#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhe s HIS 3 N 0.00 1.47 0.07 0.66 4.02 -1.10 -4.98 115.29 115.43 1mhe s HIS 3 Ca 0.00 -1.19 -0.21 0.00 1.02 0.00 0.00 55.06 54.68 1mhe s HIS 3 Cb 0.00 -0.85 0.05 0.00 -1.02 0.00 0.00 32.58 30.77 1mhe s HIS 3 CO 0.00 -0.35 0.51 -1.54 1.02 0.00 0.00 174.74 174.37 1mhe s SER 4 N -3.28 -0.42 -0.15 1.40 1.04 -1.26 -0.89 113.70 110.13 1mhe s SER 4 Ca 0.37 0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.86 1mhe s SER 4 Cb 0.08 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1mhe s SER 4 CO 0.13 -0.77 -0.08 -0.22 0.98 0.00 0.00 173.24 173.28 1mhe s LEU 5 N -2.21 1.60 -0.03 2.42 2.96 -0.92 -1.46 118.68 121.04 1mhe s LEU 5 Ca -0.03 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.22 1mhe s LEU 5 Cb -0.00 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1mhe s LEU 5 CO -0.05 -0.15 0.18 -1.59 -1.32 0.00 0.00 176.35 173.43 1mhe s LYS 6 N 1.60 0.41 0.32 1.98 -2.85 -0.38 -2.34 119.74 118.48 1mhe s LYS 6 Ca 0.02 -0.13 0.10 0.00 -1.00 0.00 0.00 55.97 54.96 1mhe s LYS 6 Cb -0.14 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.75 1mhe s LYS 6 CO -0.08 -0.09 -0.07 0.71 0.10 0.00 0.00 175.35 175.91 1mhe s TYR 7 N -0.83 2.46 -0.18 1.78 1.51 -0.75 -0.29 117.35 121.05 1mhe s TYR 7 Ca -0.09 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1mhe s TYR 7 Cb -0.05 -1.32 0.07 0.00 -0.11 0.00 0.00 41.96 40.56 1mhe s TYR 7 CO 0.01 0.58 0.15 -0.06 -1.11 0.00 0.00 175.55 175.13 1mhe s PHE 8 N -2.53 -0.04 -0.10 2.71 0.40 -0.33 -3.30 117.98 114.80 1mhe s PHE 8 Ca 0.33 -0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1mhe s PHE 8 Cb -0.01 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1mhe s PHE 8 CO 0.17 -0.54 0.04 -1.01 0.70 0.00 0.00 175.22 174.58 1mhe s HIS 9 N 2.23 3.27 -0.01 0.36 3.76 -0.08 -2.48 115.29 122.33 1mhe s HIS 9 Ca 0.04 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 1mhe s HIS 9 Cb -0.16 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1mhe s HIS 9 CO -0.10 0.51 -0.05 0.99 -0.85 0.00 0.00 174.74 175.24 1mhe s THR 10 N -0.85 0.44 -0.05 1.30 2.01 0.17 -1.47 115.64 117.19 1mhe s THR 10 Ca 0.13 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1mhe s THR 10 Cb -0.12 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.02 1mhe s THR 10 CO 0.03 0.14 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.52 1mhe s SER 11 N 0.05 1.10 -0.08 3.53 0.15 -0.20 -0.78 113.70 117.47 1mhe s SER 11 Ca -0.00 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1mhe s SER 11 Cb -0.04 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1mhe s SER 11 CO -0.00 -0.10 -0.14 -0.69 1.20 0.00 0.00 173.24 173.50 1mhe s VAL 12 N 1.26 1.36 0.30 4.45 1.01 0.41 -1.43 120.40 127.76 1mhe s VAL 12 Ca -0.06 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 1mhe s VAL 12 Cb -0.14 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1mhe s VAL 12 CO -0.02 0.41 1.04 -0.94 0.00 0.00 0.00 175.10 175.58 1mhe s SER 13 N 0.77 7.27 -0.43 3.32 1.04 -0.59 0.32 113.70 125.40 1mhe s SER 13 Ca -0.12 2.11 0.03 0.00 0.48 0.00 0.00 55.95 58.45 1mhe s SER 13 Cb -0.16 -2.61 0.12 0.00 0.10 0.00 0.00 66.02 63.47 1mhe s SER 13 CO 0.02 -0.13 0.17 -0.13 0.98 0.00 0.00 173.24 174.16 1mhe s ARG 14 N -1.63 1.60 -0.17 4.02 0.52 -1.26 -4.30 118.95 117.73 1mhe s ARG 14 Ca 0.47 -2.15 -0.28 0.00 -0.52 0.00 0.00 55.73 53.24 1mhe s ARG 14 Cb -0.27 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.11 1mhe s ARG 14 CO 0.35 -1.05 2.15 -1.25 0.02 0.00 0.00 175.30 175.52 1mhe s PRO 15 N 0.36 3.35 0.00 3.54 0.04 -1.26 -2.65 135.00 138.38 1mhe s PRO 15 Ca 0.14 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1mhe s PRO 15 Cb -0.23 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1mhe s PRO 15 CO -0.05 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1mhe n GLY 16 N 5.49 2.85 0.00 0.56 0.00 -1.26 -4.82 105.19 108.01 1mhe n GLY 16 Ca 0.27 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1mhe n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mhe n ARG 17 N 0.00 0.23 0.00 1.61 1.74 -1.08 -4.93 116.66 114.23 1mhe n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1mhe n ARG 17 Cb 0.00 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1mhe n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mhe n GLY 18 N -0.45 0.77 3.56 -0.13 0.00 -1.17 -4.91 105.19 102.86 1mhe n GLY 18 Ca 0.04 -0.73 -0.60 0.00 0.00 0.00 0.00 46.02 44.72 1mhe n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mhe n GLU 19 N 12.31 0.09 -1.81 1.61 2.13 -1.26 -4.21 120.64 129.49 1mhe n GLU 19 Ca 0.00 0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.46 1mhe n GLU 19 Cb 0.00 -1.54 0.03 0.00 0.27 0.00 0.00 31.44 30.20 1mhe n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1mhe s PRO 20 N 0.67 3.36 0.25 5.31 0.04 -1.26 -4.70 135.00 138.67 1mhe s PRO 20 Ca 0.93 2.28 -0.30 0.00 0.04 0.00 0.00 61.00 63.96 1mhe s PRO 20 Cb -1.29 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 1mhe s PRO 20 CO 0.61 -1.03 1.26 0.50 0.04 0.00 0.00 177.00 178.39 1mhe s ARG 21 N -2.73 4.44 -0.01 4.56 3.00 0.15 -4.81 118.95 123.54 1mhe s ARG 21 Ca 0.67 2.03 0.00 0.00 -1.00 0.00 0.00 55.73 57.44 1mhe s ARG 21 Cb -0.41 -3.17 0.01 0.00 0.00 0.00 0.00 34.95 31.39 1mhe s ARG 21 CO 0.50 -0.14 0.00 0.12 0.00 0.00 0.00 175.30 175.79 1mhe s PHE 22 N -0.45 0.15 -0.03 5.12 2.19 -1.26 -0.44 117.98 123.26 1mhe s PHE 22 Ca 0.52 0.02 -0.02 0.00 0.33 0.00 0.00 56.93 57.78 1mhe s PHE 22 Cb -0.36 -0.21 0.02 0.00 -1.31 0.00 0.00 43.02 41.15 1mhe s PHE 22 CO 0.42 -0.06 0.08 0.42 1.83 0.00 0.00 175.22 177.91 1mhe s ILE 23 N 0.54 -0.02 0.02 3.12 1.01 0.04 -2.47 121.20 123.45 1mhe s ILE 23 Ca -0.05 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1mhe s ILE 23 Cb -0.07 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1mhe s