#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4i n ILE 7 N 0.00 0.00 0.13 2.52 0.13 -1.26 -4.62 119.36 116.26 2r4i n ILE 7 Ca 0.00 -0.27 0.06 0.00 -1.10 0.00 0.00 62.75 61.44 2r4i n ILE 7 Cb 0.00 0.48 0.53 0.00 -0.84 0.00 0.00 39.64 39.81 2r4i n ILE 7 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2r4i h LEU 8 N 0.00 0.23 -0.65 9.51 3.38 -2.05 -0.23 115.31 125.50 2r4i h LEU 8 Ca 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2r4i h LEU 8 Cb 0.53 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2r4i h LEU 8 CO 0.00 0.17 -0.02 0.44 0.09 0.00 0.00 178.44 179.12 2r4i h ASP 9 N 0.27 1.01 -0.31 -0.43 3.32 -2.00 -0.18 116.42 118.11 2r4i h ASP 9 Ca 0.07 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 2r4i h ASP 9 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2r4i h ASP 9 CO -0.02 1.08 -0.05 0.00 -1.72 0.00 0.00 179.24 178.53 2r4i h GLU 11 N 0.36 -0.07 -0.77 0.00 4.39 -0.93 -0.46 114.58 117.11 2r4i h GLU 11 Ca 0.08 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.83 2r4i h GLU 11 Cb 0.53 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2r4i h GLU 11 CO 0.03 -0.05 0.48 -0.22 -1.16 0.00 0.00 179.01 178.09 2r4i h LYS 12 N -0.07 0.87 -0.77 2.33 1.63 -0.85 -0.91 116.57 118.80 2r4i h LYS 12 Ca 0.16 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2r4i h LYS 12 Cb 0.32 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 2r4i h LYS 12 CO -0.38 0.58 0.45 0.87 -3.45 0.00 0.00 179.45 177.52 2r4i h LYS 13 N 0.90 1.06 -0.19 1.90 1.57 -0.86 -1.78 116.57 119.17 2r4i h LYS 13 Ca 0.32 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2r4i h LYS 13 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2r4i h LYS 13 CO -0.14 0.77 0.03 1.25 -0.57 0.00 0.00 179.45 180.78 2r4i h LEU 14 N 1.06 0.31 -0.95 2.94 5.85 -0.60 0.20 115.31 124.13 2r4i h LEU 14 Ca 0.27 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2r4i h LEU 14 Cb -0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2r4i h LEU 14 CO -0.05 0.50 0.20 -0.07 -0.34 0.00 0.00 178.44 178.68 2r4i h LEU 15 N 0.11 0.90 -0.43 2.25 3.38 -1.05 -0.97 115.31 119.50 2r4i h LEU 15 Ca 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2r4i h LEU 15 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2r4i h LEU 15 CO 0.00 0.84 0.10 0.74 0.09 0.00 0.00 178.44 180.22 2r4i h THR 16 N 0.94 1.23 -0.57 0.22 2.02 -1.25 -1.32 112.91 114.18 2r4i h THR 16 Ca 0.21 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.63 2r4i h THR 16 Cb 0.26 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 2r4i h THR 16 CO -0.01 0.28 0.31 0.00 0.37 0.00 0.00 175.52 176.48 2r4i h ALA 17 N 0.96 0.74 -0.31 6.16 0.00 -0.46 -1.90 119.26 124.45 2r4i h ALA 17 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2r4i h ALA 17 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2r4i h ALA 17 CO 0.00 -0.00 0.11 0.82 0.00 0.00 0.00 179.25 180.18 2r4i h ILE 18 N 0.61 1.19 0.00 0.00 1.08 -1.05 0.04 117.51 119.37 2r4i h ILE 18 Ca 0.25 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 2r4i h ILE 18 Cb 0.12 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2r4i h ILE 18 CO -0.15 0.21 -0.06 -0.61 -0.69 0.00 0.00 178.15 176.85 2r4i h GLN 19 N 0.35 0.00 -0.43 2.37 4.15 -0.98 -3.07 115.11 117.51 2r4i h GLN 19 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2r4i h GLN 19 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2r4i h GLN 19 CO -0.01 0.06 0.00 0.09 -1.93 0.00 0.00 178.83 177.04 2r4i n ASN 20 N -4.09 3.16 -4.07 -0.69 5.03 -0.74 -4.53 115.26 109.34 2r4i n ASN 20 Ca -0.03 -1.96 -0.33 0.00 0.87 0.00 0.00 54.58 53.13 2r4i n ASN 20 Cb 0.14 -0.28 -0.00 0.00 -1.02 0.00 0.00 39.78 38.62 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 0.88 -3.77 -4.54 6.41 3.02 -0.54 -4.86 115.26 111.86 2r4i n ASN 21 Ca 0.15 -0.91 -0.43 0.00 -0.03 0.00 0.00 54.58 53.36 2r4i n ASN 21 Cb 0.48 -3.28 -0.01 0.00 -0.61 0.00 0.00 39.78 36.36 