#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mre s VAL 2 N 0.00 5.04 -0.14 2.53 1.01 -1.26 -5.04 120.40 122.54 1mre s VAL 2 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1mre s VAL 2 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1mre s VAL 2 CO 0.00 -0.06 1.06 0.54 0.00 0.00 0.00 175.10 176.64 1mre s VAL 3 N 2.36 4.65 -0.16 2.92 0.11 -1.26 -4.78 120.40 124.24 1mre s VAL 3 Ca 0.20 1.95 -0.11 0.00 -2.93 0.00 0.00 61.98 61.09 1mre s VAL 3 Cb -0.15 -4.25 -0.05 0.00 -1.53 0.00 0.00 36.38 30.39 1mre s VAL 3 CO 0.11 -0.06 0.20 -0.04 -3.33 0.00 0.00 175.10 171.98 1mre s MET 4 N 2.48 4.02 -0.21 1.54 -1.94 -1.26 -0.90 119.30 123.03 1mre s MET 4 Ca 0.48 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.41 1mre s MET 4 Cb -0.18 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.34 1mre s MET 4 CO 0.15 0.41 -0.12 0.99 -0.01 0.00 0.00 175.02 176.44 1mre s THR 5 N -0.01 1.80 0.07 2.05 2.01 0.17 -4.43 115.64 117.30 1mre s THR 5 Ca 0.13 -1.12 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1mre s THR 5 Cb -0.12 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1mre s THR 5 CO 0.02 0.18 0.29 -1.10 -0.69 0.00 0.00 174.62 173.33 1mre s GLN 6 N 1.32 3.56 -0.11 4.92 -0.21 -1.26 -0.72 119.66 127.16 1mre s GLN 6 Ca -0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.12 1mre s GLN 6 Cb -0.16 -2.98 0.04 0.00 1.00 0.00 0.00 33.01 30.90 1mre s GLN 6 CO -0.08 0.57 0.26 0.95 -2.12 0.00 0.00 175.29 174.87 1mre s THR 7 N -1.49 -0.03 0.66 -0.19 -4.23 -0.82 -4.59 115.64 104.95 1mre s THR 7 Ca 0.34 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1mre s THR 7 Cb -0.13 -0.39 0.14 0.00 1.34 0.00 0.00 72.50 73.47 1mre s THR 7 CO 0.22 0.04 0.90 -0.81 -0.54 0.00 0.00 174.62 174.43 1mre n PRO 8 N 3.85 -0.48 0.09 3.99 -0.04 -1.26 -0.54 135.00 140.62 1mre n PRO 8 Ca -0.21 -1.84 -0.18 0.00 -0.04 0.00 0.00 63.50 61.23 1mre n PRO 8 Cb 0.55 -0.78 -0.11 0.00 -0.04 0.00 0.00 33.50 33.11 1mre n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1mre h LEU 9 N 0.00 0.62 -7.89 1.53 6.46 -1.85 -3.41 115.31 110.77 1mre h LEU 9 Ca -0.29 -0.58 -0.18 0.00 -0.12 0.00 0.00 57.88 56.71 1mre h LEU 9 Cb 0.93 -0.20 -0.22 0.00 -0.73 0.00 0.00 40.66 40.44 1mre h LEU 9 CO 0.25 1.42 -0.67 -0.94 -0.62 0.00 0.00 178.44 177.89 1mre s SER 10 N -7.25 0.15 -0.30 1.25 1.04 -1.26 -1.43 113.70 105.91 1mre s SER 10 Ca -0.06 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1mre s SER 10 Cb 0.07 0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.40 1mre s SER 10 CO 0.90 -0.25 0.11 -0.22 0.98 0.00 0.00 173.24 174.76 1mre s LEU 11 N -1.15 1.53 0.08 2.42 0.20 0.95 -4.90 118.68 117.82 1mre s LEU 11 Ca -0.13 -1.48 -0.30 0.00 0.69 0.00 0.00 54.13 52.91 1mre s LEU 11 Cb -0.08 -0.65 -0.05 0.00 -0.43 0.00 0.00 46.19 44.98 1mre s LEU 11 CO -0.00 -0.42 1.07 -2.16 -0.29 0.00 0.00 176.35 174.54 1mre s PRO 12 N 1.82 4.56 -0.21 0.98 0.04 -1.25 -0.24 135.00 140.71 1mre s PRO 12 Ca 0.09 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1mre s PRO 12 Cb -0.17 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.06 1mre s PRO 12 CO -0.30 -0.03 0.58 0.54 0.04 0.00 0.00 177.00 177.84 1mre s VAL 13 N 0.51 0.00 0.53 -0.36 0.11 0.13 -4.90 120.40 116.42 1mre s VAL 13 Ca 0.52 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.41 1mre s VAL 13 Cb -0.26 -0.81 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 1mre s VAL 13 CO 0.30 -0.01 0.98 -0.44 -3.33 0.00 0.00 175.10 172.61 1mre s SER 14 N 0.22 6.54 0.45 3.54 0.01 -1.26 -0.71 113.70 122.48 1mre s SER 14 Ca -0.01 1.51 -0.24 0.00 1.31 0.00 0.00 55.95 58.52 1mre s SER 14 Cb -0.04 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1mre s SER 14 CO 0.01 -0.63 1.23 -0.76 0.41 0.00 0.00 173.24 173.51 1mre s LEU 15 N -4.27 4.08 0.00 2.44 1.02 -1.26 -2.68 118.68 118.01 1mre s LEU 15 Ca 0.58 2.48 0.00 0.00 0.02 0.00 0.00 54.13 57.20 1mre s LEU 15 Cb -0.10 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 42.00 1mre s LEU 15 CO 0.36 -0.95 0.00 0.61 0.02 0.00 0.00 176.35 176.38 1mre n GLY 16 N 0.59 2.78 3.59 -3.19 0.00 0.06 -4.92 105.19 104.10 1mre n GLY 16 Ca 0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1mre n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mre s ASP 17 N 0.30 0.89 0.01 1.61 1.11 -1.09 -4.16 116.67 115.35 1mre s ASP 17 Ca 0.00 0.61 -0.01 0.00 0.18 0.00 0.00 52.55 53.33 1mre s ASP 17 Cb 0.00 -0.84 -0.04 0.00 1.07 0.00 0.00 42.92 43.11 1mre s ASP 17 CO 0.00 -4.14 0.14 -1.58 1.18 0.00 0.00 175.17 170.77 1mre s GLN 18 N -5.43 3.23 -0.00 8.23 0.74 -1.25 0.21 119.66 125.40 1mre s GLN 18 Ca 0.71 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.69 1mre s GLN 18 Cb -0.09 -2.96 -0.00 0.00 1.10 0.00 0.00 33.01 31.06 1mre s GLN 18 CO 0.56 0.64 -0.02 0.00 -0.55 0.00 0.00 175.29 175.93 1mre s ALA 19 N -1.31 0.15 -0.03 1.58 0.00 -0.10 -4.97 121.76 117.10 1mre s ALA 19 Ca 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1mre s ALA 19 Cb -0.12 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1mre s ALA 19 CO 0.19 0.03 -0.08 -1.54 0.00 0.00 0.00 175.76 174.36 1mre s SER 20 N 0.00 1.12 -0.09 0.00 1.04 -1.26 -0.66 113.70 113.85 1mre s SER 20 Ca 0.00 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1mre s SER 20 Cb -0.01 -0.32 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1mre s SER 20 CO -0.00 0.05 -0.20 -0.63 0.98 0.00 0.00 173.24 173.43 1mre s ILE 21 N 0.28 2.44 0.27 -1.02 1.01 -0.24 -4.78 121.20 119.15 1mre s ILE 21 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.78 1mre s ILE 21 Cb -0.09 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1mre s ILE 21 CO 0.00 0.56 0.19 -0.55 0.00 0.00 0.00 174.94 175.14 1mre s SER 22 N 0.04 5.38 -0.22 3.58 0.15 0.30 -1.33 113.70 121.59 1mre s SER 22 Ca -0.08 -0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 1mre s SER 22 Cb -0.15 -1.28 0.09 0.00 -1.71 0.00 0.00 66.02 62.97 1mre s SER 22 CO 0.05 -0.08 0.51 0.00 1.20 0.00 0.00 173.24 174.92 1mre s ARG 24 N 2.22 2.09 0.14 0.00 3.00 0.10 -0.97 118.95 125.53 1mre s ARG 24 Ca -0.06 -1.01 0.09 0.00 0.00 0.00 0.00 55.73 54.75 1mre s ARG 24 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 34.95 32.55 1mre s ARG 24 CO -0.15 0.52 -0.22 -1.54 0.00 0.00 0.00 175.30 173.90 1mre s SER 25 N -1.96 2.91 0.47 0.23 1.04 -0.59 0.45 113.70 116.24 1mre s SER 25 Ca 0.19 -0.77 0.14 0.00 0.48 0.00 0.00 55.95 55.99 1mre s SER 25 Cb -0.11 -0.18 1.07 0.00 0.10 0.00 0.00 66.02 66.90 1mre s SER 25 CO 0.11 0.08 2.04 0.77 0.98 0.00 0.00 173.24 177.21 1mre h SER 26 N 3.70 0.02 -4.12 7.02 4.64 -1.35 -3.44 113.55 120.02 1mre h SER 26 Ca -0.47 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.55 1mre h SER 26 Cb 1.19 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1mre h SER 26 CO 0.43 0.14 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.72 1mre s GLN 27 N -4.80 1.00 0.38 4.77 -0.21 -1.26 -5.01 119.66 114.53 1mre s GLN 27 Ca -0.04 -1.41 -0.28 0.00 0.02 0.00 0.00 55.36 53.65 1mre s GLN 27 Cb 0.16 -0.53 -0.11 0.00 1.00 0.00 0.00 33.01 33.53 1mre s GLN 27 CO 0.69 0.06 1.48 0.45 -2.12 0.00 0.00 175.29 175.85 1mre n SER 27 N -0.12 3.75 -1.60 5.90 2.88 -1.26 -4.74 113.62 118.43 1mre n SER 27 Ca -0.11 1.22 0.07 0.00 -1.33 0.00 0.00 58.87 58.73 1mre n SER 27 Cb 0.60 -1.62 0.34 0.00 -0.75 0.00 0.00 64.21 62.79 1mre n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mre n LEU 27 N 0.43 4.77 -4.67 2.46 4.32 0.46 -4.91 117.00 119.87 1mre n LEU 27 Ca 0.01 -2.41 -0.41 0.00 -0.02 0.00 0.00 56.01 53.19 1mre n LEU 27 