#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic2 s HIS 2 N 0.00 3.20 -0.15 1.45 5.65 -1.26 -4.83 115.29 119.36 3ic2 s HIS 2 Ca 0.00 -2.01 -0.03 0.00 0.25 0.00 0.00 55.06 53.27 3ic2 s HIS 2 Cb 0.00 -2.01 -0.03 0.00 -1.18 0.00 0.00 32.58 29.36 3ic2 s HIS 2 CO 0.00 -0.83 -0.04 -0.51 -0.65 0.00 0.00 174.74 172.71 3ic2 s LEU 3 N 1.20 3.22 0.78 8.88 1.43 -1.26 -5.10 118.68 127.83 3ic2 s LEU 3 Ca -0.05 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3ic2 s LEU 3 Cb -0.19 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.33 3ic2 s LEU 3 CO -0.04 0.18 1.14 0.42 0.23 0.00 0.00 176.35 178.28 3ic2 s THR 4 N 0.29 2.73 0.49 5.49 -4.23 -1.26 -4.71 115.64 114.43 3ic2 s THR 4 Ca -0.04 0.28 0.20 0.00 -1.18 0.00 0.00 61.69 60.96 3ic2 s THR 4 Cb -0.14 -2.66 0.36 0.00 1.34 0.00 0.00 72.50 71.40 3ic2 s THR 4 CO 0.03 -0.27 2.00 -0.65 -0.54 0.00 0.00 174.62 175.19 3ic2 h PRO 5 N -0.94 0.15 -0.41 3.99 0.11 -1.99 -0.70 132.00 132.21 3ic2 h PRO 5 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3ic2 h PRO 5 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3ic2 h PRO 5 CO 0.49 0.10 -0.19 1.49 -0.21 0.00 0.00 178.00 179.67 3ic2 h GLU 6 N 0.15 0.80 -0.07 1.05 4.81 -2.00 -1.76 114.58 117.57 3ic2 h GLU 6 Ca 0.25 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3ic2 h GLU 6 Cb 0.78 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.12 3ic2 h GLU 6 CO -0.03 0.93 -0.53 0.93 -0.73 0.00 0.00 179.01 179.57 3ic2 h GLU 7 N 0.70 0.48 -0.64 1.92 5.08 -1.51 -2.43 114.58 118.17 3ic2 h GLU 7 Ca 0.10 -0.43 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 3ic2 h GLU 7 Cb 0.71 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 3ic2 h GLU 7 CO 0.05 1.07 0.14 -0.22 -1.00 0.00 0.00 179.01 179.05 3ic2 h LYS 8 N 0.04 0.25 -0.28 2.33 1.63 -1.18 0.34 116.57 119.70 3ic2 h LYS 8 Ca -0.05 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3ic2 h LYS 8 Cb 1.20 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3ic2 h LYS 8 CO 0.11 0.17 0.07 0.77 -3.45 0.00 0.00 179.45 177.12 3ic2 h SER 9 N 0.26 0.41 -0.30 4.20 0.02 -1.29 -1.01 113.55 115.84 3ic2 h SER 9 Ca 0.35 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3ic2 h SER 9 Cb 0.54 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3ic2 h SER 9 CO -0.44 0.53 -0.19 0.00 -1.14 0.00 0.00 176.83 175.59 3ic2 h ALA 10 N 0.90 0.92 -0.41 3.77 0.00 -0.80 0.10 119.26 123.74 3ic2 h ALA 10 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3ic2 h ALA 10 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ic2 h ALA 10 CO -0.00 0.62 -0.32 0.28 0.00 0.00 0.00 179.25 179.83 3ic2 h VAL 11 N 0.68 1.27 -0.20 0.00 2.07 -0.28 -1.17 116.25 118.62 3ic2 h VAL 11 Ca 0.10 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 3ic2 h VAL 11 Cb 0.69 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3ic2 h VAL 11 CO 0.05 0.50 -0.16 0.74 0.02 0.00 0.00 177.57 178.73 3ic2 h THR 12 N 0.76 1.32 -0.22 2.57 2.02 -1.07 -1.45 112.91 116.85 3ic2 h THR 12 Ca 0.07 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.99 3ic2 h THR 12 Cb 0.91 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 3ic2 h THR 12 CO 0.08 0.39 0.05 0.00 0.37 0.00 0.00 175.52 176.42 3ic2 h ALA 13 N 0.66 0.22 -0.21 6.16 0.00 -0.76 -2.04 119.26 123.30 3ic2 h ALA 13 Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ic2 h ALA 13 Cb 0.68 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ic2 h ALA 13 CO 0.04 -0.37 0.03 1.25 0.00 0.00 0.00 179.25 180.19 3ic2 h LEU 14 N 0.14 0.33 -2.50 0.00 5.85 -1.20 -2.85 115.31 115.09 3ic2 h LEU 14 Ca 0.10 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ic2 h LEU 14 Cb 0.09 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ic2 h LEU 14 CO -0.12 0.52 -0.00 -0.25 -0.34 0.00 0.00 178.44 178.25 3ic2 h TRP 15 N 0.13 0.00 0.00 1.25 2.91 -1.14 -0.75 115.95 118.35 3ic2 h TRP 15 Ca 0.06 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 3ic2 h TRP 15 Cb 0.33 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.98 3ic2 h TRP 15 CO 0.02 0.00 -0.10 0.78 -1.03 0.00 0.00 178.44 178.12 3ic2 h GLY 16 N 0.03 0.00 0.13 2.65 0.00 -1.12 -1.76 103.07 103.01 3ic2 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ic2 h GLY 16 CO 0.00 0.00 -0.26 0.28 0.00 0.00 0.00 176.54 176.56 3ic2 n LYS 17 N -4.24 0.89 -2.03 4.80 5.02 -0.29 -4.94 118.16 117.36 3ic2 n LYS 17 Ca -0.03 -0.54 -0.39 0.00 -2.02 0.00 0.00 58.31 55.33 3ic2 n LYS 17 Cb 0.18 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ic2 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ic2 s VAL 18 N -2.48 2.57 -0.71 -0.18 1.01 -0.66 -4.94 120.40 115.01 3ic2 s VAL 18 Ca 0.24 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.52 3ic2 s VAL 18 Cb 0.19 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.35 3ic2 s VAL 18 CO 0.52 0.08 0.99 0.21 0.00 0.00 0.00 175.10 176.89 3ic2 s ASN 19 N -0.72 6.26 0.65 3.32 3.84 -1.26 -4.89 114.94 122.14 3ic2 s ASN 19 Ca 0.57 -1.21 0.43 0.00 0.21 0.00 0.00 52.86 52.86 3ic2 s