#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3i h LEU 2 N 0.00 0.00 0.07 1.04 3.38 -1.49 -1.95 115.31 116.36 3i3i h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i3i h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i3i h LEU 2 CO 0.00 0.08 -0.03 -0.26 0.09 0.00 0.00 178.44 178.32 3i3i h PHE 3 N 0.00 -0.08 -0.36 1.13 -1.00 -1.96 0.94 116.94 115.61 3i3i h PHE 3 Ca -0.00 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3i3i h PHE 3 Cb 0.21 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 3i3i h PHE 3 CO 0.00 0.25 0.19 0.93 -1.61 0.00 0.00 178.31 178.06 3i3i h GLU 4 N -0.42 0.51 -0.85 1.51 3.07 -1.82 -1.56 114.58 115.03 3i3i h GLU 4 Ca -0.01 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3i3i h GLU 4 Cb 0.37 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 3i3i h GLU 4 CO 0.01 0.44 0.56 1.25 -1.40 0.00 0.00 179.01 179.87 3i3i h LEU 5 N 0.45 0.95 -0.36 1.33 5.85 -1.34 0.45 115.31 122.65 3i3i h LEU 5 Ca 0.13 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3i3i h LEU 5 Cb 0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3i3i h LEU 5 CO -0.02 0.68 -0.18 1.23 -0.34 0.00 0.00 178.44 179.81 3i3i h GLY 6 N 1.12 0.83 0.95 3.75 0.00 -0.69 -1.77 103.07 107.25 3i3i h GLY 6 Ca 0.32 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3i3i h GLY 6 CO -0.08 0.68 0.18 1.70 0.00 0.00 0.00 176.54 179.02 3i3i h LYS 7 N 0.55 0.63 -0.81 4.80 3.64 -0.95 -1.81 116.57 122.62 3i3i h LYS 7 Ca 0.08 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3i3i h LYS 7 Cb 0.73 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3i3i h LYS 7 CO 0.05 0.57 0.52 0.52 -2.27 0.00 0.00 179.45 178.85 3i3i h MET 8 N 0.54 1.07 -0.70 1.90 2.86 -0.58 -0.39 114.93 119.63 3i3i h MET 8 Ca 0.14 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3i3i h MET 8 Cb 0.17 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3i3i h MET 8 CO -0.01 0.72 0.17 0.82 1.06 0.00 0.00 176.91 179.67 3i3i h ILE 9 N 1.10 1.26 -0.56 -1.22 2.04 -1.17 -1.20 117.51 117.77 3i3i h ILE 9 Ca 0.29 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3i3i h ILE 9 Cb -0.11 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3i3i h ILE 9 CO -0.06 0.37 -0.00 0.25 0.00 0.00 0.00 178.15 178.71 3i3i h LEU 10 N 1.06 0.96 -0.60 1.44 5.85 -0.95 0.41 115.31 123.48 3i3i h LEU 10 Ca 0.22 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3i3i h LEU 10 Cb 0.37 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3i3i h LEU 10 CO 0.00 1.04 0.14 1.56 -0.34 0.00 0.00 178.44 180.84 3i3i h GLN 11 N 0.87 0.96 0.00 1.25 4.20 -0.68 0.15 115.11 121.86 3i3i h GLN 11 Ca 0.16 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3i3i h GLN 11 Cb 0.54 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3i3i h GLN 11 CO 0.03 0.89 -0.03 0.93 -0.67 0.00 0.00 178.83 179.98 3i3i h GLU 12 N 0.87 0.02 0.00 1.46 4.39 -1.17 -3.39 114.58 116.75 3i3i h GLU 12 Ca 0.19 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3i3i h GLU 12 Cb 0.36 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3i3i h GLU 12 CO 0.00 0.86 -1.27 0.25 -1.16 0.00 0.00 179.01 177.69 3i3i n THR 13 N -4.66 0.68 -0.89 1.13 -2.24 0.13 -4.88 114.28 103.54 3i3i n THR 13 Ca -0.10 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3i3i n THR 13 Cb 0.42 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3i3i n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3i n GLY 15 N 1.25 0.73 3.92 3.38 0.00 0.54 -5.02 105.19 110.00 3i3i n GLY 15 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3i3i n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3i s LYS 16 N -0.25 3.52 -0.17 1.61 1.02 -1.26 -5.02 119.74 119.18 3i3i s LYS 16 