#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3l n ILE 2 N 0.00 0.43 -3.59 0.53 5.41 -1.26 -4.99 119.36 115.89 1r3l n ILE 2 Ca 0.00 -0.08 -0.36 0.00 1.00 0.00 0.00 62.75 63.31 1r3l n ILE 2 Cb 0.00 -2.13 -0.07 0.00 -0.71 0.00 0.00 39.64 36.73 1r3l n ILE 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1r3l s LEU 3 N 3.00 4.25 -0.22 1.39 2.96 -1.26 -4.81 118.68 123.99 1r3l s LEU 3 Ca 0.83 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1r3l s LEU 3 Cb -0.49 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1r3l s LEU 3 CO 0.39 0.13 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.74 1r3l s LEU 4 N 0.34 2.85 -0.22 -0.68 1.43 -1.26 -1.13 118.68 120.02 1r3l s LEU 4 Ca 0.15 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1r3l s LEU 4 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1r3l s LEU 4 CO 0.03 -0.02 0.07 -0.89 0.23 0.00 0.00 176.35 175.77 1r3l s THR 5 N 1.45 4.55 -0.34 5.49 2.01 0.34 -4.13 115.64 125.01 1r3l s THR 5 Ca 0.05 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1r3l s THR 5 Cb -0.14 -3.09 0.08 0.00 0.01 0.00 0.00 72.50 69.36 1r3l s THR 5 CO -0.04 0.39 0.06 -1.10 -0.69 0.00 0.00 174.62 173.24 1r3l s GLN 6 N 1.05 2.11 -0.02 4.92 -0.21 -1.26 -1.05 119.66 125.21 1r3l s GLN 6 Ca 0.04 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.88 1r3l s GLN 6 Cb -0.14 -3.28 0.01 0.00 1.00 0.00 0.00 33.01 30.61 1r3l s GLN 6 CO 0.03 -0.81 -0.01 0.45 -2.12 0.00 0.00 175.29 172.84 1r3l s SER 7 N 1.35 0.28 0.90 5.90 0.15 -1.26 -4.21 113.70 116.81 1r3l s SER 7 Ca 0.01 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 1r3l s SER 7 Cb -0.21 -0.11 0.13 0.00 -1.71 0.00 0.00 66.02 64.13 1r3l s SER 7 CO -0.04 -0.05 1.09 -2.16 1.20 0.00 0.00 173.24 173.29 1r3l s PRO 8 N 0.53 1.20 0.15 5.44 0.04 -1.26 -4.51 135.00 136.59 1r3l s PRO 8 Ca -0.05 0.82 0.08 0.00 0.04 0.00 0.00 61.00 61.89 1r3l s PRO 8 Cb -0.08 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1r3l s PRO 8 CO -0.01 -2.28 1.34 0.00 0.04 0.00 0.00 177.00 176.09 1r3l h ALA 9 N -1.58 0.46 -4.04 8.56 0.00 -1.84 -3.44 119.26 117.38 1r3l h ALA 9 Ca -0.50 -0.85 -0.47 0.00 0.00 0.00 0.00 54.91 53.10 1r3l h ALA 9 Cb 1.29 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 1r3l h ALA 9 CO 0.54 1.16 -0.80 0.42 0.00 0.00 0.00 179.25 180.57 1r3l s ILE 10 N -2.86 1.11 -0.06 0.00 1.01 -1.26 -0.77 121.20 118.37 1r3l s ILE 10 Ca 0.01 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1r3l s ILE 10 Cb 0.10 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1r3l s ILE 10 CO 0.81 0.20 -0.07 -0.22 0.00 0.00 0.00 174.94 175.66 1r3l s LEU 11 N -0.63 1.32 -0.13 2.97 2.96 -0.10 -4.93 118.68 120.13 1r3l s LEU 11 Ca 0.04 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1r3l s LEU 11 Cb -0.06 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.01 1r3l s LEU 11 CO 0.00 -0.05 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.40 1r3l s SER 12 N 1.06 3.96 0.07 3.68 0.01 -1.26 0.19 113.70 121.42 1r3l s SER 12 Ca -0.08 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 1r3l s SER 12 Cb -0.14 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1r3l s SER 12 CO -0.01 0.16 0.07 0.54 0.41 0.00 0.00 173.24 174.42 1r3l s VAL 13 N 0.38 0.18 0.21 3.43 0.11 -0.57 -4.96 120.40 119.17 1r3l s VAL 13 Ca -0.11 -1.51 -0.09 0.00 -2.93 0.00 0.00 61.98 57.34 1r3l s VAL 13 Cb -0.16 -1.43 -0.07 0.00 -1.53 0.00 0.00 36.38 33.19 1r3l s VAL 13 CO 0.06 -0.83 0.52 -0.44 -3.33 0.00 0.00 175.10 171.07 1r3l s SER 14 N -2.89 6.60 0.32 3.54 0.01 -1.26 -0.27 113.70 119.75 1r3l s SER 14 Ca 0.06 0.86 -0.26 0.00 1.31 0.00 0.00 55.95 57.92 1r3l s SER 14 Cb 0.07 -2.20 -0.14 0.00 0.21 0.00 0.00 66.02 63.96 1r3l s SER 14 CO -0.10 -0.05 0.81 -2.65 0.41 0.00 0.00 173.24 171.66 1r3l n PRO 15 N -0.08 0.93 0.00 12.44 -0.02 -1.26 -2.22 135.00 144.79 1r3l n PRO 15 Ca -0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1r3l n PRO 15 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1r3l n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3l n GLY 16 N 1.48 2.53 3.89 -1.23 0.00 -0.06 -4.90 105.19 106.91 1r3l n GLY 16 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1r3l n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3l s GLU 17 N 0.00 2.06 -0.12 1.61 -1.05 -0.94 -3.50 118.70 116.76 1r3l s GLU 17 Ca 0.00 0.17 -0.15 0.00 -0.15 0.00 0.00 54.97 54.84 1r3l s GLU 17 Cb 0.00 -1.96 -0.05 0.00 -0.44 0.00 0.00 34.13 31.69 1r3l s GLU 17 CO 0.00 -1.54 0.36 0.50 0.95 0.00 0.00 175.26 175.53 1r3l s ARG 18 N -5.53 4.21 0.10 -4.83 3.52 -1.26 -0.69 118.95 114.47 1r3l s ARG 18 Ca 0.61 0.25 0.10 0.00 -0.13 0.00 0.00 55.73 56.56 1r3l s ARG 18 Cb -0.11 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1r3l s ARG 18 CO 0.50 0.29 -0.25 0.54 -0.81 0.00 0.00 175.30 175.57 1r3l s VAL 19 N 0.25 2.03 -0.09 7.11 0.11 -0.47 -4.94 120.40 124.40 1r3l s VAL 19 Ca 0.21 -1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1r3l s VAL 19 Cb -0.14 -1.79 0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1r3l s VAL 19 CO 0.07 0.11 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.48 1r3l s SER 20 N -1.77 1.86 -0.05 3.54 0.01 -1.26 -1.25 113.70 114.78 1r3l s SER 20 Ca 0.11 -0.19 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 1r3l s SER 20 Cb -0.10 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 1r3l s SER 20 CO 0.04 -0.15 0.36 -0.36 0.41 0.00 0.00 173.24 173.55 1r3l s PHE 21 N 1.80 3.66 0.05 2.43 0.40 0.54 -4.92 117.98 121.94 1r3l s PHE 21 Ca 0.04 0.88 0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1r3l s PHE 21 Cb -0.12 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1r3l s PHE 21 CO -0.06 0.57 0.09 0.45 0.70 0.00 0.00 175.22 176.97 1r3l s SER 22 N -0.74 5.65 -0.15 1.36 0.15 -1.26 -1.54 113.70 117.17 1r3l s SER 22 Ca 0.22 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 1r3l s SER 22 Cb -0.15 -1.57 0.08 0.00 -1.71 0.00 0.00 66.02 62.66 1r3l s SER 22 CO 0.11 0.20 0.27 0.00 1.20 0.00 0.00 173.24 175.01 1r3l s ARG 24 N 2.41 3.06 -0.04 0.00 3.52 -0.22 -0.87 118.95 126.82 1r3l s ARG 24 Ca 0.03 -0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1r3l s ARG 24 Cb -0.13 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.71 1r3l s ARG 24 CO -0.10 0.33 0.27 0.00 -0.81 0.00 0.00 175.30 174.99 1r3l s ALA 25 N 0.04 3.81 0.49 6.12 0.00 0.71 -0.50 121.76 132.42 1r3l s ALA 25 Ca -0.06 -0.48 0.40 0.00 0.00 0.00 0.00 51.96 51.83 1r3l s ALA 25 Cb -0.15 -2.14 2.06 0.00 0.00 0.00 0.00 23.12 22.89 1r3l s ALA 25 CO 0.05 0.58 2.24 0.66 0.00 0.00 0.00 175.76 179.29 1r3l h SER 26 N 4.56 0.00 -5.54 0.00 4.64 -1.46 -3.44 113.55 112.31 1r3l h SER 26 Ca -0.52 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.56 1r3l h SER 26 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1r3l h SER 26 CO 0.62 0.01 -0.39 0.00 -0.87 0.00 0.00 176.83 176.20 1r3l s GLN 27 N -4.03 1.51 -0.07 4.77 -2.07 -1.26 -4.99 119.66 113.51 1r3l s GLN 27 Ca -0.03 -1.62 -0.30 0.00 -1.82 0.00 0.00 55.36 51.59 1r3l s GLN 27 Cb 0.12 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1r3l s GLN 27 CO 0.46 -0.57 1.28 0.45 -1.32 0.00 0.00 175.29 175.59 1r3l s SER 28 N -3.17 6.96 -0.19 12.60 0.15 -1.26 -4.57 113.70 124.22 1r3l s SER 28 Ca 0.33 1.86 0.13 0.00 0.70 0.00 0.00 55.95 58.97 1r3l s SER 28 Cb 0.03 