#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i03 h LEU 2 N 0.00 0.00 -0.14 1.04 3.38 -1.22 -0.90 115.31 117.46 3i03 h LEU 2 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i03 h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i03 h LEU 2 CO 0.00 0.02 0.00 -0.26 0.09 0.00 0.00 178.44 178.29 3i03 h PHE 3 N 0.00 0.27 -0.51 1.13 0.05 -1.94 0.11 116.94 116.06 3i03 h PHE 3 Ca -0.00 -0.05 -0.12 0.00 3.82 0.00 0.00 57.97 61.62 3i03 h PHE 3 Cb 0.07 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 3i03 h PHE 3 CO 0.00 0.47 -0.15 0.93 -0.18 0.00 0.00 178.31 179.38 3i03 h GLU 4 N -0.00 0.99 -0.17 1.51 3.07 -1.65 -0.88 114.58 117.45 3i03 h GLU 4 Ca 0.04 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 3i03 h GLU 4 Cb 0.36 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3i03 h GLU 4 CO 0.01 1.07 0.09 1.25 -1.40 0.00 0.00 179.01 180.03 3i03 h LEU 5 N 0.86 0.21 -0.88 1.33 5.85 -1.15 0.13 115.31 121.65 3i03 h LEU 5 Ca 0.12 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3i03 h LEU 5 Cb 0.72 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3i03 h LEU 5 CO 0.06 0.23 0.48 1.23 -0.34 0.00 0.00 178.44 180.10 3i03 h GLY 6 N 0.18 1.32 0.98 3.75 0.00 -0.66 0.09 103.07 108.73 3i03 h GLY 6 Ca 0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3i03 h GLY 6 CO -0.01 0.58 0.14 1.70 0.00 0.00 0.00 176.54 178.95 3i03 h LYS 7 N 1.24 0.79 -0.74 4.80 3.64 -0.67 -0.26 116.57 125.38 3i03 h LYS 7 Ca 0.31 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3i03 h LYS 7 Cb 0.04 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3i03 h LYS 7 CO -0.05 0.75 0.43 0.52 -2.27 0.00 0.00 179.45 178.83 3i03 h MET 8 N 0.69 1.02 -0.75 1.90 2.86 -0.28 0.20 114.93 120.57 3i03 h MET 8 Ca 0.16 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3i03 h MET 8 Cb 0.30 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3i03 h MET 8 CO -0.00 0.74 0.25 0.82 1.06 0.00 0.00 176.91 179.78 3i03 h ILE 9 N 1.01 1.26 -0.41 -1.22 2.04 -0.60 -0.70 117.51 118.89 3i03 h ILE 9 Ca 0.26 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3i03 h ILE 9 Cb -0.00 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3i03 h ILE 9 CO -0.05 0.35 0.06 0.25 0.00 0.00 0.00 178.15 178.77 3i03 h LEU 10 N 1.11 0.66 -0.59 1.44 5.85 -0.40 0.10 115.31 123.49 3i03 h LEU 10 Ca 0.25 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3i03 h LEU 10 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3i03 h LEU 10 CO -0.01 0.76 0.27 1.56 -0.34 0.00 0.00 178.44 180.68 3i03 h GLN 11 N 0.54 0.86 0.01 1.25 4.20 -0.20 0.31 115.11 122.08 3i03 h GLN 11 Ca 0.13 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3i03 h GLN 11 Cb 0.38 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3i03 h GLN 11 CO 0.01 0.70 -0.21 0.93 -0.67 0.00 0.00 178.83 179.60 3i03 h GLU 12 N 0.81 0.12 0.00 1.46 4.39 -1.08 -3.38 114.58 116.89 3i03 h GLU 12 Ca 0.20 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 3i03 h GLU 12 Cb 0.14 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3i03 h GLU 12 CO -0.02 0.94 -1.51 0.25 -1.16 0.00 0.00 179.01 177.50 3i03 n THR 13 N -4.53 1.05 -0.93 1.13 -2.24 0.35 -4.83 114.28 104.28 3i03 n THR 13 Ca -0.10 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3i03 n THR 13 Cb 0.50 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3i03 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i03 n GLY 14 N 1.39 0.85 3.86 3.38 0.00 0.11 -5.01 105.19 109.77 3i03 n GLY 14 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3i03 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i03 s LYS 15 N -0.14 3.84 -0.19 1.61 -0.14 -1.26 -5.02 119.74 118.44 3i03 s LYS 15 Ca 0.00 0.29 -0.32 0.00 -1.36 0.00 0.00 55.97 54.59 3i03 s LYS 15 Cb 0.00 -2.99 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 3i03 s LYS 15 CO 0.00 0.54 2.11 -1.71 -0.76 0.00 0.00 175.35 175.53 3i03 n ASN 16 N 0.94 3.14 -0.16 2.83 2.85 -1.26 -4.12 115.26 119.48 3i03 n ASN 16 Ca -0.08 0.52 -0.07 0.00 -0.11 0.00 0.00 54.58 54.84 3i03 n ASN 16 Cb 0.52 -1.44 0.01 0.00 1.24 0.00 0.00 39.78 40.12 3i03 n ASN 16 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i03 h PRO 17 N 12.51 0.64 -0.59 1.20 0.11 -1.92 -0.52 132.00 143.42 3i03 h PRO 17 Ca -0.41 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3i03 h PRO 17 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i03 h PRO 17 CO 0.97 0.45 0.18 0.00 -0.21 0.00 0.00 178.00 179.39 3i03 h ALA 18 N 1.15 0.78 -0.10 -0.75 0.00 -1.92 0.35 119.26 118.76 3i03 h ALA 18 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i03 h ALA 18 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3i03 h ALA 18 CO -0.03 0.45 -0.05 -0.22 0.00 0.00 0.00 179.25 179.40 3i03 h LYS 19 N 0.85 0.21 0.00 0.00 3.64 -1.93 -0.30 116.57 119.03 3i03 h LYS 19 Ca 0.19 -0.09 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 3i03 h LYS 19 Cb 0.30 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3i03 h LYS 19 CO -0.00 0.56 -1.15 0.77 -2.27 0.00 0.00 179.45 177.36 3i03 h SER 20 N -0.14 0.01 0.00 4.20 0.02 -1.00 -3.40 113.55 113.23 3i03 h SER 20 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3i03 h SER 20 Cb 0.49 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3i03 h SER 20 CO 0.01 1.01 0.00 -1.22 -1.14 0.00 0.00 176.83 175.49 3i03 n TYR 21 N -3.29 0.00 0.30 3.45 4.01 0.12 -4.54 117.16 117.20 3i03 n TYR 21 Ca -0.04 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.88 3i03 n TYR 21 Cb 0.96 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 40.71 3i03 n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3i03 h GLY 22 N 0.00 0.00 -1.26 2.72 0.00 -0.41 -3.25 103.07 100.87 3i03 h GLY 22 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3i03 h GLY 22 CO 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 3i03 n ALA 23 N -2.03 2.14 -2.40 3.60 0.00 -1.21 -4.01 120.51 116.60 3i03 n ALA 23 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 3i03 n ALA 23 Cb 0.26 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 3i03 n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i03 s TYR 24 N 0.00 3.59 0.00 0.00 6.14 -0.72 -3.49 117.35 122.87 3i03 s TYR 24 Ca 0.03 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.30 3i03 s TYR 24 Cb 0.04 -3.25 0.00 0.00 0.42 0.00 0.00 41.96 39.17 3i03 s TYR 24 CO -0.02 -0.56 0.00 0.41 0.64 0.00 0.00 175.55 176.03 3i03 n GLY 25 N 2.73 1.79 0.20 8.97 0.00 0.12 -1.43 105.19 117.57 3i03 n GLY 25 Ca 0.06 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3i03 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i03 n ASN 27 N -0.88 2.69 -4.60 0.00 3.02 -1.23 -3.28 115.26 110.97 3i03 n ASN 27 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 3i03 n ASN 27 Cb 0.38 0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 40.00 3i03 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i03 n GLY 29 N 4.32 0.16 3.74 0.00 0.00 -1.23 -1.76 105.19 110.42 3i03 n GLY 29 Ca 0.04 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3i03 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i03 s VAL 30 N -0.23 2.56 0.00 1.61 -7.23 -1.26 -4.85 120.40 111.01 3i03 s VAL 30 Ca 0.00 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 3i03 s VAL 30 Cb 0.00 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.17 3i03 s VAL 30 CO 0.00 -0.24 0.00 0.18 -0.31 0.00 0.00 175.10 174.73 3i03 n LEU 31 N -3.80 