Cb 0.39 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.53 1mre n LEU 27 CO 0.64 0.67 0.49 -0.69 -1.22 0.00 0.00 177.39 177.27 1mre s VAL 27 N -2.17 4.96 0.51 4.08 1.01 -1.26 -3.49 120.40 124.04 1mre s VAL 27 Ca 0.47 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.71 1mre s VAL 27 Cb 0.33 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1mre s VAL 27 CO 0.19 0.09 0.99 -2.28 0.00 0.00 0.00 175.10 174.08 1mre s HIS 27 N 1.89 3.44 -0.44 5.22 2.46 0.77 -4.93 115.29 123.69 1mre s HIS 27 Ca 0.34 1.47 0.17 0.00 0.47 0.00 0.00 55.06 57.51 1mre s HIS 27 Cb -0.16 -2.80 0.86 0.00 -0.13 0.00 0.00 32.58 30.35 1mre s HIS 27 CO 0.12 -0.37 1.51 -1.13 -2.47 0.00 0.00 174.74 172.39 1mre n SER 27 N -1.55 0.42 -1.18 9.88 3.41 -1.26 -0.87 113.62 122.47 1mre n SER 27 Ca 0.07 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.42 1mre n SER 27 Cb 0.54 -0.74 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 1mre n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1mre n ASN 28 N -2.06 3.43 0.00 4.04 6.94 -1.26 -4.93 115.26 121.42 1mre n ASN 28 Ca -0.01 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 1mre n ASN 28 Cb 0.05 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1mre n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mre n GLY 29 N 0.83 2.59 3.81 4.83 0.00 -0.05 -5.03 105.19 112.18 1mre n GLY 29 Ca 0.18 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1mre n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mre s ASN 30 N 0.38 5.63 -0.25 1.61 0.01 -1.26 -4.67 114.94 116.39 1mre s ASN 30 Ca 0.00 1.70 0.02 0.00 -0.71 0.00 0.00 52.86 53.88 1mre s ASN 30 Cb 0.00 -2.51 0.06 0.00 0.41 0.00 0.00 41.25 39.21 1mre s ASN 30 CO 0.00 -1.27 -0.10 -0.89 -1.51 0.00 0.00 177.10 173.33 1mre s THR 31 N -2.76 2.03 -1.24 1.60 2.01 -1.26 -0.17 115.64 115.85 1mre s THR 31 Ca 0.61 -1.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 1mre s THR 31 Cb -0.15 -2.17 0.19 0.00 0.01 0.00 0.00 72.50 70.39 1mre s THR 31 CO 0.46 -0.03 1.92 -1.22 -0.69 0.00 0.00 174.62 175.05 1mre n TYR 32 N 4.49 2.72 -4.45 4.92 4.01 -1.23 -4.16 117.16 123.46 1mre n TYR 32 Ca -0.14 -2.74 -0.34 0.00 -0.16 0.00 0.00 57.90 54.52 1mre n TYR 32 Cb 0.43 -1.76 -0.12 0.00 -0.31 0.00 0.00 39.34 37.57 1mre n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1mre s LEU 33 N -1.24 3.21 0.34 7.72 1.98 -1.26 -1.82 118.68 127.60 1mre s LEU 33 Ca 0.41 -0.13 0.04 0.00 -2.89 0.00 0.00 54.13 51.57 1mre s LEU 33 Cb 0.11 -1.76 -0.07 0.00 0.66 0.00 0.00 46.19 45.14 1mre s LEU 33 CO -0.00 0.19 0.04 -1.00 -1.89 0.00 0.00 176.35 173.69 1mre s HIS 34 N 0.21 2.05 -0.02 5.38 3.76 -0.08 -0.48 115.29 126.12 1mre s HIS 34 Ca -0.03 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 1mre s HIS 34 Cb -0.14 -1.35 0.02 0.00 1.11 0.00 0.00 32.58 32.21 1mre s HIS 34 CO 0.03 0.09 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.40 1mre s TRP 35 N -3.19 0.49 0.21 1.40 0.52 0.27 -1.34 118.94 117.30 1mre s TRP 35 Ca 0.36 -0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.46 1mre s TRP 35 Cb 0.09 -0.44 -0.05 0.00 -1.15 0.00 0.00 33.47 31.92 1mre s TRP 35 CO 0.16 -0.11 -0.11 0.71 0.02 0.00 0.00 176.95 177.62 1mre s TYR 36 N 0.60 1.65 -0.05 -1.98 1.51 -0.16 -0.99 117.35 117.93 1mre s TYR 36 Ca -0.07 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.36 1mre s TYR 36 Cb -0.10 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1mre s TYR 36 CO -0.01 0.27 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.44 1mre s LEU 37 N -3.31 1.61 -0.19 -1.29 2.96 0.43 -1.74 118.68 117.15 1mre s LEU 37 Ca 0.23 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1mre s LEU 37 Cb 0.01 -0.67 0.04 0.00 0.50 0.00 0.00 46.19 46.07 1mre s LEU 37 CO 0.07 0.02 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.41 1mre s GLN 38 N 0.59 2.23 0.09 1.98 0.74 -0.26 -0.49 119.66 124.54 1mre s GLN 38 Ca -0.11 -0.80 -0.17 0.00 0.05 0.00 0.00 55.36 54.33 1mre s GLN 38 Cb -0.14 -2.38 -0.07 0.00 1.10 0.00 0.00 33.01 31.52 1mre s GLN 38 CO 0.02 -0.36 0.55 0.15 -0.55 0.00 0.00 175.29 175.10 1mre s LYS 39 N 1.39 4.10 -0.08 1.67 1.02 -1.26 -2.04 119.74 124.54 1mre s LYS 39 Ca 0.01 0.63 -0.41 0.00 0.02 0.00 0.00 55.97 56.21 1mre s LYS 39 Cb -0.15 -3.14 -0.20 0.00 -0.52 0.00 0.00 37.83 33.82 1mre s LYS 39 CO -0.09 0.59 1.16 -0.35 -0.92 0.00 0.00 175.35 175.74 1mre n PRO 40 N 1.44 0.02 -1.10 -1.68 -0.04 -1.26 -1.04 135.00 131.34 1mre n PRO 40 Ca -0.09 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1mre n PRO 40 Cb 0.51 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1mre n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mre n GLY 41 N 1.92 0.63 3.34 0.55 0.00 -1.26 -5.01 105.19 105.36 1mre n GLY 41 Ca 0.22 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1mre n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mre s GLN 42 N -1.63 1.38 0.51 1.61 -0.21 -0.20 -5.15 119.66 115.95 1mre s GLN 42 Ca 0.00 -1.71 -0.08 0.00 0.02 0.00 0.00 55.36 53.59 1mre s GLN 42 Cb 0.00 -0.60 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 1mre s GLN 42 CO 0.00 -0.13 0.86 -1.54 -2.12 0.00 0.00 175.29 172.36 1mre s SER 43 N -3.33 6.31 0.67 5.90 1.04 -1.26 -4.63 113.70 118.41 1mre s SER 43 Ca 0.30 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.69 1mre s SER 43 Cb 0.06 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.85 1mre s SER 43 CO 0.10 -0.63 1.27 -2.84 0.98 0.00 0.00 173.24 172.13 1mre s PRO 44 N -4.68 2.40 -0.05 4.02 0.02 -1.26 -4.60 135.00 130.85 1mre s PRO 44 Ca 0.51 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.56 1mre s PRO 44 Cb -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1mre s PRO 44 CO 0.44 -1.69 -0.14 0.15 -0.33 0.00 0.00 177.00 175.43 1mre s LYS 45 N -3.52 1.68 0.14 5.54 -0.14 0.36 -4.92 119.74 118.87 1mre s LYS 45 Ca 0.81 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 54.61 1mre s LYS 45 Cb -0.36 -1.43 -0.07 0.00 -1.68 0.00 0.00 37.83 34.30 1mre s LYS 45 CO 0.41 0.14 1.15 -1.17 -0.76 0.00 0.00 175.35 175.13 1mre s LEU 46 N 0.29 4.44 -0.01 3.17 2.96 -1.26 -0.43 118.68 127.84 1mre s LEU 46 Ca -0.08 2.09 -0.02 0.00 -0.22 0.00 0.00 54.13 55.90 1mre s LEU 46 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1mre s LEU 46 CO 0.03 -0.34 -0.04 0.18 -1.32 0.00 0.00 176.35 174.86 1mre n LEU 47 N 2.94 0.27 -4.44 -0.68 4.32 -0.16 -4.72 117.00 114.53 1mre n LEU 47 Ca 0.05 0.04 -0.33 0.00 -0.02 0.00 0.00 56.01 55.76 1mre n LEU 47 Cb 0.46 -0.36 -0.13 0.00 -1.62 0.00 0.00 43.42 41.77 1mre n LEU 47 CO 0.55 -0.49 -0.45 -0.63 -1.22 0.00 0.00 177.39 175.14 1mre s ILE 48 N -1.26 3.04 0.04 -0.08 1.09 -1.19 -0.64 121.20 122.21 1mre s ILE 48 Ca -0.03 -0.71 0.07 0.00 -1.10 0.00 0.00 60.65 58.87 1mre s ILE 48 Cb 0.00 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.17 1mre s ILE 48 CO 0.04 0.57 -0.19 -0.72 -0.10 0.00 0.00 174.94 174.55 1mre s TYR 49 N -0.43 1.63 -1.17 3.97 1.13 -0.17 -0.56 117.35 121.74 1mre s TYR 49 Ca 0.05 -0.37 -0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1mre s TYR 49 Cb -0.12 -0.97 -0.02 0.00 -1.10 0.00 0.00 41.96 39.75 1mre s TYR 49 CO 0.02 0.07 0.86 1.63 -2.51 0.00 0.00 175.55 175.62 1mre n LYS 50 N 1.87 -4.00 0.00 -3.49 5.02 -0.63 -2.52 118.16 114.41 1mre n LYS 50 Ca -0.17 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1mre n LYS 50 Cb 0.54 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1mre n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mre n VAL 51 N -3.90 0.00 -0.46 -0.18 0.31 0.37 -4.15 118.33 110.33 1mre n VAL 51 