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 -3.38 6.83 0.47 6.41 2.15 -0.11 -4.81 116.67 124.24 2r4i s ASP 22 Ca 0.66 -2.41 0.22 0.00 0.43 0.00 0.00 52.55 51.45 2r4i s ASP 22 Cb -0.35 -2.52 1.19 0.00 -0.30 0.00 0.00 42.92 40.94 2r4i s ASP 22 CO 0.88 -1.11 1.99 -0.37 -0.17 0.00 0.00 175.17 176.39 2r4i h VAL 23 N 5.55 0.80 -0.50 1.11 -1.51 -1.89 -1.66 116.25 118.15 2r4i h VAL 23 Ca 0.36 -0.73 -0.09 0.00 -1.23 0.00 0.00 66.70 65.01 2r4i h VAL 23 Cb 0.90 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 2r4i h VAL 23 CO 1.38 0.18 -0.03 -0.33 -1.23 0.00 0.00 177.57 177.54 2r4i h GLU 24 N 0.00 0.91 -0.33 5.19 3.07 -1.99 -0.30 114.58 121.12 2r4i h GLU 24 Ca -0.00 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.41 2r4i h GLU 24 Cb 0.42 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2r4i h GLU 24 CO 0.02 0.95 -0.35 0.77 -1.40 0.00 0.00 179.01 179.01 2r4i h SER 25 N 0.77 0.88 -0.67 1.42 0.02 -1.86 -3.09 113.55 111.02 2r4i h SER 25 Ca 0.14 -0.47 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2r4i h SER 25 Cb 0.56 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2r4i h SER 25 CO 0.03 1.18 0.44 -0.07 -1.14 0.00 0.00 176.83 177.27 2r4i h LEU 26 N 0.61 0.65 -1.78 5.07 3.38 -1.13 -0.48 115.31 121.63 2r4i h LEU 26 Ca 0.05 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2r4i h LEU 26 Cb 0.93 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2r4i h LEU 26 CO 0.09 0.44 0.27 -0.08 0.09 0.00 0.00 178.44 179.25 2r4i h GLU 27 N 0.75 0.26 0.08 1.13 4.57 -0.96 -1.46 114.58 118.95 2r4i h GLU 27 Ca 0.27 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.19 2r4i h GLU 27 Cb 0.14 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2r4i h GLU 27 CO -0.08 0.17 -1.29 0.28 -1.18 0.00 0.00 179.01 176.91 2r4i h VAL 28 N 0.27 1.04 0.00 0.32 2.07 -1.39 -3.39 116.25 115.17 2r4i h VAL 28 Ca 0.18 -2.34 -0.08 0.00 0.82 0.00 0.00 66.70 65.28 2r4i h VAL 28 Cb 0.36 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2r4i h VAL 28 CO -0.04 0.62 -0.39 -0.07 0.02 0.00 0.00 177.57 177.72 2r4i h LEU 29 N -0.50 0.00 -9.20 2.57 3.38 -0.94 -3.43 115.31 107.19 2r4i h LEU 29 Ca -0.30 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.07 2r4i h LEU 29 Cb 1.61 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.23 2r4i h LEU 29 CO -0.01 0.39 -0.49 -0.76 0.09 0.00 0.00 178.44 177.66 2r4i s LEU 30 N -7.35 4.17 0.31 1.67 1.43 -0.57 -0.30 118.68 118.05 2r4i s LEU 30 Ca -0.01 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2r4i s LEU 30 Cb 0.12 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 2r4i s LEU 30 CO 0.69 0.13 1.27 -2.28 0.23 0.00 0.00 176.35 176.39 2r4i s HIS 31 N 0.65 3.16 0.37 0.29 5.65 -0.25 -4.83 115.29 120.33 2r4i s HIS 31 Ca 0.08 1.46 0.14 0.00 0.25 0.00 0.00 55.06 56.98 2r4i s HIS 31 Cb -0.12 -3.60 0.97 0.00 -1.18 0.00 0.00 32.58 28.64 2r4i s HIS 31 CO 0.01 -1.62 1.79 -0.44 -0.65 0.00 0.00 174.74 173.83 2r4i h ASP 32 N 3.57 0.57 -0.81 9.88 3.32 -1.91 -1.76 116.42 129.27 2r4i h ASP 32 Ca -0.48 0.08 -0.31 0.00 0.02 0.00 0.00 57.03 56.35 2r4i h ASP 32 Cb 1.22 -0.01 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 2r4i h ASP 32 CO 0.66 0.16 0.38 0.47 -1.72 0.00 0.00 179.24 179.20 2r4i n ASP 33 N -4.67 4.50 -4.78 6.45 8.00 -1.26 -4.51 116.55 120.27 2r4i n ASP 33 Ca 0.24 -3.35 -0.32 0.00 0.71 0.00 0.00 54.79 52.06 2r4i n ASP 33 Cb 0.73 -0.77 0.05 0.00 -0.02 0.00 0.00 41.12 41.11 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 -3.09 3.30 -0.07 0.64 0.05 -0.66 -4.96 118.68 113.88 2r4i s LEU 34 Ca 0.56 1.90 0.03 0.00 0.05 0.00 0.00 54.13 56.67 2r4i s LEU 34 Cb 0.45 -4.54 0.01 0.00 -2.05 0.00 0.00 46.19 40.07 2r4i s LEU 34 CO 0.13 -1.64 -0.14 -0.76 -0.55 0.00 0.00 176.35 173.38 2r4i s LEU 35 N -5.10 1.72 -0.04 1.48 1.43 -1.16 -4.11 118.68 112.90 2r4i s LEU 35 Ca 0.64 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2r4i s LEU 35 Cb -0.19 -0.91 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 