#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4i h GLN 3 N 0.00 1.09 -0.13 -3.83 4.15 -2.04 0.17 115.11 114.53 2r4i h GLN 3 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2r4i h GLN 3 Cb 0.00 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 2r4i h GLN 3 CO 0.00 0.74 0.08 -0.09 -1.93 0.00 0.00 178.83 177.63 2r4i h ARG 4 N 1.12 0.18 -0.44 1.69 2.43 -2.03 -1.81 114.38 115.51 2r4i h ARG 4 Ca 0.30 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2r4i h ARG 4 Cb -0.10 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2r4i h ARG 4 CO -0.06 0.16 0.06 -0.44 -1.51 0.00 0.00 179.97 178.18 2r4i h ASP 5 N 0.14 0.64 -0.30 -3.80 3.32 -1.88 -1.25 116.42 113.29 2r4i h ASP 5 Ca 0.05 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2r4i h ASP 5 Cb 0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2r4i h ASP 5 CO -0.01 0.67 0.18 0.58 -1.72 0.00 0.00 179.24 178.94 2r4i h VAL 6 N 0.66 1.11 -0.54 -1.35 2.07 -0.38 -1.47 116.25 116.35 2r4i h VAL 6 Ca 0.14 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2r4i h VAL 6 Cb 0.31 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2r4i h VAL 6 CO 0.00 0.11 -0.03 0.40 0.02 0.00 0.00 177.57 178.08 2r4i h ILE 7 N 0.38 1.26 -0.45 4.57 1.08 -1.07 -0.17 117.51 123.12 2r4i h ILE 7 Ca 0.11 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 2r4i h ILE 7 Cb 0.02 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2r4i h ILE 7 CO -0.02 0.40 0.17 -0.07 -0.69 0.00 0.00 178.15 177.94 2r4i h LEU 8 N 0.86 0.58 -0.30 1.44 3.38 -1.02 0.12 115.31 120.37 2r4i h LEU 8 Ca 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2r4i h LEU 8 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2r4i h LEU 8 CO 0.03 0.54 -0.06 -0.78 0.09 0.00 0.00 178.44 178.26 2r4i h ASP 9 N 0.64 0.57 -0.67 -0.43 3.58 -0.74 -1.82 116.42 117.55 2r4i h ASP 9 Ca 0.15 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.29 2r4i h ASP 9 Cb 0.14 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2r4i h ASP 9 CO -0.01 0.79 0.40 0.00 -2.88 0.00 0.00 179.24 177.54 2r4i h GLU 11 N 0.77 0.03 -0.65 0.00 4.39 -0.69 -0.10 114.58 118.32 2r4i h GLU 11 Ca 0.28 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.00 2r4i h GLU 11 Cb 0.08 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2r4i h GLU 11 CO -0.13 0.02 0.41 -0.22 -1.16 0.00 0.00 179.01 177.93 2r4i h LYS 12 N 0.03 0.79 -0.56 2.33 1.63 -0.93 0.62 116.57 120.47 2r4i h LYS 12 Ca 0.13 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2r4i h LYS 12 Cb 0.19 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2r4i h LYS 12 CO -0.25 0.52 0.24 0.87 -3.45 0.00 0.00 179.45 177.37 2r4i h LYS 13 N 0.81 0.83 -0.06 1.90 1.57 -1.05 -0.82 116.57 119.76 2r4i h LYS 13 Ca 0.26 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2r4i h LYS 13 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2r4i h LYS 13 CO -0.10 0.71 0.03 1.25 -0.57 0.00 0.00 179.45 180.77 2r4i h LEU 14 N 0.77 0.08 -0.93 2.94 5.85 -0.50 -0.82 115.31 122.69 2r4i h LEU 14 Ca 0.19 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2r4i h LEU 14 Cb 0.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2r4i h LEU 14 CO -0.02 0.16 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.03 2r4i h LEU 15 N -0.01 0.61 -0.61 2.25 3.38 -0.82 -1.25 115.31 118.86 2r4i h LEU 15 Ca 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2r4i h LEU 15 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2r4i h LEU 15 CO -0.00 0.78 0.29 0.74 0.09 0.00 0.00 178.44 180.33 2r4i h THR 16 N 0.57 1.22 -0.56 0.22 2.02 -1.09 -1.25 112.91 114.03 2r4i h THR 16 Ca 0.10 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 2r4i h THR 16 Cb 0.58 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2r4i h THR 16 CO 0.04 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.44 2r4i h ALA 17 N 1.12 0.72 -0.25 6.16 0.00 -0.65 -1.89 119.26 124.47 2r4i h ALA 17 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2r4i h ALA 17 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2r4i