#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nby s ILE 2 N 0.00 3.22 -0.17 0.53 1.01 -1.26 -5.00 121.20 119.52 1nby s ILE 2 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 60.65 61.50 1nby s ILE 2 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1nby s ILE 2 CO 0.00 0.10 0.05 -0.69 0.00 0.00 0.00 174.94 174.40 1nby s VAL 3 N 0.73 4.72 -0.19 2.92 1.01 -1.26 -4.77 120.40 123.56 1nby s VAL 3 Ca 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 1nby s VAL 3 Cb -0.37 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1nby s VAL 3 CO 0.33 0.48 -0.05 -0.76 0.00 0.00 0.00 175.10 175.11 1nby s LEU 4 N 0.25 3.00 -0.21 3.92 1.43 -1.26 -1.54 118.68 124.27 1nby s LEU 4 Ca 0.03 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1nby s LEU 4 Cb -0.12 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1nby s LEU 4 CO 0.01 0.05 -0.04 -0.89 0.23 0.00 0.00 176.35 175.71 1nby s THR 5 N 1.06 3.48 -0.00 5.49 2.01 0.59 -3.85 115.64 124.41 1nby s THR 5 Ca 0.01 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 1nby s THR 5 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1nby s THR 5 CO 0.00 0.43 0.07 -1.10 -0.69 0.00 0.00 174.62 173.33 1nby s GLN 6 N 1.28 3.02 -0.04 4.92 -0.21 -1.26 -0.71 119.66 126.65 1nby s GLN 6 Ca 0.03 -0.50 -0.09 0.00 0.02 0.00 0.00 55.36 54.82 1nby s GLN 6 Cb -0.14 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.05 1nby s GLN 6 CO -0.01 0.64 0.22 0.45 -2.12 0.00 0.00 175.29 174.47 1nby s SER 7 N -1.70 -0.14 0.73 5.90 0.15 -0.81 -4.43 113.70 113.40 1nby s SER 7 Ca 0.22 0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.94 1nby s SER 7 Cb -0.12 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1nby s SER 7 CO 0.13 -0.26 1.09 -2.84 1.20 0.00 0.00 173.24 172.57 1nby s PRO 8 N -0.69 2.38 0.35 5.44 0.02 -1.26 -1.74 135.00 139.50 1nby s PRO 8 Ca -0.08 0.12 0.04 0.00 0.02 0.00 0.00 61.00 61.10 1nby s PRO 8 Cb -0.04 -2.05 0.64 0.00 0.02 0.00 0.00 34.50 33.06 1nby s PRO 8 CO 0.02 -1.26 1.93 0.00 -0.33 0.00 0.00 177.00 177.36 1nby h ALA 9 N -0.75 1.46 -2.66 -1.55 0.00 -1.84 -3.42 119.26 110.51 1nby h ALA 9 Ca -0.45 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1nby h ALA 9 Cb 1.30 -0.18 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 1nby h ALA 9 CO 0.64 0.41 -0.45 0.99 0.00 0.00 0.00 179.25 180.84 1nby s THR 10 N -5.26 0.09 -0.15 0.00 2.01 -1.26 -0.72 115.64 110.35 1nby s THR 10 Ca -0.08 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1nby s THR 10 Cb 0.16 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 72.09 1nby s THR 10 CO 0.76 -0.43 0.37 -1.48 -0.69 0.00 0.00 174.62 173.15 1nby s LEU 11 N -1.67 0.08 -0.23 4.42 -0.00 -0.15 -4.90 118.68 116.23 1nby s LEU 11 Ca -0.11 0.79 -0.07 0.00 -0.00 0.00 0.00 54.13 54.75 1nby s LEU 11 Cb -0.05 1.19 -0.03 0.00 -0.00 0.00 0.00 46.19 47.30 1nby s LEU 11 CO -0.00 -0.18 0.05 -0.44 -0.00 0.00 0.00 176.35 175.78 1nby s SER 12 N 1.28 5.12 0.23 1.48 0.01 -1.26 -1.14 113.70 119.43 1nby s SER 12 Ca -0.09 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1nby s SER 12 Cb -0.08 -1.90 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 1nby s SER 12 CO -0.11 0.02 0.09 0.68 0.41 0.00 0.00 173.24 174.33 1nby s VAL 13 N 1.29 0.43 -0.13 3.43 -7.23 -0.40 -4.67 120.40 113.13 1nby s VAL 13 Ca 0.05 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1nby s VAL 13 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1nby s VAL 13 CO 0.03 -0.08 0.13 -0.89 -0.31 0.00 0.00 175.10 173.97 1nby s THR 14 N -3.85 5.40 0.20 5.32 2.01 -1.26 -1.38 115.64 122.08 1nby s THR 14 Ca 0.36 0.17 -0.33 0.00 0.31 0.00 0.00 61.69 62.20 1nby s THR 14 Cb 0.07 -3.37 -0.14 0.00 0.01 0.00 0.00 72.50 69.07 1nby s THR 14 CO 0.11 0.59 1.40 -2.65 -0.69 0.00 0.00 174.62 173.38 1nby n PRO 15 N 2.28 1.84 0.00 4.92 -0.02 -1.26 -0.63 135.00 142.13 1nby n PRO 15 Ca -0.19 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1nby n PRO 15 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1nby n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nby n GLY 16 N 2.47 2.25 3.79 -1.23 0.00 0.48 -4.93 105.19 108.02 1nby n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1nby n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nby s ASP 17 N -0.55 5.52 0.05 1.61 1.01 0.20 -4.29 116.67 120.22 1nby s ASP 17 Ca 0.00 1.87 0.04 0.00 0.71 0.00 0.00 52.55 55.16 1nby s ASP 17 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1nby s ASP 17 CO 0.00 -1.35 -0.01 -0.55 0.21 0.00 0.00 175.17 173.47 1nby s SER 18 N -2.78 5.00 0.13 0.27 0.15 -1.26 0.91 113.70 116.13 1nby s SER 18 Ca 0.64 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 57.17 1nby s SER 18 Cb -0.17 -1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 1nby s SER 18 CO 0.40 0.22 0.04 0.68 1.20 0.00 0.00 173.24 175.77 1nby s VAL 19 N -1.20 0.24 -0.06 4.45 -7.23 -0.83 -4.92 120.40 110.84 1nby s VAL 19 Ca 0.23 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1nby s VAL 19 Cb -0.12 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1nby s VAL 19 CO 0.14 -0.51 0.00 -0.44 -0.31 0.00 0.00 175.10 173.99 1nby s SER 20 N -3.06 1.39 -0.14 4.85 0.01 -1.26 -1.55 113.70 113.94 1nby s SER 20 Ca 0.23 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 1nby s SER 20 Cb 0.07 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1nby s SER 20 CO 0.01 -0.18 0.00 -0.76 0.41 0.00 0.00 173.24 172.72 1nby s LEU 21 N 1.83 3.53 -0.04 2.44 1.43 0.44 -4.88 118.68 123.43 1nby s LEU 21 Ca 0.03 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1nby s LEU 21 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1nby s LEU 21 CO -0.04 0.25 0.19 -0.55 0.23 0.00 0.00 176.35 176.43 1nby s SER 22 N -0.10 6.41 -0.05 2.29 0.15 -0.71 -0.55 113.70 121.14 1nby s SER 22 Ca 0.04 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 1nby s SER 22 Cb -0.13 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1nby s SER 22 CO 0.02 0.31 0.09 0.00 1.20 0.00 0.00 173.24 174.85 1nby s ARG 24 N 2.12 2.31 -0.02 0.00 0.52 0.11 -0.97 118.95 123.01 1nby s ARG 24 Ca 0.03 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1nby s ARG 24 Cb -0.12 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1nby s ARG 24 CO -0.04 0.41 0.22 0.00 0.02 0.00 0.00 175.30 175.91 1nby s ALA 25 N -0.25 3.88 -0.38 2.13 0.00 -0.17 -0.30 121.76 126.67 1nby s ALA 25 Ca -0.00 -0.63 0.27 0.00 0.00 0.00 0.00 51.96 51.59 1nby s ALA 25 Cb -0.12 -2.00 0.86 0.00 0.00 0.00 0.00 23.12 21.85 1nby s ALA 25 CO 0.02 0.67 1.77 0.66 0.00 0.00 0.00 175.76 178.88 1nby h SER 26 N 4.15 0.00 -4.96 0.00 4.64 -1.62 -3.44 113.55 112.32 1nby h SER 26 Ca -0.51 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.63 1nby h SER 26 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.10 1nby h SER 26 CO 0.65 0.00 -0.70 -1.10 -0.87 0.00 0.00 176.83 174.81 1nby s GLN 27 N -3.32 0.45 0.29 4.77 -0.21 -1.26 -4.99 119.66 115.39 1nby s GLN 27 Ca 0.06 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 1nby s GLN 27 Cb 0.09 0.03 -0.11 0.00 1.00 0.00 0.00 33.01 34.01 1nby s GLN 27 CO 0.56 -0.04 1.55 0.45 -2.12 0.00 0.00 175.29 175.69 1nby s SER 28 N -1.87 6.44 -0.09 5.90 0.15 -1.26 -4.72 113.70 118.25 1nby s SER 28 Ca -0.09 2.89 0.13 0.00 0.70 0.00 0.00 55.95 59.59 1nby s SER 28 Cb -0.06 -2.64 0.20 0.00 -1.71 0.00 0.00 66.02 61.82 1nby s SER 28 CO -0.03 -0.86 1.10 2.30 1.20 0.00 