#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3i s ILE 2 N 0.00 3.38 -0.17 0.53 1.01 -1.26 -5.01 121.20 119.68 1r3i s ILE 2 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.38 1r3i s ILE 2 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1r3i s ILE 2 CO 0.00 0.02 0.23 -0.22 0.00 0.00 0.00 174.94 174.97 1r3i s LEU 3 N 2.14 4.25 -0.29 2.97 2.96 -1.26 -4.81 118.68 124.63 1r3i s LEU 3 Ca 0.67 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1r3i s LEU 3 Cb -0.36 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1r3i s LEU 3 CO 0.29 0.15 0.04 -0.76 -1.32 0.00 0.00 176.35 174.75 1r3i s LEU 4 N 0.31 3.77 -0.26 -0.68 1.02 -1.26 -0.55 118.68 121.02 1r3i s LEU 4 Ca 0.14 -0.92 -0.12 0.00 0.02 0.00 0.00 54.13 53.25 1r3i s LEU 4 Cb -0.12 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1r3i s LEU 4 CO 0.02 -0.21 0.24 -0.89 0.02 0.00 0.00 176.35 175.53 1r3i s THR 5 N 1.40 5.28 -0.36 5.49 2.01 0.12 -3.95 115.64 125.63 1r3i s THR 5 Ca -0.00 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1r3i s THR 5 Cb -0.18 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 68.84 1r3i s THR 5 CO 0.00 0.25 0.11 -1.10 -0.69 0.00 0.00 174.62 173.19 1r3i s GLN 6 N 1.66 2.07 -0.00 4.92 -0.21 -1.26 -0.81 119.66 126.03 1r3i s GLN 6 Ca 0.10 -1.64 -0.00 0.00 0.02 0.00 0.00 55.36 53.84 1r3i s GLN 6 Cb -0.15 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1r3i s GLN 6 CO 0.09 -0.90 0.01 0.45 -2.12 0.00 0.00 175.29 172.82 1r3i s SER 7 N 1.49 -0.00 0.79 5.90 0.15 -1.26 -4.17 113.70 116.60 1r3i s SER 7 Ca 0.04 0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.60 1r3i s SER 7 Cb -0.21 0.00 0.07 0.00 -1.71 0.00 0.00 66.02 64.17 1r3i s SER 7 CO -0.04 -0.01 1.10 -2.16 1.20 0.00 0.00 173.24 173.33 1r3i s PRO 8 N 0.08 2.13 0.37 5.44 0.04 -1.26 -4.54 135.00 137.26 1r3i s PRO 8 Ca -0.01 1.20 0.27 0.00 0.04 0.00 0.00 61.00 62.50 1r3i s PRO 8 Cb -0.01 -1.88 0.84 0.00 0.04 0.00 0.00 34.50 33.49 1r3i s PRO 8 CO -0.00 -1.74 1.77 0.00 0.04 0.00 0.00 177.00 177.06 1r3i h ALA 9 N -1.20 1.00 -3.62 8.56 0.00 -1.84 -3.44 119.26 118.71 1r3i h ALA 9 Ca -0.44 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 1r3i h ALA 9 Cb 1.23 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.71 1r3i h ALA 9 CO 0.50 0.00 -0.73 0.42 0.00 0.00 0.00 179.25 179.45 1r3i s ILE 10 N -3.32 -0.02 -0.17 0.00 1.01 -1.26 -1.01 121.20 116.43 1r3i s ILE 10 Ca 0.06 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1r3i s ILE 10 Cb 0.09 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.52 1r3i s ILE 10 CO 0.57 0.05 -0.19 -0.76 0.00 0.00 0.00 174.94 174.61 1r3i s LEU 11 N 0.55 2.22 -0.34 2.97 2.01 -0.34 -4.96 118.68 120.80 1r3i s LEU 11 Ca -0.05 -0.60 -0.11 0.00 0.01 0.00 0.00 54.13 53.39 1r3i s LEU 11 Cb -0.07 -1.50 0.01 0.00 0.01 0.00 0.00 46.19 44.64 1r3i s LEU 11 CO -0.02 0.02 0.19 -0.44 1.01 0.00 0.00 176.35 177.12 1r3i s SER 12 N 1.16 5.70 0.16 2.29 0.01 -1.26 -0.35 113.70 121.41 1r3i s SER 12 Ca 0.02 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 56.63 1r3i s SER 12 Cb -0.14 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1r3i s SER 12 CO -0.09 -0.28 -0.12 0.54 0.41 0.00 0.00 173.24 173.70 1r3i s VAL 13 N 1.61 1.39 0.23 3.43 0.11 0.05 -4.95 120.40 122.27 1r3i s VAL 13 Ca 0.04 -2.02 -0.04 0.00 -2.93 0.00 0.00 61.98 57.02 1r3i s VAL 13 Cb -0.18 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.79 1r3i s VAL 13 CO 0.07 -0.62 0.48 -0.44 -3.33 0.00 0.00 175.10 171.26 1r3i s SER 14 N -3.03 6.46 0.19 3.54 0.01 -1.26 0.12 113.70 119.73 1r3i s SER 14 Ca 0.16 0.64 -0.33 0.00 1.31 0.00 0.00 55.95 57.73 1r3i s SER 14 Cb -0.00 -2.11 -0.14 0.00 0.21 0.00 0.00 66.02 63.97 1r3i s SER 14 CO 0.03 -0.10 1.44 -2.65 0.41 0.00 0.00 173.24 172.37 1r3i n PRO 15 N -0.58 1.90 0.00 12.44 -0.02 -1.26 -2.22 135.00 145.26 1r3i n PRO 15 Ca -0.02 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1r3i n PRO 15 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1r3i n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3i n GLY 16 N 2.65 2.35 3.75 -1.23 0.00 -0.37 -4.92 105.19 107.41 1r3i n GLY 16 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1r3i n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3i s GLU 17 N -0.53 0.49 -0.25 1.61 2.02 -0.94 -3.47 118.70 117.63 1r3i s GLU 17 Ca 0.00 0.18 -0.10 0.00 0.02 0.00 0.00 54.97 55.07 1r3i s GLU 17 Cb 0.00 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 1r3i s GLU 17 CO 0.00 -2.61 0.14 0.50 0.02 0.00 0.00 175.26 173.30 1r3i s ARG 18 N -5.32 3.91 0.17 1.61 3.52 -1.26 -0.79 118.95 120.79 1r3i s ARG 18 Ca 0.67 -0.35 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 1r3i s ARG 18 Cb -0.13 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1r3i s ARG 18 CO 0.55 -0.06 0.04 0.54 -0.81 0.00 0.00 175.30 175.55 1r3i s VAL 19 N 1.36 3.94 -0.07 7.11 0.11 -0.40 -4.94 120.40 127.50 1r3i s VAL 19 Ca 0.06 -1.31 -0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1r3i s VAL 19 Cb -0.15 -2.98 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 1r3i s VAL 19 CO 0.06 -0.10 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.26 1r3i s SER 20 N -2.95 1.48 -0.16 3.54 0.01 -1.26 -1.45 113.70 112.90 1r3i s SER 20 Ca 0.28 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.31 1r3i s SER 20 Cb -0.10 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 1r3i s SER 20 CO 0.20 -0.13 0.14 -0.36 0.41 0.00 0.00 173.24 173.50 1r3i s PHE 21 N 1.52 3.50 -0.07 2.43 0.40 0.54 -4.93 117.98 121.37 1r3i s PHE 21 Ca -0.01 0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1r3i s PHE 21 Cb -0.13 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1r3i s PHE 21 CO -0.04 0.50 0.14 0.45 0.70 0.00 0.00 175.22 176.98 1r3i s SER 22 N -0.30 6.26 -0.11 1.36 0.15 -1.26 -1.12 113.70 118.68 1r3i s SER 22 Ca 0.11 0.38 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 1r3i s SER 22 Cb -0.12 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1r3i s SER 22 CO 0.01 0.35 0.14 0.00 1.20 0.00 0.00 173.24 174.93 1r3i s ARG 24 N 2.25 3.24 -0.03 0.00 3.52 0.01 -0.21 118.95 127.73 1r3i s ARG 24 Ca 0.04 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.77 1r3i s ARG 24 Cb -0.13 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 1r3i s ARG 24 CO -0.07 0.13 0.30 0.00 -0.81 0.00 0.00 175.30 174.86 1r3i s ALA 25 N 0.52 3.78 -1.06 6.12 0.00 0.35 0.15 121.76 131.61 1r3i s ALA 25 Ca -0.11 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1r3i s ALA 25 Cb -0.16 -2.20 0.19 0.00 0.00 0.00 0.00 23.12 20.95 1r3i s ALA 25 CO 0.04 0.55 1.11 -1.13 0.00 0.00 0.00 175.76 176.34 1r3i n SER 26 N 1.70 0.00 -3.51 0.00 3.41 0.29 -4.71 113.62 110.79 1r3i n SER 26 Ca -0.15 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.81 1r3i n SER 26 Cb 0.53 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1r3i n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r3i s GLN 27 N -2.94 1.33 0.12 4.33 -2.07 -1.26 -4.96 119.66 114.21 1r3i s GLN 27 Ca 0.02 -0.55 -0.31 0.00 -1.82 0.00 0.00 55.36 52.70 1r3i s GLN 27 Cb 0.03 0.57 -0.10 0.00 -1.09 0.00 0.00 33.01 32.42 1r3i s GLN 27 CO 0.08 -0.59 1.71 0.45 -1.32 0.00 0.00 175.29 175.62 1r3i s SER 28 N -2.76 6.51 -0.12 12.60 0.15 -1.26 -4.63 113.70 124.19 1r3i s SER 28 Ca 0.03 2.65 0.17 0.00 0.70 0.00 0.00 55.95 59.50 1r3i s SER 28 Cb -0.02 -2.57 0.41 0.00 -1.71 0.00 0.00 66.02 62.13 1r3i s SER 28 CO -0.09 -0.93 1.19 2.30 1.20 0.00 0.00 173.24 176.91 1r3i n ILE 29 N 4.51 1.24 0.00 6.45 -5.35 -0.00 -4.99 119.36 121.21 1r3i n ILE 29 Ca 0.16 -2.21 0.00 0.00 -0.27 0.00 0.00 62.75 60.43 1r3i n ILE 29 Cb 0.39 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1r3i n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3i n GLY 30 N -0.44 3.77 0.46 3.28 0.00 -1.25 -1.75 105.19 109.26 1r3i n GLY 30 Ca 0.13 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.35 1r3i n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3i n THR 31 N 0.00 1.69 -1.31 2.61 -2.24 -1.26 -0.65 114.28 113.12 1r3i n THR 31 Ca 0.00 -2.36 -0.26 0.00 -2.27 0.00 0.00 64.05 59.15 1r3i n THR 31 Cb 0.00 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 1r3i n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r3i n ASP 32 N -1.00 6.88 -4.23 3.42 10.43 -0.72 -3.04 116.55 128.29 1r3i n ASP 32 Ca 0.15 -2.72 -0.27 0.00 2.57 0.00 0.00 54.79 54.52 1r3i n ASP 32 Cb 0.71 -1.42 -0.16 0.00 1.84 0.00 0.00 41.12 42.10 1r3i n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1r3i s ILE 33 N 0.50 1.66 0.04 0.53 1.10 -1.26 -1.81 121.20 121.96 1r3i s ILE 33 Ca 0.65 -0.90 0.05 0.00 -0.51 0.00 0.00 60.65 59.93 1r3i s ILE 33 Cb 0.27 -1.38 -0.02 0.00 0.15 0.00 0.00 42.46 41.48 1r3i s ILE 33 CO -0.07 0.46 -0.14 -1.00 -2.11 0.00 0.00 174.94 172.08 1r3i s HIS 34 N -0.50 1.21 -0.05 3.50 3.76 0.84 0.14 115.29 124.20 1r3i s HIS 34 Ca 0.08 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1r3i s HIS 34 Cb -0.08 -0.71 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 1r3i s HIS 34 CO -0.01 0.04 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.19 1r3i s TRP 35 N -0.93 2.68 0.09 1.40 0.52 0.25 -0.38 118.94 122.57 1r3i s TRP 35 Ca 0.01 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.01 1r3i s TRP 35 Cb -0.08 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1r3i s TRP 35 CO 0.01 0.16 -0.18 0.71 0.02 0.00 0.00 176.95 177.68 1r3i s TYR 36 N -0.70 1.55 -0.10 -1.98 1.51 0.13 -0.32 117.35 117.44 1r3i s TYR 36 Ca 0.11 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1r3i s TYR 36 Cb -0.11 -0.86 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1r3i s TYR 36 CO 0.00 0.14 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.27 1r3i s GLN 37 N -1.80 3.04 -0.22 -0.62 0.74 -0.13 -1.05 119.66 119.61 1r3i s GLN 37 Ca 0.03 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.67 1r3i s GLN 37 Cb -0.10 -2.45 0.07 0.00 1.10 0.00 0.00 33.01 31.62 1r3i s GLN 37 CO 0.03 0.31 0.01 -1.14 -0.55 0.00 0.00 175.29 173.96 1r3i s GLN 38 N 0.07 0.99 0.78 1.67 0.74 -0.33 -0.63 119.66 122.95 1r3i s GLN 38 Ca -0.07 -0.71 -0.12 0.00 0.05 0.00 0.00 55.36 54.51 1r3i s GLN 38 Cb -0.15 -2.27 0.06 0.00 1.10 0.00 0.00 33.01 31.76 1r3i s GLN 38 CO 0.05 -0.68 1.12 1.03 -0.55 0.00 0.00 175.29 176.27 1r3i s ARG 39 N 1.66 2.19 -0.01 1.67 0.52 -1.26 -1.54 118.95 122.19 1r3i s ARG 39 Ca -0.01 0.39 -0.35 0.00 -0.52 0.00 0.00 55.73 55.23 1r3i s ARG 39 Cb -0.18 -1.95 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 1r3i s ARG 39 CO -0.10 -1.49 1.68 2.41 0.02 0.00 0.00 175.30 177.82 1r3i n THR 40 N -3.30 0.26 -1.68 0.02 -1.04 -1.26 -1.25 114.28 106.02 1r3i n THR 40 Ca 0.07 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 1r3i n THR 40 Cb 0.58 -1.51 -0.07 0.00 -1.82 0.00 0.00 70.33 67.52 1r3i n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3i n ASN 41 N 4.75 -5.33 -4.66 8.00 3.02 -1.26 -4.99 115.26 114.79 1r3i n ASN 41 Ca 0.21 0.39 -0.25 0.00 -0.03 0.00 0.00 54.58 54.90 1r3i n ASN 41 Cb 0.25 -4.48 -0.08 0.00 -0.61 0.00 0.00 39.78 34.85 1r3i n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1r3i s GLY 42 N -2.69 2.18 0.42 7.41 0.00 -0.38 -5.13 107.32 109.12 1r3i s GLY 42 Ca 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 44.72 42.66 1r3i s GLY 42 CO 0.00 -1.92 0.67 -1.35 0.00 0.00 0.00 173.10 170.49 1r3i s SER 43 N -3.77 6.26 0.66 1.64 1.04 -1.26 -4.62 113.70 113.66 1r3i s SER 43 Ca 0.36 0.67 -0.17 0.00 0.48 0.00 0.00 55.95 57.29 1r3i s SER 43 Cb 0.02 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 1r3i s SER 43 CO 0.20 -0.45 1.14 -2.65 0.98 0.00 0.00 173.24 172.46 1r3i n PRO 44 N -2.03 0.87 -3.87 4.02 -0.02 -1.26 -4.64 135.00 128.08 1r3i n PRO 44 Ca -0.02 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.60 1r3i n PRO 44 Cb 0.56 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.49 1r3i n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3i s ARG 45 N -3.27 0.58 0.19 -0.52 3.52 0.20 -4.92 118.95 114.73 1r3i s ARG 45 Ca 0.79 0.07 -0.32 0.00 -0.13 0.00 0.00 55.73 56.14 1r3i s ARG 45 Cb -0.38 -0.86 -0.11 0.00 -1.56 0.00 0.00 34.95 32.05 1r3i s ARG 45 CO 0.44 -0.23 1.68 -1.17 -0.81 0.00 0.00 175.30 175.20 1r3i s LEU 46 N 1.63 4.37 -0.10 -0.88 2.96 -1.26 -0.96 118.68 124.44 1r3i s LEU 46 Ca -0.00 2.79 -0.01 0.00 -0.22 0.00 0.00 54.13 56.69 1r3i s LEU 46 Cb -0.13 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1r3i s LEU 46 CO -0.04 -0.93 -0.10 0.18 -1.32 0.00 0.00 176.35 174.15 1r3i n LEU 47 N 4.01 2.46 -3.80 -0.68 4.77 0.56 -4.91 117.00 119.41 1r3i n LEU 47 Ca 0.15 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1r3i n LEU 47 Cb 0.36 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1r3i n LEU 47 CO 0.63 0.56 -0.21 -0.63 -1.33 0.00 0.00 177.39 176.40 1r3i s ILE 48 N -2.19 -0.01 0.07 -0.08 -1.09 -1.19 -4.30 121.20 112.41 1r3i s ILE 48 Ca -0.13 0.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1r3i s ILE 48 Cb 0.04 -0.21 -0.03 0.00 -1.58 0.00 0.00 42.46 40.67 1r3i s ILE 48 CO 0.21 0.02 -0.25 -1.59 -1.23 0.00 0.00 174.94 172.10 1r3i s LYS 49 N 0.40 1.73 -1.40 2.79 -2.85 -0.92 -0.58 119.74 118.91 1r3i s LYS 49 Ca -0.03 -1.16 -0.06 0.00 -1.00 0.00 0.00 55.97 53.73 1r3i s LYS 49 Cb -0.04 -2.00 0.03 0.00 -2.06 0.00 0.00 37.83 33.77 1r3i s LYS 49 CO -0.02 0.50 0.80 0.66 0.10 0.00 0.00 175.35 177.39 1r3i n TYR 50 N 1.47 -2.06 0.00 1.78 4.02 -0.67 -1.02 117.16 120.67 1r3i n TYR 50 Ca -0.17 0.86 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 1r3i n TYR 50 Cb 0.52 -4.20 0.00 0.00 -0.02 0.00 0.00 39.34 35.64 1r3i n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r3i n ALA 51 N -4.45 0.00 -1.26 -0.72 0.00 0.12 -4.19 120.51 110.02 1r3i n ALA 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1r3i n ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1r3i n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r3i n SER 52 N 0.34 0.00 -4.71 0.00 3.41 -1.18 -2.36 113.62 109.12 1r3i n SER 52 Ca 0.00 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.36 1r3i n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1r3i n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r3i s GLU 53 N 0.00 4.54 0.73 4.33 2.02 -0.19 -4.59 118.70 125.54 1r3i s GLU 53 Ca 0.00 1.52 -0.14 0.00 0.02 0.00 0.00 54.97 56.38 1r3i s GLU 53 Cb 0.00 -3.42 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1r3i s GLU 53 CO 0.00 -0.08 1.14 -1.12 0.02 0.00 0.00 175.26 175.21 1r3i s SER 54 N 0.93 4.47 -0.01 -0.19 0.01 -1.26 -2.16 113.70 115.48 1r3i s SER 54 Ca 0.53 2.09 0.06 0.00 1.31 0.00 0.00 55.95 59.94 1r3i s SER 54 Cb -0.24 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 1r3i s SER 54 CO 0.29 -2.07 -0.18 -0.63 0.41 