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1mre n VAL 51 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1mre n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1mre n SER 52 N 1.78 0.30 -4.76 4.52 3.41 -1.25 -3.72 113.62 113.90 1mre n SER 52 Ca 0.00 -0.80 -0.40 0.00 -0.26 0.00 0.00 58.87 57.41 1mre n SER 52 Cb 0.00 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1mre n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mre s ASN 53 N -0.10 7.36 0.14 4.04 0.01 -1.05 -4.58 114.94 120.77 1mre s ASN 53 Ca 0.00 1.61 -0.15 0.00 -0.71 0.00 0.00 52.86 53.61 1mre s ASN 53 Cb 0.00 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.08 1mre s ASN 53 CO 0.00 0.10 0.55 -0.13 -1.51 0.00 0.00 177.10 176.11 1mre s ARG 54 N -0.59 4.00 0.74 -0.60 0.52 -1.26 -1.00 118.95 120.76 1mre s ARG 54 Ca 0.39 0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 1mre s ARG 54 Cb -0.22 -2.95 0.03 0.00 0.52 0.00 0.00 34.95 32.33 1mre s ARG 54 CO 0.26 0.48 1.11 0.12 0.02 0.00 0.00 175.30 177.30 1mre s PHE 55 N -1.45 3.21 0.00 -0.53 5.36 0.19 -4.92 117.98 119.84 1mre s PHE 55 Ca 0.37 0.99 -0.37 0.00 -0.96 0.00 0.00 56.93 56.96 1mre s PHE 55 Cb -0.15 -3.17 -0.16 0.00 -0.34 0.00 0.00 43.02 39.20 1mre s PHE 55 CO 0.19 -1.36 1.49 0.43 -1.46 0.00 0.00 175.22 174.52 1mre n SER 56 N -3.11 2.09 0.00 6.13 7.64 -1.26 -1.65 113.62 123.47 1mre n SER 56 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1mre n SER 56 Cb 0.58 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1mre n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mre n GLY 57 N 3.11 2.70 3.70 0.23 0.00 -1.26 -4.99 105.19 108.68 1mre n GLY 57 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1mre n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mre s VAL 58 N -2.92 4.07 0.64 1.61 1.01 -0.66 -5.01 120.40 119.15 1mre s VAL 58 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 1mre s VAL 58 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1mre s VAL 58 CO 0.00 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.08 1mre s PRO 59 N 1.80 2.92 0.00 2.72 0.04 -1.26 -4.83 135.00 136.39 1mre s PRO 59 Ca 0.58 1.34 0.12 0.00 0.04 0.00 0.00 61.00 63.08 1mre s PRO 59 Cb -0.28 -1.97 0.72 0.00 0.04 0.00 0.00 34.50 33.01 1mre s PRO 59 CO 0.25 -1.14 1.15 -0.40 0.04 0.00 0.00 177.00 176.90 1mre n ASP 60 N -2.34 0.00 0.28 6.66 5.68 -1.26 -2.29 116.55 123.28 1mre n ASP 60 Ca 0.10 -0.39 0.16 0.00 -0.50 0.00 0.00 54.79 54.17 1mre n ASP 60 Cb 0.52 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.26 1mre n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1mre h ARG 61 N 0.00 0.00 -5.00 0.11 3.08 -1.93 -3.40 114.38 107.24 1mre h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1mre h ARG 61 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 1mre h ARG 61 CO 0.00 0.06 -0.36 -0.06 -1.07 0.00 0.00 179.97 178.54 1mre s PHE 62 N -3.86 3.23 0.08 3.04 0.08 -0.97 -0.83 117.98 118.75 1mre s PHE 62 Ca -0.01 0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.27 1mre s PHE 62 Cb 0.11 -2.51 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1mre s PHE 62 CO 0.54 -0.24 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.79 1mre s SER 63 N 1.70 1.30 0.09 1.36 1.04 -0.84 -4.97 113.70 113.38 1mre s SER 63 Ca 0.11 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.83 1mre s SER 63 Cb -0.16 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1mre s SER 63 CO 0.11 -0.27 -0.18 -0.83 0.98 0.00 0.00 173.24 173.05 1mre s GLY 64 N -2.31 1.06 0.20 7.32 0.00 -1.26 -1.02 107.32 111.32 1mre s GLY 64 Ca 0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 1mre s GLY 64 CO -0.00 -1.15 0.50 -1.35 0.00 0.00 0.00 173.10 171.10 1mre s SER 65 N -1.85 -0.22 0.00 1.64 1.04 0.11 -4.37 113.70 110.04 1mre s SER 65 Ca 0.03 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1mre s SER 65 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1mre s SER 65 CO 0.03 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1mre n GLY 66 N -0.33 0.22 3.61 7.32 0.00 -1.26 -0.14 105.19 114.61 1mre n GLY 66 Ca -0.09 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1mre n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mre s SER 67 N -0.03 -0.53 0.00 1.61 0.15 0.81 -4.97 113.70 110.73 1mre s SER 67 Ca 0.00 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1mre s SER 67 Cb 0.00 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1mre s SER 67 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1mre n GLY 68 N 1.81 0.34 0.00 9.45 0.00 -1.26 -1.58 105.19 113.95 1mre n GLY 68 Ca -0.13 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1mre n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mre n THR 69 N 0.00 0.00 -4.32 2.61 -2.24 -1.26 -0.40 114.28 108.67 1mre n THR 69 Ca 0.00 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 1mre n THR 69 Cb 0.00 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 1mre n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1mre s ASP 70 N -1.33 5.20 -0.04 3.42 1.01 -0.61 -1.55 116.67 122.78 1mre s ASP 70 Ca 0.00 0.07 -0.10 0.00 0.71 0.00 0.00 52.55 53.23 1mre s ASP 70 Cb 0.00 -1.62 0.02 0.00 1.01 0.00 0.00 42.92 42.32 1mre s ASP 70 CO 0.00 0.30 0.23 -0.36 0.21 0.00 0.00 175.17 175.55 1mre s PHE 71 N -0.40 -0.14 0.00 4.23 0.08 -0.14 -0.14 117.98 121.48 1mre s PHE 71 Ca 0.08 0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.44 1mre s PHE 71 Cb -0.12 0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.36 1mre s PHE 71 CO 0.02 -0.26 -0.15 0.99 -0.10 0.00 0.00 175.22 175.72 1mre s THR 72 N -0.83 1.21 -0.11 0.64 2.01 0.80 -0.83 115.64 118.53 1mre s THR 72 Ca -0.09 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1mre s THR 72 Cb -0.05 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1mre s THR 72 CO 0.02 0.26 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.80 1mre s LEU 73 N -0.58 2.39 0.03 4.42 2.96 -0.44 -0.72 118.68 126.74 1mre s LEU 73 Ca 0.05 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1mre s LEU 73 Cb -0.06 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1mre s LEU 73 CO -0.00 0.16 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.45 1mre s LYS 74 N 0.34 1.47 -0.30 1.98 1.02 -0.19 -1.08 119.74 122.99 1mre s LYS 74 Ca -0.15 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 54.99 1mre s LYS 74 Cb -0.17 -1.53 0.08 0.00 -0.52 0.00 0.00 37.83 35.69 1mre s LYS 74 CO 0.07 0.40 -0.02 0.42 -0.92 0.00 0.00 175.35 175.30 1mre s ILE 75 N -0.70 2.13 0.29 2.17 1.01 0.16 -1.98 121.20 124.28 1mre s ILE 75 Ca 0.08 -1.94 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1mre s ILE 75 Cb -0.08 -2.42 0.29 0.00 0.01 0.00 0.00 42.46 40.25 1mre s ILE 75 CO 0.01 -0.33 1.78 0.77 0.00 0.00 0.00 174.94 177.17 1mre h SER 76 N 7.72 0.73 -1.74 3.58 4.64 -1.26 -0.23 113.55 126.99 1mre h SER 76 Ca -0.12 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1mre h SER 76 Cb 1.03 -0.04 -0.25 0.00 -0.31 0.00 0.00 62.40 62.83 1mre h SER 76 CO 0.49 0.28 -0.34 0.00 -0.87 0.00 0.00 176.83 176.38 1mre s ARG 77 N -5.89 0.45 0.08 4.77 1.70 -1.23 -3.75 118.95 115.08 1mre s ARG 77 Ca -0.11 0.91 -0.31 0.00 -0.47 0.00 0.00 55.73 55.75 1mre s ARG 77 Cb 0.24 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 1mre s ARG 77 CO 0.80 -0.50 1.34 0.08 -1.08 0.00 0.00 175.30 175.94 1mre s VAL 78 N 2.71 3.56 0.44 4.99 1.01 0.13 -4.76 120.40 128.47 1mre s VAL 78 Ca 0.10 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.24 1mre s VAL 78 Cb -0.14 