0.00 0.00 1.32 4.77 -1.26 -4.89 117.00 113.14 3i03 n LEU 31 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i03 n LEU 31 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3i03 n LEU 31 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3i03 n GLY 32 N 0.00 2.09 4.00 -0.72 0.00 -1.26 -5.09 105.19 104.21 3i03 n GLY 32 Ca 0.00 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 3i03 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i03 s ARG 33 N 4.70 2.94 0.21 1.61 0.52 -1.26 -4.59 118.95 123.07 3i03 s ARG 33 Ca 0.00 -1.13 -0.19 0.00 -0.52 0.00 0.00 55.73 53.89 3i03 s ARG 33 Cb 0.00 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.73 3i03 s ARG 33 CO 0.00 -0.15 0.57 0.20 0.02 0.00 0.00 175.30 175.93 3i03 s GLY 34 N -4.28 -0.13 0.06 -3.53 0.00 -1.21 -4.26 107.32 93.97 3i03 s GLY 34 Ca 0.51 -0.18 -0.34 0.00 0.00 0.00 0.00 44.72 44.72 3i03 s GLY 34 CO 0.32 -0.20 1.74 1.17 0.00 0.00 0.00 173.10 176.14 3i03 n LYS 35 N -0.37 2.27 -1.89 2.90 4.81 0.34 -4.68 118.16 121.54 3i03 n LYS 35 Ca -0.09 0.83 -0.39 0.00 -0.87 0.00 0.00 58.31 57.78 3i03 n LYS 35 Cb 0.62 -2.65 0.01 0.00 0.02 0.00 0.00 35.03 33.04 3i03 n LYS 35 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3i03 s PRO 36 N 2.47 3.64 0.12 1.64 0.02 -1.26 -4.66 135.00 136.97 3i03 s PRO 36 Ca 0.85 2.27 0.11 0.00 0.02 0.00 0.00 61.00 64.24 3i03 s PRO 36 Cb -0.65 -2.58 -0.15 0.00 0.02 0.00 0.00 34.50 31.14 3i03 s PRO 36 CO 0.43 -0.80 1.16 0.87 -0.33 0.00 0.00 177.00 178.33 3i03 h LYS 37 N 2.21 0.00 0.00 5.54 1.79 -1.90 -3.48 116.57 120.73 3i03 h LYS 37 Ca -0.50 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3i03 h LYS 37 Cb 1.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3i03 h LYS 37 CO 0.61 0.73 0.07 -0.40 -1.08 0.00 0.00 179.45 179.37 3i03 n ASP 38 N -3.22 -0.23 -0.19 0.86 5.75 -1.26 -5.01 116.55 113.25 3i03 n ASP 38 Ca -0.03 -1.13 -0.09 0.00 -0.01 0.00 0.00 54.79 53.52 3i03 n ASP 38 Cb 0.91 0.38 0.01 0.00 -1.03 0.00 0.00 41.12 41.39 3i03 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i03 h ALA 39 N 2.00 0.71 -0.28 2.12 0.00 -1.93 0.63 119.26 122.50 3i03 h ALA 39 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3i03 h ALA 39 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i03 h ALA 39 CO 0.05 0.46 0.12 1.15 0.00 0.00 0.00 179.25 181.03 3i03 h THR 40 N 0.77 0.96 -0.83 0.00 2.02 -1.91 -0.05 112.91 113.87 3i03 h THR 40 Ca 0.16 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3i03 h THR 40 Cb 0.43 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3i03 h THR 40 CO 0.01 0.05 0.44 -0.78 0.37 0.00 0.00 175.52 175.61 3i03 h ASP 41 N 0.27 1.05 -0.10 4.18 3.58 -1.83 -1.42 116.42 122.15 3i03 h ASP 41 Ca 0.12 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 3i03 h ASP 41 Cb 0.06 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3i03 h ASP 41 CO -0.10 0.85 -0.06 -0.09 -2.88 0.00 0.00 179.24 176.96 3i03 h ARG 42 N 1.17 0.37 -0.65 0.28 2.43 -0.10 -0.14 114.38 117.74 3i03 h ARG 42 Ca 0.29 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 3i03 h ARG 42 Cb 0.05 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 3i03 h ARG 42 CO -0.04 0.45 0.32 0.00 -1.51 0.00 0.00 179.97 179.18 3i03 h TYR 45 N 0.11 -0.18 -0.94 0.00 3.20 -0.38 -0.10 116.97 118.68 3i03 h TYR 45 Ca -0.01 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.90 3i03 h TYR 45 Cb 1.11 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 3i03 h TYR 45 CO 0.01 0.01 0.61 0.28 -1.64 0.00 0.00 178.16 177.43 3i03 h VAL 46 N -0.33 1.13 -0.22 1.81 2.07 -0.66 0.25 116.25 120.30 3i03 h VAL 46 Ca -0.02 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3i03 h VAL 46 Cb 0.27 