2r4i s LEU 35 CO 0.45 0.06 -0.16 0.12 0.23 0.00 0.00 176.35 177.05 2r4i s PHE 36 N 0.57 1.61 -0.20 0.29 5.36 -0.07 -1.86 117.98 123.68 2r4i s PHE 36 Ca -0.14 -0.47 -0.07 0.00 -0.96 0.00 0.00 56.93 55.28 2r4i s PHE 36 Cb -0.16 -1.09 -0.04 0.00 -0.34 0.00 0.00 43.02 41.39 2r4i s PHE 36 CO 0.04 -0.17 0.07 0.42 -1.46 0.00 0.00 175.22 174.12 2r4i s ILE 37 N 0.11 4.65 0.35 3.12 -1.09 -0.36 0.21 121.20 128.19 2r4i s ILE 37 Ca -0.05 -0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.37 2r4i s ILE 37 Cb -0.11 -3.12 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2r4i s ILE 37 CO 0.02 0.42 0.46 0.27 -1.23 0.00 0.00 174.94 174.87 2r4i s ILE 38 N 0.79 3.76 0.54 2.92 -4.36 -0.78 -1.50 121.20 122.56 2r4i s ILE 38 Ca 0.04 -1.07 0.34 0.00 -0.26 0.00 0.00 60.65 59.69 2r4i s ILE 38 Cb -0.13 -3.29 0.52 0.00 1.25 0.00 0.00 42.46 40.80 2r4i s ILE 38 CO 0.02 -0.13 1.85 -0.65 0.24 0.00 0.00 174.94 176.27 2r4i h PRO 39 N 0.91 0.01 0.00 0.37 0.11 -1.89 0.83 132.00 132.34 2r4i h PRO 39 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.52 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 2r4i n SER 40 N -4.23 0.47 0.00 -2.05 3.41 -1.26 -4.88 113.62 105.08 2r4i n SER 40 Ca 0.22 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2r4i n SER 40 Cb 1.10 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.20 0.65 3.77 5.00 0.00 0.29 -5.07 105.19 110.02 2r4i n GLY 41 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2r4i n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r4i s GLU 42 N -0.76 4.21 -0.28 1.61 2.12 -1.25 -4.81 118.70 119.54 2r4i s GLU 42 Ca 0.00 2.21 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 2r4i s GLU 42 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2r4i s GLU 42 CO 0.00 -0.31 0.16 0.99 -0.54 0.00 0.00 175.26 175.57 2r4i s THR 43 N -1.18 5.03 -0.11 -1.70 2.01 -1.26 -1.88 115.64 116.55 2r4i s THR 43 Ca 0.52 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 2r4i s THR 43 Cb -0.39 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2r4i s THR 43 CO 0.52 0.24 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.99 2r4i s VAL 44 N 1.71 4.19 0.42 3.82 1.01 0.13 -4.93 120.40 126.76 2r4i s VAL 44 Ca 0.07 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2r4i s VAL 44 Cb -0.16 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2r4i s VAL 44 CO 0.09 0.57 0.59 0.42 0.00 0.00 0.00 175.10 176.77 2r4i s THR 45 N -0.52 3.49 0.20 3.92 -4.23 -1.26 -0.89 115.64 116.36 2r4i s THR 45 Ca 0.09 -0.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.66 2r4i s THR 45 Cb -0.12 -3.23 0.13 0.00 1.34 0.00 0.00 72.50 70.62 2r4i s THR 45 CO 0.02 -0.12 1.79 0.50 -0.54 0.00 0.00 174.62 176.27 2r4i h LYS 46 N 0.57 0.56 -0.42 3.99 3.64 -1.79 -0.46 116.57 122.66 2r4i h LYS 46 Ca -0.43 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2r4i h LYS 46 Cb 1.27 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2r4i h LYS 46 CO 0.51 0.37 0.24 1.49 -2.27 0.00 0.00 179.45 179.79 2r4i h GLU 47 N 0.58 0.46 -0.64 1.90 4.81 -1.95 0.11 114.58 119.84 2r4i h GLU 47 Ca 0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2r4i h GLU 47 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2r4i h GLU 47 CO -0.21 0.30 0.06 1.15 -0.73 0.00 0.00 179.01 179.59 2r4i h THR 48 N 0.47 1.26 -0.18 0.32 2.02 -1.89 -0.92 112.91 114.00 2r4i h THR 48 Ca 0.17 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 2r4i h THR 48 Cb 0.04 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2r4i h THR 48 CO -0.10 0.40 0.02 -0.78 0.37 0.00 0.00 175.52 175.43 2r4i h ASP 49 N 1.01 0.30 -0.66 4.18 3.58 -0.65 -2.05 116.42 122.13 2r4i h ASP 49 Ca 0.19 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 2r4i h ASP 49 Cb 0.49 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 2r4i h ASP 49 CO 0.02 0.51 0.11 0.40 -2.88 0.00 0.00 179.24 177.40 2r4i h ILE 50 N 0.09 1.26 -0.87 2.25 2.04 -0.97 -2.29 117.51 119.03 2r4i h ILE 50 Ca 0.05 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 64.92 2r4i h ILE 50 Cb 0.34 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2r4i h ILE 50 CO 0.01 0.39 0.57 0.00 0.00 0.00 0.00 178.15 179.11 2r4i h ALA 51 N 1.05 1.47 -0.34 1.87 0.00 -1.08 -0.45 119.26 121.77 2r4i h ALA 51 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2r4i h ALA 51 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2r4i h ALA 51 CO 0.01 0.44 0.17 0.00 0.00 0.00 0.00 179.25 179.87 2r4i h ALA 52 N 1.50 0.43 0.00 0.00 0.00 -0.91 0.11 119.26 120.39 2r4i h ALA 52 Ca 0.35 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2r4i h ALA 52 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2r4i h ALA 52 CO -0.11 -0.02 -0.27 1.88 0.00 0.00 0.00 179.25 180.73 2r4i h TYR 53 N 0.41 0.00 0.00 0.00 0.05 -0.81 -2.41 116.97 114.20 2r4i h TYR 53 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2r4i h TYR 53 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2r4i h TYR 53 CO -0.02 0.27 -0.18 0.43 -1.05 0.00 0.00 178.16 177.61 2r4i n SER 54 N -4.09 0.37 0.10 3.88 7.64 -0.25 -4.31 113.62 116.96 2r4i n SER 54 Ca -0.02 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.30 2r4i n SER 54 Cb 0.33 -0.34 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 2r4i n SER 54 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2r4i n SER 55 N -1.75 0.64 -0.07 6.43 3.41 -0.01 -4.90 113.62 117.36 2r4i n SER 55 Ca 0.06 0.61 -0.01 0.00 -0.26 0.00 0.00 58.87 59.27 2r4i n SER 55 Cb 0.37 -0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 0.62 0.49 0.55 5.00 0.00 -1.26 -4.93 105.19 105.65 2r4i n GLY 56 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2r4i n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r4i n LYS 57 N -2.67 1.36 -4.47 1.61 5.02 -1.26 -4.92 118.16 112.82 2r4i n LYS 57 Ca -0.01 -1.49 -0.32 0.00 -2.02 0.00 0.00 58.31 54.47 2r4i n LYS 57 Cb 0.07 -1.25 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 2r4i n LYS 57 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2r4i s ILE 58 N -1.00 1.96 -0.37 -0.18 1.01 -1.26 -4.02 121.20 117.34 2r4i s ILE 58 Ca 0.17 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2r4i s ILE 58 Cb 0.11 -1.75 0.15 0.00 0.01 0.00 0.00 42.46 40.98 2r4i s ILE 58 CO 0.16 0.53 0.24 0.00 0.00 0.00 0.00 174.94 175.87 2r4i s ALA 59 N 0.99 1.08 -0.24 9.38 0.00 0.26 -4.94 121.76 128.29 2r4i s ALA 59 Ca -0.03 -2.03 -0.22 0.00 0.00 0.00 0.00 51.96 49.67 2r4i s ALA 59 Cb -0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 2r4i s ALA 59 CO -0.05 -2.07 0.70 -0.51 0.00 0.00 0.00 175.76 173.82 2r4i s LEU 60 N 0.79 4.08 0.13 0.00 1.43 -1.26 -1.10 118.68 122.75 2r4i s LEU 60 Ca 0.22 0.84 0.13 0.00 -1.03 0.00 0.00 54.13 54.29 2r4i s LEU 60 Cb -0.16 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 2r4i s LEU 60 CO -0.04 -0.40 1.12 0.03 0.23 0.00 0.00 176.35 177.28 2r4i h ARG 61 N 7.76 0.00 -3.22 1.70 3.08 -0.07 -3.45 114.38 120.18 2r4i h ARG 61 Ca -0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.60 2r4i h ARG 61 Cb 1.12 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 2r4i h ARG 61 CO 0.80 0.56 -0.49 0.00 -1.07 0.00 0.00 179.97 179.77 2r4i s ALA 62 N -2.84 -0.48 -0.34 0.04 0.00 -0.85 -4.99 121.76 112.31 2r4i s ALA 62 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 2r4i s ALA 62 Cb 0.09 -0.38 0.13 0.00 0.00 0.00 0.00 23.12 22.95 2r4i s ALA 62 CO 0.79 -0.12 0.19 0.08 0.00 0.00 0.00 175.76 176.71 2r4i s VAL 63 N 0.37 0.10 -0.23 0.00 1.01 -1.25 -1.25 120.40 119.15 2r4i s VAL 63 Ca -0.02 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 2r4i s VAL 63 Cb -0.04 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2r4i s VAL 63 CO -0.02 -0.94 -0.09 -0.69 0.00 0.00 0.00 175.10 173.37 2r4i s VAL 64 N 1.28 2.85 0.32 2.92 1.01 -0.31 -4.93 120.40 123.54 2r4i s VAL 64 Ca 0.16 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2r4i