#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5r1r n ASN 2 N 0.00 -0.71 -4.57 7.83 3.02 -1.26 -5.10 115.26 114.48 5r1r n ASN 2 Ca 0.00 -1.56 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 5r1r n ASN 2 Cb 0.00 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 5r1r n ASN 2 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 5r1r s GLN 3 N 0.06 2.74 -0.04 3.52 1.11 -1.26 -4.90 119.66 120.90 5r1r s GLN 3 Ca 0.04 -0.66 -0.01 0.00 0.01 0.00 0.00 55.36 54.73 5r1r s GLN 3 Cb 0.21 -5.16 -0.00 0.00 -1.01 0.00 0.00 33.01 27.04 5r1r s GLN 3 CO -0.06 -3.30 -0.03 -0.91 0.01 0.00 0.00 175.29 171.00 5r1r h ASN 4 N 10.59 0.00 -0.11 5.90 2.35 -2.03 -3.51 115.58 128.77 5r1r h ASN 4 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 5r1r h ASN 4 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 5r1r h ASN 4 CO 1.25 0.19 0.00 0.18 -1.65 0.00 0.00 177.43 177.40 5r1r n LEU 5 N -2.90 -0.07 -4.62 1.61 4.77 -1.26 -4.48 117.00 110.04 5r1r n LEU 5 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 5r1r n LEU 5 Cb 0.04 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 5r1r n LEU 5 CO 0.02 0.00 0.79 -0.76 -1.33 0.00 0.00 177.39 176.11 5r1r s LEU 6 N 0.00 3.99 0.26 2.23 1.43 -1.11 -1.89 118.68 123.59 5r1r s LEU 6 Ca 0.00 0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 53.66 5r1r s LEU 6 Cb 0.00 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.81 5r1r s LEU 6 CO 0.00 -0.81 0.81 -0.69 0.23 0.00 0.00 176.35 175.90 5r1r s VAL 7 N 3.41 4.42 -0.11 -1.59 1.01 0.18 -3.48 120.40 124.25 5r1r s VAL 7 Ca 0.39 1.51 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 5r1r s VAL 7 Cb -0.13 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 5r1r s VAL 7 CO 0.16 0.19 -0.09 0.28 0.00 0.00 0.00 175.10 175.64 5r1r s THR 8 N -1.55 3.42 0.39 3.92 -1.32 -0.69 -2.14 115.64 117.68 5r1r s THR 8 Ca 0.45 -0.55 0.08 0.00 -1.21 0.00 0.00 61.69 60.46 5r1r s THR 8 Cb -0.18 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 5r1r s THR 8 CO 0.22 0.55 0.46 -0.54 -2.21 0.00 0.00 174.62 173.10 5r1r s LYS 9 N -0.14 2.79 -0.63 7.08 1.02 -0.81 -1.92 119.74 127.13 5r1r s LYS 9 Ca 0.01 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.40 5r1r s LYS 9 Cb -0.13 -2.63 -0.14 0.00 -0.52 0.00 0.00 37.83 34.40 5r1r s LYS 9 CO 0.03 -0.14 2.44 0.54 -0.92 0.00 0.00 175.35 177.31 5r1r n ARG 10 N -1.67 0.64 -1.69 1.68 3.00 -1.26 -2.84 116.66 114.52 5r1r n ARG 10 Ca 0.04 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 5r1r n ARG 10 Cb 0.60 -2.41 0.00 0.00 0.00 0.00 0.00 32.46 30.64 5r1r n ARG 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 5r1r n ASP 11 N 12.02 0.00 0.00 0.55 9.92 -1.26 -4.52 116.55 133.26 5r1r n ASP 11 Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 5r1r n ASP 11 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 5r1r n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5r1r n GLY 12 N -0.29 1.00 4.58 0.44 0.00 -1.15 -5.14 105.19 104.64 5r1r n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 5r1r n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5r1r n SER 13 N 0.00 0.00 -1.81 1.61 7.64 -1.13 -4.70 113.62 115.24 5r1r n SER 13 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 5r1r n SER 13 Cb 0.13 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 5r1r n SER 13 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 5r1r n THR 14 N 0.00 0.00 0.00 0.44 -2.24 -1.26 -1.93 114.28 109.29 5r1r n THR 14 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 5r1r n THR 14 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 5r1r n THR 14 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 5r1r n GLU 15 N 0.72 0.00 -1.49 -0.78 2.13 -0.91 -4.81 120.64 115.50 5r1r n GLU 15 Ca 0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 5r1r n GLU 15 Cb 0.21 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.04 5r1r n GLU 15 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 5r1r s ARG 16 N -1.83 1.57 0.67 5.31 0.52 -1.26 0.51 118.95 124.44 5r1r s ARG 16 Ca 0.00 0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 55.59 5r1r s ARG 16 Cb 0.00 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.61 5r1r s ARG 16 CO 0.00 -1.95 1.13 -1.50 0.02 0.00 0.00 175.30 172.99 5r1r s ILE 17 N -3.16 3.08 -0.41 1.52 -1.16 -0.79 -4.41 121.20 115.87 5r1r s ILE 17 Ca 0.62 0.51 0.05 0.00 -0.51 0.00 0.00 60.65 61.32 5r1r s ILE 17 Cb -0.15 -3.04 0.19 0.00 0.61 0.00 0.00 42.46 40.07 5r1r s ILE 17 CO 0.54 -0.30 0.38 -3.20 -2.81 0.00 0.00 174.94 169.56 5r1r n ASN 18 N -2.44 -0.42 0.03 4.50 2.85 -1.26 -4.95 115.26 113.58 5r1r n ASN 18 Ca 0.11 -2.45 0.12 0.00 -0.11 0.00 0.00 54.58 52.25 5r1r n ASN 18 Cb 0.52 -0.53 0.50 0.00 1.24 0.00 0.00 39.78 41.51 5r1r n ASN 18 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 5r1r n LEU 19 N 2.54 0.22 0.03 1.20 4.77 -1.26 -2.71 117.00 121.79 5r1r n LEU 19 Ca 0.28 0.53 -0.00 0.00 -0.03 0.00 0.00 56.01 56.79 5r1r n LEU 19 Cb 0.49 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 5r1r n LEU 19 CO 0.10 -0.13 -0.30 0.47 -1.33 0.00 0.00 177.39 176.20 5r1r n ASP 20 N -1.71 0.86 0.11 -1.43 8.00 -1.26 -2.71 116.55 118.40 5r1r n ASP 20 Ca 0.06 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.80 5r1r n ASP 20 Cb 0.31 0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 5r1r n ASP 20 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 5r1r h LYS 21 N 0.00 -0.25 -0.35 -1.24 3.64 -1.94 -2.04 116.57 114.39 5r1r h LYS 21 Ca -0.17 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.30 5r1r h LYS 21 Cb 1.59 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.40 5r1r h LYS 21 CO 0.05 0.03 -0.09 0.82 -2.27 0.00 0.00 179.45 177.99 5r1r h ILE 22 N -0.54 0.65 -0.17 2.00 2.04 -1.63 -0.89 117.51 118.97 5r1r h ILE 22 Ca -0.03 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 5r1r h ILE 22 Cb 0.40 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 5r1r h ILE 22 CO 0.04 0.00 0.09 -0.74 0.00 0.00 0.00 178.15 177.54 5r1r h HIS 23 N 0.00 0.16 -0.06 1.37 2.76 -1.50 0.32 115.15 118.20 5r1r h HIS 23 Ca 0.17 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 5r1r h HIS 23 Cb 0.26 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 5r1r h HIS 23 CO -0.32 0.09 -0.51 0.00 -1.30 0.00 0.00 177.93 175.89 5r1r h ARG 24 N 0.19 -0.59 -0.55 5.26 3.08 -0.68 0.54 114.38 121.63 5r1r h ARG 24 Ca 0.07 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.27 5r1r h ARG 24 Cb 0.01 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.09 5r1r h ARG 24 CO -0.05 -0.39 -0.24 0.28 -1.07 0.00 0.00 179.97 178.50 5r1r h VAL 25 N -0.61 0.29 0.26 2.04 2.07 -0.90 0.14 116.25 119.54 5r1r h VAL 25 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 5r1r h VAL 25 Cb 0.69 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 5r1r h VAL 25 CO -0.39 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 176.90 5r1r h LEU 26 N -0.11 -0.62 -0.65 2.57 3.38 0.10 -1.50 115.31 118.48 5r1r h LEU 26 Ca 0.25 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.41 5r1r h LEU 26 Cb 0.50 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 5r1r h LEU 26 CO -0.62 -0.35 0.00 -0.78 0.09 0.00 0.00 178.44 176.79 5r1r h ASP 27 N -0.52 -0.29 0.26 -0.43 3.58 0.77 -1.12 116.42 118.66 5r1r h ASP 27 Ca -0.01 0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.61 5r1r h ASP 27 Cb 0.47 0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 5r1r h ASP 27 CO -0.04 -0.13 -0.47 -0.25 -2.88 0.00 0.00 179.24 175.48 5r1r h TRP 28 N 0.12 -1.31 -0.82 0.28 7.01 -0.43 -2.72 115.95 118.07 5r1r h TRP 28 Ca 0.34 0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.59 5r1r h TRP 28 Cb 0.56 0.54 -0.04 0.00 -2.10 0.00 0.00 29.16 28.12 5r1r h TRP 28 CO -0.38 -0.58 0.58 0.00 -2.79 0.00 0.00 178.44 175.26 5r1r h ALA 29 N -0.48 2.63 0.00 2.65 0.00 -0.19 0.61 119.26 124.48 5r1r h ALA 29 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 5r1r h ALA 29 Cb 0.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 5r1r h ALA 29 CO -0.19 -0.86 -0.23 0.00 0.00 0.00 0.00 179.25 177.97 5r1r h ALA 30 N 1.61 0.90 -1.02 0.00 0.00 -1.00 -3.41 119.26 116.34 5r1r h ALA 30 Ca 0.40 -0.21 -0.86 0.00 0.00 0.00 0.00 54.91 54.24 5r1r h ALA 30 Cb 1.43 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.20 5r1r h ALA 30 CO -0.04 0.28 0.58 0.39 0.00 0.00 0.00 179.25 180.46 5r1r n GLU 31 N -3.23 0.04 0.00 0.00 -0.58 0.20 -0.61 120.64 116.46 5r1r n GLU 31 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 5r1r n GLU 31 Cb 0.54 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 5r1r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 5r1r n GLY 32 N 3.52 2.52 3.90 0.62 0.00 -1.26 -5.05 105.19 109.44 5r1r n GLY 32 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 5r1r n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5r1r s LEU 33 N 0.00 3.86 -0.02 0.99 1.43 0.22 -5.09 118.68 120.06 5r1r s LEU 33 Ca 0.00 0.91 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 5r1r s LEU 33 Cb 0.00 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 5r1r s LEU 33 CO 0.00 -0.38 -0.26 -1.00 0.23 0.00 0.00 176.35 174.94 5r1r s HIS 34 N -2.38 2.33 -0.94 0.29 3.76 -1.26 -4.75 115.29 112.35 5r1r s HIS 34 Ca 0.47 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 5r1r s HIS 34 Cb -0.10 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.09 5r1r s HIS 34 CO 0.35 -0.05 0.00 0.09 -0.85 0.00 0.00 174.74 174.28 5r1r n ASN 35 N 2.47 -3.64 -4.33 1.40 4.13 -1.26 -4.50 115.26 109.52 5r1r n ASN 35 Ca -0.16 0.06 -0.33 0.00 1.68 0.00 0.00 54.58 55.83 5r1r n ASN 35 Cb 0.51 -2.67 -0.15 0.00 -1.54 0.00 0.00 39.78 35.94 5r1r n ASN 35 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 5r1r s VAL 36 N -2.48 2.86 -0.45 2.41 -7.23 -1.26 -4.88 120.40 109.37 5r1r s VAL 36 Ca 0.00 -0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 59.26 5r1r s VAL 36 Cb 0.00 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.78 5r1r s VAL 36 CO 0.00 0.53 0.55 -0.55 -0.31 0.00 0.00 175.10 175.31 5r1r s SER 37 N 0.42 6.24 0.18 4.85 0.15 -1.26 -4.92 113.70 119.36 5r1r s SER 37 Ca -0.11 -0.64 -0.13 0.00 0.70 0.00 0.00 55.95 55.77 5r1r s SER 37 Cb -0.16 -2.27 0.13 0.00 -1.71 0.00 0.00 66.02 62.01 5r1r s SER 37 CO 0.05 -0.72 1.81 0.40 1.20 0.00 0.00 173.24 175.99 5r1r h ILE 38 N 5.81 1.04 -0.17 6.45 2.04 -1.98 -1.82 117.51 128.88 5r1r h ILE 38 Ca -0.26 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.43 5r1r h ILE 38 Cb 1.10 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 5r1r h ILE 38 CO 0.87 0.12 -0.17 0.77 0.00 0.00 0.00 178.15 179.73 5r1r h SER 39 N 0.64 -0.54 -0.52 1.72 4.64 -1.99 -0.04 113.55 117.46 5r1r h SER 39 Ca 0.23 0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.75 5r1r h SER 39 Cb 0.05 0.26 -0.11 0.00 -0.31 0.00 0.00 62.40 62.30 5r1r h SER 39 CO -0.11 -0.22 -0.29 1.56 -0.87 0.00 0.00 176.83 176.90 5r1r h GLN 40 N -0.20 -0.16 -0.40 4.77 1.08 -1.79 0.45 115.11 118.86 5r1r h GLN 40 Ca 0.11 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 5r1r h GLN 40 Cb 0.36 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 5r1r h GLN 40 CO -0.28 -0.10 0.17 0.28 -0.95 0.00 0.00 178.83 177.94 5r1r h VAL 41 N -0.16 0.93 -0.25 -0.54 2.07 -0.68 -1.43 116.25 116.18 5r1r h VAL 41 Ca 0.22 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 5r1r h VAL 41 Cb 0.52 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 5r1r h VAL 41 CO -0.61 0.06 0.11 -0.33 0.02 0.00 0.00 177.57 176.82 5r1r h GLU 42 N 0.35 0.36 -0.09 1.57 5.08 0.47 -1.90 114.58 120.43 5r1r h GLU 42 Ca 0.18 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 5r1r h GLU 42 Cb 0.12 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 5r1r h GLU 42 CO -0.15 0.39 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.85 5r1r h LEU 43 N 0.25 -1.00 -2.24 1.33 3.38 0.18 0.80 115.31 118.02 5r1r h LEU 43 Ca 0.08 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 5r1r h LEU 43 Cb 0.16 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 5r1r h LEU 43 CO -0.01 -0.37 -0.05 0.03 0.09 0.00 0.00 178.44 178.13 5r1r h ARG 44 N -0.43 0.00 0.00 1.13 3.08 -1.12 -2.98 114.38 114.07 5r1r h ARG 44 Ca 0.08 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.77 5r1r h ARG 44 Cb 0.56 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 5r1r h ARG 44 CO -0.33 0.05 -2.38 -1.13 -1.07 0.00 0.00 179.97 175.11 5r1r n SER 45 N -3.78 0.81 -0.24 7.04 3.41 -0.73 -4.46 113.62 115.67 5r1r n SER 45 Ca -0.03 -0.05 -0.02 0.00 -0.26 0.00 0.00 58.87 58.52 5r1r n SER 45 Cb 0.15 0.49 0.17 0.00 -0.26 0.00 0.00 64.21 64.76 5r1r n SER 45 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 5r1r h HIS 46 N 0.00 1.05 -0.04 7.33 3.86 0.63 -1.90 115.15 126.07 5r1r h HIS 46 Ca -0.55 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.65 5r1r h HIS 46 Cb 2.09 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 30.23 5r1r h HIS 46 CO 0.01 0.73 0.21 0.97 0.86 0.00 0.00 177.93 180.71 5r1r h ILE 47 N 1.07 0.09 -0.52 2.45 6.09 -1.73 0.19 117.51 125.15 5r1r h ILE 47 Ca 0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.76 5r1r h ILE 47 Cb 0.04 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.14 5r1r h ILE 47 CO -0.04 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.04 5r1r n GLN 48 N -3.13 3.10 -2.86 2.19 10.64 -0.72 -4.95 117.38 121.66 5r1r n GLN 48 Ca -0.01 -2.54 -0.41 0.00 -1.83 0.00 0.00 57.00 52.21 5r1r n GLN 48 Cb 0.28 -1.59 -0.04 0.00 -0.86 0.00 0.00 30.24 28.02 5r1r n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 5r1r s PHE 49 N -1.45 3.73 0.07 2.61 0.08 0.67 -5.06 117.98 118.64 5r1r s PHE 49 Ca 0.40 1.59 0.07 0.00 0.12 0.00 0.00 56.93 59.11 5r1r s PHE 49 Cb 0.24 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 5r1r s PHE 49 CO 0.22 0.18 -0.18 1.52 -0.10 0.00 0.00 175.22 176.86 5r1r s TYR 50 N 0.26 1.56 0.00 0.36 1.13 -1.26 -5.08 117.35 114.32 5r1r s TYR 50 Ca 0.44 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 5r1r s TYR 50 Cb -0.21 -0.88 0.00 0.00 -1.10 0.00 0.00 41.96 39.77 5r1r s TYR 50 CO 0.25 0.12 0.03 -3.47 -2.51 0.00 0.00 175.55 169.97 5r1r n ASP 51 N 1.39 0.00 -3.08 -0.18 -0.08 -1.26 -2.35 116.55 110.99 5r1r n ASP 51 Ca -0.19 0.03 -0.34 0.00 -1.51 0.00 0.00 54.79 52.77 5r1r n ASP 51 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.97 5r1r n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 5r1r n GLY 52 N -0.15 4.79 3.78 0.27 0.00 -1.23 -2.77 105.19 109.88 5r1r n GLY 52 Ca 0.00 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 5r1r n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 5r1r s ILE 53 N -1.26 4.38 0.56 -0.61 2.07 -0.99 -4.59 121.20 120.76 5r1r s ILE 53 Ca 0.57 1.67 -0.16 0.00 -1.41 0.00 0.00 60.65 61.32 5r1r s ILE 53 Cb 0.26 -4.11 -0.05 0.00 0.13 0.00 0.00 42.46 38.69 5r1r s ILE 53 CO -0.13 0.47 1.03 -1.59 -1.91 0.00 0.00 174.94 172.81 5r1r s LYS 54 N -1.28 3.59 0.28 3.50 -2.85 -1.26 -1.71 119.74 120.01 5r1r s LYS 54 Ca 0.37 1.07 0.01 0.00 -1.00 0.00 0.00 55.97 56.42 5r1r s LYS 54 Cb -0.22 -2.08 0.55 0.00 -2.06 0.00 0.00 37.83 34.02 5r1r s LYS 54 CO 0.26 -0.58 1.82 1.79 0.10 0.00 0.00 175.35 178.74 5r1r h THR 55 N 0.57 0.88 -0.86 3.79 1.35 -1.76 -1.56 112.91 115.33 5r1r h THR 55 Ca -0.47 -0.32 0.11 0.00 -0.55 0.00 0.00 66.41 65.19 5r1r h THR 55 Cb 1.20 -0.12 -0.06 0.00 -1.73 0.00 0.00 68.15 67.44 5r1r h THR 55 CO 0.59 0.17 0.55 0.77 -0.25 0.00 0.00 175.52 177.36 5r1r h SER 56 N 0.93 0.70 0.66 5.36 4.64 -1.92 0.19 113.55 124.11 5r1r h SER 56 Ca 0.49 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.68 5r1r h SER 56 Cb 0.53 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 5r1r h SER 56 CO -0.28 0.40 -0.75 0.44 -0.87 0.00 0.00 176.83 175.77 5r1r h ASP 57 N 0.77 0.09 -0.73 4.97 3.32 -1.67 -1.88 116.42 121.29 5r1r h ASP 57 Ca 0.41 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 5r1r h ASP 57 Cb 0.52 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 5r1r h ASP 57 CO -0.17 0.80 0.45 0.40 -1.72 0.00 0.00 179.24 179.00 5r1r h ILE 58 N 0.04 1.20 -0.19 0.35 1.08 -0.73 -0.60 117.51 118.66 5r1r h ILE 58 Ca -0.01 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 5r1r h ILE 58 Cb 1.32 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 5r1r h ILE 58 CO 0.10 0.21 -0.02 0.45 -0.69 0.00 0.00 178.15 178.21 5r1r h HIS 59 N 1.00 0.38 -0.35 1.37 3.86 -1.18 -0.96 115.15 119.27 5r1r h HIS 59 Ca 0.26 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 5r1r h HIS 59 Cb -0.05 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 5r1r h HIS 59 CO -0.01 0.57 0.09 0.93 0.86 0.00 0.00 177.93 180.36 5r1r h GLU 60 N 0.09 0.21 0.05 2.45 4.39 -1.10 0.32 114.58 120.99 5r1r h GLU 60 Ca 0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 5r1r h GLU 60 Cb 0.43 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 5r1r h GLU 60 CO 0.01 0.14 -0.03 1.15 -1.16 0.00 0.00 179.01 179.12 5r1r h THR 61 N 0.21 0.98 -0.78 1.13 2.02 -1.10 0.13 112.91 115.51 5r1r h THR 61 Ca 0.16 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 5r1r h THR 61 Cb 0.17 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 5r1r h THR 61 CO -0.20 0.03 0.29 0.16 0.37 0.00 0.00 175.52 176.17 5r1r h ILE 62 N -0.13 1.26 0.58 3.11 3.07 -0.90 0.93 117.51 125.44 5r1r h ILE 62 Ca -0.01 -0.85 -0.02 0.00 1.55 0.00 0.00 64.86 65.54 5r1r h ILE 62 Cb 0.11 0.35 -0.01 0.00 -0.27 0.00 0.00 36.82 37.00 5r1r h ILE 62 CO 0.01 0.34 -0.39 0.40 -1.05 0.00 0.00 178.15 177.47 5r1r h ILE 63 N 1.14 0.22 -0.19 0.16 2.04 -0.01 -1.88 117.51 118.98 5r1r h ILE 63 Ca 0.26 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.17 5r1r h ILE 63 Cb 0.24 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 5r1r h ILE 63 CO -0.02 0.00 -0.20 0.11 0.00 0.00 0.00 178.15 178.04 5r1r h LYS 64 N -0.93 -0.21 -0.84 2.37 1.57 -0.53 0.10 116.57 118.11 5r1r h LYS 64 Ca -0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 5r1r h LYS 64 Cb 0.76 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.98 5r1r h LYS 64 CO 0.05 -0.14 -0.41 0.00 -0.57 0.00 0.00 179.45 178.38 5r1r h ALA 65 N 0.84 -0.04 -0.16 3.86 0.00 -0.70 0.72 119.26 123.78 5r1r h ALA 65 Ca 0.12 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.25 5r1r h ALA 65 Cb 0.40 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 5r1r h ALA 65 CO -0.32 -0.71 0.06 0.00 0.00 0.00 0.00 179.25 178.28 5r1r h ALA 66 N 1.07 0.18 -0.78 0.00 0.00 -0.55 -3.06 119.26 116.12 5r1r h ALA 66 Ca 0.27 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.24 5r1r h ALA 66 Cb 0.56 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 5r1r h ALA 66 CO -0.86 -0.38 0.49 0.00 0.00 0.00 0.00 179.25 178.49 5r1r h ALA 67 N 1.09 1.03 0.00 0.00 0.00 0.20 -2.14 119.26 119.45 5r1r h ALA 67 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 5r1r h ALA 67 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 5r1r h ALA 67 CO -0.06 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 5r1r n ASP 68 N -4.63 0.58 -0.21 0.00 8.00 0.22 -1.57 116.55 118.94 5r1r n ASP 68 Ca 0.10 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.43 5r1r n ASP 68 Cb 0.12 -0.81 0.29 0.00 -0.02 0.00 0.00 41.12 40.69 5r1r n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 5r1r n LEU 69 N -2.22 1.02 -4.65 0.64 4.77 -0.80 -4.90 117.00 110.85 5r1r n LEU 69 Ca 0.00 -0.27 -0.49 0.00 -0.03 0.00 0.00 56.01 55.22 5r1r n LEU 69 Cb 0.11 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 5r1r n LEU 69 CO 0.13 0.20 1.16 -0.38 -1.33 0.00 0.00 177.39 177.17 5r1r n ILE 70 N -0.80 0.09 -3.94 -0.08 5.41 -0.61 -4.77 119.36 114.67 5r1r n ILE 70 Ca 0.10 -0.02 -0.09 0.00 1.00 0.00 0.00 62.75 63.74 5r1r n ILE 70 Cb 0.36 -1.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.90 5r1r n ILE 70 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 5r1r s SER 71 N 1.34 0.04 0.24 4.38 1.04 -1.15 -4.98 113.70 114.61 5r1r s SER 71 Ca 0.83 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 5r1r s SER 71 Cb -0.78 0.69 0.24 0.00 0.10 0.00 0.00 66.02 66.27 5r1r s SER 71 CO 0.44 -1.33 1.76 0.08 0.98 0.00 0.00 173.24 175.17 5r1r h ARG 72 N 2.12 1.00 0.00 4.02 0.11 -1.95 -2.72 114.38 116.96 5r1r h ARG 72 Ca -0.26 -0.23 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 5r1r h ARG 72 Cb 1.25 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 5r1r h ARG 72 CO 0.34 0.89 -0.08 -0.44 0.10 0.00 0.00 179.97 180.78 5r1r h ASP 73 N 0.96 0.00 -2.38 0.08 5.19 -1.96 -3.37 116.42 114.94 5r1r h ASP 73 Ca 0.20 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 56.03 5r1r h ASP 73 Cb 0.34 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.46 5r1r h ASP 73 CO 0.00 0.08 -0.93 0.00 -3.12 0.00 0.00 179.24 175.27 5r1r n ALA 74 N -2.12 2.91 0.16 3.45 0.00 -1.05 -4.96 120.51 118.90 5r1r n ALA 74 Ca 0.03 -3.45 0.04 0.00 0.00 0.00 0.00 53.44 50.07 5r1r n ALA 74 Cb 0.53 -0.81 0.12 0.00 0.00 0.00 0.00 19.45 19.29 5r1r n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 5r1r h PRO 75 N 5.18 0.00 0.00 0.00 0.14 -1.68 -3.02 132.00 132.63 5r1r h PRO 75 Ca 0.21 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.35 5r1r h PRO 75 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.01 5r1r h PRO 75 CO 0.46 0.44 0.00 -0.44 0.14 0.00 0.00 178.00 178.60 5r1r h ASP 76 N 0.00 0.00 -0.98 1.44 5.19 -1.89 -0.47 116.42 119.71 5r1r h ASP 76 Ca -0.00 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.60 5r1r h ASP 76 Cb 1.24 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.66 5r1r h ASP 76 CO 0.06 0.00 0.61 1.88 -3.12 0.00 0.00 179.24 178.67 5r1r h TYR 77 N 0.00 0.92 -0.93 4.55 0.05 -1.87 0.35 116.97 120.04 5r1r h TYR 77 Ca 0.00 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.94 5r1r h TYR 77 Cb 0.15 -0.28 -0.09 0.00 1.01 0.00 0.00 36.73 37.52 5r1r h TYR 77 CO 0.00 0.23 0.55 -0.56 -1.05 0.00 0.00 178.16 177.33 5r1r h GLN 78 N 0.68 0.82 -0.05 4.88 3.07 -1.33 0.13 115.11 123.31 5r1r h GLN 78 Ca 0.54 -0.05 -0.25 0.00 0.09 0.00 0.00 58.65 58.99 5r1r h GLN 78 Cb 0.96 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 28.35 5r1r h GLN 78 CO -0.31 0.54 -0.94 1.88 0.09 0.00 0.00 178.83 180.09 5r1r h TYR 79 N 0.84 0.98 -0.79 0.06 0.05 -0.56 -0.66 116.97 116.90 5r1r h TYR 79 Ca 0.48 -0.50 0.06 0.00 0.05 0.00 0.00 58.73 58.82 5r1r h TYR 79 Cb 0.56 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.11 5r1r h TYR 79 CO -0.03 1.33 0.48 1.25 -1.05 0.00 0.00 178.16 180.13 5r1r h LEU 80 N 0.42 0.74 -0.03 3.88 5.85 -0.46 0.46 115.31 126.17 5r1r h LEU 80 Ca -0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 5r1r h LEU 80 Cb 1.58 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 5r1r h LEU 80 CO 0.18 0.47 -0.00 0.00 -0.34 0.00 0.00 178.44 178.75 5r1r h ALA 81 N 1.38 0.04 -0.14 1.25 0.00 -0.80 -2.14 119.26 118.85 5r1r h ALA 81 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.12 5r1r h ALA 81 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 5r1r h ALA 81 CO -0.17 -0.28 -0.14 0.00 0.00 0.00 0.00 179.25 178.66 5r1r h ALA 82 N 0.68 -0.05 -0.62 0.00 0.00 -0.41 0.13 119.26 118.98 5r1r h ALA 82 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 5r1r h ALA 82 Cb 0.36 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 5r1r h ALA 82 CO 0.00 -0.59 0.41 0.00 0.00 0.00 0.00 179.25 179.07 5r1r h ARG 83 N -0.17 0.81 -0.25 0.00 3.08 -0.14 0.62 114.38 118.33 5r1r h ARG 83 Ca 0.10 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.14 5r1r h ARG 83 Cb 0.31 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 5r1r h ARG 83 CO -0.24 0.54 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.13 5r1r h LEU 84 N 0.84 -0.10 -0.91 3.04 3.38 -0.71 0.10 115.31 120.96 5r1r h LEU 84 Ca 0.23 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.31 5r1r h LEU 84 Cb -0.09 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 5r1r h LEU 84 CO -0.05 -0.02 0.58 0.00 0.09 0.00 0.00 178.44 179.04 5r1r h ALA 85 N 1.22 1.24 -0.40 1.53 0.00 -0.05 0.23 119.26 123.02 5r1r h ALA 85 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 85 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 5r1r h ALA 85 CO -0.20 0.36 0.22 0.82 0.00 0.00 0.00 179.25 180.45 5r1r h ILE 86 N 1.07 1.15 0.43 0.00 1.08 0.13 0.55 117.51 121.92 5r1r h ILE 86 Ca 0.39 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 5r1r h ILE 86 Cb 0.13 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 5r1r h ILE 86 CO -0.16 0.16 -0.29 0.15 -0.69 0.00 0.00 178.15 177.32 5r1r h PHE 87 N 0.52 -0.77 -0.50 1.37 3.04 -0.11 -0.42 116.94 120.07 5r1r h PHE 87 Ca 0.14 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.19 5r1r h PHE 87 Cb 0.06 0.28 -0.09 0.00 2.56 0.00 0.00 35.95 38.76 5r1r h PHE 87 CO -0.02 -0.44 -0.11 1.25 -2.02 0.00 0.00 178.31 176.97 5r1r h HIS 88 N -0.70 -0.23 0.00 0.41 2.76 -0.79 0.19 115.15 116.79 5r1r h HIS 88 Ca -0.04 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 5r1r h HIS 88 Cb 0.59 0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 5r1r h HIS 88 CO -0.12 -0.20 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.14 5r1r h LEU 89 N 0.02 0.00 0.38 0.26 3.38 -0.61 0.51 115.31 119.24 5r1r h LEU 89 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 5r1r h LEU 89 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 5r1r h LEU 89 CO -0.50 0.10 -0.18 0.03 0.09 0.00 0.00 178.44 177.98 5r1r h ARG 90 N 0.00 -0.49 -0.61 1.13 2.47 0.11 -2.52 114.38 114.47 5r1r h ARG 90 Ca -0.00 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.87 5r1r h ARG 90 Cb 0.21 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.55 5r1r h ARG 90 CO 0.01 -0.18 0.12 0.87 0.56 0.00 0.00 179.97 181.36 5r1r h LYS 91 N -0.91 0.24 -1.00 0.04 1.57 -1.15 0.16 116.57 115.53 5r1r h LYS 91 Ca -0.05 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.86 5r1r h LYS 91 Cb 0.54 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 5r1r h LYS 91 CO 0.09 0.16 0.62 -0.22 -0.57 0.00 0.00 179.45 179.53 5r1r h LYS 92 N 0.25 0.87 0.00 3.15 3.64 -0.91 0.41 116.57 123.98 5r1r h LYS 92 Ca 0.32 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.33 5r1r h LYS 92 Cb 0.48 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 5r1r h LYS 92 CO -0.42 0.58 -2.01 0.00 -2.27 0.00 0.00 179.45 175.33 5r1r