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 3i3i s LYS 16 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3i3i s LYS 16 CO 0.00 0.47 1.64 1.21 -0.92 0.00 0.00 175.35 177.75 3i3i s ASN 17 N -2.86 6.45 0.20 2.83 3.84 -1.26 -4.20 114.94 119.95 3i3i s ASN 17 Ca 0.38 1.82 -0.09 0.00 0.21 0.00 0.00 52.86 55.18 3i3i s ASN 17 Cb -0.12 -2.53 0.14 0.00 -0.55 0.00 0.00 41.25 38.19 3i3i s ASN 17 CO 0.28 -1.16 1.81 -0.65 -2.79 0.00 0.00 177.10 174.58 3i3i h PRO 18 N 10.43 1.06 -0.43 0.43 0.11 -1.93 -1.61 132.00 140.07 3i3i h PRO 18 Ca -0.35 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3i3i h PRO 18 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3i3i h PRO 18 CO 0.98 0.81 -0.30 0.00 -0.21 0.00 0.00 178.00 179.29 3i3i h ALA 19 N 1.19 0.65 -0.25 -0.75 0.00 -1.92 0.38 119.26 118.55 3i3i h ALA 19 Ca 0.26 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3i3i h ALA 19 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i3i h ALA 19 CO -0.04 0.68 -0.34 -0.22 0.00 0.00 0.00 179.25 179.33 3i3i h LYS 20 N 0.80 0.68 0.05 0.00 3.64 -1.92 -0.95 116.57 118.87 3i3i h LYS 20 Ca 0.08 -0.39 -0.25 0.00 -1.27 0.00 0.00 60.65 58.83 3i3i h LYS 20 Cb 0.89 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3i3i h LYS 20 CO 0.08 1.00 -1.07 0.77 -2.27 0.00 0.00 179.45 177.97 3i3i h SER 21 N 0.40 0.58 0.00 4.20 0.02 -1.26 -3.40 113.55 114.09 3i3i h SER 21 Ca 0.03 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3i3i h SER 21 Cb 0.92 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3i3i h SER 21 CO 0.08 1.33 0.00 -1.22 -1.14 0.00 0.00 176.83 175.88 3i3i n TYR 22 N -3.71 0.00 0.26 3.45 4.01 0.08 -4.59 117.16 116.66 3i3i n TYR 22 Ca -0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 3i3i n TYR 22 Cb 0.90 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.65 3i3i n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3i3i h GLY 23 N 0.00 0.00 -5.11 2.72 0.00 -0.63 -3.30 103.07 96.75 3i3i h GLY 23 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3i3i h GLY 23 CO 0.00 0.00 -1.03 0.00 0.00 0.00 0.00 176.54 175.51 3i3i n ALA 24 N -2.34 2.91 -2.71 3.60 0.00 -1.24 -4.03 120.51 116.70 3i3i n ALA 24 Ca -0.02 -2.69 -0.37 0.00 0.00 0.00 0.00 53.44 50.35 3i3i n ALA 24 Cb 0.21 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 3i3i n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i3i s TYR 25 N -2.71 3.50 0.00 0.00 6.14 -0.82 -3.50 117.35 119.96 3i3i s TYR 25 Ca 0.25 0.79 0.00 0.00 0.64 0.00 0.00 57.07 58.76 3i3i s TYR 25 Cb 0.42 -2.47 0.00 0.00 0.42 0.00 0.00 41.96 40.33 3i3i s TYR 25 CO -0.01 0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.81 3i3i n GLY 26 N 3.25 1.21 0.24 8.97 0.00 -0.13 -1.71 105.19 117.01 3i3i n GLY 26 Ca -0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.48 3i3i n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3i n ASN 28 N -0.76 1.40 -4.64 0.00 4.13 -1.24 -3.48 115.26 110.67 3i3i n ASN 28 Ca 0.08 -0.07 -0.40 0.00 1.68 0.00 0.00 54.58 55.87 3i3i n ASN 28 Cb 0.38 0.42 -0.06 0.00 -1.54 0.00 0.00 39.78 38.99 3i3i n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i3i n GLY 30 N 3.93 0.21 3.76 0.00 0.00 -1.24 -1.94 105.19 109.92 3i3i n GLY 30 Ca -0.00 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 3i3i n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3i s VAL 31 N 0.00 2.77 1.21 1.61 -7.23 -1.26 -4.77 120.40 112.74 3i3i s VAL 31 Ca 0.00 0.59 -0.15 0.00 -1.81 0.00 0.00 61.98 60.61 3i3i s VAL 31 Cb 0.00 -3.30 0.30 0.00 0.56 0.00 0.00 36.38 33.94 3i3i s VAL 31 CO 0.00 -0.00 1.01 -0.76 -0.31 0.00 0.00 175.10 175.04 3i3i s LEU 32 N -3.15 0.45 0.10 1.32 1.43 -1.26 -4.94 118.68 112.63 3i3i s LEU 32 Ca 