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3i03 h VAL 46 CO 0.03 0.21 -0.07 -0.74 0.02 0.00 0.00 177.57 177.02 3i03 h HIS 47 N 1.14 0.50 -0.02 1.57 -0.00 -0.76 0.18 115.15 117.76 3i03 h HIS 47 Ca 0.38 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 3i03 h HIS 47 Cb 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 3i03 h HIS 47 CO -0.00 0.69 -0.24 0.87 -0.00 0.00 0.00 177.93 179.25 3i03 h LYS 48 N 0.16 0.03 -0.44 5.26 1.57 -0.04 -1.32 116.57 121.79 3i03 h LYS 48 Ca 0.05 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3i03 h LYS 48 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3i03 h LYS 48 CO 0.02 0.27 -0.14 0.00 -0.57 0.00 0.00 179.45 179.04 3i03 h TYR 51 N 1.07 0.00 0.00 0.00 -1.99 -1.06 -2.58 116.97 112.40 3i03 h TYR 51 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 3i03 h TYR 51 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3i03 h TYR 51 CO 0.02 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.05 3i03 h LYS 52 N 0.00 0.00 0.00 4.88 1.79 -1.20 -2.19 116.57 119.85 3i03 h LYS 52 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i03 h LYS 52 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3i03 h LYS 52 CO 0.00 0.00 -0.07 1.57 -1.08 0.00 0.00 179.45 179.87 3i03 h LYS 53 N 0.00 0.00 -6.37 3.15 2.10 -1.62 -3.46 116.57 110.37 3i03 h LYS 53 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 3i03 h LYS 53 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3i03 h LYS 53 CO 0.00 0.00 0.91 -0.51 -2.00 0.00 0.00 179.45 177.85 3i03 s LEU 54 N -4.81 4.32 -0.12 7.07 1.02 -0.83 -5.01 118.68 120.33 3i03 s LEU 54 Ca 0.09 2.21 0.03 0.00 0.02 0.00 0.00 54.13 56.48 3i03 s LEU 54 Cb 0.11 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.77 3i03 s LEU 54 CO 0.62 -0.79 -0.22 -0.89 0.02 0.00 0.00 176.35 175.09 3i03 s THR 55 N 2.71 2.00 0.00 5.49 2.01 -1.26 -4.78 115.64 121.80 3i03 s THR 55 Ca 0.67 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3i03 s THR 55 Cb -0.33 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.42 3i03 s THR 55 CO 0.28 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 3i03 n GLY 56 N 3.87 1.26 3.17 4.40 0.00 -1.26 -4.73 105.19 111.90 3i03 n GLY 56 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3i03 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i03 s ASP 58 N -1.68 5.98 0.47 0.00 -1.08 -1.26 -4.96 116.67 114.15 3i03 s ASP 58 Ca -0.02 -0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.00 3i03 s ASP 58 Cb -0.10 -2.12 1.19 0.00 -1.46 0.00 0.00 42.92 40.43 3i03 s ASP 58 CO 0.02 -0.15 1.98 1.55 0.52 0.00 0.00 175.17 179.10 3i03 h PRO 59 N 8.42 0.00 0.16 4.34 0.13 -1.96 -1.44 132.00 141.65 3i03 h PRO 59 Ca -0.33 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.53 3i03 h PRO 59 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 3i03 h PRO 59 CO 0.59 0.19 -1.27 0.87 -0.23 0.00 0.00 178.00 178.16 3i03 h LYS 60 N 0.00 0.34 0.00 0.86 1.57 -1.93 -3.33 116.57 114.07 3i03 h LYS 60 Ca -0.00 -0.58 -0.35 0.00 -1.87 0.00 0.00 60.65 57.86 3i03 h LYS 60 Cb 0.46 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 3i03 h LYS 60 CO 0.02 1.28 -2.31 1.63 -0.57 0.00 0.00 179.45 179.50 3i03 n LYS 61 N -3.91 0.68 -2.79 3.15 4.76 -1.19 -1.08 118.16 117.78 3i03 n LYS 61 Ca -0.20 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 54.83 3i03 n LYS 61 Cb 0.93 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 3i03 n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i03 s ASP 62 N -5.50 6.98 0.68 4.39 1.01 -0.55 -4.70 116.67 118.99 3i03 s ASP 62 Ca -0.09 1.22 -0.13 0.00 0.71 0.00 0.00 52.55 54.26 3i03 s ASP 62 Cb 0.06 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.52 