n ALA 93 N -2.35 1.54 0.02 5.00 0.00 -0.08 -4.70 120.51 119.94 5r1r n ALA 93 Ca 0.20 -1.01 0.01 0.00 0.00 0.00 0.00 53.44 52.64 5r1r n ALA 93 Cb 0.44 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 5r1r n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 5r1r n TYR 94 N -2.89 0.00 0.00 0.00 4.01 0.37 -4.90 117.16 113.75 5r1r n TYR 94 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 5r1r n TYR 94 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 5r1r n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5r1r n GLY 95 N 2.02 2.63 1.62 2.72 0.00 0.12 -4.95 105.19 109.34 5r1r n GLY 95 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 5r1r n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLN 96 N -2.00 0.47 -0.04 1.61 10.64 -1.26 -4.90 117.38 121.90 5r1r n GLN 96 Ca 0.00 -1.67 -0.12 0.00 -1.83 0.00 0.00 57.00 53.38 5r1r n GLN 96 Cb 0.00 1.14 -0.14 0.00 -0.86 0.00 0.00 30.24 30.38 5r1r n GLN 96 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 5r1r n PHE 97 N -0.38 0.77 -2.44 2.61 7.35 -1.26 -2.53 117.46 121.58 5r1r n PHE 97 Ca 0.01 0.24 -0.43 0.00 -0.76 0.00 0.00 57.45 56.51 5r1r n PHE 97 Cb 0.30 -1.13 -0.02 0.00 0.35 0.00 0.00 39.48 38.98 5r1r n PHE 97 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 5r1r s GLU 98 N -2.56 3.88 0.35 -4.13 0.41 -1.26 -4.87 118.70 110.51 5r1r s GLU 98 Ca -0.12 1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 55.32 5r1r s GLU 98 Cb 0.07 -3.88 -0.11 0.00 -1.78 0.00 0.00 34.13 28.43 5r1r s GLU 98 CO 0.80 -1.16 1.53 -2.30 -0.49 0.00 0.00 175.26 173.63 5r1r n PRO 99 N 7.38 2.68 -0.70 0.39 -0.02 -1.26 -4.98 135.00 138.49 5r1r n PRO 99 Ca 0.15 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.25 5r1r n PRO 99 Cb 0.47 -2.69 0.16 0.00 -0.02 0.00 0.00 33.50 31.42 5r1r n PRO 99 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 5r1r n PRO 100 N 1.08 -1.04 -2.15 0.52 -0.04 -1.26 -4.93 135.00 127.18 5r1r n PRO 100 Ca 0.04 -0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 62.85 5r1r n PRO 100 Cb 0.38 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 5r1r n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5r1r s ALA 101 N -2.37 3.10 0.19 0.55 0.00 -1.26 -4.82 121.76 117.15 5r1r s ALA 101 Ca 0.59 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 5r1r s ALA 101 Cb -0.19 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 19.65 5r1r s ALA 101 CO 0.66 -0.75 1.64 1.25 0.00 0.00 0.00 175.76 178.56 5r1r h LEU 102 N 2.37 -0.60 -0.04 0.00 5.85 -1.91 -1.12 115.31 119.86 5r1r h LEU 102 Ca -0.49 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.42 5r1r h LEU 102 Cb 1.25 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.60 5r1r h LEU 102 CO 0.61 -0.20 -0.17 0.22 -0.34 0.00 0.00 178.44 178.56 5r1r h TYR 103 N -0.05 -0.43 -0.58 1.25 3.20 -1.91 0.96 116.97 119.41 5r1r h TYR 103 Ca 0.24 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.23 5r1r h TYR 103 Cb 0.42 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.81 5r1r h TYR 103 CO -0.46 -0.24 0.15 -0.44 -1.64 0.00 0.00 178.16 175.53 5r1r h ASP 104 N -0.25 0.07 0.20 -2.11 3.32 -1.78 0.31 116.42 116.17 5r1r h ASP 104 Ca 0.06 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 5r1r h ASP 104 Cb 0.34 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.01 5r1r h ASP 104 CO -0.18 0.05 -0.10 -0.74 -1.72 0.00 0.00 179.24 176.55 5r1r h HIS 105 N 0.30 -0.25 -0.35 4.55 2.76 -0.85 0.17 115.15 121.47 5r1r h HIS 105 Ca 0.30 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 5r1r h HIS 105 Cb 0.42 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 5r1r h HIS 105 CO -0.22 -0.07 0.13 0.28 -1.30 0.00 0.00 177.93 176.75 5r1r h VAL 106 N -0.38 0.91 0.02 5.26 2.07 -0.31 0.56 116.25 124.38 5r1r h VAL 106 Ca -0.03 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.42 5r1r h VAL 106 Cb 0.29 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 5r1r h VAL 106 CO 0.05 0.05 -0.26 0.58 0.02 0.00 0.00 177.57 178.01 5r1r h VAL 107 N 0.29 0.41 -0.49 2.57 2.07 -0.15 -0.59 116.25 120.36 5r1r h VAL 107 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 5r1r h VAL 107 Cb 0.12 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 5r1r h VAL 107 CO -0.15 0.00 0.13 0.50 0.02 0.00 0.00 177.57 178.07 5r1r h LYS 108 N -0.41 0.27 -0.34 1.57 3.64 -0.63 -1.79 116.57 118.88 5r1r h LYS 108 Ca 0.06 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 5r1r h LYS 108 Cb 0.49 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 5r1r h LYS 108 CO -0.22 0.18 -0.00 0.52 -2.27 0.00 0.00 179.45 177.66 5r1r h MET 109 N 0.28 0.52 -0.38 1.90 2.86 -0.45 -2.09 114.93 117.58 5r1r h MET 109 Ca 0.24 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 5r1r h MET 109 Cb 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 5r1r h MET 109 CO -0.29 0.55 -0.34 0.28 1.06 0.00 0.00 176.91 178.18 5r1r h VAL 110 N 0.50 1.28 -0.30 -2.22 2.07 -0.56 -1.31 116.25 115.71 5r1r h VAL 110 Ca 0.11 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.05 5r1r h VAL 110 Cb 0.33 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 5r1r h VAL 110 CO 0.01 0.50 -0.11 -0.33 0.02 0.00 0.00 177.57 177.66 5r1r h GLU 111 N 0.72 0.51 -0.00 1.57 5.08 -1.00 -2.40 114.58 119.06 5r1r h GLU 111 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 5r1r h GLU 111 Cb 0.91 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 5r1r h GLU 111 CO 0.08 0.62 -0.00 -1.33 -1.00 0.00 0.00 179.01 177.38 5r1r n MET 112 N -4.21 0.63 -1.08 2.33 2.81 -0.82 -4.91 117.12 111.87 5r1r n MET 112 Ca 0.01 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 5r1r n MET 112 Cb 0.32 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.32 5r1r n MET 112 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5r1r n GLY 113 N 1.19 0.59 0.09 3.03 0.00 -0.81 -4.91 105.19 104.37 5r1r n GLY 113 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 5r1r n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 5r1r n LYS 114 N -2.44 0.63 -4.32 1.61 4.76 -0.56 -4.81 118.16 113.03 5r1r n LYS 114 Ca -0.03 0.18 -0.29 0.00 -2.87 0.00 0.00 58.31 55.30 5r1r n LYS 114 Cb 0.15 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.47 5r1r n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 5r1r s TYR 115 N -2.90 2.50 0.32 2.13 2.02 -1.15 -4.45 117.35 115.82 5r1r s TYR 115 Ca -0.04 -0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.08 5r1r s TYR 115 Cb 0.09 -1.31 -0.12 0.00 -0.40 0.00 0.00 41.96 40.22 5r1r s TYR 115 CO 0.82 0.40 1.55 -3.47 -1.57 0.00 0.00 175.55 173.29 5r1r n ASP 116 N 0.69 3.79 0.21 2.29 -0.08 0.49 -4.50 116.55 119.44 5r1r n ASP 116 Ca -0.15 1.17 0.08 0.00 -1.51 0.00 0.00 54.79 54.38 5r1r n ASP 116 Cb 0.53 -1.60 0.42 0.00 2.34 0.00 0.00 41.12 42.82 5r1r n ASP 116 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 5r1r h ASN 117 N 4.18 0.00 0.00 1.67 7.08 -1.91 -2.58 115.58 124.01 5r1r h ASN 117 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 5r1r h ASN 117 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 5r1r h ASN 117 CO 0.74 0.30 0.09 0.45 -2.08 0.00 0.00 177.43 176.93 5r1r h HIS 118 N 0.00 0.00 -0.88 4.14 3.86 -1.99 -2.15 115.15 118.14 5r1r h HIS 118 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5r1r h HIS 118 Cb 0.77 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 5r1r h HIS 118 CO 0.00 0.00 0.55 -0.07 0.86 0.00 0.00 177.93 179.27 5r1r h LEU 119 N 0.00 1.04 -0.08 2.43 3.38 -1.85 0.31 115.31 120.55 5r1r h LEU 119 Ca 0.00 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 5r1r h LEU 119 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 5r1r h LEU 119 CO 0.00 0.79 -1.02 -0.07 0.09 0.00 0.00 178.44 178.23 5r1r h LEU 120 N 1.21 0.22 0.18 1.67 3.38 -1.61 -2.31 115.31 118.04 5r1r h LEU 120 Ca 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 5r1r h LEU 120 Cb -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.61 5r1r h LEU 120 CO -0.06 1.10 -0.09 -0.33 0.09 0.00 0.00 178.44 179.15 5r1r h GLU 121 N 0.06 -0.24 0.00 1.13 5.08 -1.35 -3.21 114.58 116.06 5r1r h GLU 121 Ca -0.06 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 5r1r h GLU 121 Cb 1.72 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 5r1r h GLU 121 CO 0.15 0.00 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.53 5r1r h ASP 122 N -0.45 0.00 -4.30 1.42 3.32 -0.47 -3.44 116.42 112.50 5r1r h ASP 122 Ca -0.03 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 5r1r h ASP 122 Cb 0.35 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.62 5r1r h ASP 122 CO 0.04 0.19 -0.83 -0.31 -1.72 0.00 0.00 179.24 176.62 5r1r s TYR 123 N -3.80 1.53 0.43 4.55 2.02 -0.87 -5.07 117.35 116.14 5r1r s TYR 123 Ca -0.00 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.30 5r1r s TYR 123 Cb 0.11 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.67 5r1r s TYR 123 CO 0.62 0.01 0.75 0.95 -1.57 0.00 0.00 175.55 176.31 5r1r s THR 124 N -0.58 4.88 0.27 -0.71 -4.23 -1.26 -4.63 115.64 109.38 5r1r s THR 124 Ca 0.06 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.92 5r1r s THR 124 Cb -0.07 -3.80 0.26 0.00 1.34 0.00 0.00 72.50 70.23 5r1r s THR 124 CO 0.00 -0.65 1.72 -0.08 -0.54 0.00 0.00 174.62 175.07 5r1r h GLU 125 N 0.81 0.44 -0.58 3.99 4.81 -1.99 0.70 114.58 122.76 5r1r h GLU 125 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 5r1r h GLU 125 Cb 1.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 5r1r h GLU 125 CO 0.63 0.29 0.36 1.49 -0.73 0.00 0.00 179.01 181.05 5r1r h GLU 126 N 0.45 0.78 -0.44 1.92 4.57 -1.99 0.14 114.58 120.01 5r1r h GLU 126 Ca 0.51 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.49 5r1r h GLU 126 Cb 0.87 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 5r1r h GLU 126 CO -0.47 0.53 -0.26 0.93 -1.18 0.00 0.00 179.01 178.57 5r1r h GLU 127 N 0.79 0.92 -0.53 1.92 5.08 -0.01 -2.34 114.58 120.42 5r1r h GLU 127 Ca 0.21 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 5r1r h GLU 127 Cb -0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 5r1r h GLU 127 CO -0.04 1.06 -0.11 0.74 -1.00 0.00 0.00 179.01 179.66 5r1r h PHE 128 N 0.79 1.10 -0.82 4.33 0.04 -0.57 -1.88 116.94 119.92 5r1r h PHE 128 Ca 0.10 -0.22 0.12 0.00 2.80 0.00 0.00 57.97 60.76 5r1r h PHE 128 Cb 0.82 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 38.61 5r1r h PHE 128 CO 0.05 1.02 0.45 0.87 -0.60 0.00 0.00 178.31 180.10 5r1r h LYS 129 N 0.88 0.68 -0.25 1.51 1.57 -0.56 -1.56 116.57 118.84 5r1r h LYS 129 Ca 0.14 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 5r1r h LYS 129 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 5r1r h LYS 129 CO 0.05 0.45 -0.51 0.37 -0.57 0.00 0.00 179.45 179.24 5r1r h GLN 130 N 0.70 0.78 -0.65 3.15 4.15 -1.10 -3.20 115.11 118.94 5r1r h GLN 130 Ca 0.42 -0.51 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 5r1r h GLN 130 Cb 0.49 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 5r1r h GLN 130 CO -0.30 1.13 0.34 0.52 -1.93 0.00 0.00 178.83 178.59 5r1r h MET 131 N 0.52 0.92 -1.00 1.69 2.86 -0.81 -2.40 114.93 116.71 5r1r h MET 131 Ca 0.01 -0.12 0.24 0.00 -2.06 0.00 0.00 59.70 57.77 5r1r h MET 131 Cb 1.11 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.51 5r1r h MET 131 CO 0.11 0.72 0.65 0.22 1.06 0.00 0.00 176.91 179.67 5r1r h ASP 132 N 0.90 0.48 0.94 1.22 1.82 -1.31 0.59 116.42 121.05 5r1r h ASP 132 Ca 0.23 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 5r1r h ASP 132 Cb 0.08 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.09 5r1r h ASP 132 CO -0.03 0.13 0.00 0.71 -1.61 0.00 0.00 179.24 178.44 5r1r h THR 133 N 0.45 0.00 0.26 2.25 1.35 -1.43 -2.91 112.91 112.87 5r1r h THR 133 Ca 0.57 -0.45 -0.34 0.00 -0.55 0.00 0.00 66.41 65.63 5r1r h THR 133 Cb 1.35 1.42 0.04 0.00 -1.73 0.00 0.00 68.15 69.22 5r1r h THR 133 CO -0.28 0.00 -1.50 -0.26 -0.25 0.00 0.00 175.52 173.23 5r1r h PHE 134 N 0.00 0.99 -2.69 4.73 0.04 0.17 -3.46 116.94 116.72 5r1r h PHE 134 Ca 0.00 -0.72 -0.60 0.00 2.80 0.00 0.00 57.97 59.45 5r1r h PHE 134 Cb 0.47 -0.04 0.12 0.00 2.20 0.00 0.00 35.95 38.70 5r1r h PHE 134 CO 0.00 1.57 0.14 -0.89 -0.60 0.00 0.00 178.31 178.53 5r1r n ILE 135 N -3.72 2.10 -3.71 -0.55 5.41 -0.99 -5.00 119.36 112.91 5r1r n ILE 135 Ca -0.17 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.78 5r1r n ILE 135 Cb 1.11 -1.06 -0.15 0.00 -0.71 0.00 0.00 39.64 38.83 5r1r n ILE 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 5r1r s ASP 136 N -0.61 3.91 0.52 4.38 -1.08 -1.26 -5.01 116.67 117.52 5r1r s ASP 136 Ca 0.60 -1.78 0.29 0.00 -0.52 0.00 0.00 52.55 51.14 5r1r s ASP 136 Cb -0.65 -0.84 1.36 0.00 -1.46 0.00 0.00 42.92 41.34 5r1r s ASP 136 CO 0.59 -0.39 2.01 0.45 0.52 0.00 0.00 175.17 178.35 5r1r h HIS 137 N 7.88 0.00 -0.38 -5.34 3.86 -1.96 -2.12 115.15 117.08 5r1r h HIS 137 Ca -0.11 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.21 5r1r h HIS 137 Cb 1.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 5r1r h HIS 137 CO 0.38 0.12 0.34 -0.44 0.86 0.00 0.00 177.93 179.19 5r1r h ASP 138 N 0.00 0.00 -0.01 2.45 3.32 -2.03 0.21 116.42 120.37 5r1r h ASP 138 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5r1r h ASP 138 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 5r1r h ASP 138 CO 0.02 0.00 0.02 0.03 -1.72 0.00 0.00 179.24 177.58 5r1r h ARG 139 N 0.00 0.00 -0.42 3.56 3.08 -1.79 -0.46 114.38 118.35 5r1r h ARG 139 Ca 0.18 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.35 5r1r h ARG 139 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 5r1r h ARG 139 CO -0.00 0.00 0.30 -0.44 -1.07 0.00 0.00 179.97 178.76 5r1r h ASP 140 N 0.00 0.01 0.20 7.04 3.32 -0.78 0.13 116.42 126.35 5r1r h ASP 140 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5r1r h ASP 140 Cb 0.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 5r1r h ASP 140 CO -0.00 0.01 0.00 0.23 -1.72 0.00 0.00 179.24 177.76 5r1r n MET 141 N -4.42 0.20 0.01 3.56 2.81 -0.18 -3.26 117.12 115.85 5r1r n MET 141 Ca 0.07 0.15 0.11 0.00 -1.81 0.00 0.00 57.70 56.22 5r1r n MET 141 Cb 0.49 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.54 5r1r n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 5r1r n THR 142 N -1.25 0.09 -2.11 2.03 -2.24 0.46 -4.89 114.28 106.37 5r1r n THR 142 Ca 0.06 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 5r1r n THR 142 Cb 0.09 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 5r1r n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 5r1r s PHE 143 N -3.11 2.62 0.31 4.78 0.08 -1.20 -5.04 117.98 116.41 5r1r s PHE 143 Ca 0.06 1.50 -0.03 0.00 0.12 0.00 0.00 56.93 58.58 5r1r s PHE 143 Cb 0.15 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.08 5r1r s PHE 143 CO 0.79 -1.96 0.55 -1.54 -0.10 0.00 0.00 175.22 172.96 5r1r s SER 144 N -1.39 6.38 0.24 1.36 1.04 -1.26 -4.69 113.70 115.38 5r1r s SER 144 Ca 0.70 0.62 -0.12 0.00 0.48 0.00 0.00 55.95 57.62 5r1r s SER 144 Cb -0.31 -2.10 0.32 0.00 0.10 0.00 0.00 66.02 64.03 5r1r s SER 144 CO 0.36 -0.23 1.58 0.22 0.98 0.00 0.00 173.24 176.15 5r1r h TYR 145 N 1.35 -0.59 -0.78 5.02 3.20 -1.58 0.31 116.97 123.90 5r1r h TYR 145 Ca -0.48 0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.49 5r1r h TYR 145 Cb 1.20 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.81 5r1r h TYR 145 CO 0.55 -0.37 0.51 0.00 -1.64 0.00 0.00 178.16 177.21 5r1r h ALA 146 N 1.69 1.01 -0.25 1.82 0.00 -1.88 -0.37 119.26 121.28 5r1r h ALA 146 Ca 0.38 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.28 5r1r h ALA 146 Cb 0.61 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 5r1r h ALA 146 CO -0.86 0.36 0.03 0.00 0.00 0.00 0.00 179.25 178.78 5r1r h ALA 147 N 1.31 0.24 -0.83 0.00 0.00 -0.63 0.91 119.26 120.27 5r1r h ALA 147 Ca 0.30 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 5r1r h ALA 147 Cb -0.06 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 5r1r h ALA 147 CO -0.08 -0.39 0.51 0.28 0.00 0.00 0.00 179.25 179.57 5r1r h VAL 148 N 0.12 1.23 -0.89 0.00 2.07 -0.23 0.65 116.25 119.19 5r1r h VAL 148 Ca 0.11 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.32 5r1r h VAL 148 Cb 0.13 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 5r1r h VAL 148 CO -0.17 0.23 0.49 0.50 0.02 0.00 0.00 177.57 178.64 5r1r h LYS 149 N 1.13 0.67 0.27 1.57 1.63 0.14 0.43 116.57 122.40 5r1r h LYS 149 Ca 0.30 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 5r1r h LYS 149 Cb -0.07 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 5r1r h LYS 149 CO -0.06 0.44 -0.13 1.96 -3.45 0.00 0.00 179.45 178.22 5r1r h GLN 150 N 0.69 -0.35 -0.52 1.90 1.08 0.32 0.37 115.11 118.61 5r1r h GLN 150 Ca 0.49 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.81 5r1r h GLN 150 Cb 0.68 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 28.09 5r1r h GLN 150 CO -0.35 -0.00 -0.05 -0.07 -0.95 0.00 0.00 178.83 177.41 5r1r h LEU 151 N -0.78 -0.32 -0.69 1.46 3.38 -0.37 0.43 115.31 118.41 5r1r h LEU 151 Ca -0.04 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 5r1r h LEU 151 Cb 0.51 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 5r1r h LEU 151 CO 0.06 -0.12 0.30 -0.08 0.09 0.00 0.00 178.44 178.69 5r1r h GLU 152 N 0.07 1.02 -0.06 1.13 4.81 -0.16 -0.15 114.58 121.23 5r1r h GLU 152 Ca 0.26 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 5r1r h GLU 152 Cb 0.40 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.62 5r1r h GLU 152 CO -0.47 0.83 -0.50 0.78 -0.73 0.00 0.00 179.01 178.92 5r1r h GLY 153 N 0.98 0.49 -1.58 1.92 0.00 0.70 -3.43 103.07 102.14 5r1r h GLY 153 Ca 0.23 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 5r1r h GLY 153 CO -0.02 0.66 -0.65 0.58 0.00 0.00 0.00 176.54 177.11 5r1r n LYS 154 N -4.26 0.00 0.03 4.80 2.85 0.14 -4.96 118.16 116.76 5r1r n LYS 154 Ca -0.09 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.89 5r1r n LYS 154 Cb 0.61 -0.35 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 5r1r n LYS 154 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 5r1r n TYR 155 N 0.14 -0.39 -1.81 5.58 4.02 -0.53 -4.67 117.16 119.51 5r1r n TYR 155 Ca 0.02 0.07 -0.41 0.00 -0.01 0.00 0.00 57.90 57.57 5r1r n TYR 155 Cb 0.83 0.23 -0.00 0.00 -0.02 0.00 0.00 39.34 40.37 5r1r n TYR 155 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 5r1r s LEU 156 N -6.07 4.31 0.02 7.72 1.43 -0.18 -4.32 118.68 121.58 5r1r s LEU 156 Ca 0.00 3.04 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 5r1r s LEU 156 Cb 0.00 -3.68 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 5r1r s LEU 156 CO 0.00 -0.88 1.70 -0.69 0.23 0.00 0.00 176.35 176.72 5r1r s VAL 157 N -1.12 3.23 0.29 -1.59 1.01 -1.26 -4.90 120.40 116.06 5r1r s VAL 157 Ca 0.53 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.96 5r1r s VAL 157 Cb -0.46 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 5r1r s VAL 157 CO 0.63 -0.02 0.39 0.00 0.00 0.00 0.00 175.10 176.09 5r1r s GLN 158 N 3.44 1.67 -0.32 2.72 -2.07 -1.26 -0.10 119.66 123.74 5r1r s GLN 158 Ca 0.76 -1.63 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 5r1r s GLN 158 Cb -0.38 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 31.93 5r1r s GLN 158 CO 0.33 -0.66 0.18 1.21 -1.32 0.00 0.00 175.29 175.03 5r1r s ASN 159 N -3.18 5.75 0.21 12.60 3.84 0.13 -4.93 114.94 129.36 5r1r s ASN 159 Ca 0.31 -0.46 0.25 0.00 0.21 0.00 0.00 52.86 53.18 5r1r s ASN 159 Cb 0.01 -2.05 0.88 0.00 -0.55 0.00 0.00 41.25 39.54 5r1r s ASN 159 CO 0.17 -0.20 1.76 0.54 -2.79 0.00 0.00 177.10 176.58 5r1r n ARG 160 N 5.03 0.23 0.00 0.43 1.74 -1.26 0.03 116.66 122.85 5r1r n ARG 160 Ca -0.13 0.27 -0.00 0.00 -0.77 0.00 0.00 57.85 57.21 5r1r n ARG 160 Cb 0.49 -1.81 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 5r1r n ARG 160 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 5r1r h VAL 161 N 0.00 0.00 -0.50 1.55 2.07 -1.97 -3.37 116.25 114.02 5r1r h VAL 161 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 5r1r h VAL 161 Cb 0.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 5r1r h VAL 161 CO 0.00 0.00 0.27 0.71 0.02 0.00 0.00 177.57 178.57 5r1r h THR 162 N -0.20 1.16 0.00 2.57 1.35 -2.01 -3.46 112.91 112.32 5r1r h THR 162 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 5r1r h THR 162 Cb 0.02 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 5r1r h THR 162 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 5r1r n GLY 163 N -1.30 0.67 3.63 5.82 0.00 0.10 -5.04 105.19 109.08 5r1r n GLY 163 Ca 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 5r1r n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 5r1r n GLU 164 N -2.00 1.71 -3.81 1.61 1.02 -1.21 -4.69 120.64 113.28 5r1r n GLU 164 Ca 0.00 0.62 -0.35 0.00 -0.02 0.00 0.00 57.16 57.41 5r1r n GLU 164 Cb 0.00 -2.33 -0.09 0.00 -0.02 0.00 0.00 31.44 29.00 5r1r n GLU 164 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 5r1r s ILE 165 N 0.73 5.21 -0.68 -3.67 1.09 -1.26 0.19 121.20 122.82 5r1r s ILE 165 Ca 0.81 0.12 0.21 0.00 -1.10 0.00 0.00 60.65 60.69 5r1r s ILE 165 Cb -0.80 -3.37 -0.26 0.00 -1.06 0.00 0.00 42.46 36.97 5r1r s ILE 165 CO 0.42 0.44 0.75 -1.22 -0.10 0.00 0.00 174.94 175.22 5r1r n TYR 166 N 3.59 0.00 -4.27 3.97 4.01 0.86 -4.07 117.16 121.25 5r1r n TYR 166 Ca -0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.39 5r1r n TYR 166 Cb 0.52 -0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 5r1r n TYR 166 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 5r1r s GLU 167 N -3.11 1.72 0.12 -0.72 -1.05 -1.23 -4.94 118.70 109.49 5r1r s GLU 167 Ca 0.03 -1.98 0.10 0.00 -0.15 0.00 0.00 54.97 52.96 5r1r s GLU 167 Cb 0.15 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 5r1r s GLU 167 CO 0.86 -0.63 -0.24 -1.54 0.95 0.00 0.00 175.26 174.65 5r1r s SER 168 N -3.35 3.00 0.32 0.83 1.04 -1.26 -4.88 113.70 109.39 5r1r s SER 168 Ca 0.40 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 56.19 5r1r s SER 168 Cb 0.03 -0.19 0.95 0.00 0.10 0.00 0.00 66.02 66.91 5r1r s SER 168 CO 0.26 0.12 1.63 0.00 0.98 0.00 0.00 173.24 176.24 5r1r h ALA 169 N 3.90 1.64 -0.19 5.32 0.00 -1.99 -1.33 119.26 126.60 5r1r h ALA 169 Ca -0.49 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 5r1r h ALA 169 Cb 1.18 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 5r1r h ALA 169 CO 0.40 -0.59 -0.14 1.96 0.00 0.00 0.00 179.25 180.88 5r1r h GLN 170 N 0.20 0.31 -0.18 0.00 1.08 -1.94 -1.48 115.11 113.10 5r1r h GLN 170 Ca 0.67 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.65 5r1r h GLN 170 Cb 1.50 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 5r1r h GLN 170 CO -0.69 0.46 -0.47 0.74 -0.95 0.00 0.00 178.83 177.92 5r1r h PHE 171 N 0.29 0.57 0.39 2.96 0.04 -1.67 -0.87 116.94 118.66 5r1r h PHE 171 Ca 0.06 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 5r1r h PHE 171 Cb 0.43 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 5r1r h PHE 171 CO 0.01 0.86 -0.29 1.25 -0.60 0.00 0.00 178.31 179.54 5r1r h LEU 172 N 0.38 -0.75 -0.23 1.54 6.46 -1.00 0.98 115.31 122.69 5r1r h LEU 172 Ca 0.02 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 5r1r h LEU 172 Cb 0.97 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 41.06 5r1r h LEU 172 CO 0.09 -0.41 -0.25 1.88 -0.62 0.00 0.00 178.44 179.12 5r1r h TYR 173 N -0.65 -0.68 -0.88 1.25 0.05 -1.25 0.12 116.97 114.93 5r1r h TYR 173 Ca -0.05 0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.84 5r1r h TYR 173 Cb 0.53 0.33 -0.06 0.00 1.01 0.00 0.00 36.73 38.54 5r1r h TYR 173 CO -0.08 -0.33 0.54 0.97 -1.05 0.00 0.00 178.16 178.22 5r1r h ILE 174 N -0.27 1.03 0.00 -2.88 6.09 -1.09 0.96 117.51 121.35 5r1r h ILE 174 Ca 0.13 -0.34 -0.18 0.00 -1.37 0.00 0.00 64.86 63.10 5r1r h ILE 174 Cb 0.47 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 37.71 5r1r h ILE 174 CO -0.38 0.18 -0.83 -0.07 -3.07 0.00 0.00 178.15 173.97 5r1r h LEU 175 N 0.98 0.11 -0.35 2.19 3.38 -0.05 -0.13 115.31 121.45 5r1r h LEU 175 Ca 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.27 5r1r h LEU 175 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 5r1r h LEU 175 CO -0.19 0.89 0.23 0.58 0.09 0.00 0.00 178.44 180.05 5r1r h VAL 176 N 0.05 1.08 0.18 1.22 2.07 0.06 0.31 116.25 121.22 5r1r h VAL 176 Ca -0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.34 5r1r h VAL 176 Cb 1.46 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 5r1r h VAL 176 CO 0.12 0.08 -0.38 0.00 0.02 0.00 0.00 177.57 177.41 5r1r h ALA 177 N 1.13 -0.93 -0.65 1.67 0.00 -0.55 -1.63 119.26 118.30 5r1r h ALA 177 Ca 0.13 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.07 5r1r h ALA 177 Cb -0.05 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 5r1r h ALA 177 CO -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 179.25 178.25 5r1r h ALA 178 N -0.93 0.68 0.01 0.00 0.00 -0.18 -1.42 119.26 117.42 5r1r h ALA 178 Ca -0.02 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 5r1r h ALA 178 Cb 0.58 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 5r1r h ALA 178 CO -0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 179.25 178.71 5r1r h LEU 180 N -0.09 0.00 -3.21 0.00 3.38 -0.55 -2.36 115.31 112.48 5r1r h LEU 180 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 5r1r h LEU 180 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 5r1r h LEU 180 CO 0.00 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.13 5r1r n PHE 181 N -3.85 0.84 -0.27 1.13 3.72 -0.61 -4.70 117.46 113.72 5r1r n PHE 181 Ca -0.02 -0.86 0.05 0.00 -0.05 0.00 0.00 57.45 56.57 5r1r n PHE 181 Cb 0.21 -0.28 0.27 0.00 -0.94 0.00 0.00 39.48 38.74 5r1r n PHE 181 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 5r1r h SER 182 N 1.69 0.85 -0.02 4.37 4.64 -0.59 -1.55 113.55 122.93 5r1r h SER 182 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 5r1r h SER 182 Cb 1.36 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 5r1r h SER 182 CO 0.19 0.54 0.00 0.59 -0.87 0.00 0.00 176.83 177.28 5r1r n ASN 183 N -4.49 0.11 -4.81 4.97 4.13 -1.26 -4.88 115.26 109.03 5r1r n ASN 183 Ca 0.13 -1.77 -0.33 0.00 1.68 0.00 0.00 54.58 54.29 5r1r n ASN 183 Cb 0.21 -0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.39 5r1r n ASN 183 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 5r1r s TYR 184 N -1.98 3.16 0.26 3.10 1.51 -0.59 -4.99 117.35 117.82 5r1r s TYR 