0.00 0.00 173.24 171.06 1r3i s ILE 55 N -2.39 1.43 0.35 1.44 -1.09 -1.26 -4.82 121.20 114.86 1r3i s ILE 55 Ca 0.68 -0.77 -0.27 0.00 -2.23 0.00 0.00 60.65 58.05 1r3i s ILE 55 Cb -0.22 -1.19 -0.09 0.00 -1.58 0.00 0.00 42.46 39.38 1r3i s ILE 55 CO 0.47 0.40 1.17 -0.94 -1.23 0.00 0.00 174.94 174.82 1r3i s SER 56 N -0.43 6.79 0.00 3.58 1.04 -1.26 -2.90 113.70 120.52 1r3i s SER 56 Ca 0.07 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.88 1r3i s SER 56 Cb -0.07 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1r3i s SER 56 CO -0.01 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1r3i n GLY 57 N 0.80 0.74 3.51 7.32 0.00 -1.26 -5.04 105.19 111.26 1r3i n GLY 57 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1r3i n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r3i s ILE 58 N -2.88 3.99 0.15 -0.61 -1.09 -1.14 -5.07 121.20 114.56 1r3i s ILE 58 Ca 0.00 -0.32 -0.33 0.00 -2.23 0.00 0.00 60.65 57.76 1r3i s ILE 58 Cb 0.00 -2.76 -0.16 0.00 -1.58 0.00 0.00 42.46 37.96 1r3i s ILE 58 CO 0.00 0.48 1.16 -2.65 -1.23 0.00 0.00 174.94 172.70 1r3i n PRO 59 N 3.59 1.07 0.20 2.79 -0.02 -1.26 -4.82 135.00 136.54 1r3i n PRO 59 Ca -0.17 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1r3i n PRO 59 Cb 0.52 -1.88 0.69 0.00 -0.02 0.00 0.00 33.50 32.81 1r3i n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r3i h SER 60 N 3.42 0.00 0.39 2.55 4.64 -1.97 -2.29 113.55 120.29 1r3i h SER 60 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r3i h SER 60 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1r3i h SER 60 CO 0.70 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.55 1r3i n ARG 61 N -2.40 0.24 -3.52 4.77 1.85 -1.26 -4.67 116.66 111.67 1r3i n ARG 61 Ca -0.02 0.11 -0.37 0.00 -1.00 0.00 0.00 57.85 56.58 1r3i n ARG 61 Cb 0.07 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.92 1r3i n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1r3i s PHE 62 N -2.62 3.54 0.13 2.89 0.08 -0.86 -0.74 117.98 120.39 1r3i s PHE 62 Ca 0.17 0.73 -0.13 0.00 0.12 0.00 0.00 56.93 57.82 1r3i s PHE 62 Cb 0.13 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1r3i s PHE 62 CO 0.30 0.36 0.33 -1.54 -0.10 0.00 0.00 175.22 174.57 1r3i s SER 63 N 0.01 -0.08 0.06 1.36 1.04 -0.52 -5.00 113.70 110.56 1r3i s SER 63 Ca 0.20 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1r3i s SER 63 Cb -0.14 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1r3i s SER 63 CO 0.07 -0.84 -0.07 -0.83 0.98 0.00 0.00 173.24 172.55 1r3i s GLY 64 N -2.85 0.59 0.17 7.32 0.00 -1.26 0.09 107.32 111.39 1r3i s GLY 64 Ca 0.06 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 1r3i s GLY 64 CO -0.09 -1.06 0.34 -1.35 0.00 0.00 0.00 173.10 170.94 1r3i s SER 65 N -2.15 -0.02 0.00 1.64 1.04 -0.24 -4.27 113.70 109.69 1r3i s SER 65 Ca -0.02 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1r3i s SER 65 Cb -0.04 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1r3i s SER 65 CO -0.02 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1r3i n GLY 66 N -0.24 2.50 3.59 7.32 0.00 -1.26 -0.90 105.19 116.20 1r3i n GLY 66 Ca -0.08 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 1r3i n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3i s SER 67 N 0.00 -0.18 0.28 1.61 1.04 -1.09 -4.86 113.70 110.49 1r3i s SER 67 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1r3i s SER 67 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1r3i s SER 67 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1r3i n GLY 68 N 0.17 1.46 0.00 7.32 0.00 0.18 -3.72 105.19 110.59 1r3i n GLY 68 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1r3i n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3i n THR 69 N 0.00 0.00 -3.92 2.61 -2.24 -1.26 -0.82 114.28 108.65 1r3i n THR 69 Ca 0.00 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 1r3i n THR 69 Cb 0.00 0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 1r3i n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1r3i s ASP 70 N -1.37 4.24 0.05 3.42 1.01 -1.24 -0.49 116.67 122.29 1r3i s ASP 70 Ca 0.00 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.91 1r3i s ASP 70 Cb 0.00 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 1r3i s ASP 70 CO 0.00 -0.02 -0.18 -0.36 0.21 0.00 0.00 175.17 174.82 1r3i s PHE 71 N 1.47 1.54 -0.02 4.23 0.40 0.71 -2.66 117.98 123.64 1r3i s PHE 71 Ca 0.06 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1r3i s PHE 71 Cb -0.14 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.49 1r3i s PHE 71 CO -0.04 0.09 -0.09 0.99 0.70 0.00 0.00 175.22 176.87 1r3i s THR 72 N -0.92 0.74 -0.22 0.64 2.01 -0.08 -0.49 115.64 117.34 1r3i s THR 72 Ca 0.04 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1r3i s THR 72 Cb -0.09 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1r3i s THR 72 CO 0.02 0.23 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.89 1r3i s LEU 73 N 0.08 2.80 0.15 4.42 2.96 -0.28 -1.08 118.68 127.73 1r3i s LEU 73 Ca -0.01 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1r3i s LEU 73 Cb -0.07 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1r3i s LEU 73 CO 0.00 -0.02 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.49 1r3i s SER 74 N 1.45 4.38 -0.14 3.68 0.01 0.11 -0.34 113.70 122.85 1r3i s SER 74 Ca 0.06 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1r3i s SER 74 Cb -0.14 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.32 1r3i s SER 74 CO -0.05 0.13 -0.00 -0.63 0.41 0.00 0.00 173.24 173.10 1r3i s ILE 75 N -1.49 0.65 0.14 1.44 1.01 -0.53 -1.44 121.20 120.98 1r3i s ILE 75 Ca 0.24 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 1r3i s ILE 75 Cb -0.10 -0.94 -0.07 0.00 0.01 0.00 0.00 42.46 41.36 1r3i s ILE 75 CO 0.15 0.06 0.85 0.20 0.00 0.00 0.00 174.94 176.20 1r3i s ASN 76 N 1.83 7.43 -0.70 3.58 -0.87 0.08 -1.28 114.94 125.01 1r3i s ASN 76 Ca 0.02 1.70 -0.07 0.00 -1.57 0.00 0.00 52.86 52.93 1r3i s ASN 76 Cb -0.15 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.56 1r3i s ASN 76 CO -0.07 0.09 0.65 -0.24 -2.57 0.00 0.00 177.10 174.96 1r3i n SER 77 N 2.12 -6.35 -4.72 -1.22 2.88 -0.80 -4.84 113.62 100.68 1r3i n SER 77 Ca -0.02 -0.36 -0.35 0.00 -1.33 0.00 0.00 58.87 56.81 1r3i n SER 77 Cb 0.49 -3.40 0.09 0.00 -0.75 0.00 0.00 64.21 60.64 1r3i n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1r3i s VAL 78 N -2.74 2.25 0.10 2.46 1.01 0.03 -4.66 120.40 118.86 1r3i s VAL 78 Ca 0.08 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1r3i s VAL 78 Cb -0.01 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1r3i s VAL 78 CO 0.83 -0.06 0.35 -1.83 0.00 0.00 0.00 175.10 174.39 1r3i s GLU 79 N -3.80 0.99 0.24 2.72 -1.05 -1.26 -1.24 118.70 115.31 1r3i s GLU 79 Ca 0.76 -0.71 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 1r3i s GLU 79 Cb -0.31 0.43 0.71 0.00 -0.44 0.00 0.00 34.13 34.52 1r3i s GLU 79 CO 0.44 -0.37 1.13 0.43 0.95 0.00 0.00 175.26 177.84 1r3i n SER 80 N -0.07 0.04 0.27 0.83 7.64 -1.26 0.12 113.62 121.20 1r3i n SER 80 Ca -0.16 1.21 0.18 0.00 1.01 0.00 0.00 58.87 61.11 1r3i n SER 80 Cb 0.63 -0.50 0.88 0.00 -1.01 0.00 0.00 64.21 64.22 1r3i n SER 80 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1r3i h GLU 81 N 0.00 0.00 -0.02 1.43 4.11 -1.81 -2.03 114.58 116.25 1r3i h GLU 81 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1r3i