ASN 19 Cb -0.38 -2.41 2.33 0.00 -0.55 0.00 0.00 41.25 40.24 3ic2 s ASN 19 CO 0.50 -1.36 2.31 1.62 -2.79 0.00 0.00 177.10 177.38 3ic2 h VAL 20 N 5.96 0.00 0.00 -5.21 3.04 -1.95 -1.21 116.25 116.88 3ic2 h VAL 20 Ca -0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3ic2 h VAL 20 Cb 1.06 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3ic2 h VAL 20 CO 1.17 0.00 -0.64 0.47 -1.01 0.00 0.00 177.57 177.55 3ic2 n ASP 21 N -3.02 0.69 0.02 3.17 10.43 -1.26 -4.62 116.55 121.96 3ic2 n ASP 21 Ca -0.03 0.10 -0.02 0.00 2.57 0.00 0.00 54.79 57.41 3ic2 n ASP 21 Cb 0.08 0.20 -0.01 0.00 1.84 0.00 0.00 41.12 43.23 3ic2 n ASP 21 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3ic2 n GLU 22 N -2.09 0.10 -0.30 -1.24 -0.58 -0.55 -4.71 120.64 111.28 3ic2 n GLU 22 Ca 0.03 0.04 0.05 0.00 -0.42 0.00 0.00 57.16 56.86 3ic2 n GLU 22 Cb 0.44 -0.67 0.12 0.00 -0.57 0.00 0.00 31.44 30.76 3ic2 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ic2 n VAL 23 N -3.66 -0.35 -0.24 2.62 0.31 -0.65 -0.13 118.33 116.23 3ic2 n VAL 23 Ca -0.03 1.89 -0.06 0.00 -0.01 0.00 0.00 64.34 66.13 3ic2 n VAL 23 Cb 0.10 -2.61 0.05 0.00 -0.91 0.00 0.00 33.84 30.46 3ic2 n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ic2 h GLY 24 N 0.00 0.94 1.60 2.92 0.00 -1.79 -0.09 103.07 106.65 3ic2 h GLY 24 Ca 0.40 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 3ic2 h GLY 24 CO -0.85 0.36 -0.37 -1.33 0.00 0.00 0.00 176.54 174.35 3ic2 h GLY 25 N 0.90 0.49 1.15 4.60 0.00 -0.69 -1.39 103.07 108.12 3ic2 h GLY 25 Ca 0.24 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3ic2 h GLY 25 CO -0.05 0.42 -0.32 -2.09 0.00 0.00 0.00 176.54 174.50 3ic2 h GLU 26 N 0.38 0.94 -0.08 4.80 4.57 -0.82 -0.55 114.58 123.82 3ic2 h GLU 26 Ca 0.04 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 3ic2 h GLU 26 Cb 0.83 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3ic2 h GLU 26 CO 0.07 1.12 -0.10 0.00 -1.18 0.00 0.00 179.01 178.92 3ic2 h ALA 27 N 0.84 0.12 -0.24 2.92 0.00 -0.89 -0.58 119.26 121.43 3ic2 h ALA 27 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ic2 h ALA 27 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3ic2 h ALA 27 CO 0.08 -0.04 0.16 1.25 0.00 0.00 0.00 179.25 180.70 3ic2 h LEU 28 N -0.24 0.27 -0.76 0.00 5.85 -1.29 -0.54 115.31 118.61 3ic2 h LEU 28 Ca 0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ic2 h LEU 28 Cb 0.63 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3ic2 h LEU 28 CO 0.02 0.20 0.45 1.23 -0.34 0.00 0.00 178.44 180.00 3ic2 h GLY 29 N 0.32 1.13 1.81 3.75 0.00 -1.08 -1.30 103.07 107.70 3ic2 h GLY 29 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3ic2 h GLY 29 CO -0.02 0.20 -0.34 3.21 0.00 0.00 0.00 176.54 179.60 3ic2 h ARG 30 N 0.81 0.22 -0.48 4.80 3.08 -0.71 -2.02 114.38 120.08 3ic2 h ARG 30 Ca 0.34 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.32 3ic2 h ARG 30 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3ic2 h ARG 30 CO -0.18 0.54 0.27 1.25 -1.07 0.00 0.00 179.97 180.78 3ic2 h LEU 31 N 0.19 0.43 -1.07 3.04 5.85 0.04 0.13 115.31 123.92 3ic2 h LEU 31 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ic2 h LEU 31 Cb 0.69 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3ic2 h LEU 31 CO 0.05 0.31 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.24 3ic2 h LEU 32 N 0.55 0.00 0.12 2.25 3.38 -0.95 -1.30 115.31 119.36 3ic2 h LEU 32 Ca 0.20 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.81 3ic2 h LEU 32 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ic2 h LEU 32 CO -0.10 0.15 -1.93 0.58 0.09 0.00 0.00 178.44 177.23 3ic2 h VAL 33 N 0.00 0.70 0.05 1.22 2.07 -0.85 -3.31 116.25 116.13 3ic2 h VAL 33 Ca -0.00 -2.41 -0.23 0.00 0.82 0.00 0.00 66.70 64.87 3ic2 h VAL 33 Cb 0.73 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3ic2 h VAL 33 CO 0.02 0.85 -1.04 0.58 0.02 0.00 0.00 177.57 178.00 3ic2 h VAL 34 N 0.07 1.51 -2.91 2.57 2.07 -0.79 -3.38 116.25 115.39 3ic2 h VAL 34 Ca -0.39 -2.85 -0.61 0.00 0.82 0.00 0.00 66.70 63.66 3ic2 h VAL 34 Cb 2.04 2.68 -0.41 0.00 -1.52 0.00 0.00 31.29 34.08 3ic2 h VAL 34 CO 0.10 0.83 -0.69 -0.31 0.02 0.00 0.00 177.57 177.52 3ic2 s TYR 35 N -2.96 2.78 0.41 1.57 2.02 -0.49 -5.00 117.35 115.68 3ic2 s TYR 35 Ca -0.03 -3.00 0.24 0.00 -0.37 0.00 0.00 57.07 53.91 3ic2 s TYR 35 Cb 0.09 -2.19 1.29 0.00 -0.40 0.00 0.00 41.96 40.75 3ic2 s TYR 35 CO 0.85 -0.65 1.66 -1.35 -1.57 0.00 0.00 175.55 174.49 3ic2 h PRO 36 N 5.64 0.18 0.00 -1.71 0.11 -1.75 -1.24 132.00 133.23 3ic2 h PRO 36 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3ic2 h PRO 36 Cb 0.82 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3ic2 h PRO 36 CO 0.61 0.12 -0.01 0.11 -0.21 0.00 0.00 178.00 178.62 3ic2 h TRP 37 N 0.19 0.00 0.00 0.65 0.09 -1.93 -1.84 115.95 113.12 3ic2 h TRP 37 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.74 3ic2 h TRP 37 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.40 3ic2 h TRP 37 CO -0.01 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.32 