184 Ca 0.12 1.58 -0.30 0.00 -1.01 0.00 0.00 57.07 57.46 5r1r s TYR 184 Cb 0.06 -2.95 -0.14 0.00 -0.11 0.00 0.00 41.96 38.82 5r1r s TYR 184 CO 0.10 -0.52 1.28 -0.35 -1.11 0.00 0.00 175.55 174.95 5r1r n PRO 185 N -0.95 1.81 -0.31 -1.71 -0.04 -1.26 -4.54 135.00 127.99 5r1r n PRO 185 Ca 0.08 0.64 0.19 0.00 -0.04 0.00 0.00 63.50 64.37 5r1r n PRO 185 Cb 0.53 -2.21 0.45 0.00 -0.04 0.00 0.00 33.50 32.23 5r1r n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5r1r h ARG 186 N 3.42 0.49 -0.95 0.54 2.47 -1.96 0.19 114.38 118.58 5r1r h ARG 186 Ca -0.44 -0.03 0.25 0.00 -1.26 0.00 0.00 59.98 58.50 5r1r h ARG 186 Cb 1.30 -0.11 -0.13 0.00 -1.65 0.00 0.00 29.97 29.38 5r1r h ARG 186 CO 0.70 0.33 0.48 1.49 0.56 0.00 0.00 179.97 183.53 5r1r h GLU 187 N 0.51 0.42 0.00 0.04 4.81 -2.04 -3.28 114.58 115.04 5r1r h GLU 187 Ca 0.57 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 5r1r h GLU 187 Cb 1.25 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 5r1r h GLU 187 CO -0.30 0.28 -1.06 0.25 -0.73 0.00 0.00 179.01 177.45 5r1r n THR 188 N -5.00 0.00 -0.12 0.32 -2.24 0.50 -4.86 114.28 102.88 5r1r n THR 188 Ca 0.25 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.97 5r1r n THR 188 Cb 0.74 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 5r1r n THR 188 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 5r1r n ARG 189 N -1.57 -0.13 0.24 -0.78 0.63 -0.28 -1.44 116.66 113.33 5r1r n ARG 189 Ca -0.00 0.84 0.12 0.00 -0.92 0.00 0.00 57.85 57.88 5r1r n ARG 189 Cb 0.06 -1.24 0.53 0.00 0.45 0.00 0.00 32.46 32.26 5r1r n ARG 189 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 5r1r h LEU 190 N 0.00 0.00 -0.36 6.15 3.38 -1.87 0.12 115.31 122.74 5r1r h LEU 190 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 5r1r h LEU 190 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 5r1r h LEU 190 CO -0.28 0.17 -0.05 -0.61 0.09 0.00 0.00 178.44 177.76 5r1r h GLN 191 N 0.00 0.66 -0.07 1.13 4.15 -1.58 -1.88 115.11 117.52 5r1r h GLN 191 Ca -0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 5r1r h GLN 191 Cb 0.66 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 5r1r h GLN 191 CO 0.02 0.80 0.04 1.88 -1.93 0.00 0.00 178.83 179.65 5r1r h TYR 192 N 0.46 0.10 -0.30 3.99 0.05 -0.96 -1.27 116.97 119.04 5r1r h TYR 192 Ca 0.10 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.94 5r1r h TYR 192 Cb 0.54 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.17 5r1r h TYR 192 CO 0.04 0.14 -0.27 0.28 -1.05 0.00 0.00 178.16 177.30 5r1r h VAL 193 N 0.03 0.33 0.34 -2.88 2.07 -0.88 -1.47 116.25 113.79 5r1r h VAL 193 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 5r1r h VAL 193 Cb 0.07 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 5r1r h VAL 193 CO -0.00 0.00 -0.19 0.50 0.02 0.00 0.00 177.57 177.90 5r1r h LYS 194 N -0.25 -0.48 -0.64 1.57 3.64 -1.12 -0.84 116.57 118.46 5r1r h LYS 194 Ca 0.15 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 5r1r h LYS 194 Cb 0.49 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 5r1r h LYS 194 CO -0.45 -0.32 0.12 0.00 -2.27 0.00 0.00 179.45 176.53 5r1r h ARG 195 N -0.50 0.23 -0.13 1.90 3.08 -0.74 0.22 114.38 118.45 5r1r h ARG 195 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 5r1r h ARG 195 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 5r1r h ARG 195 CO 0.05 0.15 0.00 0.35 -1.07 0.00 0.00 179.97 179.46 5r1r h PHE 196 N 0.24 0.25 -0.13 3.04 3.57 -1.21 -1.20 116.94 121.50 5r1r h PHE 196 Ca 0.34 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.84 5r1r h PHE 196 Cb 0.53 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 5r1r h PHE 196 CO -0.27 0.46 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.98 5r1r h TYR 197 N -0.04 -1.04 -0.21 0.41 3.20 -0.32 0.17 116.97 119.13 5r1r h TYR 197 Ca 0.04 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.00 5r1r h TYR 197 Cb 0.36 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 5r1r h TYR 197 CO 0.03 -0.44 -0.42 -0.44 -1.64 0.00 0.00 178.16 175.25 5r1r h ASP 198 N -0.45 -1.36 -0.51 -2.11 3.32 -0.91 0.32 116.42 114.73 5r1r h ASP 198 Ca 0.09 0.19 0.10 0.00 0.02 0.00 0.00 57.03 57.43 5r1r h ASP 198 Cb 0.59 0.56 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 5r1r h ASP 198 CO -0.37 -0.41 -0.24 0.00 -1.72 0.00 0.00 179.24 176.50 5r1r h ALA 199 N 0.20 0.12 -0.05 3.45 0.00 0.08 0.67 119.26 123.73 5r1r h ALA 199 Ca 0.09 0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 5r1r h ALA 199 Cb 0.61 0.59 0.01 0.00 0.00 0.00 0.00 17.79 19.00 5r1r h ALA 199 CO -0.45 -0.57 -0.88 -0.39 0.00 0.00 0.00 179.25 176.95 5r1r h VAL 200 N -0.12 1.34 0.00 0.00 -1.51 -0.42 0.12 116.25 115.66 5r1r h VAL 200 Ca 0.23 -2.24 -0.06 0.00 -1.23 0.00 0.00 66.70 63.41 5r1r h VAL 200 Cb 0.49 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 5r1r h VAL 200 CO -0.59 0.68 -0.28 0.77 -1.23 0.00 0.00 177.57 176.93 5r1r h SER 201 N 0.34 0.00 -0.79 4.19 4.64 0.52 -1.00 113.55 121.46 5r1r h SER 201 Ca -0.07 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.97 5r1r h SER 201 Cb 1.51 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.43 5r1r h SER 201 CO 0.16 0.28 0.34 0.35 -0.87 0.00 0.00 176.83 177.09 5r1r n THR 202 N -3.60 2.99 -2.33 2.95 -2.24 0.15 -4.94 114.28 107.26 5r1r n THR 202 Ca -0.01 -1.72 -0.14 0.00 -2.27 0.00 0.00 64.05 59.91 5r1r n THR 202 Cb 0.41 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 5r1r n THR 202 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 5r1r n PHE 203 N -0.37 -1.24 0.09 4.78 3.72 -0.38 -4.86 117.46 119.19 5r1r n PHE 203 Ca 0.45 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.69 5r1r n PHE 203 Cb 1.45 -2.94 -0.09 0.00 -0.94 0.00 0.00 39.48 36.96 5r1r n PHE 203 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 5r1r h LYS 204 N 0.00 0.39 -5.24 -1.08 6.56 -0.99 -3.40 116.57 112.80 5r1r h LYS 204 Ca -0.32 -0.51 -0.67 0.00 -1.06 0.00 0.00 60.65 58.09 5r1r h LYS 204 Cb 1.21 0.17 -0.30 0.00 -0.57 0.00 0.00 32.23 32.73 5r1r h LYS 204 CO 0.39 1.19 -0.81 0.42 -2.06 0.00 0.00 179.45 178.57 5r1r s ILE 205 N -3.00 2.59 0.19 1.86 1.01 -1.21 -0.56 121.20 122.07 5r1r s ILE 205 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 5r1r s ILE 205 Cb 0.08 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 5r1r s ILE 205 CO 0.88 0.53 0.41 -0.44 0.00 0.00 0.00 174.94 176.32 5r1r s SER 206 N 0.66 6.45 -0.01 3.58 0.01 0.22 -4.53 113.70 120.08 5r1r s SER 206 Ca -0.08 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.76 5r1r s SER 206 Cb -0.16 -2.08 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 5r1r s SER 206 CO 0.02 -0.02 -0.09 -0.76 0.41 0.00 0.00 173.24 172.80 5r1r s LEU 207 N -3.03 1.92 0.66 2.44 1.43 -1.26 -1.96 118.68 118.89 5r1r s LEU 207 Ca 0.41 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 5r1r s LEU 207 Cb -0.11 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 5r1r s LEU 207 CO 0.27 0.09 0.90 -0.81 0.23 0.00 0.00 176.35 177.03 5r1r n PRO 208 N 3.03 0.66 -0.08 1.29 -0.04 -1.26 -4.68 135.00 133.92 5r1r n PRO 208 Ca -0.15 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 5r1r n PRO 208 Cb 0.56 -2.14 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 5r1r n PRO 208 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 5r1r h THR 209 N 0.09 0.55 -0.92 0.52 2.02 -1.97 -1.97 112.91 111.23 5r1r h THR 209 Ca -0.48 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.81 5r1r h THR 209 Cb 1.35 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.23 5r1r h THR 209 CO 0.48 0.00 0.55 1.55 0.37 0.00 0.00 175.52 178.47 5r1r h PRO 210 N -0.09 0.86 0.48 6.66 0.13 -1.92 0.42 132.00 138.55 5r1r h PRO 210 Ca 0.16 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 5r1r h PRO 210 Cb 0.34 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.28 5r1r h PRO 210 CO -0.38 0.57 -0.23 0.82 -0.23 0.00 0.00 178.00 178.55 5r1r h ILE 211 N 0.89 0.00 -1.03 -3.56 2.04 -1.63 -0.94 117.51 113.28 5r1r h ILE 211 Ca 0.45 -0.19 0.26 0.00 1.00 0.00 0.00 64.86 66.38 5r1r h ILE 211 Cb 0.44 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.42 5r1r h ILE 211 CO -0.26 0.00 0.66 0.24 0.00 0.00 0.00 178.15 178.78 5r1r h MET 212 N -0.83 0.42 0.05 2.37 2.86 -0.88 -1.33 114.93 117.59 5r1r h MET 212 Ca -0.07 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.28 5r1r h MET 212 Cb 0.49 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 5r1r h MET 212 CO 0.11 0.28 -1.35 0.66 1.06 0.00 0.00 176.91 177.67 5r1r h SER 213 N 0.43 0.18 0.01 1.22 4.64 -0.98 -3.44 113.55 115.61 5r1r h SER 213 Ca 0.59 -0.23 -0.36 0.00 -0.47 0.00 0.00 61.79 61.32 5r1r h SER 213 Cb 1.43 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 5r1r h SER 213 CO -0.31 1.19 -1.98 0.61 -0.87 0.00 0.00 176.83 175.47 5r1r n GLY 214 N 1.52 -0.61 3.57 -0.77 0.00 -0.36 -4.83 105.19 103.70 5r1r n GLY 214 Ca -0.10 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 5r1r n GLY 214 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5r1r n VAL 215 N -4.18 0.31 0.00 1.61 0.31 -0.63 -0.64 118.33 115.10 5r1r n VAL 215 Ca -0.43 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.47 5r1r n VAL 215 Cb 0.83 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 5r1r n VAL 215 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 5r1r n ARG 216 N 8.66 0.00 -3.17 5.55 1.85 -1.26 -4.33 116.66 123.96 5r1r n ARG 216 Ca 0.32 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.99 5r1r n ARG 216 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 5r1r n ARG 216 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 5r1r s THR 217 N -0.97 2.86 -0.35 8.89 -4.23 0.18 -0.38 115.64 121.63 5r1r s THR 217 Ca 0.00 -1.10 0.22 0.00 -1.18 0.00 0.00 61.69 59.63 5r1r s THR 217 Cb 0.00 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 71.11 5r1r s THR 217 CO 0.00 0.00 1.68 -2.65 -0.54 0.00 0.00 174.62 173.11 5r1r n PRO 218 N -1.78 0.17 -1.15 3.99 -0.02 -1.26 -4.28 135.00 130.66 5r1r n PRO 218 Ca 0.07 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 5r1r n PRO 218 Cb 0.60 -1.91 0.19 0.00 -0.02 0.00 0.00 33.50 32.36 5r1r n PRO 218 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 5r1r s THR 219 N -3.43 1.96 0.00 3.45 -1.32 -1.26 -4.98 115.64 110.06 5r1r s THR 219 Ca 0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 5r1r s THR 219 Cb 0.08 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 5r1r s THR 219 CO 0.29 0.00 0.82 0.54 -2.21 0.00 0.00 174.62 174.06 5r1r n ARG 220 N -4.28 0.00 -3.66 7.08 5.12 -1.26 -4.93 116.66 114.73 5r1r n ARG 220 Ca 0.06 -0.67 -0.39 0.00 -1.93 0.00 0.00 57.85 54.92 5r1r n ARG 220 Cb 0.58 -0.34 -0.11 0.00 -1.16 0.00 0.00 32.46 31.42 5r1r n ARG 220 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 5r1r s GLN 221 N 0.00 2.69 0.00 5.56 -1.52 -1.26 -0.75 119.66 124.38 5r1r s GLN 221 Ca 0.00 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.21 5r1r s GLN 221 Cb 0.00 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 5r1r s GLN 221 CO 0.00 -0.74 0.51 1.19 -0.25 0.00 0.00 175.29 176.00 5r1r n PHE 222 N 4.91 0.00 -1.65 0.91 3.72 -1.26 -4.93 117.46 119.16 5r1r n PHE 222 Ca -0.12 -0.11 -0.49 0.00 -0.05 0.00 0.00 57.45 56.69 5r1r n PHE 222 Cb 0.45 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 5r1r n PHE 222 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 5r1r n SER 223 N -0.11 2.65 -0.13 4.37 3.41 -1.26 -4.57 113.62 117.98 5r1r n SER 223 Ca 0.00 1.08 -0.24 0.00 -0.26 0.00 0.00 58.87 59.45 5r1r n SER 223 Cb 0.16 -1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 62.67 5r1r n SER 223 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 5r1r n SER 224 N 3.54 1.95 -3.67 4.04 7.64 -1.26 -4.43 113.62 121.42 5r1r n SER 224 Ca 0.18 0.14 -0.15 0.00 1.01 0.00 0.00 58.87 60.06 5r1r n SER 224 Cb 0.25 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 5r1r n SER 224 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5r1r s VAL 226 N -1.05 2.36 -0.17 0.00 -7.23 -0.54 -0.95 120.40 112.81 5r1r s VAL 226 Ca -0.11 -2.37 0.00 0.00 -1.81 0.00 0.00 61.98 57.70 5r1r s VAL 226 Cb -0.03 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.66 5r1r s VAL 226 CO 0.06 -0.41 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.58 5r1r s LEU 227 N -3.49 1.90 0.02 1.32 1.02 0.91 -1.73 118.68 118.62 5r1r s LEU 227 Ca 0.29 -0.72 0.07 0.00 0.02 0.00 0.00 54.13 53.79 5r1r s LEU 227 Cb -0.04 -1.09 -0.03 0.00 0.02 0.00 0.00 46.19 45.05 5r1r s LEU 227 CO 0.14 -0.14 -0.20 -0.63 0.02 0.00 0.00 176.35 175.54 5r1r s ILE 228 N 1.51 2.65 -0.16 -0.59 1.01 -0.44 -2.41 121.20 122.77 5r1r s ILE 228 Ca 0.01 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.56 5r1r s ILE 228 Cb -0.15 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.27 5r1r s ILE 228 CO -0.08 0.42 -0.20 -0.70 0.00 0.00 0.00 174.94 174.38 5r1r s GLU 229 N -1.16 3.03 -0.11 2.79 2.12 -1.26 -1.25 118.70 122.86 5r1r s GLU 229 Ca 0.13 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.49 5r1r s GLU 229 Cb -0.10 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 5r1r s GLU 229 CO 0.03 -0.09 0.31 0.00 -0.54 0.00 0.00 175.26 174.97 5r1r s GLY 231 N -0.19 1.66 -1.42 0.00 0.00 -1.26 -4.56 107.32 101.55 5r1r s GLY 231 Ca 0.19 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 5r1r s GLY 231 CO 0.07 -0.57 2.19 1.34 0.00 0.00 0.00 173.10 176.13 5r1r n ASP 232 N -2.63 4.68 -3.59 1.64 2.03 -1.26 -4.29 116.55 113.13 5r1r n ASP 232 Ca 0.06 -2.91 -0.14 0.00 0.52 0.00 0.00 54.79 52.32 5r1r n ASP 232 Cb 0.59 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.33 5r1r n ASP 232 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 5r1r s SER 233 N 2.39 -0.64 0.26 1.67 1.04 -1.26 -4.94 113.70 112.22 5r1r s SER 233 Ca 0.47 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 5r1r s SER 233 Cb 0.13 1.00 0.49 0.00 0.10 0.00 0.00 66.02 67.74 5r1r s SER 233 CO -0.06 -0.35 1.79 -0.07 0.98 0.00 0.00 173.24 175.53 5r1r h LEU 234 N 4.06 0.66 -0.35 2.42 3.38 -1.98 0.39 115.31 123.90 5r1r h LEU 234 Ca -0.27 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.84 5r1r h LEU 234 Cb 1.16 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 5r1r h LEU 234 CO 0.18 0.33 -0.15 0.44 0.09 0.00 0.00 178.44 179.33 5r1r h ASP 235 N 0.76 -0.52 -0.27 -0.43 3.32 -1.95 0.40 116.42 117.72 5r1r h ASP 235 Ca 0.45 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.58 5r1r h ASP 235 Cb 0.52 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 5r1r h ASP 235 CO -0.30 -0.19 -0.02 -1.28 -1.72 0.00 0.00 179.24 175.73 5r1r h SER 236 N -0.09 0.49 -0.26 6.45 0.87 -1.20 0.13 113.55 119.94 5r1r h SER 236 Ca 0.18 -0.33 0.06 0.00 -1.23 0.00 0.00 61.79 60.47 5r1r h SER 236 Cb 0.36 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 5r1r h SER 236 CO -0.41 0.70 -0.20 0.40 -0.53 0.00 0.00 176.83 176.79 5r1r h ILE 237 N 0.27 0.46 0.18 2.23 2.04 0.30 0.58 117.51 123.58 5r1r h ILE 237 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 5r1r h ILE 237 Cb 0.46 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 5r1r h ILE 237 CO 0.02 0.00 -0.38 0.78 0.00 0.00 0.00 178.15 178.57 5r1r h ASN 238 N -0.19 -1.09 -0.20 1.72 2.35 -0.04 -0.45 115.58 117.68 5r1r h ASN 238 Ca 0.14 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 56.07 5r1r h ASN 238 Cb 0.41 0.40 -0.07 0.00 0.05 0.00 0.00 38.32 39.11 5r1r h ASN 238 CO -0.37 -0.48 -0.26 0.00 -1.65 0.00 0.00 177.43 174.67 5r1r h ALA 239 N -0.14 -0.20 -0.47 -0.83 0.00 -0.35 0.27 119.26 117.55 5r1r h ALA 239 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.07 5r1r h ALA 239 Cb 0.66 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 5r1r h ALA 239 CO -0.18 -0.70 -0.34 1.15 0.00 0.00 0.00 179.25 179.17 5r1r h THR 240 N -0.29 0.19 -0.51 0.00 2.02 0.45 0.41 112.91 115.19 5r1r h THR 240 Ca 0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.38 5r1r h THR 240 Cb 0.48 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 5r1r h THR 240 CO -0.36 0.00 0.16 -1.28 0.37 0.00 0.00 175.52 174.41 5r1r h SER 241 N -0.23 0.14 -0.36 4.18 0.87 0.26 0.62 113.55 119.03 5r1r h SER 241 Ca 0.19 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 5r1r h SER 241 Cb 0.55 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 5r1r h SER 241 CO -0.59 0.11 0.24 0.28 -0.53 0.00 0.00 176.83 176.33 5r1r h SER 242 N 0.33 0.40 -0.08 6.23 0.02 0.12 -0.58 113.55 119.99 5r1r h SER 242 Ca 0.25 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 5r1r h SER 242 Cb 0.29 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 5r1r h SER 242 CO -0.27 0.29 -0.09 0.00 -1.14 0.00 0.00 176.83 175.62 5r1r h ALA 243 N 1.14 -0.03 -0.32 3.77 0.00 -0.53 -1.39 119.26 121.90 5r1r h ALA 243 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.15 5r1r h ALA 243 Cb -0.05 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 5r1r h ALA 243 CO -0.04 -0.56 -0.14 0.82 0.00 0.00 0.00 179.25 179.33 5r1r h ILE 244 N -0.12 0.54 -0.24 0.00 2.04 -0.38 -0.89 117.51 118.47 5r1r h ILE 244 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 5r1r h ILE 244 Cb 0.21 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 5r1r h ILE 244 CO -0.16 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.55 5r1r h VAL 245 N -0.09 0.80 -0.48 1.67 2.07 -0.65 0.18 116.25 119.75 5r1r h VAL 245 Ca 0.17 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.71 5r1r h VAL 245 Cb 0.34 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 5r1r h VAL 245 CO -0.38 0.01 0.23 0.11 0.02 0.00 0.00 177.57 177.55 5r1r h LYS 246 N 0.04 0.44 -0.23 1.57 1.79 -0.62 -2.59 116.57 116.97 5r1r h LYS 246 Ca 0.11 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.43 5r1r h LYS 246 Cb 0.16 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 5r1r h LYS 246 CO -0.21 0.29 -0.38 1.88 -1.08 0.00 0.00 179.45 179.95 5r1r h TYR 247 N 0.46 0.60 0.00 -1.35 0.05 -0.60 -2.91 116.97 113.22 5r1r h TYR 247 Ca 0.21 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 5r1r h TYR 247 Cb 0.13 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 5r1r h TYR 247 CO -0.11 0.82 -0.20 -0.39 -1.05 0.00 0.00 178.16 177.23 5r1r h VAL 248 N 0.43 0.44 0.00 -2.88 -1.51 -0.54 -1.57 116.25 110.61 5r1r h VAL 248 Ca 0.04 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 5r1r h VAL 248 Cb 0.86 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 5r1r h VAL 248 CO 0.07 0.20 0.00 0.77 -1.23 0.00 0.00 177.57 177.38 5r1r h SER 249 N 0.00 0.00 -0.33 4.19 4.64 -1.26 0.15 113.55 120.95 5r1r h SER 249 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5r1r h SER 249 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 5r1r h SER 249 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 5r1r n GLN 250 N -3.06 3.36 -1.02 4.77 6.02 -0.62 -4.98 117.38 121.85 5r1r n GLN 250 Ca -0.01 -2.91 -0.01 0.00 -0.01 0.00 0.00 57.00 54.07 5r1r n GLN 250 Cb 0.21 -1.93 -0.00 0.00 1.02 0.00 0.00 30.24 29.53 5r1r n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 5r1r n ARG 251 N -0.25 -0.43 -2.74 -1.09 1.74 0.54 -4.89 116.66 109.54 5r1r n ARG 251 Ca 0.23 0.17 -0.36 0.00 -0.77 0.00 0.00 57.85 57.12 5r1r n ARG 251 Cb 0.96 -3.55 -0.06 0.00 -1.02 0.00 0.00 32.46 28.79 5r1r n ARG 251 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5r1r s ALA 252 N -1.83 3.15 0.10 7.54 0.00 -1.05 -4.93 121.76 124.75 5r1r s ALA 252 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 5r1r s ALA 252 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 5r1r s ALA 252 CO 0.00 0.09 0.75 0.20 0.00 0.00 0.00 175.76 176.81 5r1r s GLY 253 N -1.73 2.84 -0.12 0.00 0.00 0.78 -4.55 107.32 104.55 5r1r s GLY 253 Ca 0.54 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.55 5r1r s GLY 253 CO 0.22 0.94 -0.07 -0.42 0.00 0.00 0.00 173.10 173.77 5r1r s ILE 254 N -0.65 3.64 -0.24 0.90 -1.09 -0.69 -1.46 121.20 121.60 5r1r s ILE 254 Ca 0.36 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 5r1r s ILE 254 Cb -0.22 -2.54 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 5r1r s ILE 254 CO 0.24 0.54 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.60 5r1r s GLY 255 N -0.07 1.61 -0.13 6.18 0.00 -0.71 -1.03 107.32 113.17 5r1r s GLY 255 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 5r1r s GLY 255 CO 0.03 0.48 -0.10 -0.42 0.00 0.00 0.00 173.10 173.09 5r1r s ILE 256 N 1.36 3.35 -0.39 0.90 1.01 0.13 -1.33 121.20 126.23 5r1r s ILE 256 Ca 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 5r1r s ILE 256 Cb -0.16 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.91 5r1r s ILE 256 CO -0.05 0.52 0.26 0.21 0.00 0.00 0.00 174.94 175.88 5r1r s ASN 257 N 0.27 5.96 -0.18 3.58 2.47 -0.38 -0.48 114.94 126.18 5r1r s ASN 257 Ca -0.07 -0.91 0.14 0.00 0.42 0.00 0.00 52.86 52.44 5r1r s ASN 257 Cb -0.15 -2.10 0.37 0.00 -1.45 0.00 0.00 41.25 37.92 5r1r s ASN 257 CO 0.05 -0.41 1.20 0.00 -3.72 0.00 0.00 177.10 174.22 5r1r n ALA 258 N 5.09 3.11 0.22 1.71 0.00 -1.00 -0.86 120.51 128.79 5r1r n ALA 258 Ca -0.11 -3.01 0.07 0.00 0.00 0.00 0.00 53.44 50.38 5r1r n ALA 258 Cb 0.47 -0.38 0.51 0.00 0.00 0.00 0.00 19.45 20.05 5r1r n ALA 258 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 5r1r h GLY 259 N 0.61 0.00 1.40 0.00 0.00 -1.80 -3.02 103.07 100.27 5r1r h GLY 259 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 5r1r h GLY 259 CO 0.02 0.00 -0.15 0.54 0.00 0.00 0.00 176.54 176.95 5r1r n ARG 260 N -3.94 0.24 -1.76 4.80 1.74 -1.26 -4.78 116.66 111.71 5r1r n ARG 260 Ca -0.02 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 5r1r n ARG 260 Cb 0.32 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 5r1r n ARG 260 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 5r1r s ILE 261 N -2.81 3.17 0.53 0.55 1.01 -1.14 -4.51 121.20 118.00 5r1r s ILE 261 Ca 0.19 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.82 5r1r s ILE 261 Cb 0.19 -3.13 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 5r1r s ILE 261 CO 0.55 -0.02 1.20 -2.11 0.00 0.00 0.00 174.94 174.56 5r1r n ARG 262 N 7.45 1.47 -1.33 2.79 1.85 -1.26 -4.80 116.66 122.82 5r1r n ARG 262 Ca 0.19 0.54 -0.31 0.00 -1.00 0.00 0.00 57.85 57.27 5r1r n ARG 262 Cb 0.42 -2.38 0.08 0.00 -1.05 0.00 0.00 32.46 29.53 5r1r n ARG 262 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 5r1r s ALA 263 N -1.33 2.34 0.20 2.89 0.00 -1.26 -4.21 121.76 120.39 5r1r s ALA 263 Ca 0.70 0.24 -0.32 0.00 0.00 0.00 0.00 51.96 52.59 5r1r s ALA 263 Cb -0.45 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 5r1r s ALA 263 CO 0.51 -1.66 1.74 -1.17 0.00 0.00 0.00 175.76 175.18 5r1r s LEU 264 N -5.83 4.37 0.00 0.00 2.96 -1.26 -2.29 118.68 116.64 5r1r s LEU 264 Ca 0.61 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 57.37 5r1r s LEU 264 Cb -0.17 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 5r1r s LEU 264 CO 0.55 -0.98 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 5r1r n GLY 265 N 4.02 1.78 3.60 7.98 0.00 -0.26 -4.92 105.19 117.39 5r1r n GLY 265 Ca 0.16 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 5r1r n GLY 265 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5r1r n SER 266 N 0.03 0.51 -4.78 1.61 7.64 -0.97 -4.91 113.62 112.76 5r1r n SER 266 Ca 0.00 0.75 -0.41 0.00 1.01 0.00 0.00 58.87 60.23 5r1r n SER 266 Cb 0.00 -1.38 -0.00 0.00 -1.01 0.00 0.00 64.21 61.82 5r1r n SER 266 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 5r1r s PRO 267 N -2.89 4.07 -0.04 1.43 0.04 -1.26 -3.89 135.00 132.46 5r1r s PRO 267 Ca 0.75 2.49 -0.31 0.00 0.04 0.00 0.00 61.00 63.98 5r1r s PRO 267 Cb -0.39 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 5r1r s PRO 267 CO 0.48 -0.54 2.01 1.51 0.04 0.00 0.00 177.00 180.51 5r1r n ILE 268 N 0.39 0.65 -2.40 0.56 3.06 -1.26 -4.80 119.36 115.56 5r1r n ILE 268 Ca 0.02 -0.19 -0.43 0.00 -2.50 0.00 0.00 62.75 59.64 5r1r n ILE 268 Cb 0.40 -2.27 0.00 0.00 0.54 0.00 0.00 39.64 38.31 5r1r n ILE 268 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 5r1r n ARG 269 N 7.62 3.13 -3.57 9.51 3.00 -1.04 -4.59 116.66 130.72 5r1r n ARG 269 Ca 0.23 -3.14 -0.25 0.00 -0.00 0.00 0.00 57.85 54.70 5r1r n ARG 269 Cb 0.39 -3.45 0.01 0.00 0.00 0.00 0.00 32.46 29.41 5r1r n ARG 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 5r1r n GLY 270 N 5.10 -0.90 0.00 5.14 0.00 -1.26 -3.14 105.19 110.14 5r1r n GLY 270 Ca 0.50 0.63 0.00 0.00 0.00 0.00 0.00 46.02 47.15 5r1r n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 271 N -1.24 3.08 3.61 -0.02 0.00 -1.26 -5.05 105.19 104.30 5r1r n GLY 271 Ca -0.25 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 5r1r n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5r1r s GLU 272 N 0.00 3.79 -1.11 1.61 2.02 -1.19 -4.97 118.70 118.86 5r1r s GLU 272 Ca 0.00 0.64 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 5r1r s GLU 272 Cb 0.00 -3.86 0.17 0.00 0.10 0.00 0.00 34.13 30.54 5r1r s GLU 272 CO 0.00 -1.21 1.30 0.00 0.02 0.00 0.00 175.26 175.37 5r1r s ALA 273 N 4.09 3.88 -0.70 5.21 0.00 -1.26 -2.51 121.76 130.47 5r1r s ALA 273 Ca 0.45 -3.23 0.15 0.00 0.00 0.00 0.00 51.96 49.33 5r1r s ALA 273 Cb -0.09 -4.04 0.72 0.00 0.00 0.00 0.00 23.12 19.71 5r1r s ALA 273 CO 0.26 -2.77 1.61 1.19 0.00 0.00 0.00 175.76 176.05 5r1r n PHE 274 N 5.61 1.68 -0.26 0.00 3.01 -1.26 -4.18 117.46 122.05 5r1r n PHE 274 Ca 0.31 -0.61 0.06 0.00 1.01 0.00 0.00 57.45 58.22 5r1r n PHE 274 Cb 0.44 -0.37 0.20 0.00 -0.01 0.00 0.00 39.48 39.75 5r1r n PHE 274 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 5r1r h HIS 275 N 3.73 0.48 0.00 1.38 3.86 -1.86 -1.31 115.15 121.43 5r1r h HIS 275 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 5r1r h HIS 275 Cb 1.64 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.02 5r1r h HIS 275 CO 0.88 0.02 0.00 0.25 0.86 0.00 0.00 177.93 179.94 5r1r n THR 276 N -5.04 0.89 -3.90 2.45 -2.24 -1.26 -1.11 114.28 104.08 5r1r n THR 276 Ca 0.15 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 5r1r n THR 276 Cb 0.45 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 5r1r n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5r1r n GLY 277 N 0.09 -1.99 0.20 3.38 0.00 -0.49 -4.63 105.19 101.75 5r1r n GLY 277 Ca 0.03 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 5r1r n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r h ILE 279 N 0.37 0.21 -0.99 0.00 1.08 -1.98 -1.07 117.51 115.14 5r1r h ILE 279 Ca 0.06 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.79 5r1r h ILE 279 Cb 0.73 0.21 -0.13 0.00 -3.07 0.00 0.00 36.82 34.55 5r1r h ILE 279 CO 0.05 0.00 0.56 -0.65 -0.69 0.00 0.00 178.15 177.42 5r1r h PRO 280 N -0.54 0.47 -0.05 2.37 0.11 -1.84 0.20 132.00 132.72 5r1r h PRO 280 Ca 0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 5r1r h PRO 280 Cb 0.62 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.63 5r1r h PRO 280 CO -0.29 0.31 -0.10 0.74 -0.21 0.00 0.00 178.00 178.44 5r1r h PHE 281 N 0.49 0.20 -0.52 0.65 0.04 -1.61 -2.57 116.94 113.62 5r1r h PHE 281 Ca 0.66 -0.07 0.10 0.00 2.80 0.00 0.00 57.97 61.46 5r1r h PHE 281 Cb 1.34 -0.04 -0.11 0.00 2.20 0.00 0.00 35.95 39.34 5r1r h PHE 281 CO -0.02 0.69 -0.25 1.88 -0.60 0.00 0.00 178.31 180.01 5r1r h TYR 282 N -0.35 -0.64 -0.85 -0.55 -1.99 0.40 0.70 116.97 113.70 5r1r h TYR 282 Ca 0.00 0.06 0.17 0.00 2.00 0.00 0.00 58.73 60.96 5r1r h TYR 282 Cb 0.68 0.36 -0.10 0.00 2.00 0.00 0.00 36.73 39.67 5r1r h TYR 282 CO 0.12 -0.33 0.41 0.87 -0.00 0.00 0.00 178.16 179.23 5r1r h LYS 283 N -0.12 0.53 -0.74 4.88 1.57 -0.75 0.12 116.57 122.06 5r1r h LYS 283 Ca 0.24 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 5r1r h LYS 283 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 5r1r h LYS 283 CO -0.60 0.35 0.23 1.25 -0.57 0.00 0.00 179.45 180.11 5r1r h HIS 284 N 0.54 1.20 -0.48 -1.35 2.76 0.66 -1.30 115.15 117.18 5r1r h HIS 284 Ca 0.48 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.45 5r1r h HIS 284 Cb 0.76 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 5r1r h HIS 284 CO -0.11 0.94 -0.04 0.74 -1.30 0.00 0.00 177.93 178.16 5r1r h PHE 285 N 1.10 0.96 -0.38 5.26 0.04 0.11 -1.55 116.94 122.49 5r1r h PHE 285 Ca 0.24 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.86 5r1r h PHE 285 Cb 0.31 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 5r1r h PHE 285 CO 0.03 0.92 0.18 0.37 -0.60 0.00 0.00 178.31 179.20 5r1r h GLN 286 N 0.72 0.35 -0.73 1.51 4.15 -0.58 0.82 115.11 121.36 5r1r h GLN 286 Ca 0.13 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 5r1r h GLN 286 Cb 0.56 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 5r1r h GLN 286 CO 0.03 0.23 0.32 1.79 -1.93 0.00 0.00 178.83 179.28 5r1r h THR 287 N 0.36 1.24 -0.19 2.39 1.35 -1.03 0.79 112.91 117.82 5r1r h THR 287 Ca 0.16 -0.70 0.01 0.00 -0.55 0.00 0.00 66.41 65.33 5r1r h THR 287 Cb 0.09 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 5r1r h THR 287 CO -0.13 0.29 0.11 0.00 -0.25 0.00 0.00 175.52 175.55 5r1r h ALA 288 N 1.32 0.24 -0.59 6.62 0.00 -0.41 0.68 119.26 127.11 5r1r h ALA 288 Ca 0.25 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.20 5r1r h ALA 288 Cb 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 288 CO -0.03 -0.30 0.34 0.28 0.00 0.00 0.00 179.25 179.54 5r1r h VAL 289 N 0.23 1.00 -0.22 0.00 2.07 0.16 -2.21 116.25 117.28 5r1r h VAL 289 Ca 0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.37 5r1r h VAL 289 Cb -0.01 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 5r1r h VAL 289 CO -0.03 0.12 0.00 0.29 0.02 0.00 0.00 177.57 177.96 5r1r n LYS 290 N -4.80 1.66 0.16 1.57 4.01 0.18 -4.49 118.16 116.45 5r1r n LYS 290 Ca 0.06 -1.