#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3muh s ALA 3 N 0.00 0.80 -0.01 -0.43 0.00 -1.26 -4.76 121.76 116.09 3muh s ALA 3 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 3muh s ALA 3 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3muh s ALA 3 CO 0.00 -0.08 0.99 -0.51 0.00 0.00 0.00 175.76 176.16 3muh s LEU 4 N -2.14 4.36 -0.13 0.00 1.02 -0.15 -4.96 118.68 116.68 3muh s LEU 4 Ca -0.01 1.65 -0.22 0.00 0.02 0.00 0.00 54.13 55.57 3muh s LEU 4 Cb -0.05 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.56 3muh s LEU 4 CO -0.01 -0.28 0.64 -0.89 0.02 0.00 0.00 176.35 175.83 3muh s THR 5 N 1.12 5.05 0.05 5.49 2.01 -0.22 -2.07 115.64 127.07 3muh s THR 5 Ca 0.52 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.80 3muh s THR 5 Cb -0.21 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3muh s THR 5 CO 0.27 0.20 -0.05 0.00 -0.69 0.00 0.00 174.62 174.35 3muh s GLN 6 N 1.26 0.53 0.85 4.92 -2.07 -1.26 0.68 119.66 124.56 3muh s GLN 6 Ca 0.32 -0.90 -0.13 0.00 -1.82 0.00 0.00 55.36 52.84 3muh s GLN 6 Cb -0.16 -0.05 0.08 0.00 -1.09 0.00 0.00 33.01 31.79 3muh s GLN 6 CO 0.13 -0.02 1.01 -0.35 -1.32 0.00 0.00 175.29 174.74 3muh n PRO 7 N 0.99 -0.05 -0.07 9.60 -0.04 -1.26 -4.73 135.00 139.44 3muh n PRO 7 Ca -0.20 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 3muh n PRO 7 Cb 0.57 -2.28 -0.12 0.00 -0.04 0.00 0.00 33.50 31.63 3muh n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3muh h ALA 8 N -1.22 -0.00 -3.85 0.55 0.00 -1.99 -3.35 119.26 109.40 3muh h ALA 8 Ca -0.45 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 53.64 3muh h ALA 8 Cb 1.29 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.81 3muh h ALA 8 CO 0.43 -0.01 -0.76 0.45 0.00 0.00 0.00 179.25 179.35 3muh s SER 9 N -6.17 0.90 -0.03 0.00 0.15 -1.26 -1.40 113.70 105.90 3muh s SER 9 Ca -0.18 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 3muh s SER 9 Cb -0.03 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3muh s SER 9 CO 0.66 0.04 0.05 -0.69 1.20 0.00 0.00 173.24 174.50 3muh s VAL 11 N -0.38 -0.06 -0.00 4.45 1.01 -1.15 -4.95 120.40 119.32 3muh s VAL 11 Ca 0.01 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.26 3muh s VAL 11 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 3muh s VAL 11 CO -0.00 0.08 -0.21 -0.44 0.00 0.00 0.00 175.10 174.53 3muh s SER 12 N 1.07 2.48 0.04 3.32 0.01 -1.26 -1.27 113.70 118.09 3muh s SER 12 Ca -0.09 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3muh s SER 12 Cb -0.12 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 3muh s SER 12 CO -0.03 0.23 -0.04 -0.83 0.41 0.00 0.00 173.24 172.98 3muh s GLY 13 N -0.68 0.41 0.09 3.44 0.00 -0.13 -4.96 107.32 105.49 3muh s GLY 13 Ca 0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.77 3muh s GLY 13 CO -0.00 -0.99 0.46 -0.56 0.00 0.00 0.00 173.10 172.01 3muh s SER 14 N -2.15 6.75 -0.28 1.64 0.01 -1.26 -1.70 113.70 116.71 3muh s SER 14 Ca -0.04 0.94 -0.28 0.00 1.31 0.00 0.00 55.95 57.88 3muh s SER 14 Cb -0.02 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 3muh s SER 14 CO -0.04 0.18 2.21 -2.84 0.41 0.00 0.00 173.24 173.15 3muh s PRO 15 N -1.76 2.95 0.00 12.44 0.02 -1.26 -2.16 135.00 145.23 3muh s PRO 15 Ca 0.33 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3muh s PRO 15 Cb -0.15 -4.40 0.00 0.00 0.02 0.00 0.00 34.50 29.97 3muh s PRO 15 CO 0.18 -2.31 0.00 0.41 -0.33 0.00 0.00 177.00 174.95 3muh n GLY 16 N 5.78 1.22 3.73 0.52 0.00 -0.66 -4.91 105.19 110.86 3muh n GLY 16 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 3muh n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3muh s GLN 17 N 0.00 1.18 0.16 1.61 -1.52 -0.92 -3.35 119.66 116.82 3muh s GLN 17 Ca 0.00 0.68 -0.00 0.00 -1.95 0.00 0.00 55.36 54.09 3muh s GLN 17 Cb 0.00 -1.81 -0.04 0.00 -0.22 0.00 0.00 33.01 30.94 3muh s GLN 17 CO 0.00 -2.26 0.33 -1.12 -0.25 0.00 0.00 175.29 171.99 3muh s SER 18 N -3.55 6.38 -0.01 5.90 0.01 -1.26 -1.84 113.70 119.33 3muh s SER 18 Ca 0.63 0.33 0.01 0.00 1.31 0.00 0.00 55.95 58.24 3muh s SER 18 Cb -0.17 -1.98 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 3muh s SER 18 CO 0.56 0.03 -0.05 -0.51 0.41 0.00 0.00 173.24 173.68 3muh s ILE 19 N -1.75 0.39 -0.16 1.44 1.10 0.18 -4.97 121.20 117.43 3muh s ILE 19 Ca 0.37 -0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.31 3muh s ILE 19 Cb -0.11 -0.34 0.02 0.00 0.15 0.00 0.00 42.46 42.18 3muh s ILE 19 CO 0.28 0.11 -0.16 -0.89 -2.11 0.00 0.00 174.94 172.18 3muh s THR 20 N -0.05 1.71 -0.30 4.00 2.01 -1.26 -2.17 115.64 119.57 3muh s THR 20 Ca 0.01 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3muh s THR 20 Cb -0.03 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.90 3muh s THR 20 CO -0.00 0.48 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 3muh s ILE 21 N 1.42 4.23 0.72 1.82 1.01 -0.72 -4.98 121.20 124.71 3muh s ILE 21 Ca 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 3muh s ILE 21 Cb -0.13 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.23 3muh s ILE 21 CO -0.11 0.09 1.07 -0.94 0.00 0.00 0.00 174.94 175.05 3muh s SER 22 N 1.55 4.98 -0.34 3.58 1.04 -1.26 -1.65 113.70 121.59 3muh s SER 22 Ca 0.04 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.28 3muh s SER 22 Cb -0.17 -1.45 0.17 0.00 0.10 0.00 0.00 66.02 64.67 3muh s SER 22 CO 0.04 -1.56 0.48 0.00 0.98 0.00 0.00 173.24 173.18 3muh s ASN 24 N 2.08 7.11 0.00 0.00 -0.87 0.21 -0.84 114.94 122.63 3muh s ASN 24 Ca 0.13 1.34 0.00 0.00 -1.57 0.00 0.00 52.86 52.77 3muh s ASN 24 Cb -0.11 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 3muh s ASN 24 CO -0.16 -0.27 0.00 0.61 -2.57 0.00 0.00 177.10 174.71 3muh n GLY 25 N 3.15 5.71 3.61 0.66 0.00 0.95 -1.05 105.19 118.22 3muh n GLY 25 Ca 0.03 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 3muh n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3muh s THR 26 N -0.11 1.87 0.63 2.61 -1.32 -1.26 -4.80 115.64 113.26 3muh s THR 26 Ca 0.00 -2.00 0.37 0.00 -1.21 0.00 0.00 61.69 58.85 3muh s THR 26 Cb 0.00 -2.94 0.40 0.00 -1.51 0.00 0.00 72.50 68.45 3muh s THR 26 CO 0.00 0.00 2.29 0.77 -2.21 0.00 0.00 174.62 175.47 3muh h SER 27 N 1.79 0.00 0.44 8.08 4.64 -1.95 0.14 113.55 126.70 3muh h SER 27 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3muh h SER 27 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3muh h SER 27 CO 0.79 0.00 -0.06 -3.20 -0.87 0.00 0.00 176.83 173.49 3muh n ASN 27 N -3.45 0.25 0.00 4.97 2.85 -1.26 -2.13 115.26 116.48 3muh n ASN 27 Ca -0.03 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 3muh n ASN 27 Cb 0.10 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 40.96 3muh n ASN 27 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3muh n ASP 27 N -1.11 0.00 -0.25 1.20 5.68 -0.52 -2.73 116.55 118.82 3muh n ASP 27 Ca 0.15 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.42 3muh n ASP 27 Cb 0.26 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.41 3muh n ASP 27 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3muh h VAL 27 N 0.00 1.23 -0.56 2.12 2.07 -1.77 -2.53 116.25 116.81 3muh h VAL 27 Ca 0.00 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3muh h VAL 27 Cb 0.00 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3muh h VAL 27 CO 0.00 0.25 -0.08 1.23 0.02 0.00 0.00 