s VAL 64 Cb -0.22 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2r4i s VAL 64 CO -0.06 0.34 0.61 -2.16 0.00 0.00 0.00 175.10 173.82 2r4i s PRO 65 N 1.36 3.65 0.08 2.72 0.04 -1.26 -0.95 135.00 140.65 2r4i s PRO 65 Ca 0.03 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 2r4i s PRO 65 Cb -0.15 -2.58 0.07 0.00 0.04 0.00 0.00 34.50 31.88 2r4i s PRO 65 CO -0.06 0.14 0.61 -1.54 0.04 0.00 0.00 177.00 176.19 2r4i s SER 66 N -3.24 -0.58 -1.13 6.66 1.04 -0.46 -4.99 113.70 110.99 2r4i s SER 66 Ca 0.45 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 2r4i s SER 66 Cb -0.11 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2r4i s SER 66 CO 0.31 -0.83 0.98 -0.67 0.98 0.00 0.00 173.24 174.01 2r4i n ASP 67 N 0.12 -4.60 -4.70 7.02 2.03 -1.26 -1.04 116.55 114.13 2r4i n ASP 67 Ca -0.18 -0.49 -0.44 0.00 0.52 0.00 0.00 54.79 54.21 2r4i n ASP 67 Cb 0.62 -4.45 -0.03 0.00 -0.72 0.00 0.00 41.12 36.53 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 -4.37 2.53 -4.24 -0.67 4.01 -1.26 -4.40 117.16 108.76 2r4i n TYR 68 Ca -0.08 0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.61 2r4i n TYR 68 Cb 0.58 -2.59 -0.17 0.00 -0.31 0.00 0.00 39.34 36.86 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 0.71 1.19 0.02 -0.72 -1.09 0.04 -5.02 121.20 116.32 2r4i s ILE 69 Ca 0.73 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 2r4i s ILE 69 Cb -0.58 -1.14 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2r4i s ILE 69 CO 0.39 0.38 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.73 2r4i s ILE 70 N 1.21 1.03 -0.05 2.92 1.01 -1.26 -0.55 121.20 125.50 2r4i s ILE 70 Ca -0.04 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2r4i s ILE 70 Cb -0.14 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.44 2r4i s ILE 70 CO -0.03 0.10 -0.10 -0.13 0.00 0.00 0.00 174.94 174.78 2r4i s ARG 71 N -0.79 1.42 -0.22 2.79 1.81 -0.16 -5.01 118.95 118.79 2r4i s ARG 71 Ca 0.03 -0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 53.62 2r4i s ARG 71 Cb -0.07 -1.22 -0.03 0.00 -0.45 0.00 0.00 34.95 33.18 2r4i s ARG 71 CO 0.00 0.03 0.05 0.42 -0.68 0.00 0.00 175.30 175.12 2r4i s ILE 72 N 0.61 4.30 -0.37 1.52 1.01 -1.26 -0.52 121.20 126.49 2r4i s ILE 72 Ca -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2r4i s ILE 72 Cb -0.14 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.47 2r4i s ILE 72 CO 0.02 0.39 0.16 -0.63 0.00 0.00 0.00 174.94 174.88 2r4i s ILE 73 N 1.19 1.13 0.00 2.92 1.01 0.22 -5.02 121.20 122.64 2r4i s ILE 73 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 58.74 2r4i s ILE 73 Cb -0.14 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2r4i s ILE 73 CO 0.03 -0.78 0.00 1.41 0.00 0.00 0.00 174.94 175.59 2r4i n HIS 74 N 4.22 0.00 0.12 3.97 8.25 -1.26 -1.55 115.22 128.97 2r4i n HIS 74 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 2r4i n HIS 74 Cb 0.38 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.71 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 9.32 3.32 -4.13 0.41 5.75 -1.26 -4.90 116.55 125.06 2r4i n ASP 75 Ca 0.00 -2.40 -0.22 0.00 -0.01 0.00 0.00 54.79 52.16 2r4i n ASP 75 Cb 0.00 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.42 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 -1.86 1.16 -0.13 2.12 2.01 -0.59 -1.50 115.64 116.84 2r4i s THR 76 Ca 0.30 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2r4i s THR 76 Cb 0.21 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2r4i s THR 76 CO 0.11 0.23 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 2r4i s VAL 77 N -0.50 1.79 -0.21 3.82 1.01 -0.12 -0.61 120.40 125.59 2r4i s VAL 77 Ca 0.05 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 2r4i s VAL 77 Cb -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2r4i s VAL 77 CO 0.00 0.50 0.15 -0.69 0.00 0.00 0.00 175.10 175.06 2r4i s VAL 78 N 1.01 5.39 -0.06 2.92 1.01 0.32 -0.43 120.40 130.57 2r4i s VAL 78 