3ic2 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.54 -2.26 112.91 110.58 3ic2 h THR 38 Ca -0.00 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 3ic2 h THR 38 Cb 0.27 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3ic2 h THR 38 CO 0.00 0.00 -0.14 1.56 -0.25 0.00 0.00 175.52 176.69 3ic2 h GLN 39 N 0.00 0.00 -0.78 4.72 4.20 -1.53 -2.41 115.11 119.32 3ic2 h GLN 39 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3ic2 h GLN 39 Cb 0.34 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 3ic2 h GLN 39 CO 0.00 0.14 0.51 -0.09 -0.67 0.00 0.00 178.83 178.72 3ic2 h ARG 40 N 0.00 0.48 0.00 1.46 2.43 -1.60 0.11 114.38 117.26 3ic2 h ARG 40 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ic2 h ARG 40 Cb 0.27 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ic2 h ARG 40 CO 0.02 0.32 0.00 1.19 -1.51 0.00 0.00 179.97 179.98 3ic2 n PHE 41 N -4.50 0.81 -1.24 2.20 3.72 -0.90 -3.61 117.46 113.94 3ic2 n PHE 41 Ca 0.15 0.27 0.09 0.00 -0.05 0.00 0.00 57.45 57.91 3ic2 n PHE 41 Cb 0.49 -0.94 0.16 0.00 -0.94 0.00 0.00 39.48 38.25 3ic2 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ic2 n PHE 42 N -2.19 0.00 0.07 1.38 3.72 0.35 -4.83 117.46 115.95 3ic2 n PHE 42 Ca 0.04 -1.13 0.03 0.00 -0.05 0.00 0.00 57.45 56.35 3ic2 n PHE 42 Cb 0.33 -0.18 0.18 0.00 -0.94 0.00 0.00 39.48 38.87 3ic2 n PHE 42 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ic2 n GLU 43 N -1.32 0.04 0.00 -1.08 1.02 -0.96 -0.91 120.64 117.43 3ic2 n GLU 43 Ca 0.17 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.90 3ic2 n GLU 43 Cb 0.66 -1.79 0.41 0.00 -0.02 0.00 0.00 31.44 30.70 3ic2 n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ic2 n SER 44 N -1.68 1.33 0.08 1.62 3.41 -1.26 -3.88 113.62 113.23 3ic2 n SER 44 Ca -0.00 -1.21 0.12 0.00 -0.26 0.00 0.00 58.87 57.52 3ic2 n SER 44 Cb 0.16 0.09 0.46 0.00 -0.26 0.00 0.00 64.21 64.65 3ic2 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ic2 n PHE 45 N -0.21 0.61 0.00 7.33 3.01 -0.09 -5.03 117.46 123.08 3ic2 n PHE 45 Ca 0.15 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.81 3ic2 n PHE 45 Cb 0.36 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 3ic2 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ic2 n GLY 46 N 0.89 0.60 3.65 1.37 0.00 -1.25 -4.69 105.19 105.76 3ic2 n GLY 46 Ca 0.05 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3ic2 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ic2 s ASP 47 N -4.00 6.34 -0.01 1.61 -1.08 -1.26 -4.82 116.67 113.44 3ic2 s ASP 47 Ca 0.00 2.41 0.09 0.00 -0.52 0.00 0.00 52.55 54.53 3ic2 s ASP 47 Cb 0.00 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.08 3ic2 s ASP 47 CO 0.00 -1.18 1.06 0.18 0.52 0.00 0.00 175.17 175.75 3ic2 n LEU 48 N 8.14 0.50 0.31 -1.34 4.77 -1.26 -4.32 117.00 123.80 3ic2 n LEU 48 Ca 0.21 -1.49 0.19 0.00 -0.03 0.00 0.00 56.01 54.88 3ic2 n LEU 48 Cb 0.42 -0.04 0.97 0.00 -2.33 0.00 0.00 43.42 42.44 3ic2 n LEU 48 CO 0.66 0.38 1.10 0.77 -1.33 0.00 0.00 177.39 178.97 3ic2 h SER 49 N 0.31 0.00 -5.11 -1.43 4.64 -1.92 -3.44 113.55 106.60 3ic2 h SER 49 Ca -0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 3ic2 h SER 49 Cb 1.51 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.45 3ic2 h SER 49 CO 0.03 0.03 -0.31 0.42 -0.87 0.00 0.00 176.83 176.12 3ic2 s THR 50 N -4.10 0.11 0.17 2.95 -4.23 -1.26 -5.02 115.64 104.26 3ic2 s THR 50 Ca -0.03 -0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3ic2 s THR 50 Cb 0.12 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.86 3ic2 s THR 50 CO 0.49 -0.52 1.58 -0.65 -0.54 0.00 0.00 174.62 174.98 3ic2 h PRO 51 N 2.94 -0.25 -0.92 3.99 0.11 -1.97 0.94 132.00 136.84 3ic2 h PRO 51 Ca -0.33 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.89 3ic2 h PRO 51 Cb 1.20 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3ic2 h PRO 51 CO 0.51 -0.17 0.59 -0.44 -0.21 0.00 0.00 178.00 178.29 3ic2 h ASP 52 N -0.26 0.86 -0.58 -2.05 3.32 -1.98 0.57 116.42 116.31 3ic2 h ASP 52 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3ic2 h ASP 52 Cb 0.56 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3ic2 h ASP 52 CO -0.61 0.51 0.07 0.00 -1.72 0.00 0.00 179.24 177.49 3ic2 h ALA 53 N 1.54 0.77 0.19 3.45 0.00 -1.36 -0.52 119.26 123.32 3ic2 h ALA 53 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ic2 h ALA 53 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ic2 h ALA 53 CO -0.18 0.54 -0.09 0.28 0.00 0.00 0.00 179.25 179.80 3ic2 h VAL 54 N 0.87 0.91 0.00 0.00 2.07 0.27 -0.64 116.25 119.73 3ic2 h VAL 54 Ca 0.17 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3ic2 h VAL 54 Cb 0.45 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3ic2 h VAL 54 CO 0.02 0.11 -0.06 0.24 0.02 0.00 0.00 177.57 177.90 3ic2 h MET 55 N -0.49 0.00 -0.02 1.57 2.07 -0.90 -2.19 114.93 114.97 3ic2 h MET 55 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3ic2 h MET 55 Cb 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 