#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c5r s VAL 17 N 0.00 3.05 -1.29 1.39 1.01 -0.04 -3.87 120.40 120.65 1c5r s VAL 17 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1c5r s VAL 17 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1c5r s VAL 17 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1c5r n GLY 18 N 2.81 0.12 0.00 4.51 0.00 -1.25 -1.69 105.19 109.69 1c5r n GLY 18 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1c5r n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c5r n GLY 19 N -1.05 3.41 3.26 -0.02 0.00 -1.26 -4.82 105.19 104.70 1c5r n GLY 19 Ca -0.17 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 1c5r n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c5r s TYR 20 N 1.15 1.35 0.04 1.61 -0.85 0.94 -4.90 117.35 116.69 1c5r s TYR 20 Ca 0.00 -1.27 -0.30 0.00 -0.52 0.00 0.00 57.07 54.97 1c5r s TYR 20 Cb 0.00 -0.74 -0.05 0.00 0.38 0.00 0.00 41.96 41.55 1c5r s TYR 20 CO 0.00 -0.48 1.21 0.99 -1.52 0.00 0.00 175.55 175.75 1c5r s THR 21 N -3.95 4.05 0.04 -3.49 2.01 -1.26 0.07 115.64 113.11 1c5r s THR 21 Ca 0.38 1.46 -0.22 0.00 0.31 0.00 0.00 61.69 63.62 1c5r s THR 21 Cb 0.07 -3.93 -0.15 0.00 0.01 0.00 0.00 72.50 68.50 1c5r s THR 21 CO 0.13 0.08 1.40 0.00 -0.69 0.00 0.00 174.62 175.54 1c5r n GLY 23 N -0.05 3.30 3.67 0.00 0.00 -1.26 -4.82 105.19 106.03 1c5r n GLY 23 Ca -0.06 -1.60 -0.47 0.00 0.00 0.00 0.00 46.02 43.88 1c5r n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c5r n ALA 24 N 0.03 1.03 -3.88 4.61 0.00 -1.26 -2.82 120.51 118.22 1c5r n ALA 24 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 1c5r n ALA 24 Cb 0.00 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 17.07 1c5r n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1c5r n ASN 25 N 4.85 -4.39 0.01 0.00 3.02 -1.26 -4.89 115.26 112.61 1c5r n ASN 25 Ca 0.20 -0.78 0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1c5r n ASN 25 Cb 0.28 -3.95 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 1c5r n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1c5r n THR 26 N -4.65 0.10 -3.41 3.41 -2.24 -1.13 -4.37 114.28 101.99 1c5r n THR 26 Ca -0.01 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.29 1c5r n THR 26 Cb 0.55 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1c5r n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1c5r n VAL 27 N -1.87 2.50 0.27 2.28 0.31 -1.26 -4.94 118.33 115.61 1c5r n VAL 27 Ca 0.02 -5.26 0.11 0.00 -0.01 0.00 0.00 64.34 59.20 1c5r n VAL 27 Cb 0.43 -2.10 0.52 0.00 -0.91 0.00 0.00 33.84 31.78 1c5r n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1c5r n PRO 28 N 0.87 0.16 0.00 5.55 -0.04 -1.26 -1.21 135.00 139.07 1c5r n PRO 28 Ca 0.30 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.42 1c5r n PRO 28 Cb 0.41 -1.90 0.35 0.00 -0.04 0.00 0.00 33.50 32.31 1c5r n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1c5r n TYR 29 N -2.22 0.00 -2.65 0.54 0.18 -1.18 -2.00 117.16 109.83 1c5r n TYR 29 Ca 0.00 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 1c5r n TYR 29 Cb 0.13 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.00 1c5r n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1c5r s GLN 30 N -2.19 4.75 0.17 -3.48 2.00 -0.35 -1.34 119.66 119.22 1c5r s GLN 30 Ca 0.30 1.59 0.09 0.00 -2.00 0.00 0.00 55.36 55.34 1c5r s GLN 30 Cb 0.20 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 1c5r s GLN 30 CO 0.41 0.34 -0.20 0.08 -0.50 0.00 0.00 175.29 175.41 1c5r s VAL 31 N -0.83 2.00 -0.09 1.34 1.01 -0.48 -4.50 120.40 118.85 1c5r s VAL 31 Ca 0.44 -1.94 0.03 0.00 0.00 0.00 0.00 61.98 60.52 1c5r s VAL 31 Cb -0.27 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1c5r s VAL 31 CO 0.34 -0.23 -0.20 -0.55 0.00 0.00 0.00 175.10 174.46 1c5r s SER 32 N -2.63 2.67 -0.16 3.32 0.15 -0.88 -1.86 113.70 114.31 1c5r s SER 32 Ca 0.17 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.23 1c5r s SER 32 Cb -0.07 -1.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1c5r s SER 32 CO 0.08 0.11 0.20 -0.76 1.20 0.00 0.00 173.24 174.06 1c5r s LEU 33 N 0.53 4.28 -0.05 3.45 1.43 0.29 -1.30 118.68 127.31 1c5r s LEU 33 Ca -0.16 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1c5r s LEU 33 Cb -0.17 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1c5r s LEU 33 CO 0.06 0.22 -0.11 0.21 0.23 0.00 0.00 176.35 176.96 1c5r s ASN 34 N -0.02 1.55 -0.35 2.29 3.84 -0.18 -1.78 114.94 120.30 1c5r s ASN 34 Ca 0.13 -0.25 0.12 0.00 0.21 0.00 0.00 52.86 53.07 1c5r s ASN 34 Cb -0.12 -0.58 0.45 0.00 -0.55 0.00 0.00 41.25 40.45 1c5r s ASN 34 CO 0.02 0.05 1.08 -1.54 -2.79 0.00 0.00 177.10 173.92 1c5r n SER 37 N 3.57 3.34 0.00 -4.21 3.41 -1.26 -1.43 113.62 117.03 1c5r n SER 37 Ca -0.21 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 1c5r n SER 37 Cb 0.53 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1c5r n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c5r n GLY 38 N -0.43 0.74 3.55 5.00 0.00 -1.26 -5.00 105.19 107.80 1c5r n GLY 38 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 1c5r n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c5r s TYR 39 N -2.07 -0.31 0.01 1.61 1.13 -1.26 -5.14 117.35 111.32 1c5r s TYR 39 Ca 0.00 0.14 -0.30 0.00 -1.41 0.00 0.00 57.07 55.49 1c5r s TYR 39 Cb 0.00 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 1c5r s TYR 39 CO 0.00 -0.63 1.17 -1.58 -2.51 0.00 0.00 175.55 172.00 1c5r s HIS 40 N -3.21 3.38 0.00 -3.49 5.65 -1.26 -4.20 115.29 112.16 1c5r s HIS 40 Ca 0.06 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.70 1c5r s HIS 40 Cb -0.01 -3.38 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 1c5r s HIS 40 CO -0.07 -1.11 0.00 1.97 -0.65 0.00 0.00 174.74 174.88 1c5r n PHE 41 N 4.40 0.00 -3.87 3.88 1.16 -0.73 -4.98 117.46 117.32 1c5r n PHE 41 Ca 0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.58 1c5r n PHE 41 Cb 0.47 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.28 1c5r n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1c5r s GLY 43 N -2.93 1.98 0.22 0.00 0.00 0.03 -0.55 107.32 106.07 1c5r s GLY 43 Ca 0.14 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 1c5r s GLY 43 CO -0.01 -1.71 0.94 -0.32 0.00 0.00 0.00 173.10 172.00 1c5r s GLY 44 N -4.44 0.02 -0.02 0.20 0.00 -0.78 -3.55 107.32 98.76 1c5r s GLY 44 Ca 0.52 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.04 1c5r s GLY 44 CO 0.32 0.85 -0.16 -0.56 0.00 0.00 0.00 173.10 173.55 1c5r s SER 45 N -3.14 1.96 -0.17 1.64 0.01 -0.57 -1.38 113.70 112.05 1c5r s SER 45 Ca 0.16 -0.31 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 1c5r s SER 45 Cb -0.03 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1c5r s SER 45 CO 0.06 0.19 0.67 -0.22 0.41 0.00 0.00 173.24 174.35 1c5r s LEU 46 N -0.28 4.17 -0.01 2.44 2.96 -0.45 -1.33 118.68 126.18 1c5r s LEU 46 Ca 0.04 0.94 0.15 0.00 -0.22 0.00 0.00 54.13 55.04 1c5r s LEU 46 Cb -0.07 -2.98 -0.20 0.00 0.50 0.00 0.00 46.19 43.44 1c5r s LEU 46 CO -0.00 -0.27 0.46 2.30 -1.32 0.00 0.00 176.35 177.51 1c5r n ILE 47 N 4.56 0.00 -3.64 6.68 -5.35 -0.44 -1.09 119.36 120.08 1c5r n ILE 47 Ca -0.00 -0.26 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 1c5r n ILE 47 Cb 0.50 0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 38.91 1c5r n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1c5r