0.66 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3i3i s LEU 32 Cb -0.33 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3i3i s LEU 32 CO 0.39 -4.37 0.00 0.61 0.23 0.00 0.00 176.35 173.21 3i3i n GLY 33 N 0.66 -2.88 3.92 -3.19 0.00 -1.26 -5.05 105.19 97.39 3i3i n GLY 33 Ca 0.05 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3i3i n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3i s ARG 34 N -3.72 2.84 0.29 1.61 0.52 -1.26 -4.63 118.95 114.61 3i3i s ARG 34 Ca 0.00 -1.23 -0.19 0.00 -0.52 0.00 0.00 55.73 53.79 3i3i s ARG 34 Cb 0.00 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.88 3i3i s ARG 34 CO 0.00 0.00 0.71 0.20 0.02 0.00 0.00 175.30 176.23 3i3i s GLY 35 N -4.12 0.05 0.27 -3.53 0.00 -1.23 -4.23 107.32 94.54 3i3i s GLY 35 Ca 0.45 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 3i3i s GLY 35 CO 0.29 -0.18 1.60 1.25 0.00 0.00 0.00 173.10 176.06 3i3i s LYS 36 N -3.67 4.14 0.48 2.90 2.20 -0.16 -4.71 119.74 120.92 3i3i s LYS 36 Ca 0.13 2.55 -0.22 0.00 -0.36 0.00 0.00 55.97 58.07 3i3i s LYS 36 Cb -0.05 -3.04 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 3i3i s LYS 36 CO 0.08 -0.63 1.12 -2.14 -0.36 0.00 0.00 175.35 173.42 3i3i s PRO 37 N -0.20 3.69 0.13 4.03 0.02 -1.26 -4.69 135.00 136.72 3i3i s PRO 37 Ca 0.65 1.63 0.16 0.00 0.02 0.00 0.00 61.00 63.45 3i3i s PRO 37 Cb -0.47 -2.25 -0.08 0.00 0.02 0.00 0.00 34.50 31.72 3i3i s PRO 37 CO 0.45 -0.58 1.05 0.87 -0.33 0.00 0.00 177.00 178.46 3i3i h LYS 38 N 1.76 0.00 0.00 5.54 1.79 -1.90 -3.48 116.57 120.27 3i3i h LYS 38 Ca -0.49 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.05 3i3i h LYS 38 Cb 1.24 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 3i3i h LYS 38 CO 0.59 0.40 0.24 -0.40 -1.08 0.00 0.00 179.45 179.21 3i3i n ASP 39 N -3.03 -0.56 -0.19 0.86 5.75 -1.26 -5.02 116.55 113.10 3i3i n ASP 39 Ca -0.05 -1.25 -0.08 0.00 -0.01 0.00 0.00 54.79 53.39 3i3i n ASP 39 Cb 0.81 0.90 0.02 0.00 -1.03 0.00 0.00 41.12 41.82 3i3i n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3i h ALA 40 N 2.00 0.69 -0.46 2.12 0.00 -1.94 0.29 119.26 121.96 3i3i h ALA 40 Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3i3i h ALA 40 Cb 0.42 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3i3i h ALA 40 CO 0.12 0.29 0.17 1.15 0.00 0.00 0.00 179.25 180.99 3i3i h THR 41 N 0.71 0.87 -0.50 0.00 2.02 -1.92 -1.34 112.91 112.75 3i3i h THR 41 Ca 0.18 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 3i3i h THR 41 Cb 0.19 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3i3i h THR 41 CO -0.02 0.06 0.09 -0.78 0.37 0.00 0.00 175.52 175.25 3i3i h ASP 42 N 0.35 0.73 0.57 4.18 3.58 -1.79 -1.56 116.42 122.48 3i3i h ASP 42 Ca 0.21 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 3i3i h ASP 42 Cb 0.20 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3i3i h ASP 42 CO -0.21 0.75 -0.29 -0.09 -2.88 0.00 0.00 179.24 176.51 3i3i h ARG 43 N 0.75 0.00 -0.63 0.28 2.43 -0.33 -0.32 114.38 116.56 3i3i h ARG 43 Ca 0.16 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3i3i h ARG 43 Cb 0.33 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 3i3i h ARG 43 CO 0.00 0.29 0.38 0.00 -1.51 0.00 0.00 179.97 179.14 3i3i h TYR 46 N 0.35 0.07 -0.86 0.00 3.20 -0.48 -1.33 116.97 117.92 3i3i h TYR 46 Ca 0.03 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3i3i h TYR 46 Cb 0.86 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 3i3i h TYR 46 CO 0.03 0.16 0.57 0.28 -1.64 0.00 0.00 178.16 177.55 3i3i h VAL 47 N -0.04 1.22 -0.72 1.81 2.07 -0.74 -0.99 116.25 118.86 3i3i h VAL 47 Ca 0.02 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3i3i h VAL 47 Cb 0.12 