3i03 s ASP 62 CO 0.83 -0.54 1.09 -0.13 0.21 0.00 0.00 175.17 176.63 3i03 s ARG 63 N 2.76 2.75 0.22 8.23 1.81 -1.26 0.94 118.95 134.40 3i03 s ARG 63 Ca 0.40 1.25 -0.13 0.00 -1.72 0.00 0.00 55.73 55.52 3i03 s ARG 63 Cb -0.16 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.39 3i03 s ARG 63 CO 0.09 -1.27 0.45 1.52 -0.68 0.00 0.00 175.30 175.41 3i03 s TYR 64 N -2.60 0.24 -0.17 -0.53 -0.85 -1.26 -4.74 117.35 107.44 3i03 s TYR 64 Ca 0.64 -0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 56.50 3i03 s TYR 64 Cb -0.18 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 3i03 s TYR 64 CO 0.46 -0.92 0.12 -1.12 -1.52 0.00 0.00 175.55 172.57 3i03 s SER 65 N -2.97 6.16 0.14 -0.18 0.01 -1.26 -4.92 113.70 110.68 3i03 s SER 65 Ca 0.18 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.58 3i03 s SER 65 Cb -0.00 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 64.21 3i03 s SER 65 CO 0.04 0.26 0.39 -0.72 0.41 0.00 0.00 173.24 173.63 3i03 s TYR 66 N -0.15 -0.11 0.19 2.43 1.13 -1.26 -0.36 117.35 119.22 3i03 s TYR 66 Ca 0.10 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 3i03 s TYR 66 Cb -0.12 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 3i03 s TYR 66 CO 0.00 -0.72 0.07 -1.54 -2.51 0.00 0.00 175.55 170.86 3i03 s SER 67 N -2.83 0.75 -0.29 -0.18 1.04 0.24 -4.91 113.70 107.51 3i03 s SER 67 Ca 0.05 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.12 3i03 s SER 67 Cb 0.02 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3i03 s SER 67 CO -0.10 -0.72 0.08 0.86 0.98 0.00 0.00 173.24 174.35 3i03 s TRP 68 N -3.89 3.15 -0.05 5.02 -0.11 -1.26 -0.11 118.94 121.68 3i03 s TRP 68 Ca 0.32 -0.96 0.00 0.00 1.22 0.00 0.00 56.10 56.68 3i03 s TRP 68 Cb 0.07 -2.26 0.02 0.00 -1.50 0.00 0.00 33.47 29.81 3i03 s TRP 68 CO 0.08 -0.57 -0.03 0.15 -4.62 0.00 0.00 176.95 171.96 3i03 s LYS 69 N 1.50 0.70 -1.53 5.86 1.02 -0.17 -4.77 119.74 122.34 3i03 s LYS 69 Ca 0.03 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.85 3i03 s LYS 69 Cb -0.17 -0.80 0.08 0.00 -0.52 0.00 0.00 37.83 36.42 3i03 s LYS 69 CO 0.03 -0.13 0.92 -0.25 -0.92 0.00 0.00 175.35 175.00 3i03 n ASP 70 N 4.26 -4.17 -4.06 2.83 9.92 -1.26 -0.66 116.55 123.40 3i03 n ASP 70 Ca -0.22 -0.82 -0.32 0.00 -0.53 0.00 0.00 54.79 52.91 3i03 n ASP 70 Cb 0.51 -3.75 -0.01 0.00 -0.64 0.00 0.00 41.12 37.23 3i03 n ASP 70 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3i03 n LYS 71 N -4.61 -4.00 -4.30 -1.24 5.02 -1.26 -4.96 118.16 102.81 3i03 n LYS 71 Ca 0.00 0.46 -0.18 0.00 -2.02 0.00 0.00 58.31 56.57 3i03 n LYS 71 Cb 0.54 -5.13 -0.14 0.00 -0.02 0.00 0.00 35.03 30.29 3i03 n LYS 71 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i03 s THR 72 N -3.43 0.72 -0.06 -0.18 2.01 0.16 -5.06 115.64 109.81 3i03 s THR 72 Ca 0.56 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3i03 s THR 72 Cb -0.30 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 3i03 s THR 72 CO 0.89 0.08 1.08 -0.63 -0.69 0.00 0.00 174.62 175.35 3i03 s ILE 73 N -0.45 4.57 -0.27 1.82 1.01 -1.26 -1.00 121.20 125.61 3i03 s ILE 73 Ca 0.01 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.54 3i03 s ILE 73 Cb -0.05 -4.19 0.07 0.00 0.01 0.00 0.00 42.46 38.30 3i03 s ILE 73 CO 0.00 0.04 -0.01 -0.69 0.00 0.00 0.00 174.94 174.27 3i03 s VAL 74 N 1.82 1.68 0.25 2.92 1.01 0.84 -4.96 120.40 123.95 3i03 s VAL 74 Ca 0.52 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 3i03 s VAL 74 Cb -0.22 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 3i03 s VAL 74 CO 0.22 -0.29 1.30 0.00 0.00 0.00 0.00 175.10 176.33 3i03 n GLY 76 N 1.78 0.09 2.83 0.00 0.00 0.52 -4.92 105.19 105.50 3i03 n GLY 76 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3i03 n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i03 n GLU 77 N 0.00 0.00 0.07 1.61 4.07 -1.26 -4.94 120.64 120.20 3i03 n GLU 77 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3i03 n GLU 77 Cb 0.00 -0.86 0.22 0.00 -0.06 0.00 0.00 31.44 30.74 3i03 n GLU 77 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3i03 h ASN 78 N 0.32 0.00 -0.09 4.31 2.35 -1.98 -3.39 115.58 117.10 3i03 h ASN 78 Ca -0.31 -0.16 -0.75 0.00 -0.55 0.00 0.00 56.30 54.54 3i03 h ASN 78 Cb 1.