177.57 178.99 3muh h GLY 28 N 1.12 1.12 -0.80 2.17 0.00 -1.14 -3.34 103.07 102.20 3muh h GLY 28 Ca 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3muh h GLY 28 CO -0.05 0.81 0.00 0.61 0.00 0.00 0.00 176.54 177.91 3muh n GLY 29 N -0.32 -0.44 3.09 4.60 0.00 -0.91 -4.89 105.19 106.33 3muh n GLY 29 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 3muh n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3muh s TYR 30 N -0.83 0.90 -0.56 1.61 2.02 -0.96 -5.03 117.35 114.51 3muh s TYR 30 Ca 0.12 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3muh s TYR 30 Cb 0.08 -0.53 0.39 0.00 -0.40 0.00 0.00 41.96 41.50 3muh s TYR 30 CO 0.12 -0.01 2.02 0.39 -1.57 0.00 0.00 175.55 176.50 3muh n GLU 31 N 1.72 2.41 -0.28 -0.62 -0.58 -1.26 -4.60 120.64 117.42 3muh n GLU 31 Ca -0.20 -2.77 0.08 0.00 -0.42 0.00 0.00 57.16 53.85 3muh n GLU 31 Cb 0.55 -2.09 0.16 0.00 -0.57 0.00 0.00 31.44 29.50 3muh n GLU 31 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3muh n SER 32 N -0.57 2.09 -4.71 1.62 7.64 -1.26 -4.16 113.62 114.26 3muh n SER 32 Ca 0.53 -3.38 -0.42 0.00 1.01 0.00 0.00 58.87 56.61 3muh n SER 32 Cb 0.69 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3muh n SER 32 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3muh s VAL 33 N -2.98 4.15 0.10 0.44 0.11 -1.26 -3.76 120.40 117.21 3muh s VAL 33 Ca 0.34 1.54 0.07 0.00 -2.93 0.00 0.00 61.98 61.01 3muh s VAL 33 Cb 0.31 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 3muh s VAL 33 CO -0.01 0.11 -0.19 -0.94 -3.33 0.00 0.00 175.10 170.74 3muh s SER 34 N 1.09 2.33 -0.06 3.54 1.04 0.23 -0.37 113.70 121.50 3muh s SER 34 Ca 0.58 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 56.37 3muh s SER 34 Cb -0.28 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 3muh s SER 34 CO 0.28 0.01 -0.25 0.26 0.98 0.00 0.00 173.24 174.52 3muh s TRP 35 N -1.33 2.45 0.24 5.02 0.52 0.63 -0.18 118.94 126.28 3muh s TRP 35 Ca 0.06 -0.75 0.11 0.00 0.02 0.00 0.00 56.10 55.54 3muh s TRP 35 Cb -0.09 -1.61 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 3muh s TRP 35 CO 0.04 -0.23 -0.17 0.71 0.02 0.00 0.00 176.95 177.32 3muh s TYR 36 N -0.13 2.40 -0.07 -1.98 2.02 0.12 -1.14 117.35 118.57 3muh s TYR 36 Ca -0.05 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3muh s TYR 36 Cb -0.14 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3muh s TYR 36 CO 0.04 0.61 -0.12 1.14 -1.57 0.00 0.00 175.55 175.65 3muh s GLN 37 N -3.18 1.71 -0.27 -0.62 -2.07 -0.73 -2.16 119.66 112.34 3muh s GLN 37 Ca 0.27 -0.40 -0.09 0.00 -1.82 0.00 0.00 55.36 53.32 3muh s GLN 37 Cb -0.07 -1.45 -0.03 0.00 -1.09 0.00 0.00 33.01 30.38 3muh s GLN 37 CO 0.14 -0.01 0.11 -0.65 -1.32 0.00 0.00 175.29 173.57 3muh s GLN 38 N 0.78 3.62 -0.07 9.60 -1.52 0.99 -2.76 119.66 130.30 3muh s GLN 38 Ca -0.12 -0.51 -0.04 0.00 -1.95 0.00 0.00 55.36 52.73 3muh s GLN 38 Cb -0.15 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.15 3muh s GLN 38 CO 0.02 -0.25 0.11 -1.01 -0.25 0.00 0.00 175.29 173.91 3muh s HIS 39 N 1.64 3.45 0.00 0.91 3.76 -1.26 -1.90 115.29 121.89 3muh s HIS 39 Ca 0.06 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3muh s HIS 39 Cb -0.16 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3muh s HIS 39 CO 0.06 0.64 0.72 -2.30 -0.85 0.00 0.00 174.74 173.00 3muh n PRO 40 N 1.69 0.00 -0.86 8.40 -0.02 -1.26 -1.55 135.00 141.40 3muh n PRO 40 Ca -0.17 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 61.85 3muh n PRO 40 Cb 0.54 -1.08 0.07 0.00 -0.02 0.00 0.00 33.50 33.02 3muh n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3muh n GLY 41 N -1.00 4.00 3.50 -1.23 0.00 -1.26 -4.91 105.19 104.28 3muh n GLY 41 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 3muh n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3muh s LYS 42 N -2.09 1.72 -0.07 1.61 3.01 -0.59 -5.01 119.74 118.31 3muh s LYS 42 Ca 0.36 -1.86 -0.08 0.00 -1.01 0.00 0.00 55.97 53.38 3muh s LYS 42 Cb 0.29 -1.59 -0.04 0.00 -1.01 0.00 0.00 37.83 35.47 3muh s LYS 42 CO 0.03 0.17 0.21 0.00 0.51 0.00 0.00 175.35 176.27 3muh s ALA 43 N -2.68 3.84 0.48 5.17 0.00 -1.26 -4.66 121.76 122.66 3muh s ALA 43 Ca 0.31 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 3muh s ALA 43 Cb 0.01 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.96 3muh s ALA 43 CO 0.15 0.60 0.61 -2.30 0.00 0.00 0.00 175.76 174.82 3muh n PRO 44 N 1.78 0.67 -4.44 0.00 -0.02 -1.26 -4.85 135.00 126.87 3muh n PRO 44 Ca -0.17 0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.30 3muh n PRO 44 Cb 0.54 -1.67 -0.17 0.00 -0.02 0.00 0.00 33.50 32.18 3muh n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3muh s LYS 45 N -1.86 1.84 -0.11 -0.52 2.20 -1.11 -4.91 119.74 115.26 3muh s LYS 45 Ca 0.66 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 55.54 3muh s LYS 45 Cb -0.53 -1.59 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 3muh s LYS 45 CO 0.56 -0.05 1.38 0.08 -0.36 0.00 0.00 175.35 176.96 3muh s VAL 46 N 0.93 4.04 -0.16 4.02 1.01 -1.26 -1.77 120.40 127.21 3muh s VAL 46 Ca -0.09 1.28 0.12 0.00 0.00 0.00 0.00 61.98 63.29 3muh s VAL 46 Cb -0.15 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 3muh s VAL 46 CO 0.00 -0.10 0.03 1.33 0.00 0.00 0.00 175.10 176.36 3muh n VAL 47 N 5.29 1.06 -3.78 2.92 0.24 -0.29 -4.72 118.33 119.04 3muh n VAL 47 Ca 0.15 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.68 3muh n VAL 47 Cb 0.44 -0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 32.00 3muh n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3muh s ILE 48 N -2.37 -0.05 0.13 1.34 -1.09 -1.20 -4.20 121.20 113.76 3muh s ILE 48 Ca -0.10 0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 3muh s ILE 48 Cb 0.05 -0.12 -0.04 0.00 -1.58 0.00 0.00 42.46 40.77 3muh s ILE 48 CO 0.61 0.07 -0.12 -0.72 -1.23 0.00 0.00 174.94 173.54 3muh s TYR 49 N 0.91 1.31 -1.51 3.97 -0.85 -0.16 -0.27 117.35 120.75 3muh s TYR 49 Ca -0.07 -0.62 -0.05 0.00 -0.52 0.00 0.00 57.07 55.80 3muh s TYR 49 Cb -0.10 -0.68 0.04 0.00 0.38 0.00 0.00 41.96 41.60 3muh s TYR 49 CO -0.03 0.11 0.44 -0.25 -1.52 0.00 0.00 175.55 174.29 3muh n ASP 50 N 0.32 -0.82 0.00 -0.18 8.00 -1.07 -1.55 116.55 121.24 3muh n ASP 50 Ca -0.14 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3muh n ASP 50 Cb 0.58 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 3muh n ASP 50 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3muh n VAL 51 N -4.42 0.00 -1.02 2.53 0.31 0.51 -4.33 118.33 111.90 3muh n VAL 51 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3muh n VAL 51 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 3muh n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3muh n SER 52 N 3.48 0.20 -4.69 4.52 3.41 -1.20 -2.67 113.62 116.66 3muh n SER 52 Ca 0.00 -1.22 -0.37 0.00 -0.26 0.00 0.00 58.87 57.02 3muh n SER 52 Cb 0.00 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 3muh n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3muh s LYS 53 N -0.12 4.20 -0.18 4.33 1.02 -0.60 -4.41 119.74 123.98 3muh s LYS 53 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 3muh s LYS 53 Cb 0.00 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3muh s LYS 53 CO 0.00 0.08 0.17 -0.98 -0.92 0.00 0.00 175.35 173.70 3muh s ARG 54 N 0.95 4.16 0.98 1.68 1.70 -1.26 -0.99 118.95 126.17 