h ALA 17 CO -0.02 0.30 0.12 0.82 0.00 0.00 0.00 179.25 180.46 2r4i h ILE 18 N 0.76 1.14 -0.26 0.00 2.04 -1.14 0.28 117.51 120.33 2r4i h ILE 18 Ca 0.19 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2r4i h ILE 18 Cb 0.14 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2r4i h ILE 18 CO -0.02 0.14 -0.00 -0.61 0.00 0.00 0.00 178.15 177.66 2r4i h GLN 19 N 0.27 0.39 -0.61 2.37 4.15 -1.09 -2.99 115.11 117.60 2r4i h GLN 19 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2r4i h GLN 19 Cb 0.12 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2r4i h GLN 19 CO -0.01 0.42 0.00 0.09 -1.93 0.00 0.00 178.83 177.40 2r4i n ASN 20 N -4.33 3.99 -4.18 -0.69 5.03 -0.72 -4.38 115.26 109.99 2r4i n ASN 20 Ca 0.01 -2.18 -0.35 0.00 0.87 0.00 0.00 54.58 52.92 2r4i n ASN 20 Cb 0.21 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.49 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 1.16 -3.35 -4.51 6.41 3.02 -0.27 -4.86 115.26 112.85 2r4i n ASN 21 Ca 0.22 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.36 2r4i n ASN 21 Cb 0.68 -2.91 -0.01 0.00 -0.61 0.00 0.00 39.78 36.93 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 -3.35 6.77 0.47 6.41 -1.08 -0.07 -4.81 116.67 121.01 2r4i s ASP 22 Ca 0.70 -2.27 0.25 0.00 -0.52 0.00 0.00 52.55 50.71 2r4i s ASP 22 Cb -0.38 -2.48 1.12 0.00 -1.46 0.00 0.00 42.92 39.72 2r4i s ASP 22 CO 0.92 -1.11 1.92 -0.37 0.52 0.00 0.00 175.17 177.05 2r4i h VAL 23 N 5.67 0.58 -0.49 1.11 -1.51 -1.89 -1.99 116.25 117.73 2r4i h VAL 23 Ca 0.28 -0.92 -0.11 0.00 -1.23 0.00 0.00 66.70 64.73 2r4i h VAL 23 Cb 0.94 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 2r4i h VAL 23 CO 1.31 0.19 -0.11 -0.33 -1.23 0.00 0.00 177.57 177.40 2r4i h GLU 24 N 0.00 0.94 -0.18 5.19 3.07 -1.99 0.21 114.58 121.82 2r4i h GLU 24 Ca -0.00 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.44 2r4i h GLU 24 Cb 0.59 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2r4i h GLU 24 CO 0.03 1.02 -0.14 0.77 -1.40 0.00 0.00 179.01 179.28 2r4i h SER 25 N 0.79 0.43 -0.73 1.42 0.02 -1.86 -3.09 113.55 110.53 2r4i h SER 25 Ca 0.12 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2r4i h SER 25 Cb 0.67 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2r4i h SER 25 CO 0.05 0.79 0.49 -0.07 -1.14 0.00 0.00 176.83 176.95 2r4i h LEU 26 N 0.07 0.80 -1.24 5.07 3.38 -1.21 0.29 115.31 122.48 2r4i h LEU 26 Ca 0.03 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2r4i h LEU 26 Cb 0.66 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2r4i h LEU 26 CO 0.04 0.56 0.56 -0.08 0.09 0.00 0.00 178.44 179.60 2r4i h GLU 27 N 0.93 0.83 0.21 1.13 4.57 -0.89 -1.46 114.58 119.90 2r4i h GLU 27 Ca 0.28 -0.05 -0.33 0.00 -1.18 0.00 0.00 59.36 58.08 2r4i h GLU 27 Cb -0.01 -0.19 0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2r4i h GLU 27 CO -0.07 0.55 -1.56 0.28 -1.18 0.00 0.00 179.01 177.03 2r4i h VAL 28 N 0.86 1.12 -0.00 0.32 2.07 -1.21 -3.39 116.25 116.01 2r4i h VAL 28 Ca 0.40 -2.58 -0.17 0.00 0.82 0.00 0.00 66.70 65.17 2r4i h VAL 28 Cb 0.39 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2r4i h VAL 28 CO -0.16 0.82 -0.79 -0.07 0.02 0.00 0.00 177.57 177.39 2r4i h LEU 29 N 0.06 0.01 -9.33 2.57 3.38 -0.85 -3.44 115.31 107.70 2r4i h LEU 29 Ca -0.29 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.08 2r4i h LEU 29 Cb 2.07 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.73 2r4i h LEU 29 CO 0.21 0.80 -0.19 -0.76 0.09 0.00 0.00 178.44 178.59 2r4i s LEU 30 N -7.23 4.28 0.34 1.67 1.43 -0.56 -0.71 118.68 117.90 2r4i s LEU 30 Ca -0.00 0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 53.57 2r4i s LEU 30 Cb 0.11 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 2r4i s LEU 30 CO 0.79 0.04 1.10 -2.28 0.23 0.00 0.00 176.35 176.22 2r4i s HIS 31 N 0.52 3.39 0.40 0.29 5.65 -0.13 -4.83 115.29 120.59 2r4i s HIS 31 Ca 0.24 1.66 0.15 0.00 0.25 0.00 0.00 55.06 57.35 2r4i s HIS 31 Cb -0.15 -3.25 1.00 0.00 -1.18 0.00 0.00 32.58 29.00 2r4i