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.19 1r3l s SER 28 CO 0.15 -0.67 1.21 2.30 1.20 0.00 0.00 173.24 177.43 1r3l n ILE 29 N 4.86 2.04 0.00 6.45 -5.35 0.13 -4.98 119.36 122.52 1r3l n ILE 29 Ca 0.12 -3.00 0.00 0.00 -0.27 0.00 0.00 62.75 59.60 1r3l n ILE 29 Cb 0.45 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1r3l n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3l n GLY 30 N -1.06 4.06 0.41 3.28 0.00 -1.25 -1.89 105.19 108.74 1r3l n GLY 30 Ca 0.18 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.43 1r3l n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3l n THR 31 N 0.00 1.45 -1.56 2.61 -2.24 -1.26 0.11 114.28 113.38 1r3l n THR 31 Ca 0.00 -1.98 -0.38 0.00 -2.27 0.00 0.00 64.05 59.43 1r3l n THR 31 Cb 0.00 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1r3l n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r3l n ASP 32 N -0.92 8.27 -4.18 3.42 10.43 -0.79 -2.94 116.55 129.84 1r3l n ASP 32 Ca 0.13 -2.81 -0.24 0.00 2.57 0.00 0.00 54.79 54.44 1r3l n ASP 32 Cb 0.71 -1.47 -0.15 0.00 1.84 0.00 0.00 41.12 42.06 1r3l n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1r3l s ILE 33 N 0.69 1.40 0.04 0.53 1.10 -1.26 -1.88 121.20 121.81 1r3l s ILE 33 Ca 0.63 -0.91 0.04 0.00 -0.51 0.00 0.00 60.65 59.90 1r3l s ILE 33 Cb 0.19 -1.20 -0.02 0.00 0.15 0.00 0.00 42.46 41.59 1r3l s ILE 33 CO -0.08 0.26 -0.11 -1.00 -2.11 0.00 0.00 174.94 171.91 1r3l s HIS 34 N -0.59 0.98 -0.06 3.50 3.76 0.58 -0.00 115.29 123.45 1r3l s HIS 34 Ca 0.06 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1r3l s HIS 34 Cb -0.07 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 33.01 1r3l s HIS 34 CO 0.00 0.00 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.17 1r3l s TRP 35 N -0.90 2.70 0.12 1.40 0.52 0.60 -0.96 118.94 122.43 1r3l s TRP 35 Ca -0.01 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 55.97 1r3l s TRP 35 Cb -0.08 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1r3l s TRP 35 CO 0.01 0.15 -0.17 0.71 0.02 0.00 0.00 176.95 177.67 1r3l s TYR 36 N -0.64 1.58 -0.08 -1.98 1.51 0.03 0.12 117.35 117.89 1r3l s TYR 36 Ca 0.09 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1r3l s TYR 36 Cb -0.11 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1r3l s TYR 36 CO 0.01 0.19 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.32 1r3l s GLN 37 N -2.36 2.87 -0.19 -0.62 0.74 0.51 -1.82 119.66 118.79 1r3l s GLN 37 Ca 0.08 -0.77 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 1r3l s GLN 37 Cb -0.07 -2.39 0.06 0.00 1.10 0.00 0.00 33.01 31.71 1r3l s GLN 37 CO 0.04 0.37 0.03 -1.14 -0.55 0.00 0.00 175.29 174.04 1r3l s GLN 38 N -0.09 0.67 0.68 1.67 0.74 -0.24 -0.33 119.66 122.77 1r3l s GLN 38 Ca -0.04 -0.40 -0.08 0.00 0.05 0.00 0.00 55.36 54.89 1r3l s GLN 38 Cb -0.14 -2.06 0.03 0.00 1.10 0.00 0.00 33.01 31.94 1r3l s GLN 38 CO 0.04 -0.62 1.02 1.03 -0.55 0.00 0.00 175.29 176.20 1r3l s ARG 39 N 1.86 2.60 -0.03 1.67 0.52 -1.26 -1.71 118.95 122.60 1r3l s ARG 39 Ca -0.01 0.07 -0.36 0.00 -0.52 0.00 0.00 55.73 54.91 1r3l s ARG 39 Cb -0.17 -2.14 -0.14 0.00 0.52 0.00 0.00 34.95 33.02 1r3l s ARG 39 CO -0.08 -1.03 1.68 2.41 0.02 0.00 0.00 175.30 178.29 1r3l n THR 40 N -2.87 0.27 -0.09 0.02 -1.04 -1.26 -1.29 114.28 108.01 1r3l n THR 40 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1r3l n THR 40 Cb 0.59 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1r3l n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3l n ASN 41 N 4.78 0.00 -4.68 8.00 3.02 -1.26 -4.99 115.26 120.14 1r3l n ASN 41 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 1r3l n ASN 41 Cb 0.24 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 38.84 1r3l n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1r3l s GLY 42 N -2.00 1.76 0.28 7.41 0.00 -0.41 -5.10 107.32 109.26 1r3l s GLY 42 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.26 1r3l s GLY 42 CO 0.00 -0.98 0.42 -1.35 0.00 0.00 0.00 173.10 171.19 1r3l s SER 43 N -4.69 6.22 0.65 1.64 1.04 -1.26 -4.67 113.70 112.63 1r3l s SER 43 Ca 0.65 0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.96 1r3l s SER 43 Cb -0.06 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 1r3l s SER 43 CO 0.45 -0.20 1.25 -2.65 0.98 0.00 0.00 173.24 173.07 1r3l n PRO 44 N -1.53 1.06 -3.96 4.02 -0.02 -1.26 -4.62 135.00 128.68 1r3l n PRO 44 Ca -0.06 0.42 -0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1r3l n PRO 44 Cb 0.57 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1r3l n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3l s ARG 45 N -3.33 0.50 0.13 -0.52 3.52 0.55 -4.92 118.95 114.87 1r3l s ARG 45 Ca 0.82 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 56.15 1r3l s ARG 45 Cb -0.38 -0.68 -0.10 0.00 -1.56 0.00 0.00 34.95 32.24 1r3l s ARG 45 CO 0.41 -0.16 1.66 -1.17 -0.81 0.00 0.00 175.30 175.24 1r3l s LEU 46 N 1.21 4.37 -0.16 -0.88 2.96 -1.26 -0.37 118.68 124.55 1r3l s LEU 46 Ca -0.07 2.63 -0.07 0.00 -0.22 0.00 0.00 54.13 56.40 1r3l s LEU 46 Cb -0.13 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1r3l s LEU 46 CO -0.02 -0.89 -0.20 0.18 -1.32 0.00 0.00 176.35 174.10 1r3l n LEU 47 N 4.83 1.40 -3.91 -0.68 4.77 0.12 -4.90 117.00 118.63 1r3l n LEU 47 Ca 0.15 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1r3l n LEU 47 Cb 0.39 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 1r3l n LEU 47 CO 0.63 0.40 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.09 1r3l s ILE 48 N -2.30 0.13 0.09 -0.08 -1.09 -1.14 -3.82 121.20 112.98 1r3l s ILE 48 Ca -0.23 -0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.06 1r3l s ILE 48 Cb 0.08 -0.14 -0.03 0.00 -1.58 0.00 0.00 42.46 40.79 1r3l s ILE 48 CO 0.30 -0.06 -0.22 -1.59 -1.23 0.00 0.00 174.94 172.13 1r3l s LYS 49 N -0.29 1.31 -1.36 2.79 -2.85 -0.83 -0.29 119.74 118.21 1r3l s LYS 49 Ca -0.02 -1.13 -0.03 0.00 -1.00 0.00 0.00 55.97 53.79 1r3l s LYS 49 Cb -0.02 -1.57 0.02 0.00 -2.06 0.00 0.00 37.83 34.20 1r3l s LYS 49 CO -0.00 0.38 0.73 0.66 0.10 0.00 0.00 175.35 177.21 1r3l n TYR 50 N 1.33 -1.96 0.00 1.78 4.02 -0.49 -1.47 117.16 120.37 1r3l n TYR 50 Ca -0.18 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.55 1r3l n TYR 50 Cb 0.53 -4.24 0.00 0.00 -0.02 0.00 0.00 39.34 35.61 1r3l n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r3l n ALA 51 N -4.37 0.00 -0.89 -0.72 0.00 0.99 -4.05 120.51 111.48 1r3l n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1r3l n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1r3l n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r3l n SER 52 N 0.59 0.00 -4.68 0.00 3.41 -1.20 -2.73 113.62 109.01 1r3l n SER 52 Ca 0.00 -0.88 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 1r3l n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1r3l n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r3l s GLU 53 N 0.00 4.36 0.53 4.33 2.02 -0.54 -4.54 118.70 124.85 1r3l s GLU 53 Ca 0.00 1.41 -0.19 0.00 0.02 0.00 0.00 54.97 56.21 1r3l s GLU 53 Cb 0.00 -3.58 -0.07 0.00 0.10 0.00 0.00 34.13 30.58 1r3l s GLU 53 CO 0.00 -0.44 1.07 -1.54 0.02 0.00 0.00 175.26 174.36 1r3l s SER 54 N 1.19 6.02 -0.09 -0.19 1.04 -1.26 -1.97 113.70 118.43 1r3l s SER 54 Ca 0.48 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 1r3l s SER 54 Cb -0.18 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 1r3l