#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fct s LEU 2 N 0.00 3.96 -0.02 -1.84 1.98 -1.26 -5.01 118.68 116.49 3fct s LEU 2 Ca 0.00 -0.43 -0.22 0.00 -2.89 0.00 0.00 54.13 50.59 3fct s LEU 2 Cb 0.00 -2.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.04 3fct s LEU 2 CO 0.00 -1.38 0.65 0.68 -1.89 0.00 0.00 176.35 174.41 3fct s VAL 3 N 4.33 4.93 -0.37 1.68 -7.23 -1.26 -4.70 120.40 117.78 3fct s VAL 3 Ca 0.31 1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 61.72 3fct s VAL 3 Cb -0.12 -3.99 0.03 0.00 0.56 0.00 0.00 36.38 32.86 3fct s VAL 3 CO 0.18 0.36 0.21 -0.04 -0.31 0.00 0.00 175.10 175.49 3fct s MET 4 N 0.16 2.84 -0.11 4.82 1.00 -1.26 -1.73 119.30 125.02 3fct s MET 4 Ca 0.34 -1.07 -0.19 0.00 0.00 0.00 0.00 55.69 54.77 3fct s MET 4 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 34.83 30.88 3fct s MET 4 CO 0.18 -0.69 0.52 0.99 0.00 0.00 0.00 175.02 176.02 3fct s THR 5 N 1.56 5.16 -0.09 2.05 2.01 -0.70 -4.01 115.64 121.61 3fct s THR 5 Ca 0.02 1.05 0.03 0.00 0.31 0.00 0.00 61.69 63.10 3fct s THR 5 Cb -0.19 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3fct s THR 5 CO 0.07 0.31 -0.18 -1.58 -0.69 0.00 0.00 174.62 172.55 3fct s GLN 6 N 0.68 2.92 0.01 4.92 0.74 -1.26 0.44 119.66 128.11 3fct s GLN 6 Ca 0.28 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.94 3fct s GLN 6 Cb -0.16 -2.41 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 3fct s GLN 6 CO 0.12 0.35 -0.06 0.95 -0.55 0.00 0.00 175.29 176.10 3fct s THR 7 N -0.04 0.41 0.00 -0.34 -4.23 -0.39 -4.65 115.64 106.40 3fct s THR 7 Ca -0.05 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3fct s THR 7 Cb -0.14 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.29 3fct s THR 7 CO 0.04 -0.08 0.00 -0.81 -0.54 0.00 0.00 174.62 173.24 3fct n PRO 8 N 2.43 1.69 -0.00 3.99 -0.04 -1.26 -1.75 135.00 140.06 3fct n PRO 8 Ca -0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 3fct n PRO 8 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 3fct n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3fct n LYS 9 N 0.00 0.69 -3.45 0.54 5.02 -1.26 -4.49 118.16 115.21 3fct n LYS 9 Ca 0.00 -0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 3fct n LYS 9 Cb 0.00 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 3fct n LYS 9 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fct s PHE 10 N -2.16 -0.41 -0.19 2.13 0.40 -1.26 -1.80 117.98 114.68 3fct s PHE 10 Ca -0.01 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 3fct s PHE 10 Cb 0.02 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.25 3fct s PHE 10 CO 0.15 -0.69 -0.13 1.41 0.70 0.00 0.00 175.22 176.67 3fct s MET 11 N 2.37 3.19 0.14 0.44 1.75 -0.89 -5.00 119.30 121.30 3fct s MET 11 Ca 0.09 -0.73 -0.18 0.00 -1.25 0.00 0.00 55.69 53.61 3fct s MET 11 Cb -0.15 -2.75 -0.07 0.00 2.84 0.00 0.00 34.83 34.69 3fct s MET 11 CO -0.17 -0.16 0.61 0.45 -0.65 0.00 0.00 175.02 175.10 3fct s SER 12 N 1.26 6.99 0.11 1.11 0.15 -1.26 -2.31 113.70 119.75 3fct s SER 12 Ca 0.03 1.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.81 3fct s SER 12 Cb -0.14 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 3fct s SER 12 CO -0.07 0.15 0.28 -0.89 1.20 0.00 0.00 173.24 173.92 3fct s THR 13 N -1.34 0.11 0.35 6.45 2.01 -0.25 -4.93 115.64 118.05 3fct s THR 13 Ca 0.36 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.51 3fct s THR 13 Cb -0.17 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 3fct s THR 13 CO 0.20 -0.50 0.11 0.42 -0.69 0.00 0.00 174.62 174.17 3fct s THR 14 N -3.84 2.81 0.08 -0.82 -4.23 -1.26 0.14 115.64 108.52 3fct s THR 14 Ca 0.04 -1.77 -0.31 0.00 -1.18 0.00 0.00 61.69 58.48 3fct s THR 14 Cb 0.04 -2.93 -0.07 0.00 1.34 0.00 0.00 72.50 70.87 3fct s THR 14 CO -0.11 -0.16 1.38 -0.69 -0.54 0.00 0.00 174.62 174.50 3fct s VAL 15 N -2.48 3.44 0.00 2.29 1.01 -1.26 -2.02 120.40 121.38 3fct s VAL 15 Ca 0.37 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3fct s VAL 15 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3fct s VAL 15 CO 0.22 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3fct n GLY 16 N 3.52 0.58 3.88 4.51 0.00 0.15 -4.94 105.19 112.89 3fct n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3fct n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fct s ASP 17 N -2.44 3.54 -0.11 1.61 2.15 -0.86 -4.46 116.67 116.11 3fct s ASP 17 Ca 0.00 0.58 -0.01 0.00 0.43 0.00 0.00 52.55 53.55 3fct s ASP 17 Cb 0.00 -0.87 -0.03 0.00 -0.30 0.00 0.00 42.92 41.72 3fct s ASP 17 CO 0.00 -2.50 -0.08 -0.60 -0.17 0.00 0.00 175.17 171.82 3fct s ARG 18 N -5.66 3.16 0.03 4.34 3.52 -1.26 -0.08 118.95 122.99 3fct s ARG 18 Ca 0.68 -0.58 0.07 0.00 -0.13 0.00 0.00 55.73 55.76 3fct s ARG 18 Cb -0.08 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 3fct s ARG 18 CO 0.52 0.43 -0.18 0.08 -0.81 0.00 0.00 175.30 175.34 3fct s VAL 19 N -0.18 2.79 -0.17 7.11 1.01 -0.96 -4.98 120.40 125.01 3fct s VAL 19 Ca 0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 3fct s VAL 19 Cb -0.13 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.17 3fct s VAL 19 CO 0.03 0.38 0.18 -0.55 0.00 0.00 0.00 175.10 175.15 3fct s SER 20 N -1.30 1.44 -0.12 3.32 0.15 -1.26 -1.56 113.70 114.36 3fct s SER 20 Ca 0.14 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 3fct s SER 20 Cb -0.10 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3fct s SER 20 CO 0.04 -0.31 -0.11 -0.63 1.20 0.00 0.00 173.24 173.43 3fct s ILE 21 N 2.28 3.27 0.04 6.45 1.01 -0.41 -4.74 121.20 129.10 3fct s ILE 21 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.18 3fct s ILE 21 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3fct s ILE 21 CO -0.10 0.53 -0.22 0.42 0.00 0.00 0.00 174.94 175.57 3fct s THR 22 N 0.13 1.76 -0.04 2.92 -4.23 -0.72 -0.62 115.64 114.85 3fct s THR 22 Ca -0.05 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 3fct s THR 22 Cb -0.15 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 3fct s THR 22 CO 0.04 0.27 -0.25 0.00 -0.54 0.00 0.00 174.62 174.14 3fct s LYS 24 N -0.33 2.48 0.43 0.00 -0.14 0.17 -2.33 119.74 120.01 3fct s LYS 24 Ca 0.02 -1.20 -0.23 0.00 -1.36 0.00 0.00 55.97 53.20 3fct s LYS 24 Cb -0.12 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 33.04 3fct s LYS 24 CO 0.02 -0.50 1.06 0.00 -0.76 0.00 0.00 175.35 175.17 3fct s ALA 25 N 1.19 3.01 -0.91 5.17 0.00 -0.69 -1.72 121.76 127.80 3fct s ALA 25 Ca -0.05 0.70 0.27 0.00 0.00 0.00 0.00 51.96 52.88 3fct s ALA 25 Cb -0.18 -3.28 0.89 0.00 0.00 0.00 0.00 23.12 20.54 3fct s ALA 25 CO -0.05 -0.29 1.71 -1.13 0.00 0.00 0.00 175.76 176.00 3fct n SER 26 N -0.36 0.34 -3.67 0.00 3.41 -0.71 -4.82 113.62 107.81 3fct n SER 26 Ca 0.06 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.82 3fct n SER 26 Cb 0.50 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 3fct n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fct s GLN 27 N -3.04 0.75 0.21 4.33 -0.21 -1.26 -4.99 119.66 115.46 3fct s GLN 27 Ca 0.12 0.24 -0.32 0.00 0.02 0.00 0.00 55.36 55.42 3fct s GLN 27 Cb 0.17 0.35 -0.14 0.00 1.00 0.00 0.00 33.01 34.38 3fct s GLN 27 CO 0.60 -0.18 1.26 -1.71 -2.12 0.00 0.00 175.29 173.14 3fct n ASN 28 N 1.71 1.98 -0.04 5.90 4.05 -1.26 -4.88 115.26 122.72 3fct n ASN 28 Ca -0.18 1.15 -0.05 0.00 0.45 0.00 0.00 54.58 55.94 3fct n ASN 28 Cb 0.56 -1.32 -0.04 0.00 1.23 0.00 0.00 39.78 40.22 