0.00 173.24 176.95 1nby n ILE 29 N 2.04 1.32 0.00 6.45 -5.35 0.57 -4.99 119.36 119.41 1nby n ILE 29 Ca 0.07 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.97 1nby n ILE 29 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 1nby n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1nby n SER 30 N -1.00 0.00 -0.37 7.28 2.88 -1.24 -1.25 113.62 119.93 1nby n SER 30 Ca 0.11 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1nby n SER 30 Cb 0.64 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.18 1nby n SER 30 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nby n ASN 31 N 7.78 2.38 -3.37 -3.46 2.04 -1.26 -0.91 115.26 118.46 1nby n ASN 31 Ca 0.00 -1.87 -0.39 0.00 -0.44 0.00 0.00 54.58 51.87 1nby n ASN 31 Cb 0.00 -0.12 -0.02 0.00 -2.53 0.00 0.00 39.78 37.11 1nby n ASN 31 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1nby n ASN 32 N 0.16 8.47 -3.95 0.53 4.13 -0.38 -2.20 115.26 122.01 1nby n ASN 32 Ca 0.06 -2.76 -0.21 0.00 1.68 0.00 0.00 54.58 53.35 1nby n ASN 32 Cb 0.32 -1.50 -0.16 0.00 -1.54 0.00 0.00 39.78 36.90 1nby n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1nby s LEU 33 N -0.55 1.52 0.12 3.41 1.98 -1.26 -1.62 118.68 122.28 1nby s LEU 33 Ca 0.64 -0.18 0.09 0.00 -2.89 0.00 0.00 54.13 51.79 1nby s LEU 33 Cb 0.18 -0.56 -0.04 0.00 0.66 0.00 0.00 46.19 46.43 1nby s LEU 33 CO -0.07 -0.01 -0.22 -1.00 -1.89 0.00 0.00 176.35 173.16 1nby s HIS 34 N 0.69 1.96 -0.11 5.38 3.76 0.51 0.82 115.29 128.31 1nby s HIS 34 Ca -0.11 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1nby s HIS 34 Cb -0.14 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 1nby s HIS 34 CO 0.01 0.27 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.44 1nby s TRP 35 N -1.27 2.72 0.15 1.40 0.52 -0.36 -0.65 118.94 121.44 1nby s TRP 35 Ca 0.10 -0.63 0.11 0.00 0.02 0.00 0.00 56.10 55.70 1nby s TRP 35 Cb -0.09 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1nby s TRP 35 CO 0.05 -0.18 -0.26 0.71 0.02 0.00 0.00 176.95 177.30 1nby s TYR 36 N 0.12 2.27 0.02 -1.98 2.02 0.63 -0.19 117.35 120.24 1nby s TYR 36 Ca -0.08 -0.38 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 1nby s TYR 36 Cb -0.15 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1nby s TYR 36 CO 0.05 0.37 -0.23 -1.14 -1.57 0.00 0.00 175.55 173.03 1nby s GLN 37 N -2.22 1.99 -0.20 -0.62 0.74 -0.06 -1.03 119.66 118.25 1nby s GLN 37 Ca 0.15 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.51 1nby s GLN 37 Cb -0.09 -2.08 0.08 0.00 1.10 0.00 0.00 33.01 32.02 1nby s GLN 37 CO 0.07 0.54 0.15 -1.14 -0.55 0.00 0.00 175.29 174.35 1nby s GLN 38 N -1.12 0.13 0.67 1.67 0.74 0.77 0.46 119.66 122.98 1nby s GLN 38 Ca 0.12 -0.05 -0.07 0.00 0.05 0.00 0.00 55.36 55.41 1nby s GLN 38 Cb -0.10 -1.49 0.04 0.00 1.10 0.00 0.00 33.01 32.56 1nby s GLN 38 CO 0.02 -0.73 0.98 0.15 -0.55 0.00 0.00 175.29 175.17 1nby s LYS 39 N 2.20 2.46 0.18 1.67 1.02 -1.26 -1.22 119.74 124.79 1nby s LYS 39 Ca 0.05 -0.13 -0.33 0.00 0.02 0.00 0.00 55.97 55.58 1nby s LYS 39 Cb -0.16 -2.19 -0.14 0.00 -0.52 0.00 0.00 37.83 34.82 1nby s LYS 39 CO -0.15 -1.06 1.52 0.43 -0.92 0.00 0.00 175.35 175.18 1nby n SER 40 N -2.82 2.94 -2.75 2.83 7.64 -1.26 -2.17 113.62 118.04 1nby n SER 40 Ca 0.07 1.10 -0.19 0.00 1.01 0.00 0.00 58.87 60.86 1nby n SER 40 Cb 0.59 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1nby n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nby n HIS 41 N 2.97 -1.53 -4.32 1.43 8.25 -1.26 -4.97 115.22 115.80 1nby n HIS 41 Ca 0.16 0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.67 1nby n HIS 41 Cb 0.29 -3.55 -0.10 0.00 1.12 0.00 0.00 29.99 27.74 1nby n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1nby s GLU 42 N -5.39 1.34 0.46 -0.41 2.02 -0.92 -5.16 118.70 110.64 1nby s GLU 42 Ca 0.15 -1.70 -0.04 0.00 0.02 0.00 0.00 54.97 53.41 1nby s GLU 42 Cb -0.07 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 1nby s GLU 42 CO 0.19 -0.18 0.74 -1.12 0.02 0.00 0.00 175.26 174.90 1nby s SER 43 N -3.29 6.19 0.62 -0.19 0.01 -1.26 -4.62 113.70 111.16 1nby s SER 43 Ca 0.31 0.77 -0.19 0.00 1.31 0.00 0.00 55.95 58.16 1nby s SER 43 Cb 0.07 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1nby s SER 43 CO 0.10 -0.56 1.31 -2.65 0.41 0.00 0.00 173.24 171.85 1nby n PRO 44 N -2.18 1.30 -4.34 12.44 -0.02 -1.26 -4.62 135.00 136.32 1nby n PRO 44 Ca -0.00 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 1nby n PRO 44 Cb 0.56 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 1nby n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1nby s ARG 45 N -3.21 1.96 -0.01 -0.52 3.52 0.17 -4.94 118.95 115.94 1nby s ARG 45 Ca 0.79 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 1nby s ARG 45 Cb -0.39 -1.73 -0.06 0.00 -1.56 0.00 0.00 34.95 31.21 1nby s ARG 45 CO 0.43 -0.10 1.47 -1.17 -0.81 0.00 0.00 175.30 175.12 1nby s LEU 46 N 1.09 4.32 -0.19 -0.88 0.20 -1.26 -0.88 118.68 121.07 1nby s LEU 46 Ca -0.05 2.17 -0.02 0.00 0.69 0.00 0.00 54.13 56.92 1nby s LEU 46 Cb -0.14 -3.56 -0.11 0.00 -0.43 0.00 0.00 46.19 41.95 1nby s LEU 46 CO -0.02 -0.78 -0.20 0.18 -0.29 0.00 0.00 176.35 175.24 1nby n LEU 47 N 5.72 2.54 -3.90 -0.68 4.77 0.73 -4.95 117.00 121.24 1nby n LEU 47 Ca 0.14 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1nby n LEU 47 Cb 0.43 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 1nby n LEU 47 CO 0.60 0.71 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.35 1nby s ILE 48 N -2.38 0.26 0.18 -0.08 -1.09 -1.16 -4.35 121.20 112.58 1nby s ILE 48 Ca -0.26 -0.08 0.10 0.00 -2.23 0.00 0.00 60.65 58.18 1nby s ILE 48 Cb 0.08 -0.27 -0.04 0.00 -1.58 0.00 0.00 42.46 40.65 1nby s ILE 48 CO 0.42 0.11 -0.19 -1.59 -1.23 0.00 0.00 174.94 172.45 1nby s LYS 49 N 0.29 1.72 -1.28 2.79 -2.85 -0.87 -1.23 119.74 118.31 1nby s LYS 49 Ca -0.03 -1.41 -0.12 0.00 -1.00 0.00 0.00 55.97 53.41 1nby s LYS 49 Cb -0.06 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1nby s LYS 49 CO -0.01 0.42 0.58 0.66 0.10 0.00 0.00 175.35 177.11 1nby n TYR 50 N 0.25 -1.71 0.00 1.78 4.01 -1.12 -0.91 117.16 119.46 1nby n TYR 50 Ca -0.12 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1nby n TYR 50 Cb 0.55 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.09 1nby n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nby n ALA 51 N -4.39 0.00 -1.14 -0.72 0.00 0.24 -3.71 120.51 110.79 1nby n ALA 51 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1nby n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1nby n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nby n SER 52 N 0.52 0.00 -4.72 0.00 3.41 -1.19 -2.88 113.62 108.77 1nby n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1nby n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1nby n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nby s GLN 53 N 0.00 4.54 0.51 4.33 -0.21 -0.08 -4.60 119.66 124.15 1nby s GLN 53 Ca 0.00 1.54 -0.19 0.00 0.02 0.00 0.00 55.36 56.74 1nby s GLN 53 Cb 0.00 -3.40 -0.07 0.00 1.00 0.00 0.00 33.01 30.53 1nby s GLN 53 CO 0.00 -0.07 1.03 -1.12 -2.12 0.00 0.00 175.29 173.01 1nby s SER 54 N 0.81 6.27 -0.13 5.90 0.01 -1.26 -2.06 113.70 123.24 1nby s SER 54 Ca 0.53 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.66 1nby s SER 54 Cb -0.24 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.45 1nby s SER 54 CO 0.29 -0.83 -0.22 -0.63 0.41 0.00 0.00 173.24 172.26 1nby s ILE 55 N -2.20 2.00 0.15 1.44 1.01 -1.26 -4.88 121.20 117.47 1nby s ILE 55 Ca 0.65 -0.95 -0.33 0.00 0.00 0.00 0.00 60.65 60.02 1nby s ILE 55 Cb -0.15 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.43 1nby s ILE 55 CO 0.25 0.54 1.70 -0.24 0.00 0.00 0.00 174.94 177.19 1nby n SER 56 N 3.99 3.60 0.00 3.58 2.88 -1.26 -1.96 113.62 124.45 1nby n SER 56 Ca -0.20 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1nby n SER 56 Cb 0.52 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1nby n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nby n GLY 57 N 3.82 0.38 3.78 0.46 0.00 -1.26 -5.07 105.19 107.29 1nby n GLY 57 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1nby n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nby s ILE 58 N -2.02 5.24 0.37 -0.61 -1.09 -0.83 -5.04 121.20 117.22 1nby s ILE 58 Ca 0.00 0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 1nby s ILE 58 Cb 0.00 -3.65 -0.13 0.00 -1.58 0.00 0.00 42.46 37.11 1nby s ILE 58 CO 0.00 0.47 0.81 -2.65 -1.23 0.00 0.00 174.94 172.34 1nby n PRO 59 N 2.87 0.98 0.26 2.79 -0.02 -1.26 -4.85 135.00 135.77 1nby n PRO 59 Ca -0.13 0.35 0.17 0.00 -2.02 0.00 0.00 63.50 61.87 1nby n PRO 59 Cb 0.52 -1.73 0.82 0.00 -0.02 0.00 0.00 33.50 33.10 1nby n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nby h SER 60 N 1.36 0.00 0.51 2.55 4.64 -1.98 -2.73 113.55 117.90 1nby h SER 60 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1nby h SER 60 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1nby h SER 60 CO 0.56 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.41 1nby n ARG 61 N -2.81 0.12 -3.47 4.77 1.85 -1.26 -4.60 116.66 111.26 1nby n ARG 61 Ca -0.01 0.41 -0.37 0.00 -1.00 0.00 0.00 57.85 56.88 1nby n ARG 61 Cb 0.17 -1.75 -0.07 0.00 -1.05 0.00 0.00 32.46 29.76 1nby n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1nby s PHE 62 N -3.23 3.43 0.04 2.89 0.08 -1.03 -0.38 117.98 119.77 1nby s PHE 62 Ca 0.04 0.61 -0.08 0.00 0.12 0.00 0.00 56.93 57.62 1nby s PHE 62 Cb 0.08 -2.42 -0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1nby s PHE 62 CO 0.30 0.13 0.15 -1.54 -0.10 0.00 0.00 175.22 174.17 1nby s SER 63 N 0.72 0.09 0.09 1.36 1.04 -0.48 -5.00 113.70 111.53 1nby s SER 63 Ca 0.18 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1nby s SER 63 Cb -0.14 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1nby s SER 63 CO 0.06 -0.53 -0.18 -0.83 0.98 0.00 0.00 173.24 172.74 1nby s GLY 64 N -2.08 1.09 0.20 7.32 0.00 -1.26 -0.31 107.32 112.28 1nby s GLY 64 Ca -0.05 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 1nby s GLY 64 CO -0.04 -1.18 0.29 -1.35 0.00 0.00 0.00 173.10 170.82 1nby s SER 65 N -1.90 0.05 0.00 1.64 1.04 -0.57 -4.24 113.70 109.72 1nby s SER 65 Ca 0.04 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1nby s SER 65 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1nby s SER 65 CO 0.03 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1nby n GLY 66 N -0.27 2.24 3.52 7.32 0.00 -1.26 -1.46 105.19 115.28 1nby n GLY 66 Ca -0.03 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1nby n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nby s SER 67 N 0.00 -0.36 0.08 1.61 1.04 -1.05 -4.86 113.70 110.16 1nby s SER 67 Ca 0.00 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1nby s SER 67 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1nby s SER 67 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1nby n GLY 68 N -0.11 1.97 0.00 7.32 0.00 -0.09 -3.16 105.19 111.12 1nby n GLY 68 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nby n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nby n THR 69 N 0.00 0.00 -4.07 2.61 -2.24 -1.26 -0.31 114.28 109.01 1nby n THR 69 Ca 0.00 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 1nby n THR 69 Cb 0.00 1.23 -0.15 0.00 -2.10 0.00 0.00 70.33 69.31 1nby n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nby s ASP 70 N -0.14 3.82 0.11 3.42 2.15 -1.19 -1.00 116.67 123.84 1nby s ASP 70 Ca 0.00 -1.06 0.07 0.00 0.43 0.00 0.00 52.55 51.98 1nby s ASP 70 Cb 0.00 -1.45 -0.04 0.00 -0.30 0.00 0.00 42.92 41.13 1nby s ASP 70 CO 0.00 -0.13 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.35 1nby s PHE 71 N 1.23 1.56 -0.03 -5.34 0.40 -0.15 -2.54 117.98 113.10 1nby s PHE 71 Ca -0.03 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1nby s PHE 71 Cb -0.17 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1nby s PHE 71 CO -0.08 0.18 -0.03 0.99 0.70 0.00 0.00 175.22 176.98 1nby s THR 72 N -1.67 0.37 -0.20 0.64 2.01 -0.53 -1.34 115.64 114.92 1nby s THR 72 Ca 0.07 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1nby s THR 72 Cb -0.08 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1nby s THR 72 CO 0.04 0.17 0.04 -0.22 -0.69 0.00 0.00 174.62 173.96 1nby s LEU 73 N 0.72 3.52 -0.01 4.42 2.96 0.29 -1.51 118.68 129.06 1nby s LEU 73 Ca -0.08 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1nby s LEU 73 Cb -0.12 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1nby s LEU 73 CO -0.01 0.09 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.56 1nby s SER 74 N 0.85 4.25 -0.18 3.68 0.01 0.58 -0.42 113.70 122.46 1nby s SER 74 Ca 0.02 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1nby s SER 74 Cb -0.14 -0.91 0.04 0.00 0.21 0.00 0.00 66.02 65.22 1nby s SER 74 CO 0.02 0.31 -0.09 -0.63 0.41 0.00 0.00 173.24 173.26 1nby s ILE 75 N -0.87 1.45 -0.44 1.44 1.01 -0.60 -1.38 121.20 121.81 1nby s ILE 75 Ca 0.14 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 1nby s ILE 75 Cb -0.11 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1nby s ILE 75 CO 0.04 0.21 1.34 0.20 0.00 0.00 0.00 174.94 176.73 1nby s ASN 76 N 1.49 6.40 -0.11 3.58 0.01 0.49 -1.97 114.94 124.84 1nby s ASN 76 Ca 0.01 0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 52.84 1nby s ASN 76 Cb -0.15 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 38.97 1nby s ASN 76 CO -0.08 -1.40 0.03 -1.54 -1.51 0.00 0.00 177.10 172.59 1nby n SER 77 N 8.60 -6.44 -4.71 -1.22 3.41 -1.20 -4.81 113.62 107.25 1nby n SER 77 Ca 0.15 0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 59.24 1nby n SER 77 Cb 0.48 -3.04 -0.01 0.00 -0.26 0.00 0.00 64.21 61.38 1nby n SER 77 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1nby n VAL 78 N 1.41 1.98 -4.09 -3.33 0.31 0.26 -4.59 118.33 110.29 1nby n VAL 78 Ca -0.05 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.56 1nby n VAL 78 Cb 0.29 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.55 1nby n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nby s GLU 79 N -1.89 2.77 0.55 5.55 0.41 -1.26 -0.39 118.70 124.45 1nby s GLU 79 Ca 0.55 -1.17 0.30 0.00 -0.41 0.00 0.00 54.97 54.24 1nby s GLU 79 Cb -0.56 -2.47 1.46 0.00 -1.78 0.00 0.00 34.13 30.79 1nby s GLU 79 CO 0.62 0.33 1.91 0.00 -0.49 0.00 0.00 175.26 177.63 1nby h THR 80 N 1.51 0.54 -0.32 3.63 1.03 -1.96 0.11 112.91 117.45 1nby h THR 80 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1nby h THR 80 Cb 1.24 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1nby h THR 80 CO 0.60 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 174.27 1nby n GLU 81 N -4.15 1.98 0.00 0.00 0.00 -1.26 -4.15 120.64 113.06 1nby n GLU 81 Ca 0.15 -1.50 0.13 0.00 0.00 0.00 0.00 57.16 55.94 1nby n GLU 81 Cb 0.83 -1.39 0.34 0.00 0.00 0.00 0.00 31.44 31.22 1nby n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nby