ILE 23 CO -0.01 0.03 -0.17 -0.44 0.00 0.00 0.00 174.94 174.35 1mhe s SER 24 N 0.49 1.99 -0.02 3.58 0.01 0.00 -0.65 113.70 119.10 1mhe s SER 24 Ca -0.04 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1mhe s SER 24 Cb -0.05 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.00 1mhe s SER 24 CO -0.02 0.14 0.08 0.68 0.41 0.00 0.00 173.24 174.53 1mhe s VAL 25 N -0.63 0.02 0.07 3.43 -7.23 -1.04 -0.35 120.40 114.68 1mhe s VAL 25 Ca 0.05 -0.13 0.08 0.00 -1.81 0.00 0.00 61.98 60.17 1mhe s VAL 25 Cb -0.07 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 1mhe s VAL 25 CO 0.01 -0.07 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.73 1mhe s GLY 26 N -0.20 1.65 0.03 2.32 0.00 -0.92 -1.19 107.32 109.02 1mhe s GLY 26 Ca -0.03 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1mhe s GLY 26 CO 0.00 -1.18 -0.05 -0.19 0.00 0.00 0.00 173.10 171.68 1mhe s TYR 27 N -1.05 0.45 -0.19 1.90 1.51 0.61 -0.68 117.35 119.90 1mhe s TYR 27 Ca 0.17 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1mhe s TYR 27 Cb -0.11 -0.29 0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1mhe s TYR 27 CO 0.08 -0.13 -0.11 0.08 -1.11 0.00 0.00 175.55 174.35 1mhe s VAL 28 N -1.38 1.66 0.00 0.71 1.01 0.01 -1.25 120.40 121.16 1mhe s VAL 28 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1mhe s VAL 28 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1mhe s VAL 28 CO -0.00 0.23 0.00 0.47 0.00 0.00 0.00 175.10 175.80 1mhe n ASP 29 N 4.69 0.00 -1.72 3.32 8.00 -0.54 -0.15 116.55 130.15 1mhe n ASP 29 Ca -0.15 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.43 1mhe n ASP 29 Cb 0.47 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.95 1mhe n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mhe n ASP 30 N 6.30 5.24 -4.29 -2.24 8.00 -1.26 -4.89 116.55 123.40 1mhe n ASP 30 Ca 0.00 -2.70 -0.34 0.00 0.71 0.00 0.00 54.79 52.46 1mhe n ASP 30 Cb 0.00 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 1mhe n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1mhe s THR 31 N -2.32 3.14 0.11 -3.53 2.01 0.78 -5.04 115.64 110.80 1mhe s THR 31 Ca 0.53 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1mhe s THR 31 Cb 0.37 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 1mhe s THR 31 CO 0.20 0.46 1.09 -1.58 -0.69 0.00 0.00 174.62 174.10 1mhe s GLN 32 N 1.26 4.56 -0.01 4.92 0.74 -1.26 -0.81 119.66 129.07 1mhe s GLN 32 Ca 0.03 1.66 0.02 0.00 0.05 0.00 0.00 55.36 57.11 1mhe s GLN 32 Cb -0.14 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1mhe s GLN 32 CO -0.03 -0.01 0.03 1.97 -0.55 0.00 0.00 175.29 176.70 1mhe n PHE 33 N 3.03 0.00 -4.09 1.67 -1.74 0.14 -4.48 117.46 111.99 1mhe n PHE 33 Ca 0.05 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.80 1mhe n PHE 33 Cb 0.47 -0.05 -0.05 0.00 1.52 0.00 0.00 39.48 41.37 1mhe n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1mhe s VAL 34 N -2.10 0.00 -0.18 1.97 -7.23 -1.24 0.71 120.40 112.32 1mhe s VAL 34 Ca -0.01 -1.62 -0.35 0.00 -1.81 0.00 0.00 61.98 58.19 1mhe s VAL 34 Cb 0.01 -2.55 0.14 0.00 0.56 0.00 0.00 36.38 34.53 1mhe s VAL 34 CO 0.07 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 176.06 1mhe s ARG 35 N -3.32 0.33 -0.01 4.82 1.04 -0.51 -2.16 118.95 119.14 1mhe s ARG 35 Ca 0.30 -0.12 0.01 0.00 -1.04 0.00 0.00 55.73 54.88 1mhe s ARG 35 Cb 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 34.95 33.06 1mhe s ARG 35 CO 0.18 -0.14 -0.05 0.12 -0.04 0.00 0.00 175.30 175.37 1mhe s PHE 36 N -2.44 0.47 -0.15 5.89 2.19 0.53 -1.23 117.98 123.24 1mhe s PHE 36 Ca 0.09 -0.09 -0.06 0.00 0.33 0.00 0.00 56.93 57.20 1mhe s PHE 36 Cb -0.01 -0.34 0.07 0.00 -1.31 0.00 0.00 43.02 41.42 1mhe s PHE 36 CO -0.05 -0.04 0.32 0.34 1.83 0.00 0.00 175.22 177.62 1mhe s ASP 37 N 0.10 -0.04 0.25 6.13 -1.08 -1.26 -0.82 116.67 119.96 1mhe s ASP 37 Ca -0.01 0.72 0.08 0.00 -0.52 0.00 0.00 52.55 52.82 1mhe s ASP 37 Cb -0.04 0.82 0.29 0.00 -1.46 0.00 0.00 42.92 42.52 1mhe s ASP 37 CO -0.00 -0.22 1.58 -0.55 0.52 0.00 0.00 175.17 176.50 1mhe h ASN 38 N 7.89 0.11 -0.24 -0.34 7.08 -1.86 -3.13 115.58 125.09 1mhe h ASN 38 Ca -0.23 -0.07 -0.07 0.00 -3.08 0.00 0.00 56.30 52.86 1mhe h ASN 38 Cb 1.13 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 37.32 1mhe h ASN 38 CO 0.20 0.71 -0.06 0.44 -2.08 0.00 0.00 177.43 176.64 1mhe h ASP 39 N 0.07 0.57 -2.03 6.14 5.19 -1.97 -3.44 116.42 120.96 1mhe h ASP 39 Ca -0.01 -0.13 -0.62 0.00 -0.62 0.00 0.00 57.03 55.65 1mhe h ASP 39 Cb 1.13 -0.15 0.15 0.00 0.18 0.00 0.00 39.33 40.64 1mhe h ASP 39 CO 0.09 0.68 -0.59 0.00 -3.12 0.00 0.00 179.24 176.30 1mhe n ALA 40 N -2.48 -2.08 -0.22 3.45 0.00 -1.18 -4.87 120.51 113.13 1mhe n ALA 40 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 1mhe n ALA 40 Cb 0.30 -1.67 0.06 0.00 0.00 0.00 0.00 19.45 18.14 1mhe n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mhe h ALA 41 N 0.67 0.34 -2.70 0.00 0.00 -1.89 -3.15 119.26 112.53 1mhe h ALA 41 Ca -0.38 0.24 -0.73 0.00 0.00 0.00 0.00 54.91 54.04 1mhe h ALA 41 Cb 1.42 0.57 -0.29 0.00 0.00 0.00 0.00 17.79 19.49 1mhe h ALA 41 CO 0.50 -0.47 -0.31 0.45 0.00 0.00 0.00 179.25 179.42 1mhe s SER 42 N -5.22 5.82 -0.96 0.00 0.15 -1.26 -5.03 113.70 107.20 1mhe s SER 42 Ca -0.14 -2.15 -0.24 0.00 0.70 0.00 0.00 55.95 54.12 1mhe s SER 42 Cb 0.19 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1mhe s SER 42 CO 0.73 -0.64 1.65 -2.84 1.20 0.00 0.00 173.24 173.34 1mhe s PRO 43 N 1.01 3.14 -0.06 5.44 0.02 -1.19 -4.88 135.00 138.47 1mhe s PRO 43 Ca 0.09 -0.73 -0.31 0.00 0.02 0.00 0.00 61.00 60.06 1mhe s PRO 43 Cb -0.23 -5.19 0.12 0.00 0.02 0.00 0.00 34.50 29.21 1mhe s PRO 43 CO -0.02 -2.69 1.19 -0.98 -0.33 0.00 0.00 177.00 174.17 1mhe s ARG 44 N 5.86 0.49 0.04 5.54 1.70 -1.26 -5.02 118.95 126.28 1mhe s ARG 44 Ca 0.56 -0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.28 1mhe