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.01 5r1r n LYS 290 Cb 0.13 -1.30 0.72 0.00 -0.51 0.00 0.00 35.03 34.06 5r1r n LYS 290 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 5r1r h SER 291 N 1.81 0.00 -1.79 4.39 4.64 -0.20 -2.85 113.55 119.54 5r1r h SER 291 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 5r1r h SER 291 Cb 0.41 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.09 5r1r h SER 291 CO 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.46 5r1r s SER 293 N -3.25 -0.15 0.00 0.00 1.04 -1.08 -4.91 113.70 105.35 5r1r s SER 293 Ca 0.48 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.27 5r1r s SER 293 Cb 0.36 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.74 5r1r s SER 293 CO -0.19 -0.14 0.00 0.00 0.98 0.00 0.00 173.24 173.89 5r1r n GLN 294 N 4.00 0.00 -0.07 4.02 3.00 -1.22 -1.83 117.38 125.27 5r1r n GLN 294 Ca -0.24 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.68 5r1r n GLN 294 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.66 5r1r n GLN 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 5r1r n GLY 295 N 0.00 -0.66 0.00 1.08 0.00 -1.26 -4.94 105.19 99.41 5r1r n GLY 295 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 5r1r n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 296 N 2.18 -0.54 0.00 -0.02 0.00 -0.76 -4.98 105.19 101.07 5r1r n GLY 296 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 5r1r n GLY 296 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 5r1r n VAL 297 N 0.00 0.00 -2.84 1.61 0.24 -1.26 -4.93 118.33 111.15 5r1r n VAL 297 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 5r1r n VAL 297 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 5r1r n VAL 297 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 5r1r s ARG 298 N -1.00 3.17 0.00 7.34 3.52 -1.26 -4.87 118.95 125.84 5r1r s ARG 298 Ca 0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 5r1r s ARG 298 Cb 0.00 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 5r1r s ARG 298 CO 0.00 -1.75 0.00 0.41 -0.81 0.00 0.00 175.30 173.15 5r1r n GLY 299 N 5.28 2.29 1.17 8.12 0.00 -1.26 -3.45 105.19 117.34 5r1r n GLY 299 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.05 5r1r n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 300 N 1.25 -2.24 3.48 -0.02 0.00 -1.26 -4.80 105.19 101.59 5r1r n GLY 300 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 5r1r n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r s ALA 301 N 0.00 2.66 0.08 4.61 0.00 -1.26 -4.71 121.76 123.14 5r1r s ALA 301 Ca 0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 5r1r s ALA 301 Cb 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.39 5r1r s ALA 301 CO 0.00 0.58 0.35 0.00 0.00 0.00 0.00 175.76 176.69 5r1r s ALA 302 N -0.98 -0.78 -0.08 0.00 0.00 -1.26 -1.71 121.76 116.95 5r1r s ALA 302 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.08 5r1r s ALA 302 Cb -0.11 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.53 5r1r s ALA 302 CO 0.07 -0.52 -0.09 0.99 0.00 0.00 0.00 175.76 176.21 5r1r s THR 303 N -3.22 0.95 -0.16 0.00 2.01 -0.20 -1.34 115.64 113.69 5r1r s THR 303 Ca -0.00 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 5r1r s THR 303 Cb 0.01 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 5r1r s THR 303 CO -0.08 0.33 0.03 -0.22 -0.69 0.00 0.00 174.62 173.99 5r1r s LEU 304 N 1.14 3.65 -0.07 4.42 0.20 -0.22 0.21 118.68 128.00 5r1r s LEU 304 Ca -0.06 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.81 5r1r s LEU 304 Cb -0.14 -1.90 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 5r1r s LEU 304 CO -0.02 0.21 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.83 5r1r s PHE 305 N 0.13 2.94 0.00 5.38 0.40 0.37 0.64 117.98 127.85 5r1r s PHE 305 Ca 0.03 0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.21 5r1r s PHE 305 Cb -0.13 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.71 5r1r s PHE 305 CO 0.01 0.32 0.35 1.52 0.70 0.00 0.00 175.22 178.12 5r1r s TYR 306 N -0.76 -0.21 0.53 0.36 -0.85 -0.53 -2.37 117.35 113.52 5r1r s TYR 306 Ca 0.12 0.25 -0.22 0.00 -0.52 0.00 0.00 57.07 56.70 5r1r s TYR 306 Cb -0.11 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 5r1r s TYR 306 CO 0.01 -0.46 1.26 -1.25 -1.52 0.00 0.00 175.55 173.60 5r1r s PRO 307 N -1.75 3.32 0.36 -3.49 0.04 -1.26 -0.09 135.00 132.13 5r1r s PRO 307 Ca -0.10 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.01 5r1r s PRO 307 Cb -0.03 -2.25 0.69 0.00 0.04 0.00 0.00 34.50 32.95 5r1r s PRO 307 CO 0.02 -0.98 1.90 1.98 0.04 0.00 0.00 177.00 179.96 5r1r h MET 308 N 1.55 0.40 -0.06 4.56 4.05 -1.46 -2.41 114.93 121.57 5r1r h MET 308 Ca -0.50 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.83 5r1r h MET 308 Cb 1.28 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 5r1r h MET 308 CO 0.58 0.47 0.00 -2.67 0.23 0.00 0.00 176.91 175.52 5r1r n TRP 309 N -4.28 0.07 -1.62 1.39 4.27 -1.26 -4.75 117.44 111.25 5r1r n TRP 309 Ca 0.01 -0.03 -0.42 0.00 -3.89 0.00 0.00 57.50 53.16 5r1r n TRP 309 Cb 0.25 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 5r1r n TRP 309 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 5r1r n HIS 310 N -0.23 1.34 -0.29 -2.67 -0.00 -0.91 -1.54 115.22 110.93 5r1r n HIS 310 Ca 0.18 0.58 0.11 0.00 0.46 0.00 0.00 57.72 59.05 5r1r n HIS 310 Cb 0.23 -2.26 0.34 0.00 -0.12 0.00 0.00 29.99 28.19 5r1r n HIS 310 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 5r1r h LEU 311 N 1.75 0.72 -2.95 0.27 5.85 -1.57 -1.61 115.31 117.78 5r1r h LEU 311 Ca -0.44 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 5r1r h LEU 311 Cb 1.33 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 5r1r h LEU 311 CO 0.58 0.37 0.09 -0.62 -0.34 0.00 0.00 178.44 178.52 5r1r n GLU 312 N -4.58 3.43 -0.34 1.25 1.02 -1.26 -4.64 120.64 115.51 5r1r n GLU 312 Ca 0.18 -2.23 0.11 0.00 -0.02 0.00 0.00 57.16 55.19 5r1r n GLU 312 Cb 0.44 -2.01 0.29 0.00 -0.02 0.00 0.00 31.44 30.14 5r1r n GLU 312 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 5r1r h VAL 313 N 2.44 0.74 0.00 2.62 3.04 -1.58 0.16 116.25 123.68 5r1r h VAL 313 Ca 0.09 -0.27 -0.07 0.00 -1.01 0.00 0.00 66.70 65.44 5r1r h VAL 313 Cb 1.71 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 5r1r h VAL 313 CO 0.44 0.14 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.48 5r1r h GLU 314 N 0.78 0.00 0.12 4.17 5.08 -1.85 0.27 114.58 123.15 5r1r h GLU 314 Ca 0.55 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.63 5r1r h GLU 314 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 5r1r h GLU 314 CO -0.36 0.33 -1.26 0.77 -1.00 0.00 0.00 179.01 177.49 5r1r h SER 315 N 0.00 0.39 -0.00 1.42 0.02 -1.38 -3.34 113.55 110.66 5r1r h SER 315 Ca -0.00 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 5r1r h SER 315 Cb 0.65 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 5r1r h SER 315 CO 0.04 1.34 -0.00 -0.07 -1.14 0.00 0.00 176.83 177.01 5r1r h LEU 316 N 0.07 0.01 -1.92 5.07 3.38 -0.21 -3.22 115.31 118.48 5r1r h LEU 316 Ca -0.14 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.64 5r1r h LEU 316 Cb 1.97 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 5r1r h LEU 316 CO 0.19 0.33 0.50 -0.07 0.09 0.00 0.00 178.44 179.48 5r1r h LEU 317 N -0.31 0.00 -3.38 1.67 4.07 -0.60 -1.70 115.31 115.05 5r1r h LEU 317 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 5r1r h LEU 317 Cb 0.32 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 5r1r h LEU 317 CO 0.00 0.00 0.03 1.33 -1.08 0.00 0.00 178.44 178.72 5r1r n VAL 318 N -3.71 2.51 0.21 1.22 0.24 -1.22 -4.69 118.33 112.90 5r1r n VAL 318 Ca 0.09 -2.22 0.05 0.00 -2.04 0.00 0.00 64.34 60.22 5r1r n VAL 318 Cb 0.69 -0.30 0.47 0.00 -1.47 0.00 0.00 33.84 33.23 5r1r n VAL 318 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 5r1r h LEU 319 N 1.50 0.01 -0.91 1.34 3.38 -1.39 -2.16 115.31 117.07 5r1r h LEU 319 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 5r1r h LEU 319 Cb 1.70 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 5r1r h LEU 319 CO 0.39 0.22 -0.22 0.29 0.09 0.00 0.00 178.44 179.21 5r1r n LYS 320 N -4.28 1.31 -2.01 1.13 5.02 -1.26 -2.25 118.16 115.81 5r1r n LYS 320 Ca -0.02 -0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 54.93 5r1r n LYS 320 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 5r1r n LYS 320 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 5r1r s ASN 321 N -2.32 5.97 0.34 4.39 2.47 -0.82 -4.89 114.94 120.08 5r1r s ASN 321 Ca 0.26 1.37 0.05 0.00 0.42 0.00 0.00 52.86 54.97 5r1r s ASN 321 Cb 0.19 -2.53 0.70 0.00 -1.45 0.00 0.00 41.25 38.17 5r1r s ASN 321 CO 0.46 -1.64 1.90 -0.55 -3.72 0.00 0.00 177.10 173.56 5r1r h ASN 322 N 12.54 0.75 -1.52 -4.21 -1.07 -1.89 -3.37 115.58 116.81 5r1r h ASN 322 Ca -0.34 0.02 -0.53 0.00 0.07 0.00 0.00 56.30 55.52 5r1r h ASN 322 Cb 1.17 -0.13 -0.08 0.00 -2.07 0.00 0.00 38.32 37.20 5r1r h ASN 322 CO 1.02 0.44 1.24 -0.60 0.07 0.00 0.00 177.43 179.60 5r1r s ARG 323 N -5.76 3.22 0.00 4.14 3.52 -1.26 -4.89 118.95 117.93 5r1r s ARG 323 Ca -0.10 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 5r1r s ARG 323 Cb 0.21 -4.86 0.00 0.00 -1.56 0.00 0.00 34.95 28.73 5r1r s ARG 323 CO 0.79 -2.41 0.00 0.41 -0.81 0.00 0.00 175.30 173.28 5r1r n GLY 324 N 6.31 0.20 3.71 8.12 0.00 -1.26 -5.13 105.19 117.14 5r1r n GLY 324 Ca 0.24 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 5r1r n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r s VAL 325 N -2.00 3.22 0.33 1.61 0.11 -1.26 -4.91 120.40 117.50 5r1r s VAL 325 Ca 0.00 0.83 0.12 0.00 -2.93 0.00 0.00 61.98 60.00 5r1r s VAL 325 Cb 0.00 -3.53 0.32 0.00 -1.53 0.00 0.00 36.38 31.64 5r1r s VAL 325 CO 0.00 0.05 1.69 -0.33 -3.33 0.00 0.00 175.10 173.18 5r1r h GLU 326 N 7.10 0.40 -0.04 1.54 4.39 -1.95 0.22 114.58 126.25 5r1r h GLU 326 Ca -0.42 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 5r1r h GLU 326 Cb 1.20 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 5r1r h GLU 326 CO 0.88 0.27 -0.13 0.78 -1.16 0.00 0.00 179.01 179.65 5r1r h GLY 327 N 0.42 0.06 -3.93 -3.84 0.00 -2.05 -3.06 103.07 90.66 5r1r h GLY 327 Ca 0.70 -0.03 -0.64 0.00 0.00 0.00 0.00 47.33 47.35 5r1r h GLY 327 CO -0.56 0.03 0.40 0.70 0.00 0.00 0.00 176.54 177.11 5r1r n ASN 328 N -4.36 6.94 -3.74 0.19 5.03 0.06 -4.91 115.26 114.47 5r1r n ASN 328 Ca -0.02 -3.78 -0.12 0.00 0.87 0.00 0.00 54.58 51.53 5r1r n ASN 328 Cb 0.22 -0.80 -0.13 0.00 -1.02 0.00 0.00 39.78 38.05 5r1r n ASN 328 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 5r1r s ARG 329 N -3.77 0.21 -0.59 3.52 1.81 -1.16 -4.76 118.95 114.21 5r1r s ARG 329 Ca 0.61 0.50 0.04 0.00 -1.72 0.00 0.00 55.73 55.17 5r1r s ARG 329 Cb 0.48 -0.10 0.16 0.00 -0.45 0.00 0.00 34.95 35.05 5r1r s ARG 329 CO 0.00 -0.15 0.41 0.08 -0.68 0.00 0.00 175.30 174.96 5r1r s VAL 330 N 1.13 2.12 -0.70 3.52 1.01 -0.96 -4.98 120.40 121.55 5r1r s VAL 330 Ca -0.08 -3.62 0.25 0.00 0.00 0.00 0.00 61.98 58.53 5r1r s VAL 330 Cb -0.09 -2.42 0.19 0.00 0.00 0.00 0.00 36.38 34.06 5r1r s VAL 330 CO -0.08 -1.02 1.60 0.54 0.00 0.00 0.00 175.10 176.14 5r1r n ARG 331 N 2.47 0.27 -1.80 2.72 1.74 -1.22 -4.19 116.66 116.64 5r1r n ARG 331 Ca 0.19 0.16 -0.36 0.00 -0.77 0.00 0.00 57.85 57.07 5r1r n ARG 331 Cb 0.37 -1.76 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 5r1r n ARG 331 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 5r1r n HIS 332 N -2.20 3.09 -3.72 -1.55 8.25 -1.26 -4.80 115.22 113.02 5r1r n HIS 332 Ca 0.05 -2.62 -0.13 0.00 -0.26 0.00 0.00 57.72 54.76 5r1r n HIS 332 Cb 0.43 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.34 5r1r n HIS 332 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 5r1r s MET 333 N -3.92 0.53 0.38 -0.41 -1.94 -1.26 -4.78 119.30 107.89 5r1r s MET 333 Ca 0.56 0.61 -0.05 0.00 -1.71 0.00 0.00 55.69 55.10 5r1r s MET 333 Cb 0.46 0.26 -0.04 0.00 2.01 0.00 0.00 34.83 37.51 5r1r s MET 333 CO -0.24 -0.06 0.66 -0.51 -0.01 0.00 0.00 175.02 174.85 5r1r s ASP 334 N 0.22 6.37 0.16 3.03 1.01 -0.45 -4.90 116.67 122.10 5r1r s ASP 334 Ca -0.00 0.78 0.09 0.00 0.71 0.00 0.00 52.55 54.13 5r1r s ASP 334 Cb -0.03 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 5r1r s ASP 334 CO 0.01 -0.37 -0.13 -0.31 0.21 0.00 0.00 175.17 174.58 5r1r s TYR 335 N -2.38 2.59 -0.28 4.23 2.02 -1.18 -1.06 117.35 121.29 5r1r s TYR 335 Ca 0.45 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 5r1r s TYR 335 Cb -0.10 -1.30 0.08 0.00 -0.40 0.00 0.00 41.96 40.23 5r1r s TYR 335 CO 0.36 0.47 -0.01 0.20 -1.57 0.00 0.00 175.55 175.00 5r1r s GLY 336 N -2.58 1.49 -0.08 0.71 0.00 0.21 -0.75 107.32 106.32 5r1r s GLY 336 Ca 0.22 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 5r1r s GLY 336 CO 0.13 0.98 1.05 0.14 0.00 0.00 0.00 173.10 175.40 5r1r s VAL 337 N 1.25 4.66 -0.27 1.40 1.01 0.17 -1.45 120.40 127.17 5r1r s VAL 337 Ca 0.00 1.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.77 5r1r s VAL 337 Cb -0.19 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 5r1r s VAL 337 CO -0.09 0.02 0.37 -1.10 0.00 0.00 0.00 175.10 174.30 5r1r s GLN 338 N 1.94 3.99 0.16 2.72 -0.21 0.87 -1.23 119.66 127.90 5r1r s GLN 338 Ca 0.51 0.01 0.09 0.00 0.02 0.00 0.00 55.36 55.99 5r1r s GLN 338 Cb -0.20 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 5r1r s GLN 338 CO 0.20 -0.29 -0.19 0.42 -2.12 0.00 0.00 175.29 173.31 5r1r s ILE 339 N 2.07 1.86 0.37 1.08 1.01 -0.16 -1.08 121.20 126.36 5r1r s ILE 339 Ca 0.15 -1.86 0.07 0.00 0.00 0.00 0.00 60.65 59.01 5r1r s ILE 339 Cb -0.16 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 5r1r s ILE 339 CO 0.10 -0.24 0.24 0.54 0.00 0.00 0.00 174.94 175.58 5r1r s ASN 340 N -2.51 2.17 0.16 3.58 4.22 -1.26 -0.01 114.94 121.28 5r1r s ASN 340 Ca 0.14 -1.77 -0.25 0.00 -2.14 0.00 0.00 52.86 48.84 5r1r s ASN 340 Cb -0.07 0.59 0.02 0.00 1.28 0.00 0.00 41.25 43.07 5r1r s ASN 340 CO 0.06 -1.05 1.59 0.50 -2.04 0.00 0.00 177.10 176.16 5r1r h LYS 341 N 1.97 -0.30 -0.84 3.55 3.11 -2.00 -2.40 116.57 119.66 5r1r h LYS 341 Ca -0.27 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.69 5r1r h LYS 341 Cb 1.25 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 32.47 5r1r h LYS 341 CO 0.41 -0.20 0.48 1.25 -2.81 0.00 0.00 179.45 178.59 5r1r h LEU 342 N -0.31 0.69 0.20 5.20 5.85 -1.98 -0.47 115.31 124.49 5r1r h LEU 342 Ca 0.15 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.93 5r1r h LEU 342 Cb 0.56 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 5r1r h LEU 342 CO -0.52 0.39 -0.30 0.24 -0.34 0.00 0.00 178.44 177.91 5r1r h MET 343 N 0.80 -0.55 -0.43 1.25 2.86 -1.85 -1.28 114.93 115.73 5r1r h MET 343 Ca 0.41 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 58.16 5r1r h MET 343 Cb 0.39 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 5r1r h MET 343 CO -0.25 -0.36 0.02 1.88 1.06 0.00 0.00 176.91 179.26 5r1r h TYR 344 N -0.57 0.02 -0.51 -0.22 0.05 -1.26 -1.49 116.97 112.99 5r1r h TYR 344 Ca 0.01 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.89 5r1r h TYR 344 Cb 0.56 0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.29 5r1r h TYR 344 CO -0.23 -0.06 0.17 1.15 -1.05 0.00 0.00 178.16 178.14 5r1r h THR 345 N 0.14 0.80 -0.62 -2.88 2.02 -0.83 0.64 112.91 112.18 5r1r h THR 345 Ca 0.21 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.37 5r1r h THR 345 Cb 0.30 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 5r1r h THR 345 CO -0.33 0.06 0.23 0.03 0.37 0.00 0.00 175.52 175.88 5r1r h ARG 346 N 0.34 0.40 0.01 6.66 2.47 -0.22 0.23 114.38 124.27 5r1r h ARG 346 Ca 0.25 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.98 5r1r h ARG 346 Cb 0.29 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 5r1r h ARG 346 CO -0.27 0.26 -0.24 1.25 0.56 0.00 0.00 179.97 181.53 5r1r h LEU 347 N 0.41 -0.71 -0.73 3.04 5.85 -0.37 -1.60 115.31 121.19 5r1r h LEU 347 Ca 0.31 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.21 5r1r h LEU 347 Cb 0.39 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 5r1r h LEU 347 CO -0.31 -0.31 0.40 -0.07 -0.34 0.00 0.00 178.44 177.81 5r1r h LEU 348 N -0.38 0.58 -0.77 2.25 3.38 0.53 -2.23 115.31 118.67 5r1r h LEU 348 Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 5r1r h LEU 348 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 5r1r h LEU 348 CO -0.21 0.35 0.00 0.29 0.09 0.00 0.00 178.44 178.96 5r1r n LYS 349 N -4.78 1.49 -2.20 1.13 5.02 -0.08 -4.92 118.16 113.82 5r1r n LYS 349 Ca 0.10 -0.76 -0.18 0.00 -2.02 0.00 0.00 58.31 55.45 5r1r n LYS 349 Cb 0.22 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 5r1r n LYS 349 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5r1r n GLY 350 N 0.86 0.04 4.00 0.72 0.00 -0.84 -4.97 105.19 105.00 5r1r n GLY 350 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 5r1r n GLY 350 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5r1r s GLU 351 N -4.69 1.92 0.51 1.61 2.02 -0.65 -4.84 118.70 114.58 5r1r s GLU 351 Ca 0.00 -1.19 -0.06 0.00 0.02 0.00 0.00 54.97 53.74 5r1r s GLU 351 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 5r1r s GLU 351 CO 0.00 -1.22 0.83 -0.51 0.02 0.00 0.00 175.26 174.38 5r1r s ASP 352 N -4.68 6.15 -0.12 -0.19 1.01 -1.26 -1.92 116.67 115.66 5r1r s ASP 352 Ca 0.64 0.94 0.03 0.00 0.71 0.00 0.00 52.55 54.87 5r1r s ASP 352 Cb -0.06 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.69 5r1r s ASP 352 CO 0.42 -0.68 -0.22 -0.63 0.21 0.00 0.00 175.17 174.27 5r1r s ILE 353 N -2.82 2.20 -0.18 0.77 1.01 0.18 -4.69 121.20 117.66 5r1r s ILE 353 Ca 0.49 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 5r1r s ILE 353 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 5r1r s ILE 353 CO 0.46 0.55 0.40 -0.89 0.00 0.00 0.00 174.94 175.46 5r1r s THR 354 N 0.54 5.21 0.00 2.92 2.01 -1.26 -0.75 115.64 124.31 5r1r s THR 354 Ca -0.13 0.74 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 5r1r s THR 354 Cb -0.17 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 5r1r s THR 354 CO 0.04 0.28 0.34 -0.76 -0.69 0.00 0.00 174.62 173.83 5r1r s LEU 355 N 1.09 4.41 -0.02 4.42 1.43 0.14 -4.84 118.68 125.31 5r1r s LEU 355 Ca 0.20 0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 54.01 5r1r s LEU 355 Cb -0.15 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 5r1r s LEU 355 CO 0.08 0.28 0.13 -0.36 0.23 0.00 0.00 176.35 176.72 5r1r s PHE 356 N -1.20 -0.02 0.15 0.29 0.08 -0.59 -2.14 117.98 114.56 5r1r s PHE 356 Ca 0.26 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 57.03 5r1r s PHE 356 Cb -0.15 -0.02 -0.07 0.00 -0.57 0.00 0.00 43.02 42.21 5r1r s PHE 356 CO 0.14 -0.22 0.95 0.45 -0.10 0.00 0.00 175.22 176.44 5r1r s SER 357 N -0.92 7.54 0.35 1.36 0.15 -1.26 -1.51 113.70 119.41 5r1r s SER 357 Ca -0.10 1.84 0.09 0.00 0.70 0.00 0.00 55.95 58.48 5r1r s SER 357 Cb -0.06 -2.59 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 5r1r s SER 357 CO 0.01 0.01 1.85 -0.65 1.20 0.00 0.00 173.24 175.66 5r1r h PRO 358 N 5.09 0.67 -0.95 5.44 0.11 -1.88 -1.55 132.00 138.94 5r1r h PRO 358 Ca -0.44 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.81 5r1r h PRO 358 Cb 1.21 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 5r1r h PRO 358 CO 0.70 0.44 0.60 0.66 -0.21 0.00 0.00 178.00 180.20 5r1r h SER 359 N 0.69 0.63 0.55 -2.05 4.64 -1.91 -2.86 113.55 113.23 5r1r h SER 359 Ca 0.48 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 5r1r h SER 359 Cb 0.81 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 5r1r h SER 359 CO -0.24 0.26 -0.28 0.47 -0.87 0.00 0.00 176.83 176.18 5r1r n ASP 360 N -4.61 0.45 -3.83 4.97 8.00 -0.58 -4.69 116.55 116.25 5r1r n ASP 360 Ca 0.20 -0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.18 5r1r n ASP 360 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.56 5r1r n ASP 360 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 5r1r s VAL 361 N -2.83 2.24 -0.01 2.53 -7.23 -1.08 -4.95 120.40 109.08 5r1r s VAL 361 Ca 0.17 -3.44 -0.38 0.00 -1.81 0.00 0.00 61.98 56.52 5r1r s VAL 361 Cb 0.19 -2.52 -0.17 0.00 0.56 0.00 0.00 36.38 34.43 5r1r s VAL 361 CO 0.59 -0.93 1.37 -2.65 -0.31 0.00 0.00 175.10 173.18 5r1r n PRO 362 N 2.78 0.94 0.00 4.82 -0.02 -1.26 -1.82 135.00 140.44 5r1r n PRO 362 Ca 0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 5r1r n PRO 362 Cb 0.35 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 5r1r n PRO 362 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5r1r n GLY 363 N 2.69 2.98 0.13 -1.23 0.00 -1.26 -4.90 105.19 103.60 5r1r n GLY 363 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 5r1r n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5r1r h LEU 364 N 0.00 -0.22 -0.14 0.99 6.46 -1.73 -2.11 115.31 118.55 5r1r h LEU 364 Ca 0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 5r1r h LEU 364 Cb 0.00 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 5r1r h LEU 364 CO 0.00 -0.13 0.01 0.22 -0.62 0.00 0.00 178.44 177.92 5r1r h TYR 365 N -0.19 0.01 -0.13 1.25 5.03 -1.91 -0.80 116.97 120.24 5r1r h TYR 365 Ca 0.00 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.34 5r1r h TYR 365 Cb 0.18 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 5r1r h TYR 365 CO -0.11 -0.01 0.04 -0.44 -1.32 0.00 0.00 178.16 176.33 5r1r h ASP 366 N 0.06 0.04 -0.80 -2.11 3.32 -1.94 -2.29 116.42 112.71 5r1r h ASP 366 Ca 0.07 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.21 5r1r h ASP 366 Cb 0.07 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 5r1r h ASP 366 CO -0.10 0.05 0.46 0.00 -1.72 0.00 0.00 179.24 177.92 5r1r h ALA 367 N 1.08 1.12 -0.92 3.45 0.00 -1.16 -0.88 119.26 121.96 5r1r h ALA 367 Ca 0.06 0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.26 5r1r h ALA 367 Cb 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.54 5r1r h ALA 367 CO -0.06 0.11 0.30 0.35 0.00 0.00 0.00 179.25 179.94 5r1r h PHE 368 N 0.79 0.45 0.10 0.00 3.57 -0.54 0.40 116.94 121.71 5r1r h PHE 368 Ca 0.38 0.05 -0.35 0.00 3.53 0.00 0.00 57.97 61.58 5r1r h PHE 368 Cb 0.31 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 5r1r h PHE 368 CO -0.06 -0.24 -1.94 1.19 -2.23 0.00 0.00 178.31 175.03 5r1r n PHE 369 N -5.22 1.13 0.00 0.41 3.01 -0.92 -4.57 117.46 111.31 5r1r n PHE 369 Ca 0.24 0.27 -0.20 0.00 1.01 0.00 0.00 57.45 58.77 5r1r n PHE 369 Cb 0.78 -1.14 -0.14 0.00 -0.01 0.00 0.00 39.48 38.97 5r1r n PHE 369 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 5r1r n ALA 370 N -3.09 0.96 -3.68 4.37 0.00 -0.38 -4.68 120.51 114.01 5r1r n ALA 370 Ca -0.33 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.26 5r1r n ALA 370 Cb 0.99 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 19.57 5r1r n ALA 370 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 5r1r s ASP 371 N -6.93 1.98 0.16 0.00 -1.08 0.06 -4.81 116.67 106.06 5r1r s ASP 371 Ca -0.20 -0.37 -0.07 0.00 -0.52 0.00 0.00 52.55 51.39 5r1r s ASP 371 Cb 0.07 -0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.23 5r1r s ASP 371 CO 0.78 -0.29 1.44 1.56 0.52 0.00 0.00 175.17 