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2r4i s VAL 78 Cb -0.15 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2r4i s VAL 78 CO -0.04 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.66 2r4i s VAL 79 N 0.54 1.10 -0.10 2.92 1.01 0.28 -0.99 120.40 125.17 2r4i s VAL 79 Ca 0.08 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2r4i s VAL 79 Cb -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2r4i s VAL 79 CO -0.00 0.35 -0.22 -0.55 0.00 0.00 0.00 175.10 174.67 2r4i s SER 80 N 0.61 2.94 -0.05 3.32 0.15 0.28 -0.78 113.70 120.17 2r4i s SER 80 Ca -0.13 -0.54 -0.23 0.00 0.70 0.00 0.00 55.95 55.75 2r4i s SER 80 Cb -0.15 -1.34 0.05 0.00 -1.71 0.00 0.00 66.02 62.86 2r4i s SER 80 CO 0.03 0.13 0.51 0.54 1.20 0.00 0.00 173.24 175.65 2r4i s VAL 81 N 0.48 0.02 0.03 4.45 0.11 -0.45 -0.78 120.40 124.26 2r4i s VAL 81 Ca -0.16 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 2r4i s VAL 81 Cb -0.17 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2r4i s VAL 81 CO 0.06 -0.11 0.94 0.20 -3.33 0.00 0.00 175.10 172.86 2r4i s ASN 82 N -1.13 7.37 -0.14 3.54 0.01 -0.21 -0.81 114.94 123.58 2r4i s ASN 82 Ca -0.11 1.66 -0.00 0.00 -0.71 0.00 0.00 52.86 53.69 2r4i s ASN 82 Cb -0.03 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.10 2r4i s ASN 82 CO 0.07 -0.17 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.76 2r4i s ILE 83 N 0.61 1.28 -0.24 0.60 -1.09 0.05 -1.36 121.20 121.07 2r4i s ILE 83 Ca 0.49 -0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 58.23 2r4i s ILE 83 Cb -0.21 -1.28 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 2r4i s ILE 83 CO 0.28 0.37 0.47 -0.70 -1.23 0.00 0.00 174.94 174.13 2r4i s GLU 84 N 1.60 4.11 -0.12 2.79 2.12 -0.12 -1.28 118.70 127.80 2r4i s GLU 84 Ca 0.04 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.68 2r4i s GLU 84 Cb -0.13 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 2r4i s GLU 84 CO -0.09 -0.23 -0.21 0.42 -0.54 0.00 0.00 175.26 174.61 2r4i s ILE 85 N 1.93 2.30 -0.11 -3.70 1.01 0.06 -1.16 121.20 121.53 2r4i s ILE 85 Ca 0.21 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2r4i s ILE 85 Cb -0.15 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2r4i s ILE 85 CO 0.09 0.55 -0.12 -0.54 0.00 0.00 0.00 174.94 174.91 2r4i s LYS 86 N 0.51 1.97 0.00 2.79 1.02 -0.38 -2.40 119.74 123.25 2r4i s LYS 86 Ca -0.13 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.41 2r4i s LYS 86 Cb -0.17 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 2r4i s LYS 86 CO 0.05 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2r4i n GLY 87 N 4.49 -0.14 3.50 -3.33 0.00 -0.69 0.68 105.19 109.70 2r4i n GLY 87 Ca -0.17 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 3.68 -0.14 1.61 0.41 -0.26 0.05 118.70 122.06 2r4i s GLU 88 Ca 0.00 -0.51 0.22 0.00 -0.41 0.00 0.00 54.97 54.27 2r4i s GLU 88 Cb 0.00 -2.96 0.46 0.00 -1.78 0.00 0.00 34.13 29.85 2r4i s GLU 88 CO 0.00 0.21 1.15 0.98 -0.49 0.00 0.00 175.26 177.11 2r4i n TYR 89 N 3.64 0.68 0.00 1.61 4.19 -1.26 -0.58 117.16 125.44 2r4i n TYR 89 Ca -0.17 -1.34 0.00 0.00 3.31 0.00 0.00 57.90 59.70 2r4i n TYR 89 Cb 0.52 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 40.15 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 -0.15 0.00 -4.98 2.98 -0.58 -1.26 -4.70 120.64 111.95 2r4i n GLU 91 Ca 0.11 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.53 2r4i n GLU 91 Cb 0.96 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.69 2r4i n GLU 91 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2r4i s HIS 92 N 0.00 2.45 -0.13 -0.32 3.76 -1.26 -5.12 115.29 114.67 2r4i s HIS 92 Ca 0.00 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.38 2r4i s HIS 92 Cb 0.00 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2r4i s HIS 92 CO 0.00 0.11 0.55 0.99 -0.85 0.00 0.00 174.74 175.54 2r4i s THR 93 N -0.75 5.12 -0.05 1.30 2.01 -1.26 -4.36 115.64 117.65 2r4i s THR 93 Ca 0.12 