3ic2 h MET 55 CO 0.04 0.06 -0.23 0.41 1.07 0.00 0.00 176.91 178.27 3ic2 n GLY 56 N -0.71 0.52 3.64 8.32 0.00 -0.21 -4.91 105.19 111.85 3ic2 n GLY 56 Ca -0.02 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3ic2 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ic2 s ASN 57 N -2.23 6.50 0.14 1.61 3.84 -0.26 -4.92 114.94 119.62 3ic2 s ASN 57 Ca 0.24 1.81 -0.24 0.00 0.21 0.00 0.00 52.86 54.87 3ic2 s ASN 57 Cb 0.19 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 3ic2 s ASN 57 CO 0.43 -1.13 1.62 -0.65 -2.79 0.00 0.00 177.10 174.58 3ic2 h PRO 58 N 10.22 -0.30 -0.78 0.43 0.11 -1.89 -0.39 132.00 139.39 3ic2 h PRO 58 Ca -0.35 0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.95 3ic2 h PRO 58 Cb 1.16 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3ic2 h PRO 58 CO 0.98 -0.20 0.52 0.87 -0.21 0.00 0.00 178.00 179.96 3ic2 h LYS 59 N -0.32 0.36 -0.35 1.05 1.57 -1.91 0.84 116.57 117.81 3ic2 h LYS 59 Ca 0.12 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3ic2 h LYS 59 Cb 0.50 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3ic2 h LYS 59 CO -0.37 0.24 -0.27 0.28 -0.57 0.00 0.00 179.45 178.76 3ic2 h VAL 60 N 0.37 1.29 -0.40 0.50 2.07 -1.42 -1.85 116.25 116.80 3ic2 h VAL 60 Ca 0.38 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 3ic2 h VAL 60 Cb 0.96 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3ic2 h VAL 60 CO -0.12 0.47 -0.19 0.50 0.02 0.00 0.00 177.57 178.25 3ic2 h LYS 61 N 0.58 0.77 -0.13 1.57 3.64 -0.09 -1.78 116.57 121.13 3ic2 h LYS 61 Ca 0.06 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 3ic2 h LYS 61 Cb 0.84 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3ic2 h LYS 61 CO 0.07 0.90 -0.06 0.00 -2.27 0.00 0.00 179.45 178.09 3ic2 h ALA 62 N 1.11 0.18 -0.11 5.00 0.00 -0.92 -3.04 119.26 121.49 3ic2 h ALA 62 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3ic2 h ALA 62 Cb 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ic2 h ALA 62 CO 0.05 -0.03 -0.24 1.25 0.00 0.00 0.00 179.25 180.28 3ic2 h HIS 63 N -0.07 0.20 -0.98 0.00 -0.00 -1.32 -2.77 115.15 110.21 3ic2 h HIS 63 Ca 0.03 -0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3ic2 h HIS 63 Cb 0.53 -0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 27.82 3ic2 h HIS 63 CO 0.07 0.41 0.63 0.78 -0.00 0.00 0.00 177.93 179.82 3ic2 h GLY 64 N 0.90 1.48 0.58 5.26 0.00 -1.21 -2.36 103.07 107.72 3ic2 h GLY 64 Ca 0.03 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 46.96 3ic2 h GLY 64 CO 0.04 0.32 0.20 0.50 0.00 0.00 0.00 176.54 177.60 3ic2 h LYS 65 N 1.13 0.39 -0.40 4.80 1.57 -1.43 -1.09 116.57 121.53 3ic2 h LYS 65 Ca 0.42 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3ic2 h LYS 65 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3ic2 h LYS 65 CO -0.17 0.26 0.24 0.87 -0.57 0.00 0.00 179.45 180.08 3ic2 h LYS 66 N 0.40 0.55 -0.32 3.15 1.57 -1.53 0.59 116.57 120.97 3ic2 h LYS 66 Ca 0.24 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3ic2 h LYS 66 Cb 0.22 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3ic2 h LYS 66 CO -0.22 0.41 -0.02 0.28 -0.57 0.00 0.00 179.45 179.33 3ic2 h VAL 67 N 0.53 0.74 -0.61 0.50 2.07 -1.06 0.07 116.25 118.50 3ic2 h VAL 67 Ca 0.14 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3ic2 h VAL 67 Cb -0.00 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ic2 h VAL 67 CO -0.03 0.01 0.40 0.25 0.02 0.00 0.00 177.57 178.23 3ic2 h LEU 68 N 0.07 0.69 -0.35 2.57 5.85 -0.80 -1.74 115.31 121.61 3ic2 h LEU 68 Ca 0.16 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3ic2 h LEU 68 Cb 0.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3ic2 h LEU 68 CO -0.28 0.50 0.01 1.23 -0.34 0.00 0.00 178.44 179.56 3ic2 h GLY 69 N 0.82 0.35 0.72 3.75 0.00 0.13 0.15 103.07 108.99 3ic2 h GLY 69 Ca 0.22 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.62 3ic2 h GLY 69 CO -0.05 -0.07 0.12 0.00 0.00 0.00 0.00 176.54 176.54 3ic2 h ALA 70 N 1.30 0.40 -0.98 3.60 0.00 -0.48 0.17 119.26 123.26 3ic2 h ALA 70 Ca 0.17 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3ic2 h ALA 70 Cb 0.23 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3ic2 h ALA 70 CO -0.28 -0.27 0.63 0.74 0.00 0.00 0.00 179.25 180.07 3ic2 h PHE 71 N 0.27 1.12 -0.23 0.00 0.04 -0.59 0.05 116.94 117.60 3ic2 h PHE 71 Ca 0.15 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3ic2 h PHE 71 Cb 0.12 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 3ic2 h PHE 71 CO -0.14 0.50 0.13 0.77 -0.60 0.00 0.00 178.31 178.98 3ic2 h SER 72 N 1.03 0.28 -0.61 2.17 0.02 0.17 0.04 113.55 116.65 3ic2 h SER 72 Ca 0.46 -0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.44 3ic2 h SER 72 Cb 0.38 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 3ic2 h SER 72 CO -0.22 0.27 0.19 0.44 -1.14 0.00 0.00 176.83 176.37 3ic2 h ASP 73 N 0.27 0.13 -0.61 3.07 3.32 0.84 -0.49 116.42 122.95 3ic2 h ASP 73 Ca 0.08 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.26 3ic2 h ASP 73 Cb 0.05 