s SER 54 CO 0.14 -1.01 -0.02 -0.63 0.98 0.00 0.00 173.24 172.71 1r3l s ILE 55 N -2.03 4.14 0.30 -1.02 -1.09 -1.25 -4.90 121.20 115.34 1r3l s ILE 55 Ca 0.68 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.50 1r3l s ILE 55 Cb -0.18 -2.74 -0.10 0.00 -1.58 0.00 0.00 42.46 37.85 1r3l s ILE 55 CO 0.26 0.58 1.32 -0.94 -1.23 0.00 0.00 174.94 174.93 1r3l s SER 56 N -0.66 6.80 0.00 3.58 1.04 -1.26 -2.47 113.70 120.73 1r3l s SER 56 Ca 0.10 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1r3l s SER 56 Cb -0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1r3l s SER 56 CO 0.02 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1r3l n GLY 57 N 1.25 0.38 3.61 7.32 0.00 -1.26 -5.05 105.19 111.44 1r3l n GLY 57 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1r3l n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r3l s ILE 58 N -2.13 4.65 0.29 -0.61 -1.09 -1.03 -5.06 121.20 116.21 1r3l s ILE 58 Ca 0.00 -0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.07 1r3l s ILE 58 Cb 0.00 -3.09 -0.15 0.00 -1.58 0.00 0.00 42.46 37.64 1r3l s ILE 58 CO 0.00 0.46 0.71 -2.65 -1.23 0.00 0.00 174.94 172.23 1r3l n PRO 59 N 3.60 0.66 0.00 2.79 -0.02 -1.26 -4.79 135.00 135.99 1r3l n PRO 59 Ca -0.17 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1r3l n PRO 59 Cb 0.52 -1.44 0.23 0.00 -0.02 0.00 0.00 33.50 32.78 1r3l n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1r3l n SER 60 N 1.55 0.00 0.25 2.55 3.41 -1.26 -2.17 113.62 117.95 1r3l n SER 60 Ca 0.13 0.26 0.16 0.00 -0.26 0.00 0.00 58.87 59.16 1r3l n SER 60 Cb 0.31 -0.35 0.66 0.00 -0.26 0.00 0.00 64.21 64.57 1r3l n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1r3l h ARG 61 N 0.00 0.00 -5.55 4.33 2.43 -1.89 -3.43 114.38 110.26 1r3l h ARG 61 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 1r3l h ARG 61 Cb 0.11 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.57 1r3l h ARG 61 CO 0.00 0.00 -0.31 -0.06 -1.51 0.00 0.00 179.97 178.09 1r3l s PHE 62 N -3.61 3.49 0.10 2.20 0.08 -0.92 -1.22 117.98 118.11 1r3l s PHE 62 Ca 0.02 0.64 -0.08 0.00 0.12 0.00 0.00 56.93 57.63 1r3l s PHE 62 Cb 0.09 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1r3l s PHE 62 CO 0.51 0.30 0.19 -1.54 -0.10 0.00 0.00 175.22 174.57 1r3l s SER 63 N 0.27 0.14 0.08 1.36 1.04 -0.69 -4.99 113.70 110.91 1r3l s SER 63 Ca 0.17 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1r3l s SER 63 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1r3l s SER 63 CO 0.05 -0.75 -0.07 -0.83 0.98 0.00 0.00 173.24 172.62 1r3l s GLY 64 N -2.89 0.66 0.22 7.32 0.00 -1.26 -0.20 107.32 111.17 1r3l s GLY 64 Ca 0.08 -1.15 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 1r3l s GLY 64 CO -0.08 -1.24 0.44 -1.35 0.00 0.00 0.00 173.10 170.87 1r3l s SER 65 N -2.55 -0.10 0.00 1.64 1.04 -0.31 -4.33 113.70 109.08 1r3l s SER 65 Ca 0.04 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1r3l s SER 65 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1r3l s SER 65 CO -0.03 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1r3l n GLY 66 N -0.33 2.50 3.59 7.32 0.00 -1.26 -1.06 105.19 115.94 1r3l n GLY 66 Ca -0.05 -2.14 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 1r3l n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3l s SER 67 N 0.00 -0.18 0.05 1.61 1.04 -0.98 -4.86 113.70 110.38 1r3l s SER 67 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1r3l s SER 67 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1r3l s SER 67 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1r3l n GLY 68 N 0.13 1.81 0.00 7.32 0.00 0.12 -3.58 105.19 110.98 1r3l n GLY 68 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1r3l n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3l n THR 69 N 0.00 0.00 -4.80 2.61 -2.24 -1.26 0.19 114.28 108.78 1r3l n THR 69 Ca 0.00 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 1r3l n THR 69 Cb 0.00 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 1r3l n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1r3l s ASP 70 N -1.09 3.91 0.02 3.42 1.01 -1.24 -0.21 116.67 122.50 1r3l s ASP 70 Ca 0.00 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.91 1r3l s ASP 70 Cb 0.00 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.32 1r3l s ASP 70 CO 0.00 0.16 -0.04 -0.36 0.21 0.00 0.00 175.17 175.14 1r3l s PHE 71 N 0.38 0.38 -0.00 4.23 0.40 -0.05 -2.32 117.98 121.00 1r3l s PHE 71 Ca -0.11 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 1r3l s PHE 71 Cb -0.16 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.12 1r3l s PHE 71 CO 0.06 -0.13 -0.07 0.99 0.70 0.00 0.00 175.22 176.77 1r3l s THR 72 N -1.25 0.52 -0.15 0.64 2.01 -0.23 -1.07 115.64 116.11 1r3l s THR 72 Ca -0.12 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 1r3l s THR 72 Cb -0.09 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 1r3l s THR 72 CO -0.00 0.11 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.69 1r3l s LEU 73 N -0.25 2.68 0.16 4.42 2.96 -0.59 -1.16 118.68 126.90 1r3l s LEU 73 Ca 0.02 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1r3l s LEU 73 Cb -0.03 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1r3l s LEU 73 CO -0.00 0.12 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.48 1r3l s SER 74 N 0.60 3.14 -0.15 3.68 0.01 0.72 -0.34 113.70 121.36 1r3l s SER 74 Ca -0.08 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 1r3l s SER 74 Cb -0.16 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 65.91 1r3l s SER 74 CO 0.03 0.10 -0.02 -0.63 0.41 0.00 0.00 173.24 173.13 1r3l s ILE 75 N -1.52 0.76 -0.38 1.44 1.01 -0.38 -1.70 121.20 120.43 1r3l s ILE 75 Ca 0.16 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 1r3l s ILE 75 Cb -0.08 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1r3l s ILE 75 CO 0.08 0.08 1.07 0.20 0.00 0.00 0.00 174.94 176.36 1r3l s ASN 76 N 1.78 6.78 -0.45 3.58 0.02 -0.36 -1.37 114.94 124.93 1r3l s ASN 76 Ca 0.02 0.76 -0.05 0.00 -1.02 0.00 0.00 52.86 52.56 1r3l s ASN 76 Cb -0.15 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.60 1r3l s ASN 76 CO -0.07 -1.00 0.49 -0.24 0.02 0.00 0.00 177.10 176.29 1r3l n SER 77 N 7.18 -6.35 -4.72 -1.22 2.88 -0.58 -4.87 113.62 105.93 1r3l n SER 77 Ca 0.11 0.14 -0.36 0.00 -1.33 0.00 0.00 58.87 57.43 1r3l n SER 77 Cb 0.48 -4.23 0.09 0.00 -0.75 0.00 0.00 64.21 59.80 1r3l n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1r3l s VAL 78 N -2.66 2.01 0.10 2.46 1.01 0.13 -4.54 120.40 118.91 1r3l s VAL 78 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1r3l s VAL 78 Cb -0.02 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1r3l s VAL 78 CO 0.56 -0.00 0.11 -1.83 0.00 0.00 0.00 175.10 173.94 1r3l s GLU 79 N -3.60 0.85 0.32 2.72 -1.05 -1.26 -0.88 118.70 115.81 1r3l s GLU 79 Ca 0.80 -1.19 0.11 0.00 -0.15 0.00 0.00 54.97 54.54 1r3l s GLU 79 Cb -0.35 0.29 0.99 0.00 -0.44 0.00 0.00 34.13 34.61 1r3l s GLU 79 CO 0.43 -0.25 1.49 0.43 0.95 0.00 0.00 175.26 178.31 1r3l n SER 80 N -0.05 0.10 0.25 0.83 7.64 -1.26 0.21 113.62 121.34 1r3l n SER 80 Ca -0.11 1.59 0.17 0.00 1.01 0.00 0.00 58.87 61.53 1r3l n SER 80 Cb 0.62 -0.67 0.87 0.00 -1.01 0.00 0.00 64.21 64.02 1r3l n SER 80 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1r3l h GLU 81 N 0.00 0.00 0.00 1.43 4.11 -1.77 -1.71 114.58 116.64 1r3l h GLU 81 