n ASP 82 N 0.71 1.68 -4.75 -1.84 8.00 0.40 -4.94 116.55 115.81 1nby n ASP 82 Ca 0.16 -1.40 -0.41 0.00 0.71 0.00 0.00 54.79 53.85 1nby n ASP 82 Cb 0.39 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 1nby n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nby s PHE 83 N -2.21 3.57 -5.00 1.24 0.40 -1.26 -4.88 117.98 109.85 1nby s PHE 83 Ca 0.30 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 58.26 1nby s PHE 83 Cb 0.20 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1nby s PHE 83 CO 0.41 -0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.12 1nby n GLY 84 N 1.61 -0.17 3.90 4.36 0.00 -0.88 -4.74 105.19 109.28 1nby n GLY 84 Ca 0.01 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1nby n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nby s MET 85 N -2.00 3.47 -0.07 1.61 -1.94 -0.36 -0.47 119.30 119.55 1nby s MET 85 Ca 0.00 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 1nby s MET 85 Cb 0.00 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.77 1nby s MET 85 CO 0.00 0.66 -0.13 0.71 -0.01 0.00 0.00 175.02 176.25 1nby s TYR 86 N -1.35 1.52 0.09 -0.03 1.51 -0.50 -0.16 117.35 118.44 1nby s TYR 86 Ca 0.28 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1nby s TYR 86 Cb -0.13 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1nby s TYR 86 CO 0.19 -0.28 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.13 1nby s PHE 87 N 0.60 1.47 0.15 2.71 0.40 -0.20 -1.10 117.98 122.01 1nby s PHE 87 Ca -0.14 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 55.81 1nby s PHE 87 Cb -0.16 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 1nby s PHE 87 CO 0.04 0.13 -0.05 0.00 0.70 0.00 0.00 175.22 176.04 1nby s GLN 89 N -2.67 0.05 0.03 0.00 0.74 0.17 -0.87 119.66 117.12 1nby s GLN 89 Ca 0.25 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.84 1nby s GLN 89 Cb -0.10 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 1nby s GLN 89 CO 0.17 -0.08 0.11 1.14 -0.55 0.00 0.00 175.29 176.08 1nby s GLN 90 N 0.54 3.10 -0.05 1.67 1.03 -0.42 -0.36 119.66 125.18 1nby s GLN 90 Ca -0.04 -0.53 0.07 0.00 0.04 0.00 0.00 55.36 54.90 1nby s GLN 90 Cb -0.06 -2.87 0.10 0.00 0.03 0.00 0.00 33.01 30.21 1nby s GLN 90 CO -0.02 0.62 0.97 -1.13 -2.54 0.00 0.00 175.29 173.19 1nby n SER 91 N 0.77 1.19 -0.13 12.60 3.41 -0.64 -3.40 113.62 127.43 1nby n SER 91 Ca -0.10 -2.22 -0.13 0.00 -0.26 0.00 0.00 58.87 56.16 1nby n SER 91 Cb 0.52 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1nby n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1nby h ASN 92 N 0.00 1.00 -4.58 4.04 -1.24 -1.87 -3.45 115.58 109.47 1nby h ASN 92 Ca 0.00 -0.45 -0.24 0.00 0.71 0.00 0.00 56.30 56.31 1nby h ASN 92 Cb 1.03 -0.28 -0.23 0.00 0.73 0.00 0.00 38.32 39.57 1nby h ASN 92 CO 0.00 1.24 -0.72 -0.55 -1.29 0.00 0.00 177.43 176.11 1nby s SER 93 N -6.80 0.53 -0.02 1.15 0.15 -1.26 -5.14 113.70 102.31 1nby s SER 93 Ca -0.11 -0.40 -0.18 0.00 0.70 0.00 0.00 55.95 55.95 1nby s SER 93 Cb 0.11 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1nby s SER 93 CO 0.88 -0.17 0.52 0.86 1.20 0.00 0.00 173.24 176.53 1nby s TRP 94 N -1.05 3.68 0.35 3.44 -0.11 -1.26 -3.35 118.94 120.63 1nby s TRP 94 Ca -0.09 1.09 -0.26 0.00 1.22 0.00 0.00 56.10 58.06 1nby s TRP 94 Cb -0.08 -2.50 -0.09 0.00 -1.50 0.00 0.00 33.47 29.30 1nby s TRP 94 CO -0.00 0.42 1.10 -1.25 -4.62 0.00 0.00 176.95 172.59 1nby s PRO 95 N -0.37 4.31 0.43 5.86 0.04 -1.26 -5.02 135.00 139.00 1nby s PRO 95 Ca 0.28 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1nby s PRO 95 Cb -0.17 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.47 1nby s PRO 95 CO 0.15 -0.05 1.33 0.71 0.04 0.00 0.00 177.00 179.17 1nby s TYR 96 N -1.41 2.70 0.06 0.56 4.12 -1.21 -4.72 117.35 117.44 1nby s TYR 96 Ca 0.53 1.38 0.02 0.00 0.02 0.00 0.00 57.07 59.02 1nby s TYR 96 Cb -0.28 -3.72 -0.03 0.00 -1.52 0.00 0.00 41.96 36.41 1nby s TYR 96 CO 0.35 -2.31 -0.08 0.95 0.02 0.00 0.00 175.55 174.48 1nby s THR 97 N -1.27 0.63 0.11 -0.71 -4.23 -1.22 -4.99 115.64 103.96 1nby s THR 97 Ca 0.59 -1.32 0.06 0.00 -1.18 0.00 0.00 61.69 59.84 1nby s THR 97 Cb -0.39 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1nby s THR 97 CO 0.50 -0.49 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 1nby s PHE 98 N -1.94 2.92 0.87 3.99 0.40 -1.26 -1.31 117.98 121.65 1nby s PHE 98 Ca -0.04 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1nby s PHE 98 Cb -0.06 -1.49 0.11 0.00 0.51 0.00 0.00 43.02 42.09 1nby s PHE 98 CO -0.01 0.47 1.16 0.20 0.70 0.00 0.00 175.22 177.75 1nby s GLY 99 N -2.39 1.58 0.01 4.36 0.00 -0.05 -4.53 107.32 106.30 1nby s GLY 99 Ca 0.25 -0.59 0.21 0.00 0.00 0.00 0.00 44.72 44.59 1nby s GLY 99 CO 0.17 -0.06 1.68 0.61 0.00 0.00 0.00 173.10 175.51 1nby n GLY 100 N -2.72 -1.24 0.00 0.20 0.00 -1.25 -4.71 105.19 95.46 1nby n GLY 100 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nby n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nby n GLY 101 N 0.68 -0.49 3.09 -0.02 0.00 -1.26 -5.02 105.19 102.17 1nby n GLY 101 Ca 0.05 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1nby n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nby s THR 102 N -3.05 1.42 -0.23 2.61 2.01 -0.26 -4.70 115.64 113.44 1nby s THR 102 Ca 0.00 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1nby s THR 102 Cb 0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1nby s THR 102 CO 0.00 0.42 0.35 -0.75 -0.69 0.00 0.00 174.62 173.95 1nby s LYS 103 N 0.53 4.11 -0.35 4.92 2.20 0.10 -1.41 119.74 129.85 1nby s LYS 103 Ca -0.15 0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.38 1nby s LYS 103 Cb -0.16 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1nby s LYS 103 CO 0.05 -0.09 0.36 -1.17 -0.36 0.00 0.00 175.35 174.14 1nby s LEU 104 N 1.50 4.46 0.30 5.43 2.96 0.38 -0.98 118.68 132.74 1nby s LEU 104 Ca 0.16 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 1nby s LEU 104 Cb -0.15 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 1nby s LEU 104 CO 0.08 -0.35 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.04 1nby s GLU 105 N 2.01 1.67 -0.01 1.98 2.02 -0.29 -2.07 118.70 124.01 1nby s GLU 105 Ca 0.11 -1.83 -0.26 0.00 0.02 0.00 0.00 54.97 53.01 1nby s GLU 105 Cb -0.17 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 1nby s GLU 105 CO 0.12 0.15 0.81 0.42 0.02 0.00 0.00 175.26 176.78 1nby s ILE 106 N -2.73 4.90 0.11 -1.63 1.09 -1.26 -1.27 121.20 120.41 1nby s ILE 106 Ca 0.30 1.70 -0.23 0.00 -1.10 0.00 0.00 60.65 61.33 1nby s ILE 106 Cb 0.01 -4.15 -0.07 0.00 -1.06 0.00 0.00 42.46 37.19 1nby s ILE 106 CO 0.14 0.25 0.69 -0.75 -0.10 0.00 0.00 174.94 175.17 1nby s LYS 107 N 0.65 4.41 0.34 2.79 2.47 -0.48 -4.76 119.74 125.16 1nby s LYS 107 Ca 0.43 0.96 -0.06 0.00 -1.56 0.00 0.00 55.97 55.74 1nby s LYS 107 Cb -0.20 -3.27 0.01 0.00 -1.46 0.00 0.00 37.83 32.92 1nby s LYS 107 CO 0.23 0.56 0.55 -0.98 0.16 0.00 0.00 175.35 175.86 1nby s ARG 108 N -0.96 1.95 0.53 4.03 1.70 -1.26 -4.79 118.95 120.15 1nby s ARG 108 Ca 0.33 -1.64 -0.20 0.00 -0.47 0.00 0.00 55.73 53.75 1nby s ARG 108 Cb -0.21 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 1nby s ARG 108 CO 0.23 -0.84 1.16 0.00 -1.08 0.00 0.00 175.30 174.77 1nby s ALA 109 N -2.98 2.74 0.53 7.88 0.00 -1.26 -4.96 121.76 123.72 1nby s ALA 109 Ca 0.26 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 1nby s ALA 