12 111.99 1s69 n MET 98 Ca -0.03 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1s69 n MET 98 Cb 0.11 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1s69 n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s69 n GLY 99 N 1.42 0.89 3.71 3.03 0.00 -0.58 -5.03 105.19 108.63 1s69 n GLY 99 Ca 0.05 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1s69 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s69 s VAL 100 N -2.00 2.50 0.69 1.61 1.01 -0.65 -4.94 120.40 118.62 1s69 s VAL 100 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1s69 s VAL 100 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1s69 s VAL 100 CO 0.00 0.02 1.23 -2.16 0.00 0.00 0.00 175.10 174.19 1s69 s PRO 101 N 1.59 2.36 0.30 2.72 0.04 -1.26 -4.55 135.00 136.21 1s69 s PRO 101 Ca 0.73 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1s69 s PRO 101 Cb -0.45 -1.85 0.52 0.00 0.04 0.00 0.00 34.50 32.76 1s69 s PRO 101 CO 0.32 -1.69 1.93 0.93 0.04 0.00 0.00 177.00 178.53 1s69 h GLU 102 N 0.10 1.01 0.00 4.56 4.39 -1.99 -0.78 114.58 121.87 1s69 h GLU 102 Ca -0.49 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.11 1s69 h GLU 102 Cb 1.31 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1s69 h GLU 102 CO 0.51 0.67 -0.18 0.38 -1.16 0.00 0.00 179.01 179.23 1s69 h ASP 103 N 1.04 0.00 0.37 1.42 2.03 -2.00 -0.86 116.42 118.42 1s69 h ASP 103 Ca 0.36 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.34 1s69 h ASP 103 Cb 0.12 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1s69 h ASP 103 CO -0.12 0.18 -1.53 -0.07 -1.03 0.00 0.00 179.24 176.67 1s69 h LEU 104 N 0.00 0.57 -0.45 0.15 3.38 -1.56 -2.91 115.31 114.49 1s69 h LEU 104 Ca -0.00 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 57.32 1s69 h LEU 104 Cb 0.32 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1s69 h LEU 104 CO 0.02 1.58 0.10 0.40 0.09 0.00 0.00 178.44 180.64 1s69 h ILE 105 N 0.10 0.77 -0.74 1.22 2.04 -1.04 -1.10 117.51 118.76 1s69 h ILE 105 Ca -0.25 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.63 1s69 h ILE 105 Cb 2.07 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 1s69 h ILE 105 CO 0.20 0.04 0.37 0.00 0.00 0.00 0.00 178.15 178.77 1s69 h ALA 106 N 1.34 1.04 -0.73 1.87 0.00 -1.21 -0.96 119.26 120.62 1s69 h ALA 106 Ca 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1s69 h ALA 106 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1s69 h ALA 106 CO -0.28 -0.05 0.36 0.93 0.00 0.00 0.00 179.25 180.21 1s69 h GLU 107 N 0.61 1.04 -0.53 0.00 5.08 -1.16 -2.18 114.58 117.44 1s69 h GLU 107 Ca 0.37 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1s69 h GLU 107 Cb 0.43 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1s69 h GLU 107 CO -0.29 0.81 0.26 0.28 -1.00 0.00 0.00 179.01 179.07 1s69 h VAL 108 N 1.02 1.19 -1.00 3.13 2.07 -0.92 -2.78 116.25 118.96 1s69 h VAL 108 Ca 0.25 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1s69 h VAL 108 Cb 0.10 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1s69 h VAL 108 CO -0.03 0.22 0.64 0.00 0.02 0.00 0.00 177.57 178.41 1s69 h ALA 109 N 1.10 1.49 -0.34 1.67 0.00 -0.91 -1.40 119.26 120.87 1s69 h ALA 109 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1s69 h ALA 109 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1s69 h ALA 109 CO -0.02 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.43 1s69 h ALA 110 N 1.51 1.19 0.19 0.00 0.00 -1.20 -0.91 119.26 120.04 1s69 h ALA 110 Ca 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s69 h ALA 110 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s69 h ALA 110 CO -0.23 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 179.73 1s69 h VAL 