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.11 1r3l h GLU 81 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1r3l h GLU 81 CO -0.81 0.00 -0.06 -0.25 0.07 0.00 0.00 179.01 177.96 1r3l n ASP 82 N -2.73 0.06 -4.63 3.06 8.00 0.13 -4.82 116.55 115.62 1r3l n ASP 82 Ca -0.01 0.42 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1r3l n ASP 82 Cb 0.11 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1r3l n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r3l n ILE 83 N -1.51 0.58 -1.10 0.53 5.41 -0.64 -4.83 119.36 117.80 1r3l n ILE 83 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1r3l n ILE 83 Cb 0.34 -2.40 0.00 0.00 -0.71 0.00 0.00 39.64 36.87 1r3l n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3l n ALA 84 N 9.27 0.00 -2.74 -1.39 0.00 -1.25 -4.80 120.51 119.60 1r3l n ALA 84 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1r3l n ALA 84 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1r3l n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r3l s ASN 85 N -1.40 6.51 -0.08 0.00 0.02 -0.69 -1.00 114.94 118.29 1r3l s ASN 85 Ca 0.00 0.58 0.02 0.00 -1.02 0.00 0.00 52.86 52.44 1r3l s ASN 85 Cb 0.00 -2.10 0.01 0.00 0.02 0.00 0.00 41.25 39.19 1r3l s ASN 85 CO 0.00 0.23 -0.14 -0.31 0.02 0.00 0.00 177.10 176.90 1r3l s TYR 86 N -1.33 1.70 0.14 2.20 1.51 0.34 -1.07 117.35 120.82 1r3l s TYR 86 Ca 0.29 -0.70 0.11 0.00 -1.01 0.00 0.00 57.07 55.76 1r3l s TYR 86 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1r3l s TYR 86 CO 0.17 -0.36 -0.26 0.71 -1.11 0.00 0.00 175.55 174.70 1r3l s TYR 87 N 0.79 2.25 0.27 2.71 1.51 -0.76 -1.25 117.35 122.87 1r3l s TYR 87 Ca -0.12 -0.38 0.10 0.00 -1.01 0.00 0.00 57.07 55.66 1r3l s TYR 87 Cb -0.16 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1r3l s TYR 87 CO 0.02 0.35 -0.00 0.00 -1.11 0.00 0.00 175.55 174.81 1r3l s GLN 89 N -3.68 0.48 0.09 0.00 -0.44 -0.13 -1.01 119.66 114.98 1r3l s GLN 89 Ca 0.32 0.83 0.03 0.00 -2.50 0.00 0.00 55.36 54.04 1r3l s GLN 89 Cb -0.06 0.07 -0.04 0.00 -1.64 0.00 0.00 33.01 31.34 1r3l s GLN 89 CO 0.20 -0.14 0.07 1.14 0.50 0.00 0.00 175.29 177.06 1r3l s GLN 90 N 1.17 2.84 -0.05 1.67 1.03 -0.65 -0.31 119.66 125.35 1r3l s GLN 90 Ca -0.07 -0.72 0.12 0.00 0.04 0.00 0.00 55.36 54.73 1r3l s GLN 90 Cb -0.07 -2.70 0.23 0.00 0.03 0.00 0.00 33.01 30.50 1r3l s GLN 90 CO -0.11 0.56 1.10 -1.13 -2.54 0.00 0.00 175.29 173.17 1r3l n SER 91 N 0.43 0.92 0.03 12.60 3.41 -0.79 -3.17 113.62 127.05 1r3l n SER 91 Ca -0.09 -2.44 -0.19 0.00 -0.26 0.00 0.00 58.87 55.90 1r3l n SER 91 Cb 0.52 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1r3l n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1r3l h ASN 92 N 0.41 0.69 -4.30 4.04 -1.24 -1.87 -3.46 115.58 109.84 1r3l h ASN 92 Ca -0.06 -0.77 -0.40 0.00 0.71 0.00 0.00 56.30 55.78 1r3l h ASN 92 Cb 1.42 -0.21 -0.25 0.00 0.73 0.00 0.00 38.32 40.00 1r3l h ASN 92 CO 0.03 1.37 -0.78 -0.13 -1.29 0.00 0.00 177.43 176.63 1r3l s ARG 93 N -3.17 0.79 0.20 6.67 0.52 -1.26 -5.13 118.95 117.56 1r3l s ARG 93 Ca -0.12 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 1r3l s ARG 93 Cb 0.05 -0.74 -0.08 0.00 0.52 0.00 0.00 34.95 34.69 1r3l s ARG 93 CO 0.87 0.19 1.05 -0.46 0.02 0.00 0.00 175.30 176.96 1r3l s TRP 94 N -0.73 3.70 0.44 -0.53 -0.00 -1.26 -3.91 118.94 116.64 1r3l s TRP 94 Ca 0.00 1.71 -0.05 0.00 -0.00 0.00 0.00 56.10 57.76 1r3l s TRP 94 Cb -0.07 -3.19 -0.04 0.00 -0.00 0.00 0.00 33.47 30.17 1r3l s TRP 94 CO 0.01 -0.27 0.73 -1.25 -0.00 0.00 0.00 176.95 176.16 1r3l s PRO 95 N -0.66 3.57 0.63 5.86 0.04 -1.26 -4.86 135.00 138.32 1r3l s PRO 95 Ca 0.46 0.14 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 1r3l s PRO 95 Cb -0.28 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1r3l s PRO 95 CO 0.35 -0.10 1.25 -0.06 0.04 0.00 0.00 177.00 178.48 1r3l s PHE 96 N -2.58 2.20 0.04 0.56 2.99 -1.25 -4.76 117.98 115.19 1r3l s PHE 96 Ca 0.46 1.51 -0.01 0.00 0.00 0.00 0.00 56.93 58.89 1r3l s PHE 96 Cb -0.10 -3.59 -0.03 0.00 0.00 0.00 0.00 43.02 39.29 1r3l s PHE 96 CO 0.41 -2.62 -0.03 0.95 -0.00 0.00 0.00 175.22 173.93 1r3l s THR 97 N -1.53 0.19 0.21 0.64 -4.23 -1.19 -4.99 115.64 104.75 1r3l s THR 97 Ca 0.80 -1.55 0.09 0.00 -1.18 0.00 0.00 61.69 59.85 1r3l s THR 97 Cb -0.34 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 1r3l s THR 97 CO 0.37 -0.85 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.18 1r3l s PHE 98 N -3.20 2.66 0.66 3.99 0.08 -1.26 -1.64 117.98 119.26 1r3l s PHE 98 Ca 0.00 -0.22 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 1r3l s PHE 98 Cb 0.03 -1.25 0.05 0.00 -0.57 0.00 0.00 43.02 41.28 1r3l s PHE 98 CO -0.07 0.56 0.95 0.20 -0.10 0.00 0.00 175.22 176.76 1r3l s GLY 99 N -3.17 1.70 0.28 4.36 0.00 -0.18 -4.58 107.32 105.74 1r3l s GLY 99 Ca 0.28 -0.96 0.25 0.00 0.00 0.00 0.00 44.72 44.28 1r3l s GLY 99 CO 0.17 -0.60 1.75 1.48 0.00 0.00 0.00 173.10 175.90 1r3l h SER 100 N -0.41 0.00 -4.59 1.64 4.64 -1.90 -3.43 113.55 109.50 1r3l h SER 100 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r3l h SER 100 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1r3l h SER 100 CO 0.59 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1r3l n GLY 101 N 0.35 0.20 2.90 -0.77 0.00 -1.26 -5.04 105.19 101.56 1r3l n GLY 101 Ca 0.03 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 1r3l n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r3l s THR 102 N -2.87 0.58 -0.00 2.61 2.01 -0.38 -4.71 115.64 112.88 1r3l s THR 102 Ca 0.00 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 1r3l s THR 102 Cb 0.00 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1r3l s THR 102 CO 0.00 0.23 0.52 -1.59 -0.69 0.00 0.00 174.62 173.09 1r3l s LYS 103 N 0.91 4.18 -0.15 4.92 0.00 0.05 -0.51 119.74 129.14 1r3l s LYS 103 Ca -0.11 0.60 -0.09 0.00 0.00 0.00 0.00 55.97 56.36 1r3l s LYS 103 Cb -0.14 -3.30 -0.05 0.00 0.00 0.00 0.00 37.83 34.34 1r3l s LYS 103 CO 0.00 0.50 0.17 -1.17 0.00 0.00 0.00 175.35 174.85 1r3l s LEU 104 N -0.55 4.30 -0.06 2.77 2.96 -0.17 -0.93 118.68 127.00 1r3l s LEU 104 Ca 0.27 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1r3l s LEU 104 Cb -0.18 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.39 1r3l s LEU 104 CO 0.15 0.27 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.68 1r3l s GLU 105 N -0.28 1.22 -0.20 1.98 2.12 0.13 -3.92 118.70 119.75 1r3l s GLU 105 Ca 0.13 -0.24 -0.08 0.00 0.36 0.00 0.00 54.97 55.14 1r3l s GLU 105 Cb -0.12 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.12 1r3l s GLU 105 CO 0.02 -0.05 0.08 0.42 -0.54 0.00 0.00 175.26 175.19 1r3l s ILE 106 N 0.86 4.79 -0.43 -3.70 1.01 -1.26 -1.52 121.20 120.96 1r3l s ILE 106 Ca -0.12 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 1r3l s ILE 106 Cb -0.15 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1r3l s ILE 106 CO 0.01 0.42 0.67 -1.59 0.00 0.00 0.00 174.94 174.45 1r3l s LYS 107 N 0.72 3.37 0.45 2.79 0.00 0.63 -4.93 119.74 122.77 1r3l s LYS 107 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 55.97 55.79 1r3l s LYS 107 Cb -0.13 -3.92 0.02 0.00 0.00 0.00 0.00 37.83 33.80 1r3l s LYS 107 CO 0.02 -0.99 0.19 2.89 0.00 0.00 0.00 175.35 177.46 1r3l n ARG 108 N 6.33 0.86 -1.94 1.78 1.85 -1.26 -4.09 116.66 120.19 1r3l n ARG 108 Ca -0.01 -3.05 -0.37 0.00 -1.00 0.00 0.00 57.85 53.42 1r3l n ARG 