3fct n ASN 28 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3fct n VAL 29 N 1.56 0.45 0.00 3.44 0.24 0.11 -5.03 118.33 119.11 3fct n VAL 29 Ca 0.13 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3fct n VAL 29 Cb 0.28 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3fct n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fct n GLY 30 N 3.12 1.20 0.00 7.63 0.00 -1.20 -4.57 105.19 111.37 3fct n GLY 30 Ca -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3fct n GLY 30 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3fct n THR 31 N 0.00 0.00 -1.72 2.61 5.66 -1.26 -3.63 114.28 115.94 3fct n THR 31 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 3fct n THR 31 Cb 0.00 0.11 -0.09 0.00 -1.55 0.00 0.00 70.33 68.80 3fct n THR 31 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3fct s PRO 32 N -1.33 1.61 0.00 1.09 0.02 -1.26 -1.89 135.00 133.24 3fct s PRO 32 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 61.00 60.66 3fct s PRO 32 Cb 0.00 -4.99 -0.00 0.00 0.02 0.00 0.00 34.50 29.52 3fct s PRO 32 CO 0.00 -4.85 -0.01 0.08 -0.33 0.00 0.00 177.00 171.89 3fct s VAL 33 N 14.95 0.09 0.12 3.83 1.01 -1.26 -2.11 120.40 137.02 3fct s VAL 33 Ca 0.80 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3fct s VAL 33 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3fct s VAL 33 CO 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 175.10 175.07 3fct s ALA 34 N -0.32 1.17 0.01 5.51 0.00 -0.83 0.12 121.76 127.43 3fct s ALA 34 Ca -0.03 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.60 3fct s ALA 34 Cb -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3fct s ALA 34 CO -0.00 -0.15 -0.16 -1.58 0.00 0.00 0.00 175.76 173.87 3fct s TRP 35 N -3.34 1.39 0.27 0.00 0.52 -0.08 -0.07 118.94 117.62 3fct s TRP 35 Ca 0.13 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 56.03 3fct s TRP 35 Cb 0.03 -0.87 -0.05 0.00 -1.15 0.00 0.00 33.47 31.43 3fct s TRP 35 CO -0.02 0.00 -0.11 0.71 0.02 0.00 0.00 176.95 177.55 3fct s TYR 36 N -0.52 1.99 -0.05 -1.98 1.51 0.12 -1.34 117.35 117.09 3fct s TYR 36 Ca 0.05 -0.58 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 3fct s TYR 36 Cb -0.07 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 3fct s TYR 36 CO 0.00 0.41 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.49 3fct s GLN 37 N -3.66 2.16 -0.19 -0.62 0.74 -0.49 -2.06 119.66 115.55 3fct s GLN 37 Ca 0.28 -0.79 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 3fct s GLN 37 Cb 0.01 -1.88 0.07 0.00 1.10 0.00 0.00 33.01 32.30 3fct s GLN 37 CO 0.11 0.35 0.09 -1.14 -0.55 0.00 0.00 175.29 174.15 3fct s GLN 38 N -0.16 0.18 0.45 1.67 0.74 0.94 -0.34 119.66 123.14 3fct s GLN 38 Ca -0.01 -0.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.12 3fct s GLN 38 Cb -0.12 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 32.14 3fct s GLN 38 CO 0.02 -0.71 0.78 0.15 -0.55 0.00 0.00 175.29 174.98 3fct s LYS 39 N 2.08 3.64 0.29 1.67 1.02 -1.26 -0.97 119.74 126.20 3fct s LYS 39 Ca 0.02 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 3fct s LYS 39 Cb -0.16 -2.38 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 3fct s LYS 39 CO -0.12 -0.13 1.50 -1.25 -0.92 0.00 0.00 175.35 174.42 3fct s PRO 40 N -4.37 4.19 -0.40 -1.68 0.04 -1.26 -2.09 135.00 129.43 3fct s PRO 40 Ca 0.49 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3fct s PRO 40 Cb -0.10 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3fct s PRO 40 CO 0.39 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3fct n GLY 41 N 1.88 0.67 3.24 0.56 0.00 -1.26 -5.02 105.19 105.27 3fct n GLY 41 Ca 0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3fct n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fct s GLN 42 N -2.31 1.44 0.36 1.61 -0.21 -0.89 -5.18 119.66 114.48 3fct s GLN 42 Ca 0.00 -1.80 0.07 0.00 0.02 0.00 0.00 55.36 53.65 3fct s GLN 42 Cb 0.00 0.29 -0.00 0.00 1.00 0.00 0.00 33.01 34.30 3fct s GLN 42 CO 0.00 -0.50 0.49 -1.12 -2.12 0.00 0.00 175.29 172.04 3fct s SER 43 N -3.25 5.89 0.42 5.90 0.01 -1.26 -4.72 113.70 116.68 3fct s SER 43 Ca 0.40 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 57.16 3fct s SER 43 Cb 0.05 -1.09 -0.08 0.00 0.21 0.00 0.00 66.02 65.11 3fct s SER 43 CO 0.19 -0.51 1.20 -2.84 0.41 0.00 0.00 173.24 171.69 3fct s PRO 44 N -4.21 3.94 0.03 12.44 0.02 -1.26 -4.57 135.00 141.38 3fct s PRO 44 Ca 0.47 1.90 0.09 0.00 0.02 0.00 0.00 61.00 63.48 3fct s PRO 44 Cb -0.10 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.78 3fct s PRO 44 CO 0.31 -0.44 -0.26 0.15 -0.33 0.00 0.00 177.00 176.44 3fct s LYS 45 N -2.39 1.84 -0.14 5.54 1.02 0.54 -4.92 119.74 121.22 3fct s LYS 45 Ca 0.59 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 3fct s LYS 45 Cb -0.32 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3fct s LYS 45 CO 0.40 0.51 1.32 -1.17 -0.92 0.00 0.00 175.35 175.49 3fct s LEU 46 N -1.05 4.21 -0.19 3.17 2.96 -1.26 -1.39 118.68 125.13 3fct s LEU 46 Ca 0.11 1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 55.65 3fct s LEU 46 Cb -0.10 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 3fct s LEU 46 CO 0.01 -0.78 -0.34 0.18 -1.32 0.00 0.00 176.35 174.11 3fct n LEU 47 N 6.58 1.89 -4.06 -0.68 4.32 -0.45 -4.75 117.00 119.85 3fct n LEU 47 Ca 0.14 0.32 -0.15 0.00 -0.02 0.00 0.00 56.01 56.30 3fct n LEU 47 Cb 0.45 -0.74 -0.12 0.00 -1.62 0.00 0.00 43.42 41.39 3fct n LEU 47 CO 0.57 -0.09 -0.42 -0.63 -1.22 0.00 0.00 177.39 175.60 3fct s ILE 48 N -2.78 0.66 0.11 -0.08 1.09 -1.08 -1.02 121.20 118.09 3fct s ILE 48 Ca -0.30 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 58.30 3fct s ILE 48 Cb 0.06 -0.66 -0.03 0.00 -1.06 0.00 0.00 42.46 40.77 3fct s ILE 48 CO 0.42 -0.21 0.07 -0.72 -0.10 0.00 0.00 174.94 174.40 3fct s TYR 49 N -1.05 0.63 -1.44 3.97 1.13 -0.64 -0.91 117.35 119.04 3fct s TYR 49 Ca -0.05 -1.07 -0.11 0.00 -1.41 0.00 0.00 57.07 54.43 3fct s TYR 49 Cb -0.08 -0.36 0.04 0.00 -1.10 0.00 0.00 41.96 40.46 3fct s TYR 49 CO 0.01 -0.50 1.08 0.45 -2.51 0.00 0.00 175.55 174.08 3fct n SER 50 N -0.04 -5.73 0.00 -0.18 2.88 -0.12 -1.33 113.62 109.09 3fct n SER 50 Ca -0.09 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 3fct n SER 50 Cb 0.63 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 3fct n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fct n ALA 51 N -4.83 0.00 -0.64 -1.46 0.00 0.33 -3.94 120.51 109.98 3fct n ALA 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3fct n ALA 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3fct n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fct n SER 52 N 2.95 0.45 -4.57 0.00 3.41 -1.23 -3.31 113.62 111.33 3fct n SER 52 Ca 0.00 -1.09 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 3fct n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3fct n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3fct s ASN 53 N -0.09 6.37 0.33 4.04 -0.87 -0.44 -4.65 114.94 119.62 3fct s ASN 53 Ca 0.00 -0.04 -0.29 0.00 -1.57 0.00 0.00 52.86 50.96 3fct s ASN 53 Cb 0.00 -2.56 -0.11 0.00 -0.02 0.00 0.00 41.25 38.57 3fct s ASN 53 CO 0.00 -1.58 1.48 -0.60 -2.57 0.00 0.00 177.10 173.83 3fct s ARG 54 N 5.18 4.17 0.39 -0.60 3.52 -1.26 -1.62 118.95 128.73 3fct s ARG 54 Ca 0.41 2.48 -0.24 0.00 -0.13 0.00 0.00 55.73 58.25 3fct s ARG 54 Cb -0.08 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.21 