#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 0.00 -0.38 1.20 1.08 -2.02 -2.62 115.11 112.37 2r4i h GLN 3 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2r4i h GLN 3 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2r4i h GLN 3 CO 0.00 0.19 0.10 -0.09 -0.95 0.00 0.00 178.83 178.08 2r4i h ARG 4 N 0.00 0.61 -0.56 1.46 2.43 -2.01 0.15 114.38 116.45 2r4i h ARG 4 Ca -0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 2r4i h ARG 4 Cb 0.41 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2r4i h ARG 4 CO 0.02 0.63 0.11 -0.44 -1.51 0.00 0.00 179.97 178.79 2r4i h ASP 5 N 0.47 0.82 -0.12 -3.80 5.19 -1.93 -0.02 116.42 117.04 2r4i h ASP 5 Ca 0.12 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2r4i h ASP 5 Cb 0.29 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2r4i h ASP 5 CO -0.00 0.82 0.06 0.58 -3.12 0.00 0.00 179.24 177.58 2r4i h VAL 6 N 0.84 1.09 -0.57 -1.35 2.07 -1.20 -1.53 116.25 115.60 2r4i h VAL 6 Ca 0.18 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2r4i h VAL 6 Cb 0.34 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2r4i h VAL 6 CO 0.00 0.08 0.12 0.40 0.02 0.00 0.00 177.57 178.19 2r4i h ILE 7 N 0.09 1.24 -0.44 4.57 1.08 -0.74 -0.93 117.51 122.38 2r4i h ILE 7 Ca 0.04 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 2r4i h ILE 7 Cb 0.08 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2r4i h ILE 7 CO -0.01 0.33 0.24 -0.07 -0.69 0.00 0.00 178.15 177.95 2r4i h LEU 8 N 0.85 0.53 -0.26 1.44 3.38 -0.60 0.81 115.31 121.46 2r4i h LEU 8 Ca 0.18 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 2r4i h LEU 8 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2r4i h LEU 8 CO 0.00 0.44 -0.58 -0.78 0.09 0.00 0.00 178.44 177.61 2r4i h ASP 9 N 0.61 0.96 -0.65 -0.43 3.58 -0.53 -1.27 116.42 118.69 2r4i h ASP 9 Ca 0.16 -0.55 0.03 0.00 0.42 0.00 0.00 57.03 57.08 2r4i h ASP 9 Cb 0.02 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 2r4i h ASP 9 CO -0.03 1.34 0.40 0.00 -2.88 0.00 0.00 179.24 178.07 2r4i h GLU 11 N 0.78 0.52 -0.94 0.00 4.39 -0.77 -0.68 114.58 117.88 2r4i h GLU 11 Ca 0.26 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 2r4i h GLU 11 Cb 0.04 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 2r4i h GLU 11 CO -0.11 0.34 0.57 -0.22 -1.16 0.00 0.00 179.01 178.43 2r4i h LYS 12 N 0.53 1.28 -0.52 2.33 1.63 -0.71 -0.67 116.57 120.45 2r4i h LYS 12 Ca 0.17 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.75 2r4i h LYS 12 Cb 0.00 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 2r4i h LYS 12 CO -0.07 0.89 -0.10 0.87 -3.45 0.00 0.00 179.45 177.58 2r4i h LYS 13 N 1.30 0.98 -0.12 1.90 1.57 -1.03 -2.24 116.57 118.92 2r4i h LYS 13 Ca 0.34 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2r4i h LYS 13 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2r4i h LYS 13 CO -0.06 1.04 0.05 1.25 -0.57 0.00 0.00 179.45 181.16 2r4i h LEU 14 N 0.85 0.17 -0.81 2.94 5.85 -0.75 -1.66 115.31 121.90 2r4i h LEU 14 Ca 0.13 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2r4i h LEU 14 Cb 0.66 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2r4i h LEU 14 CO 0.05 0.28 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.29 2r4i h LEU 15 N 0.05 0.80 -0.42 2.25 3.38 -1.08 -1.45 115.31 118.85 2r4i h LEU 15 Ca 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2r4i h LEU 15 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2r4i h LEU 15 CO -0.00 0.91 0.27 0.74 0.09 0.00 0.00 178.44 180.45 2r4i h THR 16 N 0.75 1.10 -0.65 0.22 2.02 -1.38 -0.40 112.91 114.57 2r4i h THR 16 Ca 0.13 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2r4i h THR 16 Cb 0.55 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2r4i h THR 16 CO 0.03 0.10 0.20 0.00 0.37 0.00 0.00 175.52 176.22 2r4i h ALA 17 N 1.15 0.85 -0.04 6.16 0.00 -0.97 -0.40 119.26 126.02 2r4i h ALA 17 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2r4i h ALA 17 Cb -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2r4i h ALA 17 CO -0.04 0.53 0.02 0.82 0.00 0.00 0.00 179.25 180.58 2r4i h ILE 18 N 0.94 1.12 -0.62 0.00 2.04 -1.03 0.38 117.51 120.34 2r4i h ILE 18 Ca 0.21 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.74 2r4i h ILE 18 Cb 0.30 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2r4i h ILE 18 CO -0.01 0.10 0.39 -0.61 0.00 0.00 0.00 178.15 178.02 2r4i h GLN 19 N -0.08 0.74 -0.02 2.37 4.15 -0.90 -2.62 115.11 118.76 2r4i h GLN 19 Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2r4i h GLN 19 Cb 0.14 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2r4i h GLN 19 CO -0.00 0.49 0.00 0.09 -1.93 0.00 0.00 178.83 177.48 2r4i n ASN 20 N -4.71 0.39 -3.72 -0.69 5.03 -0.18 -4.45 115.26 106.93 2r4i n ASN 20 Ca 0.05 -1.27 -0.28 0.00 0.87 0.00 0.00 54.58 53.95 2r4i n ASN 20 Cb 0.07 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 38.82 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 -0.63 -4.35 -4.52 6.41 3.02 -0.52 -4.87 115.26 109.81 2r4i n ASN 21 Ca 0.19 -0.65 -0.43 0.00 -0.03 0.00 0.00 54.58 53.66 2r4i n ASN 21 Cb 0.15 -3.52 -0.01 0.00 -0.61 0.00 0.00 39.78 35.79 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 -3.06 6.78 0.32 6.41 2.15 0.01 -4.84 116.67 124.44 2r4i s ASP 22 Ca 0.57 -2.28 0.01 0.00 0.43 0.00 0.00 52.55 51.27 2r4i s ASP 22 Cb -0.29 -2.50 0.52 0.00 -0.30 0.00 0.00 42.92 40.35 2r4i s ASP 22 CO 0.70 -1.12 1.91 0.58 -0.17 0.00 0.00 175.17 177.07 2r4i h VAL 23 N 5.67 1.20 -0.94 1.11 2.07 -1.89 -2.59 116.25 120.88 2r4i h VAL 23 Ca 0.31 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2r4i h VAL 23 Cb 0.93 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2r4i h VAL 23 CO 1.34 0.24 0.62 -0.33 0.02 0.00 0.00 177.57 179.46 2r4i h GLU 24 N 0.80 1.23 -0.46 1.57 3.07 -1.99 -0.52 114.58 118.28 2r4i h GLU 24 Ca 0.19 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 2r4i h GLU 24 Cb 0.13 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2r4i h GLU 24 CO -0.02 0.81 -0.19 0.77 -1.40 0.00 0.00 179.01 178.98 2r4i h SER 25 N 1.26 0.96 -0.28 1.42 0.02 -1.93 -3.10 113.55 111.91 2r4i h SER 25 Ca 0.35 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2r4i h SER 25 Cb -0.13 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.12 2r4i h SER 25 CO -0.08 1.14 0.04 -0.07 -1.14 0.00 0.00 176.83 176.72 2r4i h LEU 26 N 0.78 0.53 -1.62 5.07 3.38 -1.11 -0.50 115.31 121.84 2r4i h LEU 26 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2r4i h LEU 26 Cb 0.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2r4i h LEU 26 CO 0.06 0.57 0.06 -0.08 0.09 0.00 0.00 178.44 179.14 2r4i h GLU 27 N 0.55 0.30 0.09 1.13 4.57 -1.03 -1.33 114.58 118.87 2r4i h GLU 27 Ca 0.12 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.07 2r4i h GLU 27 Cb 0.29 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2r4i h GLU 27 CO 0.01 0.28 -0.97 0.28 -1.18 0.00 0.00 179.01 177.43 2r4i h VAL 28 N 0.30 1.30 0.00 0.32 2.07 -1.41 -3.38 116.25 115.45 2r4i h VAL 28 Ca 0.08 -2.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.10 2r4i h VAL 28 Cb 0.11 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 2r4i h VAL 28 CO -0.00 0.65 -0.40 -0.07 0.02 0.00 0.00 177.57 177.77 2r4i h LEU 29 N -0.51 0.00 -9.26 2.57 3.38 -1.01 -3.43 115.31 107.04 2r4i h LEU 29 Ca -0.21 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.17 2r4i h LEU 29 Cb 1.55 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.19 2r4i h LEU 29 CO 0.05 0.40 -0.37 -0.76 0.09 0.00 0.00 178.44 177.85 2r4i s LEU 30 N -7.16 4.22 0.26 1.67 1.43 -0.51 -0.61 118.68 117.98 2r4i s LEU 30 Ca -0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 2r4i s LEU 30 Cb 0.11 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 2r4i s LEU 30 CO 0.70 0.10 1.16 -2.28 0.23 0.00 0.00 176.35 176.26 2r4i s HIS 31 N 0.57 3.45 0.39 0.29 5.65 -0.20 -4.83 115.29 120.60 2r4i s HIS 31 Ca 0.14 1.58 0.18 0.00 0.25 0.00 0.00 55.06 57.21 2r4i s HIS 31 Cb -0.13 -3.39 1.11 0.00 -1.18 0.00 0.00 32.58 28.99 2r4i s HIS 31 CO 0.03 -0.95 1.75 -0.44 -0.65 0.00 0.00 174.74 174.48 2r4i h ASP 32 N 4.10 0.45 -0.65 9.88 3.32 -1.91 -2.43 116.42 129.18 2r4i h ASP 32 Ca -0.47 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 2r4i h ASP 32 Cb 1.21 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 2r4i h ASP 32 CO 0.69 0.05 0.13 0.47 -1.72 0.00 0.00 179.24 178.86 2r4i n ASP 33 N -4.68 5.30 -4.75 6.45 8.00 -1.26 -4.50 116.55 121.11 2r4i n ASP 33 Ca 0.27 -3.08 -0.32 0.00 0.71 0.00 0.00 54.79 52.37 2r4i n ASP 33 Cb 0.93 -0.71 0.10 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.89 3.09 -0.04 0.64 0.05 -0.92 -4.98 118.68 113.64 2r4i s LEU 34 Ca 0.55 1.95 0.02 0.00 0.05 0.00 0.00 54.13 56.70 2r4i s LEU 34 Cb 0.43 -4.54 0.01 0.00 -2.05 0.00 0.00 46.19 40.04 2r4i s LEU 34 CO 0.15 -2.16 -0.10 -0.76 -0.55 0.00 0.00 176.35 172.93 2r4i s LEU 35 N -5.79 1.70 -0.00 1.48 1.43 -1.19 -4.22 118.68 112.08 2r4i s LEU 35 Ca 0.64 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2r4i s LEU 35 Cb -0.19 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2r4i s LEU 35 CO 0.53 0.05 -0.21 -0.36 0.23 0.00 0.00 176.35 176.59 2r4i s PHE 36 N 0.38 1.86 -0.11 0.29 0.08 -0.43 -2.07 117.98 117.97 2r4i s PHE 36 Ca -0.07 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2r4i s PHE 36 Cb -0.11 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2r4i s PHE 36 CO 0.01 -0.00 -0.05 0.42 -0.10 0.00 0.00 175.22 175.50 2r4i s ILE 37 N -0.56 3.79 0.36 0.64 1.01 -0.61 0.22 121.20 126.06 2r4i s ILE 37 Ca 0.08 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.39 2r4i s ILE 37 Cb -0.08 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2r4i s ILE 37 CO -0.00 0.55 0.15 0.27 0.00 0.00 0.00 174.94 175.91 2r4i s ILE 38 N -0.23 2.77 0.60 2.92 -4.36 -0.78 -1.34 121.20 120.78 2r4i s ILE 38 Ca 0.04 -1.70 0.30 0.00 -0.26 0.00 0.00 60.65 59.02 2r4i s ILE 38 Cb -0.13 -2.96 0.36 0.00 1.25 0.00 0.00 42.46 40.98 2r4i s ILE 38 CO 0.02 -0.13 2.12 -0.65 0.24 0.00 0.00 174.94 176.55 2r4i h PRO 39 N 1.51 0.00 0.00 0.37 0.11 -1.89 -0.63 132.00 131.47 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2r4i h PRO 39 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 2r4i n SER 40 N -3.73 0.28 0.00 -2.05 3.41 -1.26 -4.87 113.62 105.39 2r4i n SER 40 Ca 0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2r4i n SER 40 Cb 0.30 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.07 0.50 3.76 5.00 0.00 -0.24 -5.07 105.19 109.22 2r4i n GLY 41 Ca 0.03 0.00 -0.37 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 -0.84 3.32 -0.21 1.61 2.02 -1.26 -4.79 118.70 118.56 2r4i s GLU 42 Ca 0.00 1.86 -0.09 0.00 0.02 0.00 0.00 54.97 56.76 2r4i s GLU 42 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2r4i s GLU 42 CO 0.00 -0.93 0.10 0.99 0.02 0.00 0.00 175.26 175.44 2r4i s THR 43 N -1.54 4.97 -0.06 3.63 2.01 -1.26 -1.86 115.64 121.53 2r4i s THR 43 Ca 0.71 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2r4i s THR 43 Cb -0.31 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2r4i s THR 43 CO 0.36 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 2r4i s VAL 44 N 0.74 3.12 0.50 3.82 1.01 0.13 -4.94 120.40 124.79 2r4i s VAL 44 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2r4i s VAL 44 Cb -0.13 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2r4i s VAL 44 CO 0.02 0.59 0.71 0.42 0.00 0.00 0.00 175.10 176.83 2r4i s THR 45 N -0.65 3.12 0.23 3.92 -4.23 -1.26 -1.31 115.64 115.46 2r4i s THR 45 Ca 0.10 -0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2r4i s THR 45 Cb -0.11 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.77 2r4i s THR 45 CO 0.01 -0.09 1.79 0.50 -0.54 0.00 0.00 174.62 176.29 2r4i h LYS 46 N 0.27 0.64 -0.15 3.99 3.64 -1.79 -0.04 116.57 123.12 2r4i h LYS 46 Ca -0.43 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2r4i h LYS 46 Cb 1.