108 Cb 0.48 0.55 0.03 0.00 -1.05 0.00 0.00 32.46 32.48 1r3l n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1r3l s ALA 109 N -2.71 2.70 0.27 2.89 0.00 -1.26 -4.94 121.76 118.71 1r3l s ALA 109 Ca 0.15 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 1r3l s ALA 109 Cb -0.01 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1r3l s ALA 109 CO 0.09 -1.21 1.41 -0.51 0.00 0.00 0.00 175.76 175.54 1r3l s ASP 110 N -1.28 6.68 -0.02 0.00 1.11 -1.26 -4.81 116.67 117.10 1r3l s ASP 110 Ca 0.73 2.67 0.02 0.00 0.18 0.00 0.00 52.55 56.15 1r3l s ASP 110 Cb -0.35 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.02 1r3l s ASP 110 CO 0.40 -0.66 -0.07 0.00 1.18 0.00 0.00 175.17 176.02 1r3l s ALA 111 N -0.27 0.62 0.43 5.23 0.00 -0.02 -4.92 121.76 122.84 1r3l s ALA 111 Ca 0.57 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1r3l s ALA 111 Cb -0.41 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 1r3l s ALA 111 CO 0.46 0.11 0.92 0.00 0.00 0.00 0.00 175.76 177.24 1r3l s ALA 112 N 0.13 3.10 0.48 0.00 0.00 -1.26 -0.90 121.76 123.32 1r3l s ALA 112 Ca -0.01 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 1r3l s ALA 112 Cb -0.06 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1r3l s ALA 112 CO -0.00 0.09 1.02 -1.25 0.00 0.00 0.00 175.76 175.62 1r3l s PRO 113 N -3.33 3.86 -0.42 0.00 0.04 -1.26 -4.48 135.00 129.42 1r3l s PRO 113 Ca 0.60 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 1r3l s PRO 113 Cb -0.09 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1r3l s PRO 113 CO 0.17 -0.37 0.30 0.99 0.04 0.00 0.00 177.00 178.14 1r3l s THR 114 N -2.10 4.92 -0.04 1.26 2.01 -0.30 -4.87 115.64 116.51 1r3l s THR 114 Ca 0.65 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 1r3l s THR 114 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1r3l s THR 114 CO 0.20 -0.41 0.41 -0.69 -0.69 0.00 0.00 174.62 173.45 1r3l s VAL 115 N 1.60 5.09 -0.02 3.82 1.01 -1.25 -2.00 120.40 128.63 1r3l s VAL 115 Ca 0.04 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1r3l s VAL 115 Cb -0.21 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1r3l s VAL 115 CO 0.07 0.52 0.00 -0.44 0.00 0.00 0.00 175.10 175.25 1r3l s SER 116 N -0.63 0.33 -0.00 3.32 0.01 -0.66 -4.98 113.70 111.08 1r3l s SER 116 Ca 0.23 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.52 1r3l s SER 116 Cb -0.16 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 1r3l s SER 116 CO 0.12 -0.09 -0.13 -0.51 0.41 0.00 0.00 173.24 173.04 1r3l s ILE 117 N 0.90 3.17 -0.09 1.44 2.07 -1.26 -0.39 121.20 127.04 1r3l s ILE 117 Ca -0.09 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.28 1r3l s ILE 117 Cb -0.12 -2.32 0.02 0.00 0.13 0.00 0.00 42.46 40.17 1r3l s ILE 117 CO -0.02 0.45 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.98 1r3l s PHE 118 N -0.88 1.60 0.62 3.50 0.40 0.22 -4.99 117.98 118.44 1r3l s PHE 118 Ca 0.14 -0.68 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 1r3l s PHE 118 Cb -0.11 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1r3l s PHE 118 CO 0.04 -0.38 1.08 -2.14 0.70 0.00 0.00 175.22 174.53 1r3l s PRO 119 N 0.96 3.11 0.58 0.24 0.02 -1.26 -1.84 135.00 136.81 1r3l s PRO 119 Ca -0.09 1.30 -0.20 0.00 0.02 0.00 0.00 61.00 62.03 1r3l s PRO 119 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1r3l s PRO 119 CO -0.00 -0.99 1.33 -1.25 -0.33 0.00 0.00 177.00 175.76 1r3l s PRO 120 N -4.03 2.96 0.52 5.54 0.04 -1.21 -4.85 135.00 133.97 1r3l s PRO 120 Ca 0.65 2.15 -0.20 0.00 0.04 0.00 0.00 61.00 63.65 1r3l s PRO 120 Cb -0.18 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1r3l s PRO 120 CO 0.38 -1.30 1.09 -1.54 0.04 0.00 0.00 177.00 175.67 1r3l s SER 121 N -1.14 5.95 0.48 6.66 1.04 -1.26 -4.92 113.70 120.51 1r3l s SER 121 Ca 0.75 2.07 0.19 0.00 0.48 0.00 0.00 55.95 59.44 1r3l s SER 121 Cb -0.39 -2.57 1.17 0.00 0.10 0.00 0.00 66.02 64.34 1r3l s SER 121 CO 0.44 -1.06 2.03 0.77 0.98 0.00 0.00 173.24 176.40 1r3l h SER 122 N 1.29 0.00 -0.00 7.02 4.64 -1.99 -1.65 113.55 122.86 1r3l h SER 122 Ca -0.50 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.68 1r3l h SER 122 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1r3l h SER 122 CO 0.58 0.16 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.89 1r3l h GLU 123 N 0.00 0.55 -0.32 4.77 3.07 -1.99 -2.38 114.58 118.28 1r3l h GLU 123 Ca -0.00 -0.31 -0.17 0.00 -0.50 0.00 0.00 59.36 58.38 1r3l h GLU 123 Cb 0.31 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1r3l h GLU 123 CO 0.02 0.91 -0.46 0.37 -1.40 0.00 0.00 179.01 178.45 1r3l h GLN 124 N 0.44 0.88 -0.59 2.33 4.15 -1.64 -3.09 115.11 117.59 1r3l h GLN 124 Ca 0.02 -0.52 0.02 0.00 0.77 0.00 0.00 58.65 58.95 1r3l h GLN 124 Cb 1.00 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 1r3l h GLN 124 CO 0.09 1.16 0.37 -0.07 -1.93 0.00 0.00 178.83 178.45 1r3l h LEU 125 N 0.67 0.61 -1.56 -2.39 3.38 -1.27 -1.62 115.31 113.14 1r3l h LEU 125 Ca 0.03 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.22 1r3l h LEU 125 Cb 1.06 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1r3l h LEU 125 CO 0.11 0.43 0.62 0.74 0.09 0.00 0.00 178.44 180.43 1r3l h THR 126 N 0.74 0.64 0.00 0.22 2.02 -1.35 0.74 112.91 115.91 1r3l h THR 126 Ca 0.23 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1r3l h THR 126 Cb -0.01 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1r3l h THR 126 CO -0.08 0.06 0.00 -1.54 0.37 0.00 0.00 175.52 174.33 1r3l n SER 127 N -4.49 0.12 0.00 4.18 3.41 -0.63 -4.90 113.62 111.31 1r3l n SER 127 Ca 0.20 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1r3l n SER 127 Cb 0.76 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1r3l n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3l n GLY 128 N 1.30 1.23 3.14 5.00 0.00 0.26 -5.10 105.19 111.02 1r3l n GLY 128 Ca 0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1r3l n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3l s GLY 129 N -2.28 0.76 -0.06 -0.02 0.00 -1.10 -3.51 107.32 101.11 1r3l s GLY 129 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 1r3l s GLY 129 CO 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 173.10 171.85 1r3l s ALA 130 N -3.87 -0.18 -0.11 3.20 0.00 -0.50 -3.03 121.76 117.27 1r3l s ALA 130 Ca 0.15 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 1r3l s ALA 130 Cb 0.07 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1r3l s ALA 130 CO -0.04 -0.23 -0.08 -1.12 0.00 0.00 0.00 175.76 174.29 1r3l s SER 131 N 1.38 2.13 -0.26 0.00 0.01 -1.26 -0.44 113.70 115.26 1r3l s SER 131 Ca -0.07 -0.30 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 1r3l s SER 131 Cb -0.12 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 1r3l s SER 131 CO -0.05 -0.11 0.17 -0.69 0.41 0.00 0.00 173.24 172.96 1r3l s VAL 132 N 1.63 5.23 -0.07 3.43 1.01 -0.01 -3.30 120.40 128.32 1r3l s VAL 132 Ca 0.04 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1r3l s VAL 132 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1r3l s VAL 132 CO -0.07 0.29 -0.07 -0.69 0.00 0.00 0.00 175.10 174.55 1r3l s VAL 133 N 1.52 3.66 -0.03 2.92 1.01 -0.77 -0.98 120.40 127.74 1r3l s VAL 133 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1r3l s VAL 133 Cb -0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1r3l s VAL 133 CO 0.08 0.59 -0.12 0.00 0.00 0.00 0.00 