s ASN 48 N -3.15 -0.14 0.53 7.28 6.03 -1.21 -4.50 114.94 119.77 1c5r s ASN 48 Ca -0.01 -0.18 0.38 0.00 -1.03 0.00 0.00 52.86 52.03 1c5r s ASN 48 Cb 0.10 0.28 1.56 0.00 -3.03 0.00 0.00 41.25 40.16 1c5r s ASN 48 CO 0.62 -0.51 1.73 0.77 -2.03 0.00 0.00 177.10 177.67 1c5r h SER 49 N 2.00 0.06 -0.01 3.54 4.64 -1.96 -2.68 113.55 119.14 1c5r h SER 49 Ca -0.24 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1c5r h SER 49 Cb 1.21 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1c5r h SER 49 CO 0.27 -0.01 -0.13 0.00 -0.87 0.00 0.00 176.83 176.09 1c5r n GLN 50 N -4.19 1.47 -4.24 4.77 6.02 -1.26 -0.35 117.38 119.59 1c5r n GLN 50 Ca 0.32 -0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 56.32 1c5r n GLN 50 Cb 1.44 -1.13 -0.14 0.00 1.02 0.00 0.00 30.24 31.43 1c5r n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1c5r s TRP 51 N -1.20 0.75 0.04 1.08 0.52 -1.01 -0.69 118.94 118.43 1c5r s TRP 51 Ca 0.10 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 56.05 1c5r s TRP 51 Cb 0.09 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.92 1c5r s TRP 51 CO 0.21 -0.02 -0.19 0.08 0.02 0.00 0.00 176.95 177.05 1c5r s VAL 52 N -0.51 1.53 0.01 4.03 1.01 -0.17 -1.33 120.40 124.97 1c5r s VAL 52 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1c5r s VAL 52 Cb -0.05 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1c5r s VAL 52 CO 0.00 0.17 -0.16 0.54 0.00 0.00 0.00 175.10 175.65 1c5r s VAL 53 N -0.79 2.92 0.00 2.92 0.11 -0.44 -0.64 120.40 124.48 1c5r s VAL 53 Ca 0.06 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 1c5r s VAL 53 Cb -0.08 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.56 1c5r s VAL 53 CO 0.02 0.42 0.00 -0.24 -3.33 0.00 0.00 175.10 171.96 1c5r n SER 54 N 1.78 0.00 -4.87 3.54 2.88 -0.25 -1.52 113.62 115.18 1c5r n SER 54 Ca -0.16 -0.34 -0.37 0.00 -1.33 0.00 0.00 58.87 56.67 1c5r n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1c5r n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c5r s ALA 55 N -1.40 3.81 0.44 -1.46 0.00 -1.26 -1.26 121.76 120.64 1c5r s ALA 55 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 51.96 51.58 1c5r s ALA 55 Cb 0.00 -2.13 1.00 0.00 0.00 0.00 0.00 23.12 21.99 1c5r s ALA 55 CO 0.00 0.58 2.07 0.00 0.00 0.00 0.00 175.76 178.42 1c5r h ALA 56 N 4.61 1.84 0.00 0.00 0.00 -1.68 -1.02 119.26 123.00 1c5r h ALA 56 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1c5r h ALA 56 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1c5r h ALA 56 CO 0.61 0.13 0.00 -2.39 0.00 0.00 0.00 179.25 177.60 1c5r n HIS 57 N -4.49 0.00 0.92 0.00 1.44 -1.26 -0.87 115.22 110.96 1c5r n HIS 57 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 1c5r n HIS 57 Cb 0.12 -0.29 0.26 0.00 0.12 0.00 0.00 29.99 30.19 1c5r n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1c5r n TYR 59 N 1.01 2.19 -3.64 0.00 4.19 -0.05 -4.97 117.16 115.90 1c5r n TYR 59 Ca 0.17 0.34 -0.14 0.00 3.31 0.00 0.00 57.90 61.58 1c5r n TYR 59 Cb 0.51 -2.51 -0.06 0.00 0.49 0.00 0.00 39.34 37.77 1c5r n TYR 59 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1c5r s LYS 60 N 0.55 0.93 0.04 2.98 1.02 -1.26 -5.14 119.74 118.87 1c5r s LYS 60 Ca 0.77 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.44 1c5r s LYS 60 Cb -0.69 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 36.99 1c5r s LYS 60 CO 0.41 -0.31 0.33 0.45 -0.92 0.00 0.00 175.35 175.31 1c5r s SER 61 N -1.81 6.57 0.00 2.83 0.15 -1.26 -4.54 113.70 115.64 1c5r s SER 61 Ca -0.07 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1c5r s SER 61 Cb -0.01 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1c5r s SER 61 CO 0.00 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1c5r n GLY 62 N 1.01 0.45 3.89 9.45 0.00 -1.26 -5.07 105.19 113.66 1c5r n GLY 62 Ca -0.10 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1c5r n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c5r s ILE 63 N -2.88 5.38 -0.07 -0.61 1.01 -1.26 -4.59 121.20 118.17 1c5r s ILE 63 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1c5r s ILE 63 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1c5r s ILE 63 CO 0.00 0.36 -0.20 -1.58 0.00 0.00 0.00 174.94 173.52 1c5r s GLN 64 N -1.79 2.42 -0.16 2.79 0.74 -0.52 -2.54 119.66 120.60 1c5r s GLN 64 Ca 0.27 -0.74 -0.10 0.00 0.05 0.00 0.00 55.36 54.84 1c5r s GLN 64 Cb -0.13 -1.94 -0.05 0.00 1.10 0.00 0.00 33.01 32.00 1c5r s GLN 64 CO 0.16 0.20 0.19 0.08 -0.55 0.00 0.00 175.29 175.38 1c5r s VAL 65 N 0.24 5.39 -0.17 1.34 1.01 0.10 -1.01 120.40 127.30 1c5r s VAL 65 Ca -0.12 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1c5r s VAL 65 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1c5r s VAL 65 CO 0.05 0.49 -0.18 -0.13 0.00 0.00 0.00 175.10 175.33 1c5r s ARG 66 N -0.08 2.79 0.16 2.72 0.52 -0.42 -0.39 118.95 124.26 1c5r s ARG 66 Ca 0.13 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.64 1c5r s ARG 66 Cb -0.12 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1c5r s ARG 66 CO 0.02 -0.22 0.06 -0.51 0.02 0.00 0.00 175.30 174.67 1c5r s LEU 67 N 1.34 3.56 -0.89 2.53 1.43 0.78 -2.08 118.68 125.35 1c5r s LEU 67 Ca 0.05 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1c5r s LEU 67 Cb -0.13 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1c5r s LEU 67 CO -0.12 0.09 0.03 0.61 0.23 0.00 0.00 176.35 177.19 1c5r n GLY 69 N -0.12 -0.05 3.89 -3.19 0.00 -1.26 -1.17 105.19 103.30 1c5r n GLY 69 Ca -0.09 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1c5r n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c5r s GLU 70 N -4.57 3.67 0.00 1.61 0.41 -1.26 -3.93 118.70 114.63 1c5r s GLU 70 Ca 0.01 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.60 1c5r s GLU 70 Cb -0.01 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1c5r s GLU 70 CO 0.02 0.40 0.00 -3.47 -0.49 0.00 0.00 175.26 171.72 1c5r n ASP 71 N -0.06 0.00 -4.58 -0.19 2.03 -1.26 -4.58 116.55 107.91 1c5r n ASP 71 Ca -0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 1c5r n ASP 71 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 1c5r n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1c5r s ASN 72 N -1.90 6.49 0.00 1.67 3.84 -1.25 -3.12 114.94 120.67 1c5r s ASN 72 Ca 0.00 0.28 0.28 0.00 0.21 0.00 0.00 52.86 53.63 1c5r s ASN 72 Cb 0.00 -2.36 1.41 0.00 -0.55 0.00 0.00 41.25 39.75 1c5r s ASN 72 CO 0.00 -0.63 1.96 2.30 -2.79 0.00 0.00 177.10 177.93 1c5r n ILE 73 N 5.64 0.09 0.77 -5.21 -5.35 0.33 -3.01 119.36 112.62 1c5r n ILE 73 Ca 0.01 0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.60 1c5r n ILE 73 Cb 0.48 -0.56 0.03 0.00 -1.74 0.00 0.00 39.64 37.85 1c5r n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1c5r n ASN 74 N -1.28 2.05 -4.04 7.28 3.02 -1.26 -4.94 115.26 116.09 1c5r n ASN 74 Ca 0.13 -1.52 -0.26 0.00 -0.03 0.00 0.00 54.58 52.90 1c5r n ASN 74 Cb 0.22 0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 39.50 1c5r n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c5r s VAL 75 N -1.82 1.25 -0.50 2.41 1.01 -1.16 -5.09 120.40 116.49 1c5r s VAL 75 Ca 0.17 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 1c5r s VAL 75 Cb 0.15 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1c5r s VAL 75 CO 0.36 0.38 1.08 -0.69 0.00 0.00 0.00 175.10 176.23 1c5r s VAL 76 N 0.72 4.24 -1.56 2.92 