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2r4i h LYS 46 CO 0.53 0.42 0.09 0.93 -2.27 0.00 0.00 179.45 179.15 2r4i h GLU 47 N 0.66 0.20 -0.36 1.90 3.07 -1.95 0.01 114.58 118.11 2r4i h GLU 47 Ca 0.36 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 2r4i h GLU 47 Cb 0.36 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2r4i h GLU 47 CO -0.26 0.18 0.05 1.15 -1.40 0.00 0.00 179.01 178.73 2r4i h THR 48 N 0.17 1.24 0.04 1.13 2.02 -1.89 -0.62 112.91 115.01 2r4i h THR 48 Ca 0.05 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.40 2r4i h THR 48 Cb 0.03 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2r4i h THR 48 CO -0.01 0.29 -0.14 -0.78 0.37 0.00 0.00 175.52 175.25 2r4i h ASP 49 N 0.44 -0.39 -0.49 4.18 3.58 -0.81 -2.44 116.42 120.49 2r4i h ASP 49 Ca 0.11 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2r4i h ASP 49 Cb 0.37 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2r4i h ASP 49 CO 0.01 -0.20 -0.01 0.40 -2.88 0.00 0.00 179.24 176.55 2r4i h ILE 50 N -0.25 1.26 -0.53 2.25 2.04 -0.91 -2.64 117.51 118.72 2r4i h ILE 50 Ca 0.03 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2r4i h ILE 50 Cb 0.29 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2r4i h ILE 50 CO -0.10 0.39 0.35 0.00 0.00 0.00 0.00 178.15 178.79 2r4i h ALA 51 N 1.12 1.66 -0.83 1.87 0.00 -0.98 -2.39 119.26 119.72 2r4i h ALA 51 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2r4i h ALA 51 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2r4i h ALA 51 CO 0.03 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.03 2r4i h ALA 52 N 1.68 1.24 -0.02 0.00 0.00 -1.05 -2.13 119.26 118.97 2r4i h ALA 52 Ca 0.20 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2r4i h ALA 52 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2r4i h ALA 52 CO -0.05 0.62 -0.61 1.88 0.00 0.00 0.00 179.25 181.09 2r4i h TYR 53 N 1.16 0.09 0.00 0.00 0.05 -1.45 -3.15 116.97 113.67 2r4i h TYR 53 Ca 0.29 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2r4i h TYR 53 Cb 0.02 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2r4i h TYR 53 CO 0.01 0.66 -0.07 0.77 -1.05 0.00 0.00 178.16 178.48 2r4i h SER 54 N 0.05 0.00 0.60 3.88 0.02 -0.98 -3.17 113.55 113.96 2r4i h SER 54 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2r4i h SER 54 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2r4i h SER 54 CO 0.08 0.07 -0.52 0.77 -1.14 0.00 0.00 176.83 176.09 2r4i h SER 55 N 0.00 0.00 0.00 3.07 4.64 -1.36 -3.47 113.55 116.44 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2r4i h SER 55 CO 0.01 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2r4i n GLY 56 N 0.08 0.45 1.09 -0.77 0.00 -1.20 -4.94 105.19 99.90 2r4i n GLY 56 Ca -0.01 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.14 2r4i n GLY 56 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2r4i n LYS 57 N -2.86 2.47 -3.92 1.61 2.85 -1.25 -4.70 118.16 112.36 2r4i n LYS 57 Ca 0.00 -2.27 -0.30 0.00 -1.05 0.00 0.00 58.31 54.68 2r4i n LYS 57 Cb 0.01 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 32.77 2r4i n LYS 57 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2r4i s ILE 58 N -1.27 2.13 -0.52 0.58 1.01 -1.25 -4.31 121.20 117.57 2r4i s ILE 58 Ca 0.37 -2.67 0.04 0.00 0.00 0.00 0.00 60.65 58.39 2r4i s ILE 58 Cb 0.21 -2.53 0.14 0.00 0.01 0.00 0.00 42.46 40.29 2r4i s ILE 58 CO 0.29 -0.73 0.28 0.00 0.00 0.00 0.00 174.94 174.78 2r4i s ALA 59 N 0.42 3.04 -0.35 9.38 0.00 0.20 -4.86 121.76 129.58 2r4i s ALA 59 Ca 0.14 -3.15 -0.14 0.00 0.00 0.00 0.00 51.96 48.80 2r4i s ALA 59 Cb -0.22 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2r4i s ALA 59 CO -0.05 -2.04 0.32 -0.51 0.00 0.00 0.00 175.76 173.48 2r4i s LEU 60 N -0.26 4.52 0.24 0.00 1.43 -1.26 0.95 118.68 124.30 2r4i s LEU 60 Ca 0.18 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2r4i s LEU 60 Cb -0.22 -2.26 0.21 0.00 0.03 0.00 0.00 46.19 43.94 2r4i s LEU 60 CO -0.02 -0.32 1.51 0.08 0.23 0.00 0.00 176.35 177.83 2r4i h ARG 61 N 8.49 0.00 -2.51 1.70 -0.00 -0.70 -3.45 114.38 117.91 2r4i h ARG 61 Ca -0.30 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.59 2r4i h ARG 61 Cb 1.15 0.00 -0.24 0.00 -0.00 