h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1r3i h GLU 81 CO -0.63 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.20 1r3i n ASP 82 N -2.89 0.34 -4.66 3.06 8.00 0.33 -4.79 116.55 115.94 1r3i n ASP 82 Ca -0.01 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.71 1r3i n ASP 82 Cb 0.16 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1r3i n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r3i s ILE 83 N -1.97 4.13 -0.47 0.53 1.01 -0.76 -4.80 121.20 118.86 1r3i s ILE 83 Ca 0.35 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1r3i s ILE 83 Cb 0.16 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1r3i s ILE 83 CO 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 174.94 175.07 1r3i n ALA 84 N 6.81 0.00 -2.85 9.38 0.00 -1.26 -4.72 120.51 127.88 1r3i n ALA 84 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 1r3i n ALA 84 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 1r3i n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r3i s ASN 85 N -2.65 6.17 -0.14 0.00 0.02 -0.59 -0.80 114.94 116.95 1r3i s ASN 85 Ca 0.00 0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.25 1r3i s ASN 85 Cb 0.00 -1.95 0.01 0.00 0.02 0.00 0.00 41.25 39.34 1r3i s ASN 85 CO 0.00 0.38 -0.20 -0.31 0.02 0.00 0.00 177.10 176.99 1r3i s TYR 86 N -1.04 2.54 0.03 2.20 1.51 0.14 -1.19 117.35 121.54 1r3i s TYR 86 Ca 0.16 -1.33 0.08 0.00 -1.01 0.00 0.00 57.07 54.98 1r3i s TYR 86 Cb -0.12 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1r3i s TYR 86 CO 0.06 -0.63 -0.22 0.71 -1.11 0.00 0.00 175.55 174.35 1r3i s TYR 87 N 0.98 2.44 0.22 2.71 1.51 -0.22 -1.24 117.35 123.75 1r3i s TYR 87 Ca -0.04 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1r3i s TYR 87 Cb -0.15 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1r3i s TYR 87 CO -0.05 0.15 0.17 0.00 -1.11 0.00 0.00 175.55 174.72 1r3i s GLN 89 N -3.57 0.34 -0.01 0.00 -0.44 0.49 -1.33 119.66 115.14 1r3i s GLN 89 Ca 0.32 0.49 0.02 0.00 -2.50 0.00 0.00 55.36 53.69 1r3i s GLN 89 Cb -0.09 0.10 -0.03 0.00 -1.64 0.00 0.00 33.01 31.35 1r3i s GLN 89 CO 0.24 -0.08 -0.05 1.14 0.50 0.00 0.00 175.29 177.04 1r3i s GLN 90 N 0.51 2.64 -0.10 1.67 1.03 -0.65 -0.11 119.66 124.65 1r3i s GLN 90 Ca -0.03 -0.66 0.14 0.00 0.04 0.00 0.00 55.36 54.85 1r3i s GLN 90 Cb -0.04 -2.56 0.28 0.00 0.03 0.00 0.00 33.01 30.71 1r3i s GLN 90 CO -0.03 0.62 1.14 -1.13 -2.54 0.00 0.00 175.29 173.35 1r3i n SER 91 N 1.68 1.49 0.00 12.60 3.41 -0.75 -3.22 113.62 128.84 1r3i n SER 91 Ca -0.16 -2.90 -0.17 0.00 -0.26 0.00 0.00 58.87 55.38 1r3i n SER 91 Cb 0.53 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1r3i n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1r3i h ASN 92 N 0.37 0.56 -4.24 4.04 -1.24 -1.88 -3.46 115.58 109.73 1r3i h ASN 92 Ca -0.03 -0.75 -0.40 0.00 0.71 0.00 0.00 56.30 55.83 1r3i h ASN 92 Cb 1.21 -0.17 -0.26 0.00 0.73 0.00 0.00 38.32 39.83 1r3i h ASN 92 CO 0.01 1.23 -0.78 -0.13 -1.29 0.00 0.00 177.43 176.47 1r3i s ARG 93 N -3.26 0.81 0.27 6.67 0.52 -1.26 -5.14 118.95 117.56 1r3i s ARG 93 Ca -0.13 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 1r3i s ARG 93 Cb 0.04 -0.77 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 1r3i s ARG 93 CO 0.83 0.20 1.05 -0.46 0.02 0.00 0.00 175.30 176.93 1r3i s TRP 94 N -0.60 3.70 0.50 -0.53 -0.00 -1.26 -3.98 118.94 116.77 1r3i s TRP 94 Ca 0.01 1.77 -0.06 0.00 -0.00 0.00 0.00 56.10 57.82 1r3i s TRP 94 Cb -0.06 -3.18 -0.03 0.00 -0.00 0.00 0.00 33.47 30.19 1r3i s TRP 94 CO 0.00 -0.23 0.82 -1.25 -0.00 0.00 0.00 176.95 176.29 1r3i s PRO 95 N -1.41 3.52 0.52 5.86 0.04 -1.26 -4.88 135.00 137.39 1r3i s PRO 95 Ca 0.44 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 1r3i s PRO 95 Cb -0.30 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 1r3i s PRO 95 CO 0.38 -0.27 1.25 -0.06 0.04 0.00 0.00 177.00 178.34 1r3i s PHE 96 N -2.80 2.53 0.07 0.56 2.99 -1.26 -4.77 117.98 115.29 1r3i s PHE 96 Ca 0.48 1.47 0.00 0.00 0.00 0.00 0.00 56.93 58.88 1r3i s PHE 96 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 43.02 39.30 1r3i s PHE 96 CO 0.46 -2.23 -0.05 0.95 -0.00 0.00 0.00 175.22 174.35 1r3i s THR 97 N -1.46 0.41 0.20 0.64 -4.23 -1.20 -4.99 115.64 105.01 1r3i s THR 97 Ca 0.70 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 1r3i s THR 97 Cb -0.34 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1r3i s THR 97 CO 0.40 -0.89 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.13 1r3i s PHE 98 N -3.51 2.59 0.60 3.99 0.08 -1.26 -1.64 117.98 118.83 1r3i s PHE 98 Ca 0.06 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 1r3i s PHE 98 Cb 0.05 -1.24 -0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1r3i s PHE 98 CO -0.07 0.54 0.93 0.20 -0.10 0.00 0.00 175.22 176.72 1r3i s GLY 99 N -2.98 1.60 0.45 4.36 0.00 -0.44 -4.56 107.32 105.74 1r3i s GLY 99 Ca 0.26 -0.56 0.31 0.00 0.00 0.00 0.00 44.72 44.73 1r3i s GLY 99 CO 0.15 -0.28 1.92 1.48 0.00 0.00 0.00 173.10 176.38 1r3i h SER 100 N -0.22 0.00 -4.81 1.64 4.64 -1.89 -3.44 113.55 109.48 1r3i h SER 100 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1r3i h SER 100 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1r3i h SER 100 CO 0.61 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1r3i n GLY 101 N -0.39 1.24 2.82 -0.77 0.00 -1.26 -5.06 105.19 101.77 1r3i n GLY 101 Ca 0.00 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 1r3i n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r3i s THR 102 N -2.56 0.34 -0.02 2.61 2.01 -0.37 -4.70 115.64 112.94 1r3i s THR 102 Ca 0.00 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 1r3i s THR 102 Cb 0.00 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1r3i s THR 102 CO 0.00 0.21 0.56 -0.75 -0.69 0.00 0.00 174.62 173.94 1r3i s LYS 103 N 1.32 4.28 -0.09 4.92 2.20 -0.18 0.27 119.74 132.47 1r3i s LYS 103 Ca -0.05 0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 56.08 1r3i s LYS 103 Cb -0.13 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1r3i s LYS 103 CO -0.02 0.36 0.33 -1.17 -0.36 0.00 0.00 175.35 174.49 1r3i s LEU 104 N -0.12 4.36 -0.05 5.43 2.96 0.02 -1.19 118.68 130.08 1r3i s LEU 104 Ca 0.29 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1r3i s LEU 104 Cb -0.17 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.10 1r3i s LEU 104 CO 0.16 0.22 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.65 1r3i s GLU 105 N -0.32 0.98 -0.14 1.98 2.12 0.53 -4.02 118.70 119.83 1r3i s GLU 105 Ca 0.20 -0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 1r3i s GLU 105 Cb -0.14 -0.94 -0.04 0.00 0.26 0.00 0.00 34.13 33.26 1r3i s GLU 105 CO 0.08 -0.07 0.08 0.42 -0.54 0.00 0.00 175.26 175.24 1r3i s ILE 106 N 0.89 5.01 -0.47 -3.70 1.01 -1.26 -0.77 121.20 121.91 1r3i s ILE 106 Ca -0.11 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1r3i s ILE 106 Cb -0.15 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.18 1r3i s ILE 106 CO 0.01 0.55 0.42 -0.54 0.00 0.00 0.00 174.94 175.37 1r3i s LYS 107 N -0.39 3.01 0.57 2.79 1.02 0.12 -4.91 119.74 121.94 1r3i s LYS 107 Ca 0.10 -1.19 0.07 0.00 0.02 0.00 0.00 55.97 54.96 1r3i s LYS 107 Cb -0.12 -4.09 0.06 0.00 -0.52 0.00 0.00 37.83 33.16 1r3i s LYS 107 CO 0.02 -1.01 0.54 -0.98 -0.92 0.00 0.00 175.35 173.00 1r3i s ARG 108 N 1.83 2.23 0.47 1.68 1.70 -1.26 -4.11 118.95 121.49 1r3i s