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3ic2 h ASP 73 CO -0.01 0.08 0.37 1.23 -1.72 0.00 0.00 179.24 179.18 3ic2 h GLY 74 N 0.34 0.88 2.00 2.75 0.00 -0.34 -0.31 103.07 108.39 3ic2 h GLY 74 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3ic2 h GLY 74 CO -0.35 0.21 0.00 1.41 0.00 0.00 0.00 176.54 177.81 3ic2 h LEU 75 N 0.71 0.00 -2.24 3.11 3.38 0.62 0.93 115.31 121.82 3ic2 h LEU 75 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ic2 h LEU 75 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ic2 h LEU 75 CO -0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.41 3ic2 n ALA 76 N -1.83 2.42 -2.73 1.53 0.00 -0.17 -4.44 120.51 115.29 3ic2 n ALA 76 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.48 3ic2 n ALA 76 Cb 0.10 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 18.81 3ic2 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic2 n HIS 77 N 1.42 -0.70 0.11 0.00 8.25 0.23 -4.90 115.22 119.62 3ic2 n HIS 77 Ca 0.18 -1.97 0.06 0.00 -0.26 0.00 0.00 57.72 55.73 3ic2 n HIS 77 Cb 0.59 0.79 0.34 0.00 1.12 0.00 0.00 29.99 32.83 3ic2 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ic2 n LEU 78 N -1.01 0.32 0.20 2.41 4.32 -0.64 -0.02 117.00 122.59 3ic2 n LEU 78 Ca -0.06 0.61 0.14 0.00 -0.02 0.00 0.00 56.01 56.68 3ic2 n LEU 78 Cb 0.84 -0.63 0.39 0.00 -1.62 0.00 0.00 43.42 42.40 3ic2 n LEU 78 CO -0.04 -0.72 0.88 -2.24 -1.22 0.00 0.00 177.39 174.05 3ic2 h ASP 79 N 0.00 0.00 -0.66 -1.43 3.04 -1.88 -3.39 116.42 112.11 3ic2 h ASP 79 Ca 0.00 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.46 3ic2 h ASP 79 Cb 0.15 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 38.22 3ic2 h ASP 79 CO 0.00 0.00 -0.69 -3.20 -2.04 0.00 0.00 179.24 173.31 3ic2 n ASN 80 N -2.84 -1.67 0.24 4.15 5.15 0.98 -4.98 115.26 116.28 3ic2 n ASN 80 Ca 0.03 -3.24 -0.15 0.00 -0.60 0.00 0.00 54.58 50.61 3ic2 n ASN 80 Cb 0.42 1.05 -0.08 0.00 -0.53 0.00 0.00 39.78 40.63 3ic2 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3ic2 h LEU 81 N 3.63 -0.46 -0.90 1.20 -0.00 -1.74 -1.75 115.31 115.29 3ic2 h LEU 81 Ca -0.06 -0.01 0.19 0.00 -0.00 0.00 0.00 57.88 58.00 3ic2 h LEU 81 Cb 1.01 0.12 -0.17 0.00 -0.00 0.00 0.00 40.66 41.62 3ic2 h LEU 81 CO 0.33 -0.30 -0.18 0.11 -0.00 0.00 0.00 178.44 178.39 3ic2 h LYS 82 N -0.59 0.01 0.07 1.13 1.79 -1.88 -0.22 116.57 116.89 3ic2 h LYS 82 Ca -0.06 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3ic2 h LYS 82 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3ic2 h LYS 82 CO 0.09 0.00 -0.04 0.78 -1.08 0.00 0.00 179.45 179.21 3ic2 h GLY 83 N 0.01 -0.10 0.47 3.86 0.00 -1.91 -2.56 103.07 102.83 3ic2 h GLY 83 Ca 0.45 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.96 3ic2 h GLY 83 CO -0.91 -0.04 0.60 -0.84 0.00 0.00 0.00 176.54 175.35 3ic2 h THR 84 N -0.44 0.84 -0.60 4.70 2.02 -0.30 -2.41 112.91 116.73 3ic2 h THR 84 Ca -0.01 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 3ic2 h THR 84 Cb 0.38 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.71 3ic2 h THR 84 CO 0.02 0.14 0.13 0.49 0.37 0.00 0.00 175.52 176.67 3ic2 n PHE 85 N -4.59 2.04 -0.24 3.16 3.72 -0.22 -4.60 117.46 116.73 3ic2 n PHE 85 Ca 0.18 -1.04 -0.07 0.00 -0.05 0.00 0.00 57.45 56.47 3ic2 n PHE 85 Cb 0.45 -0.57 0.04 0.00 -0.94 0.00 0.00 39.48 38.46 3ic2 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ic2 h ALA 86 N 2.82 0.86 0.43 4.37 0.00 -1.00 -0.42 119.26 126.32 3ic2 h ALA 86 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ic2 h ALA 86 Cb 2.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3ic2 h ALA 86 CO 0.57 0.51 -0.21 1.15 0.00 0.00 0.00 179.25 181.27 3ic2 h THR 87 N 0.94 0.52 -0.87 0.00 2.02 -1.82 -2.68 112.91 111.03 3ic2 h THR 87 Ca 0.22 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 67.08 3ic2 h THR 87 Cb 0.26 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3ic2 h THR 87 CO -0.01 0.07 0.56 -0.07 0.37 0.00 0.00 175.52 176.44 3ic2 h LEU 88 N -0.83 0.78 -1.43 2.58 3.38 -1.87 -1.19 115.31 116.73 3ic2 h LEU 88 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ic2 h LEU 88 Cb 0.55 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ic2 h LEU 88 CO 0.10 0.47 0.37 -1.28 0.09 0.00 0.00 178.44 178.19 3ic2 h SER 89 N 0.87 0.66 0.14 -0.43 0.87 -0.97 0.93 113.55 115.61 3ic2 h SER 89 Ca 0.40 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.72 3ic2 h SER 89 Cb 0.38 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3ic2 h SER 89 CO -0.16 0.48 -0.85 -0.08 -0.53 0.00 0.00 176.83 175.68 3ic2 h GLU 90 N 0.77 0.55 -0.39 2.24 4.81 -0.89 -1.64 114.58 120.03 3ic2 h GLU 90 Ca 0.21 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3ic2 h GLU 90 Cb -0.08 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3ic2 h GLU 90 CO -0.04 1.14 0.15 1.25 -0.73 0.00 0.00 179.01 180.77 3ic2 h LEU 91 N 0.35 0.55 -0.01 1.64 5.85 -0.72 -0.36 115.31 122.62 3ic2 h LEU 91 Ca -0.07 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.29 3ic2 h LEU 91 Cb 1.47 