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3i3i h VAL 47 CO -0.00 0.22 0.45 -0.74 0.02 0.00 0.00 177.57 177.51 3i3i h HIS 48 N 1.17 0.93 -0.14 1.57 -0.00 -0.88 0.15 115.15 117.95 3i3i h HIS 48 Ca 0.32 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.55 3i3i h HIS 48 Cb -0.13 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 26.96 3i3i h HIS 48 CO -0.01 0.61 -0.52 0.87 -0.00 0.00 0.00 177.93 178.88 3i3i h LYS 49 N 0.98 0.40 -0.56 5.26 1.57 -0.64 -1.18 116.57 122.41 3i3i h LYS 49 Ca 0.26 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3i3i h LYS 49 Cb -0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3i3i h LYS 49 CO -0.05 0.83 0.05 0.00 -0.57 0.00 0.00 179.45 179.71 3i3i h TYR 52 N 1.06 0.00 0.00 0.00 0.05 -1.00 -2.80 116.97 114.28 3i3i h TYR 52 Ca 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.23 3i3i h TYR 52 Cb 0.32 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3i3i h TYR 52 CO -0.00 0.02 -0.00 0.87 -1.05 0.00 0.00 178.16 177.99 3i3i h LYS 53 N 0.00 0.00 0.00 4.88 1.57 -1.34 -2.37 116.57 119.31 3i3i h LYS 53 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i3i h LYS 53 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3i3i h LYS 53 CO 0.00 0.00 -0.02 0.36 -0.57 0.00 0.00 179.45 179.22 3i3i n LYS 57 N -3.15 0.05 -2.46 3.15 2.85 -1.06 -4.87 118.16 112.69 3i3i n LYS 57 Ca -0.02 0.04 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 3i3i n LYS 57 Cb 0.12 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 3i3i n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3i3i s LEU 58 N -3.31 4.42 -0.08 -5.58 1.43 -0.90 -5.03 118.68 109.64 3i3i s LEU 58 Ca 0.13 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 3i3i s LEU 58 Cb 0.18 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3i3i s LEU 58 CO 0.55 -0.37 -0.08 -0.89 0.23 0.00 0.00 176.35 175.78 3i3i s THR 59 N 0.52 0.96 0.00 5.49 2.01 -1.26 -4.81 115.64 118.54 3i3i s THR 59 Ca 0.55 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3i3i s THR 59 Cb -0.29 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3i3i s THR 59 CO 0.32 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 3i3i n GLY 60 N 4.39 0.57 3.11 4.40 0.00 -1.26 -4.72 105.19 111.68 3i3i n GLY 60 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3i3i n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3i s ASP 67 N -2.57 4.34 0.59 0.00 -1.08 -1.26 -5.00 116.67 111.69 3i3i s ASP 67 Ca 0.04 -0.64 0.36 0.00 -0.52 0.00 0.00 52.55 51.79 3i3i s ASP 67 Cb 0.01 -1.71 1.84 0.00 -1.46 0.00 0.00 42.92 41.60 3i3i s ASP 67 CO -0.05 -0.08 2.18 -0.65 0.52 0.00 0.00 175.17 177.09 3i3i h PRO 68 N 8.08 0.00 0.14 4.34 0.11 -1.98 -1.75 132.00 140.94 3i3i h PRO 68 Ca -0.37 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.39 3i3i h PRO 68 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i3i h PRO 68 CO 0.59 0.03 -1.87 0.87 -0.21 0.00 0.00 178.00 177.42 3i3i h LYS 69 N 0.00 0.29 0.01 1.05 1.79 -1.94 -3.36 116.57 114.41 3i3i h LYS 69 Ca -0.00 -0.50 -0.35 0.00 -2.18 0.00 0.00 60.65 57.62 3i3i h LYS 69 Cb 0.24 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 3i3i h LYS 69 CO 0.00 1.24 -2.19 1.63 -1.08 0.00 0.00 179.45 179.06 3i3i n LYS 70 N -3.58 0.67 -2.57 3.15 5.02 -1.18 -1.71 118.16 117.96 3i3i n LYS 70 Ca -0.30 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.68 3i3i n LYS 70 Cb 1.03 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.41 3i3i n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i3i s ASP 71 N -5.82 7.15 0.62 4.39 1.01 -0.66 -4.72 116.67 118.63 3i3i s ASP 71 Ca -0.11 1.70 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 3i3i s ASP 71 Cb 0.07 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3i3i