3muh s ARG 54 Ca 0.17 -0.13 -0.12 0.00 -0.47 0.00 0.00 55.73 55.17 3muh s ARG 54 Cb -0.14 -3.40 0.18 0.00 -0.57 0.00 0.00 34.95 31.02 3muh s ARG 54 CO 0.06 0.32 1.11 -2.14 -1.08 0.00 0.00 175.30 173.57 3muh s PRO 55 N 0.29 0.54 0.55 3.89 0.02 -1.26 -4.98 135.00 134.05 3muh s PRO 55 Ca 0.11 0.42 -0.22 0.00 0.02 0.00 0.00 61.00 61.33 3muh s PRO 55 Cb -0.12 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 3muh s PRO 55 CO -0.00 -2.63 1.37 -1.13 -0.33 0.00 0.00 177.00 174.27 3muh n SER 56 N -4.09 2.71 0.00 2.53 3.41 -1.26 -3.12 113.62 113.80 3muh n SER 56 Ca 0.05 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 3muh n SER 56 Cb 0.58 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3muh n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3muh n GLY 57 N 0.75 0.80 3.70 5.00 0.00 -1.26 -4.99 105.19 109.19 3muh n GLY 57 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3muh n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3muh s VAL 58 N -3.24 5.27 0.46 1.61 1.01 -1.18 -5.05 120.40 119.27 3muh s VAL 58 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3muh s VAL 58 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3muh s VAL 58 CO 0.00 0.33 1.07 -0.24 0.00 0.00 0.00 175.10 176.26 3muh n SER 59 N 4.00 1.52 0.00 3.32 2.88 -1.26 -4.90 113.62 119.17 3muh n SER 59 Ca -0.11 1.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.52 3muh n SER 59 Cb 0.52 -1.40 0.49 0.00 -0.75 0.00 0.00 64.21 63.06 3muh n SER 59 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3muh n ASN 60 N 0.12 0.00 -0.01 -3.46 2.04 -1.26 -2.60 115.26 110.09 3muh n ASN 60 Ca 0.10 -0.75 0.14 0.00 -0.44 0.00 0.00 54.58 53.63 3muh n ASN 60 Cb 0.41 0.00 0.68 0.00 -2.53 0.00 0.00 39.78 38.34 3muh n ASN 60 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3muh n ARG 61 N -0.91 0.31 -3.87 -3.83 1.74 -1.26 -4.74 116.66 104.11 3muh n ARG 61 Ca 0.12 -0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 3muh n ARG 61 Cb 0.06 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 3muh n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3muh s PHE 62 N -2.71 3.44 0.04 -1.55 0.08 -1.07 -0.20 117.98 116.01 3muh s PHE 62 Ca 0.23 0.36 -0.01 0.00 0.12 0.00 0.00 56.93 57.63 3muh s PHE 62 Cb 0.20 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 3muh s PHE 62 CO 0.49 0.46 -0.01 -1.54 -0.10 0.00 0.00 175.22 174.52 3muh s SER 63 N -0.26 0.34 0.17 1.36 1.04 -0.72 -4.96 113.70 110.67 3muh s SER 63 Ca 0.10 -0.73 0.10 0.00 0.48 0.00 0.00 55.95 55.90 3muh s SER 63 Cb -0.12 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3muh s SER 63 CO 0.01 -0.47 -0.21 -0.83 0.98 0.00 0.00 173.24 172.72 3muh s GLY 64 N -2.22 1.50 0.15 7.32 0.00 -1.26 -0.97 107.32 111.84 3muh s GLY 64 Ca -0.04 -1.52 -0.24 0.00 0.00 0.00 0.00 44.72 42.92 3muh s GLY 64 CO -0.06 -1.56 0.66 -0.45 0.00 0.00 0.00 173.10 171.70 3muh s SER 65 N -2.58 -0.50 -0.18 1.64 0.15 -0.62 -4.50 113.70 107.11 3muh s SER 65 Ca 0.17 -0.07 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 3muh s SER 65 Cb -0.07 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 3muh s SER 65 CO 0.08 -0.95 0.47 -1.59 1.20 0.00 0.00 173.24 172.45 3muh s LYS 66 N -3.66 0.55 -0.08 5.44 -2.85 -1.26 -0.09 119.74 117.78 3muh s LYS 66 Ca 0.03 0.68 -0.04 0.00 -1.00 0.00 0.00 55.97 55.64 3muh s LYS 66 Cb -0.01 0.25 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3muh s LYS 66 CO -0.10 -0.07 0.19 0.45 0.10 0.00 0.00 175.35 175.92 3muh s SER 67 N 0.34 -0.09 1.54 0.03 0.15 -0.42 -5.01 113.70 110.23 3muh s SER 67 Ca -0.01 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3muh s SER 67 Cb -0.04 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3muh s SER 67 CO -0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3muh n GLY 68 N 4.34 3.78 1.20 9.45 0.00 -1.26 -0.59 105.19 122.10 3muh n GLY 68 Ca -0.24 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3muh n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3muh n ASN 69 N 6.69 3.56 -4.40 1.61 3.02 -1.26 -3.92 115.26 120.56 3muh n ASN 69 Ca 0.00 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 3muh n ASN 69 Cb 0.00 -0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 3muh n ASN 69 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3muh s THR 70 N -1.41 4.12 0.16 3.41 2.01 0.24 -0.04 115.64 124.14 3muh s THR 70 Ca 0.41 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 3muh s THR 70 Cb 0.23 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 3muh s THR 70 CO 0.32 0.26 0.40 0.00 -0.69 0.00 0.00 174.62 174.91 3muh s ALA 71 N 1.57 3.76 -0.03 7.40 0.00 -0.02 -1.30 121.76 133.14 3muh s ALA 71 Ca 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 3muh s ALA 71 Cb -0.16 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.83 3muh s ALA 71 CO 0.03 0.63 0.06 -1.12 0.00 0.00 0.00 175.76 175.35 3muh s SER 72 N -2.49 0.11 -0.23 0.00 0.01 0.87 -0.89 113.70 111.09 3muh s SER 72 Ca 0.42 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 3muh s SER 72 Cb -0.12 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 3muh s SER 72 CO 0.25 -0.14 0.12 -0.22 0.41 0.00 0.00 173.24 173.65 3muh s LEU 73 N 1.19 3.90 -0.32 2.44 2.96 -0.66 -1.58 118.68 126.60 3muh s LEU 73 Ca -0.08 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3muh s LEU 73 Cb -0.13 -2.04 0.08 0.00 0.50 0.00 0.00 46.19 44.61 3muh s LEU 73 CO -0.04 0.06 0.02 -0.89 -1.32 0.00 0.00 176.35 174.19 3muh s THR 74 N 1.08 2.52 -0.40 3.68 2.01 -0.15 -1.75 115.64 122.62 3muh s THR 74 Ca 0.06 -1.97 -0.19 0.00 0.31 0.00 0.00 61.69 59.90 3muh s THR 74 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.71 3muh s THR 74 CO 0.04 -0.39 0.57 -0.63 -0.69 0.00 0.00 174.62 173.52 3muh s ILE 75 N 1.05 4.93 0.47 1.82 1.01 -0.92 -1.76 121.20 127.79 3muh s ILE 75 Ca 0.03 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.87 3muh s ILE 75 Cb -0.20 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3muh s ILE 75 CO -0.06 -0.44 0.65 -0.94 0.00 0.00 0.00 174.94 174.15 3muh s SER 76 N 1.88 5.49 -1.48 3.58 1.04 0.72 -0.65 113.70 124.28 3muh s SER 76 Ca 0.20 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 3muh s SER 76 Cb -0.15 -0.59 0.04 0.00 0.10 0.00 0.00 66.02 65.42 3muh s SER 76 CO 0.16 -0.93 0.50 0.61 0.98 0.00 0.00 173.24 174.56 3muh n GLY 77 N -2.02 -0.28 3.48 7.32 0.00 -1.06 -4.81 105.19 107.83 3muh n GLY 77 Ca 0.09 0.15 -0.55 0.00 0.00 0.00 0.00 46.02 45.71 3muh n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3muh n LEU 78 N -4.42 -0.24 -4.40 0.99 4.77 -0.77 -4.58 117.00 108.36 3muh n LEU 78 Ca -0.22 1.15 -0.20 0.00 -0.03 0.00 0.00 56.01 56.72 3muh n LEU 78 Cb 0.64 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 3muh n LEU 78 CO 0.78 -2.17 -0.26 -1.10 -1.33 0.00 0.00 177.39 173.30 3muh s GLN 79 N -0.32 1.57 0.17 3.23 -0.21 -1.26 -1.66 119.66 121.18 3muh s GLN 79 Ca 0.81 -1.87 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 3muh s GLN 79 Cb -1.13 -0.65 0.07 0.00 1.00 0.00 0.00 33.01 32.30 3muh s GLN 79 CO 0.56 -0.23 1.79 0.00 -2.12 0.00 0.00 175.29 175.29 3muh h ALA 80 N 2.20 0.73 0.00 6.09 0.00 -2.01 -2.78 119.26 123.49 3muh h ALA 80 Ca -0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3muh h ALA 80 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3muh