175.10 175.66 1r3l s PHE 135 N 0.05 2.83 -0.39 0.00 0.08 0.47 -0.89 117.98 120.13 1r3l s PHE 135 Ca -0.02 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1r3l s PHE 135 Cb -0.09 -1.84 0.11 0.00 -0.57 0.00 0.00 43.02 40.63 1r3l s PHE 135 CO 0.01 -0.17 0.15 -0.51 -0.10 0.00 0.00 175.22 174.60 1r3l s LEU 136 N 0.29 5.00 0.03 -0.37 2.01 0.21 -1.66 118.68 124.19 1r3l s LEU 136 Ca -0.09 -2.18 0.03 0.00 0.01 0.00 0.00 54.13 51.90 1r3l s LEU 136 Cb -0.15 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.27 1r3l s LEU 136 CO 0.05 -0.45 -0.03 0.20 1.01 0.00 0.00 176.35 177.13 1r3l s ASN 137 N 1.26 4.87 -1.22 2.29 0.02 -0.85 -0.15 114.94 121.16 1r3l s ASN 137 Ca 0.10 -0.12 -0.13 0.00 -1.02 0.00 0.00 52.86 51.69 1r3l s ASN 137 Cb -0.21 -1.18 -0.01 0.00 0.02 0.00 0.00 41.25 39.87 1r3l s ASN 137 CO -0.06 0.25 0.70 0.59 0.02 0.00 0.00 177.10 178.60 1r3l n ASN 138 N 1.20 -3.64 -4.72 -1.22 3.02 -0.74 -1.16 115.26 108.01 1r3l n ASN 138 Ca -0.14 -0.98 -0.24 0.00 -0.03 0.00 0.00 54.58 53.19 1r3l n ASN 138 Cb 0.52 -3.44 -0.07 0.00 -0.61 0.00 0.00 39.78 36.18 1r3l n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1r3l s PHE 139 N -3.61 2.62 -0.28 3.10 -0.12 -0.54 -4.61 117.98 114.54 1r3l s PHE 139 Ca 0.30 -0.52 -0.19 0.00 -0.05 0.00 0.00 56.93 56.47 1r3l s PHE 139 Cb -0.11 -1.80 0.12 0.00 -0.63 0.00 0.00 43.02 40.60 1r3l s PHE 139 CO 0.86 0.27 0.90 -0.47 -0.05 0.00 0.00 175.22 176.73 1r3l s TYR 140 N -2.55 -0.68 1.36 3.49 6.14 -0.07 -1.16 117.35 123.88 1r3l s TYR 140 Ca 0.39 1.46 -0.22 0.00 0.64 0.00 0.00 57.07 59.34 1r3l s TYR 140 Cb 0.02 0.41 0.34 0.00 0.42 0.00 0.00 41.96 43.15 1r3l s TYR 140 CO 0.22 -0.34 0.98 -1.25 0.64 0.00 0.00 175.55 175.81 1r3l s PRO 141 N 1.01 -2.45 0.00 4.97 0.04 -1.26 -0.84 135.00 136.47 1r3l s PRO 141 Ca -0.05 0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.31 1r3l s PRO 141 Cb -0.04 -1.44 1.06 0.00 0.04 0.00 0.00 34.50 34.11 1r3l s PRO 141 CO -0.12 -4.55 1.76 0.36 0.04 0.00 0.00 177.00 174.49 1r3l n LYS 142 N -5.39 0.09 -2.56 4.56 2.85 -1.26 -4.81 118.16 111.65 1r3l n LYS 142 Ca 0.13 0.09 -0.42 0.00 -1.05 0.00 0.00 58.31 57.05 1r3l n LYS 142 Cb 0.60 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.45 1r3l n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r3l s ASP 143 N -2.89 7.20 -0.03 -5.58 1.01 -1.26 -5.00 116.67 110.12 1r3l s ASP 143 Ca 0.14 1.82 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 1r3l s ASP 143 Cb 0.16 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.61 1r3l s ASP 143 CO 0.41 -0.40 0.83 -0.51 0.21 0.00 0.00 175.17 175.71 1r3l s ILE 144 N 1.26 0.00 0.00 0.77 2.07 -1.26 -4.61 121.20 119.43 1r3l s ILE 144 Ca 0.55 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.83 1r3l s ILE 144 Cb -0.25 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.33 1r3l s ILE 144 CO 0.27 0.00 -0.14 0.20 -1.91 0.00 0.00 174.94 173.36 1r3l s ASN 145 N -1.93 1.63 0.02 4.50 0.01 -1.03 -5.01 114.94 113.14 1r3l s ASN 145 Ca -0.00 -0.31 0.07 0.00 -0.71 0.00 0.00 52.86 51.90 1r3l s ASN 145 Cb -0.01 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 1r3l s ASN 145 CO -0.03 0.13 -0.21 0.54 -1.51 0.00 0.00 177.10 176.02 1r3l s VAL 146 N -0.48 1.67 -0.01 1.60 0.11 -1.26 -1.23 120.40 120.80 1r3l s VAL 146 Ca 0.04 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1r3l s VAL 146 Cb -0.06 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1r3l s VAL 146 CO 0.00 0.31 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.29 1r3l s LYS 147 N -0.90 0.47 0.03 1.54 2.20 -0.27 -4.96 119.74 117.84 1r3l s LYS 147 Ca 0.08 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1r3l s LYS 147 Cb -0.08 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 1r3l s LYS 147 CO 0.01 0.07 0.07 -1.58 -0.36 0.00 0.00 175.35 173.56 1r3l s TRP 148 N 0.08 3.21 -0.06 4.03 0.52 -1.26 -1.17 118.94 124.28 1r3l s TRP 148 Ca -0.00 0.13 -0.03 0.00 0.02 0.00 0.00 56.10 56.22 1r3l s TRP 148 Cb -0.04 -1.68 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1r3l s TRP 148 CO -0.00 0.52 0.08 0.15 0.02 0.00 0.00 176.95 177.72 1r3l s LYS 149 N -1.96 -0.04 -0.31 4.98 1.02 -0.85 0.26 119.74 122.83 1r3l s LYS 149 Ca 0.25 0.36 -0.10 0.00 0.02 0.00 0.00 55.97 56.50 1r3l s LYS 149 Cb -0.12 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1r3l s LYS 149 CO 0.16 -0.37 0.16 0.42 -0.92 0.00 0.00 175.35 174.81 1r3l s ILE 150 N 2.19 4.68 -1.31 2.17 1.01 0.52 -1.31 121.20 129.16 1r3l s ILE 150 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1r3l s ILE 150 Cb -0.12 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1r3l s ILE 150 CO -0.04 0.06 0.92 0.47 0.00 0.00 0.00 174.94 176.34 1r3l n ASP 151 N 5.00 -2.76 0.00 3.58 8.00 0.58 -2.04 116.55 128.90 1r3l n ASP 151 Ca -0.14 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1r3l n ASP 151 Cb 0.49 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 1r3l n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3l n GLY 152 N -1.51 2.97 3.54 0.44 0.00 -1.26 -5.00 105.19 104.36 1r3l n GLY 152 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1r3l n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3l s SER 153 N -3.13 5.20 0.25 1.61 0.01 -0.87 -5.00 113.70 111.77 1r3l s SER 153 Ca 0.00 -0.06 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 1r3l s SER 153 Cb 0.00 -1.89 -0.15 0.00 0.21 0.00 0.00 66.02 64.20 1r3l s SER 153 CO 0.00 0.12 0.99 1.21 0.41 0.00 0.00 173.24 175.98 1r3l n GLU 154 N 3.85 1.14 -4.62 12.44 2.13 -1.26 -0.35 120.64 133.96 1r3l n GLU 154 Ca -0.17 0.40 -0.25 0.00 0.66 0.00 0.00 57.16 57.80 1r3l n GLU 154 Cb 0.52 -1.76 -0.14 0.00 0.27 0.00 0.00 31.44 30.33 1r3l n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1r3l s ARG 155 N -1.16 1.36 0.00 5.31 6.06 0.14 -4.76 118.95 125.89 1r3l s ARG 155 Ca 0.63 -0.92 0.00 0.00 -2.50 0.00 0.00 55.73 52.94 1r3l s ARG 155 Cb -0.77 -1.46 0.00 0.00 0.06 0.00 0.00 34.95 32.78 1r3l s ARG 155 CO 0.57 0.37 0.00 1.04 -2.50 0.00 0.00 175.30 174.79 1r3l n GLN 156 N 1.86 1.46 -2.44 5.12 6.02 -1.26 -4.10 117.38 124.04 1r3l n GLN 156 Ca -0.17 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.44 1r3l n GLN 156 Cb 0.53 -0.63 -0.03 0.00 1.02 0.00 0.00 30.24 31.14 1r3l n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r3l s ASN 157 N -1.38 6.74 -0.80 1.08 -0.87 -1.26 -3.42 114.94 115.03 1r3l s ASN 157 Ca 0.00 2.19 0.00 0.00 -1.57 0.00 0.00 52.86 53.48 1r3l s ASN 157 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 1r3l s ASN 157 CO 0.00 -0.51 0.00 0.61 -2.57 0.00 0.00 177.10 174.63 1r3l n GLY 158 N 0.58 0.96 3.39 0.66 0.00 -1.26 -4.81 105.19 104.72 1r3l n GLY 158 Ca 0.04 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1r3l n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3l s VAL 159 N -2.28 3.46 -0.05 1.61 1.01 -1.22 0.15 120.40 123.08 1r3l s VAL 159 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1r3l s VAL 159 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1r3l s VAL 159 CO 0.00 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 1r3l s LEU 160 N 0.76 1.84 0.21 3.92 1.43 -0.71 -4.97 118.68 121.15 1r3l s LEU 160 Ca -0.03 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1r3l s LEU 160 Cb -0.15 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1r3l s LEU 160 CO 0.02 0.11 -0.04 0.20 