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1mre s VAL 78 CO -0.17 0.07 0.60 -0.70 0.00 0.00 0.00 175.10 174.89 1mre s GLU 79 N 1.32 2.80 0.00 2.72 2.56 -1.26 -0.76 118.70 126.07 1mre s GLU 79 Ca 0.63 -1.15 0.27 0.00 0.00 0.00 0.00 54.97 54.72 1mre s GLU 79 Cb -0.34 -2.72 1.23 0.00 2.00 0.00 0.00 34.13 34.30 1mre s GLU 79 CO 0.29 -0.32 1.89 0.00 -0.56 0.00 0.00 175.26 176.56 1mre n ALA 80 N -1.92 2.28 1.06 6.30 0.00 -1.26 -2.81 120.51 124.15 1mre n ALA 80 Ca 0.08 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1mre n ALA 80 Cb 0.59 -1.44 0.18 0.00 0.00 0.00 0.00 19.45 18.79 1mre n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mre n GLU 81 N -1.43 0.31 0.06 0.00 0.28 -1.26 -4.18 120.64 114.42 1mre n GLU 81 Ca 0.09 -0.21 0.12 0.00 -0.16 0.00 0.00 57.16 57.00 1mre n GLU 81 Cb 0.28 -1.50 0.47 0.00 1.43 0.00 0.00 31.44 32.12 1mre n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1mre n ASP 82 N -1.17 0.38 -4.75 -1.84 8.00 -1.12 -4.83 116.55 111.22 1mre n ASP 82 Ca 0.07 0.56 -0.41 0.00 0.71 0.00 0.00 54.79 55.71 1mre n ASP 82 Cb 0.35 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1mre n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1mre s LEU 83 N -3.76 4.37 0.00 0.64 2.34 -1.26 -4.84 118.68 116.16 1mre s LEU 83 Ca 0.10 2.81 0.00 0.00 0.06 0.00 0.00 54.13 57.10 1mre s LEU 83 Cb 0.13 -3.63 0.00 0.00 -0.56 0.00 0.00 46.19 42.13 1mre s LEU 83 CO 0.47 -0.80 0.00 0.61 -1.06 0.00 0.00 176.35 175.57 1mre n GLY 84 N 2.07 -1.06 3.58 -3.48 0.00 -1.25 -4.83 105.19 100.22 1mre n GLY 84 Ca 0.07 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1mre n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mre s VAL 85 N -3.00 3.68 -0.11 1.61 1.01 -0.87 -1.20 120.40 121.53 1mre s VAL 85 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1mre s VAL 85 Cb 0.00 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1mre s VAL 85 CO 0.00 0.58 -0.14 -0.31 0.00 0.00 0.00 175.10 175.23 1mre s TYR 86 N -0.83 2.77 0.03 5.22 1.51 0.20 -1.10 117.35 125.16 1mre s TYR 86 Ca 0.13 -0.56 0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1mre s TYR 86 Cb -0.11 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1mre s TYR 86 CO 0.02 -0.14 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.03 1mre s PHE 87 N 0.11 2.05 0.04 2.71 0.08 -0.71 -1.69 117.98 120.58 1mre s PHE 87 Ca -0.07 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1mre s PHE 87 Cb -0.15 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1mre s PHE 87 CO 0.05 0.08 0.07 0.00 -0.10 0.00 0.00 175.22 175.32 1mre s SER 89 N -2.08 0.31 0.01 0.00 0.15 -0.45 0.18 113.70 111.81 1mre s SER 89 Ca 0.26 -0.72 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1mre s SER 89 Cb -0.12 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1mre s SER 89 CO 0.18 -0.52 -0.14 0.00 1.20 0.00 0.00 173.24 173.96 1mre s GLN 90 N -2.99 1.03 -0.06 5.44 1.03 -0.11 -0.90 119.66 123.10 1mre s GLN 90 Ca -0.02 -0.57 0.10 0.00 0.04 0.00 0.00 55.36 54.91 1mre s GLN 90 Cb 0.01 -1.01 0.17 0.00 0.03 0.00 0.00 33.01 32.22 1mre s GLN 90 CO -0.06 0.27 1.09 -1.13 -2.54 0.00 0.00 175.29 172.91 1mre n SER 91 N 2.45 1.08 -0.03 12.60 3.41 -0.75 -2.50 113.62 129.88 1mre n SER 91 Ca -0.15 -2.54 -0.14 0.00 -0.26 0.00 0.00 58.87 55.78 1mre n SER 91 Cb 0.55 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1mre n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1mre h THR 92 N 3.97 1.54 -3.24 6.66 2.02 -1.88 -3.45 112.91 118.52 1mre h THR 92 Ca -0.02 -1.74 -0.67 0.00 0.77 0.00 0.00 66.41 64.75 1mre h THR 92 Cb 1.27 2.65 -0.13 0.00 -1.74 0.00 0.00 68.15 70.19 1mre h THR 92 CO 0.01 0.47 -0.61 -1.00 0.37 0.00 0.00 175.52 174.76 1mre s HIS 93 N -3.37 3.19 -0.16 3.16 3.76 -1.26 -4.98 115.29 115.63 1mre s HIS 93 Ca -0.16 0.18 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 1mre s HIS 93 Cb 0.01 -1.75 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 1mre s HIS 93 CO 0.71 0.50 0.25 0.08 -0.85 0.00 0.00 174.74 175.43 1mre s VAL 94 N -1.02 5.33 0.57 -0.90 1.01 -1.26 -3.31 120.40 120.81 1mre s VAL 94 Ca 0.17 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 1mre s VAL 94 Cb -0.12 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1mre s VAL 94 CO 0.07 0.43 1.02 -2.16 0.00 0.00 0.00 175.10 174.46 1mre s PRO 95 N 0.27 3.61 0.50 2.72 0.04 -1.26 -4.61 135.00 136.27 1mre s PRO 95 Ca 0.15 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 1mre s PRO 95 Cb -0.13 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1mre s PRO 95 CO 0.03 -0.56 1.26 0.50 0.04 0.00 0.00 177.00 178.27 1mre s ARG 96 N -4.27 3.46 0.02 4.56 3.52 -1.21 -4.59 118.95 120.43 1mre s ARG 96 Ca 0.60 1.99 0.01 0.00 -0.13 0.00 0.00 55.73 58.20 1mre s ARG 96 Cb -0.12 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1mre s ARG 96 CO 0.38 -0.86 -0.04 0.99 -0.81 0.00 0.00 175.30 174.96 1mre s THR 97 N -1.43 0.26 0.25 4.11 2.01 -1.04 -4.99 115.64 114.80 1mre s THR 97 Ca 0.67 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1mre s THR 97 Cb -0.34 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1mre s THR 97 CO 0.41 -0.21 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.76 1mre s PHE 98 N -0.79 2.71 0.57 4.92 0.40 -1.26 -0.94 117.98 123.60 1mre s PHE 98 Ca -0.07 -0.21 -0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1mre s PHE 98 Cb -0.06 -1.22 0.13 0.00 0.51 0.00 0.00 43.02 42.38 1mre s PHE 98 CO -0.00 0.60 0.78 0.41 0.70 0.00 0.00 175.22 177.71 1mre n GLY 99 N -0.77 -0.96 0.00 4.36 0.00 0.13 -4.50 105.19 103.45 1mre n GLY 99 Ca -0.07 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.32 1mre n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mre n GLY 100 N -0.25 -1.31 0.00 -0.02 0.00 -1.26 -4.80 105.19 97.55 1mre n GLY 100 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1mre n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mre n GLY 101 N 1.49 1.37 2.74 -0.02 0.00 -1.25 -5.04 105.19 104.49 1mre n GLY 101 Ca 0.06 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 1mre n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mre s THR 102 N -2.73 -0.14 -0.21 2.61 2.01 -0.68 -4.73 115.64 111.77 1mre s THR 102 Ca 0.00 0.37 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 1mre s THR 102 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1mre s THR 102 CO 0.00 0.15 0.62 -0.75 -0.69 0.00 0.00 174.62 173.95 1mre s LYS 103 N 2.00 4.18 -0.31 4.92 2.20 -0.52 -0.62 119.74 131.60 1mre s LYS 103 Ca 0.02 0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 55.96 1mre s LYS 103 Cb -0.12 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1mre s LYS 103 CO -0.04 -0.28 0.82 -1.17 -0.36 0.00 0.00 175.35 174.32 1mre s LEU 104 N 2.04 4.07 -0.18 5.43 1.98 -0.34 -0.03 118.68 131.65 1mre s LEU 104 Ca 0.27 0.69 -0.03 0.00 -2.89 0.00 0.00 54.13 52.18 1mre s LEU 104 Cb -0.16 -3.12 -0.01 0.00 0.66 0.00 0.00 46.19 43.56 1mre s LEU 104 CO 0.10 -0.64 -0.07 -1.61 -1.89 0.00 0.00 176.35 172.23 1mre s GLU 105 N 3.03 3.43 -0.02 1.98 2.02 0.67 -3.92 118.70 125.90 1mre s GLU 105 Ca 0.34 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 1mre s GLU 105 Cb -0.14 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1mre s GLU 105 CO 0.13 0.01 0.95 0.42 0.02 0.00 0.00 175.26 176.79 1mre s ILE 106 N 0.93 4.88 -0.24 -1.63 -1.09 -1.26 0.21 121.20 123.00 1mre s ILE 106 Ca -0.01 1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 60.28 1mre s ILE 106 Cb -0.15 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 1mre s ILE 106 CO 0.00 0.16 0.24 -0.54 -1.23 0.00 0.00 174.94 173.57 1mre s LYS 107 N 1.07 4.08 0.14 2.79 1.02 0.11 -4.79 119.74 124.16 1mre s LYS 107 Ca 0.50 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.38 1mre s LYS 107 Cb -0.20 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1mre s LYS 107 CO 0.26 -0.01 0.08 2.89 -0.92 0.00 0.00 175.35 177.65 1mre n ARG 108 N 4.48 0.49 -2.52 1.68 -4.01 -1.26 -4.13 116.66 111.39 1mre n ARG 108 Ca -0.13 -1.29 -0.36 0.00 -1.04 0.00 0.00 57.85 55.03 1mre n ARG 108 Cb 0.52 0.87 -0.04 0.00 -3.04 0.00 0.00 32.46 30.77 1mre n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1mre s ALA 109 N -2.47 3.05 0.35 2.89 0.00 -1.26 -4.98 121.76 119.34 1mre s ALA 109 Ca 0.11 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 1mre s ALA 109 Cb 0.01 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1mre s ALA 109 CO 0.08 -0.25 1.27 -0.25 0.00 0.00 0.00 175.76 176.60 1mre n ASP 110 N -0.21 2.63 -3.83 0.00 8.00 -1.26 -4.78 116.55 117.10 1mre n ASP 110 Ca 0.06 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.62 1mre n ASP 110 Cb 0.50 -1.47 -0.14 0.00 -0.02 0.00 0.00 41.12 39.99 1mre n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mre s ALA 111 N -1.11 -0.17 0.29 2.24 0.00 -0.41 -4.92 121.76 117.68 1mre s ALA 111 Ca 0.56 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 1mre s ALA 111 Cb -0.57 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 1mre s ALA 111 CO 0.62 -0.06 0.88 0.00 0.00 0.00 0.00 175.76 177.20 1mre s ALA 112 N 0.27 3.27 0.22 0.00 0.00 -1.26 -2.07 121.76 122.18 1mre s ALA 112 Ca -0.02 0.43 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 1mre s ALA 112 Cb -0.03 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1mre s ALA 112 CO -0.01 0.22 0.83 -1.25 0.00 0.00 0.00 175.76 175.55 1mre s PRO 113 N -1.97 4.58 -0.29 0.00 0.04 -1.26 -4.41 135.00 131.68 1mre s PRO 113 Ca 0.48 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1mre s PRO 113 Cb -0.19 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1mre s PRO 113 CO 0.23 0.48 0.27 0.95 0.04 0.00 0.00 177.00 178.98 1mre s THR 114 N -1.30 5.25 0.05 1.26 -4.23 -0.44 -4.87 115.64 111.36 1mre s THR 114 Ca 0.40 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 1mre s THR 114 Cb -0.22 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1mre s THR 114 CO 0.26 0.15 0.41 -0.69 -0.54 0.00 0.00 174.62 174.21 1mre s VAL 115 N 1.88 5.06 -0.03 2.29 1.01 -1.26 -1.35 120.40 128.00 1mre s VAL 115 Ca 0.10 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1mre s VAL 115 Cb -0.16 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1mre s VAL 115 CO 0.11 0.41 -0.04 -0.44 0.00 0.00 0.00 175.10 175.13 1mre s SER 116 N -1.47 0.75 -0.07 3.32 0.01 0.21 -4.97 113.70 111.48 1mre s SER 116 Ca 0.29 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.48 1mre s SER 116 Cb -0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 1mre s SER 116 CO 0.16 -0.01 -0.15 -0.51 0.41 0.00 0.00 173.24 173.14 1mre s ILE 117 N 0.51 3.00 -0.08 1.44 2.07 -1.26 -1.54 121.20 125.34 1mre s ILE 117 Ca -0.06 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1mre s ILE 117 Cb -0.10 -2.19 0.01 0.00 0.13 0.00 0.00 42.46 40.31 1mre s ILE 117 CO -0.00 0.57 -0.15 -0.36 -1.91 0.00 0.00 174.94 173.09 1mre s PHE 118 N -0.41 1.74 0.66 3.50 0.08 -0.46 -5.03 117.98 118.05 1mre s PHE 118 Ca 0.05 -0.70 -0.11 0.00 0.12 0.00 0.00 56.93 56.29 1mre s PHE 118 Cb -0.12 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1mre s PHE 118 CO 0.02 -0.34 1.04 -2.14 -0.10 0.00 0.00 175.22 173.70 1mre s PRO 119 N 0.69 3.16 0.50 0.24 0.02 -1.26 -2.43 135.00 135.92 1mre s PRO 119 Ca -0.14 0.51 -0.23 0.00 0.02 0.00 0.00 61.00 61.17 1mre s PRO 119 Cb -0.16 -2.08 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 1mre s PRO 119 CO 0.04 -0.80 1.24 -2.30 -0.33 0.00 0.00 177.00 174.84 1mre n PRO 120 N -2.85 1.66 -2.99 5.54 -0.02 -1.25 -4.86 135.00 130.23 1mre n PRO 120 Ca 0.06 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1mre n PRO 120 Cb 0.56 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1mre n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1mre s SER 121 N -0.79 6.92 0.29 2.55 1.04 -1.26 -4.93 113.70 117.52 1mre s SER 121 Ca 0.67 1.49 0.04 0.00 0.48 0.00 0.00 55.95 58.63 1mre s SER 121 Cb -0.46 -2.46 0.71 0.00 0.10 0.00 0.00 66.02 63.92 1mre s SER 121 CO 0.53 -0.22 1.72 0.77 0.98 0.00 0.00 173.24 177.02 1mre h SER 122 N 2.34 0.44 -0.43 7.02 4.64 -1.99 0.65 113.55 126.22 1mre h SER 122 Ca -0.48 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.04 1mre h SER 122 Cb 1.18 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1mre h SER 122 CO 0.64 0.07 0.29 -0.08 -0.87 0.00 0.00 176.83 176.88 1mre h GLU 123 N 0.49 0.31 0.16 4.77 4.81 -1.99 0.61 114.58 123.74 1mre h GLU 123 Ca 0.55 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 59.43 1mre h GLU 123 Cb 1.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1mre h GLU 123 CO -0.48 0.21 -1.67 0.37 -0.73 0.00 0.00 179.01 176.71 1mre h GLN 124 N 0.32 0.34 -0.62 1.92 4.15 -1.22 -3.33 115.11 116.68 1mre h GLN 124 Ca 0.19 -0.57 0.05 0.00 0.77 0.00 0.00 58.65 59.09 1mre h GLN 124 Cb 0.33 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1mre h GLN 124 CO -0.04 1.23 0.34 -0.07 -1.93 0.00 0.00 178.83 178.35 1mre h LEU 125 N 0.09 0.50 -1.91 -2.39 4.07 -0.49 0.21 115.31 115.39 1mre h LEU 125 Ca -0.31 0.03 0.25 0.00 0.08 0.00 0.00 57.88 57.93 1mre h LEU 125 Cb 2.07 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.70 1mre h LEU 125 CO 0.17 0.33 0.71 0.74 -1.08 0.00 0.00 178.44 179.31 1mre h THR 126 N 0.64 0.41 -0.61 0.22 2.02 -1.01 0.89 112.91 115.46 1mre h THR 126 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1mre h THR 126 Cb 0.15 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1mre h THR 126 CO -0.17 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.18 1mre n SER 127 N -4.00 4.47 -0.37 4.18 3.41 0.05 -4.93 113.62 116.43 1mre n SER 127 Ca 0.18 -2.41 -0.05 0.00 -0.26 0.00 0.00 58.87 56.33 1mre n SER 127 Cb 1.01 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1mre n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mre n GLY 128 N 1.09 0.70 3.53 5.00 0.00 0.31 -5.02 105.19 110.80 1mre n GLY 128 Ca 0.24 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1mre n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mre s GLY 129 N -2.45 1.77 -0.28 -0.02 0.00 -1.13 -1.26 107.32 103.95 1mre s GLY 129 Ca 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.01 1mre s GLY 129 CO 0.00 -1.79 0.46 0.00 0.00 0.00 0.00 173.10 171.77 1mre s ALA 130 N -2.24 -1.52 -0.22 3.20 0.00 -0.85 -3.23 121.76 116.88 1mre s ALA 130 Ca 0.29 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 1mre s ALA 130 Cb -0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1mre s ALA 130 CO 0.16 -1.66 0.08 -1.12 0.00 0.00 0.00 175.76 173.22 1mre s SER 131 N 2.63 5.47 -0.16 0.00 0.01 -1.26 -0.32 113.70 120.07 1mre s SER 131 Ca 0.11 -0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 1mre s SER 131 Cb -0.13 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1mre s SER 131 CO -0.26 0.05 0.07 0.54 0.41 0.00 0.00 173.24 174.05 1mre s VAL 132 N 1.10 4.85 0.08 3.43 0.11 0.55 -3.82 120.40 126.71 1mre s VAL 132 Ca 0.05 -0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1mre s VAL 132 Cb -0.14 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1mre s VAL 132 CO 0.04 0.50 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.43 1mre s VAL 133 N 0.03 