s ASP 71 CO 0.81 -0.50 1.03 -0.13 0.21 0.00 0.00 175.17 176.58 3i3i s ARG 72 N 2.01 3.48 0.21 8.23 1.81 -1.26 0.59 118.95 134.01 3i3i s ARG 72 Ca 0.53 0.88 -0.14 0.00 -1.72 0.00 0.00 55.73 55.27 3i3i s ARG 72 Cb -0.22 -2.06 0.01 0.00 -0.45 0.00 0.00 34.95 32.22 3i3i s ARG 72 CO 0.21 -0.66 0.45 1.52 -0.68 0.00 0.00 175.30 176.14 3i3i s TYR 73 N -2.98 0.18 -0.15 -0.53 -0.85 -1.26 -4.79 117.35 106.96 3i3i s TYR 73 Ca 0.57 -0.53 -0.08 0.00 -0.52 0.00 0.00 57.07 56.50 3i3i s TYR 73 Cb -0.12 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3i3i s TYR 73 CO 0.49 -0.90 0.15 -1.12 -1.52 0.00 0.00 175.55 172.64 3i3i s SER 74 N -2.95 6.34 0.19 -0.18 0.01 -1.26 -4.96 113.70 110.88 3i3i s SER 74 Ca 0.16 0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.66 3i3i s SER 74 Cb 0.00 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.17 3i3i s SER 74 CO 0.02 0.32 0.47 -0.72 0.41 0.00 0.00 173.24 173.74 3i3i s TYR 75 N -0.51 -0.01 0.16 2.43 1.13 -1.26 -0.54 117.35 118.75 3i3i s TYR 75 Ca 0.13 -0.34 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 3i3i s TYR 75 Cb -0.12 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 3i3i s TYR 75 CO 0.02 -0.86 0.04 -1.54 -2.51 0.00 0.00 175.55 170.69 3i3i s SER 76 N -2.89 0.76 -0.28 -0.18 1.04 -0.28 -4.91 113.70 106.96 3i3i s SER 76 Ca 0.11 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.27 3i3i s SER 76 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3i3i s SER 76 CO -0.03 -0.66 0.06 0.86 0.98 0.00 0.00 173.24 174.45 3i3i s TRP 77 N -3.86 3.11 -0.06 5.02 -0.00 -1.26 -0.79 118.94 121.10 3i3i s TRP 77 Ca 0.25 -0.90 0.01 0.00 -0.00 0.00 0.00 56.10 55.46 3i3i s TRP 77 Cb 0.07 -2.23 0.02 0.00 -0.00 0.00 0.00 33.47 31.33 3i3i s TRP 77 CO 0.04 -0.54 -0.07 0.15 -0.00 0.00 0.00 176.95 176.53 3i3i s LYS 78 N 1.51 1.12 -1.46 5.86 1.02 -0.43 -4.79 119.74 122.57 3i3i s LYS 78 Ca 0.04 -0.19 -0.03 0.00 0.02 0.00 0.00 55.97 55.81 3i3i s LYS 78 Cb -0.16 -1.06 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 3i3i s LYS 78 CO 0.02 -0.08 0.44 -3.47 -0.92 0.00 0.00 175.35 171.34 3i3i n ASP 79 N 4.11 -0.64 -4.22 2.83 2.03 -1.26 -1.29 116.55 118.12 3i3i n ASP 79 Ca -0.22 -1.03 -0.33 0.00 0.52 0.00 0.00 54.79 53.73 3i3i n ASP 79 Cb 0.51 -2.90 -0.05 0.00 -0.72 0.00 0.00 41.12 37.96 3i3i n ASP 79 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3i3i n LYS 80 N -4.42 -2.41 -4.04 -0.67 5.02 -1.26 -4.97 118.16 105.41 3i3i n LYS 80 Ca -0.26 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 3i3i n LYS 80 Cb 0.66 -4.59 -0.14 0.00 -0.02 0.00 0.00 35.03 30.95 3i3i n LYS 80 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i3i s THR 81 N -3.69 0.27 -0.05 -0.18 2.01 -0.41 -5.09 115.64 108.50 3i3i s THR 81 Ca 0.40 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 3i3i s THR 81 Cb -0.22 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 3i3i s THR 81 CO 0.95 -0.02 0.97 -0.63 -0.69 0.00 0.00 174.62 175.19 3i3i s ILE 82 N -0.32 4.84 -0.24 1.82 1.01 -1.26 -1.32 121.20 125.73 3i3i s ILE 82 Ca -0.01 2.01 0.02 0.00 0.00 0.00 0.00 60.65 62.66 3i3i s ILE 82 Cb -0.03 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.20 3i3i s ILE 82 CO -0.00 0.10 -0.08 -0.69 0.00 0.00 0.00 174.94 174.27 3i3i s VAL 83 N 1.44 1.81 0.39 2.92 1.01 0.03 -4.98 120.40 123.02 3i3i s VAL 83 Ca 0.49 -1.40 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3i3i s VAL 83 Cb -0.20 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 3i3i s VAL 83 CO 0.23 -0.06 1.15 0.00 0.00 0.00 0.00 175.10 176.42 3i3i s GLY 85 N -1.16 1.76 0.17 0.00 0.00 0.30 -4.91 107.32 103.48 3i3i s GLY 85 Ca 0.56 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.39 