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.24 2r4i s THR 93 Cb -0.10 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2r4i s THR 93 CO 0.01 0.26 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.28 2r4i s LEU 94 N 1.01 2.66 -0.47 4.42 1.43 0.11 -4.98 118.68 122.85 2r4i s LEU 94 Ca 0.28 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2r4i s LEU 94 Cb -0.16 -1.53 0.26 0.00 0.03 0.00 0.00 46.19 44.80 2r4i s LEU 94 CO 0.12 0.34 0.93 -0.67 0.23 0.00 0.00 176.35 177.30 2r4i n ASP 95 N 2.33 -2.54 -3.97 2.29 -0.08 -1.17 -1.71 116.55 111.70 2r4i n ASP 95 Ca -0.17 -3.38 -0.09 0.00 -1.51 0.00 0.00 54.79 49.64 2r4i n ASP 95 Cb 0.52 1.70 -0.08 0.00 2.34 0.00 0.00 41.12 45.60 2r4i n ASP 95 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2r4i s ASN 96 N -1.57 0.12 -0.01 1.67 -0.87 -1.01 -4.99 114.94 108.28 2r4i s ASN 96 Ca 0.30 -0.88 -0.02 0.00 -1.57 0.00 0.00 52.86 50.69 2r4i s ASN 96 Cb 0.25 0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 41.82 2r4i s ASN 96 CO -0.19 -0.82 0.15 -0.89 -2.57 0.00 0.00 177.10 172.79 2r4i s THR 97 N -3.95 5.25 0.03 1.60 2.01 -1.26 -0.76 115.64 118.56 2r4i s THR 97 Ca 0.15 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.99 2r4i s THR 97 Cb 0.05 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2r4i s THR 97 CO -0.03 0.34 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.73 2r4i s PHE 98 N -1.28 1.38 -0.31 4.92 0.40 -0.40 -2.24 117.98 120.46 2r4i s PHE 98 Ca 0.26 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 56.06 2r4i s PHE 98 Cb -0.12 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 2r4i s PHE 98 CO 0.17 0.04 0.52 0.50 0.70 0.00 0.00 175.22 177.15 2r4i s ARG 99 N -1.03 3.85 -0.04 0.44 6.06 0.49 -0.77 118.95 127.95 2r4i s ARG 99 Ca 0.04 0.08 -0.09 0.00 -2.50 0.00 0.00 55.73 53.26 2r4i s ARG 99 Cb -0.08 -3.73 -0.05 0.00 0.06 0.00 0.00 34.95 31.15 2r4i s ARG 99 CO 0.01 -0.50 0.27 0.71 -2.50 0.00 0.00 175.30 173.28 2r4i s TYR 100 N 2.37 3.63 -0.10 5.12 1.51 0.01 -0.71 117.35 129.17 2r4i s TYR 100 Ca 0.20 0.69 0.00 0.00 -1.01 0.00 0.00 57.07 56.95 2r4i s TYR 100 Cb -0.15 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2r4i s TYR 100 CO 0.11 0.67 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.96 2r4i s LEU 101 N -1.27 2.94 -0.01 -1.29 2.96 -0.11 -1.35 118.68 120.56 2r4i s LEU 101 Ca 0.22 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2r4i s LEU 101 Cb -0.14 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.90 2r4i s LEU 101 CO 0.11 0.25 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.23 2r4i s ARG 102 N -0.16 0.30 -0.19 1.98 0.52 0.04 -1.09 118.95 120.35 2r4i s ARG 102 Ca 0.01 -0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 2r4i s ARG 102 Cb -0.13 -0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.03 2r4i s ARG 102 CO 0.03 0.06 -0.14 0.08 0.02 0.00 0.00 175.30 175.35 2r4i s VAL 103 N 0.03 2.59 -0.07 3.52 1.01 0.30 -0.55 120.40 127.22 2r4i s VAL 103 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2r4i s VAL 103 Cb -0.03 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2r4i s VAL 103 CO -0.00 0.50 0.01 0.26 0.00 0.00 0.00 175.10 175.86 2r4i s TRP 104 N 1.32 3.16 -0.02 5.22 0.52 0.43 -0.61 118.94 128.95 2r4i s TRP 104 Ca 0.04 0.18 0.05 0.00 0.02 0.00 0.00 56.10 56.39 2r4i s TRP 104 Cb -0.14 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 2r4i s TRP 104 CO -0.08 0.47 -0.17 0.21 0.02 0.00 0.00 176.95 177.40 2r4i s LYS 105 N -1.03 1.46 -0.70 4.98 2.20 0.12 -0.94 119.74 125.83 2r4i s LYS 105 Ca 0.15 -0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 54.91 2r4i s LYS 105 Cb -0.11 -1.38 0.06 0.00 -1.51 0.00 0.00 37.83 34.89 2r4i s LYS 105 CO 0.04 0.34 1.07 -1.17 -0.36 0.00 0.00 175.35 175.27 2r4i s LEU 106 N -0.30 4.05 -0.01 5.43 2.96 -0.56 -1.30 118.68 128.94 2r4i s LEU 106 Ca 0.04 -0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 53.03 2r4i s LEU 106 Cb -0.08 