s ARG 44 Cb -0.03 0.19 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 1mhe s ARG 44 CO -0.05 -0.22 1.61 1.41 -1.08 0.00 0.00 175.30 176.97 1mhe s MET 45 N -2.58 4.21 0.19 3.89 -2.45 -1.26 -4.52 119.30 116.79 1mhe s MET 45 Ca 0.11 2.24 0.07 0.00 -1.25 0.00 0.00 55.69 56.87 1mhe s MET 45 Cb 0.01 -3.66 -0.05 0.00 1.25 0.00 0.00 34.83 32.39 1mhe s MET 45 CO -0.04 -0.72 -0.14 0.14 1.05 0.00 0.00 175.02 175.31 1mhe s VAL 46 N 2.82 1.65 0.54 10.11 -7.23 -0.37 -4.92 120.40 123.01 1mhe s VAL 46 Ca 0.72 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1mhe s VAL 46 Cb -0.37 -1.99 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 1mhe s VAL 46 CO 0.31 -0.60 0.96 -2.84 -0.31 0.00 0.00 175.10 172.61 1mhe s PRO 47 N -3.60 3.75 0.00 4.82 0.02 -1.26 -1.43 135.00 137.30 1mhe s PRO 47 Ca 0.21 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1mhe s PRO 47 Cb -0.01 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1mhe s PRO 47 CO 0.06 -0.36 0.35 0.54 -0.33 0.00 0.00 177.00 177.26 1mhe n ARG 48 N -2.09 -0.13 -3.79 5.54 5.12 0.22 -4.83 116.66 116.72 1mhe n ARG 48 Ca 0.05 -0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 55.43 1mhe n ARG 48 Cb 0.54 -0.76 -0.15 0.00 -1.16 0.00 0.00 32.46 30.93 1mhe n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mhe s ALA 49 N -0.10 -0.00 0.29 7.54 0.00 -1.17 -4.79 121.76 123.53 1mhe s ALA 49 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1mhe s ALA 49 Cb 0.00 -0.24 0.72 0.00 0.00 0.00 0.00 23.12 23.60 1mhe s ALA 49 CO 0.00 -0.10 1.74 -1.35 0.00 0.00 0.00 175.76 176.06 1mhe h PRO 50 N 7.05 0.58 0.00 0.00 0.11 -1.95 -1.24 132.00 136.55 1mhe h PRO 50 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mhe h PRO 50 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1mhe h PRO 50 CO 0.47 0.39 0.00 -2.67 -0.21 0.00 0.00 178.00 175.98 1mhe n TRP 51 N -4.89 0.00 -0.10 0.65 4.27 -1.26 -1.35 117.44 114.76 1mhe n TRP 51 Ca 0.22 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.70 1mhe n TRP 51 Cb 0.60 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.40 1mhe n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1mhe n MET 52 N -0.86 0.68 -0.32 -2.67 2.81 -0.47 -4.60 117.12 111.69 1mhe n MET 52 Ca 0.04 0.09 0.34 0.00 -1.81 0.00 0.00 57.70 56.36 1mhe n MET 52 Cb 0.02 -1.56 0.61 0.00 -0.71 0.00 0.00 33.22 31.57 1mhe n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1mhe h GLU 53 N 0.00 0.00 -0.97 0.03 5.08 -1.34 -1.35 114.58 116.04 1mhe h GLU 53 Ca -0.53 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.76 1mhe h GLU 53 Cb 2.