3i3i s GLY 85 CO 0.38 -1.13 1.76 -2.09 0.00 0.00 0.00 173.10 172.02 3i3i h GLU 86 N -0.68 0.36 0.00 2.90 4.57 -1.95 -3.45 114.58 116.32 3i3i h GLU 86 Ca -0.36 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3i3i h GLU 86 Cb 1.26 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3i3i h GLU 86 CO 0.38 0.24 0.00 0.09 -1.18 0.00 0.00 179.01 178.54 3i3i n ASN 87 N -4.97 0.00 -4.28 1.04 3.02 -1.26 -4.54 115.26 104.26 3i3i n ASN 87 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.43 3i3i n ASN 87 Cb 0.15 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 3i3i n ASN 87 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i3i s ASN 88 N -4.00 1.20 0.22 6.41 2.20 -1.26 -4.94 114.94 114.76 3i3i s ASN 88 Ca 0.00 -1.29 -0.10 0.00 -0.94 0.00 0.00 52.86 50.53 3i3i s ASN 88 Cb 0.00 0.14 0.33 0.00 -2.00 0.00 0.00 41.25 39.72 3i3i s ASN 88 CO 0.00 -0.66 1.67 -0.65 -2.94 0.00 0.00 177.10 174.52 3i3i h PRO 90 N 2.52 0.14 -0.32 3.55 0.11 -2.00 0.59 132.00 136.60 3i3i h PRO 90 Ca -0.38 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 3i3i h PRO 90 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3i3i h PRO 90 CO 0.61 0.10 -0.01 0.00 -0.21 0.00 0.00 178.00 178.49 3i3i h LEU 92 N 0.36 0.26 -0.26 0.00 3.38 -1.83 -0.22 115.31 117.00 3i3i h LEU 92 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3i3i h LEU 92 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3i3i h LEU 92 CO 0.02 0.58 -0.08 0.50 0.09 0.00 0.00 178.44 179.55 3i3i h LYS 93 N 0.23 0.52 -0.66 1.13 1.63 -0.81 0.72 116.57 119.32 3i3i h LYS 93 Ca 0.03 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.66 3i3i h LYS 93 Cb 0.69 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 3i3i h LYS 93 CO 0.05 0.74 0.41 0.93 -3.45 0.00 0.00 179.45 178.13 3i3i h GLU 94 N 0.26 0.77 0.09 1.90 5.08 -0.94 -0.02 114.58 121.72 3i3i h GLU 94 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i3i h GLU 94 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3i3i h GLU 94 CO 0.03 0.51 -0.13 1.25 -1.00 0.00 0.00 179.01 179.67 3i3i h LEU 95 N 0.79 -0.35 -0.98 1.33 5.85 -0.94 0.16 115.31 121.16 3i3i h LEU 95 Ca 0.27 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.08 3i3i h LEU 95 Cb 0.03 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3i3i h LEU 95 CO -0.11 -0.19 0.64 0.00 -0.34 0.00 0.00 178.44 178.43 3i3i h GLU 97 N 1.20 0.03 -0.45 0.00 4.39 -0.46 0.52 114.58 119.81 3i3i h GLU 97 Ca 0.41 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 3i3i h GLU 97 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3i3i h GLU 97 CO -0.15 0.65 -0.03 0.00 -1.16 0.00 0.00 179.01 178.32 3i3i h ASP 99 N 0.66 0.78 -0.67 0.00 3.32 -0.93 -2.06 116.42 117.53 3i3i h ASP 99 Ca 0.12 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3i3i h ASP 99 Cb 0.54 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3i3i h ASP 99 CO 0.03 0.95 0.42 0.50 -1.72 0.00 0.00 179.24 179.42 3i3i h LYS 100 N 0.60 0.90 -0.53 3.56 3.64 -0.78 -1.81 116.57 122.16 3i3i h LYS 100 Ca 0.11 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3i3i h LYS 100 Cb 0.60 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3i3i h LYS 100 CO 0.04 0.63 0.12 0.00 -2.27 0.00 0.00 179.45 177.97 3i3i h ALA 101 N 1.22 1.22 -0.06 5.00 0.00 -1.00 -1.90 119.26 123.74 3i3i h ALA 101 Ca 0.24 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3i3i h ALA 101 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i3i h ALA 101 CO -0.05 0.54 -0.65 -0.24 0.00 0.00 0.00 179.25 178.85 3i3i h VAL 102 N 0.78 1.40 -0.46 0.00 3.04 -1.10 0.13 116.25 120.05 3i3i h VAL 102 Ca 0.17 -2.08 -0.03 0.00 -1.01 0.00 0.00 66.70 63.75 3i3i h VAL 102 Cb 0.30 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 3i3i h VAL 102 CO -0.00 0.61 0.16 0.00 -1.01 0.00 0.00 177.57 177.33 3i3i h ALA 103 N 1.15 0.60 -0.42 3.17 0.00 -0.86 0.67 119.26 123.57 3i3i h ALA 103 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i3i h ALA 103 Cb 1.