0.23 0.00 0.00 176.35 176.86 1r3l s ASN 161 N 0.29 4.47 -0.08 2.29 0.01 -1.26 -1.05 114.94 119.61 1r3l s ASN 161 Ca -0.09 -0.56 -0.05 0.00 -0.71 0.00 0.00 52.86 51.45 1r3l s ASN 161 Cb -0.13 -0.83 0.03 0.00 0.41 0.00 0.00 41.25 40.73 1r3l s ASN 161 CO 0.03 0.07 0.19 -0.55 -1.51 0.00 0.00 177.10 175.32 1r3l s SER 162 N -3.14 -0.19 -0.03 -1.22 0.15 -0.13 -4.97 113.70 104.17 1r3l s SER 162 Ca 0.28 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.38 1r3l s SER 162 Cb -0.08 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1r3l s SER 162 CO 0.18 -0.11 -0.24 0.26 1.20 0.00 0.00 173.24 174.53 1r3l s TRP 163 N 0.61 2.39 0.53 3.44 0.51 -1.26 -0.44 118.94 124.71 1r3l s TRP 163 Ca -0.04 -0.45 -0.02 0.00 -2.12 0.00 0.00 56.10 53.48 1r3l s TRP 163 Cb -0.06 -1.53 0.01 0.00 -0.81 0.00 0.00 33.47 31.09 1r3l s TRP 163 CO -0.03 -0.04 0.78 0.95 -0.51 0.00 0.00 176.95 178.10 1r3l s THR 164 N -0.56 3.51 0.95 2.01 -4.23 -0.54 -5.01 115.64 111.77 1r3l s THR 164 Ca 0.08 -0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 1r3l s THR 164 Cb -0.11 -3.34 0.18 0.00 1.34 0.00 0.00 72.50 70.58 1r3l s THR 164 CO -0.00 -0.27 1.26 -1.81 -0.54 0.00 0.00 174.62 173.26 1r3l s ASP 165 N -4.31 3.23 0.32 3.99 1.01 -1.26 -4.61 116.67 115.04 1r3l s ASP 165 Ca 0.52 0.45 -0.29 0.00 0.71 0.00 0.00 52.55 53.94 1r3l s ASP 165 Cb -0.10 -0.64 -0.11 0.00 1.01 0.00 0.00 42.92 43.08 1r3l s ASP 165 CO 0.40 -2.68 1.55 -1.58 0.21 0.00 0.00 175.17 173.07 1r3l s GLN 166 N -5.75 4.13 0.04 8.23 0.74 -1.26 -4.71 119.66 121.08 1r3l s GLN 166 Ca 0.71 2.55 -0.30 0.00 0.05 0.00 0.00 55.36 58.37 1r3l s GLN 166 Cb -0.06 -3.01 -0.06 0.00 1.10 0.00 0.00 33.01 30.98 1r3l s GLN 166 CO 0.52 -0.58 1.28 0.34 -0.55 0.00 0.00 175.29 176.30 1r3l s ASP 167 N 0.26 6.98 0.00 6.67 2.15 0.10 -4.92 116.67 127.90 1r3l s ASP 167 Ca 0.59 2.06 0.26 0.00 0.43 0.00 0.00 52.55 55.89 1r3l s ASP 167 Cb -0.47 -2.57 1.53 0.00 -0.30 0.00 0.00 42.92 41.11 1r3l s ASP 167 CO 0.53 -0.58 1.95 -1.54 -0.17 0.00 0.00 175.17 175.36 1r3l n SER 168 N 4.49 0.00 -0.08 -0.34 3.41 -1.26 -0.40 113.62 119.44 1r3l n SER 168 Ca 0.11 -1.08 -0.17 0.00 -0.26 0.00 0.00 58.87 57.46 1r3l n SER 168 Cb 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1r3l n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r3l n LYS 169 N -0.93 0.69 -0.39 4.33 4.76 -1.26 -2.22 118.16 123.14 1r3l n LYS 169 Ca 0.19 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1r3l n LYS 169 Cb 0.09 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1r3l n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1r3l n ASP 170 N -3.25 0.00 -0.93 4.39 5.68 -1.21 -4.84 116.55 116.39 1r3l n ASP 170 Ca -0.38 -1.63 -0.12 0.00 -0.50 0.00 0.00 54.79 52.16 1r3l n ASP 170 Cb 1.03 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.84 1r3l n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1r3l n SER 171 N 0.00 -5.67 -4.63 -1.12 7.64 0.46 -4.97 113.62 105.33 1r3l n SER 171 Ca 0.00 0.30 -0.18 0.00 1.01 0.00 0.00 58.87 60.00 1r3l n SER 171 Cb 0.63 -4.24 0.07 0.00 -1.01 0.00 0.00 64.21 59.65 1r3l n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1r3l n THR 172 N -2.25 0.00 -4.48 0.44 -2.24 -1.26 -4.66 114.28 99.84 1r3l n THR 172 Ca -0.12 -1.71 -0.23 0.00 -2.27 0.00 0.00 64.05 59.72 1r3l n THR 172 Cb 0.60 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 1r3l n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r3l s TYR 173 N -2.41 2.10 0.09 4.78 1.51 -0.30 0.01 117.35 123.12 1r3l s TYR 173 Ca 0.57 -0.74 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 1r3l s TYR 173 Cb -0.04 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1r3l s TYR 173 CO 0.37 0.27 0.35 -1.12 -1.11 0.00 0.00 175.55 174.31 1r3l s SER 174 N -3.52 -0.17 0.03 2.29 0.01 -1.26 -1.47 113.70 109.62 1r3l s SER 174 Ca 0.33 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 57.18 1r3l s SER 174 Cb 0.06 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.72 1r3l s SER 174 CO 0.14 -0.75 0.27 -0.32 0.41 0.00 0.00 173.24 172.99 1r3l s MET 175 N -3.29 0.73 0.03 12.44 0.00 0.78 -1.46 119.30 128.52 1r3l s MET 175 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 55.69 55.30 1r3l s MET 175 Cb 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 34.83 35.13 1r3l s MET 175 CO -0.08 -0.22 -0.21 -1.54 0.00 0.00 0.00 175.02 172.97 1r3l s SER 176 N -1.87 2.50 -0.09 1.11 1.04 0.41 -0.62 113.70 116.19 1r3l s SER 176 Ca -0.07 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1r3l s SER 176 Cb -0.02 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.89 1r3l s SER 176 CO -0.01 0.19 -0.09 -0.55 0.98 0.00 0.00 173.24 173.76 1r3l s SER 177 N -0.99 1.96 -0.16 7.02 0.15 -0.07 -0.96 113.70 120.66 1r3l s SER 177 Ca 0.08 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1r3l s SER 177 Cb -0.09 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.44 1r3l s SER 177 CO 0.01 -0.06 -0.11 -0.89 1.20 0.00 0.00 173.24 173.39 1r3l s THR 178 N 1.28 1.47 -0.25 6.45 2.01 -0.21 -0.45 115.64 125.94 1r3l s THR 178 Ca -0.03 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 1r3l s THR 178 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1r3l s THR 178 CO -0.03 0.31 0.37 -0.22 -0.69 0.00 0.00 174.62 174.35 1r3l s LEU 179 N 1.50 4.08 -0.26 4.42 2.96 -0.15 -1.75 118.68 129.49 1r3l s LEU 179 Ca 0.02 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1r3l s LEU 179 Cb -0.14 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.13 1r3l s LEU 179 CO -0.09 -0.13 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.89 1r3l s THR 180 N 1.77 3.22 0.42 3.68 2.01 0.12 -0.83 115.64 126.02 1r3l s THR 180 Ca 0.16 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.35 1r3l s THR 180 Cb -0.15 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.67 1r3l s THR 180 CO 0.09 0.20 0.02 -0.76 -0.69 0.00 0.00 174.62 173.48 1r3l s LEU 181 N 1.39 2.68 0.50 4.42 1.43 0.41 -4.70 118.68 124.81 1r3l s LEU 181 Ca 0.02 -1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 51.61 1r3l s LEU 181 Cb -0.16 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1r3l s LEU 181 CO -0.03 -0.55 0.86 0.42 0.23 0.00 0.00 176.35 177.28 1r3l s THR 182 N -2.82 4.82 0.27 5.49 -4.23 -1.26 -1.42 115.64 116.49 1r3l s THR 182 Ca 0.30 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1r3l s THR 182 Cb 0.08 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1r3l s THR 182 CO 0.15 -0.85 1.86 0.50 -0.54 0.00 0.00 174.62 175.73 1r3l h LYS 183 N 0.32 1.04 0.22 3.99 3.64 -1.81 -0.49 116.57 123.48 1r3l h LYS 183 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1r3l h LYS 183 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1r3l h LYS 183 CO 0.62 0.69 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.86 1r3l h ASP 184 N 1.07 -0.51 -1.07 4.20 5.19 -1.92 0.38 116.42 123.76 1r3l h ASP 184 Ca 0.46 0.04 0.30 0.00 -0.62 0.00 0.00 57.03 57.21 1r3l h ASP 184 Cb 0.32 0.16 -0.12 0.00 0.18 0.00 0.00 39.33 39.88 1r3l h ASP 184 CO -0.22 -0.26 0.66 -0.08 -3.12 0.00 0.00 179.24 176.22 1r3l h GLU 185 N -0.40 0.36 -0.27 3.56 4.57 -1.88 0.20 114.58 120.73 1r3l h GLU 185 Ca -0.03 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 1r3l h GLU 185 Cb 0.34 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1r3l h GLU 185 CO -0.01 0.24 -0.58 -0.92 -1.18 