#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4i s ASN 2 N 0.00 0.02 0.25 1.61 2.20 -1.26 -5.09 114.94 112.67 2r4i s ASN 2 Ca 0.00 -0.64 -0.04 0.00 -0.94 0.00 0.00 52.86 51.25 2r4i s ASN 2 Cb 0.00 0.46 0.30 0.00 -2.00 0.00 0.00 41.25 40.00 2r4i s ASN 2 CO 0.00 -0.91 1.79 1.56 -2.94 0.00 0.00 177.10 176.59 2r4i h GLN 3 N 2.00 0.94 -0.42 3.55 1.08 -2.05 -2.22 115.11 117.98 2r4i h GLN 3 Ca -0.27 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2r4i h GLN 3 Cb 1.21 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 2r4i h GLN 3 CO 0.36 0.84 0.27 -0.09 -0.95 0.00 0.00 178.83 179.27 2r4i h ARG 4 N 0.90 0.54 -0.98 1.46 2.43 -2.04 -0.91 114.38 115.78 2r4i h ARG 4 Ca 0.19 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2r4i h ARG 4 Cb 0.32 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 2r4i h ARG 4 CO -0.00 0.36 0.63 -0.44 -1.51 0.00 0.00 179.97 179.01 2r4i h ASP 5 N 0.56 1.00 -0.00 -3.80 3.32 -1.84 -0.64 116.42 115.01 2r4i h ASP 5 Ca 0.16 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2r4i h ASP 5 Cb -0.05 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2r4i h ASP 5 CO -0.04 0.62 0.00 0.58 -1.72 0.00 0.00 179.24 178.68 2r4i h VAL 6 N 1.13 1.16 -0.65 -1.35 2.07 -0.85 -1.93 116.25 115.82 2r4i h VAL 6 Ca 0.43 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2r4i h VAL 6 Cb 0.21 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2r4i h VAL 6 CO -0.19 0.12 0.33 0.40 0.02 0.00 0.00 177.57 178.26 2r4i h ILE 7 N -0.19 0.89 -0.37 4.57 2.04 -0.82 -2.51 117.51 121.12 2r4i h ILE 7 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2r4i h ILE 7 Cb 0.20 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2r4i h ILE 7 CO -0.00 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.44 2r4i n LEU 8 N -4.86 2.32 -0.18 1.44 4.77 -0.28 -4.49 117.00 115.72 2r4i n LEU 8 Ca 0.09 -1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 54.95 2r4i n LEU 8 Cb 0.22 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2r4i n LEU 8 CO 0.27 0.55 0.99 -0.78 -1.33 0.00 0.00 177.39 177.08 2r4i h ASP 9 N 2.71 0.25 0.16 -1.43 3.58 -0.88 -0.47 116.42 120.35 2r4i h ASP 9 Ca 0.00 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2r4i h ASP 9 Cb 0.61 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2r4i h ASP 9 CO 0.00 0.17 -0.61 0.00 -2.88 0.00 0.00 179.24 175.92 2r4i h GLU 11 N 0.33 0.25 -0.46 0.00 4.39 -1.67 -0.06 114.58 117.36 2r4i h GLU 11 Ca -0.01 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2r4i h GLU 11 Cb 1.14 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2r4i h GLU 11 CO 0.11 0.17 -0.23 0.87 -1.16 0.00 0.00 179.01 178.76 2r4i h LYS 12 N 0.26 0.97 -0.86 2.33 1.79 -0.71 -1.20 116.57 119.15 2r4i h LYS 12 Ca 0.24 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2r4i h LYS 12 Cb 0.30 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2r4i h LYS 12 CO -0.29 1.10 0.53 0.87 -1.08 0.00 0.00 179.45 180.58 2r4i h LYS 13 N 0.81 1.16 -0.02 3.15 1.57 -1.08 -1.57 116.57 120.59 2r4i h LYS 13 Ca 0.10 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r4i h LYS 13 Cb 0.81 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2r4i h LYS 13 CO 0.07 0.80 0.00 1.25 -0.57 0.00 0.00 179.45 181.01 2r4i h LEU 14 N 1.19 0.03 -1.09 2.94 5.85 -0.38 -0.73 115.31 123.12 2r4i h LEU 14 Ca 0.31 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2r4i h LEU 14 Cb -0.07 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2r4i h LEU 14 CO -0.06 0.26 0.43 -0.07 -0.34 0.00 0.00 178.44 178.66 2r4i h LEU 15 N -0.20 0.94 -0.65 2.25 3.38 -1.05 -0.28 115.31 119.71 2r4i h LEU 15 Ca 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2r4i h LEU 15 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2r4i h LEU 15 CO 0.00 0.75 0.17 0.74 0.09 0.00 0.00 178.44 180.19 2r4i h THR 16 N 1.07 1.25 -0.51 0.22 2.02 -1.22 -1.02 112.91 114.72 2r4i h THR 16 Ca 0.27 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 2r4i h THR 16 Cb 0.01 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2r4i h THR 16 CO -0.05 0.35 -0.09 0.00 0.37 0.00 0.00 175.52 176.10 2r4i h ALA 17 N 1.06 0.87 -0.16 6.16 0.00 -0.49 -1.19 119.26 125.50 2r4i h ALA 17 