ARG 108 Ca 0.06 -1.96 -0.22 0.00 -0.47 0.00 0.00 55.73 53.14 1r3i s ARG 108 Cb -0.22 -2.24 -0.07 0.00 -0.57 0.00 0.00 34.95 31.84 1r3i s ARG 108 CO 0.08 -0.76 1.15 0.00 -1.08 0.00 0.00 175.30 174.70 1r3i s ALA 109 N -2.78 2.94 0.65 7.88 0.00 -1.26 -4.95 121.76 124.24 1r3i s ALA 109 Ca 0.41 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 1r3i s ALA 109 Cb -0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1r3i s ALA 109 CO 0.26 -0.64 1.19 -0.25 0.00 0.00 0.00 175.76 176.33 1r3i n ASP 110 N -0.58 1.64 -3.69 0.00 8.00 -1.26 -4.78 116.55 115.87 1r3i n ASP 110 Ca 0.08 0.80 -0.11 0.00 0.71 0.00 0.00 54.79 56.28 1r3i n ASP 110 Cb 0.49 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 39.97 1r3i n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3i s ALA 111 N -1.46 -0.95 0.44 2.24 0.00 0.65 -4.89 121.76 117.79 1r3i s ALA 111 Ca 0.81 1.39 -0.23 0.00 0.00 0.00 0.00 51.96 53.93 1r3i s ALA 111 Cb -0.38 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.71 1r3i s ALA 111 CO 0.42 -0.36 1.10 0.00 0.00 0.00 0.00 175.76 176.93 1r3i s ALA 112 N 1.64 3.01 0.63 0.00 0.00 -1.26 -1.24 121.76 124.54 1r3i s ALA 112 Ca -0.08 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1r3i s ALA 112 Cb -0.10 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1r3i s ALA 112 CO -0.12 -0.44 1.11 -1.25 0.00 0.00 0.00 175.76 175.06 1r3i s PRO 113 N -2.67 2.95 -0.31 0.00 0.04 -1.26 -4.59 135.00 129.17 1r3i s PRO 113 Ca 0.62 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1r3i s PRO 113 Cb -0.25 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1r3i s PRO 113 CO 0.30 -1.13 0.18 0.99 0.04 0.00 0.00 177.00 177.38 1r3i s THR 114 N -2.27 4.93 -0.02 1.26 2.01 0.14 -4.85 115.64 116.84 1r3i s THR 114 Ca 0.67 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.45 1r3i s THR 114 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1r3i s THR 114 CO 0.39 0.12 0.14 -0.69 -0.69 0.00 0.00 174.62 173.89 1r3i s VAL 115 N 1.68 5.18 -0.10 3.82 1.01 -1.25 -1.15 120.40 129.59 1r3i s VAL 115 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1r3i s VAL 115 Cb -0.17 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1r3i s VAL 115 CO 0.08 0.37 0.25 -0.44 0.00 0.00 0.00 175.10 175.36 1r3i s SER 116 N -1.76 -0.26 0.06 3.32 0.01 -0.82 -4.97 113.70 109.28 1r3i s SER 116 Ca 0.24 0.51 0.09 0.00 1.31 0.00 0.00 55.95 58.10 1r3i s SER 116 Cb -0.12 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1r3i s SER 116 CO 0.15 -0.11 -0.24 -0.51 0.41 0.00 0.00 173.24 172.94 1r3i s ILE 117 N 0.41 2.32 -0.05 1.44 2.07 -1.26 -0.89 121.20 125.24 1r3i s ILE 117 Ca -0.02 -1.40 0.02 0.00 -1.41 0.00 0.00 60.65 57.84 1r3i s ILE 117 Cb -0.04 -1.95 0.01 0.00 0.13 0.00 0.00 42.46 40.62 1r3i s ILE 117 CO -0.02 0.31 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.88 1r3i s PHE 118 N -0.88 1.10 0.55 3.50 0.40 0.16 -4.99 117.98 117.83 1r3i s PHE 118 Ca 0.13 -0.36 -0.17 0.00 -0.60 0.00 0.00 56.93 55.93 1r3i s PHE 118 Cb -0.10 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1r3i s PHE 118 CO 0.04 -0.21 1.04 -2.14 0.70 0.00 0.00 175.22 174.65 1r3i s PRO 119 N 0.65 3.52 0.75 0.24 0.02 -1.26 -2.13 135.00 136.79 1r3i s PRO 119 Ca -0.11 1.22 -0.15 0.00 0.02 0.00 0.00 61.00 61.97 1r3i s PRO 119 Cb -0.14 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.36 1r3i s PRO 119 CO 0.02 -0.65 1.21 -0.35 -0.33 0.00 0.00 177.00 176.90 1r3i n PRO 120 N -1.69 0.52 -2.39 5.54 -0.04 -1.22 -4.86 135.00 130.87 1r3i n PRO 120 Ca 0.09 0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 63.47 1r3i n PRO 120 Cb 0.53 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1r3i n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r3i s SER 121 N -1.83 6.53 0.38 3.54 1.04 -1.26 -4.93 113.70 117.17 1r3i s SER 121 Ca 0.77 1.62 0.08 0.00 0.48 0.00 0.00 55.95 58.90 1r3i s SER 121 Cb -0.33 -2.52 0.77 0.00 0.10 0.00 0.00 66.02 64.05 1r3i s SER 121 CO 0.47 -0.65 1.94 0.77 0.98 0.00 0.00 173.24 176.75 1r3i h SER 122 N 0.95 0.33 -0.45 7.02 4.64 -1.99 -1.55 113.55 122.50 1r3i h SER 122 Ca -0.47 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.72 1r3i h SER 122 Cb 1.19 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1r3i h SER 122 CO 0.61 0.41 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.64 1r3i h GLU 123 N 0.35 0.86 0.01 4.77 3.07 -1.99 -1.53 114.58 120.12 1r3i h GLU 123 Ca 0.08 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1r3i h GLU 123 Cb 0.27 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1r3i h GLU 123 CO 0.01 0.87 -0.01 0.37 -1.40 0.00 0.00 179.01 178.85 1r3i h GLN 124 N 0.80 -0.02 -0.98 2.33 4.15 -1.69 -3.11 115.11 116.59 1r3i h GLN 124 Ca 0.15 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.75 1r3i h GLN 124 Cb 0.49 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 1r3i h GLN 124 CO 0.02 0.49 0.61 -0.07 -1.93 0.00 0.00 178.83 177.96 1r3i h LEU 125 N -0.53 0.73 -2.53 -2.39 3.38 -1.03 0.37 115.31 113.30 1r3i h LEU 125 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r3i h LEU 125 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1r3i h LEU 125 CO 0.00 0.29 0.10 0.74 0.09 0.00 0.00 178.44 179.66 1r3i h THR 126 N 0.73 0.00 -0.56 0.22 2.02 -1.21 0.02 112.91 114.13 1r3i h THR 126 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1r3i h THR 126 Cb 0.88 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1r3i h THR 126 CO -0.31 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.04 1r3i n SER 127 N -2.92 4.64 -0.15 4.18 3.41 0.13 -4.94 113.62 117.97 1r3i n SER 127 Ca -0.03 -2.55 -0.02 0.00 -0.26 0.00 0.00 58.87 56.01 1r3i n SER 127 Cb 0.16 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1r3i n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3i n GLY 128 N 0.78 0.55 3.29 5.00 0.00 -0.01 -5.03 105.19 109.77 1r3i n GLY 128 Ca 0.24 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1r3i n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3i s GLY 129 N -2.66 1.38 -0.22 -0.02 0.00 -1.20 -2.96 107.32 101.64 1r3i s GLY 129 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 1r3i s GLY 129 CO 0.00 -1.60 0.52 0.00 0.00 0.00 0.00 173.10 172.02 1r3i s ALA 130 N -3.51 -1.44 -0.09 3.20 0.00 -0.69 -2.57 121.76 116.66 1r3i s ALA 130 Ca 0.26 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1r3i s ALA 130 Cb 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1r3i s ALA 130 CO 0.06 -0.48 -0.14 -1.12 0.00 0.00 0.00 175.76 174.08 1r3i s SER 131 N 1.90 2.14 -0.25 0.00 0.01 -1.26 -0.64 113.70 115.61 1r3i s SER 131 Ca -0.08 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 56.73 1r3i s SER 131 Cb -0.09 -0.96 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1r3i s SER 131 CO -0.16 0.02 0.12 -0.69 0.41 0.00 0.00 173.24 172.95 1r3i s VAL 132 N 0.84 4.86 -0.09 3.43 1.01 0.81 -3.38 120.40 127.88 1r3i s VAL 132 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1r3i s VAL 132 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1r3i s VAL 132 CO 0.01 0.33 -0.02 -0.69 0.00 0.00 0.00 175.10 174.73 1r3i s VAL 133 N 1.39 4.10 -0.03 2.92 1.01 -0.91 -0.79 120.40 128.10 1r3i s VAL 133 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1r3i s VAL 133 Cb -0.15 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1r3i s VAL 133 CO 0.06 0.59 -0.14 0.00 0.00 0.00 0.00 