3fct s ARG 54 CO 0.23 -0.49 1.05 -0.47 -0.81 0.00 0.00 175.30 174.80 3fct s TYR 55 N -0.68 3.29 0.22 5.12 5.04 -0.19 -4.90 117.35 125.25 3fct s TYR 55 Ca 0.56 1.65 -0.32 0.00 -2.44 0.00 0.00 57.07 56.52 3fct s TYR 55 Cb -0.45 -3.12 -0.12 0.00 0.35 0.00 0.00 41.96 38.62 3fct s TYR 55 CO 0.55 -0.59 1.68 0.25 -1.34 0.00 0.00 175.55 176.10 3fct n THR 56 N -0.02 0.19 0.00 4.34 -2.24 -1.26 -2.15 114.28 113.14 3fct n THR 56 Ca 0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3fct n THR 56 Cb 0.50 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 3fct n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fct n GLY 57 N 3.57 2.05 3.73 3.38 0.00 -1.26 -5.07 105.19 111.59 3fct n GLY 57 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fct n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fct s VAL 58 N -2.26 3.42 0.81 1.61 1.01 -0.91 -4.99 120.40 119.08 3fct s VAL 58 Ca 0.00 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 3fct s VAL 58 Cb 0.00 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.73 3fct s VAL 58 CO 0.00 0.14 1.05 -2.65 0.00 0.00 0.00 175.10 173.64 3fct n PRO 59 N 3.09 0.17 0.00 2.72 -0.02 -1.26 -4.87 135.00 134.82 3fct n PRO 59 Ca 0.07 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3fct n PRO 59 Cb 0.44 -2.31 0.74 0.00 -0.02 0.00 0.00 33.50 32.35 3fct n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3fct n ASP 60 N -2.70 0.00 0.12 2.55 5.75 -1.26 -3.16 116.55 117.85 3fct n ASP 60 Ca 0.13 -0.47 0.13 0.00 -0.01 0.00 0.00 54.79 54.57 3fct n ASP 60 Cb 0.51 -0.15 0.45 0.00 -1.03 0.00 0.00 41.12 40.90 3fct n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3fct n ARG 61 N -1.15 0.24 -3.26 0.11 1.85 -1.26 -4.48 116.66 108.71 3fct n ARG 61 Ca 0.17 0.33 -0.40 0.00 -1.00 0.00 0.00 57.85 56.95 3fct n ARG 61 Cb 0.16 -1.86 -0.08 0.00 -1.05 0.00 0.00 32.46 29.63 3fct n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fct s PHE 62 N -3.22 3.27 -0.03 2.89 0.08 -1.19 -0.61 117.98 119.17 3fct s PHE 62 Ca 0.07 0.61 0.02 0.00 0.12 0.00 0.00 56.93 57.76 3fct s PHE 62 Cb 0.11 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.87 3fct s PHE 62 CO 0.50 -0.26 -0.09 0.99 -0.10 0.00 0.00 175.22 176.26 3fct s THR 63 N 2.21 0.78 0.22 0.64 2.01 -0.18 -4.96 115.64 116.35 3fct s THR 63 Ca 0.20 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.94 3fct s THR 63 Cb -0.16 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3fct s THR 63 CO 0.09 0.25 0.07 -0.83 -0.69 0.00 0.00 174.62 173.51 3fct s GLY 64 N 0.32 1.62 -0.13 4.40 0.00 -1.26 -0.16 107.32 112.10 3fct s GLY 64 Ca -0.05 -1.45 -0.33 0.00 0.00 0.00 0.00 44.72 42.89 3fct s GLY 64 CO 0.01 -1.48 1.13 -1.35 0.00 0.00 0.00 173.10 171.40 3fct s SER 65 N -3.42 -0.19 0.00 1.64 1.04 -0.10 -4.57 113.70 108.09 3fct s SER 65 Ca 0.31 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.73 3fct s SER 65 Cb -0.08 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3fct s SER 65 CO 0.21 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.70 3fct n GLY 66 N -0.15 4.66 0.00 7.32 0.00 -1.26 0.11 105.19 115.87 3fct n GLY 66 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3fct n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fct n SER 67 N 0.00 0.00 -0.02 1.61 7.64 -0.72 -4.90 113.62 117.24 3fct n SER 67 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3fct n SER 67 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3fct n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fct n GLY 68 N 4.92 0.10 0.00 0.23 0.00 -1.24 -4.46 105.19 104.74 3fct n GLY 68 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3fct n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fct n THR 69 N -1.15 0.00 -4.86 2.61 -1.04 -1.26 -0.71 114.28 107.87 3fct n THR 69 Ca 0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.70 3fct n THR 69 Cb 0.15 0.12 -0.15 0.00 -1.82 0.00 0.00 70.33 68.62 3fct n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3fct s ASP 70 N -0.65 3.65 0.07 8.00 1.01 -1.26 -1.71 116.67 125.77 3fct s ASP 70 Ca 0.00 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.85 3fct s ASP 70 Cb 0.00 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 3fct s ASP 70 CO 0.00 0.15 -0.08 -0.36 0.21 0.00 0.00 175.17 175.09 3fct s PHE 71 N 0.45 0.82 -0.04 4.23 0.40 -0.98 -1.75 117.98 121.10 3fct s PHE 71 Ca -0.12 -0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 55.47 3fct s PHE 71 Cb -0.16 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 42.90 3fct s PHE 71 CO 0.05 -0.08 0.20 0.99 0.70 0.00 0.00 175.22 177.08 3fct s THR 72 N -2.23 0.04 -0.14 0.64 2.01 0.29 -1.86 115.64 114.39 3fct s THR 72 Ca -0.01 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3fct s THR 72 Cb -0.04 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.09 3fct s THR 72 CO -0.01 -0.17 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.38 3fct s LEU 73 N -0.63 1.69 -0.05 4.42 2.96 0.21 -0.93 118.68 126.35 3fct s LEU 73 Ca -0.07 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 3fct s LEU 73 Cb -0.04 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 3fct s LEU 73 CO 0.01 -0.04 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.94 3fct s THR 74 N 1.38 2.78 -0.46 3.68 2.01 0.77 -1.28 115.64 124.51 3fct s THR 74 Ca 0.02 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 3fct s THR 74 Cb -0.13 -2.07 0.11 0.00 0.01 0.00 0.00 72.50 70.42 3fct s THR 74 CO -0.09 0.58 0.33 -0.63 -0.69 0.00 0.00 174.62 174.12 3fct s ILE 75 N -0.54 4.17 0.28 1.82 1.01 -0.60 -1.01 121.20 126.32 3fct s ILE 75 Ca 0.07 -1.75 -0.00 0.00 0.00 0.00 0.00 60.65 58.97 3fct s ILE 75 Cb -0.11 -3.72 0.29 0.00 0.01 0.00 0.00 42.46 38.92 3fct s ILE 75 CO 0.01 -0.74 1.66 0.28 0.00 0.00 0.00 174.94 176.15 3fct h SER 76 N 8.43 0.01 -1.70 3.58 0.02 -1.14 -2.55 113.55 120.20 3fct h SER 76 Ca -0.21 0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 3fct h SER 76 Cb 1.07 0.24 -0.28 0.00 0.14 0.00 0.00 62.40 63.58 3fct h SER 76 CO 0.84 -0.11 -0.49 0.20 -1.14 0.00 0.00 176.83 176.12 3fct s ASN 77 N -5.14 0.14 0.06 3.07 0.02 -1.24 -4.38 114.94 107.47 3fct s ASN 77 Ca -0.12 -0.07 -0.36 0.00 -1.02 0.00 0.00 52.86 51.29 3fct s ASN 77 Cb 0.24 1.22 -0.15 0.00 0.02 0.00 0.00 41.25 42.58 3fct s ASN 77 CO 0.77 -0.33 1.50 0.80 0.02 0.00 0.00 177.10 179.86 3fct n MET 78 N 5.36 1.56 -4.37 -0.60 0.00 0.89 -4.68 117.12 115.28 3fct n MET 78 Ca -0.01 0.56 -0.28 0.00 -0.00 0.00 0.00 57.70 57.97 3fct n MET 78 Cb 0.50 -2.27 -0.12 0.00 0.00 0.00 0.00 33.22 31.33 3fct n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3fct s GLN 79 N 1.21 1.60 0.32 2.12 -0.21 -1.26 0.32 119.66 123.76 3fct s GLN 79 Ca 0.85 -1.36 0.07 0.00 0.02 0.00 0.00 55.36 54.94 3fct s GLN 79 Cb -0.86 -1.96 0.90 0.00 1.00 0.00 0.00 33.01 32.10 3fct s GLN 79 CO 0.46 0.44 1.61 0.66 -2.12 0.00 0.00 175.29 176.34 3fct h SER 80 N 3.53 -0.05 -0.01 5.90 4.64 -1.91 0.34 113.55 125.99 3fct h SER 80 Ca -0.49 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3fct h SER 80 Cb 1.19 0.33 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3fct h SER 80 CO 0.45 -0.29 0.00 -1.84 -0.87 0.00 0.00 176.83 174.28 3fct n GLU 81 N -5.31 1.04 -0.04 4.77 0.00 -1.20 -3.55 120.64 116.36 3fct n GLU 81 Ca 0.27 -0.06 0.13 0.00 0.00 0.00 0.00 57.16 57.49 3fct n GLU 81 Cb 0.87 -1.27 0.38 0.00 0.00 