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2r4i h ALA 17 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2r4i h ALA 17 CO -0.00 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.78 2r4i h ILE 18 N 0.84 1.16 -0.36 0.00 2.04 -0.94 0.12 117.51 120.37 2r4i h ILE 18 Ca 0.14 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2r4i h ILE 18 Cb 0.63 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2r4i h ILE 18 CO 0.04 0.15 0.11 -0.61 0.00 0.00 0.00 178.15 177.84 2r4i h GLN 19 N 0.11 0.52 -0.45 2.37 4.15 -0.91 -3.02 115.11 117.88 2r4i h GLN 19 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2r4i h GLN 19 Cb 0.17 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2r4i h GLN 19 CO -0.00 0.47 0.00 0.09 -1.93 0.00 0.00 178.83 177.45 2r4i n ASN 20 N -4.36 3.25 -3.85 -0.69 5.03 -0.47 -4.57 115.26 109.59 2r4i n ASN 20 Ca 0.02 -1.96 -0.28 0.00 0.87 0.00 0.00 54.58 53.23 2r4i n ASN 20 Cb 0.17 -0.30 0.03 0.00 -1.02 0.00 0.00 39.78 38.65 2r4i n ASN 20 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2r4i n ASN 21 N 0.98 -3.82 -4.54 6.41 3.02 -0.07 -4.86 115.26 112.38 2r4i n ASN 21 Ca 0.16 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 2r4i n ASN 21 Cb 0.50 -3.94 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 2r4i n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2r4i s ASP 22 N -3.60 6.70 0.40 6.41 -1.08 0.22 -4.81 116.67 120.91 2r4i s ASP 22 Ca 0.48 -2.05 0.07 0.00 -0.52 0.00 0.00 52.55 50.53 2r4i s ASP 22 Cb -0.24 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 39.52 2r4i s ASP 22 CO 0.82 -1.23 2.00 0.58 0.52 0.00 0.00 175.17 177.86 2r4i h VAL 23 N 5.99 1.13 -0.54 1.11 2.07 -1.89 -1.80 116.25 122.32 2r4i h VAL 23 Ca 0.28 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2r4i h VAL 23 Cb 0.95 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2r4i h VAL 23 CO 1.36 0.15 0.15 -0.33 0.02 0.00 0.00 177.57 178.93 2r4i h GLU 24 N 0.46 0.86 -0.41 1.57 3.07 -1.99 -1.37 114.58 116.77 2r4i h GLU 24 Ca 0.11 -0.19 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 2r4i h GLU 24 Cb 0.09 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2r4i h GLU 24 CO -0.01 0.79 -0.27 0.77 -1.40 0.00 0.00 179.01 178.90 2r4i h SER 25 N 0.76 0.94 -0.75 1.42 0.02 -1.87 -3.05 113.55 111.01 2r4i h SER 25 Ca 0.17 -0.43 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2r4i h SER 25 Cb 0.31 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2r4i h SER 25 CO -0.00 1.16 0.49 -0.07 -1.14 0.00 0.00 176.83 177.27 2r4i h LEU 26 N 0.72 0.76 -1.46 5.07 3.38 -1.07 -1.28 115.31 121.43 2r4i h LEU 26 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2r4i h LEU 26 Cb 0.84 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2r4i h LEU 26 CO 0.07 0.52 0.09 -0.08 0.09 0.00 0.00 178.44 179.13 2r4i h GLU 27 N 0.88 0.45 0.20 1.13 4.57 -1.15 -1.72 114.58 118.94 2r4i h GLU 27 Ca 0.30 -0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 58.09 2r4i h GLU 27 Cb 0.10 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2r4i h GLU 27 CO -0.09 0.41 -1.54 0.28 -1.18 0.00 0.00 179.01 176.89 2r4i h VAL 28 N 0.45 1.19 0.00 0.32 2.07 -1.41 -3.38 116.25 115.49 2r4i h VAL 28 Ca 0.11 -2.72 -0.13 0.00 0.82 0.00 0.00 66.70 64.78 2r4i h VAL 28 Cb 0.15 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2r4i h VAL 28 CO -0.01 0.84 -0.62 -0.07 0.02 0.00 0.00 177.57 177.73 2r4i h LEU 29 N 0.11 0.00 -9.30 2.57 3.38 -1.04 -3.45 115.31 107.58 2r4i h LEU 29 Ca -0.26 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.10 2r4i h LEU 29 Cb 2.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.73 2r4i h LEU 29 CO 0.22 0.62 -0.49 -0.76 0.09 0.00 0.00 178.44 178.12 2r4i s LEU 30 N -6.52 4.20 0.22 1.67 1.43 -0.67 -0.65 118.68 118.36 2r4i s LEU 30 Ca 0.03 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 2r4i s LEU 30 Cb 0.08 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 2r4i s LEU 30 CO 0.76 0.21 1.09 -2.28 0.23 0.00 0.00 176.35 176.36 2r4i s HIS 31 N 0.19 3.61 0.46 0.29 5.65 -0.27 -4.84 115.29 120.37 2r4i s HIS 31 Ca 0.09 1.65 0.24 0.00 0.25 0.00 0.00 55.06 57.28 2r4i s HIS 31 Cb -0.11 -3.26 1.25 0.00 -1.18 0.00 0.00 32.58 29.28 2r4i s HIS 31 CO -0.01 -0.54 1.82 -0.44 -0.65 0.00 0.00 174.74 174.92 2r4i h ASP 32 N 4.61 0.27 -0.55 9.88 5.19 -1.92 -2.21 116.42 131.69 2r4i h ASP 32 Ca -0.45 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 55.93 2r4i h ASP 32 Cb 1.21 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2r4i h ASP 32 CO 0.70 0.07 0.08 0.47 -3.12 0.00 0.00 179.24 177.44 2r4i n ASP 33 N -4.45 5.04 -4.76 6.45 8.00 -1.26 -4.56 116.55 121.00 2r4i n ASP 33 Ca 0.23 -3.06 -0.31 0.00 0.71 0.00 0.00 54.79 52.36 2r4i n ASP 33 Cb 0.92 -0.68 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 2r4i n ASP 33 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2r4i s LEU 34 N -2.87 2.90 -0.03 0.64 0.05 -0.83 -4.98 118.68 113.55 2r4i s LEU 34 Ca 0.52 1.76 0.04 0.00 0.05 0.00 0.00 54.13 56.50 2r4i s LEU 34 Cb 0.41 -4.41 -0.00 0.00 -2.05 0.00 0.00 46.19 40.14 2r4i s LEU 34 CO 0.13 -2.13 -0.15 -0.76 -0.55 0.00 0.00 176.35 172.89 2r4i s LEU 35 N -5.97 1.90 -0.01 1.48 1.43 -1.21 -4.30 118.68 112.01 2r4i s LEU 35 Ca 0.61 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2r4i s LEU 35 Cb -0.17 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2r4i s LEU 35 CO 0.56 0.14 -0.26 -0.36 0.23 0.00 0.00 176.35 176.66 2r4i s PHE 36 N 0.00 2.32 -0.15 0.29 0.08 -0.12 -1.99 117.98 118.42 2r4i s PHE 36 Ca -0.02 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 2r4i s PHE 36 Cb -0.10 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 2r4i s PHE 36 CO 0.01 -0.00 -0.03 0.42 -0.10 0.00 0.00 175.22 175.52 2r4i s ILE 37 N -0.65 4.00 0.41 0.64 -1.09 -0.41 -0.38 121.20 123.72 2r4i s ILE 37 Ca 0.10 -0.33 0.08 0.00 -2.23 0.00 0.00 60.65 58.27 2r4i s ILE 37 Cb -0.10 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 2r4i s ILE 37 CO -0.00 0.51 0.35 0.27 -1.23 0.00 0.00 174.94 174.83 2r4i s ILE 38 N 0.17 2.69 0.54 2.92 -4.36 -0.88 -1.18 121.20 121.10 2r4i s ILE 38 Ca -0.01 -1.39 0.26 0.00 -0.26 0.00 0.00 60.65 59.25 2r4i s ILE 38 Cb -0.14 -3.01 0.39 0.00 1.25 0.00 0.00 42.46 40.96 2r4i s ILE 38 CO 0.03 -0.02 2.00 -0.65 0.24 0.00 0.00 174.94 176.54 2r4i h PRO 39 N 1.10 0.00 0.00 0.37 0.11 -1.89 0.59 132.00 132.28 2r4i h PRO 39 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2r4i h PRO 39 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2r4i h PRO 39 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 2r4i n SER 40 N -4.26 0.65 0.00 -2.05 3.41 -1.26 -4.86 113.62 105.24 2r4i n SER 40 Ca 0.09 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2r4i n SER 40 Cb 0.59 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2r4i n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r4i n GLY 41 N -0.33 0.72 3.78 5.00 0.00 0.20 -5.06 105.19 109.50 2r4i n GLY 41 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2r4i n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r4i s GLU 42 N -0.60 3.77 -0.28 1.61 2.02 -1.26 -4.81 118.70 119.15 2r4i s GLU 42 Ca 0.00 1.51 -0.10 0.00 0.02 0.00 0.00 54.97 56.40 2r4i s GLU 42 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2r4i s GLU 42 CO 0.00 -0.49 0.16 0.99 0.02 0.00 0.00 175.26 175.95 2r4i s THR 43 N -1.80 5.08 -0.04 3.63 2.01 -1.26 -2.07 115.64 121.19 2r4i s THR 43 Ca 0.66 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.77 2r4i s THR 43 Cb -0.21 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2r4i s THR 43 CO 0.25 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 2r4i s VAL 44 N 1.72 3.00 0.45 3.82 1.01 0.49 -4.95 120.40 125.95 2r4i s VAL 44 Ca 0.07 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2r4i s VAL 44 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2r4i s VAL 44 CO 0.09 0.58 0.62 0.42 0.00 0.00 0.00 175.10 176.81 2r4i s THR 45 N -0.74 3.07 0.15 3.92 -4.23 -1.26 -0.94 115.64 115.62 2r4i s THR 45 Ca 0.12 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.58 2r4i s THR 45 Cb -0.11 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.69 2r4i s THR 45 CO 0.01 -0.03 1.74 0.50 -0.54 0.00 0.00 174.62 176.29 2r4i h LYS 46 N 0.50 0.22 -0.83 3.99 3.64 -1.80 -1.59 116.57 120.70 2r4i h LYS 46 Ca -0.41 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 2r4i h LYS 46 Cb 1.28 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2r4i