1.01 -1.26 -4.71 120.40 121.77 1c5r s VAL 76 Ca -0.13 0.97 0.24 0.00 0.00 0.00 0.00 61.98 63.06 1c5r s VAL 76 Cb -0.16 -4.59 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1c5r s VAL 76 CO 0.03 -1.05 1.24 -0.62 0.00 0.00 0.00 175.10 174.71 1c5r n GLU 77 N 7.78 0.64 0.00 2.72 1.02 -1.26 -4.98 120.64 126.56 1c5r n GLU 77 Ca 0.09 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1c5r n GLU 77 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1c5r n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c5r n GLY 78 N 1.43 2.62 1.42 0.62 0.00 -1.26 -4.97 105.19 105.05 1c5r n GLY 78 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1c5r n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c5r n ASN 79 N 0.00 4.48 -4.94 1.61 4.13 -1.26 -5.02 115.26 114.26 1c5r n ASN 79 Ca 0.00 -3.11 -0.25 0.00 1.68 0.00 0.00 54.58 52.90 1c5r n ASN 79 Cb 0.00 -0.64 -0.02 0.00 -1.54 0.00 0.00 39.78 37.58 1c5r n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1c5r s GLU 80 N -2.89 3.50 -0.05 3.52 8.01 -1.25 -4.15 118.70 125.39 1c5r s GLU 80 Ca 0.49 -0.36 -0.00 0.00 0.01 0.00 0.00 54.97 55.10 1c5r s GLU 80 Cb 0.39 -2.74 0.03 0.00 -4.31 0.00 0.00 34.13 27.49 1c5r s GLU 80 CO 0.11 0.27 0.00 -0.65 0.01 0.00 0.00 175.26 175.00 1c5r s GLN 81 N -3.90 0.46 -0.31 1.61 -0.21 -0.31 -4.96 119.66 112.04 1c5r s GLN 81 Ca 0.39 0.09 -0.03 0.00 0.02 0.00 0.00 55.36 55.83 1c5r s GLN 81 Cb -0.10 -0.73 0.05 0.00 1.00 0.00 0.00 33.01 33.23 1c5r s GLN 81 CO 0.32 -0.21 0.03 -0.06 -2.12 0.00 0.00 175.29 173.25 1c5r s PHE 82 N 1.49 3.26 -0.03 0.91 2.99 -1.26 -0.16 117.98 125.19 1c5r s PHE 82 Ca -0.03 -1.72 0.04 0.00 0.00 0.00 0.00 56.93 55.23 1c5r s PHE 82 Cb -0.13 -2.16 -0.01 0.00 0.00 0.00 0.00 43.02 40.72 1c5r s PHE 82 CO -0.03 -0.78 -0.16 0.42 -0.00 0.00 0.00 175.22 174.67 1c5r s ILE 83 N 1.30 1.29 0.47 0.64 1.01 0.48 -4.94 121.20 121.46 1c5r s ILE 83 Ca -0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1c5r s ILE 83 Cb -0.20 -1.10 -0.08 0.00 0.01 0.00 0.00 42.46 41.09 1c5r s ILE 83 CO 0.00 0.37 0.92 -0.44 0.00 0.00 0.00 174.94 175.80 1c5r s SER 84 N -0.14 6.64 0.26 3.58 0.01 -1.26 0.03 113.70 122.82 1c5r s SER 84 Ca 0.01 1.48 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 1c5r s SER 84 Cb -0.09 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 1c5r s SER 84 CO 0.01 -0.50 0.82 0.00 0.41 0.00 0.00 173.24 173.98 1c5r s ALA 85 N -2.49 3.34 -0.15 1.44 0.00 -1.05 -0.81 121.76 122.04 1c5r s ALA 85 Ca 0.57 0.34 0.19 0.00 0.00 0.00 0.00 51.96 53.06 1c5r s ALA 85 Cb -0.10 -2.99 -0.27 0.00 0.00 0.00 0.00 23.12 19.76 1c5r s ALA 85 CO 0.29 0.26 0.23 -1.13 0.00 0.00 0.00 175.76 175.41 1c5r n SER 86 N 0.78 0.06 -3.52 0.00 3.41 -0.22 -4.72 113.62 109.41 1c5r n SER 86 Ca -0.01 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1c5r n SER 86 Cb 0.50 1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 65.61 1c5r n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1c5r s LYS 87 N -2.79 0.82 0.02 4.33 -2.85 -1.23 -5.02 119.74 113.02 1c5r s LYS 87 Ca -0.09 -0.06 0.05 0.00 -1.00 0.00 0.00 55.97 54.87 1c5r s LYS 87 Cb 0.08 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1c5r s LYS 87 CO 0.85 -0.31 -0.16 -1.12 0.10 0.00 0.00 175.35 174.71 1c5r s SER 88 N -1.80 1.90 -0.16 0.03 0.01 -1.26 -1.03 113.70 111.39 1c5r s SER 88 Ca -0.01 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 1c5r s SER 88 Cb -0.01 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.10 1c5r s SER 88 CO -0.02 0.12 -0.03 -0.63 0.41 0.00 0.00 173.24 173.09 1c5r s ILE 89 N -0.66 0.91 0.19 1.44 1.01 0.34 -4.99 121.20 119.44 1c5r s ILE 89 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1c5r s ILE 89 Cb -0.07 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.18 1c5r s ILE 89 CO 0.01 0.07 0.51 -0.69 0.00 0.00 0.00 174.94 174.84 1c5r s VAL 90 N 1.72 4.96 0.18 2.92 1.01 -1.26 -1.31 120.40 128.62 1c5r s VAL 90 Ca 0.01 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.13 1c5r s VAL 90 Cb -0.15 -3.64 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 1c5r s VAL 90 CO -0.07 0.03 1.55 1.57 0.00 0.00 0.00 175.10 178.18 1c5r n HIS 91 N 0.15 2.29 -0.29 5.22 -0.00 -0.86 -4.84 115.22 116.89 1c5r n HIS 91 Ca -0.02 0.29 0.34 0.00 0.46 0.00 0.00 57.72 58.79 1c5r n HIS 91 Cb 0.52 -2.53 0.75 0.00 -0.12 0.00 0.00 29.99 28.60 1c5r n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1c5r h PRO 92 N 5.60 0.00 -0.38 1.57 0.13 -1.93 -1.76 132.00 135.22 1c5r h PRO 92 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1c5r h PRO 92 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1c5r h PRO 92 CO 0.86 0.00 0.04 0.43 -0.23 0.00 0.00 178.00 179.10 1c5r n SER 93 N -4.18 3.75 -4.73 1.44 7.64 -1.26 -5.00 113.62 111.28 1c5r n SER 93 Ca 0.24 -3.25 -0.42 0.00 1.01 0.00 0.00 58.87 56.46 1c5r n SER 93 Cb 1.19 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1c5r n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1c5r s TYR 94 N -2.97 3.26 -0.34 1.43 6.14 -0.66 -4.67 117.35 119.54 1c5r s TYR 94 Ca 0.46 1.16 0.00 0.00 0.64 0.00 0.00 57.07 59.33 1c5r s TYR 94 Cb 0.38 -3.62 0.08 0.00 0.42 0.00 0.00 41.96 39.23 1c5r s TYR 94 CO 0.08 -1.98 0.06 1.21 0.64 0.00 0.00 175.55 175.55 1c5r s ASN 95 N 0.52 4.89 0.02 4.32 3.84 -0.80 -4.99 114.94 122.75 1c5r s ASN 95 Ca 0.58 -1.78 0.14 0.00 0.21 0.00 0.00 52.86 52.01 1c5r s ASN 95 Cb -0.36 -1.70 0.58 0.00 -0.55 0.00 0.00 41.25 39.22 1c5r s ASN 95 CO 0.36 -0.37 1.43 -1.54 -2.79 0.00 0.00 177.10 174.20 1c5r n SER 96 N 4.47 0.04 0.08 -4.21 3.41 -1.26 -0.18 113.62 115.98 1c5r n SER 96 Ca -0.05 0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 58.84 1c5r n SER 96 Cb 0.42 -0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 63.70 1c5r n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1c5r h ASN 97 N 0.00 0.65 0.00 4.04 -0.26 -1.96 -3.38 115.58 114.66 1c5r h ASN 97 Ca 0.00 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.80 1c5r h ASN 97 Cb 0.23 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1c5r h ASN 97 CO 0.00 1.78 -1.53 0.35 -1.06 0.00 0.00 177.43 176.97 1c5r n THR 98 N -3.63 0.00 -1.52 2.81 -2.24 -1.11 -4.97 114.28 103.62 1c5r n THR 98 Ca -0.24 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.16 1c5r n THR 98 Cb 1.07 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1c5r n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1c5r n LEU 99 N -1.92 -0.74 -4.73 3.22 4.77 0.75 -4.99 117.00 113.35 1c5r n LEU 99 Ca -0.01 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1c5r n LEU 99 Cb 0.40 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1c5r n LEU 99 CO 0.36 -0.22 0.83 0.21 -1.33 0.00 0.00 177.39 177.24 1c5r s ASN 100 N -2.86 7.19 -0.77 -1.43 2.47 -1.19 -3.24 114.94 115.10 1c5r s ASN 100 Ca 0.00 2.10 -0.01 0.00 0.42 0.00 0.00 52.86 55.38 1c5r s ASN 100 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1c5r s ASN 100 CO 0.00 -0.31 0.65 0.59 -3.72 0.00 0.00 177.10 174.31 1c5r n ASN 101 N 2.72 -2.37 -3.94 -4.21 3.02 -1.26 -1.90 115.26 107.32 1c5r n ASN 101 Ca 0.04 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 1c5r n ASN 101 Cb 0.46 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 1c5r n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1c5r n ASP 102 N -2.23 4.42 -3.88 6.41 