0.00 0.00 179.01 176.56 1r3l h TYR 186 N 0.37 1.08 0.00 0.92 3.20 -0.59 -3.24 116.97 118.71 1r3l h TYR 186 Ca 0.67 -0.40 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1r3l h TYR 186 Cb 1.66 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1r3l h TYR 186 CO -0.01 1.23 -0.23 0.93 -1.64 0.00 0.00 178.16 178.44 1r3l h GLU 187 N 0.64 0.00 -1.10 1.82 4.39 0.30 -3.14 114.58 117.49 1r3l h GLU 187 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 1r3l h GLU 187 Cb 1.19 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.61 1r3l h GLU 187 CO 0.13 0.23 0.58 2.89 -1.16 0.00 0.00 179.01 181.67 1r3l n ARG 188 N -3.67 2.10 -3.79 2.33 1.85 -0.90 -4.85 116.66 109.72 1r3l n ARG 188 Ca -0.01 -2.39 -0.13 0.00 -1.00 0.00 0.00 57.85 54.32 1r3l n ARG 188 Cb 0.35 -1.94 -0.10 0.00 -1.05 0.00 0.00 32.46 29.72 1r3l n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1r3l s HIS 189 N -2.70 -0.20 -0.03 2.89 3.76 -1.19 -5.07 115.29 112.76 1r3l s HIS 189 Ca 0.46 0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 55.77 1r3l s HIS 189 Cb 0.38 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 34.13 1r3l s HIS 189 CO 0.04 -0.25 -0.04 -1.71 -0.85 0.00 0.00 174.74 171.94 1r3l n ASN 190 N 2.14 0.30 -4.84 1.40 4.05 -1.26 -4.71 115.26 112.34 1r3l n ASN 190 Ca -0.17 0.20 -0.34 0.00 0.45 0.00 0.00 54.58 54.71 1r3l n ASN 190 Cb 0.57 -0.55 -0.06 0.00 1.23 0.00 0.00 39.78 40.97 1r3l n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1r3l s SER 191 N -4.07 6.07 -0.03 1.20 1.04 -1.26 -0.18 113.70 116.48 1r3l s SER 191 Ca -0.03 0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.75 1r3l s SER 191 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 1r3l s SER 191 CO 0.05 0.32 -0.18 -0.31 0.98 0.00 0.00 173.24 174.10 1r3l s TYR 192 N -1.16 1.70 0.02 5.02 1.51 -0.72 -0.31 117.35 123.42 1r3l s TYR 192 Ca 0.21 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1r3l s TYR 192 Cb -0.12 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1r3l s TYR 192 CO 0.11 -0.09 -0.05 0.99 -1.11 0.00 0.00 175.55 175.41 1r3l s THR 193 N -0.25 0.31 -0.06 -0.71 2.01 -0.42 -1.72 115.64 114.80 1r3l s THR 193 Ca 0.03 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1r3l s THR 193 Cb -0.09 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1r3l s THR 193 CO 0.01 -0.22 -0.22 0.00 -0.69 0.00 0.00 174.62 173.49 1r3l s GLU 195 N -0.01 1.50 -0.14 0.00 2.02 -0.32 -1.29 118.70 120.45 1r3l s GLU 195 Ca -0.05 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 1r3l s GLU 195 Cb -0.13 -1.28 -0.01 0.00 0.10 0.00 0.00 34.13 32.80 1r3l s GLU 195 CO 0.04 0.07 -0.11 0.00 0.02 0.00 0.00 175.26 175.28 1r3l s ALA 196 N 0.48 2.67 -0.22 5.21 0.00 0.11 -1.12 121.76 128.88 1r3l s ALA 196 Ca -0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 1r3l s ALA 196 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1r3l s ALA 196 CO 0.03 0.14 -0.00 0.99 0.00 0.00 0.00 175.76 176.92 1r3l s THR 197 N 0.52 3.75 -0.07 0.00 2.01 -0.37 -0.85 115.64 120.63 1r3l s THR 197 Ca -0.08 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1r3l s THR 197 Cb -0.15 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.66 1r3l s THR 197 CO 0.04 0.40 0.29 -2.28 -0.69 0.00 0.00 174.62 172.38 1r3l s HIS 198 N 1.42 -0.25 0.23 4.92 5.04 -1.26 -2.46 115.29 122.94 1r3l s HIS 198 Ca 0.05 0.54 0.16 0.00 -1.54 0.00 0.00 55.06 54.27 1r3l s HIS 198 Cb -0.15 0.09 0.81 0.00 0.04 0.00 0.00 32.58 33.38 1r3l s HIS 198 CO -0.00 -0.25 0.89 1.17 -2.34 0.00 0.00 174.74 174.21 1r3l n LYS 199 N 2.23 -0.03 0.00 2.88 4.81 -1.26 -0.21 118.16 126.58 1r3l n LYS 199 Ca -0.17 0.74 0.08 0.00 -0.87 0.00 0.00 58.31 58.09 1r3l n LYS 199 Cb 0.57 -1.40 0.40 0.00 0.02 0.00 0.00 35.03 34.61 1r3l n LYS 199 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r3l n THR 200 N -4.00 0.52 -3.68 3.15 -2.24 -1.26 -4.75 114.28 102.02 1r3l n THR 200 Ca 0.22 0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1r3l n THR 200 Cb 0.83 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 1r3l n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r3l s SER 201 N -2.54 -0.60 0.13 3.42 0.15 0.71 -4.98 113.70 109.99 1r3l s SER 201 Ca 0.15 1.14 -0.07 0.00 0.70 0.00 0.00 55.95 57.88 1r3l s SER 201 Cb 0.10 1.14 -0.08 0.00 -1.71 0.00 0.00 66.02 65.48 1r3l s SER 201 CO 0.23 -0.20 1.33 0.71 1.20 0.00 0.00 173.24 176.52 1r3l h THR 202 N 4.36 1.35 -3.33 6.45 1.35 -1.85 -3.39 112.91 117.84 1r3l h THR 202 Ca -0.29 -2.20 -0.56 0.00 -0.55 0.00 0.00 66.41 62.82 1r3l h THR 202 Cb 1.17 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 69.76 1r3l h THR 202 CO 0.16 0.67 -0.04 -0.44 -0.25 0.00 0.00 175.52 175.62 1r3l s SER 203 N -7.08 6.94 0.46 5.36 0.01 -1.26 -5.01 113.70 113.12 1r3l s SER 203 Ca -0.07 1.20 -0.20 0.00 1.31 0.00 0.00 55.95 58.18 1r3l s SER 203 Cb 0.09 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 1r3l s SER 203 CO 0.87 0.15 0.98 -2.16 0.41 0.00 0.00 173.24 173.50 1r3l s PRO 204 N -1.67 4.06 -0.07 12.44 0.04 -1.26 -4.85 135.00 143.70 1r3l s PRO 204 Ca 0.36 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 62.35 1r3l s PRO 204 Cb -0.17 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1r3l s PRO 204 CO 0.19 -0.18 0.66 0.42 0.04 0.00 0.00 177.00 178.13 1r3l s ILE 205 N -2.15 5.05 -0.00 0.56 1.01 -0.03 -4.87 121.20 120.77 1r3l s ILE 205 Ca 0.63 1.36 0.05 0.00 0.00 0.00 0.00 60.65 62.69 1r3l s ILE 205 Cb -0.11 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1r3l s ILE 205 CO 0.17 0.28 -0.15 -0.69 0.00 0.00 0.00 174.94 174.55 1r3l s VAL 206 N 0.69 1.15 -0.03 2.92 1.01 -1.26 0.05 120.40 124.93 1r3l s VAL 206 Ca 0.35 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1r3l s VAL 206 Cb -0.17 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1r3l s VAL 206 CO 0.17 0.28 -0.04 -0.54 0.00 0.00 0.00 175.10 174.96 1r3l s LYS 207 N -0.47 0.62 0.14 2.72 -0.14 -0.41 -5.00 119.74 117.19 1r3l s LYS 207 Ca 0.05 -0.12 0.01 0.00 -1.36 0.00 0.00 55.97 54.54 1r3l s LYS 207 Cb -0.06 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 35.41 1r3l s LYS 207 CO -0.00 -0.00 0.01 -1.12 -0.76 0.00 0.00 175.35 173.47 1r3l s SER 208 N 0.50 0.82 -0.21 2.83 0.01 -1.26 -0.64 113.70 115.76 1r3l s SER 208 Ca -0.06 -1.15 -0.19 0.00 1.31 0.00 0.00 55.95 55.87 1r3l s SER 208 Cb -0.10 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.37 1r3l s SER 208 CO -0.00 -0.61 0.55 0.72 0.41 0.00 0.00 173.24 174.31 1r3l s PHE 209 N -3.81 -0.62 -0.18 2.43 -0.12 -0.70 -5.01 117.98 109.97 1r3l s PHE 209 Ca 0.21 1.50 -0.09 0.00 -0.05 0.00 0.00 56.93 58.50 1r3l s PHE 209 Cb 0.07 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1r3l s PHE 209 CO 0.01 -0.30 0.12 -0.80 -0.05 0.00 0.00 175.22 174.20 1r3l s ASN 210 N 0.39 6.19 0.00 1.98 -0.87 -1.26 -1.75 114.94 119.62 1r3l s ASN 210 Ca -0.01 0.28 0.01 0.00 -1.57 0.00 0.00 52.86 51.57 1r3l s ASN 210 Cb -0.04 -2.06 0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1r3l s ASN 210 CO -0.01 0.24 0.20 -1.14 -2.57 0.00 0.00 177.10 173.83 1r3l n ARG 211 N 3.10 0.07 0.00 -0.60 0.63 0.75 -4.98 116.66 115.62 1r3l n ARG 211 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1r3l n ARG 211 Cb 0.53 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.31 1r3l n ARG 211 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21