h LYS 46 CO 0.48 0.15 0.55 0.93 -2.27 0.00 0.00 179.45 179.29 2r4i h GLU 47 N 0.23 1.08 -0.26 1.90 5.08 -1.95 -0.31 114.58 120.36 2r4i h GLU 47 Ca 0.16 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2r4i h GLU 47 Cb 0.16 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2r4i h GLU 47 CO -0.19 0.72 0.06 1.15 -1.00 0.00 0.00 179.01 179.75 2r4i h THR 48 N 1.12 1.21 0.22 1.13 2.02 -1.89 -0.83 112.91 115.88 2r4i h THR 48 Ca 0.31 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2r4i h THR 48 Cb -0.11 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2r4i h THR 48 CO -0.07 0.23 -0.16 -0.78 0.37 0.00 0.00 175.52 175.10 2r4i h ASP 49 N 0.24 -0.42 -0.68 4.18 3.58 -0.89 -2.88 116.42 119.55 2r4i h ASP 49 Ca 0.08 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 2r4i h ASP 49 Cb 0.29 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2r4i h ASP 49 CO 0.00 -0.26 0.18 0.40 -2.88 0.00 0.00 179.24 176.68 2r4i h ILE 50 N -0.39 1.26 -0.69 2.25 2.04 -1.06 -2.81 117.51 118.10 2r4i h ILE 50 Ca -0.01 -0.94 0.11 0.00 1.00 0.00 0.00 64.86 65.01 2r4i h ILE 50 Cb 0.34 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2r4i h ILE 50 CO -0.01 0.36 0.46 0.00 0.00 0.00 0.00 178.15 178.97 2r4i h ALA 51 N 1.14 1.94 -0.76 1.87 0.00 -0.99 -0.89 119.26 121.57 2r4i h ALA 51 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2r4i h ALA 51 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2r4i h ALA 51 CO 0.00 -0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.50 2r4i h ALA 52 N 1.65 0.98 -0.23 0.00 0.00 -1.29 -1.03 119.26 119.34 2r4i h ALA 52 Ca 0.32 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2r4i h ALA 52 Cb 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2r4i h ALA 52 CO -0.11 0.56 -0.61 1.88 0.00 0.00 0.00 179.25 180.97 2r4i h TYR 53 N 1.07 1.01 -0.44 0.00 0.05 -1.28 -2.90 116.97 114.48 2r4i h TYR 53 Ca 0.26 -0.38 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 2r4i h TYR 53 Cb 0.14 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2r4i h TYR 53 CO 0.01 1.20 0.00 0.77 -1.05 0.00 0.00 178.16 179.09 2r4i h SER 54 N 0.59 0.67 0.24 3.88 0.02 -1.01 -3.17 113.55 114.77 2r4i h SER 54 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2r4i h SER 54 Cb 1.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2r4i h SER 54 CO 0.13 0.74 0.00 -1.54 -1.14 0.00 0.00 176.83 175.02 2r4i n SER 55 N -4.24 0.00 -0.00 3.07 3.41 -0.41 -4.88 113.62 110.58 2r4i n SER 55 Ca 0.02 -0.61 -0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2r4i n SER 55 Cb 0.28 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2r4i n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r4i n GLY 56 N 1.07 0.48 0.23 5.00 0.00 -1.20 -4.92 105.19 105.85 2r4i n GLY 56 Ca 0.19 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2r4i n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r4i h LYS 57 N 0.95 0.00 -5.20 1.61 6.56 -1.77 -3.43 116.57 115.29 2r4i h LYS 57 Ca -0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 2r4i h LYS 57 Cb 0.03 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 31.40 2r4i h LYS 57 CO 0.00 0.09 -0.79 0.42 -2.06 0.00 0.00 179.45 177.11 2r4i s ILE 58 N -3.36 2.78 -0.46 1.86 1.01 -1.23 -4.31 121.20 117.50 2r4i s ILE 58 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2r4i s ILE 58 Cb 0.07 -2.18 0.19 0.00 0.01 0.00 0.00 42.46 40.55 2r4i s ILE 58 CO 0.64 0.51 0.41 0.00 0.00 0.00 0.00 174.94 176.50 2r4i n ALA 59 N 4.01 2.91 -2.69 9.38 0.00 0.66 -4.94 120.51 129.85 2r4i n ALA 59 Ca -0.19 -3.43 -0.39 0.00 0.00 0.00 0.00 53.44 49.43 2r4i n ALA 59 Cb 0.52 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 2r4i n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r4i s LEU 60 N -0.50 4.21 0.06 0.00 1.43 -1.26 -1.31 118.68 121.31 2r4i s LEU 60 Ca 0.33 0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 54.19 2r4i s LEU 60 Cb 0.06 -2.85 -0.31 0.00 0.03 0.00 0.00 46.19 43.13 2r4i s LEU 60 CO -0.17 -0.16 1.09 0.08 0.23 0.00 0.00 176.35 177.42 2r4i h ARG 61 N 7.14 0.44 -3.17 1.70 0.11 -1.15 -3.45 114.38 116.00 2r4i h ARG 61 Ca -0.36 -0.71 -0.14 0.00 0.10 0.00 0.00 59.98 58.87 2r4i h ARG 61 Cb 1.16 0.26 -0.22 