109 Cb -0.02 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1nby s ALA 109 CO 0.17 -0.83 1.24 -0.51 0.00 0.00 0.00 175.76 175.83 1nby s ASP 110 N -1.61 5.56 -0.13 0.00 1.01 -1.26 -4.77 116.67 115.46 1nby s ASP 110 Ca 0.71 2.47 -0.07 0.00 0.71 0.00 0.00 52.55 56.37 1nby s ASP 110 Cb -0.27 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.11 1nby s ASP 110 CO 0.30 -1.35 0.32 0.00 0.21 0.00 0.00 175.17 174.65 1nby s ALA 111 N -1.49 -0.77 0.56 5.23 0.00 0.05 -4.91 121.76 120.43 1nby s ALA 111 Ca 0.71 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.71 1nby s ALA 111 Cb -0.33 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1nby s ALA 111 CO 0.38 -0.28 1.06 0.00 0.00 0.00 0.00 175.76 176.93 1nby s ALA 112 N 1.45 2.75 0.52 0.00 0.00 -1.26 -1.06 121.76 124.15 1nby s ALA 112 Ca -0.08 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1nby s ALA 112 Cb -0.10 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1nby s ALA 112 CO -0.10 -0.68 1.00 -1.25 0.00 0.00 0.00 175.76 174.73 1nby s PRO 113 N -3.71 3.83 -0.33 0.00 0.04 -1.26 -4.51 135.00 129.06 1nby s PRO 113 Ca 0.66 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1nby s PRO 113 Cb -0.17 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1nby s PRO 113 CO 0.31 -0.38 0.21 0.99 0.04 0.00 0.00 177.00 178.16 1nby s THR 114 N -2.46 5.04 -0.13 1.26 2.01 -0.60 -4.86 115.64 115.89 1nby s THR 114 Ca 0.61 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 1nby s THR 114 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1nby s THR 114 CO 0.29 0.03 0.05 -0.69 -0.69 0.00 0.00 174.62 173.61 1nby s VAL 115 N 1.68 4.69 -0.02 3.82 1.01 -1.26 -1.18 120.40 129.15 1nby s VAL 115 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1nby s VAL 115 Cb -0.17 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1nby s VAL 115 CO 0.09 0.55 -0.00 -0.44 0.00 0.00 0.00 175.10 175.30 1nby s SER 116 N -0.37 0.30 0.07 3.32 0.01 -0.52 -4.98 113.70 111.52 1nby s SER 116 Ca 0.09 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.39 1nby s SER 116 Cb -0.12 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1nby s SER 116 CO 0.02 -0.06 -0.11 -0.51 0.41 0.00 0.00 173.24 172.99 1nby s ILE 117 N 0.64 3.29 -0.03 1.44 1.10 -1.26 -0.71 121.20 125.66 1nby s ILE 117 Ca -0.06 -1.16 0.01 0.00 -0.51 0.00 0.00 60.65 58.93 1nby s ILE 117 Cb -0.09 -2.48 0.02 0.00 0.15 0.00 0.00 42.46 40.06 1nby s ILE 117 CO -0.01 0.22 -0.04 -0.36 -2.11 0.00 0.00 174.94 172.64 1nby s PHE 118 N -1.11 0.60 0.89 3.50 0.40 0.14 -4.99 117.98 117.41 1nby s PHE 118 Ca 0.19 -0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 1nby s PHE 118 Cb -0.11 -0.54 0.14 0.00 0.51 0.00 0.00 43.02 43.02 1nby s PHE 118 CO 0.10 -0.14 1.23 -1.25 0.70 0.00 0.00 175.22 175.86 1nby s PRO 119 N 0.73 1.27 0.44 0.24 0.04 -1.26 -1.57 135.00 134.89 1nby s PRO 119 Ca -0.09 -0.07 -0.25 0.00 0.04 0.00 0.00 61.00 60.63 1nby s PRO 119 Cb -0.12 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1nby s PRO 119 CO -0.00 -2.04 1.31 -2.14 0.04 0.00 0.00 177.00 174.17 1nby s PRO 120 N -5.66 3.80 0.63 0.56 0.02 -1.17 -4.78 135.00 128.40 1nby s PRO 120 Ca 0.67 2.16 -0.13 0.00 0.02 0.00 0.00 61.00 63.72 1nby s PRO 120 Cb -0.09 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 1nby s PRO 120 CO 0.51 -0.63 1.05 -1.54 -0.33 0.00 0.00 177.00 176.06 1nby s SER 121 N -0.80 5.76 0.31 2.53 1.04 -1.26 -4.91 113.70 116.37 1nby s SER 121 Ca 0.60 1.64 -0.00 0.00 0.48 0.00 0.00 55.95 58.67 1nby s SER 121 Cb -0.38 -2.50 0.50 0.00 0.10 0.00 0.00 66.02 63.74 1nby s SER 121 CO 0.48 -1.18 1.96 0.28 0.98 0.00 0.00 173.24 175.76 1nby h SER 122 N -0.13 0.89 -0.46 7.02 0.02 -1.99 -1.96 113.55 116.94 1nby h SER 122 Ca -0.45 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 1nby h SER 122 Cb 1.21 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1nby h SER 122 CO 0.58 0.63 0.09 -0.33 -1.14 0.00 0.00 176.83 176.66 1nby h GLU 123 N 1.05 0.76 -0.57 3.45 5.08 -1.99 -1.34 114.58 121.02 1nby h GLU 123 Ca 0.31 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1nby h GLU 123 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1nby h GLU 123 CO -0.08 0.77 -0.04 0.37 -1.00 0.00 0.00 179.01 179.03 1nby h GLN 124 N 0.63 1.01 -0.80 2.33 4.15 -1.77 -2.51 115.11 118.15 1nby h GLN 124 Ca 0.14 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1nby h GLN 124 Cb 0.37 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1nby h GLN 124 CO 0.01 1.01 0.48 -0.07 -1.93 0.00 0.00 178.83 178.33 1nby h LEU 125 N 0.92 0.96 -1.49 -2.39 3.38 -1.17 -0.58 115.31 114.94 1nby h LEU 125 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1nby h LEU 125 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1nby h LEU 125 CO 0.03 0.75 0.24 0.74 0.09 0.00 0.00 178.44 180.29 1nby h THR 126 N 1.10 1.13 0.00 0.22 2.02 -1.05 0.12 112.91 116.45 1nby h THR 126 Ca 0.29 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1nby h THR 126 Cb -0.04 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1nby h THR 126 CO -0.05 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.44 1nby n SER 127 N -4.43 0.00 0.00 4.18 3.41 -0.32 -4.88 113.62 111.57 1nby n SER 127 Ca 0.03 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1nby n SER 127 Cb 0.09 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1nby n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nby n GLY 128 N 1.00 0.73 3.60 5.00 0.00 0.03 -5.05 105.19 110.51 1nby n GLY 128 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1nby n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nby s GLY 129 N -1.97 2.38 -0.30 -0.02 0.00 -0.63 -1.65 107.32 105.13 1nby s GLY 129 Ca 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 44.72 42.53 1nby s GLY 129 CO 0.00 -2.07 0.44 0.00 0.00 0.00 0.00 173.10 171.48 1nby s ALA 130 N -2.67 -1.41 -0.15 3.20 0.00 -0.42 -3.02 121.76 117.30 1nby s ALA 130 Ca 0.34 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 1nby s ALA 130 Cb 0.07 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1nby s ALA 130 CO 0.18 -1.80 0.05 -1.12 0.00 0.00 0.00 175.76 173.07 1nby s SER 131 N 2.53 5.60 -0.19 0.00 0.01 -1.26 -0.43 113.70 119.96 1nby s SER 131 Ca 0.10 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.46 1nby s SER 131 Cb -0.12 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1nby s SER 131 CO -0.28 0.24 -0.04 -0.69 0.41 0.00 0.00 173.24 172.88 1nby s VAL 132 N -0.06 3.62 -0.09 3.43 1.01 0.11 -3.05 120.40 125.37 1nby s VAL 132 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1nby s VAL 132 Cb -0.12 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1nby s VAL 132 CO 0.01 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 1nby s VAL 133 N 0.93 3.33 -0.11 2.92 1.01 -0.61 -0.64 120.40 127.24 1nby s VAL 133 Ca -0.00 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1nby s VAL 133 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1nby s VAL 133 CO 0.01 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.55 1nby s PHE 135 N 1.17 3.27 -0.32 0.00 0.08 0.11 -0.71 117.98 121.58 1nby s PHE 135 Ca -0.04 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.24 1nby s PHE 135 Cb -0.14 -1.89 0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1nby s PHE 135 CO -0.03 0.44 0.09 -0.51 -0.10 0.00 0.00 175.22 175.11 1nby s LEU 136 N -0.61 2.98 0.10 -0.37 1.02 0.39 -1.44 