2.03 -1.20 -4.32 116.55 117.78 1c5r n ASP 102 Ca -0.16 -2.93 -0.11 0.00 0.52 0.00 0.00 54.79 52.11 1c5r n ASP 102 Cb 0.60 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 1c5r n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1c5r s ILE 103 N 2.55 0.08 -0.01 5.18 2.07 -1.26 -3.70 121.20 126.10 1c5r s ILE 103 Ca 0.46 -0.62 -0.11 0.00 -1.41 0.00 0.00 60.65 58.97 1c5r s ILE 103 Cb 0.10 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.34 1c5r s ILE 103 CO -0.04 -0.34 0.23 -0.32 -1.91 0.00 0.00 174.94 172.56 1c5r s MET 104 N -1.18 0.55 -0.02 3.50 -2.45 -0.39 -2.04 119.30 117.28 1c5r s MET 104 Ca -0.13 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.13 1c5r s MET 104 Cb -0.07 0.24 -0.03 0.00 1.25 0.00 0.00 34.83 36.23 1c5r s MET 104 CO 0.01 -0.14 -0.18 -0.51 1.05 0.00 0.00 175.02 175.25 1c5r s LEU 105 N -1.23 2.52 -0.11 4.11 1.43 -0.43 -1.10 118.68 123.89 1c5r s LEU 105 Ca -0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1c5r s LEU 105 Cb -0.06 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1c5r s LEU 105 CO 0.03 0.32 -0.14 -0.63 0.23 0.00 0.00 176.35 176.16 1c5r s ILE 106 N -0.74 1.41 -0.08 -0.59 1.01 0.19 -0.50 121.20 121.91 1c5r s ILE 106 Ca 0.12 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1c5r s ILE 106 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1c5r s ILE 106 CO 0.01 0.43 0.18 -0.75 0.00 0.00 0.00 174.94 174.81 1c5r s LYS 107 N 1.12 3.50 0.33 2.79 2.20 -0.20 -1.00 119.74 128.48 1c5r s LYS 107 Ca -0.04 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.39 1c5r s LYS 107 Cb -0.14 -3.17 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1c5r s LYS 107 CO -0.03 0.74 0.64 -0.51 -0.36 0.00 0.00 175.35 175.83 1c5r s LEU 108 N -1.24 3.97 0.25 5.43 1.43 0.13 -1.05 118.68 127.61 1c5r s LEU 108 Ca 0.19 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 1c5r s LEU 108 Cb -0.13 -3.74 0.31 0.00 0.03 0.00 0.00 46.19 42.67 1c5r s LEU 108 CO 0.08 -0.27 1.61 0.11 0.23 0.00 0.00 176.35 178.11 1c5r h LYS 109 N 1.56 0.28 -4.89 1.70 1.57 -1.26 -3.41 116.57 112.12 1c5r h LYS 109 Ca -0.47 -0.17 -0.30 0.00 -1.87 0.00 0.00 60.65 57.84 1c5r h LYS 109 Cb 1.19 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 1c5r h LYS 109 CO 0.65 0.73 -0.73 0.45 -0.57 0.00 0.00 179.45 179.99 1c5r s SER 110 N -6.89 1.36 0.08 0.86 0.15 -1.26 -5.01 113.70 102.99 1c5r s SER 110 Ca -0.05 -0.81 -0.30 0.00 0.70 0.00 0.00 55.95 55.49 1c5r s SER 110 Cb 0.12 0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1c5r s SER 110 CO 0.79 -0.28 0.97 0.00 1.20 0.00 0.00 173.24 175.92 1c5r s ALA 111 N -2.47 3.22 0.74 5.45 0.00 -1.26 -4.84 121.76 122.60 1c5r s ALA 111 Ca 0.05 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1c5r s ALA 111 Cb -0.03 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1c5r s ALA 111 CO -0.01 -0.08 1.12 0.00 0.00 0.00 0.00 175.76 176.80 1c5r s ALA 112 N 0.27 2.21 -0.43 0.00 0.00 0.53 -4.98 121.76 119.37 1c5r s ALA 112 Ca 0.48 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 1c5r s ALA 112 Cb -0.23 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1c5r s ALA 112 CO 0.29 -1.73 0.46 -1.12 0.00 0.00 0.00 175.76 173.66 1c5r s SER 113 N -2.77 6.20 0.22 0.00 0.01 -1.26 -4.83 113.70 111.27 1c5r s SER 113 Ca 0.66 -0.70 -0.26 0.00 1.31 0.00 0.00 55.95 56.96 1c5r s SER 113 Cb -0.21 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 1c5r s SER 113 CO 0.49 -0.61 0.85 -0.76 0.41 0.00 0.00 173.24 173.62 1c5r s LEU 114 N 2.18 4.54 0.00 2.44 1.43 -1.26 -4.82 118.68 123.19 1c5r s LEU 114 Ca 0.12 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1c5r s LEU 114 Cb -0.17 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1c5r s LEU 114 CO 0.13 0.13 0.00 -0.46 0.23 0.00 0.00 176.35 176.38 1c5r n ASN 115 N 1.29 0.00 0.23 2.29 0.23 0.38 -4.97 115.26 114.71 1c5r n ASN 115 Ca -0.03 -0.20 0.08 0.00 -0.53 0.00 0.00 54.58 53.90 1c5r n ASN 115 Cb 0.49 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.73 1c5r n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1c5r h SER 116 N 0.00 0.00 0.39 0.53 0.02 -2.00 -2.98 113.55 109.50 1c5r h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c5r h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1c5r h SER 116 CO 0.00 0.22 -1.13 0.54 -1.14 0.00 0.00 176.83 175.32 1c5r n ARG 117 N -3.87 0.33 -3.81 3.45 1.74 -1.26 -4.76 116.66 108.48 1c5r n ARG 117 Ca -0.02 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 1c5r n ARG 117 Cb 0.31 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.00 1c5r n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1c5r s VAL 118 N -3.23 0.88 0.11 1.55 1.01 -1.13 -4.39 120.40 115.20 1c5r s VAL 118 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1c5r s VAL 118 Cb 0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1c5r s VAL 118 CO 0.82 -0.18 -0.03 0.00 0.00 0.00 0.00 175.10 175.71 1c5r s ALA 119 N 1.69 0.95 0.36 5.51 0.00 -0.85 -0.47 121.76 128.96 1c5r s ALA 119 Ca -0.03 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 50.62 1c5r s ALA 119 Cb -0.18 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1c5r s ALA 119 CO -0.08 -0.31 0.50 -1.54 0.00 0.00 0.00 175.76 174.33 1c5r s SER 120 N -3.05 5.88 0.17 0.00 1.04 -1.26 -3.12 113.70 113.37 1c5r s SER 120 Ca 0.15 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1c5r s SER 120 Cb 0.06 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 1c5r s SER 120 CO -0.03 -0.53 -0.07 -0.51 0.98 0.00 0.00 173.24 173.08 1c5r s ILE 121 N -2.23 3.34 0.24 -1.02 1.10 -0.25 -4.86 121.20 117.53 1c5r s ILE 121 Ca 0.48 -1.57 -0.12 0.00 -0.51 0.00 0.00 60.65 58.93 1c5r s ILE 121 Cb -0.10 -2.66 -0.08 0.00 0.15 0.00 0.00 42.46 39.78 1c5r s ILE 121 CO 0.32 -0.10 0.60 -0.44 -2.11 0.00 0.00 174.94 173.21 1c5r s SER 122 N -2.82 6.70 0.39 4.50 0.01 -1.26 -4.60 113.70 116.61 1c5r s SER 122 Ca 0.25 1.04 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 1c5r s SER 122 Cb -0.09 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 1c5r s SER 122 CO 0.16 -0.08 0.80 -0.76 0.41 0.00 0.00 173.24 173.77 1c5r s LEU 123 N -2.74 3.90 0.62 2.44 1.43 -1.26 -0.98 118.68 122.08 1c5r s LEU 123 Ca 0.48 1.29 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 1c5r s LEU 123 Cb -0.11 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 1c5r s LEU 123 CO 0.20 -0.35 1.05 -2.16 0.23 0.00 0.00 176.35 175.32 1c5r s PRO 124 N -3.49 3.30 -0.19 1.29 0.04 -1.26 -4.79 135.00 129.89 1c5r s PRO 124 Ca 0.54 1.07 0.15 0.00 0.04 0.00 0.00 61.00 62.81 1c5r s PRO 124 Cb -0.10 -2.04 -0.24 0.00 0.04 0.00 0.00 34.50 32.17 1c5r s PRO 124 CO 0.25 -0.82 0.09 0.25 0.04 0.00 0.00 177.00 176.81 1c5r n THR 125 N -2.34 1.43 -4.14 1.26 -2.24 -1.26 -4.96 114.28 102.03 1c5r n THR 125 Ca 0.08 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1c5r n THR 125 Cb 0.53 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 1c5r n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c5r s SER 127 N -5.69 0.51 0.47 3.42 1.04 -1.26 -5.15 113.70 107.04 1c5r s SER 127 Ca -0.13 -1.36 -0.08 0.00 0.48 0.00 0.00 55.95 54.86 1c5r s SER 127 Cb 0.07 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1c5r s SER 127 CO 0.80 -1.05 0.82 0.00 0.98 0.00 0.00 173.24 174.79 1c5r s ALA 129 N -2.67 3.75 0.39 0.00 0.00 -1.26 -5.08 121.76 116.90 1c5r s ALA 129 Ca 0.50 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1c5r s ALA 129 Cb -0.10 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1c5r s ALA 129 CO 0.41 0.20 0.85 -1.12 0.00 0.00 0.00 175.76 176.10 1c5r s SER 130 N -3.59 6.80 0.52 0.00 0.01 -1.26 -5.02 113.70 111.17 1c5r s SER 130 Ca 0.40 1.47 -0.23 0.00 1.31 0.00 0.00 55.95 58.89 1c5r s SER 130 Cb -0.10 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1c5r s SER 130 CO 0.32 -0.33 1.39 0.00 0.41 0.00 0.00 173.24 175.04 1c5r s ALA 132 N -2.17 2.93 0.00 1.44 0.00 -1.26 -1.80 121.76 120.90 1c5r s ALA 132 Ca 0.58 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1c5r s ALA 132 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1c5r s ALA 132 CO 0.18 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1c5r n GLY 133 N 0.69 3.00 3.74 0.00 0.00 0.38 -4.93 105.19 108.08 1c5r n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1c5r n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c5r s THR 134 N -2.97 2.19 0.14 2.61 2.01 -0.75 -4.58 115.64 114.28 1c5r s THR 134 Ca 0.00 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 1c5r s THR 134 Cb 0.00 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 1c5r s THR 134 CO 0.00 0.02 0.70 -1.10 -0.69 0.00 0.00 174.62 173.55 1c5r s GLN 135 N -0.11 4.40 0.30 4.92 -1.52 -1.26 -1.30 119.66 125.09 1c5r s GLN 135 Ca 0.65 0.98 0.04 0.00 -1.95 0.00 0.00 55.36 55.08 1c5r s GLN 135 Cb -0.47 -3.22 -0.06 0.00 -0.22 0.00 0.00 33.01 29.04 1c5r s GLN 135 CO 0.44 0.58 0.03 0.00 -0.25 0.00 0.00 175.29 176.09 1c5r s LEU 137 N -3.44 2.35 -0.07 0.00 2.96 0.87 -1.57 118.68 119.79 1c5r s LEU 137 Ca 0.34 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1c5r s LEU 137 Cb 0.07 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1c5r s LEU 137 CO 0.14 0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.43 1c5r s ILE 138 N 0.69 2.42 0.04 6.68 1.01 0.12 -1.08 121.20 131.08 1c5r s ILE 138 Ca -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1c5r s ILE 138 Cb -0.16 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1c5r s ILE 138 CO 0.02 0.57 0.06 -0.94 0.00 0.00 0.00 174.94 174.64 1c5r s SER 139 N -0.22 0.27 0.00 3.58 1.04 -1.22 -0.65 113.70 116.50 1c5r s SER 139 Ca -0.01 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1c5r s SER 139 Cb -0.13 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1c5r s SER 139 CO 0.03 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1c5r n GLY 140 N 0.58 0.67 1.64 7.32 0.00 -0.37 -4.49 105.19 110.54 1c5r n GLY 140 Ca -0.18 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1c5r n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c5r n TRP 141 N -0.56 1.98 -1.72 1.61 8.01 -1.26 -2.15 117.44 123.35 1c5r n TRP 141 Ca 0.00 -1.64 -0.22 0.00 -1.31 0.00 0.00 57.50 54.33 1c5r n TRP 141 Cb 0.00 -0.68 0.15 0.00 -2.01 0.00 0.00 31.31 28.77 1c5r n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1c5r n GLY 142 N -1.03 -1.34 3.70 6.99 0.00 -1.25 -4.47 105.19 107.79 1c5r n GLY 142 Ca 0.44 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1c5r n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1c5r n ASN 143 N -3.62 2.77 -0.60 1.61 5.15 -0.44 -3.19 115.26 116.93 1c5r n ASN 143 Ca 0.12 1.18 0.05 0.00 -0.60 0.00 0.00 54.58 55.34 1c5r n ASN 143 Cb 0.43 -1.50 0.14 0.00 -0.53 0.00 0.00 39.78 38.32 1c5r n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1c5r n THR 144 N 0.20 0.90 -4.39 -0.44 -2.24 -0.48 -0.07 114.28 107.76 1c5r n THR 144 Ca 0.05 -0.95 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 1c5r n THR 144 Cb 0.37 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1c5r n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1c5r s LYS 145 N -0.99 1.73 -0.19 -0.78 -0.14 -1.26 -4.49 119.74 113.62 1c5r s LYS 145 Ca 0.21 -1.19 -0.24 0.00 -1.36 0.00 0.00 55.97 53.39 1c5r s LYS 145 Cb 0.11 -2.07 -0.21 0.00 -1.68 0.00 0.00 37.83 33.98 1c5r s LYS 145 CO 0.15 0.48 0.41 0.77 -0.76 0.00 0.00 175.35 176.40 1c5r h SER 146 N 3.90 0.00 -3.93 2.83 0.02 -1.95 -3.40 113.55 111.02 1c5r h SER 146 Ca -0.50 -0.68 -0.76 0.00 -0.84 0.00 0.00 61.79 59.02 1c5r h SER 146 Cb 1.17 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.41 1c5r h SER 146 CO 0.44 1.32 -0.05 -0.44 -1.14 0.00 0.00 176.83 176.97 1c5r s SER 147 N -6.63 6.26 0.00 3.07 0.01 -1.26 -4.64 113.70 110.51 1c5r s SER 147 Ca -0.25 -2.80 0.00 0.00 1.31 0.00 0.00 55.95 54.21 1c5r s SER 147 Cb 0.03 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1c5r s SER 147 CO 0.63 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1c5r n GLY 148 N 3.73 0.83 2.80 3.44 0.00 -1.26 -5.09 105.19 109.65 1c5r n GLY 148 Ca 0.12 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 1c5r n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c5r s THR 149 N -1.47 0.46 -0.24 2.61 2.01 -1.26 -4.64 115.64 113.11 1c5r s THR 149 Ca 0.00 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1c5r s THR 149 Cb 0.00 -0.59 0.12 0.00 0.01 0.00 0.00 72.50 72.04 1c5r s THR 149 CO 0.00 0.27 0.31 -0.55 -0.69 0.00 0.00 174.62 173.96 1c5r s SER 150 N 1.81 0.84 -0.24 3.53 0.15 -1.26 -4.97 113.70 113.55 1c5r s SER 150 Ca 0.03 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.49 1c5r s SER 150 Cb -0.13 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1c5r s SER 150 CO -0.05 -0.32 0.14 -0.31 1.20 0.00 0.00 173.24 173.89 1c5r s TYR 151 N 2.44 3.24 0.71 3.44 2.02 -1.26 -1.39 117.35 126.56 1c5r s TYR 151 Ca 0.10 0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 1c5r s TYR 151 Cb -0.15 -2.26 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1c5r s TYR 151 CO -0.18 -0.05 1.08 -1.25 -1.57 0.00 0.00 175.55 173.59 1c5r s PRO 152 N 1.22 2.80 -0.01 -1.71 0.04 -1.26 -5.00 135.00 131.08 1c5r s PRO 152 Ca 0.06 0.65 0.13 0.00 0.04 0.00 0.00 61.00 61.89 1c5r s PRO 152 Cb -0.14 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 1c5r s PRO 152 CO 0.05 -1.12 0.41 -0.25 0.04 0.00 0.00 177.00 176.13 1c5r n ASP 153 N -3.10 1.34 -4.65 6.66 8.00 -1.26 -4.92 116.55 118.62 1c5r n ASP 153 Ca 0.07 -0.36 -0.25 0.00 0.71 0.00 0.00 54.79 54.95 1c5r n ASP 153 Cb 0.56 1.34 -0.08 0.00 -0.02 0.00 0.00 41.12 42.92 1c5r n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1c5r s VAL 154 N -2.61 3.61 0.40 2.53 -7.23 -1.26 -0.51 120.40 115.33 1c5r s VAL 154 Ca -0.00 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 1c5r s VAL 154 Cb 0.09 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1c5r s VAL 154 CO 0.55 -0.19 1.38 -0.22 -0.31 0.00 0.00 175.10 176.30 1c5r s LEU 155 N -3.17 4.24 0.09 1.32 2.96 -1.18 -4.80 118.68 118.14 1c5r s LEU 155 Ca 0.28 2.83 0.09 0.00 -0.22 0.00 0.00 54.13 57.12 1c5r s LEU 155 Cb -0.08 -3.82 -0.03 0.00 0.50 0.00 0.00 46.19 42.75 1c5r s LEU 155 CO 0.19 -0.90 -0.24 -0.54 -1.32 0.00 0.00 176.35 173.54 1c5r s LYS 156 N -2.20 1.39 0.14 1.98 -0.14 -0.92 -2.43 119.74 117.57 1c5r s LYS 156 Ca 0.56 -1.18 0.08 0.00 -1.36 0.00 0.00 55.97 54.07 1c5r s LYS 156 Cb -0.42 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1c5r s LYS 156 CO 0.55 0.41 -0.19 0.00 -0.76 0.00 0.00 175.35 175.36 1c5r s LEU 158 N -2.38 0.31 -0.19 0.00 2.96 0.18 -0.04 118.68 119.52 1c5r s LEU 158 Ca 0.12 0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1c5r