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3i3i h ALA 103 CO 0.10 0.23 0.24 0.82 0.00 0.00 0.00 179.25 180.64 3i3i h ILE 104 N 0.60 1.14 -0.76 0.00 2.04 -1.22 -1.90 117.51 117.40 3i3i h ILE 104 Ca 0.15 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3i3i h ILE 104 Cb 0.24 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3i3i h ILE 104 CO -0.01 0.14 0.29 0.00 0.00 0.00 0.00 178.15 178.57 3i3i h LEU 106 N 1.11 0.87 -0.92 0.00 3.38 -0.75 -1.99 115.31 117.01 3i3i h LEU 106 Ca 0.25 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3i3i h LEU 106 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3i3i h LEU 106 CO -0.02 0.88 0.33 -0.09 0.09 0.00 0.00 178.44 179.64 3i3i h ARG 107 N 0.81 1.12 0.00 1.13 2.43 -0.54 -2.52 114.38 116.81 3i3i h ARG 107 Ca 0.18 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3i3i h ARG 107 Cb 0.36 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3i3i h ARG 107 CO 0.00 0.88 -0.04 0.93 -1.51 0.00 0.00 179.97 180.24 3i3i h GLU 108 N 1.10 0.00 -0.33 0.20 5.08 -0.27 -2.58 114.58 117.78 3i3i h GLU 108 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3i3i h GLU 108 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i3i h GLU 108 CO -0.03 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 3i3i n ASN 109 N -3.31 3.29 0.21 1.42 3.02 -0.81 -4.55 115.26 114.52 3i3i n ASN 109 Ca -0.02 -2.33 0.15 0.00 -0.03 0.00 0.00 54.58 52.35 3i3i n ASN 109 Cb 0.19 -0.34 0.78 0.00 -0.61 0.00 0.00 39.78 39.79 3i3i n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i3i h LEU 110 N 2.02 0.00 -2.43 3.41 3.38 -1.05 -1.95 115.31 118.69 3i3i h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i3i h LEU 110 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i3i h LEU 110 CO 0.08 0.00 -0.03 1.23 0.09 0.00 0.00 178.44 179.81 3i3i h GLY 111 N 0.00 0.00 -1.03 0.83 0.00 -1.83 -1.68 103.07 99.36 3i3i h GLY 111 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3i3i h GLY 111 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3i3i n THR 112 N -3.64 0.57 -1.63 4.70 -2.24 -0.75 -5.03 114.28 106.26 3i3i n THR 112 Ca -0.03 -0.78 -0.47 0.00 -2.27 0.00 0.00 64.05 60.50 3i3i n THR 112 Cb 0.12 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 3i3i n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3i n TYR 113 N 0.50 1.78 -3.92 4.78 4.19 -0.63 -4.93 117.16 118.93 3i3i n TYR 113 Ca 0.09 0.53 -0.30 0.00 3.31 0.00 0.00 57.90 61.53 3i3i n TYR 113 Cb 0.35 -2.39 -0.15 0.00 0.49 0.00 0.00 39.34 37.64 3i3i n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3i3i s ASN 114 N 0.23 3.95 0.61 2.98 3.84 -1.26 -4.99 114.94 120.30 3i3i s ASN 114 Ca 0.72 -1.33 0.28 0.00 0.21 0.00 0.00 52.86 52.74 3i3i s ASN 114 Cb -0.75 -1.18 1.44 0.00 -0.55 0.00 0.00 41.25 40.21 3i3i s ASN 114 CO 0.50 -0.27 1.84 0.11 -2.79 0.00 0.00 177.10 176.49 3i3i h LYS 115 N 7.94 0.00 0.00 0.43 1.57 -1.99 0.19 116.57 124.70 3i3i h LYS 115 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3i3i h LYS 115 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3i3i h LYS 115 CO 0.43 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.67 3i3i n LYS 116 N -3.47 0.12 0.00 3.15 2.85 -1.26 -1.09 118.16 118.47 3i3i n LYS 116 Ca 0.07 0.48 0.12 0.00 -1.05 0.00 0.00 58.31 57.93 3i3i n LYS 116 Cb 0.66 -1.80 0.22 0.00 -0.65 0.00 0.00 35.03 33.47 3i3i n LYS 