179.18 5r1r h GLN 372 N 8.38 0.67 0.00 4.34 1.08 -1.90 -1.21 115.11 126.46 5r1r h GLN 372 Ca -0.15 -0.45 0.03 0.00 -1.45 0.00 0.00 58.65 56.63 5r1r h GLN 372 Cb 1.13 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 5r1r h GLN 372 CO 0.25 1.07 -0.38 0.93 -0.95 0.00 0.00 178.83 179.76 5r1r h GLU 373 N 0.50 -0.52 -0.31 1.46 4.39 -1.95 0.18 114.58 118.33 5r1r h GLU 373 Ca -0.00 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.76 5r1r h GLU 373 Cb 1.18 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 5r1r h GLU 373 CO 0.12 -0.34 0.14 1.49 -1.16 0.00 0.00 179.01 179.26 5r1r h GLU 374 N -0.54 0.30 -0.32 2.33 4.57 -1.90 0.12 114.58 119.14 5r1r h GLU 374 Ca 0.05 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 5r1r h GLU 374 Cb 0.62 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 5r1r h GLU 374 CO -0.30 0.20 -0.14 0.35 -1.18 0.00 0.00 179.01 177.94 5r1r h PHE 375 N 0.30 -0.32 -0.23 0.92 3.57 -0.60 0.29 116.94 120.87 5r1r h PHE 375 Ca 0.13 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.72 5r1r h PHE 375 Cb 0.06 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 5r1r h PHE 375 CO -0.10 -0.21 -0.12 1.49 -2.23 0.00 0.00 178.31 177.14 5r1r h GLU 376 N -0.08 -0.09 0.45 1.11 4.81 -0.06 0.73 114.58 121.46 5r1r h GLU 376 Ca 0.16 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 5r1r h GLU 376 Cb 0.33 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 5r1r h GLU 376 CO -0.38 -0.06 -0.43 -0.09 -0.73 0.00 0.00 179.01 177.33 5r1r h ARG 377 N -0.09 -0.84 -0.80 1.92 2.43 0.40 0.36 114.38 117.76 5r1r h ARG 377 Ca 0.12 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 5r1r h ARG 377 Cb 0.28 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 5r1r h ARG 377 CO -0.29 -0.56 0.48 -0.07 -1.51 0.00 0.00 179.97 178.02 5r1r h LEU 378 N -0.87 0.74 0.43 3.80 3.38 -0.31 -0.21 115.31 122.26 5r1r h LEU 378 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 5r1r h LEU 378 Cb 0.75 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 5r1r h LEU 378 CO -0.04 0.47 -0.46 0.22 0.09 0.00 0.00 178.44 178.72 5r1r h TYR 379 N 0.87 -1.27 -0.68 1.13 3.20 0.72 -0.42 116.97 120.52 5r1r h TYR 379 Ca 0.35 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.26 5r1r h TYR 379 Cb 0.19 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 5r1r h TYR 379 CO -0.05 -0.62 0.43 1.79 -1.64 0.00 0.00 178.16 178.07 5r1r h THR 380 N -0.91 1.11 0.03 1.81 1.35 -0.70 -1.31 112.91 114.29 5r1r h THR 380 Ca -0.04 -0.29 0.02 0.00 -0.55 0.00 0.00 66.41 65.55 5r1r h THR 380 Cb 0.81 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.36 5r1r h THR 380 CO -0.08 0.15 -0.50 0.50 -0.25 0.00 0.00 175.52 175.34 5r1r h LYS 381 N 0.85 -0.64 0.00 4.72 3.64 -0.82 -1.99 116.57 122.32 5r1r h LYS 381 Ca 0.27 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 5r1r h LYS 381 Cb -0.01 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 5r1r h LYS 381 CO -0.10 -0.43 -0.06 1.88 -2.27 0.00 0.00 179.45 178.47 5r1r h TYR 382 N -0.67 0.00 -0.47 1.91 0.05 -0.78 -1.87 116.97 115.13 5r1r h TYR 382 Ca 0.02 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 5r1r h TYR 382 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 5r1r h TYR 382 CO -0.48 0.06 -0.02 0.93 -1.05 0.00 0.00 178.16 177.61 5r1r h GLU 383 N 0.00 0.84 -0.06 4.88 5.08 -0.49 -3.22 114.58 121.61 5r1r h GLU 383 Ca -0.00 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 5r1r h GLU 383 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 5r1r h GLU 383 CO 0.01 0.90 -0.68 0.87 -1.00 0.00 0.00 179.01 179.10 5r1r h LYS 384 N 0.69 0.27 -6.00 2.33 6.56 -1.08 -3.43 116.57 115.91 5r1r h LYS 384 Ca 0.13 -0.21 -0.55 0.00 -1.06 0.00 0.00 60.65 58.96 5r1r h LYS 384 Cb 0.53 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 5r1r h LYS 384 CO 0.03 0.85 1.44 0.34 -2.06 0.00 0.00 179.45 180.05 5r1r s ASP 385 N -6.92 5.35 0.16 0.86 -1.08 -0.91 -4.87 116.67 109.25 5r1r s ASP 385 Ca -0.04 1.36 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 5r1r s ASP 385 Cb 0.11 -2.52 0.89 0.00 -1.46 0.00 0.00 42.92 39.95 5r1r s ASP 385 CO 0.81 -2.13 1.69 0.47 0.52 0.00 0.00 175.17 176.54 5r1r n ASP 386 N 12.27 0.46 -0.26 -0.34 9.92 -1.26 -2.85 116.55 134.49 5r1r n ASP 386 Ca 0.28 0.59 -0.07 0.00 -0.53 0.00 0.00 54.79 55.06 5r1r n ASP 386 Cb 0.48 -0.69 0.05 0.00 -0.64 0.00 0.00 41.12 40.32 5r1r n ASP 386 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 5r1r h SER 387 N 0.00 1.02 -2.68 -2.24 0.02 -1.95 -3.43 113.55 104.29 5r1r h SER 387 Ca 0.00 -0.19 -0.55 0.00 -0.84 0.00 0.00 61.79 60.21 5r1r h SER 387 Cb 0.43 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 5r1r h SER 387 CO 0.00 0.94 1.05 -0.63 -1.14 0.00 0.00 176.83 177.05 5r1r s ILE 388 N -5.49 3.73 0.15 3.27 1.01 -1.13 -4.97 121.20 117.77 5r1r s ILE 388 Ca -0.12 0.88 -0.34 0.00 0.00 0.00 0.00 60.65 61.07 5r1r s ILE 388 Cb 0.15 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 5r1r s ILE 388 CO 0.83 -0.10 1.53 -1.14 0.00 0.00 0.00 174.94 176.06 5r1r n ARG 389 N 7.07 1.96 -3.88 2.79 0.63 -1.26 -4.95 116.66 119.02 5r1r n ARG 389 Ca 0.17 0.71 -0.09 0.00 -0.92 0.00 0.00 57.85 57.72 5r1r n ARG 389 Cb 0.43 -2.45 -0.04 0.00 0.45 0.00 0.00 32.46 30.85 5r1r n ARG 389 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 5r1r s LYS 390 N 0.81 1.52 0.02 -0.14 -2.85 -1.26 -4.64 119.74 113.20 5r1r s LYS 390 Ca 0.80 -1.06 0.01 0.00 -1.00 0.00 0.00 55.97 54.72 5r1r s LYS 390 Cb -0.73 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 35.54 5r1r s LYS 390 CO 0.40 -0.65 -0.05 -1.14 0.10 0.00 0.00 175.35 174.01 5r1r s GLN 391 N -3.95 0.40 -0.08 1.78 0.74 -0.91 -4.97 119.66 112.67 5r1r s GLN 391 Ca 0.15 -0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 5r1r s GLN 391 Cb -0.02 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 5r1r s GLN 391 CO 0.04 0.05 0.06 1.03 -0.55 0.00 0.00 175.29 175.91 5r1r s ARG 392 N -0.94 3.13 0.00 1.67 1.81 -1.26 0.27 118.95 123.64 5r1r s ARG 392 Ca -0.06 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.62 5r1r s ARG 392 Cb -0.06 -2.92 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 5r1r s ARG 392 CO -0.00 0.72 -0.03 0.14 -0.68 0.00 0.00 175.30 175.45 5r1r s VAL 393 N -0.98 0.21 0.09 3.52 -7.23 0.07 -4.96 120.40 111.12 5r1r s VAL 393 Ca 0.15 -0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 5r1r s VAL 393 Cb -0.12 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.53 5r1r s VAL 393 CO 0.05 -0.03 1.72 -0.54 -0.31 0.00 0.00 175.10 175.99 5r1r s LYS 394 N -0.31 4.17 0.29 4.82 1.02 -1.26 0.47 119.74 128.95 5r1r s LYS 394 Ca -0.02 2.43 0.05 0.00 0.02 0.00 0.00 55.97 58.45 5r1r s LYS 394 Cb -0.02 -3.61 0.73 0.00 -0.52 0.00 0.00 37.83 34.41 5r1r s LYS 394 CO -0.00 -0.78 1.73 0.00 -0.92 0.00 0.00 175.35 175.38 5r1r h ALA 395 N 8.48 1.52 -0.83 5.17 0.00 -1.66 -0.75 119.26 131.19 5r1r h ALA 395 Ca -0.44 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.66 5r1r h ALA 395 Cb 1.21 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 5r1r h ALA 395 CO 0.94 -0.24 0.52 0.28 0.00 0.00 0.00 179.25 180.74 5r1r h VAL 396 N 0.53 1.05 0.08 0.00 2.07 -1.87 -0.02 116.25 118.09 5r1r h VAL 396 Ca 0.57 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 5r1r h VAL 396 Cb 1.01 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 5r1r h VAL 396 CO -0.46 0.17 -0.04 -0.33 0.02 0.00 0.00 177.57 176.93 5r1r h GLU 397 N 0.95 -0.10 -0.05 1.57 5.08 -1.52 -1.09 114.58 119.42 5r1r h GLU 397 Ca 0.36 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 5r1r h GLU 397 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 5r1r h GLU 397 CO -0.16 0.01 -0.05 1.25 -1.00 0.00 0.00 179.01 179.06 5r1r h LEU 398 N -0.18 -0.15 -0.02 1.33 5.85 -1.10 0.19 115.31 121.23 5r1r h LEU 398 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 5r1r h LEU 398 Cb 0.15 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 5r1r h LEU 398 CO 0.02 -0.07 0.01 -0.26 -0.34 0.00 0.00 178.44 177.80 5r1r h PHE 399 N -0.06 0.02 -0.41 1.25 0.04 -0.98 -1.02 116.94 115.79 5r1r h PHE 399 Ca 0.04 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.84 5r1r h PHE 399 Cb 0.11 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 5r1r h PHE 399 CO -0.14 0.01 0.20 0.77 -0.60 0.00 0.00 178.31 178.55 5r1r h SER 400 N 0.03 0.29 -0.52 2.17 0.02 -0.99 0.22 113.55 114.76 5r1r h SER 400 Ca 0.01 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 5r1r h SER 400 Cb 0.00 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 5r1r h SER 400 CO -0.01 0.21 0.15 0.25 -1.14 0.00 0.00 176.83 176.29 5r1r h LEU 401 N 0.41 0.09 -0.22 5.07 5.85 -0.33 0.62 115.31 126.80 5r1r h LEU 401 Ca 0.18 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 5r1r h LEU 401 Cb 0.09 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 5r1r h LEU 401 CO -0.13 0.07 0.11 -0.03 -0.34 0.00 0.00 178.44 178.12 5r1r h MET 402 N 0.30 0.31 -0.38 1.25 4.05 -0.29 -2.19 114.93 117.98 5r1r h MET 402 Ca 0.26 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.56 5r1r h MET 402 Cb 0.33 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 5r1r h MET 402 CO -0.31 0.32 -0.08 0.52 0.23 0.00 0.00 176.91 177.60 5r1r h MET 403 N 0.23 0.65 0.68 0.39 2.86 0.52 0.66 114.93 120.91 5r1r h MET 403 Ca 0.08 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 5r1r h MET 403 Cb 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 5r1r h MET 403 CO -0.01 0.72 -0.47 0.37 1.06 0.00 0.00 176.91 178.58 5r1r h GLN 404 N 0.60 -1.05 -0.98 1.72 4.15 0.31 0.61 115.11 120.47 5r1r h GLN 404 Ca 0.11 0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.71 5r1r h GLN 404 Cb 0.49 0.24 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 5r1r h GLN 404 CO 0.03 -0.70 0.63 0.93 -1.93 0.00 0.00 178.83 177.78 5r1r h GLU 405 N -1.09 0.99 -0.44 1.69 4.39 -1.25 0.68 114.58 119.55 5r1r h GLU 405 Ca -0.09 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 5r1r h GLU 405 Cb 0.89 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 5r1r h GLU 405 CO 0.06 0.66 0.26 -0.09 -1.16 0.00 0.00 179.01 178.73 5r1r h ARG 406 N 1.02 0.61 0.05 2.33 2.43 -0.40 -1.72 114.38 118.70 5r1r h ARG 406 Ca 0.47 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 5r1r h ARG 406 Cb 0.40 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 5r1r h ARG 406 CO -0.22 0.47 -0.02 0.00 -1.51 0.00 0.00 179.97 178.68 5r1r h ALA 407 N 1.11 -0.07 -0.24 2.80 0.00 0.24 0.48 119.26 123.58 5r1r h ALA 407 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 5r1r h ALA 407 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 407 CO -0.03 -0.53 -0.08 0.66 0.00 0.00 0.00 179.25 179.27 5r1r h SER 408 N -0.08 0.48 0.30 0.00 4.64 -1.01 -3.34 113.55 114.55 5r1r h SER 408 Ca -0.01 -0.39 -0.33 0.00 -0.47 0.00 0.00 61.79 60.60 5r1r h SER 408 Cb 0.06 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 5r1r h SER 408 CO 0.01 0.76 -1.90 0.35 -0.87 0.00 0.00 176.83 175.18 5r1r n THR 409 N -4.54 1.64 -0.13 2.95 -2.24 -0.65 -4.98 114.28 106.33 5r1r n THR 409 Ca -0.04 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 5r1r n THR 409 Cb 0.32 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 5r1r n THR 409 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5r1r n GLY 410 N 1.75 1.74 0.61 3.38 0.00 0.17 -4.88 105.19 107.95 5r1r n GLY 410 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 5r1r n GLY 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r n ARG 411 N -2.00 1.69 -3.57 1.61 5.12 -1.26 -2.64 116.66 115.61 5r1r n ARG 411 Ca 0.00 -3.05 -0.41 0.00 -1.93 0.00 0.00 57.85 52.47 5r1r n ARG 411 Cb 0.00 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 29.56 5r1r n ARG 411 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 5r1r s ILE 412 N -3.11 4.23 0.39 0.55 -1.09 -1.26 -3.12 121.20 117.79 5r1r s ILE 412 Ca 0.38 -1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.12 5r1r s ILE 412 Cb 0.35 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 5r1r s ILE 412 CO -0.01 -0.69 0.64 -0.31 -1.23 0.00 0.00 174.94 173.34 5r1r s TYR 413 N 1.38 3.52 0.05 3.97 2.02 0.07 -4.68 117.35 123.69 5r1r s TYR 413 Ca 0.05 0.56 0.05 0.00 -0.37 0.00 0.00 57.07 57.36 5r1r s TYR 413 Cb -0.25 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 5r1r s TYR 413 CO 0.00 -0.03 -0.08 0.42 -1.57 0.00 0.00 175.55 174.30 5r1r s ILE 414 N -2.46 3.54 -0.06 2.71 1.09 -0.82 0.46 121.20 125.66 5r1r s ILE 414 Ca 0.43 -1.00 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 5r1r s ILE 414 Cb -0.10 -2.60 0.03 0.00 -1.06 0.00 0.00 42.46 38.73 5r1r s ILE 414 CO 0.39 0.26 0.03 -1.58 -0.10 0.00 0.00 174.94 173.93 5r1r s GLN 415 N -1.81 0.30 -0.70 2.79 0.74 -0.36 -1.71 119.66 118.90 5r1r s GLN 415 Ca 0.20 0.21 -0.24 0.00 0.05 0.00 0.00 55.36 55.58 5r1r s GLN 415 Cb -0.11 -0.82 0.06 0.00 1.10 0.00 0.00 33.01 33.24 5r1r s GLN 415 CO 0.11 -0.33 1.09 -0.80 -0.55 0.00 0.00 175.29 174.80 5r1r s ASN 416 N 2.06 6.19 0.21 6.67 0.01 0.28 -0.98 114.94 129.38 5r1r s ASN 416 Ca 0.05 -0.86 0.08 0.00 -0.71 0.00 0.00 52.86 51.42 5r1r s ASN 416 Cb -0.12 -2.47 0.14 0.00 0.41 0.00 0.00 41.25 39.21 5r1r s ASN 416 CO -0.04 -1.56 1.48 -0.37 -1.51 0.00 0.00 177.10 175.10 5r1r h VAL 417 N 6.01 1.52 0.01 1.60 -1.51 -0.72 -1.64 116.25 121.52 5r1r h VAL 417 Ca -0.26 -2.53 -0.00 0.00 -1.23 0.00 0.00 66.70 62.68 5r1r h VAL 417 Cb 1.06 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 5r1r h VAL 417 CO 1.22 0.73 -0.00 -2.24 -1.23 0.00 0.00 177.57 176.04 5r1r h ASP 418 N 0.03 -0.01 -0.45 4.19 3.04 -1.81 -2.71 116.42 118.71 5r1r h ASP 418 Ca -0.01 -0.19 0.09 0.00 -3.24 0.00 0.00 57.03 53.67 5r1r h ASP 418 Cb 1.34 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.55 5r1r h ASP 418 CO 0.10 0.18 -0.02 0.45 -2.04 0.00 0.00 179.24 177.92 5r1r h HIS 419 N -0.20 -0.07 0.00 4.15 3.86 -1.87 0.40 115.15 121.43 5r1r h HIS 419 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 5r1r h HIS 419 Cb 0.20 0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 5r1r h HIS 419 CO -0.01 -0.11 0.19 0.00 0.86 0.00 0.00 177.93 178.85 5r1r n ASN 421 N -2.56 3.34 0.19 0.00 3.02 0.11 -4.45 115.26 114.90 5r1r n ASN 421 Ca -0.02 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.57 5r1r n ASN 421 Cb 0.23 0.28 0.28 0.00 -0.61 0.00 0.00 39.78 39.96 5r1r n ASN 421 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 5r1r h THR 422 N 0.00 0.73 -2.19 3.41 1.35 -0.33 -3.32 112.91 112.55 5r1r h THR 422 Ca -0.19 -1.57 -0.59 0.00 -0.55 0.00 0.00 66.41 63.51 5r1r h THR 422 Cb 1.36 2.02 -0.41 0.00 -1.73 0.00 0.00 68.15 69.39 5r1r h THR 422 CO -0.01 0.34 -0.70 1.57 -0.25 0.00 0.00 175.52 176.47 5r1r n HIS 423 N -3.37 2.76 -4.09 4.73 -0.00 -0.80 -4.87 115.22 109.59 5r1r n HIS 423 Ca 0.01 -4.03 -0.10 0.00 -0.00 0.00 0.00 57.72 53.59 5r1r n HIS 423 Cb 0.55 -0.51 -0.09 0.00 -0.00 0.00 0.00 29.99 29.94 5r1r n HIS 423 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 5r1r s SER 424 N -2.15 0.18 0.00 0.26 1.04 -1.25 -4.78 113.70 107.01 5r1r s SER 424 Ca 0.38 -1.12 0.24 0.00 0.48 0.00 0.00 55.95 55.94 5r1r s SER 424 Cb 0.14 0.37 1.11 0.00 0.10 0.00 0.00 66.02 67.74 5r1r s SER 424 CO -0.04 -0.82 1.79 -0.81 0.98 0.00 0.00 173.24 174.34 5r1r n PRO 425 N -0.17 0.14 -4.27 4.02 -0.04 -1.26 -4.67 135.00 128.75 5r1r n PRO 425 Ca -0.05 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 5r1r n PRO 425 Cb 0.64 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 5r1r n PRO 425 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 5r1r s PHE 426 N -2.82 2.65 -0.23 0.54 0.08 -1.26 0.40 117.98 117.34 5r1r s PHE 426 Ca 0.16 -0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 5r1r s PHE 426 Cb 0.16 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 5r1r s PHE 426 CO 0.41 0.46 1.14 0.34 -0.10 0.00 0.00 175.22 177.48 5r1r s ASP 427 N -2.52 6.99 0.51 1.36 -1.08 -0.58 -4.59 116.67 116.76 5r1r s ASP 427 Ca 0.23 1.42 0.24 0.00 -0.52 0.00 0.00 52.55 53.92 5r1r s ASP 427 Cb -0.10 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.17 5r1r s ASP 427 CO 0.14 -0.77 2.06 -0.65 0.52 0.00 0.00 175.17 176.47 5r1r h PRO 428 N 7.96 0.00 0.00 4.34 0.11 -1.86 0.39 132.00 142.94 5r1r h PRO 428 Ca -0.22 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 5r1r h PRO 428 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 5r1r h PRO 428 CO 0.99 0.13 -0.41 0.00 -0.21 0.00 0.00 178.00 178.50 5r1r h ALA 429 N 1.87 0.98 0.00 -0.75 0.00 -1.91 -3.27 119.26 116.18 5r1r h ALA 429 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 5r1r h ALA 429 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 5r1r h ALA 429 CO 0.02 0.51 -1.58 -0.89 0.00 0.00 0.00 179.25 177.31 5r1r n ILE 430 N -3.55 0.58 -2.90 0.00 5.41 0.15 -4.90 119.36 114.15 5r1r n ILE 430 Ca -0.00 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.31 5r1r n ILE 430 Cb 0.53 -0.81 0.01 0.00 -0.71 0.00 0.00 39.64 38.66 5r1r n ILE 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 5r1r n ALA 431 N -2.46 -0.32 -1.31 -1.39 0.00 0.11 -5.05 120.51 110.10 5r1r n ALA 431 Ca -0.15 -1.91 -0.30 0.00 0.00 0.00 0.00 53.44 51.08 5r1r n ALA 431 Cb 0.75 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 19.11 5r1r n ALA 431 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 5r1r s PRO 432 N 0.25 1.71 -0.33 0.00 0.04 -1.23 -4.35 135.00 131.08 5r1r s PRO 432 Ca 0.32 0.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 5r1r s PRO 432 Cb 0.16 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.86 5r1r s PRO 432 CO -0.18 -1.94 0.15 0.08 0.04 0.00 0.00 177.00 175.15 5r1r s VAL 433 N -2.98 4.31 -0.23 -0.36 1.01 -1.26 -4.15 120.40 116.74 5r1r s VAL 433 Ca 0.62 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 61.97 5r1r s VAL 433 Cb -0.17 -3.31 0.45 0.00 0.00 0.00 0.00 36.38 33.35 5r1r s VAL 433 CO 0.56 -0.07 1.19 0.54 0.00 0.00 0.00 175.10 177.32 5r1r n ARG 434 N 4.93 2.31 0.00 2.72 1.74 -1.26 -4.78 116.66 122.32 5r1r n ARG 434 Ca -0.13 -3.57 0.00 0.00 -0.77 0.00 0.00 57.85 53.38 5r1r n ARG 434 Cb 0.47 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 5r1r n ARG 434 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5r1r n GLN 435 N -0.75 -0.55 -0.75 5.56 10.64 -1.26 -4.94 117.38 125.34 5r1r n GLN 435 Ca 0.27 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 5r1r n GLN 435 Cb 0.86 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.24 5r1r n GLN 435 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 5r1r n SER 436 N 0.00 1.35 -4.05 2.61 2.88 -1.26 -4.47 113.62 110.67 5r1r n SER 436 Ca 0.00 -0.37 -0.19 0.00 -1.33 0.00 0.00 58.87 56.98 5r1r n SER 436 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 5r1r n SER 436 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 5r1r n ASN 437 N -0.61 2.30 -0.29 -3.46 6.94 -1.22 -4.68 115.26 114.23 5r1r n ASN 437 Ca 0.00 -2.38 -0.12 0.00 -0.02 0.00 0.00 54.58 52.06 5r1r n ASN 437 Cb 0.00 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.30 5r1r n ASN 437 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 5r1r h LEU 438 N 0.00 -2.01 -3.13 -4.53 5.85 -1.87 -1.40 115.31 108.22 5r1r h LEU 438 Ca -0.25 0.29 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 5r1r h LEU 438 Cb 0.92 0.86 -0.14 0.00 0.37 0.00 0.00 40.66 42.67 5r1r h LEU 438 CO 0.40 -0.31 0.31 0.00 -0.34 0.00 0.00 178.44 178.50 5r1r n LEU 440 N -0.29 -2.24 0.00 0.00 7.99 -0.53 -4.41 117.00 117.51 5r1r n LEU 440 Ca 0.33 -0.98 0.00 0.00 -0.01 0.00 0.00 56.01 55.35 5r1r n LEU 440 Cb 1.16 -2.26 0.00 0.00 -0.11 0.00 0.00 43.42 42.21 5r1r n LEU 440 CO 0.35 0.41 -0.44 0.00 -1.51 0.00 0.00 177.39 176.20 5r1r n ALA 441 N -4.41 1.88 -2.24 -1.18 0.00 -1.26 -3.79 120.51 109.52 5r1r n ALA 441 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 5r1r n ALA 441 Cb 0.65 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 5r1r n ALA 441 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 5r1r s ILE 442 N -1.88 4.69 -0.30 0.00 -1.09 -1.26 -1.27 121.20 120.09 5r1r s ILE 442 Ca 0.00 1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 59.66 5r1r s ILE 442 Cb 0.00 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 5r1r s ILE 442 CO 0.00 0.54 0.15 0.00 -1.23 0.00 0.00 174.94 174.41 5r1r s ALA 443 N -1.13 0.54 0.06 9.38 0.00 -1.26 -3.40 121.76 125.95 5r1r s ALA 443 Ca 0.30 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 5r1r s ALA 443 Cb -0.20 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 5r1r s ALA 443 CO 0.20 -1.70 0.07 -0.51 0.00 0.00 0.00 175.76 173.82 5r1r s LEU 444 N 2.02 1.96 0.39 0.00 1.43 -1.26 -4.81 118.68 118.41 5r1r s LEU 444 Ca 0.10 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 5r1r s LEU 444 Cb -0.16 0.56 -0.09 0.00 0.03 0.00 0.00 46.19 46.53 5r1r s LEU 444 CO -0.33 -0.60 1.33 -2.84 0.23 0.00 0.00 176.35 174.15 5r1r s PRO 445 N -3.42 4.02 -0.03 1.29 0.02 -1.26 -4.50 135.00 131.11 5r1r s PRO 445 Ca 0.02 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.20 5r1r s PRO 445 Cb 0.04 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.75 5r1r s PRO 445 CO -0.08 -0.48 0.17 0.95 -0.33 0.00 0.00 177.00 177.22 5r1r s THR 446 N -1.22 0.04 -0.03 0.99 -4.23 -1.26 -4.30 115.64 105.63 5r1r s THR 446 Ca 0.56 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 5r1r s THR 446 Cb -0.40 -0.36 -0.00 0.00 1.34 0.00 0.00 72.50 73.08 5r1r s THR 446 CO 0.52 -0.19 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.74 5r1r s LYS 447 N -0.68 1.26 0.62 3.99 1.02 -0.50 -4.89 119.74 120.56 5r1r s LYS 447 Ca -0.08 -0.43 -0.19 0.00 0.02 0.00 0.00 55.97 55.29 5r1r s LYS 447 Cb -0.04 -1.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 5r1r s LYS 447 CO 0.01 0.18 1.25 -2.30 -0.92 0.00 0.00 175.35 173.57 5r1r n PRO 448 N 3.16 1.19 -3.93 -1.68 -0.02 -1.25 -0.55 135.00 131.92 5r1r n PRO 448 Ca -0.18 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 5r1r n PRO 448 Cb 0.54 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 5r1r n PRO 448 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 5r1r s LEU 449 N -3.73 4.35 0.00 2.45 1.02 -1.26 -4.42 118.68 117.09 5r1r s LEU 449 Ca 0.79 0.23 0.14 0.00 0.02 0.00 0.00 54.13 55.31 5r1r s LEU 449 Cb -0.40 -2.94 -0.01 0.00 0.02 0.00 0.00 46.19 42.86 5r1r s LEU 449 CO 0.43 0.12 0.75 0.59 0.02 0.00 0.00 176.35 178.27 5r1r n ASN 450 N -0.05 1.41 -3.50 2.29 3.02 -1.26 -4.05 115.26 113.12 5r1r n ASN 450 Ca -0.06 -1.20 -0.10 0.00 -0.03 0.00 0.00 54.58 53.19 5r1r n ASN 450 Cb 0.52 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 5r1r n ASN 450 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 5r1r s ASP 451 N -1.71 -0.41 0.35 6.41 -1.08 -1.26 -4.55 116.67 114.42 5r1r s ASP 451 Ca 0.11 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.26 5r1r s ASP 451 Cb 0.11 0.41 0.64 0.00 -1.46 0.00 0.00 42.92 42.62 5r1r s ASP 451 CO 0.35 -0.62 2.01 1.62 0.52 0.00 0.00 175.17 179.05 5r1r h VAL 452 N 2.14 1.15 -0.45 1.11 3.04 -1.91 -2.02 116.25 119.32 5r1r h VAL 452 Ca -0.23 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 5r1r h VAL 452 Cb 1.23 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 5r1r h VAL 452 CO 0.32 0.16 0.00 0.59 -1.01 0.00 0.00 177.57 177.63 5r1r n ASN 453 N -4.44 4.48 -4.68 3.17 3.02 -1.26 -4.60 115.26 110.95 5r1r n ASN 453 Ca 0.07 -2.65 -0.45 0.00 -0.03 0.00 0.00 54.58 51.52 5r1r n ASN 453 Cb 0.05 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.57 5r1r n ASN 453 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 5r1r n ASP 454 N 0.53 3.75 0.04 6.41 -0.08 -0.76 -4.84 116.55 121.61 5r1r n ASP 454 Ca 0.21 0.97 0.13 0.00 -1.51 0.00 0.00 54.79 54.59 5r1r n ASP 454 Cb 0.93 -1.47 0.44 0.00 2.34 0.00 0.00 41.12 43.37 5r1r n ASP 454 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 5r1r n GLU 455 N 6.15 0.13 -0.39 -0.67 -0.58 -1.26 -3.28 120.64 120.74 5r1r n GLU 455 Ca 0.20 0.09 0.11 0.00 -0.42 0.00 0.00 57.16 57.14 5r1r n GLU 455 Cb 0.34 -1.63 0.32 0.00 -0.57 0.00 0.00 31.44 29.90 5r1r n GLU 455 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 5r1r n ASN 456 N -1.85 4.00 -4.95 1.62 4.13 -1.26 -4.85 115.26 112.10 5r1r n ASN 456 Ca 0.06 -2.07 -0.23 0.00 1.68 0.00 0.00 54.58 54.03 5r1r n ASN 456 Cb 0.38 -0.48 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 5r1r n ASN 456 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 5r1r s GLY 457 N -0.99 1.52 -0.04 7.41 0.00 -1.20 -4.88 107.32 109.13 5r1r s GLY 457 Ca 0.47 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 5r1r s GLY 457 CO 0.31 -0.92 0.00 1.85 0.00 0.00 0.00 173.10 174.34 5r1r s GLU 458 N -4.48 0.39 -0.12 2.90 2.12 0.28 -4.38 118.70 115.41 5r1r s GLU 458 Ca 0.46 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.90 5r1r s GLU 458 Cb -0.10 -0.65 -0.02 0.00 0.26 0.00 0.00 34.13 33.63 5r1r s GLU 458 CO 0.37 -0.19 -0.13 0.42 -0.54 0.00 0.00 175.26 175.18 5r1r s ILE 459 N 1.38 3.03 0.24 -3.70 1.01 0.45 -1.41 121.20 122.21 5r1r s ILE 459 Ca -0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 5r1r s ILE 459 Cb -0.13 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 5r1r s ILE 459 CO -0.02 0.53 0.68 0.00 0.00 0.00 0.00 174.94 176.12 5r1r s ALA 460 N 0.28 3.43 0.43 9.38 0.00 -1.01 -4.30 121.76 129.97 5r1r s ALA 460 Ca -0.10 0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.93 5r1r s ALA 460 Cb -0.16 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 5r1r s ALA 460 CO 0.05 0.37 0.02 -0.51 0.00 0.00 0.00 175.76 175.70 5r1r s LEU 461 N -2.42 2.60 -0.53 0.00 1.43 -1.26 -0.06 118.68 118.43 5r1r s LEU 461 Ca 0.46 -1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 5r1r s LEU 461 Cb -0.13 -0.76 0.13 0.00 0.03 0.00 0.00 46.19 45.46 5r1r s LEU 461 CO 0.19 -0.60 0.41 0.00 0.23 0.00 0.00 176.35 176.58 5r1r s THR 463 N 1.09 4.60 0.32 0.00 2.01 -1.26 -4.32 115.64 118.08 5r1r s THR 463 Ca 0.08 -1.55 0.09 0.00 0.31 0.00 0.00 61.69 60.62 5r1r s THR 463 Cb -0.24 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 5r1r s THR 463 CO -0.02 -0.72 0.08 -0.76 -0.69 0.00 0.00 174.62 172.51 5r1r s LEU 464 N 1.47 3.21 -0.09 4.42 1.43 -1.26 0.19 118.68 128.05 5r1r s LEU 464 Ca 0.04 -0.76 -0.33 0.00 -1.03 0.00 0.00 54.13 52.05 5r1r s LEU 464 Cb -0.26 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.41 