h ALA 80 CO 0.66 0.24 0.04 1.05 0.00 0.00 0.00 179.25 181.24 3muh h GLU 81 N 0.76 0.00 0.00 0.00 9.09 -1.96 -2.31 114.58 120.16 3muh h GLU 81 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 3muh h GLU 81 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3muh h GLU 81 CO -0.03 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.59 3muh h ASP 82 N 0.00 0.00 -2.46 3.06 3.45 -1.91 -3.43 116.42 115.13 3muh h ASP 82 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 3muh h ASP 82 Cb 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3muh h ASP 82 CO 0.00 0.00 1.31 -0.70 -1.57 0.00 0.00 179.24 178.28 3muh s GLU 83 N -3.43 3.42 0.00 3.56 2.12 -0.87 -4.86 118.70 118.63 3muh s GLU 83 Ca 0.03 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.11 3muh s GLU 83 Cb 0.09 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.26 3muh s GLU 83 CO 0.46 -1.76 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 3muh n GLY 84 N 5.32 1.20 3.52 -1.50 0.00 -0.74 -4.93 105.19 108.06 3muh n GLY 84 Ca 0.24 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3muh n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3muh s ASP 85 N -0.80 5.22 -0.07 1.61 1.01 -0.80 -0.29 116.67 122.55 3muh s ASP 85 Ca 0.00 -0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.20 3muh s ASP 85 Cb 0.00 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 3muh s ASP 85 CO 0.00 0.09 -0.14 -0.31 0.21 0.00 0.00 175.17 175.03 3muh s TYR 86 N 0.85 2.74 -0.01 4.23 2.02 0.63 -0.01 117.35 127.82 3muh s TYR 86 Ca 0.02 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 3muh s TYR 86 Cb -0.14 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3muh s TYR 86 CO 0.02 0.09 -0.04 0.71 -1.57 0.00 0.00 175.55 174.76 3muh s TYR 87 N -0.45 0.38 -0.01 2.71 2.02 -0.92 -0.75 117.35 120.34 3muh s TYR 87 Ca 0.06 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3muh s TYR 87 Cb -0.12 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 3muh s TYR 87 CO 0.02 -0.02 0.08 0.00 -1.57 0.00 0.00 175.55 174.06 3muh s LYS 89 N -1.70 0.92 0.01 0.00 2.20 0.75 -0.71 119.74 121.22 3muh s LYS 89 Ca 0.22 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 3muh s LYS 89 Cb -0.12 -0.90 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 3muh s LYS 89 CO 0.13 0.23 -0.04 0.45 -0.36 0.00 0.00 175.35 175.77 3muh s SER 90 N -0.79 0.40 0.12 1.43 0.15 -1.12 0.77 113.70 114.66 3muh s SER 90 Ca 0.02 -0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.21 3muh s SER 90 Cb -0.07 0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.18 3muh s SER 90 CO 0.00 -0.09 0.67 -0.76 1.20 0.00 0.00 173.24 174.26 3muh s LEU 91 N -0.68 4.54 0.00 3.45 1.43 -1.25 -2.23 118.68 123.95 3muh s LEU 91 Ca -0.05 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3muh s LEU 91 Cb -0.05 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.06 3muh s LEU 91 CO -0.00 0.23 0.00 0.35 0.23 0.00 0.00 176.35 177.16 3muh n THR 92 N 1.59 0.00 0.22 5.49 -2.24 -1.05 -4.70 114.28 113.59 3muh n THR 92 Ca -0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3muh n THR 92 Cb 0.50 -1.18 0.51 0.00 -2.10 0.00 0.00 70.33 68.06 3muh n THR 92 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3muh h SER 93 N 0.00 0.00 0.00 3.42 4.64 -1.89 -3.48 113.55 116.24 3muh h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3muh h SER 93 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3muh h SER 93 CO 0.00 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 176.56 3muh n THR 94 N -3.67 0.00 -0.66 2.95 -2.24 -1.26 -5.20 114.28 104.20 3muh n THR 94 Ca -0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 3muh n THR 94 Cb 0.37 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3muh n THR 94 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3muh n ARG 95 N 0.00 -0.55 -4.18 -0.78 1.85 -1.26 -5.11 116.66 106.64 3muh n ARG 95 Ca 0.00 0.44 -0.16 0.00 -1.00 0.00 0.00 57.85 57.13 3muh n ARG 95 Cb 0.00 -1.06 -0.12 0.00 -1.05 0.00 0.00 32.46 30.22 3muh n ARG 95 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3muh s ARG 96 N -4.46 0.69 0.11 2.89 0.52 -1.26 -2.54 118.95 114.89 3muh s ARG 96 Ca 0.00 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3muh s ARG 96 Cb 0.00 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.83 3muh s ARG 96 CO 0.00 0.14 -0.02 0.14 0.02 0.00 0.00 175.30 175.57 3muh s VAL 97 N -1.05 3.79 0.04 3.52 -7.23 -0.95 -5.00 120.40 113.53 3muh s VAL 97 Ca -0.04 -1.16 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 3muh s VAL 97 Cb -0.08 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 3muh s VAL 97 CO 0.01 0.06 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.32 3muh s PHE 98 N -1.39 1.61 0.35 2.82 0.40 -1.26 -2.77 117.98 117.73 3muh s PHE 98 Ca 0.25 -0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 55.96 3muh s PHE 98 Cb -0.11 -0.96 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 3muh s PHE 98 CO 0.17 0.07 1.00 0.20 0.70 0.00 0.00 175.22 177.37 3muh s GLY 99 N -1.17 2.81 0.53 4.36 0.00 0.11 -0.97 107.32 112.99 3muh s GLY 99 Ca 0.05 0.63 0.24 0.00 0.00 0.00 0.00 44.72 45.65 3muh s GLY 99 CO 0.02 1.09 2.02 -0.91 0.00 0.00 0.00 173.10 175.32 3muh h THR 100 N 2.51 0.74 0.00 0.90 1.35 -1.73 -3.43 112.91 113.24 3muh h THR 100 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3muh h THR 100 Cb 1.20 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3muh h THR 100 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 3muh n GLY 101 N -1.61 2.38 2.73 5.82 0.00 -1.26 -5.02 105.19 108.22 3muh n GLY 101 Ca 0.07 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 3muh n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3muh s THR 102 N -2.64 -0.02 -0.77 2.61 2.01 0.07 -4.38 115.64 112.52 3muh s THR 102 Ca 0.00 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 3muh s THR 102 Cb 0.00 -0.18 0.09 0.00 0.01 0.00 0.00 72.50 72.42 3muh s THR 102 CO 0.00 0.16 1.06 -1.59 -0.69 0.00 0.00 174.62 173.55 3muh s LYS 103 N 1.70 3.30 -0.30 4.92 0.00 -0.49 -0.27 119.74 128.60 3muh s LYS 103 Ca -0.01 -1.13 -0.25 0.00 0.00 0.00 0.00 55.97 54.58 3muh s LYS 103 Cb -0.12 -4.52 0.00 0.00 0.00 0.00 0.00 37.83 33.19 3muh s LYS 103 CO -0.03 -1.84 0.84 -1.17 0.00 0.00 0.00 175.35 173.15 3muh s LEU 104 N 3.73 4.06 -0.16 2.77 2.96 0.60 -2.94 118.68 129.71 3muh s LEU 104 Ca 0.27 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.95 3muh s LEU 104 Cb -0.12 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 3muh s LEU 104 CO 0.03 -0.64 -0.05 0.28 -1.32 0.00 0.00 176.35 174.64 3muh s THR 105 N 3.05 3.71 0.51 3.68 -1.32 -0.40 -1.80 115.64 123.07 3muh s THR 105 Ca 0.35 -0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.37 3muh s THR 105 Cb -0.14 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.22 3muh s THR 105 CO 0.12 0.49 0.79 -0.69 -2.21 0.00 0.00 174.62 173.12 3muh s VAL 106 N 0.44 4.12 0.00 5.08 1.01 -1.26 -0.96 120.40 128.83 3muh s VAL 106 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3muh s VAL 106 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3muh s VAL 106 CO 0.03 -0.52 0.26 0.18 0.00 0.00 0.00 175.10 175.06 3muh n LEU 106 N -2.32 0.53 -0.09 3.92 4.77 -0.69 -4.73 117.00 118.39 3muh n LEU 106 Ca 0.02 -0.67 -0.07 0.00 -0.03 0.00 0.00 