0.00 0.00 29.97 30.88 2r4i h ARG 61 CO 0.68 0.69 -0.17 0.00 -0.00 0.00 0.00 179.97 181.17 2r4i s ALA 62 N -3.28 -1.24 -0.31 0.08 0.00 -0.42 -4.96 121.76 111.62 2r4i s ALA 62 Ca 0.00 1.56 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 2r4i s ALA 62 Cb 0.11 -0.92 0.10 0.00 0.00 0.00 0.00 23.12 22.41 2r4i s ALA 62 CO 0.77 -0.26 0.12 0.08 0.00 0.00 0.00 175.76 176.47 2r4i s VAL 63 N 0.80 0.62 -0.28 0.00 1.01 -1.26 -1.44 120.40 119.86 2r4i s VAL 63 Ca -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 2r4i s VAL 63 Cb -0.05 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.88 2r4i s VAL 63 CO -0.06 -0.72 0.00 -0.69 0.00 0.00 0.00 175.10 173.63 2r4i s VAL 64 N 1.65 3.27 0.33 2.92 1.01 -0.03 -4.94 120.40 124.60 2r4i s VAL 64 Ca 0.10 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2r4i s VAL 64 Cb -0.18 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2r4i s VAL 64 CO -0.26 0.08 0.62 -2.16 0.00 0.00 0.00 175.10 173.38 2r4i s PRO 65 N 1.37 3.66 0.14 2.72 0.04 -1.26 -1.30 135.00 140.37 2r4i s PRO 65 Ca -0.00 0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 2r4i s PRO 65 Cb -0.18 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.86 2r4i s PRO 65 CO -0.01 0.13 0.83 -1.54 0.04 0.00 0.00 177.00 176.45 2r4i s SER 66 N -3.21 -0.32 -1.45 6.66 1.04 -0.38 -5.00 113.70 111.04 2r4i s SER 66 Ca 0.46 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 2r4i s SER 66 Cb -0.11 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.58 2r4i s SER 66 CO 0.31 -0.93 0.93 -0.67 0.98 0.00 0.00 173.24 173.85 2r4i n ASP 67 N -0.39 -5.68 -4.64 7.02 2.03 -1.26 -1.51 116.55 112.12 2r4i n ASP 67 Ca -0.08 -0.53 -0.47 0.00 0.52 0.00 0.00 54.79 54.23 2r4i n ASP 67 Cb 0.61 -4.53 -0.04 0.00 -0.72 0.00 0.00 41.12 36.45 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 -4.71 1.91 -4.11 -0.67 4.01 -1.26 -4.43 117.16 107.91 2r4i n TYR 68 Ca -0.01 0.47 -0.29 0.00 -0.16 0.00 0.00 57.90 57.91 2r4i n TYR 68 Cb 0.56 -2.42 -0.17 0.00 -0.31 0.00 0.00 39.34 37.00 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 0.24 1.43 -0.02 -0.72 1.01 0.42 -5.01 121.20 118.56 2r4i s ILE 69 Ca 0.74 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2r4i s ILE 69 Cb -0.75 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 40.38 2r4i s ILE 69 CO 0.47 0.43 -0.05 -0.63 0.00 0.00 0.00 174.94 175.16 2r4i s ILE 70 N 1.40 0.50 -0.10 2.92 1.01 -1.26 -0.58 121.20 125.09 2r4i s ILE 70 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2r4i s ILE 70 Cb -0.13 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2r4i s ILE 70 CO -0.08 0.17 -0.10 -0.13 0.00 0.00 0.00 174.94 174.81 2r4i s ARG 71 N 0.33 1.68 -0.25 2.79 1.81 -0.10 -5.00 118.95 120.21 2r4i s ARG 71 Ca -0.04 -0.34 -0.14 0.00 -1.72 0.00 0.00 55.73 53.49 2r4i s ARG 71 Cb -0.08 -1.60 -0.04 0.00 -0.45 0.00 0.00 34.95 32.78 2r4i s ARG 71 CO -0.00 -0.18 0.35 0.42 -0.68 0.00 0.00 175.30 175.21 2r4i s ILE 72 N 1.38 5.21 -0.57 1.52 1.01 -1.26 -0.77 121.20 127.71 2r4i s ILE 72 Ca -0.01 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.24 2r4i s ILE 72 Cb -0.14 -3.68 0.19 0.00 0.01 0.00 0.00 42.46 38.85 2r4i s ILE 72 CO -0.05 0.20 0.50 -0.38 0.00 0.00 0.00 174.94 175.21 2r4i n ILE 73 N 4.84 0.64 0.00 2.92 5.41 0.89 -5.02 119.36 129.03 2r4i n ILE 73 Ca -0.09 -4.41 0.00 0.00 1.00 0.00 0.00 62.75 59.25 2r4i n ILE 73 Cb 0.51 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 2r4i n ILE 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2r4i n HIS 74 N 1.93 0.00 1.03 1.39 8.25 -1.26 -1.98 115.22 124.58 2r4i n HIS 74 Ca 0.25 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.75 2r4i n HIS 74 Cb 0.42 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.66 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 10.92 1.62 -3.97 0.41 5.75 -1.26 -4.84 116.55 125.18 2r4i n ASP 75 Ca 0.00 -2.04 -0.17 0.00 -0.01 0.00 0.00 54.79 52.57 2r4i n ASP 75 Cb 0.00 -0.23 -0.15 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.64 0.49 -0.09 2.12 2.01 -0.84 -1.63 115.64 116.07 2r4i s THR 76 Ca 0.19 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2r4i s THR 76 Cb 0.10 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.21 2r4i s THR 76 CO 0.12 0.14 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.36 2r4i s VAL 77 N -0.13 1.34 -0.18 3.82 1.01 0.22 -0.08 120.40 126.39 2r4i s VAL 77 Ca 0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2r4i s VAL 77 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2r4i s VAL 77 CO -0.00 0.41 0.12 -0.69 0.00 0.00 0.00 175.10 174.94 2r4i s VAL 78 N 0.92 5.34 -0.08 2.92 1.01 0.05 -0.68 120.40 129.88 2r4i s VAL 78 Ca -0.09 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2r4i s VAL 78 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2r4i s VAL 78 CO 0.00 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 2r4i s VAL 79 N 0.09 1.23 -0.05 2.92 1.01 0.35 -0.92 120.40 125.03 2r4i s VAL 79 Ca 0.09 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2r4i s VAL 79 Cb -0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2r4i s VAL 79 CO -0.01 0.38 -0.22 -0.55 0.00 0.00 0.00 175.10 174.70 2r4i s SER 80 N 0.80 2.75 -0.12 3.32 0.15 0.26 -0.77 113.70 120.10 2r4i s SER 80 Ca -0.12 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 2r4i s SER 80 Cb -0.15 -0.67 0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2r4i s SER 80 CO 0.02 0.23 0.44 0.54 1.20 0.00 0.00 173.24 175.67 2r4i s VAL 81 N -0.19 0.01 -0.10 4.45 0.11 -0.47 -0.43 120.40 123.79 2r4i s VAL 81 Ca -0.01 -0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.67 2r4i s VAL 81 Cb -0.12 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2r4i s VAL 81 CO 0.02 -0.07 0.77 0.21 -3.33 0.00 0.00 175.10 172.70 2r4i s ASN 82 N -0.32 7.00 -0.12 3.54 2.47 -0.57 -1.09 114.94 125.85 2r4i s ASN 82 Ca -0.05 1.21 0.00 0.00 0.42 0.00 0.00 52.86 54.45 2r4i s ASN 82 Cb -0.03 -2.44 0.02 0.00 -1.45 0.00 0.00 41.25 37.35 2r4i s ASN 82 CO 0.03 -0.23 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.45 2r4i s ILE 83 N 1.30 1.17 -0.24 -5.21 -1.09 0.37 -1.25 121.20 116.25 2r4i s ILE 83 Ca 0.39 -0.40 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 2r4i s ILE 83 Cb -0.18 -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 0.23 -0.70 -1.23 0.00 0.00 174.94 173.80 2r4i s GLU 84 N 1.52 4.06 -0.10 2.79 2.12 -0.42 -0.72 118.70 127.95 2r4i s GLU 84 Ca 0.02 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2r4i s GLU 84 Cb -0.13 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2r4i s GLU 84 CO -0.07 -0.04 -0.22 0.42 -0.54 0.00 0.00 175.26 174.81 2r4i s ILE 85 N 1.35 1.93 -0.21 -3.70 1.01 0.08 -0.85 121.20 120.81 2r4i s ILE 85 Ca 0.10 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2r4i s ILE 85 Cb -0.14 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.66 2r4i s ILE 85 CO 0.07 0.53 -0.13 -0.54 0.00 0.00 0.00 174.94 174.87 2r4i s LYS 86 N 0.50 3.00 0.00 2.79 1.02 -0.52 -1.50 119.74 125.03 2r4i s LYS 86 Ca -0.16 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2r4i s LYS 86 Cb -0.17 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2r4i s LYS 86 CO 0.06 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 2r4i n GLY 87 N 4.66 -1.16 3.23 -3.33 0.00 -0.82 0.07 105.19 107.84 2r4i n GLY 87 Ca -0.19 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.78 3.20 -0.08 1.61 0.41 0.27 0.15 118.70 123.47 2r4i s GLU 88 Ca 0.00 -0.72 0.12 0.00 -0.41 0.00 0.00 54.97 53.96 2r4i s GLU 88 Cb 0.00 -2.85 0.18 0.00 -1.78 0.00 0.00 34.13 29.68 2r4i s GLU 88 CO 0.00 -0.22 1.07 0.66 -0.49 0.00 0.00 175.26 176.29 2r4i n TYR 89 N 4.72 0.00 0.00 1.61 4.02 -1.26 0.58 117.16 126.83 2r4i n TYR 89 Ca -0.19 -0.70 0.00 0.00 -0.01 0.00 0.00 57.90 57.00 2r4i n TYR 89 Cb 0.50 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 2r4i n TYR 89 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2r4i n GLU 91 N -0.97 0.00 -3.51 -0.72 4.07 -1.26 -4.72 120.64 113.52 2r4i n GLU 91 Ca 0.10 