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.57 3i03 h ASN 78 CO 0.41 0.08 1.35 -3.20 -1.65 0.00 0.00 177.43 174.42 3i03 n ASN 79 N -2.18 0.84 -0.21 5.81 2.85 -1.26 -4.76 115.26 116.35 3i03 n ASN 79 Ca 0.04 0.63 0.02 0.00 -0.11 0.00 0.00 54.58 55.15 3i03 n ASN 79 Cb 0.44 -0.93 0.12 0.00 1.24 0.00 0.00 39.78 40.65 3i03 n ASN 79 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i03 h PRO 80 N 9.48 0.19 -0.15 1.20 0.11 -1.99 0.16 132.00 141.00 3i03 h PRO 80 Ca -0.11 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3i03 h PRO 80 Cb 1.41 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3i03 h PRO 80 CO 1.10 0.13 -0.02 0.00 -0.21 0.00 0.00 178.00 179.00 3i03 h LEU 82 N -0.02 0.78 -0.32 0.00 4.07 -1.78 0.11 115.31 118.14 3i03 h LEU 82 Ca 0.04 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 3i03 h LEU 82 Cb 0.43 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3i03 h LEU 82 CO 0.01 0.78 -0.04 0.50 -1.08 0.00 0.00 178.44 178.61 3i03 h LYS 83 N 0.80 0.60 -0.61 1.13 1.63 -0.59 0.13 116.57 119.65 3i03 h LYS 83 Ca 0.17 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3i03 h LYS 83 Cb 0.32 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 3i03 h LYS 83 CO 0.00 0.75 0.37 0.93 -3.45 0.00 0.00 179.45 178.06 3i03 h GLU 84 N 0.38 0.72 0.15 1.90 5.08 -0.66 0.27 114.58 122.42 3i03 h GLU 84 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i03 h GLU 84 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3i03 h GLU 84 CO 0.02 0.47 -0.18 1.25 -1.00 0.00 0.00 179.01 179.58 3i03 h LEU 85 N 0.74 -0.49 -0.70 1.33 5.85 -0.63 0.45 115.31 121.85 3i03 h LEU 85 Ca 0.24 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.12 3i03 h LEU 85 Cb 0.02 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3i03 h LEU 85 CO -0.10 -0.27 0.32 0.00 -0.34 0.00 0.00 178.44 178.06 3i03 h GLU 87 N 0.54 0.37 -0.53 0.00 4.39 -0.54 0.13 114.58 118.94 3i03 h GLU 87 Ca 0.35 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3i03 h GLU 87 Cb 0.41 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3i03 h GLU 87 CO -0.29 0.66 0.28 0.00 -1.16 0.00 0.00 179.01 178.50 3i03 h ASP 89 N 0.71 0.83 -0.29 0.00 3.32 -0.69 -1.64 116.42 118.66 3i03 h ASP 89 Ca 0.19 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.86 3i03 h ASP 89 Cb 0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3i03 h ASP 89 CO -0.03 1.04 0.16 0.50 -1.72 0.00 0.00 179.24 179.19 3i03 h LYS 90 N 0.63 0.32 -0.86 3.56 3.64 -0.61 -1.05 116.57 122.20 3i03 h LYS 90 Ca 0.09 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3i03 h LYS 90 Cb 0.71 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 3i03 h LYS 90 CO 0.05 0.21 0.57 0.00 -2.27 0.00 0.00 179.45 178.01 3i03 h ALA 91 N 1.14 1.11 -0.14 5.00 0.00 -0.73 -0.82 119.26 124.82 3i03 h ALA 91 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3i03 h ALA 91 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i03 h ALA 91 CO -0.07 0.47 -0.52 -0.24 0.00 0.00 0.00 179.25 178.89 3i03 h VAL 92 N 1.14 1.34 -0.35 0.00 3.04 -0.89 0.59 116.25 121.12 3i03 h VAL 92 Ca 0.32 -1.