s LEU 158 Cb -0.07 1.15 -0.04 0.00 0.50 0.00 0.00 46.19 47.72 1c5r s LEU 158 CO 0.06 -0.16 0.07 -0.54 -1.32 0.00 0.00 176.35 174.46 1c5r s LYS 159 N 0.90 4.00 -0.07 1.98 1.02 -1.26 -0.70 119.74 125.61 1c5r s LYS 159 Ca -0.06 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 1c5r s LYS 159 Cb -0.07 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1c5r s LYS 159 CO -0.07 0.26 0.27 0.00 -0.92 0.00 0.00 175.35 174.89 1c5r s ALA 160 N 0.41 -0.67 0.45 5.17 0.00 -0.61 -4.94 121.76 121.58 1c5r s ALA 160 Ca 0.04 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1c5r s ALA 160 Cb -0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1c5r s ALA 160 CO 0.00 -0.18 0.78 -1.25 0.00 0.00 0.00 175.76 175.11 1c5r s PRO 161 N -0.46 3.65 0.27 0.00 0.04 -1.26 -0.61 135.00 136.62 1c5r s PRO 161 Ca -0.06 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 1c5r s PRO 161 Cb -0.04 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1c5r s PRO 161 CO 0.02 -0.13 1.00 0.42 0.04 0.00 0.00 177.00 178.34 1c5r s ILE 162 N -2.58 3.88 0.32 0.56 1.01 -0.42 -1.39 121.20 122.57 1c5r s ILE 162 Ca 0.49 1.83 0.06 0.00 0.00 0.00 0.00 60.65 63.02 1c5r s ILE 162 Cb -0.10 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1c5r s ILE 162 CO 0.39 0.39 0.45 -0.76 0.00 0.00 0.00 174.94 175.41 1c5r s LEU 163 N -1.45 4.04 0.59 2.97 1.43 -0.27 -0.47 118.68 125.52 1c5r s LEU 163 Ca 0.44 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1c5r s LEU 163 Cb -0.27 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1c5r s LEU 163 CO 0.34 -0.36 1.12 -0.94 0.23 0.00 0.00 176.35 176.75 1c5r s SER 164 N -4.13 5.47 0.40 2.29 1.04 -1.26 -4.63 113.70 112.87 1c5r s SER 164 Ca 0.42 2.11 0.09 0.00 0.48 0.00 0.00 55.95 59.06 1c5r s SER 164 Cb -0.09 -2.57 0.82 0.00 0.10 0.00 0.00 66.02 64.27 1c5r s SER 164 CO 0.31 -1.39 1.94 0.44 0.98 0.00 0.00 173.24 175.52 1c5r h ASP 165 N 0.73 0.25 -0.28 7.02 3.32 -1.98 -2.52 116.42 122.96 1c5r h ASP 165 Ca -0.49 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1c5r h ASP 165 Cb 1.26 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1c5r h ASP 165 CO 0.56 0.36 0.18 0.77 -1.72 0.00 0.00 179.24 179.39 1c5r h SER 166 N 0.26 0.33 0.53 6.45 4.64 -1.98 0.19 113.55 123.96 1c5r h SER 166 Ca 0.06 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1c5r h SER 166 Cb 0.30 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1c5r h SER 166 CO 0.01 0.25 -0.44 0.77 -0.87 0.00 0.00 176.83 176.56 1c5r h SER 167 N 0.37 0.00 -0.13 4.97 4.64 -1.87 -0.73 113.55 120.80 1c5r h SER 167 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1c5r h SER 167 Cb -0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1c5r h SER 167 CO -0.02 0.44 -0.06 0.00 -0.87 0.00 0.00 176.83 176.32 1c5r h LYS 169 N -0.08 0.36 -0.08 0.00 1.57 -0.47 -2.27 116.57 115.61 1c5r h LYS 169 Ca 0.03 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1c5r h LYS 169 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1c5r h LYS 169 CO 0.02 0.66 -0.53 0.77 -0.57 0.00 0.00 179.45 179.79 1c5r h SER 170 N 0.31 0.25 -0.39 0.86 0.02 -1.12 -2.35 113.55 111.14 1c5r h SER 170 Ca 0.04 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 1c5r h SER 170 Cb 0.74 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1c5r h SER 170 CO 0.06 0.74 -0.36 0.00 -1.14 0.00 0.00 176.83 176.13 1c5r h ALA 171 N 1.27 0.57 -2.48 3.77 0.00 -1.33 -3.35 119.26 117.69 1c5r h ALA 171 Ca 0.00 -0.44 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1c5r h ALA 171 Cb 1.00 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 18.25 1c5r h ALA 171 CO 0.08 0.65 -0.65 0.66 0.00 0.00 0.00 179.25 180.00 1c5r n TYR 172 N -4.08 2.97 -1.83 0.00 4.02 -0.87 -4.99 117.16 112.39 1c5r n TYR 172 Ca -0.02 -4.12 -0.41 0.00 -0.01 0.00 0.00 57.90 53.34 1c5r n TYR 172 Cb 0.53 -0.52 -0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1c5r n TYR 172 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1c5r s PRO 173 N -1.92 4.12 -1.37 -0.72 0.02 -0.89 -2.39 135.00 131.85 1c5r s PRO 173 Ca 0.34 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1c5r s PRO 173 Cb 0.08 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.63 1c5r s PRO 173 CO -0.08 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1c5r n GLY 174 N 0.48 1.23 0.00 0.52 0.00 -1.26 -4.80 105.19 101.37 1c5r n GLY 174 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1c5r n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1c5r n GLN 175 N -1.10 6.58 -3.64 1.61 6.02 -1.00 -5.02 117.38 120.82 1c5r n GLN 175 Ca -0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.50 1c5r n GLN 175 Cb 0.62 -0.48 -0.08 0.00 1.02 0.00 0.00 30.24 31.31 1c5r n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1c5r s ILE 176 N -0.96 5.36 0.50 5.09 -1.09 -1.25 -5.03 121.20 123.81 1c5r s ILE 176 Ca 0.00 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 1c5r s ILE 176 Cb 0.00 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1c5r s ILE 176 CO 0.00 0.40 0.40 0.42 -1.23 0.00 0.00 174.94 174.93 1c5r s THR 177 N 0.55 2.03 -1.37 2.92 -4.23 -1.26 -4.99 115.64 109.29 1c5r s THR 177 Ca 0.11 -1.44 0.13 0.00 -1.18 0.00 0.00 61.69 59.31 1c5r s THR 177 Cb -0.12 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1c5r s THR 177 CO 0.01 0.00 1.34 -1.54 -0.54 0.00 0.00 174.62 173.89 1c5r n SER 178 N -1.69 0.00 -1.64 3.99 3.41 -1.26 -2.37 113.62 114.06 1c5r n SER 178 Ca 0.01 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1c5r n SER 178 Cb 0.63 -0.31 0.37 0.00 -0.26 0.00 0.00 64.21 64.64 1c5r n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1c5r n ASN 179 N -1.31 4.90 -4.04 4.04 3.02 -1.26 -4.92 115.26 115.68 1c5r n ASN 179 Ca 0.06 -2.50 -0.12 0.00 -0.03 0.00 0.00 54.58 51.99 1c5r n ASN 179 Cb 0.11 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 1c5r n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1c5r s MET 180 N -1.94 0.48 0.06 3.52 -1.94 -1.00 -1.20 119.30 117.28 1c5r s MET 180 Ca 0.52 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.68 1c5r s MET 180 Cb 0.34 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 37.02 1c5r s MET 180 CO 0.24 0.01 0.15 -0.59 -0.01 0.00 0.00 175.02 174.83 1c5r s PHE 181 N -1.54 0.18 0.08 -0.03 -0.12 -0.68 -4.75 117.98 111.11 1c5r s PHE 181 Ca -0.11 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.26 1c5r s PHE 181 Cb -0.09 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1c5r s PHE 181 CO -0.00 -0.47 0.04 0.00 -0.05 0.00 0.00 175.22 174.74 1c5r s ALA 183 N -1.33 -0.25 0.00 0.00 0.00 -1.05 -1.12 121.76 118.02 1c5r s ALA 183 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1c5r s ALA 183 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1c5r s ALA 183 CO 0.19 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1c5r n GLY 184 N 2.10 0.68 2.84 0.00 0.00 -0.49 -2.90 105.19 107.41 1c5r n GLY 184 Ca -0.19 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1c5r n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c5r s TYR 184 N -4.00 1.11 0.41 1.61 1.51 -1.26 -4.35 117.35 112.37 1c5r s TYR 184 Ca 0.00 -0.51 0.39 0.00 -1.01 0.00 0.00 57.07 55.94 1c5r s TYR 184 Cb 0.00 -1.03 1.92 0.00 -0.11 0.00 0.00 41.96 42.73 1c5r s TYR 184 CO 0.00 -0.44 2.19 -0.07 -1.11 0.00 0.00 175.55 