5r1r s LEU 464 CO 0.02 -0.20 1.29 -0.55 0.23 0.00 0.00 176.35 177.13 5r1r s SER 465 N -3.78 -0.07 -0.01 2.29 0.15 -1.10 -4.49 113.70 106.68 5r1r s SER 465 Ca 0.35 -0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.76 5r1r s SER 465 Cb -0.03 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 5r1r s SER 465 CO 0.21 -0.24 0.36 0.00 1.20 0.00 0.00 173.24 174.77 5r1r s ALA 466 N -2.36 -0.91 0.01 5.45 0.00 -0.83 -0.04 121.76 123.08 5r1r s ALA 466 Ca 0.13 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 5r1r s ALA 466 Cb 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 5r1r s ALA 466 CO -0.04 -0.28 0.61 -0.06 0.00 0.00 0.00 175.76 175.98 5r1r s PHE 467 N -1.39 3.70 -0.70 0.00 0.08 0.12 0.68 117.98 120.47 5r1r s PHE 467 Ca -0.13 1.23 -0.24 0.00 0.12 0.00 0.00 56.93 57.92 5r1r s PHE 467 Cb -0.04 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.85 5r1r s PHE 467 CO 0.05 0.37 1.08 1.21 -0.10 0.00 0.00 175.22 177.82 5r1r s ASN 468 N -0.28 6.19 0.63 1.36 3.84 0.28 -1.49 114.94 125.47 5r1r s ASN 468 Ca 0.31 -0.88 0.41 0.00 0.21 0.00 0.00 52.86 52.91 5r1r s ASN 468 Cb -0.19 -2.46 2.22 0.00 -0.55 0.00 0.00 41.25 40.27 5r1r s ASN 468 CO 0.18 -1.55 2.25 -0.07 -2.79 0.00 0.00 177.10 175.11 5r1r h LEU 469 N 11.86 0.00 -0.53 3.21 3.38 -1.67 -0.56 115.31 131.00 5r1r h LEU 469 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 5r1r h LEU 469 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 5r1r h LEU 469 CO 1.22 0.00 -0.29 1.23 0.09 0.00 0.00 178.44 180.69 5r1r h GLY 470 N 0.00 0.00 -1.78 0.83 0.00 -1.77 -3.31 103.07 97.03 5r1r h GLY 470 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 5r1r h GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 5r1r n ALA 471 N -2.20 2.46 -2.74 3.60 0.00 -0.22 -4.93 120.51 116.48 5r1r n ALA 471 Ca 0.01 -0.70 -0.28 0.00 0.00 0.00 0.00 53.44 52.47 5r1r n ALA 471 Cb 0.56 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 5r1r n ALA 471 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 5r1r s ILE 472 N -1.78 5.19 -0.23 0.00 -4.36 -1.21 -4.90 121.20 113.90 5r1r s ILE 472 Ca 0.26 -0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 60.21 5r1r s ILE 472 Cb 0.18 -3.72 -0.17 0.00 1.25 0.00 0.00 42.46 40.01 5r1r s ILE 472 CO 0.27 -0.15 -0.03 0.59 0.24 0.00 0.00 174.94 175.86 5r1r n ASN 473 N -0.58 1.93 -4.27 4.36 3.02 -1.26 -5.00 115.26 113.46 5r1r n ASN 473 Ca -0.04 0.34 -0.15 0.00 -0.03 0.00 0.00 54.58 54.70 5r1r n ASN 473 Cb 0.53 -0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 5r1r n ASN 473 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 5r1r s ASN 474 N -7.11 1.76 0.38 6.41 6.03 -1.26 -5.03 114.94 116.11 5r1r s ASN 474 Ca -0.33 -1.09 0.27 0.00 -1.03 0.00 0.00 52.86 50.69 5r1r s ASN 474 Cb 0.10 0.01 1.27 0.00 -3.03 0.00 0.00 41.25 39.59 5r1r s ASN 474 CO 0.56 -0.41 1.83 -0.07 -2.03 0.00 0.00 177.10 176.98 5r1r h LEU 475 N 2.68 0.00 0.00 3.54 3.38 -2.00 -1.88 115.31 121.02 5r1r h LEU 475 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 5r1r h LEU 475 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 5r1r h LEU 475 CO 0.64 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.64 5r1r n ASP 476 N -2.50 0.00 0.00 -0.43 8.00 -1.26 -1.13 116.55 119.23 5r1r n ASP 476 Ca 0.00 0.21 0.14 0.00 0.71 0.00 0.00 54.79 55.86 5r1r n ASP 476 Cb 0.18 -0.39 0.71 0.00 -0.02 0.00 0.00 41.12 41.59 5r1r n ASP 476 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5r1r n GLU 477 N -1.39 0.34 0.17 -1.24 1.02 -0.71 -3.29 120.64 115.55 5r1r n GLU 477 Ca 0.09 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 5r1r n GLU 477 Cb 0.23 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.38 5r1r n GLU 477 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 5r1r h LEU 478 N 0.00 0.00 -0.46 -4.62 3.38 -1.32 -3.01 115.31 109.27 5r1r h LEU 478 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 5r1r h LEU 478 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 5r1r h LEU 478 CO 0.00 0.40 0.30 -0.08 0.09 0.00 0.00 178.44 179.16 5r1r h GLU 479 N 0.00 0.60 -0.30 1.13 4.81 -1.74 0.73 114.58 119.82 5r1r h GLU 479 Ca -0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 5r1r h GLU 479 Cb 1.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 5r1r h GLU 479 CO 0.05 0.40 -0.24 1.49 -0.73 0.00 0.00 179.01 179.98 5r1r h GLU 480 N 0.62 0.68 -0.43 1.92 4.57 -1.78 -2.77 114.58 117.38 5r1r h GLU 480 Ca 0.17 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 5r1r h GLU 480 Cb -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 5r1r h GLU 480 CO -0.04 0.94 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.49 5r1r h LEU 481 N 0.43 0.83 -0.20 1.64 3.38 -1.25 -2.30 115.31 117.83 5r1r h LEU 481 Ca 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.75 5r1r h LEU 481 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 5r1r h LEU 481 CO 0.06 0.99 0.12 0.00 0.09 0.00 0.00 178.44 179.71 5r1r h ALA 482 N 1.07 0.25 -0.27 1.53 0.00 0.47 0.23 119.26 122.54 5r1r h ALA 482 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 5r1r h ALA 482 Cb 0.68 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 5r1r h ALA 482 CO 0.05 -0.28 -0.54 0.82 0.00 0.00 0.00 179.25 179.30 5r1r h ILE 483 N 0.25 0.01 -0.40 0.00 2.04 -1.24 0.13 117.51 118.30 5r1r h ILE 483 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 5r1r h ILE 483 Cb -0.02 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 5r1r h ILE 483 CO -0.03 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.30 5r1r h LEU 484 N -0.49 0.39 0.20 1.44 4.07 -0.95 0.20 115.31 120.17 5r1r h LEU 484 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 5r1r h LEU 484 Cb 0.64 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.30 5r1r h LEU 484 CO -0.51 0.28 -0.10 0.00 -1.08 0.00 0.00 178.44 177.03 5r1r h ALA 485 N 1.17 -0.27 -0.11 1.53 0.00 -0.31 -1.48 119.26 119.79 5r1r h ALA 485 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 485 Cb -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 5r1r h ALA 485 CO -0.07 -0.64 0.07 0.28 0.00 0.00 0.00 179.25 178.89 5r1r h VAL 486 N -0.30 1.05 -0.15 0.00 2.07 -0.64 -2.38 116.25 115.89 5r1r h VAL 486 Ca -0.03 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.39 5r1r h VAL 486 Cb 0.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 5r1r h VAL 486 CO 0.05 0.05 0.06 0.03 0.02 0.00 0.00 177.57 177.77 5r1r h ARG 487 N 0.13 0.13 -0.85 1.57 3.08 -0.57 -1.04 114.38 116.83 5r1r h ARG 487 Ca 0.04 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.11 5r1r h ARG 487 Cb 0.01 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 5r1r h ARG 487 CO -0.01 0.09 0.55 0.00 -1.07 0.00 0.00 179.97 179.53 5r1r h ALA 488 N 1.09 1.11 -0.10 0.04 0.00 -1.19 -1.69 119.26 118.52 5r1r h ALA 488 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 5r1r h ALA 488 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 5r1r h ALA 488 CO -0.06 0.39 -0.07 -0.07 0.00 0.00 0.00 179.25 179.44 5r1r h LEU 489 N 1.07 0.24 -0.91 0.00 3.38 -1.23 -1.09 115.31 116.76 5r1r h LEU 489 Ca 0.34 -0.45 0.13 0.00 0.09 0.00 0.00 57.88 57.99 5r1r h LEU 489 Cb -0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 5r1r h LEU 489 CO -0.11 0.64 0.53 -0.78 0.09 0.00 0.00 178.44 178.81 5r1r h ASP 490 N -0.16 0.72 -0.41 -0.43 3.58 -1.02 0.46 116.42 119.16 5r1r h ASP 490 Ca 0.02 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 5r1r h ASP 490 Cb 0.56 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 5r1r h ASP 490 CO 0.02 0.35 0.19 0.00 -2.88 0.00 0.00 179.24 176.91 5r1r h ALA 491 N 1.54 0.53 -0.54 -0.78 0.00 -1.22 -2.92 119.26 115.87 5r1r h ALA 491 Ca 0.47 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.35 5r1r h ALA 491 Cb 0.57 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 5r1r h ALA 491 CO -0.31 0.11 0.14 1.25 0.00 0.00 0.00 179.25 180.43 5r1r h LEU 492 N 0.52 0.06 -0.91 0.00 5.85 0.12 0.29 115.31 121.24 5r1r h LEU 492 Ca 0.14 0.09 0.25 0.00 0.84 0.00 0.00 57.88 59.19 5r1r h LEU 492 Cb 0.14 0.11 -0.16 0.00 0.37 0.00 0.00 40.66 41.12 5r1r h LEU 492 CO -0.02 0.05 0.10 -0.07 -0.34 0.00 0.00 178.44 178.17 5r1r h LEU 493 N 0.28 -0.29 0.00 2.25 3.38 -0.91 0.33 115.31 120.34 5r1r h LEU 493 Ca 0.27 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.48 5r1r h LEU 493 Cb 0.36 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.50 5r1r h LEU 493 CO -0.33 -0.27 -0.51 0.44 0.09 0.00 0.00 178.44 177.86 5r1r h ASP 494 N 0.08 0.00 0.01 -0.43 3.32 -1.03 -3.36 116.42 115.01 5r1r h ASP 494 Ca 0.56 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.39 5r1r h ASP 494 Cb 1.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.69 5r1r h ASP 494 CO -0.79 0.02 -0.69 0.22 -1.72 0.00 0.00 179.24 176.28 5r1r h TYR 495 N 0.00 0.68 -4.46 4.55 3.20 0.11 -3.47 116.97 117.58 5r1r h TYR 495 Ca 0.00 -0.38 -0.48 0.00 3.14 0.00 0.00 58.73 61.01 5r1r h TYR 495 Cb 0.93 -0.07 0.08 0.00 1.54 0.00 0.00 36.73 39.21 5r1r h TYR 495 CO 0.00 1.20 0.39 1.14 -1.64 0.00 0.00 178.16 179.26 5r1r s GLN 496 N -3.18 2.52 0.09 1.82 -2.07 -0.33 -5.00 119.66 113.51 5r1r s GLN 496 Ca -0.13 0.29 0.01 0.00 -1.82 0.00 0.00 55.36 53.71 5r1r s GLN 496 Cb 0.04 -2.01 -0.04 0.00 -1.09 0.00 0.00 33.01 29.91 5r1r s GLN 496 CO 0.84 -1.23 0.20 -0.51 -1.32 0.00 0.00 175.29 173.27 5r1r s ASP 497 N -4.44 6.18 -0.27 12.60 1.11 0.07 -5.00 116.67 126.91 5r1r s ASP 497 Ca 0.59 0.18 -0.00 0.00 0.18 0.00 0.00 52.55 53.51 5r1r s ASP 497 Cb -0.11 -1.85 0.05 0.00 1.07 0.00 0.00 42.92 42.08 5r1r s ASP 497 CO 0.50 0.14 -0.06 -0.31 1.18 0.00 0.00 175.17 176.63 5r1r s TYR 498 N -1.55 3.21 0.48 4.23 1.51 -1.26 -4.84 117.35 119.13 5r1r s TYR 498 Ca 0.34 -1.95 0.14 0.00 -1.01 0.00 0.00 57.07 54.59 5r1r s TYR 498 Cb -0.12 -2.03 1.14 0.00 -0.11 0.00 0.00 41.96 40.83 5r1r s TYR 498 CO 0.27 -0.81 2.09 -1.00 -1.11 0.00 0.00 175.55 174.99 5r1r h PRO 499 N 7.93 0.08 -4.78 -1.71 0.13 -1.98 -3.42 132.00 128.25 5r1r h PRO 499 Ca -0.24 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.30 5r1r h PRO 499 Cb 1.07 -0.02 -0.34 0.00 0.13 0.00 0.00 31.00 31.84 5r1r h PRO 499 CO 0.52 0.10 -0.84 0.42 -0.23 0.00 0.00 178.00 177.98 5r1r s ILE 500 N -5.02 1.52 0.25 -3.56 -1.09 -1.26 -5.04 121.20 107.00 5r1r s ILE 500 Ca -0.05 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.61 5r1r s ILE 500 Cb 0.17 -1.39 0.38 0.00 -1.58 0.00 0.00 42.46 40.04 5r1r s ILE 500 CO 0.69 0.45 1.44 -2.65 -1.23 0.00 0.00 174.94 173.63 5r1r n PRO 501 N 4.15 -0.11 0.33 2.79 -0.02 -1.26 0.25 135.00 141.12 5r1r n PRO 501 Ca -0.19 1.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.94 5r1r n PRO 501 Cb 0.51 -2.14 1.15 0.00 -0.02 0.00 0.00 33.50 33.00 5r1r n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 5r1r h ALA 502 N 1.72 1.13 0.10 3.55 0.00 -1.76 -1.17 119.26 122.82 5r1r h ALA 502 Ca 0.42 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 5r1r h ALA 502 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 5r1r h ALA 502 CO -0.94 -0.03 -1.62 0.00 0.00 0.00 0.00 179.25 176.66 5r1r h ALA 503 N 1.96 0.39 0.07 0.00 0.00 -0.39 0.13 119.26 121.42 5r1r h ALA 503 Ca 0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 53.70 5r1r h ALA 503 Cb 0.05 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.22 5r1r h ALA 503 CO -0.00 1.25 -0.04 -0.22 0.00 0.00 0.00 179.25 180.24 5r1r h LYS 504 N 0.06 -0.09 -0.68 0.00 3.64 -1.14 -2.48 116.57 115.87 5r1r h LYS 504 Ca -0.27 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.24 5r1r h LYS 504 Cb 2.01 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 33.72 5r1r h LYS 504 CO 0.13 -0.03 -0.27 0.00 -2.27 0.00 0.00 179.45 177.01 5r1r h ARG 505 N -0.13 -0.08 -0.53 1.90 2.47 -1.34 0.04 114.38 116.72 5r1r h ARG 505 Ca -0.01 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 5r1r h ARG 505 Cb 0.11 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 5r1r h ARG 505 CO 0.02 -0.05 0.05 0.78 0.56 0.00 0.00 179.97 181.32 5r1r h GLY 506 N -0.08 0.97 0.75 0.04 0.00 -1.42 0.82 103.07 104.15 5r1r h GLY 506 Ca 0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 5r1r h GLY 506 CO -0.74 0.63 0.00 0.00 0.00 0.00 0.00 176.54 176.43 5r1r h ALA 507 N 0.96 0.11 -0.12 3.60 0.00 -0.86 -0.16 119.26 122.80 5r1r h ALA 507 Ca 0.15 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 5r1r h ALA 507 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 5r1r h ALA 507 CO 0.02 -0.22 -0.52 0.52 0.00 0.00 0.00 179.25 179.05 5r1r h MET 508 N -0.12 0.32 0.34 0.00 2.86 -1.03 0.44 114.93 117.75 5r1r h MET 508 Ca 0.02 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 5r1r h MET 508 Cb 0.33 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.01 5r1r h MET 508 CO 0.00 0.77 -0.16 0.78 1.06 0.00 0.00 176.91 179.36 5r1r h GLY 509 N 1.29 -0.48 -0.33 8.32 0.00 -0.74 -3.39 103.07 107.74 5r1r h GLY 509 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.52 5r1r h GLY 509 CO 0.09 -0.17 -0.26 0.54 0.00 0.00 0.00 176.54 176.73 5r1r n ARG 510 N -5.16 2.58 -4.24 4.80 1.74 -0.08 -1.54 116.66 114.75 5r1r n ARG 510 Ca -0.10 -0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 56.24 5r1r n ARG 510 Cb 0.27 -1.04 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 5r1r n ARG 510 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 5r1r n ARG 511 N -0.51 -1.43 -2.70 5.56 1.74 0.16 -1.26 116.66 118.22 5r1r n ARG 511 Ca 0.03 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 5r1r n ARG 511 Cb 0.19 -3.78 -0.04 0.00 -1.02 0.00 0.00 32.46 27.81 5r1r n ARG 511 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 5r1r s THR 512 N -4.29 4.56 0.20 0.55 -4.23 -1.26 -3.87 115.64 107.29 5r1r s THR 512 Ca 0.00 2.02 0.10 0.00 -1.18 0.00 0.00 61.69 62.63 5r1r s THR 512 Cb -0.00 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 5r1r s THR 512 CO 0.98 0.26 -0.20 -0.76 -0.54 0.00 0.00 174.62 174.35 5r1r s LEU 513 N 0.33 2.47 -0.36 4.79 1.43 -0.29 -4.33 118.68 122.71 5r1r s LEU 513 Ca 0.49 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 5r1r s LEU 513 Cb -0.23 -0.98 0.12 0.00 0.03 0.00 0.00 46.19 45.13 5r1r s LEU 513 CO 0.30 0.02 0.18 -0.83 0.23 0.00 0.00 176.35 176.25 5r1r s GLY 514 N -2.87 1.19 -0.12 -3.19 0.00 0.13 -2.82 107.32 99.64 5r1r s GLY 514 Ca 0.21 -2.00 -0.04 0.00 0.00 0.00 0.00 44.72 42.88 5r1r s GLY 514 CO 0.09 1.74 0.04 -0.42 0.00 0.00 0.00 173.10 174.56 5r1r s ILE 515 N 1.07 4.66 0.00 0.90 1.01 -0.12 -2.71 121.20 126.00 5r1r s ILE 515 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.69 5r1r s ILE 515 Cb -0.21 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.25 5r1r s ILE 515 CO -0.11 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.01 5r1r n GLY 516 N 2.52 5.18 3.71 6.18 0.00 0.94 -1.33 105.19 122.39 5r1r n GLY 516 Ca -0.18 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 5r1r n GLY 516 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 5r1r s VAL 517 N -0.92 2.30 0.10 1.61 -7.23 -1.26 0.11 120.40 115.11 5r1r s VAL 517 Ca 0.00 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 5r1r s VAL 517 Cb 0.00 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 5r1r s VAL 517 CO 0.00 -0.02 0.16 0.27 -0.31 0.00 0.00 175.10 175.20 5r1r s ILE 518 N -2.61 0.14 -0.38 -0.62 -4.36 -0.56 -4.35 121.20 108.46 5r1r s ILE 518 Ca 0.40 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 5r1r s ILE 518 Cb 0.04 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.27 5r1r s ILE 518 CO 0.22 -0.65 0.00 -3.20 0.24 0.00 0.00 174.94 171.55 5r1r n ASN 519 N -0.06 -3.73 -0.12 4.36 4.05 -0.31 -1.95 115.26 117.50 5r1r n ASN 519 Ca -0.13 0.09 -0.05 0.00 0.45 0.00 0.00 54.58 54.94 5r1r n ASN 519 Cb 0.62 -1.55 0.02 0.00 1.23 0.00 0.00 39.78 40.11 5r1r n ASN 519 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 5r1r h PHE 520 N 0.00 -0.08 -0.48 1.20 3.57 -1.72 0.19 116.94 119.62 5r1r h PHE 520 Ca -0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.48 5r1r h PHE 520 Cb 0.33 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 5r1r h PHE 520 CO 0.16 -0.11 0.28 0.00 -2.23 0.00 0.00 178.31 176.42 5r1r h ALA 521 N 1.36 0.61 -0.51 2.41 0.00 -1.80 0.18 119.26 121.51 5r1r h ALA 521 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 5r1r h ALA 521 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 5r1r h ALA 521 CO -0.35 -0.02 0.03 -0.92 0.00 0.00 0.00 179.25 177.98 5r1r h TYR 522 N 0.57 0.89 -0.11 0.00 3.20 -1.84 0.40 116.97 120.07 5r1r h TYR 522 Ca 0.19 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.95 5r1r h TYR 522 Cb 0.02 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 5r1r h TYR 522 CO -0.07 0.80 0.06 -0.92 -1.64 0.00 0.00 178.16 176.39 5r1r h TYR 523 N 0.79 0.11 -0.24 -3.82 3.20 0.91 -1.18 116.97 116.75 5r1r h TYR 523 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 5r1r h TYR 523 Cb 0.43 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 5r1r h TYR 523 CO 0.02 0.07 0.07 -0.07 -1.64 0.00 0.00 178.16 176.61 5r1r h LEU 524 N 0.13 0.30 -0.35 2.82 3.38 -0.12 -2.15 115.31 119.31 5r1r h LEU 524 Ca 0.04 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 5r1r h LEU 524 Cb -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 5r1r h LEU 524 CO -0.02 0.30 -0.59 0.00 0.09 0.00 0.00 178.44 178.22 5r1r h ALA 525 N 1.75 0.52 -0.39 1.53 0.00 -0.14 -0.13 119.26 122.39 5r1r h ALA 525 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 5r1r h ALA 525 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 5r1r h ALA 525 CO -0.01 0.69 0.26 0.87 0.00 0.00 0.00 179.25 181.06 5r1r h LYS 526 N 0.57 0.51 -0.42 0.00 1.57 -0.61 -0.70 116.57 117.49 5r1r h LYS 526 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 5r1r h LYS 526 Cb 1.18 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.38 5r1r h LYS 526 CO 0.12 0.34 0.00 0.72 -0.57 0.00 0.00 179.45 180.06 5r1r n HIS 527 N -4.48 0.56 -3.13 -1.35 8.25 -0.97 -4.94 115.22 109.16 5r1r n HIS 527 Ca 0.03 -0.28 -0.23 0.00 -0.26 0.00 0.00 57.72 56.98 5r1r n HIS 527 Cb 0.06 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.21 5r1r n HIS 527 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5r1r n GLY 528 N 1.25 -0.52 3.92 -1.41 0.00 -0.27 -5.01 105.19 103.15 5r1r n GLY 528 Ca 0.16 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 5r1r n GLY 528 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r s LYS 529 N -5.81 2.40 0.21 1.61 -0.14 -0.14 -5.04 119.74 112.83 5r1r s LYS 529 Ca 0.35 -1.72 -0.00 0.00 -1.36 0.00 0.00 55.97 53.24 5r1r s LYS 529 Cb -0.16 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 5r1r s LYS 529 CO 0.43 -0.48 0.10 1.03 -0.76 0.00 0.00 175.35 175.67 5r1r s ARG 530 N -4.30 1.23 -0.07 1.68 0.52 -1.26 -4.47 118.95 112.29 5r1r s ARG 530 Ca 0.46 -1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 5r1r s ARG 530 Cb -0.04 0.05 -0.29 0.00 0.52 0.00 0.00 34.95 35.19 5r1r s ARG 530 CO 0.28 -0.32 0.59 1.88 0.02 0.00 0.00 175.30 177.75 5r1r h TYR 531 N 2.57 0.62 0.00 -0.53 -1.99 -1.96 -3.33 116.97 112.35 5r1r h TYR 531 Ca -0.37 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 59.91 5r1r h TYR 531 Cb 1.24 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.95 5r1r h TYR 531 CO 0.41 1.67 -0.26 -1.13 -0.00 0.00 0.00 178.16 178.85 5r1r n SER 532 N -3.67 0.48 -0.14 3.88 3.41 -1.26 -3.40 113.62 112.93 5r1r n SER 532 Ca -0.26 0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 5r1r n SER 532 Cb 1.03 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 5r1r n SER 532 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 5r1r n ASP 533 N -1.84 1.20 0.00 4.04 5.68 -1.26 -4.01 116.55 120.36 5r1r n ASP 533 Ca 0.05 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 5r1r n ASP 533 Cb 0.39 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.10 5r1r n ASP 533 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5r1r n GLY 534 N 1.47 0.74 0.10 6.12 0.00 -1.26 -4.93 105.19 107.43 5r1r n GLY 534 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 5r1r n GLY 534 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5r1r n SER 535 N 0.00 0.51 -0.79 1.61 3.41 -1.26 -2.61 113.62 114.48 5r1r n SER 535 Ca 0.00 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 5r1r n SER 535 Cb 0.00 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 63.34 5r1r n SER 535 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5r1r n ALA 536 N -1.71 2.41 0.21 7.33 0.00 -1.25 -4.71 120.51 122.79 5r1r n ALA 536 Ca 0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 5r1r n ALA 536 Cb 0.20 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 5r1r n ALA 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 5r1r h ASN 537 N 3.35 -1.06 -0.27 0.00 4.21 -1.84 0.27 115.58 120.24 5r1r h ASN 537 Ca 0.00 0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 5r1r h ASN 537 Cb 0.77 0.37 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 5r1r h ASN 537 CO 0.00 -0.52 0.04 0.78 -1.29 0.00 0.00 177.43 176.44 5r1r h ASN 538 N -0.75 0.44 -0.64 5.81 2.35 -1.84 0.14 115.58 121.09 5r1r h ASN 538 Ca -0.02 -0.27 0.07 0.00 -0.55 0.00 0.00 56.30 55.53 5r1r h ASN 538 Cb 0.69 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 5r1r h ASN 538 CO -0.10 0.60 0.32 0.25 -1.65 0.00 0.00 177.43 176.85 5r1r h LEU 539 N 0.27 0.45 -0.21 1.61 5.85 -1.84 0.32 115.31 121.76 5r1r h LEU 539 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 5r1r h LEU 539 Cb 0.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 5r1r h LEU 539 CO 0.01 0.28 0.06 0.74 -0.34 0.00 0.00 178.44 179.19 5r1r h THR 540 N 0.59 0.93 -0.67 1.05 2.02 0.04 0.27 112.91 117.14 5r1r h THR 540 Ca 0.30 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.52 5r1r h THR 540 Cb 0.25 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 5r1r h THR 540 CO -0.22 0.03 0.31 -0.74 0.37 0.00 0.00 175.52 175.27 5r1r h HIS 541 N 0.15 0.55 -0.56 3.16 -0.00 0.86 -0.31 115.15 119.01 5r1r h HIS 541 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 5r1r h HIS 541 Cb 0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 5r1r h HIS 541 CO -0.13 0.19 0.26 -0.22 -0.00 0.00 0.00 177.93 178.03 5r1r h LYS 542 N 0.54 0.82 0.00 5.26 3.64 0.09 -2.00 116.57 124.91 5r1r h LYS 542 Ca 0.33 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 5r1r h LYS 542 Cb 0.36 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 5r1r h LYS 542 CO -0.27 0.68 -0.61 1.15 -2.27 0.00 0.00 179.45 178.13 5r1r h THR 543 N 0.76 1.43 0.00 1.00 2.02 0.65 -2.07 112.91 116.70 5r1r h THR 543 Ca 0.19 -2.10 -0.21 0.00 0.77 0.00 0.00 66.41 65.06 5r1r h THR 543 Cb 0.14 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 5r1r h THR 543 CO -0.02 0.60 -1.39 -0.26 0.37 0.00 0.00 175.52 174.81 5r1r h PHE 544 N 0.00 0.00 -0.19 3.16 -1.00 -1.05 -2.02 116.94 115.85 5r1r h PHE 544 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 5r1r h PHE 544 Cb 1.