175.10 175.60 1r3i s PHE 135 N -0.05 2.57 -0.49 0.00 0.08 -0.07 -0.94 117.98 119.08 1r3i s PHE 135 Ca -0.00 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.34 1r3i s PHE 135 Cb -0.09 -1.68 0.13 0.00 -0.57 0.00 0.00 43.02 40.81 1r3i s PHE 135 CO 0.01 -0.23 0.24 -0.51 -0.10 0.00 0.00 175.22 174.63 1r3i s LEU 136 N 0.01 4.64 0.03 -0.37 2.01 0.51 -1.94 118.68 123.57 1r3i s LEU 136 Ca -0.08 -2.73 0.00 0.00 0.01 0.00 0.00 54.13 51.34 1r3i s LEU 136 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 1r3i s LEU 136 CO 0.05 -0.31 0.14 0.20 1.01 0.00 0.00 176.35 177.44 1r3i s ASN 137 N 0.29 5.97 -1.15 2.29 0.02 -0.30 -0.34 114.94 121.71 1r3i s ASN 137 Ca 0.15 0.18 -0.25 0.00 -1.02 0.00 0.00 52.86 51.92 1r3i s ASN 137 Cb -0.23 -1.76 0.01 0.00 0.02 0.00 0.00 41.25 39.29 1r3i s ASN 137 CO -0.03 0.22 0.75 0.59 0.02 0.00 0.00 177.10 178.65 1r3i n ASN 138 N 0.70 -4.95 -4.58 -1.22 3.02 -0.86 -0.69 115.26 106.68 1r3i n ASN 138 Ca -0.09 -1.11 -0.26 0.00 -0.03 0.00 0.00 54.58 53.09 1r3i n ASN 138 Cb 0.52 -2.76 -0.10 0.00 -0.61 0.00 0.00 39.78 36.83 1r3i n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1r3i s PHE 139 N -3.47 2.46 -0.28 3.10 -0.12 -0.16 -4.59 117.98 114.93 1r3i s PHE 139 Ca 0.47 -0.53 -0.20 0.00 -0.05 0.00 0.00 56.93 56.62 1r3i s PHE 139 Cb -0.20 -1.51 0.12 0.00 -0.63 0.00 0.00 43.02 40.79 1r3i s PHE 139 CO 0.90 0.52 0.93 -0.47 -0.05 0.00 0.00 175.22 177.05 1r3i s TYR 140 N -2.61 -0.64 1.30 3.49 6.14 -0.37 -0.32 117.35 124.34 1r3i s TYR 140 Ca 0.34 1.38 -0.17 0.00 0.64 0.00 0.00 57.07 59.26 1r3i s TYR 140 Cb 0.04 0.39 0.34 0.00 0.42 0.00 0.00 41.96 43.15 1r3i s TYR 140 CO 0.18 -0.31 0.97 -1.25 0.64 0.00 0.00 175.55 175.77 1r3i s PRO 141 N 0.91 -2.01 0.05 4.97 0.04 -1.26 -0.25 135.00 137.44 1r3i s PRO 141 Ca -0.04 0.59 0.25 0.00 0.04 0.00 0.00 61.00 61.84 1r3i s PRO 141 Cb -0.04 -1.45 1.03 0.00 0.04 0.00 0.00 34.50 34.08 1r3i s PRO 141 CO -0.11 -4.38 1.80 0.36 0.04 0.00 0.00 177.00 174.71 1r3i n LYS 142 N -5.35 0.05 -2.40 4.56 2.85 -1.26 -4.79 118.16 111.82 1r3i n LYS 142 Ca 0.06 0.11 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1r3i n LYS 142 Cb 0.56 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 1r3i n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r3i s ASP 143 N -3.30 6.98 -0.01 -5.58 1.01 -1.26 -4.99 116.67 109.54 1r3i s ASP 143 Ca 0.12 1.85 -0.29 0.00 0.71 0.00 0.00 52.55 54.93 1r3i s ASP 143 Cb 0.16 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.61 1r3i s ASP 143 CO 0.48 -0.66 0.70 -0.51 0.21 0.00 0.00 175.17 175.40 1r3i s ILE 144 N 2.59 0.00 0.01 0.77 2.07 -1.26 -4.60 121.20 120.77 1r3i s ILE 144 Ca 0.57 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.87 1r3i s ILE 144 Cb -0.25 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.32 1r3i s ILE 144 CO 0.21 0.00 -0.16 0.20 -1.91 0.00 0.00 174.94 173.28 1r3i s ASN 145 N -1.66 1.94 -0.06 4.50 0.01 -1.05 -5.02 114.94 113.60 1r3i s ASN 145 Ca -0.06 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 51.77 1r3i s ASN 145 Cb -0.00 -0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.47 1r3i s ASN 145 CO 0.02 0.15 -0.22 0.54 -1.51 0.00 0.00 177.10 176.08 1r3i s VAL 146 N -0.57 1.85 -0.02 1.60 0.11 -1.26 -1.57 120.40 120.53 1r3i s VAL 146 Ca 0.05 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 1r3i s VAL 146 Cb -0.07 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1r3i s VAL 146 CO 0.00 0.52 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.32 1r3i s LYS 147 N -0.00 1.89 0.06 1.54 2.20 0.12 -4.93 119.74 120.62 1r3i s LYS 147 Ca -0.06 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.79 1r3i s LYS 147 Cb -0.14 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1r3i s LYS 147 CO 0.04 0.46 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.88 1r3i s TRP 148 N -0.46 2.94 -0.08 4.03 0.52 -1.26 -0.60 118.94 124.03 1r3i s TRP 148 Ca 0.07 -0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.11 1r3i s TRP 148 Cb -0.09 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1r3i s TRP 148 CO -0.00 0.44 0.19 0.15 0.02 0.00 0.00 176.95 177.75 1r3i s LYS 149 N -1.95 0.15 -0.15 4.98 1.02 -0.95 0.38 119.74 123.22 1r3i s LYS 149 Ca 0.22 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.63 1r3i s LYS 149 Cb -0.11 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1r3i s LYS 149 CO 0.14 -0.16 -0.11 0.42 -0.92 0.00 0.00 175.35 174.72 1r3i s ILE 150 N 1.18 3.19 -1.51 2.17 1.01 -0.22 -1.48 121.20 125.53 1r3i s ILE 150 Ca -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1r3i s ILE 150 Cb -0.11 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 40.04 1r3i s ILE 150 CO -0.07 0.50 0.40 0.47 0.00 0.00 0.00 174.94 176.25 1r3i n ASP 151 N 3.77 -0.66 0.00 3.58 8.00 -0.28 -1.29 116.55 129.66 1r3i n ASP 151 Ca -0.18 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1r3i n ASP 151 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 1r3i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3i n GLY 152 N -1.97 3.00 3.76 0.44 0.00 -1.26 -5.01 105.19 104.15 1r3i n GLY 152 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1r3i n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3i s SER 153 N -0.84 6.35 0.31 1.61 0.01 -0.42 -4.99 113.70 115.74 1r3i s SER 153 Ca 0.00 0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.39 1r3i s SER 153 Cb 0.00 -2.13 -0.13 0.00 0.21 0.00 0.00 66.02 63.97 1r3i s SER 153 CO 0.00 0.20 1.10 1.21 0.41 0.00 0.00 173.24 176.16 1r3i n GLU 154 N 3.18 1.60 -4.74 12.44 2.13 -1.26 -1.06 120.64 132.94 1r3i n GLU 154 Ca -0.15 0.56 -0.25 0.00 0.66 0.00 0.00 57.16 57.99 1r3i n GLU 154 Cb 0.52 -2.01 -0.16 0.00 0.27 0.00 0.00 31.44 30.07 1r3i n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1r3i s ARG 155 N -1.68 1.54 0.00 5.31 6.06 0.16 -4.79 118.95 125.54 1r3i s ARG 155 Ca 0.58 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 1r3i s ARG 155 Cb -0.65 -1.38 0.00 0.00 0.06 0.00 0.00 34.95 32.98 1r3i s ARG 155 CO 0.61 0.24 0.00 1.04 -2.50 0.00 0.00 175.30 174.69 1r3i n GLN 156 N 3.08 2.24 -2.58 5.12 6.02 -1.26 -4.05 117.38 125.94 1r3i n GLN 156 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.46 1r3i n GLN 156 Cb 0.53 -0.84 -0.04 0.00 1.02 0.00 0.00 30.24 30.91 1r3i n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r3i s ASN 157 N -1.79 6.75 -0.30 1.08 0.01 -1.26 -3.53 114.94 115.89 1r3i s ASN 157 Ca 0.00 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.13 1r3i s ASN 157 Cb 0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1r3i s ASN 157 CO 0.00 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 1r3i n GLY 158 N 0.18 0.55 3.51 0.66 0.00 -1.26 -4.83 105.19 104.00 1r3i n GLY 158 Ca 0.06 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1r3i n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3i s VAL 159 N -1.85 4.71 -0.12 1.61 1.01 -1.23 -0.80 120.40 123.73 1r3i s VAL 159 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1r3i s VAL 159 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1r3i s VAL 159 CO 0.00 0.31 -0.23 -0.76 0.00 0.00 0.00 175.10 174.43 1r3i s LEU 160 N 1.59 2.08 0.25 3.92 1.43 -0.57 -4.96 118.68 122.42 1r3i s LEU 160 Ca 0.06 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1r3i s LEU 160 Cb -0.15 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1r3i