s HIS 31 CO 0.09 -0.71 1.88 -0.44 -0.65 0.00 0.00 174.74 174.91 2r4i h ASP 32 N 3.19 0.46 -0.62 9.88 3.32 -1.91 -2.66 116.42 128.09 2r4i h ASP 32 Ca -0.48 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 2r4i h ASP 32 Cb 1.22 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2r4i h ASP 32 CO 0.65 0.22 0.07 0.47 -1.72 0.00 0.00 179.24 178.93 2r4i n ASP 33 N -4.51 5.51 -4.76 6.45 8.00 -1.26 -4.51 116.55 121.47 2r4i n ASP 33 Ca 0.17 -3.02 -0.31 0.00 0.71 0.00 0.00 54.79 52.34 2r4i n ASP 33 Cb 0.58 -0.70 0.09 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.84 3.07 -0.03 0.64 0.05 -1.01 -4.99 118.68 113.58 2r4i s LEU 34 Ca 0.55 1.89 0.05 0.00 0.05 0.00 0.00 54.13 56.68 2r4i s LEU 34 Cb 0.42 -4.53 -0.01 0.00 -2.05 0.00 0.00 46.19 40.02 2r4i s LEU 34 CO 0.15 -2.08 -0.19 -0.76 -0.55 0.00 0.00 176.35 172.92 2r4i s LEU 35 N -5.82 2.00 0.01 1.48 1.43 -1.17 -4.25 118.68 112.35 2r4i s LEU 35 Ca 0.63 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2r4i s LEU 35 Cb -0.18 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2r4i s LEU 35 CO 0.54 0.21 -0.20 0.12 0.23 0.00 0.00 176.35 177.25 2r4i s PHE 36 N -0.27 1.74 -0.11 0.29 5.36 -0.21 -2.23 117.98 122.54 2r4i s PHE 36 Ca 0.03 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.64 2r4i s PHE 36 Cb -0.09 -1.09 -0.03 0.00 -0.34 0.00 0.00 43.02 41.47 2r4i s PHE 36 CO 0.00 0.02 -0.04 0.42 -1.46 0.00 0.00 175.22 174.16 2r4i s ILE 37 N -0.59 3.94 0.38 3.12 1.01 -0.41 0.08 121.20 128.73 2r4i s ILE 37 Ca 0.07 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2r4i s ILE 37 Cb -0.08 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2r4i s ILE 37 CO 0.00 0.55 0.21 0.27 0.00 0.00 0.00 174.94 175.98 2r4i s ILE 38 N -0.28 2.74 0.56 2.92 -4.36 -0.81 -1.69 121.20 120.28 2r4i s ILE 38 Ca 0.05 -1.60 0.29 0.00 -0.26 0.00 0.00 60.65 59.13 2r4i s ILE 38 Cb -0.13 -3.00 0.41 0.00 1.25 0.00 0.00 42.46 40.99 2r4i s ILE 38 CO 0.02 -0.08 1.93 -0.65 0.24 0.00 0.00 174.94 176.40 2r4i h PRO 39 N 1.38 0.00 0.00 0.37 0.11 -1.90 0.37 132.00 132.33 2r4i h PRO 39 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 2r4i n SER 40 N -4.01 0.00 0.00 -2.05 3.41 -1.26 -4.88 113.62 104.84 2r4i n SER 40 Ca 0.11 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2r4i n SER 40 Cb 0.71 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.43 0.88 3.80 5.00 0.00 0.12 -5.06 105.19 110.36 2r4i n GLY 41 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 3.66 -0.22 1.61 2.02 -1.26 -4.78 118.70 119.15 2r4i s GLU 42 Ca 0.00 1.33 -0.10 0.00 0.02 0.00 0.00 54.97 56.22 2r4i s GLU 42 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2r4i s GLU 42 CO 0.00 -0.54 0.14 0.99 0.02 0.00 0.00 175.26 175.87 2r4i s THR 43 N -2.10 5.35 -0.06 3.63 2.01 -1.26 -1.93 115.64 121.28 2r4i s THR 43 Ca 0.66 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.87 2r4i s THR 43 Cb -0.16 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2r4i s THR 43 CO 0.25 0.39 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 2r4i s VAL 44 N 0.71 2.86 0.40 3.82 1.01 0.11 -4.95 120.40 124.36 2r4i s VAL 44 Ca 0.08 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2r4i s VAL 44 Cb -0.12 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2r4i s VAL 44 CO 0.01 0.58 0.57 0.42 0.00 0.00 0.00 175.10 176.68 2r4i s THR 45 N -0.46 3.99 0.20 3.92 -4.23 -1.26 -1.05 115.64 116.75 2r4i s THR 45 Ca 0.06 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 2r4i s THR 45 Cb -0.12 -3.43 0.12 0.00 1.34 0.00 0.00 72.50 70.42 2r4i s THR 45 CO 0.02 -0.23 1.75 0.50 -0.54 0.00 0.00 174.62 176.12 2r4i h LYS 46 N 0.63 0.40 -0.25 3.99 3.64 -1.79 -1.36 116.57 121.84 2r4i h LYS 46 Ca -0.46 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 2r4i h LYS 46 Cb 1.26 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 2r4i h LYS 46 CO 0.55 0.27 -0.06 0.93 -2.27 0.00 0.00 179.45 178.87 2r4i h GLU 47 N 0.42 0.00 -0.62 1.90 5.08 -1.96 0.33 114.58 119.72 2r4i h GLU 47 Ca 0.28 