0.00 0.00 31.44 31.42 3fct n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3fct n ASP 82 N -0.70 2.02 -4.71 -1.84 8.00 0.12 -4.89 116.55 114.55 3fct n ASP 82 Ca 0.13 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 3fct n ASP 82 Cb 0.07 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3fct n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3fct s LEU 83 N -1.86 4.35 0.00 0.64 0.05 -1.23 -4.90 118.68 115.73 3fct s LEU 83 Ca 0.35 2.11 0.00 0.00 0.05 0.00 0.00 54.13 56.63 3fct s LEU 83 Cb 0.20 -3.58 0.00 0.00 -2.05 0.00 0.00 46.19 40.77 3fct s LEU 83 CO 0.31 -0.57 0.00 0.00 -0.55 0.00 0.00 176.35 175.54 3fct n ALA 84 N 4.28 0.00 -2.82 1.48 0.00 -1.15 -4.84 120.51 117.46 3fct n ALA 84 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 3fct n ALA 84 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3fct n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fct s ASP 85 N -4.00 5.94 -0.03 0.00 1.11 -0.15 -1.04 116.67 118.50 3fct s ASP 85 Ca 0.00 0.28 0.04 0.00 0.18 0.00 0.00 52.55 53.05 3fct s ASP 85 Cb 0.00 -1.80 -0.00 0.00 1.07 0.00 0.00 42.92 42.18 3fct s ASP 85 CO 0.00 0.33 -0.16 -0.31 1.18 0.00 0.00 175.17 176.21 3fct s TYR 86 N -1.12 1.58 0.03 4.23 1.51 -0.21 -0.04 117.35 123.33 3fct s TYR 86 Ca 0.20 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3fct s TYR 86 Cb -0.12 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3fct s TYR 86 CO 0.10 -0.13 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.24 3fct s PHE 87 N -0.04 0.96 0.37 2.71 0.40 -0.87 -0.60 117.98 120.91 3fct s PHE 87 Ca -0.01 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 3fct s PHE 87 Cb -0.10 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 3fct s PHE 87 CO 0.01 -0.00 0.35 0.00 0.70 0.00 0.00 175.22 176.28 3fct s GLN 89 N -4.07 0.81 -0.04 0.00 0.74 0.90 -0.98 119.66 117.02 3fct s GLN 89 Ca 0.44 -0.31 0.06 0.00 0.05 0.00 0.00 55.36 55.60 3fct s GLN 89 Cb -0.05 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.39 3fct s GLN 89 CO 0.28 -0.25 -0.21 -1.14 -0.55 0.00 0.00 175.29 173.41 3fct s GLN 90 N -2.01 2.36 -0.10 1.67 -0.44 -0.46 -1.97 119.66 118.70 3fct s GLN 90 Ca -0.08 -0.84 0.24 0.00 -2.50 0.00 0.00 55.36 52.18 3fct s GLN 90 Cb -0.02 -2.20 0.46 0.00 -1.64 0.00 0.00 33.01 29.61 3fct s GLN 90 CO 0.00 0.54 1.15 2.48 0.50 0.00 0.00 175.29 179.97 3fct n TYR 91 N 2.51 0.50 0.01 1.67 4.11 -0.90 -2.43 117.16 122.63 3fct n TYR 91 Ca -0.17 -1.14 -0.03 0.00 -0.00 0.00 0.00 57.90 56.56 3fct n TYR 91 Cb 0.52 -0.19 -0.11 0.00 -0.00 0.00 0.00 39.34 39.56 3fct n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3fct n SER 92 N 0.02 0.79 -3.82 9.48 3.41 -1.26 -4.92 113.62 117.33 3fct n SER 92 Ca 0.08 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3fct n SER 92 Cb 1.01 0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 65.00 3fct n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fct s SER 93 N -5.83 -0.07 0.31 4.04 1.04 -1.26 -5.13 113.70 106.80 3fct s SER 93 Ca -0.04 0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 3fct s SER 93 Cb 0.08 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 3fct s SER 93 CO 0.82 -0.05 1.01 -0.31 0.98 0.00 0.00 173.24 175.69 3fct s TYR 94 N 0.31 3.62 0.63 5.02 2.02 -1.26 -3.85 117.35 123.84 3fct s TYR 94 Ca -0.02 1.76 -0.13 0.00 -0.37 0.00 0.00 57.07 58.31 3fct s TYR 94 Cb -0.03 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 3fct s TYR 94 CO -0.01 -0.14 1.04 -1.25 -1.57 0.00 0.00 175.55 173.62 3fct s PRO 95 N -1.80 3.34 0.49 -1.71 0.04 -1.26 -4.92 135.00 129.18 3fct s PRO 95 Ca 0.48 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 3fct s PRO 95 Cb -0.25 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 3fct s PRO 95 CO 0.31 -0.78 1.20 -0.51 0.04 0.00 0.00 177.00 177.27 3fct s LEU 96 N -5.03 3.93 0.20 -3.56 1.02 -1.25 -4.74 118.68 109.25 3fct s LEU 96 Ca 0.58 2.40 0.10 0.00 0.02 0.00 0.00 54.13 57.23 3fct s LEU 96 Cb -0.13 -4.30 -0.04 0.00 0.02 0.00 0.00 46.19 41.74 3fct s LEU 96 CO 0.48 -1.12 -0.20 -0.89 0.02 0.00 0.00 176.35 174.64 3fct s THR 97 N -1.52 2.11 0.10 5.49 2.01 -1.02 -4.98 115.64 117.83 3fct s THR 97 Ca 0.67 -2.08 0.09 0.00 0.31 0.00 0.00 61.69 60.68 3fct s THR 97 Cb -0.31 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3fct s THR 97 CO 0.37 -0.29 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.42 3fct s PHE 98 N -2.10 1.88 0.80 4.92 0.08 -1.26 -1.35 117.98 120.95 3fct s PHE 98 Ca 0.21 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 3fct s PHE 98 Cb -0.06 -1.04 0.07 0.00 -0.57 0.00 0.00 43.02 41.43 3fct s PHE 98 CO 0.09 0.21 1.14 0.20 -0.10 0.00 0.00 175.22 176.76 3fct s GLY 99 N -1.84 1.60 0.13 4.36 0.00 -0.15 -4.53 107.32 106.89 3fct s GLY 99 Ca 0.08 -0.47 0.17 0.00 0.00 0.00 0.00 44.72 44.50 3fct s GLY 99 CO 0.04 -0.00 1.52 0.61 0.00 0.00 0.00 173.10 175.27 3fct n GLY 100 N -2.78 -1.03 0.00 0.20 0.00 -1.26 -4.70 105.19 95.62 3fct n GLY 100 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fct n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fct n GLY 101 N -0.31 -1.68 3.09 -0.02 0.00 -1.26 -5.02 105.19 99.98 3fct n GLY 101 Ca 0.02 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3fct n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fct s THR 102 N -3.33 1.43 -0.10 2.61 2.01 0.23 -4.64 115.64 113.85 3fct s THR 102 Ca 0.00 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 3fct s THR 102 Cb 0.00 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 3fct s THR 102 CO 0.00 0.42 0.43 -0.75 -0.69 0.00 0.00 174.62 174.03 3fct s LYS 103 N 0.52 4.24 -0.20 4.92 2.20 -0.75 -1.04 119.74 129.64 3fct s LYS 103 Ca -0.15 0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 3fct s LYS 103 Cb -0.16 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3fct s LYS 103 CO 0.05 0.28 -0.13 0.08 -0.36 0.00 0.00 175.35 175.28 3fct s VAL 104 N 0.24 2.63 0.31 4.02 1.01 -0.21 -2.09 120.40 126.32 3fct s VAL 104 Ca 0.24 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.53 3fct s VAL 104 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3fct s VAL 104 CO 0.10 0.46 -0.07 -0.70 0.00 0.00 0.00 175.10 174.88 3fct s GLU 105 N 1.36 1.94 -0.12 2.72 2.56 -0.98 -2.92 118.70 123.27 3fct s GLU 105 Ca 0.05 -1.75 -0.01 0.00 0.00 0.00 0.00 54.97 53.26 3fct s GLU 105 Cb -0.14 -1.87 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 3fct s GLU 105 CO -0.08 0.22 -0.10 0.42 -0.56 0.00 0.00 175.26 175.16 3fct s ILE 106 N -2.51 3.39 -0.19 -3.70 1.01 -1.26 -1.09 121.20 116.86 3fct s ILE 106 Ca 0.32 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3fct s ILE 106 Cb -0.02 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3fct s ILE 106 CO 0.18 0.53 0.17 -0.75 0.00 0.00 0.00 174.94 175.06 3fct s LYS 107 N 0.13 4.20 0.13 2.79 2.47 0.36 -4.85 119.74 124.97 3fct s LYS 107 Ca -0.04 -0.14 0.03 0.00 -1.56 0.00 0.00 55.97 54.25 3fct s LYS 107 Cb -0.14 -3.42 -0.01 0.00 -1.46 0.00 0.00 37.83 32.80 3fct s LYS 107 CO 0.04 0.29 0.11 2.89 0.16 0.00 0.00 175.35 178.84 3fct n ARG 108 N 3.52 0.16 -2.51 4.03 1.85 -1.26 -4.32 116.66 118.13 3fct n ARG 108 Ca -0.15 -1.25 -0.35 0.00 -1.00 0.00 0.00 57.85 55.10 3fct n ARG 108 Cb 0.52 1.03 -0.03 0.00 -1.05 0.00 0.00 32.46 32.93 3fct n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3fct s THR 109 N -2.51 3.70 0.74 8.89 -4.23 -1.26 -4.93 115.64 116.03 3fct s THR 109 Ca 0.15 1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 61.64 3fct s THR 109 Cb 0.01 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 3fct s THR 109 CO 0.11 -0.15 0.77 0.52 -0.54 0.00 0.00 174.62 175.33 3fct n VAL 110 N -0.68 2.17 -3.69 2.29 0.31 -1.26 -4.79 118.33 112.69 3fct n VAL 110 Ca 0.08 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 3fct n VAL 110 Cb 0.51 -0.93 -0.10 0.00 -0.91 0.00 0.00 33.84 32.41 3fct n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fct s ALA 111 N -1.91 -1.16 0.27 3.52 0.00 0.11 -4.86 121.76 117.73 3fct s ALA 111 Ca 0.69 1.65 -0.26 0.00 0.00 0.00 0.00 51.96 54.05 3fct s ALA 111 Cb -0.34 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 3fct s ALA 111 CO 0.54 -0.28 0.89 0.00 0.00 0.00 0.00 175.76 176.91 3fct s ALA 112 N 1.44 3.30 0.53 0.00 0.00 -1.26 -1.29 121.76 124.48 3fct s ALA 112 Ca -0.10 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 3fct s ALA 112 Cb -0.08 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 3fct s ALA 112 CO -0.14 0.22 1.05 -1.25 0.00 0.00 0.00 175.76 175.64 3fct s PRO 113 N -1.76 3.59 -0.25 0.00 0.04 -1.26 -4.63 135.00 130.73 3fct s PRO 113 Ca 0.45 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3fct s PRO 113 Cb -0.20 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3fct s PRO 113 CO 0.25 -0.60 0.18 -1.12 0.04 0.00 0.00 177.00 175.75 3fct s SER 114 N -2.36 6.12 -0.12 6.66 0.01 -0.88 -4.85 113.70 118.27 3fct s SER 114 Ca 0.66 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 58.01 3fct s SER 114 Cb -0.16 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 3fct s SER 114 CO 0.28 0.03 -0.04 0.54 0.41 0.00 0.00 173.24 174.46 3fct s VAL 115 N 1.22 3.88 0.01 3.43 0.11 -1.25 0.39 120.40 128.20 3fct s VAL 115 Ca 0.08 -0.38 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 3fct s VAL 115 Cb -0.14 -2.66 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 3fct s VAL 115 CO 0.06 0.53 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.81 3fct s PHE 116 N -0.08 1.72 -0.13 1.54 0.40 0.12 -4.94 117.98 116.61 3fct s PHE 116 Ca 0.02 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3fct s PHE 116 Cb -0.13 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 3fct s PHE 116 CO 0.03 0.02 -0.12 -1.50 0.70 0.00 0.00 175.22 174.34 3fct s ILE 117 N -0.61 3.12 -0.22 0.64 1.10 -1.26 0.11 121.20 124.08 3fct s ILE 117 Ca 0.07 -0.64 0.02 0.00 -0.51 0.00 0.00 60.65 59.59 3fct s ILE 117 Cb -0.08 -2.31 0.04 0.00 0.15 0.00 0.00 42.46 40.26 3fct s ILE 117 CO 0.00 0.53 -0.15 -0.36 -2.11 0.00 0.00 174.94 172.85 3fct s PHE 118 N 0.28 3.00 0.65 3.50 0.08 0.60 -4.99 117.98 121.10 3fct s PHE 118 Ca -0.09 -1.97 -0.15 0.00 0.12 0.00 0.00 56.93 54.84 3fct s PHE 118 Cb -0.15 -1.91 -0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3fct s PHE 118 CO 0.05 -0.84 1.12 -1.25 -0.10 0.00 0.00 175.22 174.20 3fct s PRO 119 N 1.20 2.80 0.08 0.24 0.04 -1.26 -0.66 135.00 137.44 3fct s PRO 119 Ca -0.02 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 3fct s PRO 119 Cb -0.16 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3fct s PRO 119 CO -0.09 -1.26 1.63 -2.14 0.04 0.00 0.00 177.00 175.18 3fct s PRO 120 N -4.00 4.20 0.54 0.56 0.02 -1.22 -4.84 135.00 130.27 3fct s PRO 120 Ca 0.68 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.81 3fct s PRO 120 Cb -0.22 -3.55 -0.05 0.00 0.02 0.00 0.00 34.50 30.71 3fct s PRO 120 CO 0.40 -0.71 1.24 -1.54 -0.33 0.00 0.00 177.00 176.06 3fct s SER 121 N 2.23 5.47 0.23 2.53 1.04 -1.26 -4.88 113.70 119.06 3fct s SER 121 Ca 0.73 2.47 -0.06 0.00 0.48 0.00 0.00 55.95 59.56 3fct s SER 121 Cb -0.40 -2.61 0.38 0.00 0.10 0.00 0.00 66.02 63.49 3fct s SER 121 CO 0.32 -1.41 1.73 0.44 0.98 0.00 0.00 173.24 175.30 3fct h ASP 122 N 1.35 0.23 -0.45 7.02 3.32 -1.99 -1.90 116.42 124.01 3fct h ASP 122 Ca -0.50 0.10 0.09 0.00 0.02 0.00 0.00 57.03 56.74 3fct h ASP 122 Cb 1.28 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.83 3fct h ASP 122 CO 0.57 0.11 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.96 3fct h GLU 123 N 0.42 -0.05 0.00 3.56 4.81 -2.00 0.18 114.58 121.49 3fct h GLU 123 Ca 0.37 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3fct h GLU 123 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3fct h GLU 123 CO -0.37 -0.04 -0.24 0.37 -0.73 0.00 0.00 179.01 178.00 3fct h GLN 124 N -0.05 0.00 0.00 1.92 4.15 -1.70 -1.43 115.11 117.99 3fct h GLN 124 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3fct h GLN 124 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3fct h GLN 124 CO -0.49 0.24 0.00 -0.07 -1.93 0.00 0.00 178.83 176.58 3fct h LEU 125 N 0.00 0.00 -0.48 -2.39 3.38 -0.11 0.16 115.31 115.88 3fct h LEU 125 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fct h LEU 125 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fct h LEU 125 CO 0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.85 3fct n LYS 126 N -2.86 1.30 -0.00 1.13 4.76 -0.54 -3.45 118.16 118.51 3fct n LYS 126 Ca -0.00 -0.47 0.03 0.00 -2.87 0.00 0.00 58.31 55.00 3fct n LYS 126 Cb 0.21 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 3fct n LYS 126 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3fct n SER 127 N -0.18 0.79 0.00 4.39 3.41 0.04 -5.01 113.62 117.07 3fct n SER 127 Ca 0.07 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3fct n SER 127 Cb 0.13 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 3fct n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fct n GLY 128 N 1.29 2.78 3.56 5.00 0.00 -1.22 -5.01 105.19 111.59 3fct n GLY 128 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3fct n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fct s THR 129 N -2.22 3.69 0.10 2.61 2.01 -1.26 -0.10 115.64 120.48 3fct s THR 129 Ca 0.00 -0.47 0.10 0.00 0.31 0.00 0.00 61.69 61.62 3fct s THR 129 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3fct s THR 129 CO 0.00 0.58 -0.25 0.00 -0.69 0.00 0.00 174.62 174.26 3fct s ALA 130 N -0.61 2.22 -0.05 7.40 0.00 -0.47 -4.38 121.76 125.86 3fct s ALA 130 Ca 0.09 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 3fct s ALA 130 Cb -0.12 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3fct s ALA 130 CO 0.02 0.50 0.01 -1.12 0.00 0.00 0.00 175.76 175.17 3fct s SER 131 N -1.74 1.11 -0.15 0.00 0.01 -1.26 -1.75 113.70 109.91 3fct s SER 131 Ca 0.12 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 3fct s SER 131 Cb -0.10 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3fct s SER 131 CO 0.04 -0.17 0.02 -0.69 0.41 0.00 0.00 173.24 172.85 3fct s VAL 132 N 1.67 4.39 -0.12 3.43 1.01 -0.08 -3.40 120.40 127.31 3fct s VAL 132 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3fct s VAL 132 Cb -0.13 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3fct s VAL 132 CO -0.03 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.68 3fct s VAL 133 N 0.11 2.36 -0.13 2.92 1.01 0.16 -1.27 120.40 125.57 3fct s VAL 133 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3fct s VAL 133 Cb -0.13 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3fct s VAL 133 CO 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 175.48 3fct s LEU 135 N 0.53 2.99 -0.34 0.00 2.96 0.30 -0.95 118.68 124.17 3fct s LEU 135 Ca -0.11 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3fct