s LEU 160 CO 0.06 0.12 0.12 0.20 0.23 0.00 0.00 176.35 177.08 1r3i s ASN 161 N 0.59 5.18 -0.11 2.29 0.01 -1.26 -0.87 114.94 120.77 1r3i s ASN 161 Ca -0.13 -0.38 -0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1r3i s ASN 161 Cb -0.17 -1.21 0.03 0.00 0.41 0.00 0.00 41.25 40.31 1r3i s ASN 161 CO 0.03 -0.02 0.29 -0.55 -1.51 0.00 0.00 177.10 175.35 1r3i s SER 162 N -3.74 -0.30 0.01 -1.22 0.15 -0.28 -4.98 113.70 103.35 1r3i s SER 162 Ca 0.32 0.59 0.07 0.00 0.70 0.00 0.00 55.95 57.63 1r3i s SER 162 Cb -0.07 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1r3i s SER 162 CO 0.23 -0.10 -0.21 0.26 1.20 0.00 0.00 173.24 174.62 1r3i s TRP 163 N 0.17 1.84 0.25 3.44 0.51 -1.26 -0.65 118.94 123.24 1r3i s TRP 163 Ca -0.00 -0.36 -0.03 0.00 -2.12 0.00 0.00 56.10 53.59 1r3i s TRP 163 Cb -0.02 -1.14 -0.05 0.00 -0.81 0.00 0.00 33.47 31.45 1r3i s TRP 163 CO 0.00 0.03 0.48 0.95 -0.51 0.00 0.00 176.95 177.90 1r3i s THR 164 N -0.63 5.11 0.95 2.01 -4.23 -0.79 -5.01 115.64 113.05 1r3i s THR 164 Ca 0.08 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1r3i s THR 164 Cb -0.08 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.18 1r3i s THR 164 CO 0.00 -0.26 1.10 -1.81 -0.54 0.00 0.00 174.62 173.12 1r3i s ASP 165 N -3.18 3.09 0.19 3.99 1.11 -1.26 -4.47 116.67 116.14 1r3i s ASP 165 Ca 0.41 1.19 -0.33 0.00 0.18 0.00 0.00 52.55 54.01 1r3i s ASP 165 Cb -0.11 -1.85 -0.14 0.00 1.07 0.00 0.00 42.92 41.89 1r3i s ASP 165 CO 0.30 -2.84 1.40 1.67 1.18 0.00 0.00 175.17 176.87 1r3i n GLN 166 N -3.98 1.82 -2.22 8.23 7.27 -1.26 -4.78 117.38 122.45 1r3i n GLN 166 Ca 0.06 0.65 -0.42 0.00 0.07 0.00 0.00 57.00 57.36 1r3i n GLN 166 Cb 0.57 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.89 1r3i n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1r3i s ASP 167 N 0.40 6.87 0.00 1.69 2.15 0.13 -4.91 116.67 123.00 1r3i s ASP 167 Ca 0.73 2.23 0.28 0.00 0.43 0.00 0.00 52.55 56.23 1r3i s ASP 167 Cb -0.72 -2.58 1.68 0.00 -0.30 0.00 0.00 42.92 41.00 1r3i s ASP 167 CO 0.47 -0.63 2.08 -1.54 -0.17 0.00 0.00 175.17 175.38 1r3i n SER 168 N 4.21 0.00 -0.05 -0.34 3.41 -1.26 -0.57 113.62 119.02 1r3i n SER 168 Ca 0.11 -1.11 -0.19 0.00 -0.26 0.00 0.00 58.87 57.42 1r3i n SER 168 Cb 0.43 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1r3i n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r3i n LYS 169 N -0.94 0.71 -0.01 4.33 4.76 -1.26 -2.49 118.16 123.26 1r3i n LYS 169 Ca 0.21 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1r3i n LYS 169 Cb 0.10 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1r3i n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1r3i n ASP 170 N -3.36 0.00 -0.88 4.39 5.75 -1.22 -4.85 116.55 116.38 1r3i n ASP 170 Ca -0.36 -1.02 -0.11 0.00 -0.01 0.00 0.00 54.79 53.29 1r3i n ASP 170 Cb 1.03 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 41.07 1r3i n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1r3i n SER 171 N 0.00 -4.73 -5.03 -1.12 7.64 0.27 -4.99 113.62 105.66 1r3i n SER 171 Ca 0.00 0.28 -0.20 0.00 1.01 0.00 0.00 58.87 59.96 1r3i n SER 171 Cb 0.50 -3.24 0.07 0.00 -1.01 0.00 0.00 64.21 60.53 1r3i n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1r3i s THR 172 N -2.31 2.01 0.29 0.44 -4.23 -1.26 -4.66 115.64 105.92 1r3i s THR 172 Ca 0.00 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1r3i s THR 172 Cb 0.00 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 1r3i s THR 172 CO 0.00 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.68 1r3i s TYR 173 N -2.73 2.10 0.11 3.99 1.51 0.57 -0.69 117.35 122.21 1r3i s TYR 173 Ca 0.63 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1r3i s TYR 173 Cb -0.05 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1r3i s TYR 173 CO 0.40 0.41 0.16 -1.12 -1.11 0.00 0.00 175.55 174.29 1r3i s SER 174 N -3.49 0.19 -0.04 2.29 0.01 -1.26 -0.99 113.70 110.41 1r3i s SER 174 Ca 0.30 -0.88 -0.22 0.00 1.31 0.00 0.00 55.95 56.46 1r3i s SER 174 Cb 0.02 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.64 1r3i s SER 174 CO 0.13 -0.76 0.48 -0.32 0.41 0.00 0.00 173.24 173.18 1r3i s MET 175 N -3.94 0.82 0.05 12.44 0.00 0.54 -1.88 119.30 127.34 1r3i s MET 175 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 55.69 55.95 1r3i s MET 175 Cb 0.05 0.38 -0.03 0.00 0.00 0.00 0.00 34.83 35.24 1r3i s MET 175 CO -0.05 -0.24 -0.23 -1.54 0.00 0.00 0.00 175.02 172.96 1r3i s SER 176 N -1.16 2.76 -0.13 1.11 1.04 0.18 -0.36 113.70 117.13 1r3i s SER 176 Ca -0.12 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1r3i s SER 176 Cb -0.03 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.89 1r3i s SER 176 CO 0.06 0.20 -0.04 -0.55 0.98 0.00 0.00 173.24 173.89 1r3i s SER 177 N -1.23 2.32 -0.22 7.02 0.15 -0.11 -1.12 113.70 120.51 1r3i s SER 177 Ca 0.09 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 56.33 1r3i s SER 177 Cb -0.09 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.48 1r3i s SER 177 CO 0.02 -0.17 -0.12 -0.89 1.20 0.00 0.00 173.24 173.28 1r3i s THR 178 N 1.75 2.54 -0.30 6.45 2.01 -0.05 -0.89 115.64 127.14 1r3i s THR 178 Ca 0.03 -0.99 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 1r3i s THR 178 Cb -0.14 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1r3i s THR 178 CO -0.07 0.34 0.43 -0.22 -0.69 0.00 0.00 174.62 174.40 1r3i s LEU 179 N 1.31 4.20 -0.22 4.42 2.96 0.03 -1.50 118.68 129.87 1r3i s LEU 179 Ca 0.02 0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1r3i s LEU 179 Cb -0.15 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 1r3i s LEU 179 CO -0.08 -0.31 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.71 1r3i s THR 180 N 2.18 3.33 0.27 3.68 2.01 0.02 -0.14 115.64 126.99 1r3i s THR 180 Ca 0.16 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.70 1r3i s THR 180 Cb -0.16 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 1r3i s THR 180 CO 0.11 0.43 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 1r3i s LEU 181 N 1.47 2.29 0.81 4.42 1.43 0.19 -4.70 118.68 124.59 1r3i s LEU 181 Ca 0.06 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 1r3i s LEU 181 Cb -0.14 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 45.73 1r3i s LEU 181 CO -0.04 -0.47 1.13 0.42 0.23 0.00 0.00 176.35 177.63 1r3i s THR 182 N -3.25 2.55 0.15 5.49 -4.23 -1.26 -1.70 115.64 113.40 1r3i s THR 182 Ca 0.31 0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1r3i s THR 182 Cb 0.06 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1r3i s THR 182 CO 0.11 -0.23 1.75 0.50 -0.54 0.00 0.00 174.62 176.21 1r3i h LYS 183 N -1.07 0.62 0.26 3.99 3.64 -1.78 -1.58 116.57 120.65 1r3i h LYS 183 Ca -0.47 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1r3i h LYS 183 Cb 1.30 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1r3i h LYS 183 CO 0.63 0.50 -0.30 -0.44 -2.27 0.00 0.00 179.45 177.57 1r3i h ASP 184 N 0.58 -0.85 -0.94 4.20 5.19 -1.92 0.32 116.42 122.99 1r3i h ASP 184 Ca 0.16 0.07 0.27 0.00 -0.62 0.00 0.00 57.03 56.90 1r3i h ASP 184 Cb 0.06 0.29 -0.14 0.00 0.18 0.00 0.00 39.33 39.71 1r3i h ASP 184 CO -0.02 -0.39 0.43 -0.08 -3.12 0.00 0.00 179.24 176.06 1r3i h GLU 185 N -0.58 0.32 -0.39 3.56 4.57 -1.92 0.20 114.58 120.34 1r3i h GLU 185 Ca -0.03 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 1r3i h GLU 185 Cb 0.51 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1r3i