2.82 -0.07 2.04 1.01 -1.02 -0.78 120.40 124.43 1mre s VAL 133 Ca 0.06 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1mre s VAL 133 Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1mre s VAL 133 CO 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 175.10 175.31 1mre s PHE 135 N 1.81 3.26 -0.47 0.00 0.08 -0.59 -0.79 117.98 121.27 1mre s PHE 135 Ca 0.03 0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.19 1mre s PHE 135 Cb -0.13 -2.12 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 1mre s PHE 135 CO -0.05 0.11 0.20 -0.51 -0.10 0.00 0.00 175.22 174.88 1mre s LEU 136 N 0.56 4.47 0.15 -0.37 1.02 -0.24 -0.62 118.68 123.64 1mre s LEU 136 Ca 0.04 -2.76 -0.03 0.00 0.02 0.00 0.00 54.13 51.40 1mre s LEU 136 Cb -0.13 -1.64 -0.05 0.00 0.02 0.00 0.00 46.19 44.39 1mre s LEU 136 CO 0.01 -0.28 0.36 0.20 0.02 0.00 0.00 176.35 176.66 1mre s ASN 137 N 0.08 6.43 -0.76 2.29 0.01 -0.46 -1.18 114.94 121.34 1mre s ASN 137 Ca 0.15 0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 52.73 1mre s ASN 137 Cb -0.24 -2.04 0.01 0.00 0.41 0.00 0.00 41.25 39.39 1mre s ASN 137 CO -0.02 0.03 0.63 0.59 -1.51 0.00 0.00 177.10 176.82 1mre n ASN 138 N -0.18 -5.60 -4.34 -1.22 4.13 -1.09 -1.33 115.26 105.64 1mre n ASN 138 Ca -0.04 -0.67 -0.17 0.00 1.68 0.00 0.00 54.58 55.38 1mre n ASN 138 Cb 0.52 -2.52 -0.10 0.00 -1.54 0.00 0.00 39.78 36.15 1mre n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1mre s PHE 139 N -2.84 1.58 -0.27 3.10 -0.71 -0.22 -4.35 117.98 114.27 1mre s PHE 139 Ca 0.04 -0.95 -0.18 0.00 -1.04 0.00 0.00 56.93 54.81 1mre s PHE 139 Cb -0.01 -0.93 0.07 0.00 -1.21 0.00 0.00 43.02 40.95 1mre s PHE 139 CO 0.86 -0.06 0.67 -0.47 -1.34 0.00 0.00 175.22 174.88 1mre s TYR 140 N -3.44 -0.95 0.97 3.49 6.14 -0.88 -0.20 117.35 122.48 1mre s TYR 140 Ca 0.30 1.99 -0.12 0.00 0.64 0.00 0.00 57.07 59.88 1mre s TYR 140 Cb 0.06 0.50 0.17 0.00 0.42 0.00 0.00 41.96 43.11 1mre s TYR 140 CO 0.09 -0.47 1.10 -2.14 0.64 0.00 0.00 175.55 174.77 1mre s PRO 141 N 1.26 0.68 0.57 4.97 0.02 -1.26 -1.29 135.00 139.94 1mre s PRO 141 Ca -0.07 0.56 0.34 0.00 0.02 0.00 0.00 61.00 61.84 1mre s PRO 141 Cb -0.05 -1.76 1.66 0.00 0.02 0.00 0.00 34.50 34.37 1mre s PRO 141 CO -0.14 -2.57 2.12 -0.22 -0.33 0.00 0.00 177.00 175.86 1mre h LYS 142 N -1.78 0.00 -6.26 5.54 3.64 -1.98 -3.43 116.57 112.30 1mre h LYS 142 Ca -0.53 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.28 1mre h LYS 142 Cb 1.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1mre h LYS 142 CO 0.57 0.06 1.19 -0.51 -2.27 0.00 0.00 179.45 178.49 1mre s ASP 143 N -5.77 6.24 0.01 4.20 1.01 -1.26 -4.97 116.67 116.13 1mre s ASP 143 Ca -0.02 1.69 -0.22 0.00 0.71 0.00 0.00 52.55 54.71 1mre s ASP 143 Cb 0.12 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.56 1mre s ASP 143 CO 0.53 -1.36 0.49 -0.51 0.21 0.00 0.00 175.17 174.52 1mre s ILE 144 N 5.64 0.03 0.02 0.77 2.07 -1.26 -4.65 121.20 123.82 1mre s ILE 144 Ca 0.77 -0.28 0.07 0.00 -1.41 0.00 0.00 60.65 59.79 1mre s ILE 144 Cb -0.27 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 1mre s ILE 144 CO 0.31 -0.16 -0.21 0.20 -1.91 0.00 0.00 174.94 173.18 1mre s ASN 145 N -1.61 2.50 -0.05 4.50 0.02 -0.63 -4.97 114.94 114.70 1mre s ASN 145 Ca -0.09 -0.46 0.02 0.00 -1.02 0.00 0.00 52.86 51.31 1mre s ASN 145 Cb -0.02 -0.24 0.01 0.00 0.02 0.00 0.00 41.25 41.03 1mre s ASN 145 CO 0.03 0.21 -0.10 -0.69 0.02 0.00 0.00 177.10 176.56 1mre s VAL 146 N -0.67 0.96 -0.07 1.60 1.01 -1.26 -0.30 120.40 121.68 1mre s VAL 146 Ca 0.08 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1mre s VAL 146 Cb -0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1mre s VAL 146 CO 0.01 0.31 -0.20 -0.54 0.00 0.00 0.00 175.10 174.68 1mre s LYS 147 N 0.57 2.29 -0.11 2.72 -0.14 0.75 -4.95 119.74 120.87 1mre s LYS 147 Ca -0.11 -0.71 -0.12 0.00 -1.36 0.00 0.00 55.97 53.67 1mre s LYS 147 Cb -0.14 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 1mre s LYS 147 CO 0.02 0.20 0.28 -1.58 -0.76 0.00 0.00 175.35 173.52 1mre s TRP 148 N 0.22 3.57 -0.04 3.18 0.52 -1.26 -0.64 118.94 124.49 1mre s TRP 148 Ca -0.11 0.68 0.03 0.00 0.02 0.00 0.00 56.10 56.71 1mre s TRP 148 Cb -0.15 -2.22 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 1mre s TRP 148 CO 0.05 0.48 -0.10 0.15 0.02 0.00 0.00 176.95 177.55 1mre s LYS 149 N -0.34 1.16 -0.24 4.98 1.02 0.61 -1.21 119.74 125.71 1mre s LYS 149 Ca 0.18 -0.34 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1mre s LYS 149 Cb -0.14 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1mre s LYS 149 CO 0.06 0.10 -0.08 0.42 -0.92 0.00 0.00 175.35 174.92 1mre s ILE 150 N 0.32 2.66 -1.59 2.17 1.01 0.15 -0.57 121.20 125.35 1mre s ILE 150 Ca -0.06 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 1mre s ILE 150 Cb -0.11 -2.37 0.12 0.00 0.01 0.00 0.00 42.46 40.12 1mre s ILE 150 CO 0.01 0.19 0.85 0.47 0.00 0.00 0.00 174.94 176.47 1mre n ASP 151 N 4.62 -4.11 0.00 3.58 8.00 -0.67 -0.47 116.55 127.50 1mre n ASP 151 Ca -0.16 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1mre n ASP 151 Cb 0.46 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1mre n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mre n GLY 152 N -1.51 1.15 3.66 0.44 0.00 -1.26 -5.03 105.19 102.64 1mre n GLY 152 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1mre n GLY 152 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mre s LYS 153 N -0.31 4.04 0.21 1.61 2.47 0.38 -5.02 119.74 123.12 1mre s LYS 153 Ca 0.00 -0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 53.81 1mre s LYS 153 Cb 0.00 -3.29 -0.08 0.00 -1.46 0.00 0.00 37.83 32.99 1mre s LYS 153 CO 0.00 0.26 1.18 -2.00 0.16 0.00 0.00 175.35 174.95 1mre s GLU 154 N 0.43 4.52 -0.18 4.03 2.12 -1.26 0.34 118.70 128.70 1mre s GLU 154 Ca 0.05 1.87 -0.00 0.00 0.36 0.00 0.00 54.97 57.24 1mre s GLU 154 Cb -0.12 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1mre s GLU 154 CO -0.00 -0.02 -0.15 0.50 -0.54 0.00 0.00 175.26 175.05 1mre s ARG 155 N -0.56 3.16 -0.18 4.30 6.06 -0.35 -4.93 118.95 126.45 1mre s ARG 155 Ca 0.51 -0.76 0.12 0.00 -2.50 0.00 0.00 55.73 53.10 1mre s ARG 155 Cb -0.33 -2.68 -0.20 0.00 0.06 0.00 0.00 34.95 31.81 1mre s ARG 155 CO 0.38 -0.11 -0.01 0.00 -2.50 0.00 0.00 175.30 173.07 1mre n GLN 156 N 4.41 1.02 -2.96 5.12 10.64 -1.26 -4.26 117.38 130.10 1mre n GLN 156 Ca -0.20 0.03 -0.37 0.00 -1.83 0.00 0.00 57.00 54.63 1mre n GLN 156 Cb 0.51 -1.44 -0.06 0.00 -0.86 0.00 0.00 30.24 28.38 1mre n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1mre s ASN 157 N -5.38 7.26 0.00 2.61 0.01 -1.26 -4.13 114.94 114.04 1mre s ASN 157 Ca -0.14 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 53.64 1mre s ASN 157 Cb 0.06 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1mre s ASN 157 CO 0.66 0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.91 1mre n GLY 158 N 0.93 0.57 3.51 0.66 0.00 -1.26 -4.89 105.19 104.70 1mre n GLY 158 Ca -0.02 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1mre n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mre s VAL 159 N -2.00 3.63 -0.13 1.61 -7.23 -1.26 -1.48 120.40 113.55 1mre s VAL 159 Ca 0.00 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1mre s VAL 159 Cb 0.00 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1mre s VAL 159 CO 0.00 0.54 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.97 1mre s LEU 160 N -0.14 2.65 -0.08 1.32 2.96 0.59 -4.93 118.68 121.05 1mre s LEU 160 Ca 0.02 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1mre s LEU 