s LEU 135 Cb -0.16 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.84 3fct s LEU 135 CO 0.04 0.11 0.12 -0.76 -1.32 0.00 0.00 176.35 174.53 3fct s LEU 136 N 0.73 4.36 -0.11 -0.68 1.02 0.53 0.12 118.68 124.65 3fct s LEU 136 Ca -0.03 -1.12 -0.01 0.00 0.02 0.00 0.00 54.13 52.99 3fct s LEU 136 Cb -0.15 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 3fct s LEU 136 CO 0.02 -0.33 -0.06 0.21 0.02 0.00 0.00 176.35 176.21 3fct s ASN 137 N 1.42 4.67 -0.48 2.29 2.47 0.16 0.35 114.94 125.83 3fct s ASN 137 Ca -0.01 -0.09 -0.29 0.00 0.42 0.00 0.00 52.86 52.89 3fct s ASN 137 Cb -0.19 -1.49 0.04 0.00 -1.45 0.00 0.00 41.25 38.15 3fct s ASN 137 CO 0.03 0.26 0.64 0.59 -3.72 0.00 0.00 177.10 174.91 3fct n ASN 138 N 2.92 -6.27 -4.05 -4.21 3.02 -0.63 -2.08 115.26 103.96 3fct n ASN 138 Ca -0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 3fct n ASN 138 Cb 0.53 -2.90 -0.09 0.00 -0.61 0.00 0.00 39.78 36.71 3fct n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3fct s PHE 139 N -1.96 0.60 -0.14 3.10 -0.12 -0.19 -4.53 117.98 114.74 3fct s PHE 139 Ca 0.31 -0.99 -0.24 0.00 -0.05 0.00 0.00 56.93 55.96 3fct s PHE 139 Cb -0.05 -0.28 0.06 0.00 -0.63 0.00 0.00 43.02 42.13 3fct s PHE 139 CO 0.84 -0.59 0.60 -0.47 -0.05 0.00 0.00 175.22 175.56 3fct s TYR 140 N -3.99 -0.61 1.29 3.49 6.14 -0.41 -0.85 117.35 122.42 3fct s TYR 140 Ca 0.18 1.30 -0.22 0.00 0.64 0.00 0.00 57.07 58.98 3fct s TYR 140 Cb 0.06 0.28 0.32 0.00 0.42 0.00 0.00 41.96 43.04 3fct s TYR 140 CO -0.01 -0.43 1.07 -0.35 0.64 0.00 0.00 175.55 176.46 3fct n PRO 141 N 1.92 -3.51 0.19 4.97 -0.04 -1.26 0.06 135.00 137.33 3fct n PRO 141 Ca -0.17 -1.72 0.14 0.00 -0.04 0.00 0.00 63.50 61.71 3fct n PRO 141 Cb 0.56 -1.71 0.47 0.00 -0.04 0.00 0.00 33.50 32.78 3fct n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3fct h ARG 142 N 0.00 0.00 -6.42 0.54 2.43 -1.98 -3.43 114.38 105.51 3fct h ARG 142 Ca -0.41 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.19 3fct h ARG 142 Cb 1.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 3fct h ARG 142 CO 0.27 0.00 1.10 -1.21 -1.51 0.00 0.00 179.97 178.62 3fct s GLU 143 N -3.35 3.61 0.06 0.20 8.01 -1.26 -4.97 118.70 121.00 3fct s GLU 143 Ca 0.05 1.17 0.02 0.00 0.01 0.00 0.00 54.97 56.22 3fct s GLU 143 Cb 0.09 -4.04 -0.03 0.00 -4.31 0.00 0.00 34.13 25.84 3fct s GLU 143 CO 0.54 -1.52 -0.07 0.00 0.01 0.00 0.00 175.26 174.22 3fct s ALA 144 N 5.52 0.68 -0.13 5.21 0.00 -1.26 -4.64 121.76 127.13 3fct s ALA 144 Ca 0.65 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 3fct s ALA 144 Cb -0.17 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.07 3fct s ALA 144 CO 0.31 -0.09 0.00 0.21 0.00 0.00 0.00 175.76 176.19 3fct s LYS 145 N -2.29 0.80 -0.13 0.00 2.36 -0.82 -5.03 119.74 114.61 3fct s LYS 145 Ca -0.03 -0.20 -0.06 0.00 -2.55 0.00 0.00 55.97 53.12 3fct s LYS 145 Cb -0.05 -1.59 -0.04 0.00 -1.05 0.00 0.00 37.83 35.10 3fct s LYS 145 CO -0.01 -0.45 0.09 0.08 1.55 0.00 0.00 175.35 176.61 3fct s VAL 146 N 1.87 5.10 -0.35 4.02 1.01 -1.26 -1.13 120.40 129.66 3fct s VAL 146 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3fct s VAL 146 Cb -0.14 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.10 3fct s VAL 146 CO -0.07 0.56 0.07 -1.58 0.00 0.00 0.00 175.10 174.09 3fct s GLN 147 N -0.55 1.36 0.05 2.72 2.00 0.12 -4.98 119.66 120.38 3fct s GLN 147 Ca 0.11 -1.78 -0.31 0.00 -2.00 0.00 0.00 55.36 51.39 3fct s GLN 147 Cb -0.12 -2.98 -0.06 0.00 0.80 0.00 0.00 33.01 30.66 3fct s GLN 147 CO 0.02 -0.96 1.22 -1.58 -0.50 0.00 0.00 175.29 173.49 3fct s TRP 148 N 0.96 3.38 -0.24 1.67 0.52 -1.26 -1.40 118.94 122.57 3fct s TRP 148 Ca 0.11 1.25 0.02 0.00 0.02 0.00 0.00 56.10 57.51 3fct s TRP 148 Cb -0.19 -3.44 0.05 0.00 -1.15 0.00 0.00 33.47 28.74 3fct s TRP 148 CO -0.11 -1.39 -0.11 0.21 0.02 0.00 0.00 176.95 175.57 3fct s LYS 149 N 1.22 2.21 -0.25 4.98 2.36 0.08 -3.41 119.74 126.94 3fct s LYS 149 Ca 0.59 -1.19 -0.07 0.00 -2.55 0.00 0.00 55.97 52.74 3fct s LYS 149 Cb -0.29 -2.77 -0.03 0.00 -1.05 0.00 0.00 37.83 33.69 3fct s LYS 149 CO 0.28 -0.52 0.07 0.14 1.55 0.00 0.00 175.35 176.88 3fct s VAL 150 N 1.19 4.35 -1.73 4.02 -7.23 -1.12 -1.36 120.40 118.52 3fct s VAL 150 Ca -0.06 -0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 3fct s VAL 150 Cb -0.19 -3.04 0.15 0.00 0.56 0.00 0.00 36.38 33.87 3fct s VAL 150 CO -0.06 0.34 0.57 0.47 -0.31 0.00 0.00 175.10 176.11 3fct n ASP 151 N 4.90 -1.87 -2.90 4.85 8.00 -0.07 -0.30 116.55 129.16 3fct n ASP 151 Ca -0.16 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.07 3fct n ASP 151 Cb 0.51 -2.18 0.07 0.00 -0.02 0.00 0.00 41.12 39.50 3fct n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fct n ASN 152 N -2.64 -2.68 -3.25 -2.24 3.02 -1.26 -5.01 115.26 101.19 3fct n ASN 152 Ca 0.00 -0.50 -0.04 0.00 -0.03 0.00 0.00 54.58 54.01 3fct n ASN 152 Cb 0.52 -4.14 -0.04 0.00 -0.61 0.00 0.00 39.78 35.52 3fct n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fct s ALA 153 N -3.29 -1.64 -0.81 5.41 0.00 0.59 -5.09 121.76 116.94 3fct s ALA 153 Ca 0.06 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.34 3fct s ALA 153 Cb -0.01 -2.24 -0.17 0.00 0.00 0.00 0.00 23.12 20.71 3fct s ALA 153 CO 0.57 -1.76 2.38 1.47 0.00 0.00 0.00 175.76 178.42 3fct n LEU 154 N 5.38 1.33 -4.53 0.00 -0.00 -1.26 -2.81 117.00 115.10 3fct n LEU 154 Ca 0.02 -1.28 -0.43 0.00 -0.00 0.00 0.00 56.01 54.32 3fct n LEU 154 Cb 0.51 -1.48 -0.06 0.00 -0.00 0.00 0.00 43.42 42.39 3fct n LEU 154 CO -0.03 -2.38 0.47 0.00 -0.00 0.00 0.00 177.39 175.45 3fct s GLN 155 N 8.61 3.37 0.00 1.47 1.03 -1.22 -5.02 119.66 127.89 3fct s GLN 155 Ca 1.00 -0.21 0.00 0.00 0.04 0.00 0.00 55.36 56.18 3fct s GLN 155 Cb -0.25 -3.94 0.00 0.00 0.03 0.00 0.00 33.01 28.85 3fct s GLN 155 CO 0.17 -1.05 0.00 -1.13 -2.54 0.00 0.00 175.29 170.74 3fct n SER 156 N 6.47 0.25 0.00 12.60 3.41 -1.26 -4.59 113.62 130.50 3fct n SER 156 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3fct n SER 156 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3fct n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fct n GLY 157 N 5.00 0.00 2.36 5.00 0.00 -1.26 -4.71 105.19 111.58 3fct n GLY 157 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3fct n GLY 157 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fct n ASN 158 N 0.19 0.85 -3.64 1.61 4.05 -1.26 -5.07 115.26 112.00 3fct n ASN 158 Ca 0.00 -2.94 -0.08 0.00 0.45 0.00 0.00 54.58 52.01 3fct n ASN 158 Cb 0.21 -0.48 -0.07 0.00 1.23 0.00 0.00 39.78 40.68 3fct n ASN 158 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3fct s SER 159 N -2.57 -0.56 -0.04 1.20 1.04 -1.26 -3.97 113.70 107.53 3fct s SER 159 Ca 0.35 1.01 0.06 0.00 0.48 0.00 0.00 55.95 57.85 3fct s SER 159 Cb 0.38 1.10 -0.01 0.00 0.10 0.00 0.00 66.02 67.59 3fct s SER 159 CO -0.04 -0.17 -0.22 -1.10 0.98 0.00 0.00 173.24 172.69 3fct s GLN 160 N 0.69 2.12 0.18 4.02 -0.21 -0.79 -4.92 119.66 120.74 3fct s GLN 160 Ca -0.02 -0.80 0.10 0.00 0.02 0.00 0.00 55.36 54.66 3fct s GLN 160 Cb -0.05 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 3fct s GLN 160 CO -0.09 0.39 -0.21 -1.83 -2.12 0.00 0.00 175.29 171.42 3fct s GLU 161 N -0.24 1.39 0.02 2.91 -1.05 -1.26 -0.08 118.70 120.39 3fct s GLU 161 Ca 0.01 -1.45 0.02 0.00 -0.15 0.00 0.00 54.97 53.40 3fct s GLU 161 Cb -0.11 -1.61 -0.01 0.00 -0.44 