56.01 55.26 3muh n LEU 106 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3muh n LEU 106 CO 0.51 0.13 0.91 1.23 -1.33 0.00 0.00 177.39 178.85 3muh h GLY 107 N 0.00 0.38 -5.65 -0.72 0.00 -1.96 -3.47 103.07 91.66 3muh h GLY 107 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3muh h GLY 107 CO 0.00 0.01 -0.23 -1.06 0.00 0.00 0.00 176.54 175.26 3muh n GLN 108 N -5.06 -0.40 -2.37 4.80 6.02 -1.26 -4.94 117.38 114.17 3muh n GLN 108 Ca 0.00 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.67 3muh n GLN 108 Cb 0.13 -0.35 -0.03 0.00 1.02 0.00 0.00 30.24 31.00 3muh n GLN 108 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3muh s PRO 109 N -3.03 4.31 0.50 -1.09 0.02 -1.26 -4.97 135.00 129.49 3muh s PRO 109 Ca 0.01 1.83 -0.23 0.00 0.02 0.00 0.00 61.00 62.63 3muh s PRO 109 Cb -0.01 -2.89 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 3muh s PRO 109 CO 0.19 -0.09 1.39 0.21 -0.33 0.00 0.00 177.00 178.36 3muh s LYS 110 N -1.97 3.40 -0.27 5.54 2.20 -1.26 -4.80 119.74 122.58 3muh s LYS 110 Ca 0.52 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 3muh s LYS 110 Cb -0.31 -2.44 0.15 0.00 -1.51 0.00 0.00 37.83 33.71 3muh s LYS 110 CO 0.40 -1.01 0.37 0.00 -0.36 0.00 0.00 175.35 174.75 3muh s ALA 111 N -1.26 -0.99 0.43 3.13 0.00 -0.72 -4.92 121.76 117.42 3muh s ALA 111 Ca 0.67 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 3muh s ALA 111 Cb -0.42 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.73 3muh s ALA 111 CO 0.52 -1.60 1.16 0.00 0.00 0.00 0.00 175.76 175.84 3muh s ALA 112 N 2.50 3.06 0.64 0.00 0.00 -1.26 -0.56 121.76 126.14 3muh s ALA 112 Ca 0.10 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 3muh s ALA 112 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3muh s ALA 112 CO -0.26 -0.58 1.17 -1.25 0.00 0.00 0.00 175.76 174.84 3muh s PRO 113 N -2.52 2.74 -0.34 0.00 0.04 -1.26 -4.62 135.00 129.04 3muh s PRO 113 Ca 0.60 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 3muh s PRO 113 Cb -0.29 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3muh s PRO 113 CO 0.36 -1.35 0.16 -1.54 0.04 0.00 0.00 177.00 174.66 3muh s SER 114 N -2.02 5.52 -0.10 6.66 1.04 -0.56 -4.91 113.70 119.34 3muh s SER 114 Ca 0.73 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 3muh s SER 114 Cb -0.26 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 3muh s SER 114 CO 0.38 -0.29 0.34 -0.69 0.98 0.00 0.00 173.24 173.96 3muh s VAL 115 N 1.54 5.22 -0.15 5.02 1.01 -1.26 -2.24 120.40 129.54 3muh s VAL 115 Ca 0.02 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3muh s VAL 115 Cb -0.18 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.58 3muh s VAL 115 CO 0.05 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 3muh s THR 116 N -0.18 1.03 -0.26 3.92 2.01 -1.16 -4.90 115.64 116.10 3muh s THR 116 Ca 0.20 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 3muh s THR 116 Cb -0.14 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 3muh s THR 116 CO 0.08 0.19 0.05 -0.22 -0.69 0.00 0.00 174.62 174.03 3muh s LEU 117 N 1.68 3.45 -0.21 4.42 2.96 -1.26 -0.56 118.68 129.16 3muh s LEU 117 Ca 0.02 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 3muh s LEU 117 Cb -0.14 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3muh s LEU 117 CO -0.08 -0.08 0.13 -0.36 -1.32 0.00 0.00 176.35 174.65 3muh s PHE 118 N 1.55 3.39 0.74 5.38 0.40 0.14 -4.88 117.98 124.71 3muh s PHE 118 Ca 0.05 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.58 3muh s PHE 118 Cb -0.16 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.23 3muh s PHE 118 CO 0.02 0.26 1.12 -1.25 0.70 0.00 0.00 175.22 176.06 3muh s PRO 119 N 0.46 2.58 0.24 0.24 0.04 -1.26 -1.94 135.00 135.36 3muh s PRO 119 Ca 0.08 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 3muh s PRO 119 Cb -0.11 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3muh s PRO 119 CO -0.01 -1.21 1.23 -2.14 0.04 0.00 0.00 177.00 174.91 3muh s PRO 120 N -5.41 4.46 0.48 0.56 0.02 -1.25 -4.79 135.00 129.07 3muh s PRO 120 Ca 0.59 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 63.37 3muh s PRO 120 Cb -0.11 -3.18 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 3muh s PRO 120 CO 0.51 -0.09 1.22 -1.54 -0.33 0.00 0.00 177.00 176.78 3muh s SER 121 N -0.18 5.95 0.57 2.53 1.04 -1.26 -4.88 113.70 117.46 3muh s SER 121 Ca 0.51 2.45 0.26 0.00 0.48 0.00 0.00 55.95 59.65 3muh s SER 121 Cb -0.35 -2.61 1.58 0.00 0.10 0.00 0.00 66.02 64.74 3muh s SER 121 CO 0.42 -1.08 2.14 0.77 0.98 0.00 0.00 173.24 176.47 3muh h SER 122 N 1.94 0.00 -0.07 7.02 4.64 -1.99 -0.62 113.55 124.48 3muh h SER 122 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3muh h SER 122 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3muh h SER 122 CO 0.60 0.00 0.01 -0.33 -0.87 0.00 0.00 176.83 176.23 3muh h GLU 123 N 0.00 0.12 0.00 4.77 3.07 -2.00 -2.91 114.58 117.63 3muh h GLU 123 Ca 0.07 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3muh h GLU 123 Cb 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3muh h GLU 123 CO -0.00 0.35 -0.42 1.49 -1.40 0.00 0.00 179.01 179.03 3muh h GLU 124 N -0.14 0.00 -0.26 2.33 4.81 -1.58 -3.25 114.58 116.49 3muh h GLU 124 Ca 0.02 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3muh h GLU 124 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3muh h GLU 124 CO 0.00 0.42 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.28 3muh h LEU 125 N 0.00 0.61 -0.58 1.64 3.38 -1.03 -2.70 115.31 116.63 3muh h LEU 125 Ca -0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 3muh h LEU 125 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3muh h LEU 125 CO 0.05 0.92 -0.55 0.06 0.09 0.00 0.00 178.44 179.01 3muh h GLN 126 N 0.49 0.00 0.00 1.13 3.07 -1.56 -2.89 115.11 115.36 3muh h GLN 126 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 3muh h GLN 126 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 3muh h GLN 126 CO 0.07 0.55 0.00 0.00 0.09 0.00 0.00 178.83 179.54 3muh n ALA 127 N -2.32 2.00 -2.26 0.06 0.00 -1.03 -4.88 120.51 112.08 3muh n ALA 127 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 3muh n ALA 127 Cb 0.64 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3muh n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3muh n ASN 128 N -1.13 -2.73 -4.16 0.00 2.85 -1.09 -5.07 115.26 103.93 3muh n ASN 128 Ca 0.10 -0.04 -0.13 0.00 -0.11 0.00 0.00 54.58 54.41 3muh n ASN 128 Cb 0.09 -1.93 -0.11 0.00 1.24 0.00 0.00 39.78 39.07 3muh n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3muh s LYS 129 N -4.54 0.80 -0.40 1.20 1.02 -1.14 -4.53 119.74 112.15 3muh s LYS 129 Ca 0.03 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 54.89 3muh s LYS 129 Cb -0.02 -0.38 0.16 0.00 -0.52 0.00 0.00 37.83 37.08 3muh s LYS 129 CO 0.04 0.04 0.36 0.00 -0.92 0.00 0.00 175.35 174.87 3muh s ALA 130 N -2.73 0.62 -0.27 5.17 0.00 -0.48 -3.83 121.76 120.23 3muh s ALA 130 Ca 0.06 -1.