111 N 0.53 0.90 -0.29 0.00 2.07 -1.06 -2.57 116.25 115.85 1s69 h VAL 111 Ca 0.10 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1s69 h VAL 111 Cb 0.50 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1s69 h VAL 111 CO 0.03 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.92 1s69 h ALA 112 N 0.01 1.68 -0.02 1.67 0.00 -1.26 -2.96 119.26 118.38 1s69 h ALA 112 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s69 h ALA 112 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1s69 h ALA 112 CO 0.04 0.26 -0.11 0.41 0.00 0.00 0.00 179.25 179.85 1s69 n GLY 113 N -1.32 0.33 3.70 0.00 0.00 -0.35 -4.67 105.19 102.89 1s69 n GLY 113 Ca 0.01 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1s69 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s69 n ALA 114 N 0.51 1.54 -0.34 4.61 0.00 -0.97 -4.77 120.51 121.10 1s69 n ALA 114 Ca 0.15 0.38 0.13 0.00 0.00 0.00 0.00 53.44 54.10 1s69 n ALA 114 Cb 0.47 -2.31 0.32 0.00 0.00 0.00 0.00 19.45 17.93 1s69 n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s69 h PRO 115 N 3.49 0.67 0.00 0.00 0.11 -1.92 -0.55 132.00 133.80 1s69 h PRO 115 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1s69 h PRO 115 Cb 1.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1s69 h PRO 115 CO 0.70 0.44 -0.08 0.00 -0.21 0.00 0.00 178.00 178.85 1s69 h ALA 116 N 1.66 1.58 0.02 -0.75 0.00 -1.96 0.27 119.26 120.08 1s69 h ALA 116 Ca 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1s69 h ALA 116 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1s69 h ALA 116 CO -0.41 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.18 1s69 h HIS 117 N 0.00 -0.02 -0.37 0.00 -0.00 -1.59 -3.34 115.15 109.83 1s69 h HIS 117 Ca -0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1s69 h HIS 117 Cb 0.17 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.53 1s69 h HIS 117 CO 0.00 0.44 0.03 -0.22 -0.00 0.00 0.00 177.93 178.18 1s69 h LYS 118 N -0.99 0.14 -0.78 5.26 3.64 -0.99 -1.40 116.57 121.45 1s69 h LYS 118 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1s69 h LYS 118 Cb 0.47 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1s69 h LYS 118 CO 0.00 0.09 0.39 0.00 -2.27 0.00 0.00 179.45 177.67 1s69 h ARG 119 N 0.14 1.12 -0.00 1.90 2.47 -1.16 -0.67 114.38 118.17 1s69 h ARG 119 Ca 0.18 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1s69 h ARG 119 Cb 0.24 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1s69 h ARG 119 CO -0.28 0.85 -0.01 -0.44 0.56 0.00 0.00 179.97 180.66 1s69 h ASP 120 N 1.10 0.02 -0.29 7.04 3.32 -1.63 0.13 116.42 126.10 1s69 h ASP 120 Ca 0.27 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.80 1s69 h ASP 120 Cb 0.09 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 1s69 h ASP 120 CO -0.04 0.60 -0.14 0.58 -1.72 0.00 0.00 179.24 178.53 1s69 h VAL 121 N -0.57 0.56 -0.00 -1.35 2.07 -1.24 -0.58 116.25 115.13 1s69 h VAL 121 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1s69 h VAL 121 Cb 0.60 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1s69 h VAL 121 CO 0.00 0.00 -0.01 0.18 0.02 0.00 0.00 177.57 177.76 1s69 n LEU 122 N -5.32 0.32 -3.44 2.57 4.77 -0.26 -4.68 117.00 110.97 1s69 n LEU 122 Ca 0.00 -0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.69 1s69 n LEU 122 Cb 0.23 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1s69 n LEU 122 CO 0.17 0.05 0.23 0.59 -1.33 0.00 0.00 177.39 177.11 1s69 n ASN 123 N -0.80 -6.07 -0.84 -1.43 5.03 -0.05 -4.97 115.26 106.12 1s69 n ASN 123 Ca 0.21 -0.51 0.12 0.00 0.87 0.00 0.00 54.58 55.28 1s69 n ASN 123 Cb 0.18 -4.81 0.20 0.00 -1.02 0.00 0.00 39.78 34.34 1s69 n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43