0.00 0.00 34.13 31.95 3fct s GLU 161 CO 0.02 0.34 -0.08 0.45 0.95 0.00 0.00 175.26 176.94 3fct s SER 162 N -2.62 0.92 -0.11 0.83 0.15 -0.77 -5.01 113.70 107.10 3fct s SER 162 Ca 0.18 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3fct s SER 162 Cb -0.07 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3fct s SER 162 CO 0.08 -0.03 -0.19 -0.69 1.20 0.00 0.00 173.24 173.61 3fct s VAL 163 N -0.70 2.56 0.72 4.45 1.01 -1.26 -2.74 120.40 124.43 3fct s VAL 163 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3fct s VAL 163 Cb -0.06 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.32 3fct s VAL 163 CO 0.00 0.55 1.07 0.42 0.00 0.00 0.00 175.10 177.14 3fct s THR 164 N 0.24 3.78 0.49 3.92 -4.23 -0.60 -5.00 115.64 114.23 3fct s THR 164 Ca -0.12 0.58 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 3fct s THR 164 Cb -0.16 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 3fct s THR 164 CO 0.07 -0.75 1.14 -0.70 -0.54 0.00 0.00 174.62 173.83 3fct s GLU 165 N -5.07 3.64 0.17 3.99 2.56 -1.26 -4.59 118.70 118.15 3fct s GLU 165 Ca 0.59 1.69 -0.33 0.00 0.00 0.00 0.00 54.97 56.92 3fct s GLU 165 Cb -0.14 -2.26 -0.15 0.00 2.00 0.00 0.00 34.13 33.57 3fct s GLU 165 CO 0.55 -0.63 1.20 0.94 -0.56 0.00 0.00 175.26 176.76 3fct n GLN 166 N -0.76 1.26 -1.82 4.30 7.27 -1.26 -4.82 117.38 121.54 3fct n GLN 166 Ca 0.09 0.45 -0.42 0.00 0.07 0.00 0.00 57.00 57.19 3fct n GLN 166 Cb 0.49 -1.98 -0.03 0.00 2.41 0.00 0.00 30.24 31.14 3fct n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3fct s ASP 167 N 0.06 6.48 0.63 1.69 -1.08 0.85 -4.90 116.67 120.41 3fct s ASP 167 Ca 0.73 2.72 0.30 0.00 -0.52 0.00 0.00 52.55 55.78 3fct s ASP 167 Cb -0.84 -2.59 1.59 0.00 -1.46 0.00 0.00 42.92 39.62 3fct s ASP 167 CO 0.51 -0.91 1.93 -1.28 0.52 0.00 0.00 175.17 175.94 3fct h SER 168 N 7.19 0.00 0.00 -0.34 0.87 -1.88 -1.78 113.55 117.61 3fct h SER 168 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3fct h SER 168 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3fct h SER 168 CO 0.94 0.00 -0.14 0.29 -0.53 0.00 0.00 176.83 177.39 3fct n LYS 169 N -3.24 0.08 -0.35 2.24 5.02 -1.26 -3.27 118.16 117.38 3fct n LYS 169 Ca 0.02 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.32 3fct n LYS 169 Cb 0.46 -0.51 0.11 0.00 -0.02 0.00 0.00 35.03 35.08 3fct n LYS 169 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3fct h ASP 170 N -0.14 1.06 0.00 4.39 3.32 -1.97 -3.46 116.42 119.62 3fct h ASP 170 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3fct h ASP 170 Cb 0.14 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3fct h ASP 170 CO 0.00 0.75 0.00 -1.20 -1.72 0.00 0.00 179.24 177.07 3fct n SER 171 N -4.45 -2.57 -4.81 6.45 7.64 -0.67 -4.99 113.62 110.22 3fct n SER 171 Ca 0.12 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 3fct n SER 171 Cb 0.05 -0.43 0.09 0.00 -1.01 0.00 0.00 64.21 62.91 3fct n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fct s THR 172 N -2.00 2.10 0.30 0.44 -4.23 -1.26 -4.60 115.64 106.39 3fct s THR 172 Ca 0.00 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 3fct s THR 172 Cb 0.00 -2.33 -0.06 0.00 1.34 0.00 0.00 72.50 71.45 3fct s THR 172 CO 0.00 0.00 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.77 3fct s TYR 173 N -2.96 1.95 -0.04 3.99 2.02 -0.03 -0.11 117.35 122.18 3fct s TYR 173 Ca 0.65 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 3fct s TYR 173 Cb -0.05 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 3fct s TYR 173 CO 0.42 0.15 0.15 -1.12 -1.57 0.00 0.00 175.55 173.59 3fct s SER 174 N -3.46 -0.11 -0.01 2.29 0.01 -1.26 -1.02 113.70 110.13 3fct s SER 174 Ca 0.32 0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 3fct s SER 174 Cb 0.06 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.58 3fct s SER 174 CO 0.13 -0.13 0.04 -0.22 0.41 0.00 0.00 173.24 173.47 3fct s LEU 175 N -0.27 1.87 0.03 2.44 0.20 0.16 -1.56 118.68 121.55 3fct s LEU 175 Ca -0.04 -0.01 0.07 0.00 0.69 0.00 0.00 54.13 54.84 3fct s LEU 175 Cb -0.03 0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.89 3fct s LEU 175 CO 0.00 -0.08 -0.19 -0.94 -0.29 0.00 0.00 176.35 174.86 3fct s SER 176 N -0.26 2.30 -0.11 3.68 1.04 -1.11 0.20 113.70 119.44 3fct s SER 176 Ca -0.03 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 55.97 3fct s SER 176 Cb -0.02 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3fct s SER 176 CO -0.00 0.17 -0.22 -0.55 0.98 0.00 0.00 173.24 173.62 3fct s SER 177 N -0.95 2.92 -0.25 7.02 0.15 -0.12 -1.85 113.70 120.62 3fct s SER 177 Ca 0.07 -0.54 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 3fct s SER 177 Cb -0.08 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 3fct s SER 177 CO 0.01 0.11 0.05 -0.89 1.20 0.00 0.00 173.24 173.72 3fct s THR 178 N 0.57 4.14 -0.39 6.45 2.01 0.89 -2.33 115.64 126.98 3fct s THR 178 Ca -0.14 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 3fct s THR 178 Cb -0.17 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.41 3fct s THR 178 CO 0.04 0.33 0.38 -0.22 -0.69 0.00 0.00 174.62 174.47 3fct s LEU 179 N 1.59 4.78 -0.40 4.42 2.96 -0.39 -1.89 118.68 129.74 3fct s LEU 179 Ca 0.06 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.28 3fct s LEU 179 Cb -0.15 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.28 3fct s LEU 179 CO 0.02 -0.47 0.25 0.42 -1.32 0.00 0.00 176.35 175.25 3fct s THR 180 N 2.00 4.47 0.18 3.68 -4.23 -1.25 -0.91 115.64 119.57 3fct s THR 180 Ca 0.10 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 59.56 3fct s THR 180 Cb -0.17 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3fct s THR 180 CO 0.12 -0.39 -0.17 -1.48 -0.54 0.00 0.00 174.62 172.16 3fct s LEU 181 N 1.50 2.48 0.34 4.79 0.05 -0.72 -4.95 118.68 122.18 3fct s LEU 181 Ca 0.02 -0.91 -0.28 0.00 0.05 0.00 0.00 54.13 53.01 3fct s LEU 181 Cb -0.21 -0.78 -0.12 0.00 -2.05 0.00 0.00 46.19 43.02 3fct s LEU 181 CO 0.04 -0.08 1.33 -1.20 -0.55 0.00 0.00 176.35 175.90 3fct n SER 182 N 0.06 2.94 0.17 1.48 7.64 -1.26 -1.37 113.62 123.27 3fct n SER 182 Ca -0.11 1.21 0.07 0.00 1.01 0.00 0.00 58.87 61.04 3fct n SER 182 Cb 0.58 -1.50 0.57 0.00 -1.01 0.00 0.00 64.21 62.84 3fct n SER 182 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3fct h LYS 183 N 2.72 0.18 0.45 1.43 3.11 -0.81 0.46 116.57 124.12 3fct h LYS 183 Ca -0.47 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.34 3fct h LYS 183 Cb 1.28 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 3fct h LYS 183 CO 0.64 0.12 -0.22 0.00 -2.81 0.00 0.00 179.45 177.18 3fct h ALA 184 N 1.91 -0.61 0.00 5.00 0.00 -1.89 -3.01 119.26 120.65 3fct h ALA 184 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fct h ALA 184 Cb -0.01 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fct h ALA 184 CO -0.01 -0.69 -0.04 -0.44 0.00 0.00 0.00 179.25 178.07 3fct h ASP 185 N -0.91 0.00 0.54 0.00 5.19 -1.68 0.15 116.42 119.71 3fct h ASP 185 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3fct h ASP 185 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3fct h ASP 185 CO 0.10 0.04 0.00 0.22 -3.12 0.00 0.00 179.24 176.48 3fct h TYR 186 N 0.00 0.00 0.00 4.55 3.20 0.01 -2.86 116.97 121.87 3fct h TYR 186 Ca -0.00 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 3fct h TYR 186 Cb 0.19 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3fct h