118.68 120.75 1nby s LEU 136 Ca 0.11 -1.80 0.05 0.00 0.02 0.00 0.00 54.13 52.51 1nby s LEU 136 Cb -0.12 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1nby s LEU 136 CO 0.02 -0.40 -0.02 0.20 0.02 0.00 0.00 176.35 176.17 1nby s ASN 137 N 1.39 4.91 -1.11 2.29 0.01 -0.33 -0.49 114.94 121.61 1nby s ASN 137 Ca 0.10 -0.22 -0.22 0.00 -0.71 0.00 0.00 52.86 51.81 1nby s ASN 137 Cb -0.18 -1.13 0.01 0.00 0.41 0.00 0.00 41.25 40.36 1nby s ASN 137 CO -0.20 0.17 0.75 0.59 -1.51 0.00 0.00 177.10 176.90 1nby n ASN 138 N 0.56 -5.09 -4.59 -1.22 4.13 -0.96 -1.56 115.26 106.54 1nby n ASN 138 Ca -0.11 -1.05 -0.24 0.00 1.68 0.00 0.00 54.58 54.86 1nby n ASN 138 Cb 0.52 -2.84 -0.08 0.00 -1.54 0.00 0.00 39.78 35.84 1nby n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1nby s PHE 139 N -3.41 2.53 -0.24 3.10 -0.71 0.06 -4.59 117.98 114.71 1nby s PHE 139 Ca 0.42 -0.32 -0.20 0.00 -1.04 0.00 0.00 56.93 55.79 1nby s PHE 139 Cb -0.18 -1.22 0.06 0.00 -1.21 0.00 0.00 43.02 40.48 1nby s PHE 139 CO 0.89 0.61 0.63 -0.47 -1.34 0.00 0.00 175.22 175.54 1nby s TYR 140 N -2.44 -0.76 1.18 3.49 6.14 -0.23 -0.70 117.35 124.03 1nby s TYR 140 Ca 0.32 1.75 -0.19 0.00 0.64 0.00 0.00 57.07 59.59 1nby s TYR 140 Cb -0.04 0.32 0.28 0.00 0.42 0.00 0.00 41.96 42.94 1nby s TYR 140 CO 0.18 -0.37 1.16 -1.25 0.64 0.00 0.00 175.55 175.91 1nby s PRO 141 N 0.66 -1.05 0.40 4.97 0.04 -1.26 -0.77 135.00 137.99 1nby s PRO 141 Ca -0.03 -0.23 0.17 0.00 0.04 0.00 0.00 61.00 60.95 1nby s PRO 141 Cb -0.05 -1.63 0.85 0.00 0.04 0.00 0.00 34.50 33.71 1nby s PRO 141 CO -0.04 -3.57 1.84 -0.22 0.04 0.00 0.00 177.00 175.06 1nby h LYS 142 N -2.47 0.00 -6.63 4.56 3.64 -1.98 -3.45 116.57 110.25 1nby h LYS 142 Ca -0.43 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.42 1nby h LYS 142 Cb 1.27 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1nby h LYS 142 CO 0.31 0.33 0.62 0.16 -2.27 0.00 0.00 179.45 178.60 1nby s ASP 143 N -6.63 6.96 0.05 4.20 3.84 -1.26 -4.99 116.67 118.84 1nby s ASP 143 Ca -0.02 2.29 -0.25 0.00 -0.00 0.00 0.00 52.55 54.57 1nby s ASP 143 Cb 0.13 -2.60 0.06 0.00 -1.38 0.00 0.00 42.92 39.13 1nby s ASP 143 CO 0.69 -0.49 0.58 -0.51 -0.00 0.00 0.00 175.17 175.43 1nby s ILE 144 N 0.36 0.02 -0.06 2.11 -1.16 -1.26 -4.66 121.20 116.54 1nby s ILE 144 Ca 0.57 -0.13 0.04 0.00 -0.51 0.00 0.00 60.65 60.63 1nby s ILE 144 Cb -0.34 -0.99 -0.00 0.00 0.61 0.00 0.00 42.46 41.74 1nby s ILE 144 CO 0.35 -0.07 -0.18 0.21 -2.81 0.00 0.00 174.94 172.44 1nby s ASN 145 N -2.00 2.32 -0.11 4.50 3.84 -0.58 -4.98 114.94 117.94 1nby s ASN 145 Ca -0.05 -0.39 0.03 0.00 0.21 0.00 0.00 52.86 52.66 1nby s ASN 145 Cb -0.01 -0.80 0.00 0.00 -0.55 0.00 0.00 41.25 39.90 1nby s ASN 145 CO -0.02 0.14 -0.22 0.54 -2.79 0.00 0.00 177.10 174.75 1nby s VAL 146 N 0.19 1.94 -0.04 -5.21 0.11 -1.26 -0.65 120.40 115.48 1nby s VAL 146 Ca -0.08 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 1nby s VAL 146 Cb -0.14 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 1nby s VAL 146 CO 0.04 0.53 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.58 1nby s LYS 147 N 0.52 2.00 -0.01 1.54 1.02 -0.20 -4.96 119.74 119.66 1nby s LYS 147 Ca -0.15 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1nby s LYS 147 Cb -0.17 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1nby s LYS 147 CO 0.05 0.39 0.04 -1.58 -0.92 0.00 0.00 175.35 173.33 1nby s TRP 148 N -0.28 3.18 -0.02 3.18 0.52 -1.26 -0.25 118.94 124.01 1nby s TRP 148 Ca 0.02 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.30 1nby s TRP 148 Cb -0.11 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1nby s TRP 148 CO 0.01 0.50 -0.00 0.15 0.02 0.00 0.00 176.95 177.63 1nby s LYS 149 N -1.56 0.25 -0.18 4.98 1.02 -0.11 -0.54 119.74 123.60 1nby s LYS 149 Ca 0.20 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1nby s LYS 149 Cb -0.12 -0.39 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1nby s LYS 149 CO 0.11 -0.09 -0.17 0.42 -0.92 0.00 0.00 175.35 174.70 1nby s ILE 150 N 0.77 2.35 -1.29 2.17 -1.09 -0.00 -1.01 121.20 123.10 1nby s ILE 150 Ca -0.07 -0.85 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 1nby s ILE 150 Cb -0.11 -2.00 0.05 0.00 -1.58 0.00 0.00 42.46 38.82 1nby s ILE 150 CO -0.01 0.52 0.43 0.47 -1.23 0.00 0.00 174.94 175.11 1nby n ASP 151 N 4.54 -4.14 0.00 3.58 8.00 0.05 -1.20 116.55 127.38 1nby n ASP 151 Ca -0.20 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1nby n ASP 151 Cb 0.50 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 1nby n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nby n GLY 152 N -1.17 1.12 3.54 0.44 0.00 -1.26 -5.02 105.19 102.83 1nby n GLY 152 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1nby n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nby s SER 153 N -3.03 5.00 0.35 1.61 0.01 -0.34 -5.06 113.70 112.25 1nby s SER 153 Ca 0.00 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.91 1nby s SER 153 Cb 0.00 -1.81 -0.11 0.00 0.21 0.00 0.00 66.02 64.31 1nby s SER 153 CO 0.00 0.18 1.48 -0.70 0.41 0.00 0.00 173.24 174.61 1nby s GLU 154 N 0.31 4.14 -0.09 12.44 2.12 -1.26 -0.82 118.70 135.53 1nby s GLU 154 Ca -0.02 2.53 0.02 0.00 0.36 0.00 0.00 54.97 57.86 1nby s GLU 154 Cb -0.14 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.27 1nby s GLU 154 CO 0.02 -0.51 -0.15 0.50 -0.54 0.00 0.00 175.26 174.59 1nby s ARG 155 N -1.75 2.11 -0.08 4.30 6.06 0.30 -4.87 118.95 125.02 1nby s ARG 155 Ca 0.54 -0.53 0.02 0.00 -2.50 0.00 0.00 55.73 53.26 1nby s ARG 155 Cb -0.46 -1.77 -0.06 0.00 0.06 0.00 0.00 34.95 32.72 1nby s ARG 155 CO 0.59 -0.02 -0.05 1.04 -2.50 0.00 0.00 175.30 174.36 1nby n GLN 156 N 4.06 0.95 -2.14 5.12 3.00 -1.26 -4.16 117.38 122.94 1nby n GLN 156 Ca -0.20 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 1nby n GLN 156 Cb 0.51 -1.17 -0.03 0.00 0.00 0.00 0.00 30.24 29.56 1nby n GLN 156 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1nby s ASN 157 N -4.55 6.80 0.00 1.08 -0.87 -1.26 -2.66 114.94 113.48 1nby s ASN 157 Ca -0.09 2.44 0.00 0.00 -1.57 0.00 0.00 52.86 53.63 1nby s ASN 157 Cb 0.03 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1nby s ASN 157 CO 0.22 -0.63 0.00 0.61 -2.57 0.00 0.00 177.10 174.72 1nby n GLY 158 N 2.91 0.73 3.69 0.66 0.00 -1.26 -4.86 105.19 107.06 1nby n GLY 158 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1nby n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nby s VAL 159 N -2.70 5.25 -0.06 1.61 1.01 -1.09 -1.07 120.40 123.34 1nby s VAL 159 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1nby s VAL 159 Cb 0.00 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1nby s VAL 159 CO 0.00 0.31 -0.14 -0.76 0.00 0.00 0.00 175.10 174.51 1nby s LEU 160 N 0.99 1.73 0.15 3.92 1.43 0.09 -4.97 118.68 122.02 1nby s LEU 160 Ca 0.18 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1nby s LEU 160 Cb -0.14 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1nby s LEU 160 CO 0.07 0.07 -0.08 0.20 0.23 0.00 0.00 176.35 176.83 1nby s ASN 161 N 0.49 4.41 -0.04 2.29 0.01 -1.26 -0.68 114.94 120.15 1nby s ASN 161 Ca -0.12 -0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 51.54 1nby s ASN 161 Cb -0.15 -0.82 0.02 0.00 0.41 0.00 0.00 41.25 40.71 1nby s ASN 161 CO 0.04 0.13 0.10 -0.55 -1.51 0.00 0.00 177.10 175.31 1nby s SER 162 N -2.58 -0.07 -0.02 -1.22 0.15 -0.29 -5.00 113.70 104.67 1nby s SER 162 Ca 0.24 