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3ic2 h LEU 91 CO 0.16 0.59 -0.86 0.45 -0.34 0.00 0.00 178.44 178.43 3ic2 h HIS 92 N 0.49 0.00 0.00 1.25 3.86 -0.89 -0.12 115.15 119.74 3ic2 h HIS 92 Ca 0.13 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3ic2 h HIS 92 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3ic2 h HIS 92 CO 0.00 0.86 -1.03 0.00 0.86 0.00 0.00 177.93 178.63 3ic2 h ASP 94 N -1.00 0.63 0.06 0.00 3.32 -1.24 -2.96 116.42 115.23 3ic2 h ASP 94 Ca -0.09 -0.49 -0.32 0.00 0.02 0.00 0.00 57.03 56.16 3ic2 h ASP 94 Cb 0.94 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3ic2 h ASP 94 CO -0.05 0.99 -1.75 1.17 -1.72 0.00 0.00 179.24 177.88 3ic2 n LYS 95 N -4.35 0.67 -0.03 3.56 4.81 -0.85 -4.64 118.16 117.33 3ic2 n LYS 95 Ca -0.05 0.39 -0.10 0.00 -0.87 0.00 0.00 58.31 57.68 3ic2 n LYS 95 Cb 0.45 -1.71 -0.14 0.00 0.02 0.00 0.00 35.03 33.65 3ic2 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ic2 n LEU 96 N -3.90 0.90 -1.21 3.14 4.77 -0.06 -5.00 117.00 115.62 3ic2 n LEU 96 Ca -0.34 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3ic2 n LEU 96 Cb 0.89 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 3ic2 n LEU 96 CO 0.30 0.44 -0.14 1.41 -1.33 0.00 0.00 177.39 178.07 3ic2 n HIS 97 N -3.04 -0.27 -1.70 -1.77 8.25 -0.53 -4.96 115.22 111.21 3ic2 n HIS 97 Ca -0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 3ic2 n HIS 97 Cb 1.07 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 29.57 3ic2 n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ic2 n VAL 98 N -3.24 0.18 -1.91 1.59 0.31 -0.34 -4.90 118.33 110.02 3ic2 n VAL 98 Ca -0.14 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 3ic2 n VAL 98 Cb 0.51 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 3ic2 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ic2 s ASP 99 N 1.92 6.52 0.48 4.52 2.15 -1.26 -4.77 116.67 126.24 3ic2 s ASP 99 Ca 0.79 2.84 0.31 0.00 0.43 0.00 0.00 52.55 56.92 3ic2 s ASP 99 Cb -0.52 -2.64 1.41 0.00 -0.30 0.00 0.00 42.92 40.87 3ic2 s ASP 99 CO 0.36 -0.78 1.75 -0.65 -0.17 0.00 0.00 175.17 175.68 3ic2 h PRO 100 N 4.35 0.13 -0.26 4.34 0.11 -1.92 -1.02 132.00 137.74 3ic2 h PRO 100 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3ic2 h PRO 100 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ic2 h PRO 100 CO 0.74 0.09 0.11 1.49 -0.21 0.00 0.00 178.00 180.22 3ic2 h GLU 101 N 0.14 0.36 -0.08 1.05 4.57 -2.00 -1.99 114.58 116.63 3ic2 h GLU 101 Ca 0.63 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.71 3ic2 h GLU 101 Cb 2.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.68 3ic2 h GLU 101 CO -0.15 0.30 -0.24 -0.91 -1.18 0.00 0.00 179.01 176.82 3ic2 h ASN 102 N 0.37 0.13 -0.72 1.04 2.35 -1.54 -1.48 115.58 115.72 3ic2 h ASN 102 Ca 0.09 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3ic2 h ASN 102 Cb 0.07 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3ic2 h ASN 102 CO -0.01 0.39 0.36 -0.26 -1.65 0.00 0.00 177.43 176.25 3ic2 h PHE 103 N 0.13 1.03 -0.63 1.19 0.04 -1.48 -0.68 116.94 116.54 3ic2 h PHE 103 Ca 0.02 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 3ic2 h PHE 103 Cb 0.51 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3ic2 h PHE 103 CO 0.00 0.75 0.13 -0.09 -0.60 0.00 0.00 178.31 178.51 3ic2 h ARG 104 N 1.01 1.02 -0.12 1.51 2.43 -1.35 -2.25 114.38 116.63 3ic2 h ARG 104 Ca 0.25 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ic2 h ARG 104 Cb 0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ic2 h ARG 104 CO -0.03 0.94 0.05 -0.07 -1.51 0.00 0.00 179.97 179.35 3ic2 h LEU 105 N 0.94 0.17 -1.19 3.80 3.38 -0.76 -1.40 115.31 120.25 3ic2 h LEU 105 Ca 0.19 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ic2 h LEU 105 Cb 0.39 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3ic2 h LEU 105 CO 0.01 0.28 0.56 0.25 0.09 0.00 0.00 178.44 179.62 3ic2 h LEU 106 N 0.05 0.90 -0.26 1.67 5.85 -1.09 0.00 115.31 122.44 3ic2 h LEU 106 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ic2 h LEU 106 Cb 0.16 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3ic2 h LEU 106 CO -0.00 0.62 0.15 1.23 -0.34 0.00 0.00 178.44 180.09 3ic2 h GLY 107 N 1.05 0.38 1.97 3.75 0.00 -0.96 -1.18 103.07 108.08 3ic2 h GLY 107 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3ic2 h GLY 107 CO -0.10 0.16 -0.44 3.43 0.00 0.00 0.00 176.54 179.59 3ic2 h ASN 108 N 0.32 0.03 -0.37 0.19 2.35 -0.66 -2.19 115.58 115.24 3ic2 h ASN 108 Ca 0.09 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3ic2 h ASN 108 Cb 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3ic2 h ASN 108 CO -0.02 0.47 0.07 0.58 -1.65 0.00 0.00 177.43 176.88 3ic2 h VAL 109 N 0.03 1.24 -0.67 2.81 2.07 -0.57 -0.66 116.25 120.49 3ic2 h VAL 109 Ca -0.00 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3ic2 h VAL 109 Cb 0.78 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3ic2 h VAL 109 CO 0.06 0.28 0.39 0.25 0.02 0.00 0.00 177.57 178.57 3ic2 h LEU 110 N 0.46 0.61 -1.10 2.57 