TYR 186 CO 0.00 0.00 -0.99 0.93 -1.64 0.00 0.00 178.16 176.46 3fct h GLU 187 N 0.00 0.00 -0.79 1.82 4.39 -0.97 -3.36 114.58 115.67 3fct h GLU 187 Ca 0.00 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.93 3fct h GLU 187 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3fct h GLU 187 CO 0.00 0.98 0.57 0.87 -1.16 0.00 0.00 179.01 180.27 3fct h LYS 188 N -1.00 0.03 -6.36 2.33 1.57 -1.45 -3.41 116.57 108.28 3fct h LYS 188 Ca -0.27 -0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.05 3fct h LYS 188 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3fct h LYS 188 CO -0.16 0.02 -0.32 -1.01 -0.57 0.00 0.00 179.45 177.41 3fct s HIS 189 N -5.02 3.30 0.00 -1.35 3.76 -1.10 -5.03 115.29 109.84 3fct s HIS 189 Ca -0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 3fct s HIS 189 Cb 0.21 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 32.02 3fct s HIS 189 CO 0.76 0.11 0.00 1.17 -0.85 0.00 0.00 174.74 175.93 3fct n LYS 190 N -1.64 0.37 -3.29 1.40 4.81 -1.26 -4.91 118.16 113.63 3fct n LYS 190 Ca -0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 3fct n LYS 190 Cb 0.57 -0.56 -0.08 0.00 0.02 0.00 0.00 35.03 34.98 3fct n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fct s VAL 191 N -1.13 5.06 -0.30 3.15 1.01 -1.26 -4.87 120.40 122.06 3fct s VAL 191 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3fct s VAL 191 Cb 0.00 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.52 3fct s VAL 191 CO 0.00 -0.18 -0.03 -0.31 0.00 0.00 0.00 175.10 174.59 3fct s TYR 192 N 2.29 3.38 0.03 5.22 2.02 -1.26 -0.89 117.35 128.13 3fct s TYR 192 Ca 0.17 -2.31 0.05 0.00 -0.37 0.00 0.00 57.07 54.61 3fct s TYR 192 Cb -0.16 -2.25 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3fct s TYR 192 CO 0.13 -0.88 -0.14 0.00 -1.57 0.00 0.00 175.55 173.09 3fct s ALA 193 N 1.12 1.19 -0.26 3.71 0.00 -0.47 -3.85 121.76 123.19 3fct s ALA 193 Ca -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 3fct s ALA 193 Cb -0.20 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3fct s ALA 193 CO -0.04 0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.92 3fct s GLU 195 N 1.34 3.16 -0.14 0.00 -6.30 -0.49 -2.99 118.70 113.28 3fct s GLU 195 Ca 0.00 -0.83 -0.07 0.00 -2.50 0.00 0.00 54.97 51.57 3fct s GLU 195 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 34.13 30.39 3fct s GLU 195 CO -0.03 -0.48 0.10 0.08 0.02 0.00 0.00 175.26 174.95 3fct s VAL 196 N 1.56 5.16 0.04 3.70 1.01 0.78 0.10 120.40 132.75 3fct s VAL 196 Ca 0.03 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.19 3fct s VAL 196 Cb -0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3fct s VAL 196 CO 0.05 0.55 -0.25 -0.89 0.00 0.00 0.00 175.10 174.56 3fct s THR 197 N -0.44 1.99 0.00 3.92 2.01 -0.28 -1.81 115.64 121.03 3fct s THR 197 Ca 0.11 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.80 3fct s THR 197 Cb -0.12 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.69 3fct s THR 197 CO 0.02 0.34 0.00 1.57 -0.69 0.00 0.00 174.62 175.85 3fct n HIS 198 N 1.86 0.00 -0.43 4.92 -0.00 -1.26 -1.95 115.22 118.35 3fct n HIS 198 Ca -0.17 0.00 0.40 0.00 0.46 0.00 0.00 57.72 58.41 3fct n HIS 198 Cb 0.52 0.00 0.70 0.00 -0.12 0.00 0.00 29.99 31.09 3fct n HIS 198 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3fct h GLN 199 N 0.00 0.00 0.00 1.57 4.15 -1.93 0.33 115.11 119.23 3fct h GLN 199 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3fct h GLN 199 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3fct h GLN 199 CO 0.00 0.00 -0.17 0.78 -1.93 0.00 0.00 178.83 177.51 3fct h GLY 200 N 0.00 0.00 -7.19 2.39 0.00 -1.84 -3.41 103.07 93.01 3fct h GLY 200 Ca 0.68 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.36 3fct h GLY 200 CO -0.01 0.00 -0.65 1.08 0.00 0.00 0.00 176.54 176.96 3fct s LEU 201 N -7.00 3.30 0.36 3.11 1.43 0.12 -4.63 118.68 115.37 3fct s LEU 201 Ca -0.01 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3fct s LEU 201 Cb 0.12 -1.87 0.77 0.00 0.03 0.00 0.00 46.19 45.23 3fct s LEU 201 CO 0.60 -0.03 1.94 0.28 0.23 0.00 0.00 176.35 179.37 3fct h SER 202 N 8.20 0.65 -3.99 2.29 0.02 -1.83 -3.41 113.55 115.48 3fct h SER 202 Ca -0.39 0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.20 3fct h SER 202 Cb 1.17 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 63.30 3fct h SER 202 CO 0.59 0.40 -0.77 -0.44 -1.14 0.00 0.00 176.83 175.47 3fct s SER 203 N -6.13 0.89 0.34 3.07 0.01 -1.26 -5.12 113.70 105.50 3fct s SER 203 Ca -0.10 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.75 3fct s SER 203 Cb 0.20 -0.10 -0.12 0.00 0.21 0.00 0.00 66.02 66.21 3fct s SER 203 CO 0.77 0.09 1.18 -2.65 0.41 0.00 0.00 173.24 173.05 3fct n PRO 204 N 2.89 1.82 -4.10 12.44 -0.02 -1.26 -4.99 135.00 141.78 3fct n PRO 204 Ca -0.13 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.72 3fct n PRO 204 Cb 0.57 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 3fct n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fct s VAL 205 N -1.11 4.34 -0.02 -1.45 1.01 -0.75 -4.89 120.40 117.53 3fct s VAL 205 Ca 0.57 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3fct s VAL 205 Cb -0.60 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3fct s VAL 205 CO 0.61 -0.05 0.24 0.42 0.00 0.00 0.00 175.10 176.31 3fct s THR 206 N -1.65 0.06 0.01 3.92 -4.23 -1.26 -0.16 115.64 112.33 3fct s THR 206 Ca 0.30 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3fct s THR 206 Cb -0.10 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.22 3fct s THR 206 CO 0.22 -0.27 0.03 -0.54 -0.54 0.00 0.00 174.62 173.52 3fct s LYS 207 N -1.15 0.33 0.39 3.99 1.02 -1.16 -4.99 119.74 118.15 3fct s LYS 207 Ca -0.12 -0.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 3fct s LYS 207 Cb -0.06 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.42 3fct s LYS 207 CO 0.03 -0.06 0.70 0.43 -0.92 0.00 0.00 175.35 175.53 3fct n SER 208 N 1.78 -2.03 -4.15 2.83 7.64 -1.26 -2.66 113.62 115.76 3fct n SER 208 Ca -0.22 -2.71 -0.11 0.00 1.01 0.00 0.00 58.87 56.84 3fct n SER 208 Cb 0.56 3.47 -0.10 0.00 -1.01 0.00 0.00 64.21 67.13 3fct n SER 208 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3fct s PHE 209 N -2.36 0.94 0.06 1.43 -0.12 -1.25 -5.08 117.98 111.59 3fct s PHE 209 Ca 0.20 -1.25 0.09 0.00 -0.05 0.00 0.00 56.93 55.92 3fct s PHE 209 Cb -0.04 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 3fct s PHE 209 CO 0.15 -0.58 -0.26 -0.80 -0.05 0.00 0.00 175.22 173.68 3fct s ASN 210 N -3.08 3.14 0.00 1.98 0.01 -1.26 -4.60 114.94 111.12 3fct s ASN 210 Ca 0.29 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 3fct s ASN 210 Cb 0.07 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.46 3fct s ASN 210 CO 0.06 0.23 0.00 0.54 -1.51 0.00 0.00 177.10 176.42 3fct n ARG 211 N 1.61 0.00 -0.10 -0.60 1.74 -1.26 -4.94 116.66 113.11 3fct n ARG 211 Ca -0.17 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.95 3fct n ARG 211 Cb 0.52 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.09 3fct n ARG 211 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3fct n ASN 212 N -0.02 1.11 -0.64 0.55 6.94 -1.26 -5.30 115.26 116.65 3fct n ASN 212 Ca 0.00 -1.96 0.13 0.00 -0.02 0.00 0.00 54.58 52.73 3fct n ASN 212 Cb 0.00 -0.13 0.38 0.00 -2.36 0.00 0.00 39.78 37.67 3fct n ASN 212 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39