0.00 1.11 0.00 0.00 29.97 32.28 2r4i h ARG 61 CO 0.76 1.33 -0.38 0.00 0.10 0.00 0.00 179.97 181.78 2r4i s ALA 62 N -2.70 -0.62 -0.32 0.08 0.00 -1.24 -5.07 121.76 111.89 2r4i s ALA 62 Ca -0.07 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 2r4i s ALA 62 Cb 0.06 -0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.15 2r4i s ALA 62 CO 0.92 -0.19 0.14 0.08 0.00 0.00 0.00 175.76 176.71 2r4i s VAL 63 N -0.70 0.40 -0.19 0.00 1.01 -1.26 -3.15 120.40 116.50 2r4i s VAL 63 Ca -0.08 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 2r4i s VAL 63 Cb -0.04 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2r4i s VAL 63 CO 0.02 -0.77 -0.11 -0.69 0.00 0.00 0.00 175.10 173.55 2r4i s VAL 64 N 1.61 2.92 0.28 2.92 1.01 -1.14 -4.90 120.40 123.10 2r4i s VAL 64 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2r4i s VAL 64 Cb -0.18 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2r4i s VAL 64 CO -0.23 0.48 0.61 -2.16 0.00 0.00 0.00 175.10 173.80 2r4i s PRO 65 N 1.21 3.79 0.04 2.72 0.04 -1.26 -1.17 135.00 140.37 2r4i s PRO 65 Ca 0.02 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.17 2r4i s PRO 65 Cb -0.14 -2.57 0.04 0.00 0.04 0.00 0.00 34.50 31.87 2r4i s PRO 65 CO -0.04 0.21 0.45 -1.54 0.04 0.00 0.00 177.00 176.13 2r4i s SER 66 N -2.64 -0.35 -1.06 6.66 1.04 -0.43 -5.00 113.70 111.91 2r4i s SER 66 Ca 0.48 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.93 2r4i s SER 66 Cb -0.11 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.47 2r4i s SER 66 CO 0.24 -0.67 0.91 -0.67 0.98 0.00 0.00 173.24 174.02 2r4i n ASP 67 N 0.51 -5.41 -4.67 7.02 2.03 -1.26 -1.44 116.55 113.33 2r4i n ASP 67 Ca -0.19 -0.41 -0.44 0.00 0.52 0.00 0.00 54.79 54.27 2r4i n ASP 67 Cb 0.60 -4.02 -0.02 0.00 -0.72 0.00 0.00 41.12 36.96 2r4i n ASP 67 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2r4i n TYR 68 N -4.45 2.12 -3.99 -0.67 4.01 -1.26 -4.50 117.16 108.42 2r4i n TYR 68 Ca 0.00 0.50 -0.30 0.00 -0.16 0.00 0.00 57.90 57.95 2r4i n TYR 68 Cb 0.55 -2.42 -0.16 0.00 -0.31 0.00 0.00 39.34 36.99 2r4i n TYR 68 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2r4i s ILE 69 N -0.52 1.48 -0.03 -0.72 1.01 0.32 -5.01 121.20 117.73 2r4i s ILE 69 Ca 0.63 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.73 2r4i s ILE 69 Cb -0.63 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2r4i s ILE 69 CO 0.55 0.40 -0.25 -0.63 0.00 0.00 0.00 174.94 175.01 2r4i s ILE 70 N 1.52 2.10 -0.06 2.92 1.01 -1.26 -1.13 121.20 126.30 2r4i s ILE 70 Ca 0.04 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2r4i s ILE 70 Cb -0.13 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.63 2r4i s ILE 70 CO -0.10 0.58 -0.02 -0.13 0.00 0.00 0.00 174.94 175.27 2r4i s ARG 71 N -0.53 0.69 -0.26 2.79 1.81 -0.08 -5.00 118.95 118.37 2r4i s ARG 71 Ca 0.08 -0.00 -0.11 0.00 -1.72 0.00 0.00 55.73 53.98 2r4i s ARG 71 Cb -0.11 -0.87 -0.05 0.00 -0.45 0.00 0.00 34.95 33.48 2r4i s ARG 71 CO -0.00 -0.18 0.17 0.42 -0.68 0.00 0.00 175.30 175.03 2r4i s ILE 72 N 1.37 5.32 -0.36 1.52 1.01 -1.26 -0.68 121.20 128.12 2r4i s ILE 72 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2r4i s ILE 72 Cb -0.13 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.95 2r4i s ILE 72 CO -0.02 0.31 0.15 -0.63 0.00 0.00 0.00 174.94 174.75 2r4i s ILE 73 N 1.36 1.02 0.00 2.92 1.01 0.85 -5.02 121.20 123.34 2r4i s ILE 73 Ca 0.07 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.88 2r4i s ILE 73 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2r4i s ILE 73 CO 0.07 -0.78 0.00 1.41 0.00 0.00 0.00 174.94 175.64 2r4i n HIS 74 N 4.32 0.00 0.13 3.97 8.25 -1.26 -1.35 115.22 129.29 2r4i n HIS 74 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 2r4i n HIS 74 Cb 0.39 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.68 2r4i n HIS 74 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2r4i n ASP 75 N 7.69 3.18 -4.06 0.41 5.75 -1.26 -4.88 116.55 123.39 2r4i n ASP 75 Ca 0.00 -2.43 -0.21 0.00 -0.01 0.00 0.00 54.79 52.14 2r4i n ASP 75 Cb 0.00 -0.59 -0.15 0.00 -1.03 0.00 0.00 41.12 39.35 2r4i n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2r4i s THR 76 N -1.81 0.94 -0.18 2.12 2.01 -0.45 -1.11 115.64 