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2r4i h GLU 47 Cb 0.31 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2r4i h GLU 47 CO -0.27 0.00 0.29 1.15 -1.00 0.00 0.00 179.01 179.19 2r4i h THR 48 N 0.00 1.22 0.05 1.13 2.02 -1.90 -1.08 112.91 114.35 2r4i h THR 48 Ca 0.12 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2r4i h THR 48 Cb 0.18 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2r4i h THR 48 CO -0.26 0.25 -0.03 -0.78 0.37 0.00 0.00 175.52 175.08 2r4i h ASP 49 N 0.86 -0.06 -0.90 4.18 3.58 -0.92 -2.10 116.42 121.06 2r4i h ASP 49 Ca 0.21 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2r4i h ASP 49 Cb 0.13 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 2r4i h ASP 49 CO -0.03 0.16 0.52 0.40 -2.88 0.00 0.00 179.24 177.41 2r4i h ILE 50 N -0.28 1.25 -0.97 2.25 2.04 -0.89 -2.12 117.51 118.79 2r4i h ILE 50 Ca -0.01 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.35 2r4i h ILE 50 Cb 0.25 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 2r4i h ILE 50 CO 0.01 0.28 0.62 0.00 0.00 0.00 0.00 178.15 179.06 2r4i h ALA 51 N 1.28 1.50 -0.24 1.87 0.00 -1.05 0.25 119.26 122.87 2r4i h ALA 51 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2r4i h ALA 51 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2r4i h ALA 51 CO -0.06 0.33 0.10 0.00 0.00 0.00 0.00 179.25 179.62 2r4i h ALA 52 N 1.50 0.31 -0.47 0.00 0.00 -0.71 -0.48 119.26 119.41 2r4i h ALA 52 Ca 0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2r4i h ALA 52 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2r4i h ALA 52 CO -0.19 -0.10 -0.05 1.88 0.00 0.00 0.00 179.25 180.79 2r4i h TYR 53 N 0.23 0.88 0.00 0.00 0.05 -1.13 -2.93 116.97 114.07 2r4i h TYR 53 Ca 0.08 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 2r4i h TYR 53 Cb 0.18 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2r4i h TYR 53 CO -0.01 0.83 -0.37 0.77 -1.05 0.00 0.00 178.16 178.33 2r4i h SER 54 N 0.75 0.00 0.30 3.88 0.02 -0.82 -3.16 113.55 114.52 2r4i h SER 54 Ca 0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2r4i h SER 54 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2r4i h SER 54 CO 0.03 0.37 -0.02 0.77 -1.14 0.00 0.00 176.83 176.85 2r4i h SER 55 N 0.00 0.00 0.00 3.07 4.64 -0.88 -3.47 113.55 116.91 2r4i h SER 55 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r4i h SER 55 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2r4i h SER 55 CO 0.05 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2r4i n GLY 56 N -0.77 1.16 0.16 -0.77 0.00 -1.20 -4.91 105.19 98.87 2r4i n GLY 56 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.97 -3.89 1.61 4.01 -1.26 -4.65 118.16 112.95 2r4i n LYS 57 Ca 0.00 -0.33 -0.35 0.00 -0.51 0.00 0.00 58.31 57.12 2r4i n LYS 57 Cb 0.00 -1.49 -0.14 0.00 -0.51 0.00 0.00 35.03 32.89 2r4i n LYS 57 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2r4i s ILE 58 N -2.26 3.35 -0.39 -0.18 1.01 -1.26 -4.15 121.20 117.32 2r4i s ILE 58 Ca 0.36 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2r4i s ILE 58 Cb 0.21 -2.62 0.15 0.00 0.01 0.00 0.00 42.46 40.21 2r4i s ILE 58 CO 0.42 0.29 0.26 0.00 0.00 0.00 0.00 174.94 175.91 2r4i s ALA 59 N 1.44 1.34 -0.11 9.38 0.00 0.40 -4.91 121.76 129.29 2r4i s ALA 59 Ca 0.04 -2.20 -0.21 0.00 0.00 0.00 0.00 51.96 49.59 2r4i s ALA 59 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2r4i s ALA 59 CO -0.02 -2.07 0.59 -0.51 0.00 0.00 0.00 175.76 173.75 2r4i s LEU 60 N 0.61 4.27 -0.06 0.00 1.43 -1.26 -0.99 118.68 122.67 2r4i s LEU 60 Ca 0.22 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 2r4i s LEU 60 Cb -0.15 -2.88 -0.30 0.00 0.03 0.00 0.00 46.19 42.89 2r4i s LEU 60 CO -0.05 -0.09 0.67 0.03 0.23 0.00 0.00 176.35 177.13 2r4i h ARG 61 N 6.87 0.35 -3.47 1.70 3.08 -0.93 -3.45 114.38 118.53 2r4i h ARG 61 Ca -0.39 -0.60 -0.24 0.00 0.07 0.00 0.00 59.98 58.82 2r4i h ARG 61 Cb 1.18 0.22 -0.30 0.00 0.08 0.00 0.00 29.97 31.16 2r4i h ARG 61 CO 0.76 1.29 -0.64 0.00 -1.07 0.00 0.00 179.97 180.30 2r4i s ALA 62 N -2.54 -0.15 -0.35 0.04 0.00 -0.94 -5.00 121.76 112.83 2r4i s ALA 62 Ca -0.17 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2r4i s ALA 62 Cb 0.05 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.06 2r4i s ALA 62 CO 0.83 -0.08 0.17 0.08 0.00 0.00 0.00 175.76 176.77 2r4i s VAL 63 N 0.52 0.54 -0.27 0.00 1.01 -1.26 -1.47 120.40 119.47 2r4i s VAL 63 Ca -0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 2r4i s VAL 63 Cb -0.06 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2r4i s VAL 63 CO -0.02 -0.84 0.01 -0.69 0.00 0.00 0.00 175.10 173.55 2r4i s VAL 64 N 1.26 3.36 0.32 2.92 1.01 -0.15 -4.94 120.40 124.18 2r4i s VAL 64 Ca 0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2r4i s VAL 64 Cb -0.21 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 2r4i s VAL 64 CO -0.13 0.12 0.64 -2.16 0.00 0.00 0.00 175.10 173.56 2r4i s PRO 65 N 1.39 3.74 0.14 2.72 0.04 -1.26 -1.17 135.00 140.60 2r4i s PRO 65 Ca 0.01 0.26 -0.24 0.00 0.04 0.00 0.00 61.00 61.06 2r4i s PRO 65 Cb -0.17 -2.55 0.07 0.00 0.04 0.00 0.00 34.50 31.89 2r4i s PRO 65 CO -0.01 0.15 0.74 -1.54 0.04 0.00 0.00 177.00 176.37 2r4i s SER 66 N -2.94 -0.42 -1.32 6.66 1.04 -0.05 -4.99 113.70 111.69 2r4i s SER 66 Ca 0.48 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 2r4i s SER 66 Cb -0.11 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.58 2r4i s SER 66 CO 0.28 -0.94 1.07 -0.67 0.98 0.00 0.00 173.24 173.96 2r4i n ASP 67 N -0.37 -4.34 -4.73 7.02 2.03 -1.26 -1.19 116.55 113.71 2r4i n ASP 67 Ca -0.11 -0.61 -0.42 0.00 0.52 0.00 0.00 54.79 54.16 2r4i n ASP 67 Cb 0.63 -4.90 -0.02 0.00 -0.72 0.00 0.00 41.12 36.11 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 -4.62 2.64 -4.01 -0.67 4.01 -1.26 -4.40 117.16 108.85 2r4i n TYR 68 Ca -0.12 0.35 -0.27 0.00 -0.16 0.00 0.00 57.90 57.70 2r4i n TYR 68 Cb 0.60 -2.54 -0.17 0.00 -0.31 0.00 0.00 39.34 36.93 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 -0.25 1.18 0.01 -0.72 1.01 0.09 -5.02 121.20 117.50 2r4i s ILE 69 Ca 0.63 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.93 2r4i s ILE 69 Cb -0.54 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2r4i s ILE 69 CO 0.52 0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 175.07 2r4i s ILE 70 N 1.55 1.15 -0.07 2.92 1.01 -1.26 -0.48 121.20 126.02 2r4i s ILE 70 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2r4i s ILE 70 Cb -0.13 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.36 2r4i s ILE 70 CO -0.08 0.21 -0.12 -0.13 0.00 0.00 0.00 174.94 174.82 2r4i s ARG 71 N -0.65 1.69 -0.23 2.79 1.81 -0.16 -5.00 118.95 119.20 2r4i s ARG 71 Ca 0.04 -0.41 -0.08 0.00 -1.72 0.00 0.00 55.73 53.57 2r4i s ARG 71 Cb -0.06 -1.41 -0.04 0.00 -0.45 0.00 0.00 34.95 32.99 2r4i s ARG 71 CO 0.00 0.02 0.09 0.42 -0.68 0.00 0.00 175.30 175.14 2r4i s ILE 72 N 0.70 4.65 -0.49 1.52 1.01 -1.26 -0.75 121.20 126.58 2r4i s ILE 72 Ca -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2r4i s ILE 72 Cb -0.16 -3.15 0.16 0.00 0.01 0.00 0.00 42.46 39.32 2r4i s ILE 72 CO 0.03 0.37 0.35 -0.63 0.00 0.00 0.00 174.94 175.06 2r4i s ILE 73 N 1.20 1.23 0.00 2.92 1.01 0.58 -5.02 121.20 123.12 2r4i s ILE 73 Ca 0.05 -3.00 0.00 0.00 0.00 0.00 0.00 60.65 57.70 2r4i s ILE 73 Cb -0.14 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2r4i s ILE 73 CO 0.04 -1.08 0.00 1.41 0.00 0.00 0.00 174.94 175.30 2r4i n HIS 74 N 2.85 0.00 0.35 3.97 8.25 -1.26 -1.83 115.22 127.55 2r4i n HIS 74 Ca 0.21 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.73 2r4i n HIS 74 Cb 0.41 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.73 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 10.12 2.87 -4.08 0.41 5.75 -1.26 -4.85 116.55 125.50 2r4i n ASP 75 Ca 0.00 -2.21 -0.20 0.00 -0.01 0.00 0.00 54.79 52.37 2r4i n ASP 75 Cb 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.66 0.95 -0.07 2.12 2.01 -0.76 -1.68 115.64 116.55 2r4i s THR 76 Ca 0.30 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2r4i s THR 76 Cb 0.19 