176.12 1c5r h LEU 185 N 8.24 0.00 0.00 -1.29 3.38 -1.96 -0.78 115.31 122.90 1c5r h LEU 185 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1c5r h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1c5r h LEU 185 CO 0.34 0.01 0.00 -1.84 0.09 0.00 0.00 178.44 177.03 1c5r n GLU 186 N -3.12 0.05 0.00 1.13 0.00 -1.26 0.06 120.64 117.50 1c5r n GLU 186 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1c5r n GLU 186 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1c5r n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1c5r n GLY 187 N 1.32 -2.16 1.04 -1.84 0.00 -0.30 -4.41 105.19 98.83 1c5r n GLY 187 Ca 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1c5r n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c5r n GLY 188 N -0.14 2.62 3.04 -0.02 0.00 -0.20 -4.87 105.19 105.63 1c5r n GLY 188 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1c5r n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c5r s LYS 188 N 0.00 1.72 -0.03 1.61 1.02 -1.26 -3.85 119.74 118.95 1c5r s LYS 188 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.23 1c5r s LYS 188 Cb 0.00 -1.43 0.12 0.00 -0.52 0.00 0.00 37.83 36.01 1c5r s LYS 188 CO 0.00 0.07 1.32 0.34 -0.92 0.00 0.00 175.35 176.16 1c5r s ASP 189 N 0.53 -0.04 0.73 2.83 3.68 -0.68 -4.42 116.67 119.30 1c5r s ASP 189 Ca -0.13 -0.12 -0.02 0.00 2.13 0.00 0.00 52.55 54.42 1c5r s ASP 189 Cb -0.15 0.13 0.13 0.00 -1.45 0.00 0.00 42.92 41.58 1c5r s ASP 189 CO 0.04 -0.24 1.01 -0.94 0.13 0.00 0.00 175.17 175.17 1c5r s SER 190 N -3.08 4.29 0.33 -0.34 1.04 -1.26 -0.86 113.70 113.82 1c5r s SER 190 Ca 0.16 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 1c5r s SER 190 Cb 0.05 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.14 1c5r s SER 190 CO -0.04 -1.90 0.68 0.00 0.98 0.00 0.00 173.24 172.96 1c5r n GLN 192 N -0.46 2.05 0.00 0.00 10.64 -1.26 -1.63 117.38 126.72 1c5r n GLN 192 Ca -0.07 0.74 0.00 0.00 -1.83 0.00 0.00 57.00 55.84 1c5r n GLN 192 Cb 0.50 -2.60 0.00 0.00 -0.86 0.00 0.00 30.24 27.29 1c5r n GLN 192 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1c5r n GLY 193 N 0.65 3.35 0.07 2.61 0.00 -1.26 -1.33 105.19 109.28 1c5r n GLY 193 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1c5r n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c5r n ASP 194 N 0.00 0.62 -4.45 1.61 10.43 -0.64 -3.87 116.55 120.24 1c5r n ASP 194 Ca 0.00 0.12 -0.50 0.00 2.57 0.00 0.00 54.79 56.98 1c5r n ASP 194 Cb 0.00 0.81 -0.04 0.00 1.84 0.00 0.00 41.12 43.73 1c5r n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1c5r n SER 195 N -2.39 -0.55 0.00 -2.24 7.64 -1.26 -1.73 113.62 113.10 1c5r n SER 195 Ca -0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1c5r n SER 195 Cb 0.52 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1c5r n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c5r n GLY 196 N 1.83 3.02 3.69 0.23 0.00 0.04 -0.79 105.19 113.20 1c5r n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1c5r n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c5r s GLY 197 N -1.78 1.61 0.43 -0.02 0.00 -0.70 -3.55 107.32 103.31 1c5r s GLY 197 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 44.72 44.52 1c5r s GLY 197 CO 0.00 0.49 0.91 2.56 0.00 0.00 0.00 173.10 177.06 1c5r s PRO 198 N -4.86 4.07 -0.24 2.90 0.04 -1.26 -1.38 135.00 134.27 1c5r s PRO 198 Ca 0.64 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1c5r s PRO 198 Cb -0.19 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.19 1c5r s PRO 198 CO 0.58 -0.07 0.03 0.08 0.04 0.00 0.00 177.00 177.67 1c5r s VAL 199 N -2.29 0.92 -0.15 -0.36 1.01 -0.96 -3.38 120.40 115.20 1c5r s VAL 199 Ca 0.59 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1c5r s VAL 199 Cb -0.10 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1c5r s VAL 199 CO 0.20 -0.34 -0.06 -0.69 0.00 0.00 0.00 175.10 174.21 1c5r s VAL 200 N 1.65 3.65 -0.05 2.92 1.01 -0.24 -1.50 120.40 127.83 1c5r s VAL 200 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1c5r s VAL 200 Cb -0.18 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1c5r s VAL 200 CO -0.13 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 1c5r n SER 202 N 4.04 -4.61 0.00 0.00 7.64 -1.26 -1.75 113.62 117.68 1c5r n SER 202 Ca -0.24 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1c5r n SER 202 Cb 0.51 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 1c5r n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c5r n GLY 203 N -1.59 0.93 3.40 0.23 0.00 -1.26 -5.02 105.19 101.88 1c5r n GLY 203 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1c5r n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c5r s LYS 204 N -0.00 1.44 -0.42 1.61 -0.14 -0.72 -4.16 119.74 117.35 1c5r s LYS 204 Ca 0.00 -1.35 -0.29 0.00 -1.36 0.00 0.00 55.97 52.97 1c5r s LYS 204 Cb 0.00 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 1c5r s LYS 204 CO 0.00 0.45 1.09 -1.17 -0.76 0.00 0.00 175.35 174.96 1c5r s LEU 209 N -2.12 3.77 -0.04 3.17 2.96 -0.16 -1.46 118.68 124.81 1c5r s LEU 209 Ca 0.15 0.64 0.12 0.00 -0.22 0.00 0.00 54.13 54.82 1c5r s LEU 209 Cb -0.10 -3.51 -0.19 0.00 0.50 0.00 0.00 46.19 42.90 1c5r s LEU 209 CO 0.07 -1.10 0.23 0.00 -1.32 0.00 0.00 176.35 174.22 1c5r n GLN 210 N 7.44 0.75 -4.06 1.98 1.13 -0.56 -4.08 117.38 119.97 1c5r n GLN 210 Ca 0.11 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1c5r n GLN 210 Cb 0.48 -1.30 -0.07 0.00 0.11 0.00 0.00 30.24 29.46 1c5r n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1c5r s GLY 211 N -3.67 0.80 -0.05 1.08 0.00 -0.94 -1.81 107.32 102.73 1c5r s GLY 211 Ca -0.05 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1c5r s GLY 211 CO 0.52 -0.87 -0.12 -0.42 0.00 0.00 0.00 173.10 172.20 1c5r s ILE 212 N -4.06 1.09 -0.05 0.90 1.01 -1.12 -2.27 121.20 116.70 1c5r s ILE 212 Ca 0.27 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1c5r s ILE 212 Cb 0.02 -0.98 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 1c5r s ILE 212 CO 0.09 0.34 1.92 -0.69 0.00 0.00 0.00 174.94 176.60 1c5r s VAL 213 N 0.42 3.19 0.00 2.92 1.01 -0.48 -1.41 120.40 126.06 1c5r s VAL 213 Ca -0.09 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1c5r s VAL 213 Cb -0.13 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1c5r s VAL 213 CO 0.02 -0.05 -0.02 -0.24 0.00 0.00 0.00 175.10 174.82 1c5r n SER 214 N 8.35 0.31 -2.89 3.32 2.88 -1.04 -0.78 113.62 123.77 1c5r n SER 214 Ca 0.21 0.04 -0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1c5r n SER 214 Cb 0.43 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1c5r n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1c5r s TRP 215 N -1.28 0.44 -0.07 0.66 1.48 -0.74 -4.93 118.94 114.49 1c5r s TRP 215 Ca -0.02 -1.01 -0.31 0.00 -1.06 0.00 0.00 56.10 53.70 1c5r s TRP 215 Cb 0.00 0.59 0.12 0.00 -1.16 0.00 0.00 33.47 33.03 1c5r s TRP 215 CO 0.03 -1.50 1.37 0.20 -4.06 0.00 0.00 176.95 172.99 1c5r s GLY 216 N -3.14 -0.35 -0.47 3.67 0.00 -1.26 -0.28 107.32 105.49 1c5r s GLY 216 Ca 0.20 0.55 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 1c5r s GLY 216 CO 0.15 2.86 0.35 -0.45 0.00 0.00 0.00 173.10 176.01 1c5r s SER 217 N -3.39 5.80 0.87 1.64 0.15 -1.26 -4.94 113.70 112.57 1c5r s SER 217 Ca 0.22 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1c5r s SER 217 Cb 0.04 