117.15 2r4i s THR 76 Ca 0.25 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2r4i s THR 76 Cb 0.19 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2r4i s THR 76 CO 0.07 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.46 2r4i s VAL 77 N -0.15 2.77 -0.21 3.82 1.01 -0.03 -0.10 120.40 127.51 2r4i s VAL 77 Ca 0.02 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2r4i s VAL 77 Cb -0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2r4i s VAL 77 CO -0.00 0.49 0.08 -0.69 0.00 0.00 0.00 175.10 174.98 2r4i s VAL 78 N 1.15 4.72 -0.05 2.92 1.01 0.15 -0.92 120.40 129.38 2r4i s VAL 78 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2r4i s VAL 78 Cb -0.14 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2r4i s VAL 78 CO -0.04 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.60 2r4i s VAL 79 N 0.84 1.42 -0.08 2.92 1.01 0.01 -0.91 120.40 125.60 2r4i s VAL 79 Ca 0.04 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2r4i s VAL 79 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2r4i s VAL 79 CO 0.02 0.41 -0.20 -0.55 0.00 0.00 0.00 175.10 174.78 2r4i s SER 80 N 0.18 2.63 -0.09 3.32 0.15 -0.28 -1.13 113.70 118.47 2r4i s SER 80 Ca -0.07 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 55.86 2r4i s SER 80 Cb -0.13 -1.14 0.06 0.00 -1.71 0.00 0.00 66.02 63.10 2r4i s SER 80 CO 0.03 0.13 0.60 0.54 1.20 0.00 0.00 173.24 175.74 2r4i s VAL 81 N 0.38 0.01 -0.00 4.45 0.11 -0.52 -0.52 120.40 124.30 2r4i s VAL 81 Ca -0.16 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.52 2r4i s VAL 81 Cb -0.17 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2r4i s VAL 81 CO 0.07 -0.05 0.94 0.20 -3.33 0.00 0.00 175.10 172.93 2r4i s ASN 82 N -0.82 7.33 -0.14 3.54 0.01 -0.52 -0.48 114.94 123.86 2r4i s ASN 82 Ca -0.09 1.60 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 2r4i s ASN 82 Cb -0.02 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2r4i s ASN 82 CO 0.07 -0.23 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.63 2r4i s ILE 83 N 0.92 1.72 -0.16 0.60 -1.09 -0.33 -1.32 121.20 121.54 2r4i s ILE 83 Ca 0.50 -0.76 -0.28 0.00 -2.23 0.00 0.00 60.65 57.88 2r4i s ILE 83 Cb -0.21 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 2r4i s ILE 83 CO 0.27 0.48 0.97 -1.61 -1.23 0.00 0.00 174.94 173.83 2r4i s GLU 84 N 1.14 4.34 -0.25 2.79 2.02 -0.32 -1.60 118.70 126.82 2r4i s GLU 84 Ca -0.02 1.29 -0.02 0.00 0.02 0.00 0.00 54.97 56.24 2r4i s GLU 84 Cb -0.14 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.53 2r4i s GLU 84 CO -0.06 -0.42 -0.06 0.42 0.02 0.00 0.00 175.26 175.16 2r4i s ILE 85 N 2.45 2.90 -0.10 -1.63 -1.09 0.46 -2.90 121.20 121.29 2r4i s ILE 85 Ca 0.44 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2r4i s ILE 85 Cb -0.17 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2r4i s ILE 85 CO 0.13 0.21 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.42 2r4i s LYS 86 N 1.33 1.59 0.00 2.79 1.02 -1.19 -1.72 119.74 123.57 2r4i s LYS 86 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2r4i s LYS 86 Cb -0.16 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 2r4i s LYS 86 CO -0.04 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2r4i n GLY 87 N 4.62 0.41 3.77 -3.33 0.00 -0.36 -0.58 105.19 109.71 2r4i n GLY 87 Ca -0.16 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 2r4i n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r4i s GLU 88 N -2.00 3.73 0.00 1.61 0.41 -0.43 0.01 118.70 122.03 2r4i s GLU 88 Ca 0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.33 2r4i s GLU 88 Cb 0.00 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2r4i s GLU 88 CO 0.00 0.53 0.26 0.98 -0.49 0.00 0.00 175.26 176.54 2r4i n TYR 89 N 2.77 0.00 0.03 1.61 4.19 -1.26 -0.24 117.16 124.26 2r4i n TYR 89 Ca -0.18 -0.03 0.01 0.00 3.31 0.00 0.00 57.90 61.01 2r4i n TYR 89 Cb 0.53 -0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.38 2r4i n TYR 89 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 2r4i n GLU 91 N -0.03 0.00 -2.76 2.98 4.71 -1.26 -4.65 120.64 119.63 2r4i n GLU 91 Ca 0.00 0.14 -0.42 0.00 -0.01 0.00 0.00 57.16 56.87 2r4i n GLU 91 Cb 0.24 -0.37 -0.03 0.00 -1.01 0.00 0.00 31.44 30.27 2r4i n GLU 