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.90 2r4i s THR 76 CO 0.15 0.20 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.49 2r4i s VAL 77 N -0.41 1.06 -0.19 3.82 1.01 -0.01 -0.31 120.40 125.36 2r4i s VAL 77 Ca 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2r4i s VAL 77 Cb -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2r4i s VAL 77 CO -0.00 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.83 2r4i s VAL 78 N 0.92 4.93 -0.08 2.92 1.01 0.07 -0.91 120.40 129.27 2r4i s VAL 78 Ca -0.10 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2r4i s VAL 78 Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2r4i s VAL 78 CO 0.01 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 2r4i s VAL 79 N 0.42 1.55 -0.11 2.92 1.01 0.22 -0.99 120.40 125.42 2r4i s VAL 79 Ca 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2r4i s VAL 79 Cb -0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2r4i s VAL 79 CO -0.00 0.45 -0.20 -0.55 0.00 0.00 0.00 175.10 174.79 2r4i s SER 80 N 0.44 3.39 -0.08 3.32 0.15 0.37 -0.82 113.70 120.46 2r4i s SER 80 Ca -0.15 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 55.86 2r4i s SER 80 Cb -0.16 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.71 2r4i s SER 80 CO 0.06 0.16 0.37 0.54 1.20 0.00 0.00 173.24 175.57 2r4i s VAL 81 N 0.36 0.02 -0.10 4.45 0.11 -0.34 -0.73 120.40 124.16 2r4i s VAL 81 Ca -0.16 -0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 58.45 2r4i s VAL 81 Cb -0.17 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 2r4i s VAL 81 CO 0.08 -0.11 0.76 0.21 -3.33 0.00 0.00 175.10 172.71 2r4i s ASN 82 N -0.52 6.98 -0.10 3.54 2.47 -0.33 -0.84 114.94 126.14 2r4i s ASN 82 Ca -0.06 1.19 0.01 0.00 0.42 0.00 0.00 52.86 54.42 2r4i s ASN 82 Cb -0.04 -2.43 0.02 0.00 -1.45 0.00 0.00 41.25 37.35 2r4i s ASN 82 CO 0.03 -0.23 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.43 2r4i s ILE 83 N 1.33 1.21 -0.23 -5.21 -1.09 0.37 -0.87 121.20 116.71 2r4i s ILE 83 Ca 0.38 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 58.25 2r4i s ILE 83 Cb -0.17 -1.15 -0.05 0.00 -1.58 0.00 0.00 42.46 39.51 2r4i s ILE 83 CO 0.17 0.39 0.13 -0.70 -1.23 0.00 0.00 174.94 173.70 2r4i s GLU 84 N 1.22 4.01 -0.06 2.79 2.12 -0.32 -0.82 118.70 127.65 2r4i s GLU 84 Ca -0.03 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2r4i s GLU 84 Cb -0.14 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 2r4i s GLU 84 CO -0.03 0.08 -0.20 0.42 -0.54 0.00 0.00 175.26 174.98 2r4i s ILE 85 N 0.98 1.66 -0.06 -3.70 1.01 0.13 -0.97 121.20 120.24 2r4i s ILE 85 Ca 0.07 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2r4i s ILE 85 Cb -0.13 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.92 2r4i s ILE 85 CO 0.04 0.47 -0.13 -0.54 0.00 0.00 0.00 174.94 174.78 2r4i s LYS 86 N 0.13 1.73 0.00 2.79 1.02 -0.54 -1.40 119.74 123.47 2r4i s LYS 86 Ca -0.08 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2r4i s LYS 86 Cb -0.14 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 2r4i s LYS 86 CO 0.04 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 2r4i n GLY 87 N 3.70 -0.42 3.65 -3.33 0.00 -0.72 -0.25 105.19 107.82 2r4i n GLY 87 Ca -0.22 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 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 3.83 0.00 1.61 0.41 -0.16 -0.11 118.70 122.27 2r4i s GLU 88 Ca 0.00 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 2r4i s GLU 88 Cb 0.00 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2r4i s GLU 88 CO 0.00 0.36 0.13 0.98 -0.49 0.00 0.00 175.26 176.24 2r4i n TYR 89 N 3.27 0.00 0.00 1.61 4.19 -1.26 -0.46 117.16 124.51 2r4i n TYR 89 Ca -0.17 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.04 2r4i n TYR 89 Cb 0.53 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.36 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 -4.90 2.98 -0.58 -1.26 -4.65 120.64 112.19 2r4i n GLU 91 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 2r4i n GLU 91 Cb 0.16 -0.56 -0.13 