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 5r1r h PHE 544 CO 0.00 0.75 0.07 1.49 -1.61 0.00 0.00 178.31 179.01 5r1r h GLU 545 N 0.00 0.29 -0.13 1.51 4.81 -1.36 0.11 114.58 119.82 5r1r h GLU 545 Ca -0.18 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 5r1r h GLU 545 Cb 1.72 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 5r1r h GLU 545 CO 0.07 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 5r1r h ALA 546 N 0.91 0.11 -0.16 2.92 0.00 -1.38 0.21 119.26 121.87 5r1r h ALA 546 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 5r1r h ALA 546 Cb 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 5r1r h ALA 546 CO -0.00 -0.45 -0.17 0.82 0.00 0.00 0.00 179.25 179.44 5r1r h ILE 547 N 0.05 0.54 -0.42 0.00 2.04 -1.12 -1.88 117.51 116.73 5r1r h ILE 547 Ca 0.06 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 5r1r h ILE 547 Cb 0.06 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 5r1r h ILE 547 CO -0.09 0.00 -0.26 -0.61 0.00 0.00 0.00 178.15 177.18 5r1r h GLN 548 N -0.20 0.88 0.46 2.37 5.75 -0.45 -2.47 115.11 121.45 5r1r h GLN 548 Ca 0.11 -0.39 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 5r1r h GLN 548 Cb 0.36 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.89 5r1r h GLN 548 CO -0.28 1.04 -0.24 -0.92 -2.65 0.00 0.00 178.83 175.78 5r1r h TYR 549 N 0.75 -0.62 -0.24 3.99 3.20 -0.27 -1.40 116.97 122.38 5r1r h TYR 549 Ca 0.09 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 5r1r h TYR 549 Cb 0.82 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 5r1r h TYR 549 CO 0.05 -0.38 0.00 1.88 -1.64 0.00 0.00 178.16 178.07 5r1r h TYR 550 N -0.64 0.36 -0.18 -3.82 0.05 -1.40 0.96 116.97 112.29 5r1r h TYR 550 Ca -0.06 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 5r1r h TYR 550 Cb 0.50 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 5r1r h TYR 550 CO -0.06 0.37 0.03 -0.07 -1.05 0.00 0.00 178.16 177.38 5r1r h LEU 551 N 0.35 0.29 -0.61 3.88 3.38 -1.32 0.15 115.31 121.43 5r1r h LEU 551 Ca 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 5r1r h LEU 551 Cb 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 5r1r h LEU 551 CO 0.00 0.48 0.23 -0.07 0.09 0.00 0.00 178.44 179.18 5r1r h LEU 552 N 0.09 0.85 -0.30 1.67 3.38 -0.72 -0.66 115.31 119.63 5r1r h LEU 552 Ca 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 5r1r h LEU 552 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 5r1r h LEU 552 CO 0.00 0.80 0.20 0.50 0.09 0.00 0.00 178.44 180.03 5r1r h LYS 553 N 0.85 0.39 -0.95 1.13 3.64 -0.63 0.48 116.57 121.48 5r1r h LYS 553 Ca 0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 5r1r h LYS 553 Cb 0.22 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 5r1r h LYS 553 CO -0.01 0.26 0.57 0.00 -2.27 0.00 0.00 179.45 178.00 5r1r h ALA 554 N 1.11 1.21 -0.18 5.00 0.00 -0.43 0.18 119.26 126.15 5r1r h ALA 554 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 5r1r h ALA 554 Cb -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 5r1r h ALA 554 CO -0.03 0.67 -0.48 1.03 0.00 0.00 0.00 179.25 180.44 5r1r h SER 555 N 1.31 0.52 -0.30 0.00 0.87 -0.24 -1.43 113.55 114.29 5r1r h SER 555 Ca 0.34 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 5r1r h SER 555 Cb -0.06 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 5r1r h SER 555 CO -0.06 0.92 -0.05 -1.13 -0.53 0.00 0.00 176.83 175.97 5r1r h ASN 556 N 0.38 0.57 -0.71 6.23 -0.00 0.43 -1.01 115.58 121.47 5r1r h ASN 556 Ca 0.02 -0.35 0.07 0.00 -0.00 0.00 0.00 56.30 56.04 5r1r h ASN 556 Cb 0.98 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 39.10 5r1r h ASN 556 CO 0.09 0.79 0.47 -0.33 -0.00 0.00 0.00 177.43 178.44 5r1r h GLU 557 N 0.34 0.70 0.00 6.67 4.39 -0.49 -0.67 114.58 125.53 5r1r h GLU 557 Ca 0.08 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 5r1r h GLU 557 Cb 0.53 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 5r1r h GLU 557 CO 0.03 0.47 -0.86 1.25 -1.16 0.00 0.00 179.01 178.73 5r1r h LEU 558 N 0.72 0.21 -0.35 1.33 5.85 -0.98 -2.76 115.31 119.33 5r1r h LEU 558 Ca 0.31 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 5r1r h LEU 558 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 5r1r h LEU 558 CO -0.10 0.97 -0.24 0.00 -0.34 0.00 0.00 178.44 178.73 5r1r h ALA 559 N 1.02 0.50 -0.27 1.25 0.00 0.18 -0.39 119.26 121.55 5r1r h ALA 559 Ca -0.04 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.54 5r1r h ALA 559 Cb 1.49 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 5r1r h ALA 559 CO 0.13 0.49 -0.44 0.87 0.00 0.00 0.00 179.25 180.29 5r1r h LYS 560 N 0.57 -0.40 0.09 0.00 1.57 -1.39 1.00 116.57 118.00 5r1r h LYS 560 Ca 0.07 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 5r1r h LYS 560 Cb 0.80 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.20 5r1r h LYS 560 CO 0.07 -0.27 -0.04 1.49 -0.57 0.00 0.00 179.45 180.12 5r1r h GLU 561 N -0.42 -0.11 0.00 3.15 4.81 -1.32 -3.38 114.58 117.30 5r1r h GLU 561 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 5r1r h GLU 561 Cb 0.61 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 5r1r h GLU 561 CO -0.49 0.10 -0.01 1.04 -0.73 0.00 0.00 179.01 178.92 5r1r n GLN 562 N -5.05 2.40 0.00 1.92 6.02 -0.17 -5.11 117.38 117.40 5r1r n GLN 562 Ca -0.08 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 5r1r n GLN 562 Cb 0.15 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.46 5r1r n GLN 562 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5r1r n GLY 563 N -0.48 -0.52 3.72 1.08 0.00 0.34 -4.98 105.19 104.34 5r1r n GLY 563 Ca 0.01 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 5r1r n GLY 563 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r s ALA 564 N -1.21 1.91 0.40 4.61 0.00 -1.26 -4.62 121.76 121.60 5r1r s ALA 564 Ca 0.00 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 5r1r s ALA 564 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 5r1r s ALA 564 CO 0.00 -2.20 1.43 0.00 0.00 0.00 0.00 175.76 174.99 5r1r n PRO 566 N 0.21 -0.11 -0.92 0.00 -0.02 -1.21 -0.22 135.00 132.73 5r1r n PRO 566 Ca 0.03 1.49 -0.15 0.00 -2.02 0.00 0.00 63.50 62.86 5r1r n PRO 566 Cb 0.39 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.82 5r1r n PRO 566 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 5r1r n TRP 567 N -5.54 2.28 -0.13 6.00 8.01 -0.59 -4.54 117.44 122.93 5r1r n TRP 567 Ca 0.15 -1.40 0.15 0.00 -1.31 0.00 0.00 57.50 55.09 5r1r n TRP 567 Cb 0.47 -0.74 0.53 0.00 -2.01 0.00 0.00 31.31 29.56 5r1r n TRP 567 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 5r1r h PHE 568 N 1.15 0.42 -0.01 -5.99 3.57 -0.84 -0.08 116.94 115.16 5r1r h PHE 568 Ca 0.42 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 5r1r h PHE 568 Cb 2.34 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.94 5r1r h PHE 568 CO 1.19 0.17 0.23 -2.95 -2.23 0.00 0.00 178.31 174.72 5r1r h ASN 569 N 0.36 0.00 0.37 0.41 7.08 -1.83 -1.20 115.58 120.77 5r1r h ASN 569 Ca 0.34 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.56 5r1r h ASN 569 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 5r1r h ASN 569 CO -0.10 0.00 -0.24 -0.62 -2.08 0.00 0.00 177.43 174.40 5r1r n GLU 570 N -2.97 0.60 -2.23 4.14 1.02 -0.04 -4.90 120.64 116.25 5r1r n GLU 570 Ca -0.02 -0.30 -0.29 0.00 -0.02 0.00 0.00 57.16 56.53 5r1r n GLU 570 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 5r1r n GLU 570 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 5r1r s THR 571 N -2.61 4.49 -0.14 2.62 -4.23 -0.45 -1.52 115.64 113.80 5r1r s THR 571 Ca 0.23 0.45 0.27 0.00 -1.18 0.00 0.00 61.69 61.46 5r1r s THR 571 Cb 0.19 -3.76 0.33 0.00 1.34 0.00 0.00 72.50 70.60 5r1r s THR 571 CO 0.54 -0.88 1.77 0.71 -0.54 0.00 0.00 174.62 176.22 5r1r h THR 572 N -0.13 0.13 -0.35 3.99 1.35 -0.30 -2.86 112.91 114.74 5r1r h THR 572 Ca -0.45 -0.92 0.01 0.00 -0.55 0.00 0.00 66.41 64.50 5r1r h THR 572 Cb 1.21 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.42 5r1r h THR 572 CO 0.62 0.06 0.23 1.88 -0.25 0.00 0.00 175.52 178.06 5r1r h TYR 573 N 0.00 0.43 -0.60 4.73 0.05 -1.69 -1.46 116.97 118.42 5r1r h TYR 573 Ca -0.00 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.90 5r1r h TYR 573 Cb 0.81 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 5r1r h TYR 573 CO 0.00 0.26 0.41 0.00 -1.05 0.00 0.00 178.16 177.78 5r1r h ALA 574 N 1.14 2.11 -0.35 3.88 0.00 -1.70 -0.69 119.26 123.66 5r1r h ALA 574 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 5r1r h ALA 574 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 5r1r h ALA 574 CO -0.04 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.58 5r1r n LYS 575 N -4.46 2.81 -1.10 0.00 5.02 -0.92 -4.80 118.16 114.72 5r1r n LYS 575 Ca 0.10 -1.67 -0.03 0.00 -2.02 0.00 0.00 58.31 54.69 5r1r n LYS 575 Cb 0.43 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 5r1r n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5r1r n GLY 576 N 0.58 0.64 3.75 0.72 0.00 -0.27 -5.03 105.19 105.59 5r1r n GLY 576 Ca 0.15 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 5r1r n GLY 576 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5r1r s ILE 577 N -2.05 5.17 0.23 -0.61 1.01 -0.60 -5.02 121.20 119.32 5r1r s ILE 577 Ca 0.00 0.86 0.12 0.00 0.00 0.00 0.00 60.65 61.63 5r1r s ILE 577 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 5r1r s ILE 577 CO 0.00 0.40 -0.22 -0.76 0.00 0.00 0.00 174.94 174.36 5r1r s LEU 578 N 0.19 2.50 0.25 2.97 1.43 -1.26 -3.81 118.68 120.95 5r1r s LEU 578 Ca 0.24 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 5r1r s LEU 578 Cb -0.15 -1.13 0.49 0.00 0.03 0.00 0.00 46.19 45.43 5r1r s LEU 578 CO 0.10 0.08 1.69 -0.65 0.23 0.00 0.00 176.35 177.80 5r1r h PRO 579 N 2.80 0.27 0.00 1.29 0.10 -1.94 0.82 132.00 135.35 5r1r h PRO 579 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.65 5r1r h PRO 579 Cb 1.23 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.27 5r1r h PRO 579 CO 0.53 0.18 0.05 0.44 0.10 0.00 0.00 178.00 179.30 5r1r n ILE 580 N -5.15 1.69 -0.05 4.15 -5.35 -1.26 -0.89 119.36 112.50 5r1r n ILE 580 Ca 0.15 0.53 -0.01 0.00 -0.27 0.00 0.00 62.75 63.15 5r1r n ILE 580 Cb 0.48 -1.53 -0.15 0.00 -1.74 0.00 0.00 39.64 36.69 5r1r n ILE 580 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 5r1r n ASP 581 N -1.56 0.12 -0.55 7.28 8.00 0.28 -4.63 116.55 125.49 5r1r n ASP 581 Ca -0.00 0.05 0.05 0.00 0.71 0.00 0.00 54.79 55.60 5r1r n ASP 581 Cb 0.05 1.25 0.12 0.00 -0.02 0.00 0.00 41.12 42.53 5r1r n ASP 581 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 5r1r n THR 582 N -2.59 0.76 -1.25 -3.53 -2.24 -0.07 -5.01 114.28 100.35 5r1r n THR 582 Ca -0.19 -0.88 -0.32 0.00 -2.27 0.00 0.00 64.05 60.39 5r1r n THR 582 Cb 0.90 0.67 0.10 0.00 -2.10 0.00 0.00 70.33 69.90 5r1r n THR 582 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 5r1r s TYR 583 N -0.97 2.33 -0.12 4.78 -0.85 -1.10 -4.40 117.35 117.02 5r1r s TYR 583 Ca 0.19 1.61 -0.29 0.00 -0.52 0.00 0.00 57.07 58.06 5r1r s TYR 583 Cb 0.11 -3.18 -0.05 0.00 0.38 0.00 0.00 41.96 39.22 5r1r s TYR 583 CO 0.14 -2.07 1.74 0.21 -1.52 0.00 0.00 175.55 174.05 5r1r s LYS 584 N -4.59 3.91 0.33 -3.49 2.47 -1.26 -4.89 119.74 112.21 5r1r s LYS 584 Ca 0.65 2.02 0.10 0.00 -1.56 0.00 0.00 55.97 57.18 5r1r s LYS 584 Cb -0.20 -4.07 0.98 0.00 -1.46 0.00 0.00 37.83 33.07 5r1r s LYS 584 CO 0.53 -1.17 1.62 1.57 0.16 0.00 0.00 175.35 178.06 5r1r h LYS 585 N 10.74 0.16 0.00 4.03 -0.00 -1.92 -2.18 116.57 127.40 5r1r h LYS 585 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.25 5r1r h LYS 585 Cb 1.18 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 5r1r h LYS 585 CO 0.97 0.11 0.14 -0.44 -0.00 0.00 0.00 179.45 180.23 5r1r h ASP 586 N 0.17 0.00 -0.11 7.07 5.19 -1.90 -0.63 116.42 126.20 5r1r h ASP 586 Ca 0.68 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 57.08 5r1r h ASP 586 Cb 1.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 5r1r h ASP 586 CO -0.71 0.00 0.04 -0.07 -3.12 0.00 0.00 179.24 175.38 5r1r h LEU 587 N 0.00 0.20 -1.03 1.55 3.38 -1.71 -2.22 115.31 115.49 5r1r h LEU 587 Ca 0.00 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.17 5r1r h LEU 587 Cb 0.28 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 5r1r h LEU 587 CO 0.00 0.20 0.61 0.44 0.09 0.00 0.00 178.44 179.78 5r1r h ASP 588 N 0.23 0.73 0.48 -0.43 3.32 -1.34 -0.60 116.42 118.80 5r1r h ASP 588 Ca 0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.22 5r1r h ASP 588 Cb 0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 5r1r h ASP 588 CO -0.00 0.21 0.00 0.35 -1.72 0.00 0.00 179.24 178.08 5r1r n THR 589 N -4.80 1.00 -0.97 0.35 -2.24 -0.83 -3.40 114.28 103.40 5r1r n THR 589 Ca 0.25 0.25 0.06 0.00 -2.27 0.00 0.00 64.05 62.34 5r1r n THR 589 Cb 0.64 -1.01 0.08 0.00 -2.10 0.00 0.00 70.33 67.95 5r1r n THR 589 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 5r1r n ILE 590 N -1.49 1.32 -3.45 2.28 -5.35 -0.24 -5.03 119.36 107.39 5r1r n ILE 590 Ca 0.04 -1.54 0.01 0.00 -0.27 0.00 0.00 62.75 60.98 5r1r n ILE 590 Cb 0.16 0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.11 5r1r n ILE 590 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 5r1r s ALA 591 N -1.90 -2.60 -0.95 -1.28 0.00 -1.18 -4.80 121.76 109.06 5r1r s ALA 591 Ca 0.19 2.09 0.20 0.00 0.00 0.00 0.00 51.96 54.44 5r1r s ALA 591 Cb 0.16 -1.98 -0.22 0.00 0.00 0.00 0.00 23.12 21.07 5r1r s ALA 591 CO 0.02 -0.86 0.86 0.27 0.00 0.00 0.00 175.76 176.05 5r1r n ASN 592 N 4.81 0.95 -4.55 0.00 6.94 -1.26 -4.73 115.26 117.42 5r1r n ASN 592 Ca -0.11 -0.96 -0.57 0.00 -0.02 0.00 0.00 54.58 52.92 5r1r n ASN 592 Cb 0.53 1.02 -0.07 0.00 -2.36 0.00 0.00 39.78 38.90 5r1r n ASN 592 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 5r1r n GLU 593 N -1.50 0.42 -3.23 -3.83 4.07 -1.26 -4.92 120.64 110.40 5r1r n GLU 593 Ca 0.04 0.15 -0.33 0.00 -0.06 0.00 0.00 57.16 56.96 5r1r n GLU 593 Cb 0.32 -1.71 -0.06 0.00 -0.06 0.00 0.00 31.44 29.94 5r1r n GLU 593 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 5r1r s PRO 594 N 0.38 4.00 0.31 5.31 0.04 -1.26 -4.98 135.00 138.80 5r1r s PRO 594 Ca 0.89 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 5r1r s PRO 594 Cb -1.17 -2.64 -0.11 0.00 0.04 0.00 0.00 34.50 30.63 5r1r s PRO 594 CO 0.55 0.28 1.51 -0.51 0.04 0.00 0.00 177.00 178.87 5r1r s LEU 595 N -2.61 4.35 0.00 -3.56 1.43 -1.26 -4.88 118.68 112.15 5r1r s LEU 595 Ca 0.48 2.91 0.20 0.00 -1.03 0.00 0.00 54.13 56.69 5r1r s LEU 595 Cb -0.12 -3.64 0.17 0.00 0.03 0.00 0.00 46.19 42.62 5r1r s LEU 595 CO 0.19 -0.83 1.15 1.41 0.23 0.00 0.00 176.35 178.50 5r1r n HIS 596 N 1.58 0.02 -4.36 0.29 8.25 -1.26 -5.00 115.22 114.74 5r1r n HIS 596 Ca 0.05 -0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 5r1r n HIS 596 Cb 0.39 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 5r1r n HIS 596 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 5r1r s TYR 597 N -1.67 2.50 -0.89 4.41 2.02 -1.26 -5.06 117.35 117.39 5r1r s TYR 597 Ca 0.24 -0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 5r1r s TYR 597 Cb 0.17 -1.19 0.05 0.00 -0.40 0.00 0.00 41.96 40.60 5r1r s TYR 597 CO 0.25 0.56 1.32 0.34 -1.57 0.00 0.00 175.55 176.45 5r1r s ASP 598 N -3.01 6.38 0.14 2.29 -1.08 -1.26 -4.75 116.67 115.38 5r1r s ASP 598 Ca 0.25 -1.16 0.10 0.00 -0.52 0.00 0.00 52.55 51.22 5r1r s ASP 598 Cb -0.08 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.70 5r1r s ASP 598 CO 0.14 -1.56 1.24 -0.50 0.52 0.00 0.00 175.17 175.01 5r1r h TRP 599 N 9.75 0.00 -0.32 -5.34 4.06 -1.98 -3.07 115.95 119.05 5r1r h TRP 599 Ca 0.01 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 5r1r h TRP 599 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 5r1r h TRP 599 CO 1.20 0.87 -0.40 0.93 -3.56 0.00 0.00 178.44 177.47 5r1r h GLU 600 N 0.00 0.84 0.28 0.49 4.39 -1.99 0.48 114.58 119.07 5r1r h GLU 600 Ca -0.04 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.19 5r1r h GLU 600 Cb 1.70 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 5r1r h GLU 600 CO 0.11 1.11 -0.26 0.00 -1.16 0.00 0.00 179.01 178.81 5r1r h ALA 601 N 0.72 -0.54 -0.92 3.43 0.00 -1.97 -2.11 119.26 117.86 5r1r h ALA 601 Ca 0.04 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.95 5r1r h ALA 601 Cb 1.00 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 5r1r h ALA 601 CO 0.10 -0.84 0.57 1.25 0.00 0.00 0.00 179.25 180.33 5r1r h LEU 602 N -0.56 0.88 0.02 0.00 5.85 -1.42 0.34 115.31 120.42 5r1r h LEU 602 Ca -0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 5r1r h LEU 602 Cb 0.51 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 5r1r h LEU 602 CO -0.04 0.53 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.17 5r1r h ARG 603 N 1.00 -0.47 -0.25 1.25 2.43 0.61 0.23 114.38 119.18 5r1r h ARG 603 Ca 0.42 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.64 5r1r h ARG 603 Cb 0.27 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 5r1r h ARG 603 CO -0.21 -0.31 0.12 0.93 -1.51 0.00 0.00 179.97 178.99 5r1r h GLU 604 N -0.49 0.25 -0.94 0.20 4.39 -0.91 0.33 114.58 117.41 5r1r h GLU 604 Ca 0.05 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.85 5r1r h GLU 604 Cb 0.57 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 5r1r h GLU 604 CO -0.25 0.16 0.60 1.03 -1.16 0.00 0.00 179.01 179.39 5r1r h SER 605 N 0.25 0.84 0.18 1.42 0.87 -0.30 0.67 113.55 117.49 5r1r h SER 605 Ca 0.10 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 5r1r h SER 605 Cb 0.03 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 5r1r h SER 605 CO -0.08 0.47 -0.09 0.40 -0.53 0.00 0.00 176.83 177.01 5r1r h ILE 606 N 0.92 0.93 -0.69 2.23 2.04 -0.12 -2.04 117.51 120.77 5r1r h ILE 606 Ca 0.45 -0.81 0.13 0.00 1.00 0.00 0.00 64.86 65.64 5r1r h ILE 606 Cb 0.47 1.39 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 5r1r h ILE 606 CO -0.21 0.18 0.21 0.50 0.00 0.00 0.00 178.15 178.82 5r1r h LYS 607 N -0.66 0.33 0.13 2.37 3.64 -0.07 0.65 116.57 122.96 5r1r h LYS 607 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 5r1r h LYS 607 Cb 0.47 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 5r1r h LYS 607 CO 0.04 0.22 -0.06 1.15 -2.27 0.00 0.00 179.45 178.53 5r1r h THR 608 N 0.34 0.00 0.00 1.00 2.02 -0.96 -3.39 112.91 111.92 5r1r h THR 608 Ca 0.38 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.47 5r1r h THR 608 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 5r1r h THR 608 CO -0.43 0.00 -0.73 0.45 0.37 0.00 0.00 175.52 175.19 5r1r h HIS 609 N -0.25 0.00 0.00 3.16 3.86 -1.38 -3.51 115.15 117.03 5r1r h HIS 609 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 5r1r h HIS 609 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 5r1r h HIS 609 CO 0.11 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.31 5r1r n GLY 610 N 1.30 -2.14 3.25 2.45 0.00 0.23 -4.44 105.19 105.84 5r1r n GLY 610 Ca 0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 5r1r n GLY 610 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5r1r s LEU 611 N 0.00 2.04 0.16 0.99 1.43 -1.26 -4.41 118.68 117.63 5r1r s LEU 611 Ca 0.00 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 5r1r s LEU 611 Cb 0.00 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.98 5r1r s LEU 611 CO 0.00 0.25 1.81 -0.09 0.23 0.00 0.00 176.35 178.55 5r1r h ARG 612 N 5.96 0.54 -6.15 1.70 9.65 -1.70 -2.31 114.38 122.06 5r1r h ARG 612 Ca -0.34 -0.03 -0.68 0.00 -1.10 0.00 0.00 59.98 57.82 5r1r h ARG 612 Cb 1.16 -0.12 -0.23 0.00 -1.39 0.00 0.00 29.97 29.39 5r1r h ARG 612 CO 0.47 0.35 -0.76 -0.80 2.80 0.00 0.00 179.97 182.04 5r1r s ASN 613 N -5.56 4.10 0.44 -3.80 -0.87 -1.26 -2.77 114.94 105.22 5r1r s ASN 613 Ca -0.13 -0.20 0.24 0.00 -1.57 0.00 0.00 52.86 51.21 5r1r s ASN 613 Cb 0.11 -1.00 0.59 0.00 -0.02 0.00 0.00 41.25 40.93 5r1r s ASN 613 CO 0.73 0.32 1.69 0.28 -2.57 0.00 0.00 177.10 177.55 5r1r h SER 614 N 5.55 0.00 -4.79 -1.22 0.02 -1.29 -3.45 113.55 108.37 5r1r h SER 614 Ca -0.43 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.36 5r1r h SER 614 Cb 1.16 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.49 5r1r h SER 614 CO 0.51 0.10 -0.50 0.42 -1.14 0.00 0.00 176.83 176.22 5r1r s THR 615 N -3.32 0.07 0.00 -2.27 -4.23 -1.26 -4.86 115.64 99.76 5r1r s THR 615 Ca 0.05 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 5r1r s THR 615 Cb 0.07 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.51 5r1r s THR 615 CO 0.65 -0.32 0.00 0.18 -0.54 0.00 0.00 174.62 174.59 5r1r n LEU 616 N 1.70 0.00 -4.26 4.79 4.32 -1.13 -1.14 117.00 121.28 5r1r n LEU 616 Ca -0.21 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.54 5r1r n LEU 616 Cb 0.56 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.23 5r1r n LEU 616 CO 0.21 0.00 -0.51 -0.94 -1.22 0.00 0.00 177.39 174.92 5r1r s SER 617 N -0.81 2.43 -0.29 -1.43 1.04 -1.24 -0.95 113.70 112.45 5r1r s SER 617 Ca 0.00 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 5r1r s SER 617 Cb 0.00 -0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.10 5r1r s SER 617 CO 0.00 0.10 0.93 0.00 0.98 0.00 0.00 173.24 175.24 5r1r s ALA 618 N -0.98 -2.30 -0.64 5.32 0.00 -0.44 -1.86 121.76 120.86 5r1r s ALA 618 Ca 0.06 2.21 -0.16 0.00 0.00 0.00 0.00 51.96 54.07 5r1r s ALA 618 Cb -0.09 -1.75 0.15 0.00 0.00 0.00 0.00 23.12 21.43 5r1r s ALA 618 CO 0.03 -0.50 0.63 -0.51 0.00 0.00 0.00 175.76 175.41 5r1r s LEU 619 N 1.68 6.17 0.32 0.00 1.43 -0.66 -3.16 118.68 124.46 5r1r s LEU 619 Ca -0.08 -1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 50.99 5r1r s LEU 619 Cb -0.05 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 5r1r s LEU 619 CO -0.16 -0.83 0.60 -0.04 0.23 0.00 0.00 176.35 176.14 5r1r s MET 620 N 1.43 3.63 0.94 1.70 -1.94 -1.26 -0.97 119.30 122.83 5r1r s MET 620 Ca 0.10 0.04 -0.13 0.00 -1.71 0.00 0.00 55.69 53.98 5r1r s MET 620 Cb -0.23 -2.60 0.16 0.00 2.01 0.00 0.00 34.83 34.17 5r1r s MET 620 CO -0.00 0.15 1.16 -1.25 -0.01 0.00 0.00 175.02 175.07 5r1r s PRO 621 N -3.74 0.91 -0.38 2.03 0.04 -1.26 -4.73 135.00 127.87 5r1r s PRO 621 Ca 0.45 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.59 5r1r s PRO 621 Cb -0.10 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.81 5r1r s PRO 621 CO 0.32 -2.32 0.99 -1.54 0.04 0.00 0.00 177.00 174.48 5r1r s SER 622 N -4.18 -0.60 0.12 6.66 1.04 -1.26 -4.92 113.70 110.55 5r1r s SER 622 Ca 0.66 -0.60 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 5r1r s SER 622 Cb -0.12 0.78 -0.06 0.00 0.10 0.00 0.00 66.02 66.71 5r1r s SER 622 CO 0.53 -0.03 1.69 -0.08 0.98 0.00 0.00 173.24 176.33 5r1r h GLU 623 N 4.77 -0.15 0.67 4.02 4.57 -1.98 -1.94 114.58 124.55 5r1r h GLU 623 Ca 0.01 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 5r1r h GLU 623 Cb 1.17 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 5r1r h GLU 623 CO -0.07 -0.10 -0.32 1.15 -1.18 0.00 0.00 179.01 178.49 5r1r h THR 624 N -0.16 0.00 -0.69 0.32 2.02 -1.99 -1.55 112.91 110.86 5r1r h THR 624 Ca 0.06 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.98 5r1r h THR 624 Cb 0.25 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 5r1r h THR 624 CO -0.16 0.00 0.38 0.77 0.37 0.00 0.00 175.52 176.88 5r1r h SER 625 N -1.24 0.54 -0.55 4.18 4.64 -1.87 -1.20 113.55 118.06 5r1r h SER 625 Ca -0.09 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 5r1r h SER 625 Cb 0.69 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 5r1r h SER 625 CO 0.15 0.34 0.23 0.28 -0.87 0.00 0.00 176.83 176.97 5r1r h SER 626 N 0.68 0.27 -0.66 4.97 0.02 -1.33 -1.95 113.55 115.56 5r1r h SER 626 Ca 0.31 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 5r1r h SER 626 Cb 0.23 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 5r1r h SER 626 CO -0.20 0.18 0.34 1.56 -1.14 0.00 0.00 176.83 177.57 5r1r h GLN 627 N 0.44 0.59 -0.80 3.45 4.20 -0.18 -1.19 115.11 121.62 5r1r h GLN 627 Ca 0.26 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.04 5r1r h GLN 627 Cb 0.26 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 5r1r h GLN 627 CO -0.24 0.39 0.52 0.82 -0.67 0.00 0.00 178.83 179.65 5r1r h ILE 628 N 0.61 0.94 -0.33 2.54 1.08 -0.62 -1.60 117.51 120.13 5r1r h ILE 628 Ca 0.31 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 5r1r h ILE 628 Cb 0.26 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 5r1r h ILE 628 CO -0.22 0.13 0.00 -1.20 -0.69 0.00 0.00 178.15 176.17 5r1r n SER 629 N -4.51 2.28 -3.64 1.72 7.64 -0.81 -4.68 113.62 111.64 5r1r n SER 629 Ca 0.14 -1.89 -0.23 0.00 1.01 0.00 0.00 58.87 57.90 5r1r n SER 629 Cb 0.34 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 5r1r n SER 629 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 5r1r n ASN 630 N 0.73 -5.54 -4.14 6.43 5.15 -0.60 -4.98 115.26 112.30 5r1r n ASN 630 Ca 0.16 -0.81 -0.15 0.00 -0.60 0.00 0.00 54.58 53.18 5r1r n ASN 630 Cb 0.40 -2.83 -0.11 0.00 -0.53 0.00 0.00 39.78 36.70 5r1r n ASN 630 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 5r1r s ALA 631 N -3.14 0.97 0.63 5.20 0.00 -0.52 -4.63 121.76 120.28 5r1r s ALA 631 Ca 0.15 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 5r1r s ALA 631 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 5r1r s ALA 631 CO 0.86 0.03 1.13 0.95 0.00 0.00 0.00 175.76 178.74 5r1r s THR 632 N -1.79 3.07 -0.06 0.00 -4.23 -1.26 -4.44 115.64 106.94 5r1r s THR 632 Ca -0.01 0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 60.77 5r1r s THR 632 Cb -0.07 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 5r1r s THR 632 CO 0.01 -0.26 0.94 0.20 -0.54 0.00 0.00 174.62 174.97 5r1r s ASN 633 N -2.25 7.24 0.00 3.99 0.02 -1.26 -1.17 114.94 121.51 5r1r s ASN 633 Ca 0.70 1.51 0.00 0.00 -1.02 0.00 0.00 52.86 54.05 5r1r s ASN 633 Cb -0.23 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.51 5r1r s ASN 633 CO 0.38 -0.31 0.00 0.61 0.02 0.00 0.00 177.10 177.80 5r1r n GLY 634 N 3.04 2.04 0.84 0.66 0.00 -1.26 -0.85 105.19 109.66 5r1r n GLY 634 Ca 0.06 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.44 5r1r n GLY 634 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 5r1r n ILE 635 N 0.00 0.27 -2.70 -0.61 -5.35 -1.26 -2.38 119.36 107.34 5r1r n ILE 635 Ca 0.00 -0.64 -0.41 0.00 -0.27 0.00 0.00 62.75 61.44 5r1r n ILE 635 Cb 0.00 1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 39.00 5r1r n ILE 635 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 5r1r s GLU 636 N -1.41 4.74 0.35 6.28 0.41 -0.03 -4.55 118.70 124.50 5r1r s GLU 636 Ca 0.26 1.52 -0.28 0.00 -0.41 0.00 0.00 54.97 56.06 5r1r s GLU 636 Cb 0.17 -3.