91 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2r4i s HIS 92 N -1.66 3.49 -0.20 -0.32 3.76 -1.26 -5.03 115.29 114.07 2r4i s HIS 92 Ca -0.00 1.48 -0.20 0.00 -0.15 0.00 0.00 55.06 56.19 2r4i s HIS 92 Cb 0.00 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 2r4i s HIS 92 CO 0.02 -0.21 0.61 0.99 -0.85 0.00 0.00 174.74 175.30 2r4i s THR 93 N 1.98 5.03 0.02 1.30 2.01 -1.26 -4.38 115.64 120.34 2r4i s THR 93 Ca 0.45 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.63 2r4i s THR 93 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2r4i s THR 93 CO 0.16 0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.41 2r4i s LEU 94 N 1.91 3.30 -0.45 4.42 1.43 0.10 -4.97 118.68 124.42 2r4i s LEU 94 Ca 0.28 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2r4i s LEU 94 Cb -0.16 -1.93 0.29 0.00 0.03 0.00 0.00 46.19 44.42 2r4i s LEU 94 CO 0.10 0.26 1.08 -0.67 0.23 0.00 0.00 176.35 177.35 2r4i n ASP 95 N 1.29 -2.37 -3.90 2.29 2.03 -1.11 -1.22 116.55 113.55 2r4i n ASP 95 Ca -0.14 -3.32 -0.09 0.00 0.52 0.00 0.00 54.79 51.76 2r4i n ASP 95 Cb 0.52 1.78 -0.08 0.00 -0.72 0.00 0.00 41.12 42.62 2r4i n ASP 95 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2r4i s ASN 96 N -1.26 0.19 -0.08 1.67 -0.87 -0.70 -5.00 114.94 108.89 2r4i s ASN 96 Ca 0.25 -0.70 -0.03 0.00 -1.57 0.00 0.00 52.86 50.81 2r4i s ASN 96 Cb 0.27 0.31 -0.04 0.00 -0.02 0.00 0.00 41.25 41.77 2r4i s ASN 96 CO -0.13 -0.69 0.06 -0.89 -2.57 0.00 0.00 177.10 172.88 2r4i s THR 97 N -3.79 4.80 0.10 1.60 2.01 -1.26 -0.40 115.64 118.70 2r4i s THR 97 Ca 0.05 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 61.99 2r4i s THR 97 Cb 0.05 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2r4i s THR 97 CO -0.10 0.55 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.82 2r4i s PHE 98 N -1.00 1.70 -0.40 4.92 0.40 -0.63 -3.77 117.98 119.20 2r4i s PHE 98 Ca 0.16 -0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 55.87 2r4i s PHE 98 Cb -0.12 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.49 2r4i s PHE 98 CO 0.05 0.18 0.58 0.50 0.70 0.00 0.00 175.22 177.23 2r4i s ARG 99 N -1.88 3.38 -0.08 0.44 6.06 0.03 -1.19 118.95 125.72 2r4i s ARG 99 Ca 0.05 -0.34 -0.14 0.00 -2.50 0.00 0.00 55.73 52.81 2r4i s ARG 99 Cb -0.10 -3.90 -0.05 0.00 0.06 0.00 0.00 34.95 30.96 2r4i s ARG 99 CO 0.04 -0.86 0.35 0.71 -2.50 0.00 0.00 175.30 173.03 2r4i s TYR 100 N 2.59 3.61 -0.15 5.12 1.51 0.37 -1.20 117.35 129.20 2r4i s TYR 100 Ca 0.20 0.80 -0.04 0.00 -1.01 0.00 0.00 57.07 57.02 2r4i s TYR 100 Cb -0.15 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 2r4i s TYR 100 CO 0.16 0.48 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.90 2r4i s LEU 101 N -0.42 3.42 -0.00 -1.29 2.96 -0.23 -1.44 118.68 121.68 2r4i s LEU 101 Ca 0.21 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2r4i s LEU 101 Cb -0.15 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 2r4i s LEU 101 CO 0.09 0.21 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.15 2r4i s ARG 102 N 0.11 0.45 -0.19 1.98 0.52 -0.29 -1.08 118.95 120.45 2r4i s ARG 102 Ca 0.01 -0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2r4i s ARG 102 Cb -0.13 -0.43 0.01 0.00 0.52 0.00 0.00 34.95 34.91 2r4i s ARG 102 CO 0.02 0.12 -0.13 0.08 0.02 0.00 0.00 175.30 175.41 2r4i s VAL 103 N -0.15 2.65 -0.08 3.52 1.01 -0.13 -0.81 120.40 126.40 2r4i s VAL 103 Ca 0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2r4i s VAL 103 Cb -0.02 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2r4i s VAL 103 CO -0.00 0.49 -0.04 0.26 0.00 0.00 0.00 175.10 175.81 2r4i s TRP 104 N 1.30 3.03 -0.01 5.22 0.52 -0.09 -0.56 118.94 128.35 2r4i s TRP 104 Ca 0.04 0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.28 2r4i s TRP 104 Cb -0.14 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2r4i s TRP 104 CO -0.08 0.36 -0.18 0.21 0.02 0.00 0.00 176.95 177.28 2r4i s LYS 105 N -0.75 1.45 -0.68 4.98 2.20 0.02 -0.85 119.74 126.12 2r4i s LYS 105 Ca 0.11 -0.66 -0.22 0.00 -0.36 0.00 0.00 55.97 54.84 2r4i s LYS 105 Cb -0.11 -1.41 0.07 0.00 -1.51 0.00 0.00 37.83 34.87 2r4i s LYS 105 CO 0.02 0.39 0.98 -1.17 -0.36 0.00 0.00 175.35 175.20 2r4i s LEU 106 N -0.47 4.42 -0.06 