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.05 3muh s ALA 130 Cb -0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3muh s ALA 130 CO -0.02 -2.06 0.14 0.99 0.00 0.00 0.00 175.76 174.82 3muh s THR 131 N 0.58 4.86 -0.16 0.00 2.01 -1.26 -0.41 115.64 121.25 3muh s THR 131 Ca 0.27 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 3muh s THR 131 Cb -0.05 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3muh s THR 131 CO -0.11 0.26 0.59 -0.76 -0.69 0.00 0.00 174.62 173.91 3muh s LEU 132 N 1.69 4.20 -0.24 4.42 1.02 -0.59 -3.87 118.68 125.30 3muh s LEU 132 Ca 0.07 0.86 -0.06 0.00 0.02 0.00 0.00 54.13 55.02 3muh s LEU 132 Cb -0.16 -2.85 -0.02 0.00 0.02 0.00 0.00 46.19 43.18 3muh s LEU 132 CO 0.08 -0.18 0.03 -0.69 0.02 0.00 0.00 176.35 175.60 3muh s VAL 133 N 1.46 3.93 -0.44 -1.59 1.01 -0.82 -2.06 120.40 121.88 3muh s VAL 133 Ca 0.29 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3muh s VAL 133 Cb -0.16 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.50 3muh s VAL 133 CO 0.11 0.36 0.29 0.00 0.00 0.00 0.00 175.10 175.87 3muh s LEU 135 N 1.32 5.18 -0.51 0.00 1.43 0.27 -1.32 118.68 125.05 3muh s LEU 135 Ca 0.06 -1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 51.41 3muh s LEU 135 Cb -0.25 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.67 3muh s LEU 135 CO -0.01 -1.16 1.00 -0.63 0.23 0.00 0.00 176.35 175.78 3muh s ILE 136 N 2.88 4.34 0.29 -0.59 1.01 -0.58 -3.00 121.20 125.55 3muh s ILE 136 Ca 0.17 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.57 3muh s ILE 136 Cb -0.19 -4.54 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 3muh s ILE 136 CO 0.04 -1.03 -0.04 -0.94 0.00 0.00 0.00 174.94 172.96 3muh s SER 137 N 2.59 2.74 -1.32 3.58 1.04 -0.95 -0.14 113.70 121.25 3muh s SER 137 Ca 0.37 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 3muh s SER 137 Cb -0.10 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3muh s SER 137 CO 0.25 -0.37 0.62 0.47 0.98 0.00 0.00 173.24 175.18 3muh n ASP 138 N -0.60 -1.33 -4.52 7.02 8.00 -0.85 -1.49 116.55 122.78 3muh n ASP 138 Ca -0.05 -0.90 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 3muh n ASP 138 Cb 0.64 -3.70 -0.11 0.00 -0.02 0.00 0.00 41.12 37.93 3muh n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3muh s PHE 139 N -3.74 2.67 -0.16 1.24 -0.12 -0.41 -4.42 117.98 113.04 3muh s PHE 139 Ca 0.05 -0.19 -0.10 0.00 -0.05 0.00 0.00 56.93 56.64 3muh s PHE 139 Cb -0.02 -1.48 0.05 0.00 -0.63 0.00 0.00 43.02 40.95 3muh s PHE 139 CO 0.84 0.33 0.39 -0.47 -0.05 0.00 0.00 175.22 176.26 3muh s TYR 140 N -1.02 -0.54 0.92 3.49 5.04 0.28 -0.05 117.35 125.46 3muh s TYR 140 Ca 0.17 1.19 -0.11 0.00 -2.44 0.00 0.00 57.07 55.87 3muh s TYR 140 Cb -0.11 0.22 0.14 0.00 0.35 0.00 0.00 41.96 42.56 3muh s TYR 140 CO 0.08 -0.30 1.09 -1.25 -1.34 0.00 0.00 175.55 173.83 3muh s PRO 141 N 1.09 1.09 -1.12 4.97 0.04 -1.26 -1.76 135.00 138.05 3muh s PRO 141 Ca -0.07 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 3muh s PRO 141 Cb -0.07 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 3muh s PRO 141 CO -0.09 -2.40 2.07 0.41 0.04 0.00 0.00 177.00 177.02 3muh n GLY 142 N -0.70 3.41 3.58 0.56 0.00 -1.26 -4.83 105.19 105.96 3muh n GLY 142 Ca 0.08 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3muh n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3muh s ALA 143 N 4.26 -1.69 0.10 4.61 0.00 -1.26 -4.80 121.76 122.97 3muh s ALA 143 Ca 0.53 1.97 -0.10 0.00 0.00 0.00 0.00 51.96 54.36 3muh s ALA 143 Cb 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3muh s ALA 143 CO 0.02 -0.33 0.23 0.14 0.00 0.00 0.00 175.76 175.82 3muh s VAL 144 N 0.57 0.13 -0.21 0.00 -7.23 -1.26 -4.78 120.40 107.61 3muh s VAL 144 Ca -0.02 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3muh s VAL 144 Cb -0.05 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.60 3muh s VAL 144 CO -0.02 -0.58 -0.16 0.42 -0.31 0.00 0.00 175.10 174.45 3muh s THR 145 N -3.85 2.18 0.61 5.32 -4.23 -0.52 -4.94 115.64 110.20 3muh s THR 145 Ca 0.05 -1.19 -0.07 0.00 -1.18 0.00 0.00 61.69 59.30 3muh s THR 145 Cb 0.04 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.82 3muh s THR 145 CO -0.11 0.31 0.94 -0.69 -0.54 0.00 0.00 174.62 174.53 3muh s VAL 146 N 1.23 3.74 -0.30 2.29 1.01 -1.26 -0.44 120.40 126.67 3muh s VAL 146 Ca -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3muh s VAL 146 Cb -0.16 -3.50 0.18 0.00 0.00 0.00 0.00 36.38 32.90 3muh s VAL 146 CO -0.09 -0.55 0.61 0.00 0.00 0.00 0.00 175.10 175.07 3muh s ALA 147 N -3.06 -2.21 0.26 5.51 0.00 -0.10 -4.91 121.76 117.26 3muh s ALA 147 Ca 0.54 1.95 -0.01 0.00 0.00 0.00 0.00 51.96 54.44 3muh s ALA 147 Cb -0.11 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3muh s ALA 147 CO 0.47 -1.25 0.46 -1.58 0.00 0.00 0.00 175.76 173.86 3muh s TRP 148 N 2.87 3.48 -0.09 0.00 0.52 -1.26 -1.19 118.94 123.27 3muh s TRP 148 Ca 0.15 0.38 -0.07 0.00 0.02 0.00 0.00 56.10 56.58 3muh s TRP 148 Cb -0.14 -1.90 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3muh s TRP 148 CO -0.21 0.27 0.23 0.15 0.02 0.00 0.00 176.95 177.41 3muh s LYS 149 N -3.67 0.25 -1.19 4.98 1.02 -1.00 -2.21 119.74 117.92 3muh s LYS 149 Ca 0.40 0.36 -0.12 0.00 0.02 0.00 0.00 55.97 56.62 3muh s LYS 149 Cb -0.10 0.07 0.20 0.00 -0.52 0.00 0.00 37.83 37.47 3muh s LYS 149 CO 0.31 -0.06 1.36 0.00 -0.92 0.00 0.00 175.35 176.03 3muh s ALA 150 N 0.39 4.21 0.00 5.17 0.00 0.15 -1.49 121.76 130.19 3muh s ALA 150 Ca -0.02 -3.50 0.00 0.00 0.00 0.00 0.00 51.96 48.44 3muh s ALA 150 Cb -0.04 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.10 3muh s ALA 150 CO -0.02 -2.62 0.00 -0.40 0.00 0.00 0.00 175.76 172.72 3muh n ASP 151 N 4.85 0.00 -0.06 0.00 5.68 0.61 -2.63 116.55 124.99 3muh n ASP 151 Ca 0.33 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.54 3muh n ASP 151 Cb 0.42 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 3muh n ASP 151 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3muh n SER 152 N 5.42 2.75 -4.61 -1.12 3.41 -1.26 -4.62 113.62 113.59 3muh n SER 152 Ca 0.00 -0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 3muh n SER 152 Cb 0.00 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3muh n SER 152 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3muh s SER 153 N -5.03 5.74 0.63 4.04 0.01 -1.08 -4.94 113.70 113.07 3muh s SER 153 Ca -0.15 1.87 -0.15 0.00 1.31 0.00 0.00 55.95 58.83 3muh s SER 153 Cb 0.04 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3muh s SER 153 CO 0.36 -1.73 1.08 -2.16 0.41 0.00 0.00 173.24 171.19 3muh s PRO 154 N 5.83 3.08 0.01 12.44 0.04 -1.26 0.29 135.00 155.43 3muh s PRO 154 Ca 0.93 1.27 0.07 0.00 0.04 0.00 0.00 61.00 63.31 3muh s PRO 154 Cb -0.32 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3muh s PRO 154 CO 0.35 -1.01 -0.22 0.08 0.04 0.00 0.00 177.00 176.24 3muh s VAL 155 N -2.44 1.77 0.00 -0.36 1.01 -0.94 -4.76 120.40 114.69 3muh s VAL 155 Ca 0.65 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3muh s VAL 155 Cb -0.18 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3muh s VAL 155 CO 0.40 0.37 0.25 0.29 0.00 0.00 0.00 175.10 176.41 3muh n LYS 156 N 2.17 2.24 -3.99 2.72 5.02 -1.26 -4.33 118.16 120.73 3muh n LYS 156 Ca -0.16 -0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 55.51 3muh n LYS 156 Cb 0.53 -0.73 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 3muh n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3muh s ALA 157 N -0.39 3.69 -0.04 7.82 0.00 -1.26 -4.32 121.76 127.26 3muh s ALA 157 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3muh s ALA 157 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3muh s