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 3i03 h VAL 92 Cb -0.09 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3i03 h VAL 92 CO -0.08 0.54 0.12 0.00 -1.01 0.00 0.00 177.57 177.14 3i03 h ALA 93 N 1.13 0.45 -0.45 3.17 0.00 -0.72 0.30 119.26 123.13 3i03 h ALA 93 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i03 h ALA 93 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3i03 h ALA 93 CO 0.09 0.07 0.25 0.82 0.00 0.00 0.00 179.25 180.48 3i03 h ILE 94 N 0.41 1.16 -0.64 0.00 2.04 -1.02 -1.48 117.51 117.98 3i03 h ILE 94 Ca 0.11 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3i03 h ILE 94 Cb 0.22 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3i03 h ILE 94 CO -0.01 0.17 0.23 0.00 0.00 0.00 0.00 178.15 178.54 3i03 h LEU 96 N 0.91 0.97 -0.20 0.00 3.38 -0.22 -1.84 115.31 118.31 3i03 h LEU 96 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i03 h LEU 96 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i03 h LEU 96 CO -0.01 0.97 0.10 -0.09 0.09 0.00 0.00 178.44 179.50 3i03 h ARG 97 N 0.96 0.28 0.00 1.13 2.43 -0.39 -2.09 114.38 116.70 3i03 h ARG 97 Ca 0.19 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i03 h ARG 97 Cb 0.41 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3i03 h ARG 97 CO 0.01 0.28 -0.00 0.93 -1.51 0.00 0.00 179.97 179.67 3i03 h GLU 98 N 0.20 0.00 -0.28 0.20 5.08 -0.34 -1.92 114.58 117.52 3i03 h GLU 98 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i03 h GLU 98 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i03 h GLU 98 CO -0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.09 3i03 n ASN 99 N -3.46 3.25 -0.07 1.42 3.02 -0.74 -4.49 115.26 114.20 3i03 n ASN 99 Ca -0.03 -2.44 0.19 0.00 -0.03 0.00 0.00 54.58 52.27 3i03 n ASN 99 Cb 0.08 -0.35 0.63 0.00 -0.61 0.00 0.00 39.78 39.52 3i03 n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i03 h LEU 100 N 1.77 0.14 -2.67 3.41 3.38 -0.73 -1.70 115.31 118.92 3i03 h LEU 100 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i03 h LEU 100 Cb 1.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3i03 h LEU 100 CO 0.09 0.07 -0.01 1.23 0.09 0.00 0.00 178.44 179.91 3i03 h GLY 101 N 0.15 0.00 -0.15 0.83 0.00 -1.82 -1.29 103.07 100.80 3i03 h GLY 101 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3i03 h GLY 101 CO -0.04 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.20 3i03 n THR 102 N -3.39 0.80 -1.65 4.70 -2.24 -0.66 -5.02 114.28 106.82 3i03 n THR 102 Ca -0.03 -0.90 -0.48 0.00 -2.27 0.00 0.00 64.05 60.38 3i03 n THR 102 Cb 0.10 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 3i03 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i03 n TYR 103 N -0.28 2.06 -4.01 4.78 4.19 -0.49 -4.91 117.16 118.50 3i03 n TYR 103 Ca 0.01 0.37 -0.31 0.00 3.31 0.00 0.00 57.90 61.29 3i03 n TYR 103 Cb 0.22 -2.48 -0.16 0.00 0.49 0.00 0.00 39.34 37.41 3i03 n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3i03 s ASN 104 N 0.88 3.22 0.60 2.98 3.84 -1.26 -5.00 114.94 120.20 3i03 s ASN 104 Ca 0.81 -0.78 0.30 0.00 0.21 0.00 0.00 52.86 53.39 3i03 s ASN 104 Cb -0.76 -1.24 1.64 0.00 -0.55 0.00 0.00 41.25 40.35 3i03 s ASN 104 CO 0.41 -0.12 2.03 0.11 -2.79 0.00 0.00 177.10 176.75 3i03 h LYS 105 N 7.99 0.00 0.00 0.43 1.57 -1.99 -0.49 116.57 124.08 3i03 h LYS 105 Ca -0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3i03 h LYS 105 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3i03 h LYS 105 CO 0.50 0.00 -0.02 1.57 -0.57 0.00 0.00 179.45 180.92 3i03 h LYS 106 N 0.00 0.00 -0.02 3.15 2.10 -2.01 -1.37 116.57 118.43 3i03 h LYS 106 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 3i03 h LYS 106 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3i03 h LYS 106 CO -0.00 0.02 -0.19 0.66 -2.00 0.00 0.00 179.45 177.94 3i03 