5.43 2.96 -0.27 -1.48 118.68 129.20 2r4i s LEU 106 Ca 0.07 -1.06 -0.06 0.00 -0.22 0.00 0.00 54.13 52.86 2r4i s LEU 106 Cb -0.07 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.22 2r4i s LEU 106 CO -0.01 -1.42 0.17 0.12 -1.32 0.00 0.00 176.35 173.89 2r4i s PHE 107 N 3.99 -0.18 -1.37 5.38 5.36 -0.58 -4.77 117.98 125.80 2r4i s PHE 107 Ca 0.23 0.45 -0.07 0.00 -0.96 0.00 0.00 56.93 56.58 2r4i s PHE 107 Cb -0.16 0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.62 2r4i s PHE 107 CO 0.09 -0.10 0.50 -3.47 -1.46 0.00 0.00 175.22 170.78 2r4i n ASP 108 N 3.09 -4.56 0.00 6.13 2.03 -1.26 -2.14 116.55 119.84 2r4i n ASP 108 Ca -0.14 -0.32 0.00 0.00 0.52 0.00 0.00 54.79 54.86 2r4i n ASP 108 Cb 0.58 -3.74 0.00 0.00 -0.72 0.00 0.00 41.12 37.25 2r4i n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2r4i n GLY 109 N -1.27 0.36 3.08 0.27 0.00 -1.26 -5.00 105.19 101.37 2r4i n GLY 109 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2r4i n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r4i s ASN 110 N -2.16 0.87 -0.12 1.61 0.01 -0.91 -5.12 114.94 109.13 2r4i s ASN 110 Ca 0.00 -0.68 -0.30 0.00 -0.71 0.00 0.00 52.86 51.17 2r4i s ASN 110 Cb 0.00 0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.71 2r4i s ASN 110 CO 0.00 -0.30 1.16 0.26 -1.51 0.00 0.00 177.10 176.71 2r4i s TRP 111 N -2.08 3.19 0.00 2.20 0.52 -1.26 -1.53 118.94 119.98 2r4i s TRP 111 Ca -0.04 1.27 0.04 0.00 0.02 0.00 0.00 56.10 57.39 2r4i s TRP 111 Cb -0.05 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.88 2r4i s TRP 111 CO -0.02 -1.08 -0.13 0.15 0.02 0.00 0.00 176.95 175.89 2r4i s LYS 112 N 2.63 1.00 -0.10 4.98 1.02 -0.55 -4.73 119.74 123.98 2r4i s LYS 112 Ca 0.52 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 2r4i s LYS 112 Cb -0.21 -0.98 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 2r4i s LYS 112 CO 0.17 0.26 1.34 0.08 -0.92 0.00 0.00 175.35 176.29 2r4i s VAL 113 N -0.46 4.07 -0.44 3.17 1.01 0.17 -0.80 120.40 127.12 2r4i s VAL 113 Ca 0.04 1.33 0.17 0.00 0.00 0.00 0.00 61.98 63.52 2r4i s VAL 113 Cb -0.06 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 2r4i s VAL 113 CO -0.00 -0.08 0.55 2.30 0.00 0.00 0.00 175.10 177.87 2r4i n ILE 114 N 5.17 0.00 -3.55 2.22 -5.35 0.28 -1.12 119.36 117.01 2r4i n ILE 114 Ca 0.14 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 2r4i n ILE 114 Cb 0.44 0.61 -0.06 0.00 -1.74 0.00 0.00 39.64 38.90 2r4i n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2r4i s ALA 115 N -2.83 -1.85 0.07 -1.28 0.00 -1.21 -3.30 121.76 111.36 2r4i s ALA 115 Ca 0.01 1.45 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 2r4i s ALA 115 Cb 0.12 -0.34 0.09 0.00 0.00 0.00 0.00 23.12 22.99 2r4i s ALA 115 CO 0.69 -0.34 1.16 0.20 0.00 0.00 0.00 175.76 177.47 2r4i s GLY 116 N -1.17 -0.19 0.10 0.00 0.00 -0.84 -0.96 107.32 104.26 2r4i s GLY 116 Ca -0.06 0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.72 2r4i s GLY 116 CO 0.06 1.77 0.33 -1.35 0.00 0.00 0.00 173.10 173.91 2r4i s SER 117 N -3.24 -0.13 -0.17 1.64 1.04 -0.24 -1.28 113.70 111.31 2r4i s SER 117 Ca 0.19 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2r4i s SER 117 Cb 0.01 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2r4i s SER 117 CO 0.00 -0.77 -0.12 0.00 0.98 0.00 0.00 173.24 173.34 2r4i s THR 119 N 1.48 3.57 0.35 0.00 2.01 -0.34 -3.28 115.64 119.42 2r4i s THR 119 Ca 0.02 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 2r4i s THR 119 Cb -0.14 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 2r4i s THR 119 CO -0.09 0.44 0.86 0.00 -0.69 0.00 0.00 174.62 175.14 2r4i s ALA 120 N 1.06 3.21 -0.42 7.40 0.00 -1.26 -0.79 121.76 130.96 2r4i s ALA 120 Ca 0.01 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 2r4i s ALA 120 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.98 2r4i s ALA 120 CO 0.00 0.22 0.53 0.42 0.00 0.00 0.00 175.76 176.94 2r4i s ILE 121 N -1.90 4.97 0.00 0.00 -1.09 -1.25 -4.92 121.20 117.01 2r4i s ILE 121 Ca 0.54 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2r4i s ILE 121 Cb -0.13 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2r4i s ILE 121 CO 0.18 -0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.02