ALA 157 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3muh n GLY 158 N 2.27 0.47 3.70 0.00 0.00 -1.26 -4.83 105.19 105.53 3muh n GLY 158 Ca -0.19 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3muh n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3muh s VAL 159 N -1.98 5.12 -0.01 1.61 -7.23 -1.26 -0.43 120.40 116.22 3muh s VAL 159 Ca 0.00 1.07 0.04 0.00 -1.81 0.00 0.00 61.98 61.27 3muh s VAL 159 Cb 0.00 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.05 3muh s VAL 159 CO 0.00 0.25 -0.12 -1.83 -0.31 0.00 0.00 175.10 173.09 3muh s GLU 160 N 1.07 0.95 -0.05 4.82 1.03 0.29 -5.01 118.70 121.80 3muh s GLU 160 Ca 0.28 -0.41 -0.01 0.00 0.03 0.00 0.00 54.97 54.86 3muh s GLU 160 Cb -0.16 -0.92 0.03 0.00 -0.80 0.00 0.00 34.13 32.28 3muh s GLU 160 CO 0.11 0.24 0.01 0.99 -1.33 0.00 0.00 175.26 175.29 3muh s THR 161 N -0.25 0.26 1.01 1.83 2.01 -1.26 -0.81 115.64 118.43 3muh s THR 161 Ca 0.04 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 3muh s THR 161 Cb -0.05 -0.41 0.20 0.00 0.01 0.00 0.00 72.50 72.25 3muh s THR 161 CO -0.00 0.22 1.08 0.42 -0.69 0.00 0.00 174.62 175.64 3muh s THR 162 N 1.73 2.22 0.15 -0.82 -4.23 -0.59 -5.02 115.64 109.08 3muh s THR 162 Ca 0.01 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 3muh s THR 162 Cb -0.13 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.23 3muh s THR 162 CO -0.04 -0.09 0.51 0.42 -0.54 0.00 0.00 174.62 174.88 3muh s THR 163 N -2.80 4.94 0.34 3.99 -4.23 -1.26 -4.66 115.64 111.95 3muh s THR 163 Ca 0.66 0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 61.51 3muh s THR 163 Cb -0.20 -3.68 -0.11 0.00 1.34 0.00 0.00 72.50 69.84 3muh s THR 163 CO 0.59 0.18 1.51 -2.65 -0.54 0.00 0.00 174.62 173.72 3muh n PRO 164 N 0.60 2.65 -4.34 3.99 -0.02 -1.26 -4.77 135.00 131.84 3muh n PRO 164 Ca -0.05 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.04 3muh n PRO 164 Cb 0.52 -2.67 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 3muh n PRO 164 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3muh s SER 165 N 0.09 3.23 -0.19 2.55 0.15 -0.22 -4.31 113.70 115.00 3muh s SER 165 Ca 0.57 -0.60 -0.32 0.00 0.70 0.00 0.00 55.95 56.30 3muh s SER 165 Cb -0.49 -1.49 -0.09 0.00 -1.71 0.00 0.00 66.02 62.24 3muh s SER 165 CO 0.58 0.04 2.09 1.17 1.20 0.00 0.00 173.24 178.32 3muh n LYS 166 N 4.38 1.90 -1.78 5.44 4.81 -1.26 -2.20 118.16 129.45 3muh n LYS 166 Ca -0.20 0.60 -0.30 0.00 -0.87 0.00 0.00 58.31 57.54 3muh n LYS 166 Cb 0.51 -2.86 0.20 0.00 0.02 0.00 0.00 35.03 32.90 3muh n LYS 166 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3muh s GLN 167 N 5.48 0.20 0.44 1.64 -1.52 -0.13 -4.91 119.66 120.87 3muh s GLN 167 Ca 1.00 -0.38 0.13 0.00 -1.95 0.00 0.00 55.36 54.15 3muh s GLN 167 Cb -0.58 -1.79 0.97 0.00 -0.22 0.00 0.00 33.01 31.40 3muh s GLN 167 CO 0.44 -2.72 2.00 0.66 -0.25 0.00 0.00 175.29 175.43 3muh h SER 168 N -1.86 0.10 -0.16 5.90 4.64 -1.94 -1.81 113.55 118.42 3muh h SER 168 Ca -0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3muh h SER 168 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3muh h SER 168 CO 0.35 0.22 0.00 -0.46 -0.87 0.00 0.00 176.83 176.07 3muh n ASN 170 N -4.36 1.00 0.00 4.97 6.94 -1.26 -4.91 115.26 117.64 3muh n ASN 170 Ca -0.02 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 3muh n ASN 170 Cb 0.21 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 3muh n ASN 170 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3muh n ASN 171 N -0.01 -1.40 -4.90 0.53 4.13 -0.68 -5.00 115.26 107.93 3muh n ASN 171 Ca 0.09 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.07 3muh n ASN 171 Cb 0.18 -1.55 0.01 0.00 -1.54 0.00 0.00 39.78 36.87 3muh n ASN 171 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3muh s LYS 172 N -0.69 3.43 0.19 3.52 1.02 -1.26 -4.69 119.74 121.26 3muh s LYS 172 Ca 0.00 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 3muh s LYS 172 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3muh s LYS 172 CO 0.00 -0.41 0.39 0.71 -0.92 0.00 0.00 175.35 175.12 3muh s TYR 173 N -2.92 3.48 -0.01 3.18 2.02 0.92 -0.95 117.35 123.08 3muh s TYR 173 Ca 0.51 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 3muh s TYR 173 Cb -0.11 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3muh s TYR 173 CO 0.48 0.39 0.00 0.00 -1.57 0.00 0.00 175.55 174.84 3muh s ALA 174 N -1.83 0.11 0.33 3.71 0.00 -0.94 -1.28 121.76 121.87 3muh s ALA 174 Ca 0.39 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.47 3muh s ALA 174 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3muh s ALA 174 CO 0.28 -0.02 0.23 0.00 0.00 0.00 0.00 175.76 176.25 3muh s ALA 175 N 0.36 2.00 -0.13 0.00 0.00 0.81 -1.06 121.76 123.73 3muh s ALA 175 Ca -0.03 -1.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.00 3muh s ALA 175 Cb -0.05 1.31 0.05 0.00 0.00 0.00 0.00 23.12 24.43 3muh s ALA 175 CO -0.01 -0.58 0.32 -1.12 0.00 0.00 0.00 175.76 174.37 3muh s SER 176 N -3.40 -0.38 -0.13 0.00 0.01 -1.26 -1.52 113.70 107.02 3muh s SER 176 Ca 0.37 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 3muh s SER 176 Cb 0.03 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 3muh s SER 176 CO 0.23 -0.17 -0.08 -0.55 0.41 0.00 0.00 173.24 173.07 3muh s SER 177 N 1.25 4.45 -0.14 2.44 0.15 -0.43 -1.54 113.70 119.88 3muh s SER 177 Ca -0.09 -0.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.37 3muh s SER 177 Cb -0.09 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.60 3muh s SER 177 CO -0.10 0.20 -0.13 -0.31 1.20 0.00 0.00 173.24 174.10 3muh s TYR 178 N 0.17 2.82 -0.38 3.44 2.02 0.01 -1.36 117.35 124.06 3muh s TYR 178 Ca -0.04 -0.72 -0.05 0.00 -0.37 0.00 0.00 57.07 55.89 3muh s TYR 178 Cb -0.14 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.63 3muh s TYR 178 CO 0.04 -0.27 0.16 -1.17 -1.57 0.00 0.00 175.55 172.74 3muh s LEU 179 N 0.49 4.82 -0.30 -1.29 2.96 -0.88 -0.55 118.68 123.94 3muh s LEU 179 Ca -0.09 -1.63 -0.24 0.00 -0.22 0.00 0.00 54.13 51.95 3muh s LEU 179 Cb -0.16 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3muh s LEU 179 CO 0.04 -0.45 0.81 -0.44 -1.32 0.00 0.00 176.35 174.98 3muh s SER 180 N 1.73 6.69 0.29 3.68 0.01 0.43 -1.54 113.70 124.99 3muh s SER 180 Ca 0.03 0.73 0.06 0.00 1.31 0.00 0.00 55.95 58.07 3muh s SER 180 Cb -0.22 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 3muh s SER 180 CO -0.01 -0.61 -0.03 -0.76 0.41 0.00 0.00 173.24 172.24 3muh s LEU 181 N 2.97 2.43 0.40 2.44 1.02 0.45 -4.67 118.68 123.72 3muh s LEU 181 Ca 0.33 -1.24 -0.09 0.00 0.02 0.00 0.00 54.13 53.15 3muh s LEU 181 Cb -0.14 -0.59 -0.06 0.00 0.02 0.00 0.00 46.19 45.42 3muh s LEU 181 CO 0.12 -0.41 0.74 0.42 0.02 0.00 0.00 176.35 177.23 3muh s THR 182 N -3.07 4.84 0.57 5.49 -4.23 -1.26 -1.39 115.64 116.59 3muh s THR 182 Ca 0.31 0.48 0.27 0.00 -1.18 0.00 0.00 61.69 61.57 3muh s THR 182 Cb 0.05 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 70.48 3muh s THR 182 CO 0.13 -0.53 2.20 -0.65 -0.54 0.00 0.00 174.62 175.23 3muh h PRO 183 N 1.21 0.00 0.10 3.99 0.11 -1.84 -1.58 132.00 133.99 3muh h PRO 183 Ca -0.47 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.35 3muh h PRO 183 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 3muh h PRO 183 CO 0.64 0.00 -1.20 0.93 -0.21 0.00 0.00 178.00 178.15 3muh h GLU 