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3i3i n TYR 117 N -2.04 0.00 -0.22 5.58 0.53 0.66 -4.62 117.16 117.05 3i3i n TYR 117 Ca 0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.92 3i3i n TYR 117 Cb 0.13 -0.02 0.14 0.00 -1.03 0.00 0.00 39.34 38.56 3i3i n TYR 117 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3i3i h ARG 118 N 3.20 0.26 -1.27 -0.72 2.43 -1.23 0.10 114.38 117.15 3i3i h ARG 118 Ca 0.00 -0.02 -0.55 0.00 -0.81 0.00 0.00 59.98 58.60 3i3i h ARG 118 Cb 0.76 -0.06 -0.42 0.00 -0.42 0.00 0.00 29.97 29.83 3i3i h ARG 118 CO 0.00 0.17 -0.80 0.66 -1.51 0.00 0.00 179.97 178.49 3i3i n TYR 119 N -5.14 3.01 -1.51 2.20 4.02 -1.23 -2.57 117.16 115.95 3i3i n TYR 119 Ca 0.11 -2.86 -0.38 0.00 -0.01 0.00 0.00 57.90 54.76 3i3i n TYR 119 Cb 0.38 -0.17 0.05 0.00 -0.02 0.00 0.00 39.34 39.58 3i3i n TYR 119 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3i3i n HIS 120 N -0.50 -0.14 -2.59 -0.72 -0.00 -0.29 -4.81 115.22 106.16 3i3i n HIS 120 Ca 0.37 0.43 -0.42 0.00 0.46 0.00 0.00 57.72 58.56 3i3i n HIS 120 Cb 0.75 -2.02 -0.03 0.00 -0.12 0.00 0.00 29.99 28.57 3i3i n HIS 120 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3i3i s LEU 121 N -0.40 3.42 0.44 0.27 1.43 -1.26 -4.84 118.68 117.74 3i3i s LEU 121 Ca 0.72 -0.14 0.18 0.00 -1.03 0.00 0.00 54.13 53.86 3i3i s LEU 121 Cb -0.43 -2.92 1.04 0.00 0.03 0.00 0.00 46.19 43.91 3i3i s LEU 121 CO 0.51 -1.59 1.95 0.11 0.23 0.00 0.00 176.35 177.57 3i3i h LYS 122 N 9.69 0.00 -0.22 1.70 1.57 -1.87 -1.39 116.57 126.06 3i3i h LYS 122 Ca -0.26 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3i3i h LYS 122 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3i3i h LYS 122 CO 1.21 0.23 0.17 -1.35 -0.57 0.00 0.00 179.45 179.15 3i3i h PRO 123 N 0.00 0.00 -0.01 3.15 0.11 -1.99 -2.01 132.00 131.25 3i3i h PRO 123 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i3i h PRO 123 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3i3i h PRO 123 CO 0.03 0.00 -0.09 1.19 -0.21 0.00 0.00 178.00 178.92 3i3i n PHE 125 N -4.29 0.00 -1.94 0.65 0.99 -0.52 -4.95 117.46 107.39 3i3i n PHE 125 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.08 3i3i n PHE 125 Cb 0.32 -0.06 0.01 0.00 -1.00 0.00 0.00 39.48 38.75 3i3i n PHE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i3i s LYS 127 N -2.41 4.08 0.33 0.00 1.02 -1.26 -4.87 119.74 116.63 3i3i s LYS 127 Ca 0.60 1.67 -0.29 0.00 0.02 0.00 0.00 55.97 57.97 3i3i s LYS 127 Cb -0.40 -2.59 -0.11 0.00 -0.52 0.00 0.00 37.83 34.21 3i3i s LYS 127 CO 0.51 -0.25 1.55 1.17 -0.92 0.00 0.00 175.35 177.41 3i3i n LYS 129 N -0.05 2.71 -2.50 1.68 4.81 -1.26 -0.99 118.16 122.57 3i3i n LYS 129 Ca 0.05 0.96 -0.38 0.00 -0.87 0.00 0.00 58.31 58.06 3i3i n LYS 129 Cb 0.48 -2.72 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 3i3i n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i3i s ALA 130 N -0.50 3.23 0.92 3.14 0.00 -1.26 -4.31 121.76 122.99 3i3i s ALA 130 Ca 0.59 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3i3i s ALA 130 Cb -0.48 -3.30 0.14 0.00 0.00 0.00 0.00 23.12 19.48 3i3i s ALA 130 CO 0.55 -0.21 1.09 -0.51 0.00 0.00 0.00 175.76 176.68 3i3i s ASP 131 N -1.24 3.24 0.58 0.00 1.01 -1.26 -4.99 116.67 114.02 3i3i s ASP 131 Ca 0.52 1.43 -0.19 0.00 0.71 0.00 0.00 52.55 55.02 3i3i s ASP 131 Cb -0.27 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 3i3i s ASP 131 CO 0.34 -2.78 1.18 -2.84 0.21 0.00 0.00 175.17 171.28 3i3i s PRO 132 N -4.93 3.06 0.00 8.23 0.02 -1.26 -5.06 135.00 135.06 3i3i s PRO 132 Ca 0.64 1.73 0.09 0.00 0.02 0.00 0.00 61.00 63.48 3i3i s PRO 132 Cb -0.18 -1.95 0.53 0.00 0.02 0.00 0.00 34.50 32.92 3i3i s PRO 132 CO 0.57 -1.11 0.98 0.00 -0.33 0.00 0.00 177.00 177.12