160 Cb -0.13 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1mre s LEU 160 CO 0.03 0.17 -0.23 0.20 -1.32 0.00 0.00 176.35 175.19 1mre s ASN 161 N 0.33 3.18 -0.02 3.68 0.01 -1.26 -0.18 114.94 120.68 1mre s ASN 161 Ca -0.12 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1mre s ASN 161 Cb -0.16 -1.19 0.01 0.00 0.41 0.00 0.00 41.25 40.32 1mre s ASN 161 CO 0.06 0.20 -0.04 -0.55 -1.51 0.00 0.00 177.10 175.26 1mre s SER 162 N 0.12 0.62 0.08 -1.22 0.15 -0.43 -4.98 113.70 108.04 1mre s SER 162 Ca -0.12 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.53 1mre s SER 162 Cb -0.16 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1mre s SER 162 CO 0.06 0.01 -0.19 0.26 1.20 0.00 0.00 173.24 174.59 1mre s TRP 163 N 0.28 2.53 0.51 3.44 0.51 -1.26 -0.22 118.94 124.73 1mre s TRP 163 Ca -0.03 -0.27 -0.01 0.00 -2.12 0.00 0.00 56.10 53.67 1mre s TRP 163 Cb -0.06 -1.40 0.01 0.00 -0.81 0.00 0.00 33.47 31.20 1mre s TRP 163 CO -0.00 0.31 0.75 0.95 -0.51 0.00 0.00 176.95 178.45 1mre s THR 164 N -1.02 3.52 0.95 2.01 -4.23 -0.43 -4.98 115.64 111.46 1mre s THR 164 Ca 0.16 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1mre s THR 164 Cb -0.10 -3.33 0.16 0.00 1.34 0.00 0.00 72.50 70.57 1mre s THR 164 CO 0.07 -0.26 1.11 -1.81 -0.54 0.00 0.00 174.62 173.20 1mre s ASP 165 N -4.30 3.09 0.26 3.99 1.11 -1.26 -4.62 116.67 114.94 1mre s ASP 165 Ca 0.52 1.10 -0.30 0.00 0.18 0.00 0.00 52.55 54.05 1mre s ASP 165 Cb -0.10 -1.73 -0.11 0.00 1.07 0.00 0.00 42.92 42.04 1mre s ASP 165 CO 0.40 -2.83 1.57 -1.58 1.18 0.00 0.00 175.17 173.91 1mre s GLN 166 N -5.11 4.16 0.01 8.23 0.74 -1.26 -4.76 119.66 121.68 1mre s GLN 166 Ca 0.64 2.50 -0.30 0.00 0.05 0.00 0.00 55.36 58.25 1mre s GLN 166 Cb -0.17 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 1mre s GLN 166 CO 0.56 -0.60 1.31 1.21 -0.55 0.00 0.00 175.29 177.21 1mre s ASN 167 N 0.61 6.95 0.39 6.67 2.47 0.33 -4.90 114.94 127.46 1mre s ASN 167 Ca 0.64 2.04 0.28 0.00 0.42 0.00 0.00 52.86 56.25 1mre s ASN 167 Cb -0.46 -2.57 1.27 0.00 -1.45 0.00 0.00 41.25 38.04 1mre s ASN 167 CO 0.43 -0.63 1.84 0.77 -3.72 0.00 0.00 177.10 175.80 1mre h SER 168 N 7.41 0.00 0.10 -4.21 4.64 -1.90 0.40 113.55 119.99 1mre h SER 168 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 1mre h SER 168 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1mre h SER 168 CO 0.87 0.00 -0.58 0.11 -0.87 0.00 0.00 176.83 176.36 1mre h LYS 169 N 0.00 0.22 0.00 4.77 6.56 -1.91 -3.40 116.57 122.81 1mre h LYS 169 Ca 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1mre h LYS 169 Cb 0.31 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1mre h LYS 169 CO 0.00 1.17 -0.16 -0.40 -2.06 0.00 0.00 179.45 178.00 1mre n ASP 170 N -4.26 0.60 -1.84 0.86 5.75 -1.20 -5.02 116.55 111.43 1mre n ASP 170 Ca -0.13 -1.74 -0.20 0.00 -0.01 0.00 0.00 54.79 52.71 1mre n ASP 170 Cb 0.72 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.63 1mre n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mre n SER 171 N -0.26 -5.49 -4.96 -1.12 7.64 0.14 -4.97 113.62 104.60 1mre n SER 171 Ca 0.02 0.35 -0.18 0.00 1.01 0.00 0.00 58.87 60.06 1mre n SER 171 Cb 0.55 -4.77 -0.00 0.00 -1.01 0.00 0.00 64.21 58.97 1mre n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mre s THR 172 N -2.81 2.96 0.27 0.44 -4.23 -1.26 -4.65 115.64 106.37 1mre s THR 172 Ca 0.00 -1.12 0.10 0.00 -1.18 0.00 0.00 61.69 59.50 1mre s THR 172 Cb 0.00 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1mre s THR 172 CO 0.00 -0.01 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.69 1mre s TYR 173 N -2.38 2.56 0.08 3.99 2.02 0.72 -0.51 117.35 123.83 1mre s TYR 173 Ca 0.52 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 1mre s TYR 173 Cb -0.08 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1mre s TYR 173 CO 0.31 0.65 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.76 1mre s SER 174 N -3.62 1.00 -0.11 2.29 0.01 -1.26 -1.06 113.70 110.95 1mre s SER 174 Ca 0.31 -0.92 -0.13 0.00 1.31 0.00 0.00 55.95 56.52 1mre s SER 174 Cb -0.06 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.30 1mre s SER 174 CO 0.18 -0.43 0.35 -0.32 0.41 0.00 0.00 173.24 173.44 1mre s MET 175 N -3.41 0.48 -0.09 12.44 1.75 -0.33 -1.31 119.30 128.84 1mre s MET 175 Ca 0.07 0.35 0.04 0.00 -1.25 0.00 0.00 55.69 54.90 1mre s MET 175 Cb 0.03 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.93 1mre s MET 175 CO -0.04 -0.08 -0.22 -1.54 -0.65 0.00 0.00 175.02 172.49 1mre s SER 176 N -0.15 2.80 -0.22 1.11 1.04 0.69 -1.08 113.70 117.89 1mre s SER 176 Ca -0.03 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 1mre s SER 176 Cb -0.03 -1.24 0.02 0.00 0.10 0.00 0.00 66.02 64.87 1mre s SER 176 CO 0.01 0.14 -0.10 -0.55 0.98 0.00 0.00 173.24 173.72 1mre s SER 177 N 0.36 3.96 -0.21 7.02 0.15 0.03 -1.31 113.70 123.70 1mre s SER 177 Ca -0.17 -0.75 -0.04 0.00 0.70 0.00 0.00 55.95 55.69 1mre s SER 177 Cb -0.17 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1mre s SER 177 CO 0.07 -0.07 -0.02 -0.89 1.20 0.00 0.00 173.24 173.53 1mre s THR 178 N 1.33 3.63 -0.30 6.45 2.01 0.74 -1.20 115.64 128.30 1mre s THR 178 Ca 0.02 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1mre s THR 178 Cb -0.15 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 1mre s THR 178 CO -0.07 0.42 0.15 -0.22 -0.69 0.00 0.00 174.62 174.21 1mre s LEU 179 N 1.27 4.03 -0.16 4.42 2.96 0.04 -0.30 118.68 130.93 1mre s LEU 179 Ca 0.03 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1mre s LEU 179 Cb -0.14 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1mre s LEU 179 CO -0.00 -0.15 0.06 -0.89 -1.32 0.00 0.00 176.35 174.04 1mre s THR 180 N 1.64 4.74 0.40 3.68 2.01 -0.55 -0.33 115.64 127.24 1mre s THR 180 Ca 0.05 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1mre s THR 180 Cb -0.17 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1mre s THR 180 CO 0.07 0.49 0.17 -0.76 -0.69 0.00 0.00 174.62 173.90 1mre s LEU 181 N 0.10 1.94 0.48 4.42 1.43 0.57 -4.84 118.68 122.78 1mre s LEU 181 Ca 0.05 -1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 51.40 1mre s LEU 181 Cb -0.12 0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 1mre s LEU 181 CO 0.01 -0.99 0.74 0.42 0.23 0.00 0.00 176.35 176.76 1mre s THR 182 N -3.24 4.35 0.34 5.49 -4.23 -1.26 -2.01 115.64 115.08 1mre s THR 182 Ca 0.26 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1mre s THR 182 Cb 0.02 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.48 1mre s THR 182 CO 0.17 -0.56 1.99 0.50 -0.54 0.00 0.00 174.62 176.19 1mre h LYS 183 N 0.26 0.90 0.14 3.99 3.64 -1.40 -2.02 116.57 122.08 1mre h LYS 183 Ca -0.47 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1mre h LYS 183 Cb 1.23 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1mre h LYS 183 CO 0.60 0.59 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.86 1mre h ASP 184 N 0.92 -0.16 -0.57 4.20 3.32 -1.93 -1.61 116.42 120.58 1mre h ASP 184 Ca 0.26 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1mre h ASP 184 Cb -0.06 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1mre h ASP 184 CO -0.06 -0.02 0.15 -0.08 -1.72 0.00 0.00 179.24 177.51 1mre h GLU 185 N -0.30 0.91 -0.26 3.56 4.81 -1.91 -2.82 114.58 118.56 1mre h GLU 185 Ca -0.02 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1mre h GLU 185 Cb 0.24 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1mre h GLU 185 CO 0.03 0.84 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.16 1mre h TYR 186 N 0.82 -0.14 0.00 0.92 3.20 -1.24 -1.18 116.97 119.35 1mre h TYR 186 Ca 0.18 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1mre h TYR 186 Cb 0.33 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1mre h TYR 186 CO 0.02 -0.12 -0.01 0.93 -1.64 0.00 0.00 178.16 177.34 1mre h GLU 187 N -0.00 0.00 0.00 1.82 4.39 -1.14 -2.80 114.58 116.85 1mre h GLU 187 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1mre h GLU 187 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1mre h GLU 187 CO -0.27 0.01 0.00 0.54 -1.16 0.00 0.00 179.01 178.13 1mre n ARG 188 N -3.23 0.98 -4.43 2.33 1.74 -0.44 -4.89 116.66 108.72 1mre n ARG 188 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 1mre n ARG 188 Cb 0.13 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1mre n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1mre s HIS 189 N -2.00 1.80 0.00 -1.55 3.76 -1.06 -5.12 115.29 111.12 1mre s HIS 189 Ca 0.43 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1mre s HIS 189 Cb 0.20 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.75 1mre s HIS 189 CO 0.33 -0.18 0.00 0.09 -0.85 0.00 0.00 174.74 174.13 1mre n ASN 190 N -0.79 0.00 -4.82 1.40 4.13 -1.26 -4.81 115.26 109.11 1mre n ASN 190 Ca -0.02 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.87 1mre n ASN 190 Cb 0.66 -0.24 -0.07 0.00 -1.54 0.00 0.00 39.78 38.60 1mre n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1mre s SER 191 N -4.31 6.45 -0.21 6.41 1.04 -1.26 -2.03 113.70 119.80 1mre s SER 191 Ca 0.00 0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 1mre s SER 191 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1mre s SER 191 CO 0.00 0.30 -0.10 -0.31 0.98 0.00 0.00 173.24 174.11 1mre s TYR 192 N -0.53 2.90 -0.09 5.02 1.51 0.03 -1.67 117.35 124.53 1mre s TYR 192 Ca 0.16 -1.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.05 1mre s TYR 192 Cb -0.13 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1mre s TYR 192 CO 0.05 -0.64 -0.18 0.99 -1.11 0.00 0.00 175.55 174.65 1mre s THR 193 N 1.41 2.65 -0.26 -0.71 2.01 0.26 -1.84 115.64 119.16 1mre s THR 193 Ca 0.05 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 1mre s THR 193 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.33 1mre s THR 193 CO -0.07 0.56 0.01 0.00 -0.69 0.00 0.00 174.62 174.43 1mre s GLU 195 N 1.45 3.12 -0.05 0.00 2.02 0.18 -1.21 118.70 124.21 1mre s GLU 195 Ca 0.03 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1mre s GLU 195 Cb -0.16 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1mre s GLU 195 CO -0.01 -0.10 -0.14 0.00 0.02 0.00 0.00 175.26 175.04 1mre s ALA 196 N 1.07 2.68 -0.27 5.21 0.00 0.75 -0.18 121.76 131.02 1mre s ALA 196 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1mre s ALA 196 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.02 1mre s ALA 196 CO -0.05 0.54 -0.05 0.99 0.00 0.00 0.00 175.76 177.19 1mre s THR 197 N -0.68 2.75 0.08 0.00 2.01 0.59 -0.09 115.64 120.30 1mre s THR 197 Ca 0.10 -1.28 0.05 0.00 0.31 0.00 0.00 61.69 60.87 1mre s THR 197 Cb -0.11 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1mre s THR 197 CO 0.01 0.05 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.58 1mre s HIS 198 N 1.25 1.13 0.12 4.92 2.46 -1.26 -1.60 115.29 122.32 1mre s HIS 198 Ca -0.04 -0.53 0.31 0.00 0.47 0.00 0.00 55.06 55.27 1mre s HIS 198 Cb -0.18 -0.63 1.65 0.00 -0.13 0.00 0.00 32.58 33.28 1mre s HIS 198 CO -0.04 0.04 1.94 1.57 -2.47 0.00 0.00 174.74 175.78 1mre h LYS 199 N 4.02 0.00 0.00 2.88 5.09 -1.96 -1.79 116.57 124.81 1mre h LYS 199 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 1mre h LYS 199 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.52 1mre h LYS 199 CO 0.45 0.00 0.00 0.25 -2.09 0.00 0.00 179.45 178.06 1mre n THR 200 N -2.59 0.04 -4.29 0.07 -2.24 -1.26 -4.79 114.28 99.22 1mre n THR 200 Ca -0.02 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1mre n THR 200 Cb 0.06 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.63 1mre n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1mre s SER 201 N -2.85 0.93 -0.05 3.42 0.15 -0.67 -5.01 113.70 109.61 1mre s SER 201 Ca 0.19 -0.17 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 1mre s SER 201 Cb 0.19 -0.09 -0.17 0.00 -1.71 0.00 0.00 66.02 64.23 1mre s SER 201 CO 0.49 0.08 0.94 0.74 1.20 0.00 0.00 173.24 176.69 1mre h THR 202 N 4.92 1.00 -3.40 6.45 2.02 -1.87 -3.43 112.91 118.61 1mre h THR 202 Ca -0.30 -1.21 -0.52 0.00 0.77 0.00 0.00 66.41 65.15 1mre h THR 202 Cb 1.18 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1mre h THR 202 CO 0.49 0.26 -0.08 -0.94 0.37 0.00 0.00 175.52 175.62 1mre s SER 203 N -5.56 6.55 0.49 4.18 1.04 -1.26 -5.05 113.70 114.09 1mre s SER 203 Ca -0.14 0.89 -0.23 0.00 0.48 0.00 0.00 55.95 56.96 1mre s SER 203 Cb 0.00 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.84 1mre s SER 203 CO 0.52 -0.18 1.26 -2.16 0.98 0.00 0.00 173.24 173.66 1mre s PRO 204 N -3.26 3.50 -0.21 4.02 0.04 -1.26 -4.90 135.00 132.92 1mre s PRO 204 Ca 0.47 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.26 1mre s PRO 204 Cb -0.11 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1mre s PRO 204 CO 0.26 -0.83 0.79 0.96 0.04 0.00 0.00 177.00 178.22 1mre s ILE 205 N -1.43 4.88 0.04 0.56 -0.00 0.87 -4.87 121.20 121.26 1mre s ILE 205 Ca 0.67 1.51 0.06 0.00 -0.00 0.00 0.00 60.65 62.88 1mre s ILE 205 Cb -0.34 -4.09 -0.03 0.00 -0.00 0.00 0.00 42.46 38.00 1mre s ILE 205 CO 0.41 -0.01 -0.12 -0.69 -0.00 0.00 0.00 174.94 174.53 1mre s VAL 206 N 2.48 3.24 -0.11 8.37 1.01 -1.26 -0.18 120.40 133.95 1mre s VAL 206 Ca 0.34 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1mre s VAL 206 Cb -0.16 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1mre s VAL 206 CO 0.09 0.31 0.22 -0.75 0.00 0.00 0.00 175.10 174.97 1mre s LYS 207 N -1.59 0.11 0.14 2.72 2.47 -0.35 -5.02 119.74 118.22 1mre s LYS 207 Ca 0.17 0.66 0.03 0.00 -1.56 0.00 0.00 55.97 55.27 1mre s LYS 207 Cb -0.11 -0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.09 1mre s LYS 207 CO 0.08 -0.29 -0.06 -1.12 0.16 0.00 0.00 175.35 174.12 1mre s SER 208 N 2.29 1.47 -0.06 1.43 0.01 -1.26 -0.46 113.70 117.12 1mre s SER 208 Ca 0.01 -1.06 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1mre s SER 208 Cb -0.12 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1mre s SER 208 CO -0.07 -0.44 0.22 0.72 0.41 0.00 0.00 173.24 174.07 1mre s PHE 209 N -3.50 -0.18 0.05 2.43 -0.12 -0.77 -4.99 117.98 110.91 1mre s PHE 209 Ca 0.18 0.40 0.06 0.00 -0.05 0.00 0.00 56.93 57.52 1mre s PHE 209 Cb 0.04 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1mre s PHE 209 CO 0.00 -0.19 -0.13 -0.80 -0.05 0.00 0.00 175.22 174.05 1mre s ASN 210 N -0.40 4.14 -1.04 1.98 -0.87 -1.26 -0.79 114.94 116.70 1mre s ASN 210 Ca -0.05 -0.35 -0.23 0.00 -1.57 0.00 0.00 52.86 50.66 1mre s ASN 210 Cb -0.03 -0.78 0.01 0.00 -0.02 0.00 0.00 41.25 40.43 1mre s ASN 210 CO 0.01 0.24 1.68 -0.13 -2.57 0.00 0.00 177.10 176.33 1mre s ARG 211 N -1.62 3.24 0.00 -0.60 0.52 -0.86 -4.15 118.95 115.48 1mre s ARG 211 Ca 0.17 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1mre s ARG 211 Cb -0.11 -5.28 0.00 0.00 0.52 0.00 0.00 34.95 30.08 1mre s ARG 211 CO 0.08 -2.72 0.00 0.09 0.02 0.00 0.00 175.30 172.77 1mre n ASN 212 N 10.84 0.00 -0.80 0.23 3.02 -1.26 -5.05 115.26 122.24 1mre n ASN 212 Ca 0.38 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 1mre n ASN 212 Cb 0.49 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.90 1mre n ASN 212 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02