5.85 -0.99 0.14 115.31 122.85 3ic2 h LEU 110 Ca 0.11 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ic2 h LEU 110 Cb 0.35 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3ic2 h LEU 110 CO 0.01 0.41 0.45 0.58 -0.34 0.00 0.00 178.44 179.55 3ic2 h VAL 111 N 0.74 1.22 -0.56 1.05 2.07 -0.98 0.30 116.25 120.10 3ic2 h VAL 111 Ca 0.29 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3ic2 h VAL 111 Cb 0.11 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ic2 h VAL 111 CO -0.15 0.24 0.02 0.00 0.02 0.00 0.00 177.57 177.70 3ic2 h VAL 113 N 0.87 1.27 -0.66 0.00 2.07 0.23 -1.05 116.25 118.98 3ic2 h VAL 113 Ca 0.17 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 3ic2 h VAL 113 Cb 0.49 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3ic2 h VAL 113 CO 0.02 0.41 0.16 -0.07 0.02 0.00 0.00 177.57 178.11 3ic2 h LEU 114 N 0.84 1.00 -0.79 2.57 3.38 -0.76 -1.42 115.31 120.13 3ic2 h LEU 114 Ca 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ic2 h LEU 114 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ic2 h LEU 114 CO 0.03 0.97 0.18 0.00 0.09 0.00 0.00 178.44 179.72 3ic2 h ALA 115 N 1.06 1.01 -0.59 1.53 0.00 -1.09 -1.57 119.26 119.61 3ic2 h ALA 115 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ic2 h ALA 115 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ic2 h ALA 115 CO 0.00 0.65 0.31 1.25 0.00 0.00 0.00 179.25 181.46 3ic2 h HIS 116 N 1.04 0.83 0.02 0.00 -0.00 -0.63 0.12 115.15 116.54 3ic2 h HIS 116 Ca 0.22 -0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.35 3ic2 h HIS 116 Cb 0.34 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3ic2 h HIS 116 CO 0.03 0.61 -0.97 0.45 -0.00 0.00 0.00 177.93 178.05 3ic2 h HIS 117 N 0.81 0.14 -0.00 5.26 -0.00 -1.11 -3.35 115.15 116.90 3ic2 h HIS 117 Ca 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3ic2 h HIS 117 Cb 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3ic2 h HIS 117 CO -0.01 1.00 -0.72 1.19 -0.00 0.00 0.00 177.93 179.39 3ic2 n PHE 118 N -3.50 0.00 -0.93 2.45 3.72 -0.61 -5.05 117.46 113.54 3ic2 n PHE 118 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3ic2 n PHE 118 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3ic2 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ic2 n GLY 119 N 1.37 2.55 0.35 1.37 0.00 0.43 -1.47 105.19 109.79 3ic2 n GLY 119 Ca 0.04 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3ic2 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic2 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.34 116.57 120.19 3ic2 h LYS 120 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3ic2 h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ic2 h LYS 120 CO 0.00 0.00 -0.27 1.49 -2.27 0.00 0.00 179.45 178.40 3ic2 h GLU 121 N 0.00 0.00 -3.74 1.90 4.81 -1.64 -3.32 114.58 112.59 3ic2 h GLU 121 Ca 0.04 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.53 3ic2 h GLU 121 Cb 1.08 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.36 3ic2 h GLU 121 CO -0.00 0.27 2.50 0.34 -0.73 0.00 0.00 179.01 181.39 3ic2 n PHE 122 N -3.43 3.22 -1.17 0.92 7.35 0.12 -4.96 117.46 119.51 3ic2 n PHE 122 Ca 0.00 -2.87 -0.31 0.00 -0.76 0.00 0.00 57.45 53.51 3ic2 n PHE 122 Cb 0.46 -2.22 0.11 0.00 0.35 0.00 0.00 39.48 38.18 3ic2 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ic2 s THR 123 N 1.62 3.01 0.28 -2.13 -4.23 -1.25 -4.72 115.64 108.23 3ic2 s THR 123 Ca 0.43 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 3ic2 s THR 123 Cb 0.11 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.51 3ic2 s THR 123 CO -0.04 -0.42 1.70 -0.65 -0.54 0.00 0.00 174.62 174.67 3ic2 h PRO 124 N -1.21 0.38 -0.32 3.99 0.11 -1.93 0.44 132.00 133.47 3ic2 h PRO 124 Ca -0.44 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3ic2 h PRO 124 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ic2 h PRO 124 CO 0.49 0.25 -0.12 -1.35 -0.21 0.00 0.00 178.00 177.07 3ic2 h PRO 125 N 0.40 0.65 -0.89 1.05 0.11 -1.99 -2.13 132.00 129.20 3ic2 h PRO 125 Ca 0.53 -0.27 0.01 0.00 0.11 0.00 0.00 66.00 66.39 3ic2 h PRO 125 Cb 0.99 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3ic2 h PRO 125 CO -0.52 0.84 0.58 0.28 -0.21 0.00 0.00 178.00 178.97 3ic2 h VAL 126 N 0.42 1.23 -0.38 3.15 2.07 -1.59 -1.34 116.25 119.81 3ic2 h VAL 126 Ca 0.08 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3ic2 h VAL 126 Cb 0.63 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3ic2 h VAL 126 CO 0.04 0.23 0.15 -0.61 0.02 0.00 0.00 177.57 177.39 3ic2 h GLN 127 N 1.21 0.30 -0.81 1.57 4.15 -0.82 -1.26 115.11 119.45 3ic2 h GLN 127 Ca 0.32 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.81 3ic2 h GLN 127 Cb -0.12 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.43 3ic2 h GLN 127 CO -0.07 0.20 0.47 0.00 -1.93 0.00 0.00 178.83 177.50 3ic2 h ALA 128 N 1.23 1.14 -0.34 3.38 0.00 -0.65 0.43 119.26 124.45 3ic2 h ALA 128 Ca 0.17 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ic2 h ALA 128 