0.21 0.08 0.00 0.70 0.00 0.00 55.95 57.17 1nby s SER 162 Cb -0.10 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1nby s SER 162 CO 0.15 -0.10 -0.25 0.26 1.20 0.00 0.00 173.24 174.50 1nby s TRP 163 N 0.69 2.35 0.56 3.44 0.51 -1.26 -1.02 118.94 124.21 1nby s TRP 163 Ca -0.05 -0.43 -0.05 0.00 -2.12 0.00 0.00 56.10 53.45 1nby s TRP 163 Cb -0.07 -1.50 0.00 0.00 -0.81 0.00 0.00 33.47 31.09 1nby s TRP 163 CO -0.03 -0.02 0.86 0.95 -0.51 0.00 0.00 176.95 178.20 1nby s THR 164 N -0.62 3.83 0.89 2.01 -4.23 -0.82 -5.02 115.64 111.68 1nby s THR 164 Ca 0.10 -0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1nby s THR 164 Cb -0.10 -3.50 0.12 0.00 1.34 0.00 0.00 72.50 70.36 1nby s THR 164 CO -0.01 -0.50 1.14 -1.81 -0.54 0.00 0.00 174.62 172.90 1nby s ASP 165 N -4.27 3.74 0.22 3.99 1.01 -1.26 -4.61 116.67 115.49 1nby s ASP 165 Ca 0.53 0.99 -0.32 0.00 0.71 0.00 0.00 52.55 54.45 1nby s ASP 165 Cb -0.10 -1.57 -0.13 0.00 1.01 0.00 0.00 42.92 42.12 1nby s ASP 165 CO 0.44 -2.41 1.51 1.67 0.21 0.00 0.00 175.17 176.60 1nby n GLN 166 N -3.67 2.22 -1.86 8.23 7.27 -1.26 -4.75 117.38 123.55 1nby n GLN 166 Ca 0.07 0.79 -0.42 0.00 0.07 0.00 0.00 57.00 57.51 1nby n GLN 166 Cb 0.59 -2.52 -0.03 0.00 2.41 0.00 0.00 30.24 30.69 1nby n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nby s ASP 167 N 0.59 6.56 0.41 1.69 3.68 0.13 -4.91 116.67 124.82 1nby s ASP 167 Ca 0.72 2.48 0.07 0.00 2.13 0.00 0.00 52.55 57.94 1nby s ASP 167 Cb -0.63 -2.54 0.85 0.00 -1.45 0.00 0.00 42.92 39.15 1nby s ASP 167 CO 0.44 -0.96 2.06 0.28 0.13 0.00 0.00 175.17 177.12 1nby h SER 168 N 9.51 0.49 -0.03 -0.34 0.02 -1.89 0.24 113.55 121.54 1nby h SER 168 Ca -0.44 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.30 1nby h SER 168 Cb 1.21 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.64 1nby h SER 168 CO 0.94 0.35 -0.77 0.11 -1.14 0.00 0.00 176.83 176.33 1nby h LYS 169 N 0.57 0.58 0.00 3.45 1.57 -1.97 -3.40 116.57 117.37 1nby h LYS 169 Ca 0.16 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1nby h LYS 169 Cb -0.06 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nby h LYS 169 CO -0.03 1.20 0.00 -0.40 -0.57 0.00 0.00 179.45 179.64 1nby n ASP 170 N -4.06 0.52 -1.52 0.86 5.68 -1.20 -5.02 116.55 111.81 1nby n ASP 170 Ca -0.10 -1.25 -0.19 0.00 -0.50 0.00 0.00 54.79 52.76 1nby n ASP 170 Cb 0.75 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.65 1nby n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1nby n SER 171 N -0.12 -5.29 -4.59 -1.12 7.64 0.84 -4.98 113.62 105.99 1nby n SER 171 Ca 0.00 0.42 -0.19 0.00 1.01 0.00 0.00 58.87 60.11 1nby n SER 171 Cb 0.41 -4.45 0.08 0.00 -1.01 0.00 0.00 64.21 59.24 1nby n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nby n THR 172 N -2.61 0.00 -4.31 0.44 -2.24 -1.26 -4.64 114.28 99.67 1nby n THR 172 Ca -0.19 -1.68 -0.21 0.00 -2.27 0.00 0.00 64.05 59.70 1nby n THR 172 Cb 0.63 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1nby n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nby s TYR 173 N -2.49 1.72 0.07 4.78 2.02 0.12 0.19 117.35 123.76 1nby s TYR 173 Ca 0.58 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.81 1nby s TYR 173 Cb -0.04 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 1nby s TYR 173 CO 0.37 0.27 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.45 1nby s SER 174 N -2.53 0.88 -0.03 2.29 0.01 -1.26 -0.76 113.70 112.29 1nby s SER 174 Ca 0.13 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 1nby s SER 174 Cb -0.06 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.30 1nby s SER 174 CO 0.05 -0.42 0.35 -0.32 0.41 0.00 0.00 173.24 173.32 1nby s MET 175 N -3.13 0.68 -0.03 12.44 0.00 0.36 -1.94 119.30 127.67 1nby s MET 175 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 55.69 55.71 1nby s MET 175 Cb 0.01 0.30 -0.01 0.00 0.00 0.00 0.00 34.83 35.13 1nby s MET 175 CO -0.04 -0.18 -0.22 -1.54 0.00 0.00 0.00 175.02 173.03 1nby s SER 176 N -1.15 2.69 -0.07 1.11 1.04 -0.19 -0.46 113.70 116.67 1nby s SER 176 Ca -0.12 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1nby s SER 176 Cb -0.04 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1nby s SER 176 CO 0.04 0.25 -0.13 -0.55 0.98 0.00 0.00 173.24 173.83 1nby s SER 177 N -0.32 1.95 -0.07 7.02 0.15 0.11 -1.14 113.70 121.40 1nby s SER 177 Ca 0.03 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1nby s SER 177 Cb -0.11 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 1nby s SER 177 CO 0.01 0.03 -0.14 -0.89 1.20 0.00 0.00 173.24 173.45 1nby s THR 178 N 0.75 1.24 -0.31 6.45 2.01 0.14 -0.59 115.64 125.33 1nby s THR 178 Ca -0.13 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1nby s THR 178 Cb -0.16 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1nby s THR 178 CO 0.03 0.38 0.12 -0.22 -0.69 0.00 0.00 174.62 174.24 1nby s LEU 179 N 0.58 4.05 -0.21 4.42 2.96 0.19 -0.74 118.68 129.93 1nby s LEU 179 Ca -0.14 -0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 1nby s LEU 179 Cb -0.16 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1nby s LEU 179 CO 0.04 -0.21 0.01 -0.89 -1.32 0.00 0.00 176.35 173.97 1nby s THR 180 N 1.55 3.96 0.41 3.68 2.01 -0.24 0.06 115.64 127.08 1nby s THR 180 Ca 0.03 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1nby s THR 180 Cb -0.17 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1nby s THR 180 CO 0.04 0.41 0.10 -0.76 -0.69 0.00 0.00 174.62 173.73 1nby s LEU 181 N 1.14 2.06 0.50 4.42 1.43 0.43 -4.69 118.68 123.97 1nby s LEU 181 Ca 0.03 -1.63 -0.03 0.00 -1.03 0.00 0.00 54.13 51.47 1nby s LEU 181 Cb -0.14 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 1nby s LEU 181 CO 0.02 -0.87 0.77 0.42 0.23 0.00 0.00 176.35 176.91 1nby s THR 182 N -3.18 4.07 0.23 5.49 -4.23 -1.26 -1.30 115.64 115.47 1nby s THR 182 Ca 0.23 -0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1nby s THR 182 Cb 0.03 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.51 1nby s THR 182 CO 0.13 -0.47 1.82 0.50 -0.54 0.00 0.00 174.62 176.06 1nby h LYS 183 N 0.18 0.79 -0.76 3.99 3.64 -1.50 -1.53 116.57 121.38 1nby h LYS 183 Ca -0.46 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1nby h LYS 183 Cb 1.24 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1nby h LYS 183 CO 0.59 0.53 0.50 -0.44 -2.27 0.00 0.00 179.45 178.36 1nby h ASP 184 N 0.82 0.87 -0.23 4.20 3.45 -1.94 -1.06 116.42 122.52 1nby h ASP 184 Ca 0.35 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 1nby h ASP 184 Cb 0.23 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1nby h ASP 184 CO -0.20 0.63 -0.01 -0.33 -1.57 0.00 0.00 179.24 177.76 1nby h GLU 185 N 1.02 0.42 -0.77 3.56 5.08 -1.81 -2.91 114.58 119.17 1nby h GLU 185 Ca 0.28 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1nby h GLU 185 Cb -0.11 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.04 1nby h GLU 185 CO -0.06 0.61 0.46 -0.92 -1.00 0.00 0.00 179.01 178.10 1nby h TYR 186 N 0.18 0.85 0.00 4.33 3.20 -1.00 -1.95 116.97 122.59 1nby h TYR 186 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nby h TYR 186 Cb 0.43 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1nby h TYR 186 CO 0.04 0.42 0.00 0.39 -1.64 0.00 0.00 178.16 177.37 1nby n GLU 187 N -4.69 0.40 0.03 1.82 1.02 -0.43 -2.64 120.64 116.14 1nby n GLU 187 Ca 0.10 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1nby n GLU 187 Cb 0.17 