h GLU 185 CO -0.06 0.21 -0.33 -0.92 -1.18 0.00 0.00 179.01 176.74 1r3i h TYR 186 N 0.33 1.05 0.00 0.92 3.20 -0.76 -3.19 116.97 118.52 1r3i h TYR 186 Ca 0.63 -0.29 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 1r3i h TYR 186 Cb 1.32 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1r3i h TYR 186 CO -0.12 1.09 -0.27 0.93 -1.64 0.00 0.00 178.16 178.15 1r3i h GLU 187 N 0.74 0.00 -1.71 1.82 4.39 0.28 -3.18 114.58 116.92 1r3i h GLU 187 Ca 0.07 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.11 1r3i h GLU 187 Cb 0.90 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.30 1r3i h GLU 187 CO 0.08 0.27 0.86 2.89 -1.16 0.00 0.00 179.01 181.95 1r3i n ARG 188 N -4.16 2.60 -3.65 2.33 1.85 -0.79 -4.86 116.66 109.98 1r3i n ARG 188 Ca -0.02 -3.11 -0.15 0.00 -1.00 0.00 0.00 57.85 53.57 1r3i n ARG 188 Cb 0.32 -2.20 -0.08 0.00 -1.05 0.00 0.00 32.46 29.45 1r3i n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1r3i s HIS 189 N -3.44 -0.57 0.00 2.89 3.76 -1.20 -5.04 115.29 111.69 1r3i s HIS 189 Ca 0.55 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1r3i s HIS 189 Cb 0.43 0.24 0.00 0.00 1.11 0.00 0.00 32.58 34.37 1r3i s HIS 189 CO -0.25 -0.39 0.00 -1.71 -0.85 0.00 0.00 174.74 171.54 1r3i n ASN 190 N 2.10 0.00 -4.72 1.40 4.05 -1.26 -4.76 115.26 112.06 1r3i n ASN 190 Ca -0.16 0.22 -0.31 0.00 0.45 0.00 0.00 54.58 54.78 1r3i n ASN 190 Cb 0.56 -0.43 -0.08 0.00 1.23 0.00 0.00 39.78 41.06 1r3i n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1r3i s SER 191 N -3.15 5.30 -0.04 1.20 1.04 -1.26 -1.37 113.70 115.42 1r3i s SER 191 Ca 0.00 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1r3i s SER 191 Cb 0.00 -1.39 -0.00 0.00 0.10 0.00 0.00 66.02 64.73 1r3i s SER 191 CO 0.00 0.22 -0.18 -0.31 0.98 0.00 0.00 173.24 173.95 1r3i s TYR 192 N -1.24 1.80 0.02 5.02 1.51 -0.70 -1.13 117.35 122.63 1r3i s TYR 192 Ca 0.24 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1r3i s TYR 192 Cb -0.12 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1r3i s TYR 192 CO 0.16 -0.17 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.30 1r3i s THR 193 N 0.01 0.31 -0.06 -0.71 -1.32 -0.55 -1.65 115.64 111.68 1r3i s THR 193 Ca -0.04 -0.68 0.06 0.00 -1.21 0.00 0.00 61.69 59.83 1r3i s THR 193 Cb -0.12 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 1r3i s THR 193 CO 0.02 -0.24 -0.24 0.00 -2.21 0.00 0.00 174.62 171.95 1r3i s GLU 195 N -0.18 1.76 -0.27 0.00 2.02 0.23 -1.72 118.70 120.54 1r3i s GLU 195 Ca -0.03 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 1r3i s GLU 195 Cb -0.14 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 1r3i s GLU 195 CO 0.03 -0.19 0.08 0.00 0.02 0.00 0.00 175.26 175.21 1r3i s ALA 196 N 1.40 3.15 -0.26 5.21 0.00 0.92 -0.70 121.76 131.49 1r3i s ALA 196 Ca 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 1r3i s ALA 196 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1r3i s ALA 196 CO -0.06 -0.63 0.12 0.99 0.00 0.00 0.00 175.76 176.19 1r3i s THR 197 N 1.59 4.80 -0.06 0.00 2.01 -0.61 -0.58 115.64 122.80 1r3i s THR 197 Ca 0.05 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.97 1r3i s THR 197 Cb -0.16 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1r3i s THR 197 CO 0.04 0.31 0.21 -2.28 -0.69 0.00 0.00 174.62 172.21 1r3i s HIS 198 N 1.53 -0.17 0.24 4.92 5.04 -1.26 -2.54 115.29 123.05 1r3i s HIS 198 Ca 0.06 0.40 0.14 0.00 -1.54 0.00 0.00 55.06 54.13 1r3i s HIS 198 Cb -0.15 0.05 0.89 0.00 0.04 0.00 0.00 32.58 33.41 1r3i s HIS 198 CO 0.06 -0.17 1.02 1.17 -2.34 0.00 0.00 174.74 174.48 1r3i n LYS 199 N 2.51 -0.04 0.00 2.88 4.81 -1.26 -0.37 118.16 126.68 1r3i n LYS 199 Ca -0.15 0.89 0.04 0.00 -0.87 0.00 0.00 58.31 58.21 1r3i n LYS 199 Cb 0.58 -1.61 0.22 0.00 0.02 0.00 0.00 35.03 34.24 1r3i n LYS 199 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r3i n THR 200 N -4.41 0.39 -3.63 3.15 -2.24 -1.26 -4.69 114.28 101.58 1r3i n THR 200 Ca 0.25 0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1r3i n THR 200 Cb 0.86 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 1r3i n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r3i s SER 201 N -2.26 -0.68 0.11 3.42 0.15 0.50 -4.95 113.70 109.98 1r3i s SER 201 Ca 0.10 1.31 -0.13 0.00 0.70 0.00 0.00 55.95 57.93 1r3i s SER 201 Cb 0.05 1.33 -0.09 0.00 -1.71 0.00 0.00 66.02 65.61 1r3i s SER 201 CO 0.10 -0.23 1.41 0.71 1.20 0.00 0.00 173.24 176.44 1r3i h THR 202 N 3.94 1.29 -3.46 6.45 1.35 -1.84 -3.39 112.91 117.25 1r3i h THR 202 Ca -0.29 -1.58 -0.54 0.00 -0.55 0.00 0.00 66.41 63.45 1r3i h THR 202 Cb 1.17 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.15 1r3i h THR 202 CO 0.07 0.51 0.15 -0.44 -0.25 0.00 0.00 175.52 175.56 1r3i s SER 203 N -6.73 7.30 0.63 5.36 0.01 -1.26 -4.98 113.70 114.03 1r3i s SER 203 Ca -0.12 1.55 -0.14 0.00 1.31 0.00 0.00 55.95 58.54 1r3i s SER 203 Cb 0.09 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1r3i s SER 203 CO 0.86 0.15 1.07 -2.16 0.41 0.00 0.00 173.24 173.57 1r3i s PRO 204 N -0.78 3.09 -0.11 12.44 0.04 -1.26 -4.84 135.00 143.57 1r3i s PRO 204 Ca 0.36 1.20 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1r3i s PRO 204 Cb -0.22 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1r3i s PRO 204 CO 0.24 -1.00 0.40 0.42 0.04 0.00 0.00 177.00 177.10 1r3i s ILE 205 N -2.56 5.20 -0.01 0.56 1.01 0.25 -4.89 121.20 120.77 1r3i s ILE 205 Ca 0.63 0.79 0.04 0.00 0.00 0.00 0.00 60.65 62.10 1r3i s ILE 205 Cb -0.17 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1r3i s ILE 205 CO 0.42 0.40 -0.12 0.68 0.00 0.00 0.00 174.94 176.32 1r3i s VAL 206 N 0.21 0.98 -0.02 2.92 -7.23 -1.26 -0.05 120.40 115.95 1r3i s VAL 206 Ca 0.22 -0.53 0.02 0.00 -1.81 0.00 0.00 61.98 59.88 1r3i s VAL 206 Cb -0.15 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1r3i s VAL 206 CO 0.09 0.28 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.55 1r3i s LYS 207 N -0.27 0.69 0.27 4.82 -0.14 -0.70 -4.99 119.74 119.42 1r3i s LYS 207 Ca 0.04 -0.21 0.03 0.00 -1.36 0.00 0.00 55.97 54.47 1r3i s LYS 207 Cb -0.05 -0.68 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 1r3i s LYS 207 CO -0.00 0.07 0.17 -1.12 -0.76 0.00 0.00 175.35 173.71 1r3i s SER 208 N 0.22 1.04 -0.19 2.83 0.01 -1.26 -0.63 113.70 115.71 1r3i s SER 208 Ca -0.03 -1.54 -0.28 0.00 1.31 0.00 0.00 55.95 55.42 1r3i s SER 208 Cb -0.07 0.41 0.09 0.00 0.21 0.00 0.00 66.02 66.66 1r3i s SER 208 CO -0.00 -0.90 0.83 0.72 0.41 0.00 0.00 173.24 174.29 1r3i s PHE 209 N -3.78 -0.61 -0.18 2.43 -0.12 -0.66 -4.99 117.98 110.08 1r3i s PHE 209 Ca 0.38 1.31 -0.07 0.00 -0.05 0.00 0.00 56.93 58.50 1r3i s PHE 209 Cb 0.05 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1r3i s PHE 209 CO 0.18 -0.40 0.05 -0.80 -0.05 0.00 0.00 175.22 174.19 1r3i s ASN 210 N -0.35 5.52 0.59 1.98 -0.87 -1.26 -1.72 114.94 118.83 1r3i s ASN 210 Ca -0.03 0.06 0.29 0.00 -1.57 0.00 0.00 52.86 51.60 1r3i s ASN 210 Cb -0.03 -1.94 1.58 0.00 -0.02 0.00 0.00 41.25 40.84 1r3i s ASN 210 CO 0.02 0.18 2.01 -0.09 -2.57 0.00 0.00 177.10 176.65 1r3i h ARG 211 N 6.67 0.00 -0.01 -0.60 2.43 -1.52 -3.49 114.38 117.86 1r3i h ARG 211 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1r3i h ARG 211 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1r3i h ARG 211 CO 0.69 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.24