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.02 2.59 -0.25 -0.32 3.76 -1.26 -5.10 115.29 114.70 2r4i s HIS 92 Ca 0.00 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.52 2r4i s HIS 92 Cb 0.00 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 2r4i s HIS 92 CO 0.00 0.16 0.38 0.99 -0.85 0.00 0.00 174.74 175.43 2r4i s THR 93 N -0.77 5.18 -0.05 1.30 2.01 -1.26 -4.53 115.64 117.52 2r4i s THR 93 Ca 0.12 0.61 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 2r4i s THR 93 Cb -0.10 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2r4i s THR 93 CO 0.02 0.18 0.32 -0.76 -0.69 0.00 0.00 174.62 173.69 2r4i s LEU 94 N 1.85 4.43 -0.48 4.42 1.43 0.84 -4.95 118.68 126.20 2r4i s LEU 94 Ca 0.16 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 2r4i s LEU 94 Cb -0.15 -2.42 0.21 0.00 0.03 0.00 0.00 46.19 43.86 2r4i s LEU 94 CO 0.09 0.32 0.73 -0.67 0.23 0.00 0.00 176.35 177.06 2r4i n ASP 95 N 2.06 -2.59 -3.90 2.29 2.03 -1.20 -1.76 116.55 113.48 2r4i n ASP 95 Ca -0.15 -3.00 -0.09 0.00 0.52 0.00 0.00 54.79 52.07 2r4i n ASP 95 Cb 0.53 1.32 -0.08 0.00 -0.72 0.00 0.00 41.12 42.18 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 -0.43 0.15 -0.02 1.67 -0.87 -0.49 -5.00 114.94 109.96 2r4i s ASN 96 Ca 0.32 -0.72 0.03 0.00 -1.57 0.00 0.00 52.86 50.92 2r4i s ASN 96 Cb 0.11 0.33 -0.03 0.00 -0.02 0.00 0.00 41.25 41.65 2r4i s ASN 96 CO -0.15 -0.73 -0.10 -0.89 -2.57 0.00 0.00 177.10 172.66 2r4i s THR 97 N -3.88 3.42 0.04 1.60 2.01 -1.26 -0.70 115.64 116.87 2r4i s THR 97 Ca 0.07 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2r4i s THR 97 Cb 0.05 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2r4i s THR 97 CO -0.09 0.48 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.90 2r4i s PHE 98 N -0.89 0.47 -0.25 4.92 0.40 0.00 -1.54 117.98 121.09 2r4i s PHE 98 Ca 0.14 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.81 2r4i s PHE 98 Cb -0.11 -0.31 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 2r4i s PHE 98 CO 0.04 -0.17 0.07 0.50 0.70 0.00 0.00 175.22 176.36 2r4i s ARG 99 N -1.88 3.58 -0.10 0.44 6.06 0.46 -0.48 118.95 127.04 2r4i s ARG 99 Ca -0.10 -0.53 -0.05 0.00 -2.50 0.00 0.00 55.73 52.56 2r4i s ARG 99 Cb -0.07 -3.32 -0.04 0.00 0.06 0.00 0.00 34.95 31.58 2r4i s ARG 99 CO -0.02 -0.22 0.10 0.71 -2.50 0.00 0.00 175.30 173.37 2r4i s TYR 100 N 1.60 3.45 -0.12 5.12 1.51 -0.02 -0.93 117.35 127.95 2r4i s TYR 100 Ca 0.06 0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 56.49 2r4i s TYR 100 Cb -0.15 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 2r4i s TYR 100 CO 0.03 0.64 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.93 2r4i s LEU 101 N -1.09 3.41 0.00 -1.29 2.96 -0.32 -1.20 118.68 121.15 2r4i s LEU 101 Ca 0.16 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2r4i s LEU 101 Cb -0.12 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2r4i s LEU 101 CO 0.05 0.27 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.19 2r4i s ARG 102 N -0.24 0.22 -0.20 1.98 0.52 0.00 -1.22 118.95 120.01 2r4i s ARG 102 Ca 0.05 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2r4i s ARG 102 Cb -0.13 -0.15 0.03 0.00 0.52 0.00 0.00 34.95 35.22 2r4i s ARG 102 CO 0.02 0.04 -0.17 0.08 0.02 0.00 0.00 175.30 175.29 2r4i s VAL 103 N -0.32 2.09 -0.11 3.52 1.01 -0.11 -0.61 120.40 125.86 2r4i s VAL 103 Ca -0.02 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 2r4i s VAL 103 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2r4i s VAL 103 CO -0.00 0.37 0.13 0.26 0.00 0.00 0.00 175.10 175.86 2r4i s TRP 104 N 1.24 3.56 0.01 5.22 0.52 -0.09 -0.81 118.94 128.59 2r4i s TRP 104 Ca 0.01 0.49 -0.00 0.00 0.02 0.00 0.00 56.10 56.62 2r4i s TRP 104 Cb -0.15 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2r4i s TRP 104 CO -0.11 0.71 -0.02 0.21 0.02 0.00 0.00 176.95 177.77 2r4i s LYS 105 N -1.04 0.24 -0.04 4.98 2.20 0.02 -0.83 119.74 125.27 2r4i s LYS 105 Ca 0.15 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 55.05 2r4i s LYS 105 Cb -0.12 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 2r4i s LYS 105 CO 0.04 -0.04 0.78 -0.51 -0.36 0.00 0.00 175.35 175.26 2r4i s LEU 106 N -1.12 4.34 -0.39 5.43 1.43 -0.68 -1.00 118.68 126.69 2r4i s LEU 106 Ca -0.12 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2r4i s LEU 106 Cb -0.08 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 43.04 2r4i s LEU 106 CO -0.01 -0.14 0.14 -0.36 0.23 0.00 0.00 176.35 176.21 2r4i s PHE 107 N 0.77 2.91 -1.20 0.29 0.08 0.32 -4.82 117.98 116.33 2r4i s PHE 107 Ca 0.41 -2.68 -0.29 0.00 0.12 0.00 0.00 56.93 54.49 2r4i s PHE 107 Cb -0.19 -2.48 0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2r4i s PHE 107 CO 0.21 -0.86 0.71 -0.25 -0.10 0.00 0.00 175.22 174.93 2r4i n ASP 108 N 4.01 -4.43 0.00 1.36 8.00 -1.26 -1.59 116.55 122.64 2r4i n ASP 108 Ca 0.04 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2r4i n ASP 108 Cb 0.39 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 2r4i n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r4i n GLY 109 N -1.96 1.92 3.36 0.44 0.00 -1.26 -5.02 105.19 102.67 2r4i n GLY 109 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.42 4.27 0.06 1.61 0.01 -0.62 -5.09 114.94 111.75 2r4i s ASN 110 Ca 0.00 -0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 2r4i s ASN 110 Cb 0.00 -1.70 -0.05 0.00 0.41 0.00 0.00 41.25 39.92 2r4i s ASN 110 CO 0.00 0.08 0.94 0.26 -1.51 0.00 0.00 177.10 176.88 2r4i s TRP 111 N 0.85 3.74 0.02 2.20 0.52 -1.26 -0.52 118.94 124.49 2r4i s TRP 111 Ca -0.02 1.71 0.01 0.00 0.02 0.00 0.00 56.10 57.82 2r4i s TRP 111 Cb -0.15 -3.05 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 2r4i s TRP 111 CO 0.01 0.12 -0.04 0.15 0.02 0.00 0.00 176.95 177.21 2r4i s LYS 112 N 0.41 0.34 -0.19 4.98 1.02 -0.17 -4.79 119.74 121.35 2r4i s LYS 112 Ca 0.48 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 2r4i s LYS 112 Cb -0.22 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2r4i s LYS 112 CO 0.28 0.01 1.06 0.08 -0.92 0.00 0.00 175.35 175.86 2r4i s VAL 113 N -1.08 4.65 -0.51 3.17 1.01 0.12 -0.80 120.40 126.96 2r4i s VAL 113 Ca -0.10 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.00 2r4i s VAL 113 Cb -0.08 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.85 2r4i s VAL 113 CO -0.00 -0.12 0.55 2.30 0.00 0.00 0.00 175.10 177.82 2r4i n ILE 114 N 5.11 0.00 -3.56 2.22 -5.35 0.01 -0.96 119.36 116.83 2r4i n ILE 114 Ca 0.11 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 2r4i n ILE 114 Cb 0.47 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 39.08 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 -2.59 -1.91 -0.07 -1.28 0.00 -1.24 -3.06 121.76 111.60 2r4i s ALA 115 Ca 0.02 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 2r4i s ALA 115 Cb 0.11 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 22.94 2r4i s ALA 115 CO 0.62 -0.42 1.36 0.20 0.00 0.00 0.00 175.76 177.52 2r4i s GLY 116 N -1.51 -0.26 0.14 0.00 0.00 -0.95 -0.94 107.32 103.81 2r4i s GLY 116 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 2r4i s GLY 116 CO -0.01 5.24 0.59 -1.35 0.00 0.00 0.00 173.10 177.57 2r4i s SER 117 N -3.73 -0.55 -0.14 1.64 1.04 -0.36 -1.28 113.70 110.31 2r4i s SER 117 Ca 0.28 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2r4i s SER 117 Cb 0.01 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2r4i s SER 117 CO -0.03 -0.92 -0.15 0.00 0.98 0.00 0.00 173.24 173.12 2r4i s THR 119 N 1.41 2.66 0.08 0.00 2.01 -0.10 -3.37 115.64 118.33 2r4i s THR 119 Ca 0.03 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 2r4i s THR 119 Cb -0.13 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 2r4i s THR 119 CO -0.09 0.51 1.21 0.00 -0.69 0.00 0.00 174.62 175.55 2r4i s ALA 120 N 0.91 3.41 -1.55 7.40 0.00 -1.26 -0.40 121.76 130.26 2r4i s ALA 120 Ca -0.03 0.88 0.12 0.00 0.00 0.00 0.00 51.96 52.93 2r4i s ALA 120 Cb -0.15 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.62 2r4i s ALA 120 CO -0.02 -0.43 0.89 -0.89 0.00 0.00 0.00 175.76 175.32