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ic2 h ALA 128 CO -0.16 0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.44 3ic2 h ALA 129 N 1.43 0.43 -0.40 0.00 0.00 -0.30 -2.82 119.26 117.59 3ic2 h ALA 129 Ca 0.38 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3ic2 h ALA 129 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ic2 h ALA 129 CO -0.22 -0.13 -0.16 1.88 0.00 0.00 0.00 179.25 180.62 3ic2 h TYR 130 N 0.44 0.83 -0.66 0.00 0.05 0.12 -2.63 116.97 115.11 3ic2 h TYR 130 Ca 0.13 -0.17 0.07 0.00 0.05 0.00 0.00 58.73 58.81 3ic2 h TYR 130 Cb -0.03 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 3ic2 h TYR 130 CO -0.06 0.86 0.44 1.96 -1.05 0.00 0.00 178.16 180.30 3ic2 h GLN 131 N 0.67 0.61 -0.07 4.88 1.08 -0.01 -0.54 115.11 121.72 3ic2 h GLN 131 Ca 0.10 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3ic2 h GLN 131 Cb 0.64 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3ic2 h GLN 131 CO 0.05 0.40 0.02 0.87 -0.95 0.00 0.00 178.83 179.21 3ic2 h LYS 132 N 0.63 0.11 0.56 1.46 1.57 -1.26 -1.20 116.57 118.43 3ic2 h LYS 132 Ca 0.29 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3ic2 h LYS 132 Cb 0.34 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3ic2 h LYS 132 CO -0.09 0.30 -0.27 0.28 -0.57 0.00 0.00 179.45 179.09 3ic2 h VAL 133 N -0.10 0.45 -0.02 0.50 2.07 -1.09 -1.06 116.25 117.00 3ic2 h VAL 133 Ca 0.02 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3ic2 h VAL 133 Cb 0.24 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3ic2 h VAL 133 CO 0.00 0.00 0.02 -0.37 0.02 0.00 0.00 177.57 177.24 3ic2 h VAL 134 N -0.77 0.80 -0.19 2.57 -1.51 -1.17 0.12 116.25 116.10 3ic2 h VAL 134 Ca -0.08 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.26 3ic2 h VAL 134 Cb 0.59 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 3ic2 h VAL 134 CO 0.13 0.00 -0.46 0.00 -1.23 0.00 0.00 177.57 176.01 3ic2 h ALA 135 N 1.99 0.86 -0.13 5.19 0.00 -0.79 -1.93 119.26 124.44 3ic2 h ALA 135 Ca 0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3ic2 h ALA 135 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ic2 h ALA 135 CO -0.00 0.65 -0.20 0.78 0.00 0.00 0.00 179.25 180.48 3ic2 h GLY 136 N 1.13 0.40 0.82 0.00 0.00 0.48 -1.71 103.07 104.20 3ic2 h GLY 136 Ca 0.02 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.93 3ic2 h GLY 136 CO 0.08 0.41 0.18 -2.08 0.00 0.00 0.00 176.54 175.13 3ic2 h VAL 137 N -0.03 0.98 -0.11 4.60 2.07 -1.09 -0.30 116.25 122.37 3ic2 h VAL 137 Ca 0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3ic2 h VAL 137 Cb 0.76 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ic2 h VAL 137 CO 0.05 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.75 3ic2 h ALA 138 N 1.19 0.13 0.00 1.67 0.00 -1.36 0.07 119.26 120.96 3ic2 h ALA 138 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ic2 h ALA 138 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ic2 h ALA 138 CO -0.11 -0.40 -0.23 -0.91 0.00 0.00 0.00 179.25 177.60 3ic2 h ASN 139 N 0.11 0.00 -0.09 0.00 4.21 -1.07 0.53 115.58 119.27 3ic2 h ASN 139 Ca 0.04 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.35 3ic2 h ASN 139 Cb 0.01 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.23 3ic2 h ASN 139 CO -0.04 0.23 -0.76 0.00 -1.29 0.00 0.00 177.43 175.57 3ic2 h ALA 140 N 1.77 0.21 -0.03 -0.83 0.00 -0.60 -2.92 119.26 116.86 3ic2 h ALA 140 Ca -0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 3ic2 h ALA 140 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ic2 h ALA 140 CO 0.03 0.57 -0.49 -0.07 0.00 0.00 0.00 179.25 179.29 3ic2 h LEU 141 N 0.33 0.08 -1.27 0.00 3.38 -0.54 -2.44 115.31 114.85 3ic2 h LEU 141 Ca -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ic2 h LEU 141 Cb 1.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ic2 h LEU 141 CO 0.15 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3ic2 n ALA 142 N -2.45 2.64 0.28 1.53 0.00 0.14 -4.13 120.51 118.51 3ic2 n ALA 142 Ca -0.02 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.04 3ic2 n ALA 142 Cb 0.51 -1.00 0.83 0.00 0.00 0.00 0.00 19.45 19.79 3ic2 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ic2 h HIS 143 N 1.48 0.00 -0.19 0.00 6.17 -1.24 1.64 115.15 123.00 3ic2 h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3ic2 h HIS 143 Cb 0.57 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.50 3ic2 h HIS 143 CO 0.24 0.06 0.00 1.63 0.71 0.00 0.00 177.93 180.57 3ic2 n LYS 144 N -3.77 2.17 0.00 5.26 4.76 -1.26 -3.82 118.16 121.50 3ic2 n LYS 144 Ca -0.02 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.67 3ic2 n LYS 144 Cb 0.15 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3ic2 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3ic2 n TYR 145 N 1.01 0.00 -1.25 2.13 4.01 0.11 -4.84 117.16 118.34 3ic2 n TYR 145 Ca 0.17 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3ic2 n TYR 145 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3ic2 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12