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.15 2r4i s LEU 106 CO -0.00 -1.54 0.04 0.12 -1.32 0.00 0.00 176.35 173.65 2r4i s PHE 107 N 4.50 -0.01 -1.14 5.38 5.36 -0.31 -4.73 117.98 127.03 2r4i s PHE 107 Ca 0.27 0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 56.22 2r4i s PHE 107 Cb -0.13 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.57 2r4i s PHE 107 CO 0.10 -0.05 0.28 -3.47 -1.46 0.00 0.00 175.22 170.62 2r4i n ASP 108 N 2.82 -3.75 0.00 6.13 2.03 -1.26 -2.13 116.55 120.39 2r4i n ASP 108 Ca -0.14 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2r4i n ASP 108 Cb 0.59 -3.14 0.00 0.00 -0.72 0.00 0.00 41.12 37.85 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 -1.01 1.63 3.24 0.27 0.00 -1.26 -5.03 105.19 103.03 2r4i n GLY 109 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.31 1.94 -0.16 1.61 -0.87 -0.90 -5.10 114.94 108.15 2r4i s ASN 110 Ca 0.00 -0.85 -0.29 0.00 -1.57 0.00 0.00 52.86 50.15 2r4i s ASN 110 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.25 41.15 2r4i s ASN 110 CO 0.00 -0.18 1.36 0.26 -2.57 0.00 0.00 177.10 175.96 2r4i s TRP 111 N -2.39 2.64 -0.03 2.20 0.52 -1.26 -1.17 118.94 119.45 2r4i s TRP 111 Ca 0.10 0.82 0.07 0.00 0.02 0.00 0.00 56.10 57.11 2r4i s TRP 111 Cb -0.03 -3.63 -0.01 0.00 -1.15 0.00 0.00 33.47 28.64 2r4i s TRP 111 CO 0.03 -2.17 -0.23 0.15 0.02 0.00 0.00 176.95 174.75 2r4i s LYS 112 N 3.70 2.02 -0.20 4.98 1.02 -0.42 -4.73 119.74 126.11 2r4i s LYS 112 Ca 0.59 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 2r4i s LYS 112 Cb -0.24 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 2r4i s LYS 112 CO 0.19 0.44 1.31 0.08 -0.92 0.00 0.00 175.35 176.45 2r4i s VAL 113 N -0.39 4.18 -0.26 3.17 1.01 0.59 -0.70 120.40 128.00 2r4i s VAL 113 Ca 0.05 1.40 0.19 0.00 0.00 0.00 0.00 61.98 63.61 2r4i s VAL 113 Cb -0.10 -4.00 -0.26 0.00 0.00 0.00 0.00 36.38 32.02 2r4i s VAL 113 CO 0.01 -0.23 0.51 2.30 0.00 0.00 0.00 175.10 177.69 2r4i n ILE 114 N 5.66 0.00 -3.50 2.22 -5.35 0.22 -1.09 119.36 117.52 2r4i n ILE 114 Ca 0.15 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 2r4i n ILE 114 Cb 0.45 0.34 -0.04 0.00 -1.74 0.00 0.00 39.64 38.65 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 -3.13 -1.76 -0.05 -1.28 0.00 -1.18 -2.97 121.76 111.39 2r4i s ALA 115 Ca -0.03 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 2r4i s ALA 115 Cb 0.12 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.52 2r4i s ALA 115 CO 0.77 -0.51 1.34 0.20 0.00 0.00 0.00 175.76 177.55 2r4i s GLY 116 N -1.79 -0.27 0.14 0.00 0.00 -0.78 -0.54 107.32 104.08 2r4i s GLY 116 Ca -0.04 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.87 2r4i s GLY 116 CO -0.01 4.09 0.42 -1.35 0.00 0.00 0.00 173.10 176.25 2r4i s SER 117 N -3.57 -0.24 -0.17 1.64 1.04 -0.25 -1.22 113.70 110.93 2r4i s SER 117 Ca 0.25 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2r4i s SER 117 Cb 0.02 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2r4i s SER 117 CO -0.03 -0.88 -0.08 0.00 0.98 0.00 0.00 173.24 173.23 2r4i s THR 119 N 1.55 4.05 0.09 0.00 2.01 0.11 -3.23 115.64 120.21 2r4i s THR 119 Ca 0.01 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 2r4i s THR 119 Cb -0.15 -2.99 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 2r4i s THR 119 CO -0.08 0.21 1.33 0.00 -0.69 0.00 0.00 174.62 175.38 2r4i s ALA 120 N 1.54 3.52 -0.60 7.40 0.00 -1.26 -0.38 121.76 131.99 2r4i s ALA 120 Ca 0.04 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 2r4i s ALA 120 Cb -0.16 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.55 2r4i s ALA 120 CO 0.02 -0.58 0.72 0.42 0.00 0.00 0.00 175.76 176.35 2r4i s ILE 121 N 1.19 4.78 0.00 0.00 -1.09 -0.95 -4.91 121.20 120.23 2r4i s ILE 121 Ca 0.63 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 2r4i s ILE 121 Cb -0.34 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.04 2r4i s ILE 121 CO 0.30 -1.15 0.00 0.61 -1.23 0.00 0.00 174.94 173.47