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.82 2r4i n GLU 91 Cb 0.59 -1.29 -0.06 0.00 -0.06 0.00 0.00 31.44 30.62 2r4i n GLU 91 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2r4i s HIS 92 N -1.03 3.72 -0.08 4.31 3.76 -1.26 -5.06 115.29 119.65 2r4i s HIS 92 Ca 0.00 0.97 -0.24 0.00 -0.15 0.00 0.00 55.06 55.64 2r4i s HIS 92 Cb 0.00 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2r4i s HIS 92 CO 0.00 0.63 0.74 0.99 -0.85 0.00 0.00 174.74 176.25 2r4i s THR 93 N -1.02 5.01 -0.06 1.30 2.01 -1.26 -4.37 115.64 117.25 2r4i s THR 93 Ca 0.23 1.51 -0.04 0.00 0.31 0.00 0.00 61.69 63.70 2r4i s THR 93 Cb -0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2r4i s THR 93 CO 0.13 0.21 0.13 -0.76 -0.69 0.00 0.00 174.62 173.64 2r4i s LEU 94 N 1.03 4.20 -0.44 4.42 1.43 0.39 -4.97 118.68 124.74 2r4i s LEU 94 Ca 0.38 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 2r4i s LEU 94 Cb -0.18 -2.27 0.31 0.00 0.03 0.00 0.00 46.19 44.08 2r4i s LEU 94 CO 0.18 0.33 1.12 -0.67 0.23 0.00 0.00 176.35 177.54 2r4i n ASP 95 N 1.49 -2.27 -4.19 2.29 2.03 -1.10 -1.95 116.55 112.85 2r4i n ASP 95 Ca -0.15 -3.37 -0.11 0.00 0.52 0.00 0.00 54.79 51.67 2r4i n ASP 95 Cb 0.54 1.79 -0.10 0.00 -0.72 0.00 0.00 41.12 42.63 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 -1.18 1.13 -0.05 1.67 -0.87 -0.56 -4.96 114.94 110.12 2r4i s ASN 96 Ca 0.23 -1.06 0.02 0.00 -1.57 0.00 0.00 52.86 50.48 2r4i s ASN 96 Cb 0.28 0.11 -0.03 0.00 -0.02 0.00 0.00 41.25 41.59 2r4i s ASN 96 CO -0.10 -0.51 -0.10 -0.89 -2.57 0.00 0.00 177.10 172.93 2r4i s THR 97 N -3.65 3.44 0.07 1.60 2.01 -1.26 -0.74 115.64 117.10 2r4i s THR 97 Ca 0.16 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2r4i s THR 97 Cb 0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2r4i s THR 97 CO -0.02 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.04 2r4i s PHE 98 N -0.81 0.77 -0.28 4.92 0.40 0.11 -1.06 117.98 122.04 2r4i s PHE 98 Ca 0.13 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.67 2r4i s PHE 98 Cb -0.11 -0.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.96 2r4i s PHE 98 CO 0.02 -0.12 0.06 0.50 0.70 0.00 0.00 175.22 176.38 2r4i s ARG 99 N -2.74 3.26 -0.10 0.44 6.06 0.65 -0.48 118.95 126.05 2r4i s ARG 99 Ca 0.01 -0.74 -0.06 0.00 -2.50 0.00 0.00 55.73 52.44 2r4i s ARG 99 Cb -0.02 -3.32 -0.04 0.00 0.06 0.00 0.00 34.95 31.63 2r4i s ARG 99 CO -0.02 -0.35 0.14 0.71 -2.50 0.00 0.00 175.30 173.28 2r4i s TYR 100 N 1.53 3.58 -0.13 5.12 1.51 -0.25 -0.95 117.35 127.76 2r4i s TYR 100 Ca 0.04 0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 56.58 2r4i s TYR 100 Cb -0.16 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2r4i s TYR 100 CO 0.02 0.72 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.95 2r4i s LEU 101 N -1.17 3.14 -0.00 -1.29 2.96 -0.14 -1.37 118.68 120.81 2r4i s LEU 101 Ca 0.17 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2r4i s LEU 101 Cb -0.12 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2r4i s LEU 101 CO 0.06 0.22 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.12 2r4i s ARG 102 N 0.07 0.51 -0.22 1.98 0.52 0.06 -0.99 118.95 120.87 2r4i s ARG 102 Ca -0.01 -0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2r4i s ARG 102 Cb -0.14 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.86 2r4i s ARG 102 CO 0.03 0.13 -0.09 0.08 0.02 0.00 0.00 175.30 175.47 2r4i s VAL 103 N -0.19 2.86 -0.04 3.52 1.01 -0.28 -0.49 120.40 126.78 2r4i s VAL 103 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2r4i s VAL 103 Cb -0.03 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2r4i s VAL 103 CO -0.00 0.38 0.13 0.26 0.00 0.00 0.00 175.10 175.87 2r4i s TRP 104 N 1.38 3.48 0.02 5.22 0.52 0.15 -0.47 118.94 129.22 2r4i s TRP 104 Ca 0.04 0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.48 2r4i s TRP 104 Cb -0.15 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2r4i s TRP 104 CO -0.06 0.64 0.06 0.21 0.02 0.00 0.00 176.95 177.82 2r4i s LYS 105 N -1.57 0.43 -0.12 4.98 2.20 -0.07 -0.61 119.74 124.97 2r4i s LYS 105 Ca 0.22 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 55.06 2r4i s LYS 105 Cb -0.12 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2r4i s LYS 105 CO 0.12 -0.09 0.65 -1.17 -0.36 0.00 0.00 175.35 174.50 2r4i s LEU 106 N -1.55 4.25 -0.31 5.43 2.96 -0.64 -1.23 118.68 127.58 2r4i s LEU 106 Ca -0.14 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 2r4i s LEU 106 Cb -0.07 -2.97 0.10 0.00 0.50 0.00 0.00 46.19 43.74 2r4i s LEU 106 CO -0.01 -0.17 0.08 -0.36 -1.32 0.00 0.00 176.35 174.58 2r4i s PHE 107 N 1.21 2.14 -1.37 5.38 0.08 0.16 -4.85 117.98 120.73 2r4i s PHE 107 Ca 0.33 -1.98 -0.01 0.00 0.12 0.00 0.00 56.93 55.39 2r4i s PHE 107 Cb -0.17 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 2r4i s PHE 107 CO 0.14 -0.88 0.60 -0.25 -0.10 0.00 0.00 175.22 174.73 2r4i n ASP 108 N 4.72 -1.03 0.00 1.36 8.00 -1.26 -1.58 116.55 126.77 2r4i n ASP 108 Ca -0.01 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2r4i n ASP 108 Cb 0.42 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -1.74 1.09 3.33 0.44 0.00 -1.26 -5.03 105.19 102.02 2r4i n GLY 109 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.06 3.96 0.02 1.61 0.01 -0.61 -5.10 114.94 111.76 2r4i s ASN 110 Ca 0.00 -0.37 -0.28 0.00 -0.71 0.00 0.00 52.86 51.50 2r4i s ASN 110 Cb 0.00 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 2r4i s ASN 110 CO 0.00 0.12 0.89 0.26 -1.51 0.00 0.00 177.10 176.86 2r4i s TRP 111 N 0.63 3.69 0.03 2.20 0.52 -1.26 -0.66 118.94 124.08 2r4i s TRP 111 Ca -0.07 1.61 0.02 0.00 0.02 0.00 0.00 56.10 57.68 2r4i s TRP 111 Cb -0.15 -3.00 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 2r4i s TRP 111 CO 0.03 0.10 -0.07 0.15 0.02 0.00 0.00 176.95 177.17 2r4i s LYS 112 N 0.59 0.51 -0.13 4.98 1.02 -0.37 -4.81 119.74 121.53 2r4i s LYS 112 Ca 0.46 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 2r4i s LYS 112 Cb -0.21 -0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 2r4i s LYS 112 CO 0.26 0.08 1.16 0.08 -0.92 0.00 0.00 175.35 176.00 2r4i s VAL 113 N -0.98 4.44 -0.48 3.17 1.01 0.22 -0.89 120.40 126.89 2r4i s VAL 113 Ca -0.06 1.74 0.14 0.00 0.00 0.00 0.00 61.98 63.80 2r4i s VAL 113 Cb -0.07 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 2r4i s VAL 113 CO 0.00 -0.08 0.51 2.30 0.00 0.00 0.00 175.10 177.83 2r4i n ILE 114 N 4.99 0.00 -3.51 2.22 -5.35 0.38 -1.03 119.36 117.06 2r4i n ILE 114 Ca 0.12 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 2r4i n ILE 114 Cb 0.46 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 39.11 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 -2.47 -1.80 0.00 -1.28 0.00 -1.23 -3.19 121.76 111.78 2r4i s ALA 115 Ca 0.02 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2r4i s ALA 115 Cb 0.10 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2r4i s ALA 115 CO 0.57 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2r4i n GLY 116 N 0.08 -0.63 3.42 0.00 0.00 -0.88 -1.13 105.19 106.04 2r4i n GLY 116 Ca -0.12 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 2r4i n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r4i s SER 117 N 0.00 -0.38 -0.13 1.61 1.04 -0.17 -1.58 113.70 114.10 2r4i s SER 117 Ca 0.00 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2r4i s SER 117 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2r4i s SER 117 CO 0.00 -0.96 -0.13 0.00 0.98 0.00 0.00 173.24 173.14 2r4i s THR 119 N 1.39 2.95 0.04 0.00 2.01 -0.12 -3.35 115.64 118.56 2r4i s THR 119 Ca 0.02 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2r4i s THR 119 Cb -0.13 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2r4i s THR 119 CO -0.07 0.50 1.03 0.00 -0.69 0.00 0.00 174.62 175.38 2r4i s ALA 120 N 0.85 3.23 -1.95 7.40 0.00 -1.26 -0.25 121.76 129.78 2r4i s ALA 120 Ca -0.04 0.62 0.16 0.00 0.00 0.00 0.00 51.96 52.70 2r4i s ALA 120 Cb -0.15 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.74 2r4i s ALA 120 CO 0.00 -0.24 0.99 -0.89 0.00 0.00 0.00 175.76 175.63