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.31 1nby n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nby n ARG 188 N -1.27 0.14 -4.51 3.49 0.63 -0.74 -4.93 116.66 109.48 1nby n ARG 188 Ca 0.13 0.03 -0.24 0.00 -0.92 0.00 0.00 57.85 56.85 1nby n ARG 188 Cb 0.21 -1.58 -0.11 0.00 0.45 0.00 0.00 32.46 31.43 1nby n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1nby s HIS 189 N -3.08 2.19 -0.03 -0.14 3.76 -1.08 -5.10 115.29 111.81 1nby s HIS 189 Ca 0.09 -0.71 -0.04 0.00 -0.15 0.00 0.00 55.06 54.25 1nby s HIS 189 Cb 0.16 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.44 1nby s HIS 189 CO 0.71 0.32 -0.09 -1.71 -0.85 0.00 0.00 174.74 173.12 1nby n ASN 190 N -0.75 0.86 -4.65 1.40 5.15 -1.26 -4.74 115.26 111.27 1nby n ASN 190 Ca -0.04 0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.67 1nby n ASN 190 Cb 0.65 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 39.52 1nby n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nby s SER 191 N -5.79 6.58 -0.15 1.20 0.15 -1.26 -0.15 113.70 114.28 1nby s SER 191 Ca -0.09 0.70 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1nby s SER 191 Cb 0.03 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1nby s SER 191 CO 0.12 -0.24 -0.20 -0.31 1.20 0.00 0.00 173.24 173.82 1nby s TYR 192 N 1.87 2.59 0.01 3.44 1.51 -0.65 -0.77 117.35 125.35 1nby s TYR 192 Ca 0.25 -1.39 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1nby s TYR 192 Cb -0.16 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1nby s TYR 192 CO 0.10 -0.67 -0.07 0.99 -1.11 0.00 0.00 175.55 174.79 1nby s THR 193 N 1.05 0.50 -0.10 -0.71 2.01 -0.18 -1.99 115.64 116.22 1nby s THR 193 Ca -0.02 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1nby s THR 193 Cb -0.14 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1nby s THR 193 CO -0.06 -0.02 -0.11 0.00 -0.69 0.00 0.00 174.62 173.74 1nby s GLU 195 N 1.23 3.19 -0.16 0.00 2.02 0.66 -2.12 118.70 123.51 1nby s GLU 195 Ca -0.03 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 1nby s GLU 195 Cb -0.14 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1nby s GLU 195 CO -0.04 0.31 -0.10 0.00 0.02 0.00 0.00 175.26 175.46 1nby s ALA 196 N 0.09 2.70 -0.19 5.21 0.00 0.20 -1.03 121.76 128.74 1nby s ALA 196 Ca -0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1nby s ALA 196 Cb -0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1nby s ALA 196 CO 0.04 0.04 -0.05 0.99 0.00 0.00 0.00 175.76 176.78 1nby s THR 197 N 0.70 3.52 0.02 0.00 2.01 0.17 -0.73 115.64 121.33 1nby s THR 197 Ca -0.05 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1nby s THR 197 Cb -0.15 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1nby s THR 197 CO 0.02 0.45 0.00 -2.28 -0.69 0.00 0.00 174.62 172.12 1nby s HIS 198 N 0.99 0.23 -0.82 4.92 2.46 -1.26 -1.52 115.29 120.29 1nby s HIS 198 Ca 0.00 -0.49 0.05 0.00 0.47 0.00 0.00 55.06 55.09 1nby s HIS 198 Cb -0.15 -0.17 0.27 0.00 -0.13 0.00 0.00 32.58 32.40 1nby s HIS 198 CO 0.01 -0.22 1.15 0.36 -2.47 0.00 0.00 174.74 173.57 1nby n LYS 199 N 1.49 0.03 0.00 2.88 2.85 -1.26 -2.01 118.16 122.14 1nby n LYS 199 Ca -0.23 0.53 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 1nby n LYS 199 Cb 0.55 -1.60 0.61 0.00 -0.65 0.00 0.00 35.03 33.94 1nby n LYS 199 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1nby n THR 200 N -1.67 0.07 -3.64 0.58 -2.24 -1.26 -4.77 114.28 101.35 1nby n THR 200 Ca -0.00 0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1nby n THR 200 Cb 0.01 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 1nby n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nby s SER 201 N -2.10 -0.26 0.27 3.42 1.04 -0.85 -4.97 113.70 110.24 1nby s SER 201 Ca 0.30 0.49 0.25 0.00 0.48 0.00 0.00 55.95 57.47 1nby s SER 201 Cb 0.15 0.49 0.89 0.00 0.10 0.00 0.00 66.02 67.65 1nby s SER 201 CO 0.26 -0.10 1.75 0.74 0.98 0.00 0.00 173.24 176.87 1nby h THR 202 N 3.26 0.00 -3.60 2.02 2.02 -1.86 -3.40 112.91 111.35 1nby h THR 202 Ca -0.26 -0.41 -0.62 0.00 0.77 0.00 0.00 66.41 65.89 1nby h THR 202 Cb 1.18 1.30 -0.14 0.00 -1.74 0.00 0.00 68.15 68.76 1nby h THR 202 CO 0.15 0.00 -0.32 -0.44 0.37 0.00 0.00 175.52 175.28 1nby s SER 203 N -4.61 6.27 0.44 4.18 0.01 -1.26 -5.06 113.70 113.68 1nby s SER 203 Ca 0.07 0.30 -0.24 0.00 1.31 0.00 0.00 55.95 57.39 1nby s SER 203 Cb 0.10 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 64.08 1nby s SER 203 CO 0.51 -0.06 1.20 -2.16 0.41 0.00 0.00 173.24 173.15 1nby s PRO 204 N 1.45 3.81 -0.13 12.44 0.04 -1.26 -4.88 135.00 146.46 1nby s PRO 204 Ca 0.14 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1nby s PRO 204 Cb -0.15 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1nby s PRO 204 CO 0.08 -0.54 0.98 0.42 0.04 0.00 0.00 177.00 177.98 1nby s ILE 205 N -1.45 4.79 -0.18 0.56 1.01 0.09 -4.85 121.20 121.17 1nby s ILE 205 Ca 0.62 1.97 -0.00 0.00 0.00 0.00 0.00 60.65 63.24 1nby s ILE 205 Cb -0.31 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 37.88 1nby s ILE 205 CO 0.39 -0.01 -0.16 -0.69 0.00 0.00 0.00 174.94 174.46 1nby s VAL 206 N 2.18 2.46 -0.06 2.92 1.01 -1.26 -0.63 120.40 127.03 1nby s VAL 206 Ca 0.46 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1nby s VAL 206 Cb -0.18 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1nby s VAL 206 CO 0.15 0.51 -0.21 -0.54 0.00 0.00 0.00 175.10 175.02 1nby s LYS 207 N 1.19 2.58 0.26 2.72 -0.14 -0.90 -5.02 119.74 120.43 1nby s LYS 207 Ca 0.02 -0.82 -0.18 0.00 -1.36 0.00 0.00 55.97 53.62 1nby s LYS 207 Cb -0.14 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.76 1nby s LYS 207 CO -0.07 0.45 0.62 0.45 -0.76 0.00 0.00 175.35 176.04 1nby s SER 208 N -0.32 -0.22 0.06 2.83 0.15 -1.26 -1.67 113.70 113.27 1nby s SER 208 Ca 0.02 -0.66 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 1nby s SER 208 Cb -0.13 0.67 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 1nby s SER 208 CO 0.02 -1.24 0.62 0.72 1.20 0.00 0.00 173.24 174.57 1nby s PHE 209 N -3.93 -0.58 -0.18 3.44 -0.12 -0.84 -5.02 117.98 110.75 1nby s PHE 209 Ca 0.14 0.67 -0.03 0.00 -0.05 0.00 0.00 56.93 57.65 1nby s PHE 209 Cb -0.04 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1nby s PHE 209 CO 0.06 -0.73 -0.05 -0.80 -0.05 0.00 0.00 175.22 173.64 1nby s ASN 210 N -2.05 4.50 0.54 1.98 0.01 -1.26 -1.64 114.94 117.02 1nby s ASN 210 Ca -0.04 -0.26 0.21 0.00 -0.71 0.00 0.00 52.86 52.05 1nby s ASN 210 Cb -0.01 -1.74 1.39 0.00 0.41 0.00 0.00 41.25 41.30 1nby s ASN 210 CO -0.03 0.09 2.11 -0.09 -1.51 0.00 0.00 177.10 177.67 1nby h ARG 211 N 7.29 0.00 -0.27 -0.60 2.43 -0.84 -2.89 114.38 119.50 1nby h ARG 211 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1nby h ARG 211 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1nby h ARG 211 CO 0.60 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.33 1nby n ASN 212 N -4.36 2.96 -3.05 -3.80 2.04 -1.26 -4.72 115.26 103.07 1nby n ASN 212 Ca 0.01 -1.87 -0.15 0.00 -0.44 0.00 0.00 54.58 52.14 1nby n ASN 212 Cb 0.27 -0.17 -0.04 0.00 -2.53 0.00 0.00 39.78 37.30 1nby n ASN 212 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1nby s GLU 213 N -1.27 1.00 0.00 -3.83 2.12 -1.09 -5.24 118.70 110.39 1nby s GLU 213 Ca 0.29 -1.54 0.14 0.00 0.36 0.00 0.00 54.97 54.21 1nby s GLU 213 Cb 0.17 -0.67 0.84 0.00 0.26 0.00 0.00 34.13 34.73 1nby s GLU 213 CO 0.24 -1.36 1.26 0.00 -0.54 0.00 0.00 175.26 174.86