184 N 0.00 0.56 -0.17 1.05 5.08 -1.97 -1.91 114.58 117.22 3muh h GLU 184 Ca 0.02 -0.74 0.04 0.00 -1.00 0.00 0.00 59.36 57.68 3muh h GLU 184 Cb 0.12 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3muh h GLU 184 CO -0.00 1.33 -0.09 1.96 -1.00 0.00 0.00 179.01 181.20 3muh h GLN 185 N 0.25 -0.08 -0.06 2.33 4.20 -1.72 -1.21 115.11 118.82 3muh h GLN 185 Ca -0.17 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3muh h GLN 185 Cb 1.88 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.67 3muh h GLN 185 CO 0.22 -0.05 0.03 2.35 -0.67 0.00 0.00 178.83 180.71 3muh h TRP 186 N -0.08 0.08 -0.69 2.96 2.91 -1.36 -3.05 115.95 116.72 3muh h TRP 186 Ca 0.10 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.14 3muh h TRP 186 Cb 0.23 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 3muh h TRP 186 CO -0.24 0.12 0.45 0.87 -1.03 0.00 0.00 178.44 178.61 3muh h LYS 187 N 0.01 0.83 0.00 2.65 1.79 -1.14 -3.31 116.57 117.40 3muh h LYS 187 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3muh h LYS 187 Cb 0.07 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3muh h LYS 187 CO -0.00 0.55 0.00 -1.13 -1.08 0.00 0.00 179.45 177.79 3muh n SER 188 N -4.45 0.00 -4.68 0.86 3.41 -0.47 -4.77 113.62 103.52 3muh n SER 188 Ca 0.08 0.88 -0.45 0.00 -0.26 0.00 0.00 58.87 59.12 3muh n SER 188 Cb 0.10 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3muh n SER 188 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3muh n HIS 189 N -1.71 2.43 0.29 7.33 8.25 -1.21 -4.91 115.22 125.70 3muh n HIS 189 Ca 0.00 -0.04 0.18 0.00 -0.26 0.00 0.00 57.72 57.60 3muh n HIS 189 Cb 0.00 -2.68 0.88 0.00 1.12 0.00 0.00 29.99 29.31 3muh n HIS 189 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3muh h LYS 190 N 8.47 0.00 -2.56 -0.41 -0.00 -1.88 -3.42 116.57 116.77 3muh h LYS 190 Ca -0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.12 3muh h LYS 190 Cb 1.25 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 33.31 3muh h LYS 190 CO 0.93 0.00 0.10 -1.12 -0.00 0.00 0.00 179.45 179.37 3muh s SER 191 N -4.94 -0.52 0.01 7.07 0.01 -1.26 -4.55 113.70 109.52 3muh s SER 191 Ca -0.02 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3muh s SER 191 Cb 0.10 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.84 3muh s SER 191 CO 0.40 -0.71 -0.02 -0.31 0.41 0.00 0.00 173.24 173.00 3muh s TYR 192 N -2.20 0.19 -0.01 2.43 1.51 -1.07 -0.29 117.35 117.92 3muh s TYR 192 Ca -0.06 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3muh s TYR 192 Cb -0.01 -0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.71 3muh s TYR 192 CO 0.01 -0.10 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.17 3muh s SER 193 N -0.82 0.72 -0.24 2.29 0.01 -0.55 -3.03 113.70 112.07 3muh s SER 193 Ca -0.08 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 3muh s SER 193 Cb -0.06 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3muh s SER 193 CO -0.00 0.04 -0.03 0.00 0.41 0.00 0.00 173.24 173.66 3muh s GLN 195 N 1.44 1.13 0.27 0.00 -2.07 -0.33 -2.50 119.66 117.59 3muh s GLN 195 Ca 0.04 -0.95 -0.22 0.00 -1.82 0.00 0.00 55.36 52.40 3muh s GLN 195 Cb -0.15 -2.37 -0.09 0.00 -1.09 0.00 0.00 33.01 29.31 3muh s GLN 195 CO -0.03 -0.74 0.82 0.14 -1.32 0.00 0.00 175.29 174.16 3muh s VAL 196 N 1.52 4.41 -0.11 3.63 -7.23 -1.05 -0.92 120.40 120.66 3muh s VAL 196 Ca 0.01 1.52 0.03 0.00 -1.81 0.00 0.00 61.98 61.72 3muh s VAL 196 Cb -0.18 -3.92 0.01 0.00 0.56 0.00 0.00 36.38 32.85 3muh s VAL 196 CO -0.12 0.17 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.76 3muh s THR 197 N -1.58 1.72 -0.22 5.32 2.01 0.41 -1.95 115.64 121.36 3muh s THR 197 Ca 0.46 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 3muh s THR 197 Cb -0.17 -1.54 0.09 0.00 0.01 0.00 0.00 72.50 70.89 3muh s THR 197 CO 0.22 0.49 0.19 -2.28 -0.69 0.00 0.00 174.62 172.54 3muh s HIS 198 N 0.74 -0.10 -1.32 4.92 5.04 0.04 -1.44 115.29 123.16 3muh s HIS 198 Ca -0.11 -0.11 -0.01 0.00 -1.54 0.00 0.00 55.06 53.29 3muh s HIS 198 Cb -0.16 -0.53 0.01 0.00 0.04 0.00 0.00 32.58 31.94 3muh s HIS 198 CO 0.02 -0.65 0.74 0.39 -2.34 0.00 0.00 174.74 172.90 3muh n GLU 199 N 5.30 -5.08 0.00 2.88 -0.58 -1.26 -2.85 120.64 119.05 3muh n GLU 199 Ca -0.06 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3muh n GLU 199 Cb 0.48 -5.24 0.00 0.00 -0.57 0.00 0.00 31.44 26.11 3muh n GLU 199 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3muh n GLY 200 N -1.56 2.02 3.71 0.62 0.00 -1.26 -4.99 105.19 103.73 3muh n GLY 200 Ca -0.27 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3muh n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3muh s SER 203 N 0.00 6.75 -0.04 1.61 0.01 -1.13 -5.01 113.70 115.89 3muh s SER 203 Ca 0.00 2.39 0.01 0.00 1.31 0.00 0.00 55.95 59.66 3muh s SER 203 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3muh s SER 203 CO 0.00 -0.72 -0.04 -0.89 0.41 0.00 0.00 173.24 172.01 3muh s THR 204 N 1.31 3.94 -0.10 1.44 2.01 -1.26 -0.78 115.64 122.20 3muh s THR 204 Ca 0.66 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.18 3muh s THR 204 Cb -0.38 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3muh s THR 204 CO 0.30 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.86 3muh s VAL 205 N -0.93 1.72 -0.12 3.82 1.01 -0.82 -5.02 120.40 120.05 3muh s VAL 205 Ca 0.15 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3muh s VAL 205 Cb -0.11 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.77 3muh s VAL 205 CO 0.05 0.48 -0.07 -0.70 0.00 0.00 0.00 175.10 174.86 3muh s GLU 206 N 0.63 1.52 0.14 2.72 2.12 -1.26 -2.53 118.70 122.04 3muh s GLU 206 Ca -0.13 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 54.93 3muh s GLU 206 Cb -0.16 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 3muh s GLU 206 CO 0.04 -0.30 0.08 0.15 -0.54 0.00 0.00 175.26 174.69 3muh s LYS 207 N 1.69 2.76 0.04 4.30 -0.14 -1.04 -4.98 119.74 122.36 3muh s LYS 207 Ca 0.04 -0.87 0.03 0.00 -1.36 0.00 0.00 55.97 53.81 3muh s LYS 207 Cb -0.13 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.40 3muh s LYS 207 CO -0.08 0.51 -0.09 0.99 -0.76 0.00 0.00 175.35 175.92 3muh s THR 208 N -1.60 0.64 -0.04 2.17 2.01 -1.26 -2.21 115.64 115.36 3muh s THR 208 Ca 0.29 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 3muh s THR 208 Cb -0.11 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.74 3muh s THR 208 CO 0.21 -0.30 0.19 0.54 -0.69 0.00 0.00 174.62 174.57 3muh s VAL 209 N -1.25 0.04 0.01 3.82 0.11 -1.17 -4.97 120.40 117.00 3muh s VAL 209 Ca -0.07 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 3muh s VAL 209 Cb -0.09 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3muh s VAL 209 CO 0.01 -0.19 -0.15 0.00 -3.33 0.00 0.00 175.10 171.43 3muh s ALA 210 N -0.71 1.23 0.82 1.54 0.00 -1.26 -2.58 121.76 120.80 3muh s ALA 210 Ca -0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3muh s ALA 210 Cb -0.05 -0.28 0.09 0.00 0.00 0.00 0.00 23.12 22.89 3muh s ALA 210 CO 0.01 0.28 1.14 -2.14 0.00 0.00 0.00 175.76 175.05 3muh s PRO 211 N -0.61 1.72 0.00 0.00 0.02 -1.26 -5.07 135.00 129.80 3muh s PRO 211 Ca 0.05 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3muh s PRO 211 Cb -0.06 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3muh s PRO 211 CO 0.00 -2.09 0.49 0.25 -0.33 0.00 0.00 177.00 175.33