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1c5r s SER 217 CO -0.04 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1c5r n GLY 219 N 4.99 0.69 2.97 9.45 0.00 -1.26 -4.61 105.19 117.43 1c5r n GLY 219 Ca -0.10 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1c5r n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c5r n ALA 221 N 3.27 -0.51 -1.90 0.00 0.00 -1.26 -4.57 120.51 115.54 1c5r n ALA 221 Ca -0.17 0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 1c5r n ALA 221 Cb 0.55 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1c5r n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1c5r s GLN 221 N -4.45 3.75 0.22 0.00 -1.52 -1.26 -1.04 119.66 115.36 1c5r s GLN 221 Ca 0.00 0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 53.90 1c5r s GLN 221 Cb 0.00 -2.14 -0.09 0.00 -0.22 0.00 0.00 33.01 30.56 1c5r s GLN 221 CO 0.00 -0.39 1.20 0.21 -0.25 0.00 0.00 175.29 176.05 1c5r s LYS 222 N -4.62 4.50 -1.33 2.91 2.20 -1.26 -2.93 119.74 119.22 1c5r s LYS 222 Ca 0.56 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1c5r s LYS 222 Cb -0.10 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1c5r s LYS 222 CO 0.43 -0.05 0.00 0.09 -0.36 0.00 0.00 175.35 175.46 1c5r n ASN 223 N 2.13 -5.46 -3.41 1.43 3.02 0.11 -4.91 115.26 108.17 1c5r n ASN 223 Ca 0.03 0.31 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 1c5r n ASN 223 Cb 0.44 -4.06 -0.09 0.00 -0.61 0.00 0.00 39.78 35.47 1c5r n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1c5r n LYS 224 N -1.37 1.51 -0.83 3.52 4.76 -1.15 -4.71 118.16 119.88 1c5r n LYS 224 Ca -0.13 -3.96 -0.29 0.00 -2.87 0.00 0.00 58.31 51.07 1c5r n LYS 224 Cb 0.57 -1.84 0.23 0.00 -1.84 0.00 0.00 35.03 32.15 1c5r n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1c5r s PRO 225 N -1.56 -0.60 0.52 1.97 0.04 -1.26 -4.24 135.00 129.87 1c5r s PRO 225 Ca 0.35 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 1c5r s PRO 225 Cb 0.11 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.98 1c5r s PRO 225 CO -0.09 -3.44 0.92 0.20 0.04 0.00 0.00 177.00 174.63 1c5r s GLY 226 N -3.04 1.83 -0.09 0.56 0.00 -1.14 -4.56 107.32 100.87 1c5r s GLY 226 Ca 0.67 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 45.34 1c5r s GLY 226 CO 0.61 0.15 -0.21 0.14 0.00 0.00 0.00 173.10 173.79 1c5r s VAL 227 N -2.76 2.41 0.08 1.40 1.01 0.61 -2.51 120.40 120.64 1c5r s VAL 227 Ca 0.54 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1c5r s VAL 227 Cb -0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1c5r s VAL 227 CO 0.40 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.51 1c5r s TYR 228 N 0.07 2.11 0.19 5.22 2.02 0.15 -1.79 117.35 125.31 1c5r s TYR 228 Ca -0.09 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1c5r s TYR 228 Cb -0.15 -1.21 -0.09 0.00 -0.40 0.00 0.00 41.96 40.11 1c5r s TYR 228 CO 0.06 0.20 1.35 0.99 -1.57 0.00 0.00 175.55 176.58 1c5r s THR 229 N -0.94 3.11 -0.89 -0.71 2.01 -0.50 -1.69 115.64 116.03 1c5r s THR 229 Ca 0.10 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 62.79 1c5r s THR 229 Cb -0.10 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 68.95 1c5r s THR 229 CO 0.04 0.12 1.15 -0.75 -0.69 0.00 0.00 174.62 174.49 1c5r s LYS 230 N 0.11 3.51 0.38 4.92 2.20 -0.34 -2.78 119.74 127.73 1c5r s LYS 230 Ca 0.59 -1.48 0.10 0.00 -0.36 0.00 0.00 55.97 54.82 1c5r s LYS 230 Cb -0.38 -4.86 0.86 0.00 -1.51 0.00 0.00 37.83 31.95 1c5r s LYS 230 CO 0.37 -1.85 1.92 0.28 -0.36 0.00 0.00 175.35 175.71 1c5r h VAL 231 N 6.02 0.89 -0.13 4.02 2.07 -1.68 -2.56 116.25 124.88 1c5r h VAL 231 Ca 0.08 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1c5r h VAL 231 Cb 1.03 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1c5r h VAL 231 CO 1.17 0.11 0.34 0.00 0.02 0.00 0.00 177.57 179.21 1c5r n ASN 233 N -3.21 0.32 -0.16 0.00 3.02 -0.96 -4.04 115.26 110.22 1c5r n ASN 233 Ca 0.01 -0.21 0.02 0.00 -0.03 0.00 0.00 54.58 54.36 1c5r n ASN 233 Cb 0.43 -0.14 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1c5r n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1c5r n TYR 234 N -1.21 0.07 -0.23 3.10 4.01 0.09 -4.77 117.16 118.22 1c5r n TYR 234 Ca 0.11 -0.25 -0.01 0.00 -0.16 0.00 0.00 57.90 57.59 1c5r n TYR 234 Cb 0.30 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 39.42 1c5r n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1c5r h VAL 235 N 0.63 0.92 -0.47 -0.72 2.07 -1.69 0.16 116.25 117.15 1c5r h VAL 235 Ca 0.00 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1c5r h VAL 235 Cb 0.36 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1c5r h VAL 235 CO 0.00 0.11 0.01 0.77 0.02 0.00 0.00 177.57 178.48 1c5r h SER 236 N 0.63 0.80 -0.68 0.57 4.64 -1.90 -0.31 113.55 117.31 1c5r h SER 236 Ca 0.31 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1c5r h SER 236 Cb 0.25 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1c5r h SER 236 CO -0.22 0.91 0.40 -0.25 -0.87 0.00 0.00 176.83 176.80 1c5r h TRP 237 N 0.67 0.90 0.33 4.77 7.01 -1.73 -0.24 115.95 127.66 1c5r h TRP 237 Ca 0.13 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1c5r h TRP 237 Cb 0.49 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1c5r h TRP 237 CO 0.04 0.62 -0.16 0.82 -2.79 0.00 0.00 178.44 176.97 1c5r h ILE 238 N 0.93 0.69 -0.75 2.65 2.04 -0.43 -0.19 117.51 122.46 1c5r h ILE 238 Ca 0.24 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1c5r h ILE 238 Cb -0.01 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1c5r h ILE 238 CO -0.04 0.07 0.42 0.11 0.00 0.00 0.00 178.15 178.71 1c5r h LYS 239 N -0.62 0.74 -0.36 2.37 1.57 -0.89 0.42 116.57 119.79 1c5r h LYS 239 Ca -0.05 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1c5r h LYS 239 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1c5r h LYS 239 CO 0.07 0.49 -0.14 0.37 -0.57 0.00 0.00 179.45 179.67 1c5r h GLN 240 N 0.76 0.73 -0.21 3.15 4.15 -0.99 -2.47 115.11 120.22 1c5r h GLN 240 Ca 0.34 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1c5r h GLN 240 Cb 0.24 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1c5r h GLN 240 CO -0.20 0.91 -0.03 1.15 -1.93 0.00 0.00 178.83 178.72 1c5r h THR 241 N 0.51 1.28 -0.02 2.39 2.02 -0.52 -2.80 112.91 115.76 1c5r h THR 241 Ca 0.08 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1c5r h THR 241 Cb 0.68 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1c5r h THR 241 CO 0.05 0.30 -0.37 0.16 0.37 0.00 0.00 175.52 176.03 1c5r h ILE 242 N 0.13 1.27 0.00 3.11 3.07 -0.94 -2.14 117.51 122.01 1c5r h ILE 242 Ca 0.06 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.18 1c5r h ILE 242 Cb 0.46 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1c5r h ILE 242 CO 0.02 0.37 0.00 0.00 -1.05 0.00 0.00 178.15 177.49 1c5r n ALA 243 N -2.47 2.05 -0.37 0.16 0.00 -0.93 -3.03 120.51 115.92 1c5r n ALA 243 Ca -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1c5r n ALA 243 Cb 0.41 -1.43 0.21 0.00 0.00 0.00 0.00 19.45 18.64 1c5r n ALA 243 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1c5r n SER 244 N -2.11 3.41 0.00 0.00 7.64 -0.83 -5.09 113.62 116.64 1c5r n SER 244 Ca 0.05 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1c5r n SER 244 Cb 0.34 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1c5r n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62