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 5r1r s GLU 636 CO 0.24 0.30 1.43 -1.25 -0.49 0.00 0.00 175.26 175.49 5r1r s PRO 637 N -0.51 4.20 0.60 0.39 0.04 -1.26 -4.25 135.00 134.20 5r1r s PRO 637 Ca 0.45 2.45 -0.19 0.00 0.04 0.00 0.00 61.00 63.75 5r1r s PRO 637 Cb -0.25 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 5r1r s PRO 637 CO 0.32 -0.42 1.21 -1.25 0.04 0.00 0.00 177.00 176.90 5r1r s PRO 638 N -1.86 2.95 0.11 0.56 0.04 -1.26 -4.43 135.00 131.10 5r1r s PRO 638 Ca 0.52 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 5r1r s PRO 638 Cb -0.44 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 5r1r s PRO 638 CO 0.58 -1.23 1.45 -0.09 0.04 0.00 0.00 177.00 177.75 5r1r h ARG 639 N 0.85 0.78 -3.49 4.56 2.43 -1.95 0.24 114.38 117.80 5r1r h ARG 639 Ca -0.50 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 58.16 5r1r h ARG 639 Cb 1.30 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 5r1r h ARG 639 CO 0.55 1.03 0.05 0.20 -1.51 0.00 0.00 179.97 180.28 5r1r s GLY 640 N -3.70 0.75 0.35 2.80 0.00 -1.26 -4.31 107.32 101.95 5r1r s GLY 640 Ca -0.12 -1.00 0.14 0.00 0.00 0.00 0.00 44.72 43.74 5r1r s GLY 640 CO 0.84 -0.58 1.76 -0.97 0.00 0.00 0.00 173.10 174.16 5r1r h TYR 641 N 2.07 0.00 -3.12 1.90 0.05 -1.95 -3.42 116.97 112.51 5r1r h TYR 641 Ca -0.29 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.82 5r1r h TYR 641 Cb 1.25 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.64 5r1r h TYR 641 CO 1.19 0.43 -0.86 0.08 -1.05 0.00 0.00 178.16 177.94 5r1r s VAL 642 N -3.91 2.07 -0.03 -2.88 1.01 -1.26 -1.07 120.40 114.33 5r1r s VAL 642 Ca -0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 5r1r s VAL 642 Cb 0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 5r1r s VAL 642 CO 0.72 0.54 0.11 -0.94 0.00 0.00 0.00 175.10 175.53 5r1r s SER 643 N 1.09 5.93 -0.06 3.32 1.04 -0.53 -4.93 113.70 119.56 5r1r s SER 643 Ca 0.00 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.71 5r1r s SER 643 Cb -0.14 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 5r1r s SER 643 CO -0.08 0.29 -0.18 -0.63 0.98 0.00 0.00 173.24 173.62 5r1r s ILE 644 N -1.19 2.74 0.07 -1.02 1.01 -1.26 -1.86 121.20 119.69 5r1r s ILE 644 Ca 0.22 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.11 5r1r s ILE 644 Cb -0.12 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 5r1r s ILE 644 CO 0.13 0.57 -0.18 -0.75 0.00 0.00 0.00 174.94 174.71 5r1r s LYS 645 N -0.43 1.09 0.18 2.79 2.47 0.54 -4.99 119.74 121.39 5r1r s LYS 645 Ca 0.05 -0.99 -0.01 0.00 -1.56 0.00 0.00 55.97 53.46 5r1r s LYS 645 Cb -0.12 -1.22 -0.04 0.00 -1.46 0.00 0.00 37.83 34.99 5r1r s LYS 645 CO 0.02 0.29 0.36 0.00 0.16 0.00 0.00 175.35 176.18 5r1r s ALA 646 N -1.03 3.85 0.36 3.13 0.00 -1.26 -0.48 121.76 126.33 5r1r s ALA 646 Ca 0.04 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 5r1r s ALA 646 Cb -0.09 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.09 5r1r s ALA 646 CO 0.03 0.50 0.71 0.45 0.00 0.00 0.00 175.76 177.44 5r1r s SER 647 N -3.05 0.16 0.21 0.00 0.15 -1.14 -4.84 113.70 105.18 5r1r s SER 647 Ca 0.38 -1.15 0.19 0.00 0.70 0.00 0.00 55.95 56.07 5r1r s SER 647 Cb -0.11 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 5r1r s SER 647 CO 0.28 -1.56 1.13 0.11 1.20 0.00 0.00 173.24 174.40 5r1r h LYS 648 N 2.03 0.00 -0.32 5.44 6.56 -2.03 -3.28 116.57 124.97 5r1r h LYS 648 Ca -0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 5r1r h LYS 648 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 5r1r h LYS 648 CO 0.38 0.18 0.00 -0.25 -2.06 0.00 0.00 179.45 177.71 5r1r n ASP 649 N -2.91 1.91 0.00 0.86 8.00 -1.26 -5.03 116.55 118.12 5r1r n ASP 649 Ca -0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.55 5r1r n ASP 649 Cb 0.67 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 5r1r n ASP 649 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5r1r n GLY 650 N 1.10 -0.79 3.68 0.44 0.00 -1.24 -4.94 105.19 103.44 5r1r n GLY 650 Ca 0.13 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 5r1r n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5r1r s ILE 651 N -0.48 4.27 -0.29 -0.61 1.01 -1.26 -2.88 121.20 120.95 5r1r s ILE 651 Ca 0.00 1.58 -0.15 0.00 0.00 0.00 0.00 60.65 62.08 5r1r s ILE 651 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 5r1r s ILE 651 CO 0.00 -0.05 0.35 -0.76 0.00 0.00 0.00 174.94 174.48 5r1r s LEU 652 N 2.64 4.14 0.06 2.97 1.43 0.36 -4.86 118.68 125.43 5r1r s LEU 652 Ca 0.55 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 5r1r s LEU 652 Cb -0.24 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 5r1r s LEU 652 CO 0.19 -0.21 -0.01 -0.13 0.23 0.00 0.00 176.35 176.42 5r1r s ARG 653 N 2.03 2.60 -0.03 1.70 0.52 -1.26 -0.34 118.95 124.17 5r1r s ARG 653 Ca 0.13 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 5r1r s ARG 653 Cb -0.16 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.77 5r1r s ARG 653 CO 0.11 0.57 0.03 -1.14 0.02 0.00 0.00 175.30 174.88 5r1r s GLN 654 N -2.05 0.11 -0.10 3.54 0.74 -0.78 -4.60 119.66 116.53 5r1r s GLN 654 Ca 0.23 0.20 -0.15 0.00 0.05 0.00 0.00 55.36 55.70 5r1r s GLN 654 Cb -0.12 -0.46 -0.05 0.00 1.10 0.00 0.00 33.01 33.48 5r1r s GLN 654 CO 0.15 -0.22 0.36 0.08 -0.55 0.00 0.00 175.29 175.12 5r1r s VAL 655 N 1.46 5.21 0.35 1.34 1.01 -1.26 -1.46 120.40 127.05 5r1r s VAL 655 Ca -0.04 0.71 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 5r1r s VAL 655 Cb -0.13 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 5r1r s VAL 655 CO -0.03 0.44 0.99 1.33 0.00 0.00 0.00 175.10 177.83 5r1r n VAL 656 N 2.99 2.12 -1.57 2.92 0.24 -0.24 -4.81 118.33 119.99 5r1r n VAL 656 Ca -0.12 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.34 61.17 5r1r n VAL 656 Cb 0.52 -1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 31.80 5r1r n VAL 656 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 5r1r n PRO 657 N 0.51 0.97 -4.03 7.34 -0.02 -1.26 -2.67 135.00 135.85 5r1r n PRO 657 Ca 0.09 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 5r1r n PRO 657 Cb 0.35 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 5r1r n PRO 657 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 5r1r n ASP 658 N 2.14 -0.63 -0.19 2.55 2.03 -1.26 -4.86 116.55 116.34 5r1r n ASP 658 Ca 0.17 -1.03 -0.07 0.00 0.52 0.00 0.00 54.79 54.37 5r1r n ASP 658 Cb 0.20 -2.88 0.02 0.00 -0.72 0.00 0.00 41.12 37.75 5r1r n ASP 658 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 5r1r h TYR 659 N -1.79 0.76 -0.93 -0.67 3.20 -1.86 0.11 116.97 115.79 5r1r h TYR 659 Ca -0.63 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.32 5r1r h TYR 659 Cb 1.38 -0.24 -0.13 0.00 1.54 0.00 0.00 36.73 39.28 5r1r h TYR 659 CO 0.51 0.57 -0.48 -1.91 -1.64 0.00 0.00 178.16 175.21 5r1r n GLU 660 N -4.60 -0.33 0.05 1.82 2.13 -1.26 -1.41 120.64 117.03 5r1r n GLU 660 Ca 0.03 1.42 0.11 0.00 0.66 0.00 0.00 57.16 59.38 5r1r n GLU 660 Cb 0.10 -2.09 -0.02 0.00 0.27 0.00 0.00 31.44 29.69 5r1r n GLU 660 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 5r1r n HIS 661 N -5.25 0.48 -0.88 4.31 8.25 -0.96 -4.52 115.22 116.66 5r1r n HIS 661 Ca 0.05 0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.73 5r1r n HIS 661 Cb 0.29 -0.66 0.16 0.00 1.12 0.00 0.00 29.99 30.91 5r1r n HIS 661 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 5r1r n LEU 662 N -2.30 2.81 -0.20 2.41 4.77 0.35 -4.73 117.00 120.11 5r1r n LEU 662 Ca -0.00 -2.89 -0.04 0.00 -0.03 0.00 0.00 56.01 53.05 5r1r n LEU 662 Cb 0.51 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 5r1r n LEU 662 CO 0.41 0.68 1.08 1.12 -1.33 0.00 0.00 177.39 179.35 5r1r h HIS 663 N 0.66 0.63 0.00 -1.77 2.07 -1.43 -0.28 115.15 115.02 5r1r h HIS 663 Ca 0.00 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 5r1r h HIS 663 Cb 1.06 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.85 5r1r h HIS 663 CO 0.16 0.33 -0.06 -0.44 -3.07 0.00 0.00 177.93 174.85 5r1r h ASP 664 N 0.65 0.00 -0.04 3.10 3.32 -1.87 -3.17 116.42 118.41 5r1r h ASP 664 Ca 0.25 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.09 5r1r h ASP 664 Cb 0.09 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.64 5r1r h ASP 664 CO -0.13 0.06 -0.75 0.00 -1.72 0.00 0.00 179.24 176.70 5r1r h ALA 665 N 1.94 0.41 -3.03 3.45 0.00 -1.40 -3.45 119.26 117.17 5r1r h ALA 665 Ca -0.00 -0.60 -0.55 0.00 0.00 0.00 0.00 54.91 53.76 5r1r h ALA 665 Cb 0.72 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.62 5r1r h ALA 665 CO 0.01 0.71 0.54 0.71 0.00 0.00 0.00 179.25 181.22 5r1r s TYR 666 N -3.74 2.21 -0.36 0.00 2.02 -0.56 -4.73 117.35 112.19 5r1r s TYR 666 Ca -0.09 1.45 0.00 0.00 -0.37 0.00 0.00 57.07 58.06 5r1r s TYR 666 Cb 0.09 -3.70 0.10 0.00 -0.40 0.00 0.00 41.96 38.05 5r1r s TYR 666 CO 0.89 -2.80 0.09 -2.00 -1.57 0.00 0.00 175.55 170.16 5r1r s GLU 667 N -3.19 1.86 0.72 -0.62 2.12 -1.26 -5.04 118.70 113.29 5r1r s GLU 667 Ca 0.78 -1.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 5r1r s GLU 667 Cb -0.37 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.71 5r1r s GLU 667 CO 0.42 -0.93 1.19 -0.51 -0.54 0.00 0.00 175.26 174.88 5r1r s LEU 668 N 1.05 3.33 0.21 2.70 1.43 -1.26 -4.60 118.68 121.54 5r1r s LEU 668 Ca 0.07 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 5r1r s LEU 668 Cb -0.21 -4.58 0.21 0.00 0.03 0.00 0.00 46.19 41.64 5r1r s LEU 668 CO -0.05 -2.14 1.60 0.25 0.23 0.00 0.00 176.35 176.23 5r1r h LEU 669 N -0.24 -0.87 -0.43 1.79 5.85 -0.70 0.57 115.31 121.27 5r1r h LEU 669 Ca -0.47 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.46 5r1r h LEU 669 Cb 1.29 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.81 5r1r h LEU 669 CO 0.50 -0.26 0.00 0.79 -0.34 0.00 0.00 178.44 179.13 5r1r n TRP 670 N -5.45 0.12 0.28 1.25 7.02 -1.26 -2.83 117.44 116.56 5r1r n TRP 670 Ca 0.07 -0.06 0.12 0.00 -1.02 0.00 0.00 57.50 56.61 5r1r n TRP 670 Cb 0.36 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.34 5r1r n TRP 670 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 5r1r h GLU 671 N 0.77 0.00 -6.57 -0.99 5.08 -1.23 -3.45 114.58 108.20 5r1r h GLU 671 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 5r1r h GLU 671 Cb 0.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.44 5r1r h GLU 671 CO 0.00 0.00 0.65 -1.64 -1.00 0.00 0.00 179.01 177.02 5r1r s MET 672 N -3.27 4.38 0.45 2.33 -1.94 -1.13 -4.87 119.30 115.24 5r1r s MET 672 Ca 0.03 1.98 0.31 0.00 -1.71 0.00 0.00 55.69 56.30 5r1r s MET 672 Cb 0.10 -3.26 1.35 0.00 2.01 0.00 0.00 34.83 35.02 5r1r s MET 672 CO 0.74 -0.32 1.91 -1.35 -0.01 0.00 0.00 175.02 175.99 5r1r h PRO 673 N 6.38 0.00 0.00 2.03 0.11 -1.91 -3.47 132.00 135.14 5r1r h PRO 673 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 5r1r h PRO 673 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 5r1r h PRO 673 CO 0.82 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 5r1r n GLY 674 N -0.19 0.63 0.05 -0.55 0.00 -1.26 -5.06 105.19 98.81 5r1r n GLY 674 Ca 0.01 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.38 5r1r n GLY 674 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5r1r n ASN 675 N -0.06 0.96 0.11 1.61 3.02 -1.26 -4.61 115.26 115.03 5r1r n ASN 675 Ca 0.00 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 5r1r n ASN 675 Cb 0.00 0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 5r1r n ASN 675 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 5r1r h ASP 676 N 0.26 -0.74 -0.42 6.41 3.32 -1.96 -0.86 116.42 122.43 5r1r h ASP 676 Ca 0.00 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.18 5r1r h ASP 676 Cb 0.52 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 5r1r h ASP 676 CO 0.00 -0.35 -0.34 1.23 -1.72 0.00 0.00 179.24 178.06 5r1r h GLY 677 N -0.46 -1.50 0.64 2.75 0.00 -1.77 0.77 103.07 103.50 5r1r h GLY 677 Ca 0.03 0.86 0.01 0.00 0.00 0.00 0.00 47.33 48.23 5r1r h GLY 677 CO -0.15 -0.38 -0.28 -1.82 0.00 0.00 0.00 176.54 173.91 5r1r h TYR 678 N -0.12 -0.74 -0.82 5.60 5.03 -1.52 -1.39 116.97 123.00 5r1r h TYR 678 Ca 0.07 0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.55 5r1r h TYR 678 Cb 0.30 0.30 -0.10 0.00 1.55 0.00 0.00 36.73 38.77 5r1r h TYR 678 CO -0.83 -0.39 0.35 -0.07 -1.32 0.00 0.00 178.16 175.89 5r1r h LEU 679 N -0.55 0.33 -0.31 2.82 3.38 -0.67 0.23 115.31 120.54 5r1r h LEU 679 Ca 0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.16 5r1r h LEU 679 Cb 0.53 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 5r1r h LEU 679 CO -0.09 0.09 -0.11 1.56 0.09 0.00 0.00 178.44 179.98 5r1r h GLN 680 N 0.46 -0.05 -0.78 1.13 4.20 -0.05 0.26 115.11 120.27 5r1r h GLN 680 Ca 0.47 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.24 5r1r h GLN 680 Cb 0.76 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 5r1r h GLN 680 CO -0.44 -0.03 0.47 -0.07 -0.67 0.00 0.00 178.83 178.08 5r1r h LEU 681 N -0.05 0.72 -0.55 1.46 3.38 0.40 -0.03 115.31 120.63 5r1r h LEU 681 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 5r1r h LEU 681 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 5r1r h LEU 681 CO -0.35 0.45 0.31 0.58 0.09 0.00 0.00 178.44 179.53 5r1r h VAL 682 N 0.85 1.18 -0.64 1.22 2.07 0.06 -0.97 116.25 120.02 5r1r h VAL 682 Ca 0.35 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.48 5r1r h VAL 682 Cb 0.19 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 5r1r h VAL 682 CO -0.18 0.19 0.37 1.23 0.02 0.00 0.00 177.57 179.19 5r1r h GLY 683 N 0.74 0.93 0.95 2.17 0.00 0.43 0.18 103.07 108.47 5r1r h GLY 683 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 5r1r h GLY 683 CO -0.03 0.18 0.02 -2.22 0.00 0.00 0.00 176.54 174.49 5r1r h ILE 684 N 0.69 1.05 -0.93 2.60 2.04 -0.70 -2.34 117.51 119.93 5r1r h ILE 684 Ca 0.28 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.07 5r1r h ILE 684 Cb 0.13 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 5r1r h ILE 684 CO -0.16 0.04 0.58 0.24 0.00 0.00 0.00 178.15 178.86 5r1r h MET 685 N -0.01 0.99 0.00 2.37 2.86 -0.70 -0.05 114.93 120.40 5r1r h MET 685 Ca 0.01 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 5r1r h MET 685 Cb 0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 5r1r h MET 685 CO -0.00 0.66 -0.01 0.37 1.06 0.00 0.00 176.91 178.98 5r1r h GLN 686 N 1.02 0.00 -0.37 1.72 5.75 -0.13 -2.22 115.11 120.89 5r1r h GLN 686 Ca 0.42 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.99 5r1r h GLN 686 Cb 0.25 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.72 5r1r h GLN 686 CO -0.20 0.01 -0.12 -0.22 -2.65 0.00 0.00 178.83 175.66 5r1r h LYS 687 N 0.00 -0.04 0.00 1.69 3.64 -0.59 -3.07 116.57 118.20 5r1r h LYS 687 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 5r1r h LYS 687 Cb 0.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 5r1r h LYS 687 CO 0.00 -0.02 -1.25 1.19 -2.27 0.00 0.00 179.45 177.10 5r1r n PHE 688 N -5.31 0.67 -2.61 1.91 3.72 -0.88 -4.42 117.46 110.53 5r1r n PHE 688 Ca 0.02 0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 5r1r n PHE 688 Cb 0.23 -0.80 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 5r1r n PHE 688 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 5r1r s ILE 689 N -3.39 4.43 0.19 4.37 -1.09 -0.92 -4.81 121.20 119.97 5r1r s ILE 689 Ca -0.02 1.84 -0.13 0.00 -2.23 0.00 0.00 60.65 60.11 5r1r s ILE 689 Cb 0.11 -4.18 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 5r1r s ILE 689 CO 0.82 0.19 1.85 0.44 -1.23 0.00 0.00 174.94 177.01 5r1r h ASP 690 N 6.32 0.70 0.00 3.58 3.32 -1.89 -3.44 116.42 125.01 5r1r h ASP 690 Ca -0.42 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 5r1r h ASP 690 Cb 1.22 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.59 5r1r h ASP 690 CO 0.76 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.80 5r1r n GLN 691 N -4.65 0.00 -2.47 3.56 6.02 -0.77 -4.38 117.38 114.68 5r1r n GLN 691 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.98 5r1r n GLN 691 Cb 0.03 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.27 5r1r n GLN 691 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 5r1r n SER 692 N 0.00 1.22 -3.90 1.08 2.88 -0.40 -4.91 113.62 109.59 5r1r n SER 692 Ca 0.00 -1.42 -0.17 0.00 -1.33 0.00 0.00 58.87 55.95 5r1r n SER 692 Cb 0.00 0.18 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 5r1r n SER 692 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 5r1r s ILE 693 N -1.75 0.36 -1.06 2.46 1.01 -1.26 -1.66 121.20 119.30 5r1r s ILE 693 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 5r1r s ILE 693 Cb 0.00 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 5r1r s ILE 693 CO 0.02 0.14 1.90 -0.44 0.00 0.00 0.00 174.94 176.56 5r1r s SER 694 N 0.44 5.29 -0.11 3.58 0.01 -0.14 -4.65 113.70 118.12 5r1r s SER 694 Ca -0.05 -1.27 -0.08 0.00 1.31 0.00 0.00 55.95 55.86 5r1r s SER 694 Cb -0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 5r1r s SER 694 CO -0.00 -2.72 0.18 0.00 0.41 0.00 0.00 173.24 171.11 5r1r s ALA 695 N 9.80 3.85 0.12 1.44 0.00 -1.26 -4.86 121.76 130.85 5r1r s ALA 695 Ca 0.67 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.08 5r1r s ALA 695 Cb -0.03 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 5r1r s ALA 695 CO 0.05 0.58 0.16 -0.80 0.00 0.00 0.00 175.76 175.75 5r1r s ASN 696 N -0.97 5.80 -0.06 0.00 0.02 -1.26 0.12 114.94 118.59 5r1r s ASN 696 Ca 0.16 0.02 0.02 0.00 -1.02 0.00 0.00 52.86 52.04 5r1r s ASN 696 Cb -0.13 -1.62 -0.03 0.00 0.02 0.00 0.00 41.25 39.50 5r1r s ASN 696 CO 0.05 0.11 -0.09 0.42 0.02 0.00 0.00 177.10 177.61 5r1r s THR 697 N -1.61 3.51 -0.04 1.60 -4.23 -0.34 -4.95 115.64 109.59 5r1r s THR 697 Ca 0.32 -0.58 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 5r1r s THR 697 Cb -0.11 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 5r1r s THR 697 CO 0.25 0.58 -0.13 0.20 -0.54 0.00 0.00 174.62 174.98 5r1r s ASN 698 N -0.84 1.69 -0.01 3.99 -0.87 -1.26 -1.09 114.94 116.56 5r1r s ASN 698 Ca 0.12 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 51.18 5r1r s ASN 698 Cb -0.11 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.25 40.60 5r1r s ASN 698 CO 0.02 0.10 -0.12 -0.31 -2.57 0.00 0.00 177.10 174.22 5r1r s TYR 699 N 0.20 1.05 -0.21 2.20 2.02 0.23 -4.70 117.35 118.14 5r1r s TYR 699 Ca -0.05 -0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 5r1r s TYR 699 Cb -0.11 -0.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 5r1r s TYR 699 CO 0.02 -0.02 -0.13 0.34 -1.57 0.00 0.00 175.55 174.19 5r1r s ASP 700 N -0.33 3.74 0.32 2.29 -1.08 -1.26 -2.27 116.67 118.09 5r1r s ASP 700 Ca 0.04 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 5r1r s ASP 700 Cb -0.05 -1.57 0.52 0.00 -1.46 0.00 0.00 42.92 40.36 5r1r s ASP 700 CO -0.00 -0.05 1.94 -0.65 0.52 0.00 0.00 175.17 176.92 5r1r h PRO 701 N 7.97 0.86 -1.05 4.34 0.11 -1.87 -1.67 132.00 140.70 5r1r h PRO 701 Ca -0.39 -0.10 0.27 0.00 0.11 0.00 0.00 66.00 65.89 5r1r h PRO 701 Cb 1.13 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 31.96 5r1r h PRO 701 CO 0.60 0.65 0.66 0.77 -0.21 0.00 0.00 178.00 180.46 5r1r h SER 702 N 0.87 0.50 0.28 -2.05 0.02 -1.93 0.26 113.55 111.50 5r1r h SER 702 Ca 0.22 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 5r1r h SER 702 Cb 0.04 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.61 5r1r h SER 702 CO -0.03 0.06 0.00 0.54 -1.14 0.00 0.00 176.83 176.26 5r1r n ARG 703 N -4.72 0.35 -4.96 3.45 1.74 -0.63 -4.80 116.66 107.09 5r1r n ARG 703 Ca 0.27 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 57.12 5r1r n ARG 703 Cb 0.88 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.68 5r1r n ARG 703 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 5r1r s PHE 704 N -2.44 2.38 0.12 -1.55 0.40 0.92 -5.08 117.98 112.74 5r1r s PHE 704 Ca 0.21 -0.38 -0.33 0.00 -0.60 0.00 0.00 56.93 55.83 5r1r s PHE 704 Cb 0.13 -1.44 -0.13 0.00 0.51 0.00 0.00 43.02 42.09 5r1r s PHE 704 CO 0.28 0.11 1.71 -0.35 0.70 0.00 0.00 175.22 177.67 5r1r n PRO 705 N 1.92 2.41 -1.23 0.24 -0.04 -1.26 -0.60 135.00 136.43 5r1r n PRO 705 Ca -0.17 0.87 -0.08 0.00 -0.04 0.00 0.00 63.50 64.09 5r1r n PRO 705 Cb 0.52 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 5r1r n PRO 705 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 5r1r n SER 706 N 4.49 -4.49 -2.25 3.54 7.64 -1.26 -3.02 113.62 118.27 5r1r n SER 706 Ca 0.18 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.08 5r1r n SER 706 Cb 0.32 -2.70 -0.02 0.00 -1.01 0.00 0.00 64.21 60.80 5r1r n SER 706 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5r1r n GLY 707 N -1.31 -0.10 3.13 0.23 0.00 0.23 -4.98 105.19 102.38 5r1r n GLY 707 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 5r1r n GLY 707 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5r1r s LYS 708 N -4.76 2.51 -0.08 1.61 -2.85 -1.17 -4.79 119.74 110.21 5r1r s LYS 708 Ca 0.00 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 53.99 5r1r s LYS 708 Cb 0.00 -2.00 -0.02 0.00 -2.06 0.00 0.00 37.83 33.75 5r1r s LYS 708 CO 0.00 0.06 1.16 0.08 0.10 0.00 0.00 175.35 176.74 5r1r s VAL 709 N 0.64 4.39 0.33 1.79 1.01 -1.26 -4.59 120.40 122.70 5r1r s VAL 709 Ca -0.13 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 5r1r s VAL 709 Cb -0.16 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 5r1r s VAL 709 CO 0.04 -0.02 1.28 -2.16 0.00 0.00 0.00 175.10 174.24 5r1r s PRO 710 N 2.30 4.37 0.48 2.72 0.04 -1.26 -4.91 135.00 138.74 5r1r s PRO 710 Ca 0.54 2.16 0.16 0.00 0.04 0.00 0.00 61.00 63.89 5r1r s PRO 710 Cb -0.23 -3.07 1.13 0.00 0.04 0.00 0.00 34.50 32.37 5r1r s PRO 710 CO 0.20 -0.15 2.05 1.98 0.04 0.00 0.00 177.00 181.11 5r1r h MET 711 N 3.39 0.00 -0.04 4.56 1.85 -1.99 -1.41 114.93 121.29 5r1r h MET 711 Ca -0.49 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 58.63 5r1r h MET 711 Cb 1.23 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.23 5r1r h MET 711 CO 0.65 0.12 -0.10 0.37 -0.40 0.00 0.00 176.91 177.56 5r1r h GLN 712 N 0.00 -0.15 -0.54 0.39 5.75 -1.99 -0.55 115.11 118.02 5r1r h GLN 712 Ca -0.00 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 5r1r h GLN 712 Cb 0.23 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 5r1r h GLN 712 CO 0.02 -0.10 0.33 0.37 -2.65 0.00 0.00 178.83 176.80 5r1r h GLN 713 N -0.15 0.73 -0.65 1.69 5.75 -1.66 0.26 115.11 121.07 5r1r h GLN 713 Ca 0.05 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 5r1r h GLN 713 Cb 0.22 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 5r1r h GLN 713 CO -0.13 0.52 0.37 -0.07 -2.65 0.00 0.00 178.83 176.87 5r1r h LEU 714 N 0.73 0.55 -0.36 -2.39 3.38 -1.20 0.15 115.31 116.16 5r1r h LEU 714 Ca 0.19 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 5r1r h LEU 714 Cb -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 5r1r h LEU 714 CO -0.04 0.36 -0.64 -0.07 0.09 0.00 0.00 178.44 178.14 5r1r h LEU 715 N 0.68 0.76 -0.45 1.67 3.38 -0.49 -2.00 115.31 118.86 5r1r h LEU 715 Ca 0.29 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 5r1r h LEU 715 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 5r1r h LEU 715 CO -0.17 1.20 0.27 0.50 0.09 0.00 0.00 178.44 180.33 5r1r h LYS 716 N 0.49 0.62 -0.64 1.13 1.63 0.10 0.21 116.57 120.11 5r1r h LYS 716 Ca -0.01 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 5r1r h LYS 716 Cb 1.22 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 5r1r h LYS 716 CO 0.13 0.47 0.16 -0.44 -3.45 0.00 0.00 179.45 176.31 5r1r h ASP 717 N 0.60 0.95 0.01 4.20 3.32 -0.94 0.16 116.42 124.72 5r1r h ASP 717 Ca 0.16 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.04 5r1r h ASP 717 Cb 0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 5r1r h ASP 717 CO -0.03 0.91 -0.07 0.25 -1.72 0.00 0.00 179.24 178.58 5r1r h LEU 718 N 0.96 -0.21 -0.50 1.55 5.85 -0.57 0.31 115.31 122.71 5r1r h LEU 718 Ca 0.20 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 5r1r h LEU 718 Cb 0.34 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 5r1r h LEU 718 CO 0.00 -0.11 0.02 -0.07 -0.34 0.00 0.00 178.44 177.94 5r1r h LEU 719 N -0.13 0.84 -0.53 2.25 3.38 -0.26 -1.56 115.31 119.30 5r1r h LEU 719 Ca 0.03 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.81 5r1r h LEU 719 Cb 0.16 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 5r1r h LEU 719 CO -0.07 0.93 -0.16 0.74 0.09 0.00 0.00 178.44 179.97 5r1r h THR 720 N 0.73 0.42 -0.20 0.22 2.02 -0.49 0.57 112.91 116.16 5r1r h THR 720 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 5r1r h THR 720 Cb 0.49 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 5r1r h THR 720 CO 0.02 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.75 5r1r h ALA 721 N 1.44 -0.03 -0.54 6.16 0.00 -0.48 -2.23 119.26 123.57 5r1r h ALA 721 Ca 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 5r1r h ALA 721 Cb 0.42 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 5r1r h ALA 721 CO -0.57 -0.59 0.19 -0.92 0.00 0.00 0.00 179.25 177.36 5r1r h TYR 722 N -0.17 0.86 -0.79 0.00 5.03 -0.13 -1.13 116.97 120.63 5r1r h TYR 722 Ca 0.12 -0.08 0.10 0.00 2.58 0.00 0.00 58.73 61.45 5r1r h TYR 722 Cb 0.35 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.33 5r1r h TYR 722 CO -0.31 0.72 0.52 -0.22 -1.32 0.00 0.00 178.16 177.54 5r1r h LYS 723 N 0.75 0.68 -0.88 1.82 3.64 0.54 -1.65 116.57 121.47 5r1r h LYS 723 Ca 0.18 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.23 5r1r h LYS 723 Cb 0.25 -0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 31.75 5r1r h LYS 723 CO -0.01 0.45 0.36 1.19 -2.27 0.00 0.00 179.45 179.17 5r1r n PHE 724 N -4.51 2.28 -1.34 1.91 3.72 -0.88 -4.64 117.46 113.99 5r1r n PHE 724 Ca 0.13 -1.27 -0.12 0.00 -0.05 0.00 0.00 57.45 56.14 5r1r n PHE 724 Cb 0.34 -0.70 -0.05 0.00 -0.94 0.00 0.00 39.48 38.13 5r1r n PHE 724 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5r1r n GLY 725 N -0.39 1.29 3.70 1.37 0.00 -0.62 -4.48 105.19 106.06 5r1r n GLY 725 Ca 0.41 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 5r1r n GLY 725 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5r1r s VAL 726 N -2.42 2.73 -0.02 1.61 1.01 -0.45 -4.92 120.40 117.95 5r1r s VAL 726 Ca 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 5r1r s VAL 726 Cb 0.00 -3.20 -0.22 0.00 0.00 0.00 0.00 36.38 32.95 5r1r s VAL 726 CO 0.00 0.01 1.09 0.11 0.00 0.00 0.00 175.10 176.31 5r1r h LYS 727 N 7.99 0.29 -5.13 2.72 1.57 -1.89 -3.43 116.57 118.69 5r1r h LYS 727 Ca -0.44 -0.28 -0.41 0.00 -1.87 0.00 0.00 60.65 57.65 5r1r h LYS 727 Cb 1.21 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.45 5r1r h LYS 727 CO 0.93 0.97 -0.64 0.95 -0.57 0.00 0.00 179.45 181.10 5r1r s THR 728 N -3.30 1.05 -0.05 -0.16 -4.23 -1.26 0.10 115.64 107.79 5r1r s THR 728 Ca -0.15 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.32 5r1r s THR 728 Cb 0.02 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.35 5r1r s THR 728 CO 0.77 -0.17 0.06 -0.76 -0.54 0.00 0.00 174.62 173.99 5r1r s LEU 729 N -3.38 0.18 0.00 4.79 1.43 -0.70 -4.47 118.68 116.54 5r1r s LEU 729 Ca 0.33 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 5r1r s LEU 729 Cb 0.07 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.12 5r1r s LEU 729 CO 0.12 -0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.45 5r1r n TYR 730 N 5.29 0.00 -1.29 0.29 9.36 0.33 -1.94 117.16 129.19 5r1r n TYR 730 Ca -0.03 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.82 5r1r n TYR 730 Cb 0.50 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.26 5r1r n TYR 730 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 5r1r n TYR 731 N 0.00 -1.36 -4.16 2.98 4.01 -1.26 -4.72 117.16 112.65 5r1r n TYR 731 Ca 0.00 0.36 -0.33 0.00 -0.16 0.00 0.00 57.90 57.77 5r1r n TYR 731 Cb 0.00 -1.86 -0.16 0.00 -0.31 0.00 0.00 39.34 37.01 5r1r n TYR 731 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 5r1r s GLN 732 N -2.28 3.09 -0.12 -0.72 0.74 -1.08 -1.19 119.66 118.09 5r1r s GLN 732 Ca 0.63 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 5r1r s GLN 732 Cb -0.38 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 5r1r s GLN 732 CO 0.60 -0.17 0.06 -0.80 -0.55 0.00 0.00 175.29 174.43 5r1r s ASN 733 N 1.25 5.72 -0.05 6.67 0.01 -0.25 -4.55 114.94 123.75 5r1r s ASN 733 Ca 0.03 0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 5r1r s ASN 733 Cb -0.14 -1.79 -0.00 0.00 0.41 0.00 0.00 41.25 39.73 5r1r s ASN 733 CO -0.09 0.34 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.79 5r1r s THR 734 N -0.66 1.36 -4.80 1.60 2.01 -1.26 -0.60 115.64 113.29 5r1r s THR 734 Ca 0.12 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.45 5r1r s THR 734 Cb -0.12 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.22 5r1r s THR 734 CO 0.02 0.39 0.00 0.54 -0.69 0.00 0.00 174.62 174.89 5r1r n ARG 735 N 3.25 0.00 0.00 4.92 1.74 -0.96 -5.00 116.66 120.61 5r1r n ARG 735 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 5r1r n ARG 735 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 5r1r n ARG 735 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 5r1r n ASP 736 N 2.88 0.72 -2.70 0.55 5.68 -1.26 -4.18 116.55 118.25 5r1r n ASP 736 Ca 0.00 -1.32 -0.05 0.00 -0.50 0.00 0.00 54.79 52.93 5r1r n ASP 736 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 5r1r n ASP 736 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5r1r n GLY 737 N -0.16 -1.23 0.00 6.12 0.00 -1.26 -4.92 105.19 103.75 5r1r n GLY 737 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 5r1r n GLY 737 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32