n TYR 107 N -3.27 0.00 -0.29 0.07 0.53 -0.19 -4.49 117.16 109.52 3i03 n TYR 107 Ca -0.02 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.94 3i03 n TYR 107 Cb 0.15 -0.04 0.23 0.00 -1.03 0.00 0.00 39.34 38.66 3i03 n TYR 107 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i03 h ARG 108 N 2.43 0.49 -0.96 -0.72 3.08 -1.35 0.37 114.38 117.72 3i03 h ARG 108 Ca 0.00 -0.03 -0.45 0.00 0.07 0.00 0.00 59.98 59.57 3i03 h ARG 108 Cb 0.65 -0.11 -0.41 0.00 0.08 0.00 0.00 29.97 30.18 3i03 h ARG 108 CO 0.00 0.32 -0.94 0.66 -1.07 0.00 0.00 179.97 178.94 3i03 n TYR 109 N -4.96 2.27 -1.62 3.04 4.02 -1.25 -2.69 117.16 115.96 3i03 n TYR 109 Ca 0.18 -2.59 -0.44 0.00 -0.01 0.00 0.00 57.90 55.03 3i03 n TYR 109 Cb 0.49 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 3i03 n TYR 109 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3i03 n HIS 110 N -0.48 1.60 -2.14 -0.72 -0.00 -0.74 -4.81 115.22 107.93 3i03 n HIS 110 Ca 0.27 0.64 -0.35 0.00 0.46 0.00 0.00 57.72 58.75 3i03 n HIS 110 Cb 0.81 -2.31 -0.04 0.00 -0.12 0.00 0.00 29.99 28.33 3i03 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3i03 s LEU 111 N 0.06 3.25 0.55 0.27 1.43 -1.26 -4.82 118.68 118.15 3i03 s LEU 111 Ca 0.59 -0.24 0.27 0.00 -1.03 0.00 0.00 54.13 53.72 3i03 s LEU 111 Cb -0.67 -2.55 1.61 0.00 0.03 0.00 0.00 46.19 44.61 3i03 s LEU 111 CO 0.59 -2.38 2.16 0.11 0.23 0.00 0.00 176.35 177.06 3i03 h LYS 112 N 12.75 0.00 0.00 1.70 1.57 -1.87 -1.20 116.57 129.52 3i03 h LYS 112 Ca -0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3i03 h LYS 112 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3i03 h LYS 112 CO 1.24 0.06 -0.05 -1.35 -0.57 0.00 0.00 179.45 178.78 3i03 h PRO 113 N 0.00 0.00 -0.21 3.15 0.11 -1.99 -1.94 132.00 131.12 3i03 h PRO 113 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i03 h PRO 113 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3i03 h PRO 113 CO 0.01 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.04 3i03 n PHE 114 N -3.51 0.27 -1.91 0.65 3.72 -0.45 -4.93 117.46 111.29 3i03 n PHE 114 Ca -0.02 -0.13 -0.40 0.00 -0.05 0.00 0.00 57.45 56.85 3i03 n PHE 114 Cb 0.17 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3i03 n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i03 s LYS 116 N -2.34 4.18 0.23 0.00 1.02 -1.26 -4.88 119.74 116.69 3i03 s LYS 116 Ca 0.59 1.43 -0.32 0.00 0.02 0.00 0.00 55.97 57.69 3i03 s LYS 116 Cb -0.41 -2.48 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 3i03 s LYS 116 CO 0.53 -0.11 1.51 1.17 -0.92 0.00 0.00 175.35 177.53 3i03 n LYS 117 N -0.16 2.26 -2.29 1.68 3.00 -1.26 -0.51 118.16 120.89 3i03 n LYS 117 Ca 0.05 0.81 -0.39 0.00 -0.00 0.00 0.00 58.31 58.78 3i03 n LYS 117 Cb 0.50 -2.53 -0.03 0.00 0.00 0.00 0.00 35.03 32.98 3i03 n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i03 s ALA 118 N 0.23 3.31 0.83 3.14 0.00 -1.26 -4.21 121.76 123.80 3i03 s ALA 118 Ca 0.70 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 3i03 s ALA 118 Cb -0.61 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.21 3i03 s ALA 118 CO 0.46 -0.47 1.14 -0.51 0.00 0.00 0.00 175.76 176.38 3i03 s ASP 119 N -0.90 3.68 0.69 0.00 1.01 -1.26 -4.97 116.67 114.92 3i03 s ASP 119 Ca 0.52 2.13 -0.17 0.00 0.71 0.00 0.00 52.55 55.74 3i03 s ASP 119 Cb -0.33 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.05 3i03 s ASP 119 CO 0.43 -2.60 1.27 -2.84 0.21 0.00 0.00 175.17 171.65 3i03 s PRO 120 N -4.53 2.32 0.00 8.23 0.02 -1.26 -5.05 135.00 134.73 3i03 s PRO 120 Ca 0.67 1.99 0.09 0.00 0.02 0.00 0.00 61.00 63.77 3i03 s PRO 120 Cb -0.23 -1.83 0.53 0.00 0.02 0.00 0.00 34.50 32.99 3i03 s PRO 120 CO 0.54 -1.75 0.98 0.00 -0.33 0.00 0.00 177.00 176.43