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.31 1mhe h GLU 53 CO 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 179.01 178.10 1mhe n GLN 54 N -3.56 1.49 -3.83 2.33 0.00 -1.26 -4.87 117.38 107.68 1mhe n GLN 54 Ca 0.27 -0.67 -0.37 0.00 0.00 0.00 0.00 57.00 56.23 1mhe n GLN 54 Cb 1.53 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 30.29 1mhe n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1mhe s GLU 55 N -0.97 3.52 1.00 2.61 0.41 -0.51 -5.09 118.70 119.67 1mhe s GLU 55 Ca 0.12 -0.06 -0.11 0.00 -0.41 0.00 0.00 54.97 54.51 1mhe s GLU 55 Cb 0.10 -3.20 0.19 0.00 -1.78 0.00 0.00 34.13 29.44 1mhe s GLU 55 CO 0.03 0.76 1.11 0.20 -0.49 0.00 0.00 175.26 176.86 1mhe s GLY 56 N -1.01 1.64 0.54 -1.39 0.00 -1.26 -4.89 107.32 100.95 1mhe s GLY 56 Ca 0.16 0.37 0.33 0.00 0.00 0.00 0.00 44.72 45.58 1mhe s GLY 56 CO 0.05 0.89 1.95 1.76 0.00 0.00 0.00 173.10 177.75 1mhe h SER 57 N -2.14 0.00 -0.28 1.64 0.02 -2.00 -2.71 113.55 108.09 1mhe h SER 57 Ca -0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1mhe h SER 57 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1mhe h SER 57 CO 0.44 0.00 0.16 -0.08 -1.14 0.00 0.00 176.83 176.21 1mhe h GLU 58 N 0.00 0.38 0.23 3.45 4.81 -1.99 -1.11 114.58 120.35 1mhe h GLU 58 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1mhe h GLU 58 Cb 0.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1mhe h GLU 58 CO 0.00 0.32 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.47 1mhe h TYR 59 N 0.34 -0.58 -0.90 0.92 3.20 -1.84 0.33 116.97 118.44 1mhe h TYR 59 Ca 0.10 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.14 1mhe h TYR 59 Cb 0.04 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1mhe h TYR 59 CO -0.04 -0.28 0.58 -1.49 -1.64 0.00 0.00 178.16 175.29 1mhe h TRP 60 N -0.43 0.74 0.04 -3.82 4.06 -1.54 0.09 115.95 115.09 1mhe h TRP 60 Ca -0.03 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 1mhe h TRP 60 Cb 0.37 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1mhe h TRP 60 CO -0.12 0.23 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.54 1mhe h ASP 61 N 0.59 -0.05 -0.15 -3.49 3.32 -0.92 -0.70 116.42 115.03 1mhe h ASP 61 Ca 0.47 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1mhe h ASP 61 Cb 0.90 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1mhe h ASP 61 CO -0.21 0.39 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.42 1mhe h ARG 62 N -0.50 -0.22 -0.55 3.56 1.12 -0.06 -0.96 114.38 116.77 1mhe h ARG 62 Ca -0.01 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1mhe h ARG 62 Cb 0.45 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.43 1mhe h ARG 62 CO 0.01 -0.15 0.34 0.93 -3.11 0.00 0.00 179.97 178.00 1mhe h GLU 63 N -0.23 0.67 -0.71 0.20 4.39 -1.02 -0.95 114.58 116.93 1mhe h GLU 63 Ca 0.10 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.88 1mhe h GLU 63 Cb 0.38 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1mhe h GLU 63 CO -0.28 0.44 0.47 1.15 -1.16 0.00 0.00 179.01 179.63 1mhe h THR 64 N 0.69 0.88 0.70 1.13 2.02 -0.02 -0.78 112.91 117.53 1mhe h THR 64 Ca 0.21 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1mhe h THR 64 Cb -0.02 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1mhe h THR 64 CO -0.08 0.09 -0.34 0.03 0.37 0.00 0.00 175.52 175.60 1mhe h ARG 65 N 0.51 -0.91 -0.79 6.66 3.08 0.07 -0.74 114.38 122.27 1mhe h ARG 65 Ca 0.33 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.63 1mhe h ARG 65 Cb 0.61 0.21 -0.14 0.00 0.08 0.00 0.00 29.97 30.73 1mhe h ARG 65 CO -0.11 -0.58 0.00 0.77 -1.07 0.00 0.00 179.97 178.99 1mhe h SER 66 N -1.17 -0.37 0.50 7.04 0.02 -0.88 0.28 113.55 118.98 1mhe h SER 66 Ca -0.10 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1mhe h SER 66 Cb 0.75 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1mhe h SER 66 CO 0.16 -0.20 -0.33 0.00 -1.14 0.00 0.00 176.83 175.32 1mhe h ALA 67 N 1.74 -0.82 -0.23 3.77 0.00 -1.10 -0.44 119.26 122.19 1mhe h ALA 67 Ca 0.43 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1mhe h ALA 67 Cb 0.78 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1mhe h ALA 67 CO -0.70 -0.98 -0.14 0.00 0.00 0.00 0.00 179.25 177.44 1mhe h ARG 68 N -0.80 -0.11 -0.50 0.00 3.08 0.96 0.08 114.38 117.08 1mhe h ARG 68 Ca -0.06 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1mhe h ARG 68 Cb 0.67 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 1mhe h ARG 68 CO 0.04 -0.07 0.07 -0.44 -1.07 0.00 0.00 179.97 178.50 1mhe h ASP 69 N -0.12 -0.06 -0.81 7.04 3.32 -0.51 -0.47 116.42 124.81 1mhe h ASP 69 Ca 0.13 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.33 1mhe h ASP 69 Cb 0.31 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 1mhe h ASP 69 CO -0.31 -0.00 0.50 0.74 -1.72 0.00 0.00 179.24 178.45 1mhe h THR 70 N 0.20 1.04 -0.74 0.35 2.02 0.49 0.77 112.91 117.05 1mhe h THR 70 Ca 0.25 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1mhe h THR 70 Cb 0.36 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1mhe h THR 70 CO -0.36 0.17 0.49 0.00 0.37 0.00 0.00 175.52 176.19 1mhe h ALA 71 N 1.38 1.56 0.69 6.16 0.00 0.60 -0.72 119.26 128.93 1mhe h ALA 71 Ca 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1mhe h ALA 71 Cb 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mhe h ALA 71 CO -0.16 0.36 -0.33 1.96 0.00 0.00 0.00 179.25 181.08 1mhe h GLN 72 N 0.91 -0.90 -1.04 0.00 1.08 -0.27 -0.69 115.11 114.21 1mhe h GLN 72 Ca 0.30 0.06 0.27 0.00 -1.45 0.00 0.00 58.65 57.82 1mhe h GLN 72 Cb 0.05 0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.58 1mhe h GLN 72 CO -0.08 -0.60 0.66 0.82 -0.95 0.00 0.00 178.83 178.67 1mhe h ILE 73 N -1.06 0.52 -0.21 2.54 1.08 -0.99 0.68 117.51 120.06 1mhe h ILE 73 Ca -0.10 -0.15 -0.14 0.00 -0.39 0.00 0.00 64.86 64.08 1mhe h ILE 73 Cb 0.71 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1mhe h ILE 73 CO 0.16 0.08 -0.46 -0.26 -0.69 0.00 0.00 178.15 176.98 1mhe h PHE 74 N 0.43 0.65 -0.77 1.37 -1.00 -0.95 0.24 116.94 116.92 1mhe h PHE 74 Ca 0.61 -0.20 0.05 0.00 2.81 0.00 0.00 57.97 61.24 1mhe h PHE 74 Cb 1.46 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 40.84 1mhe h PHE 74 CO -0.00 0.90 0.47 -0.09 -1.61 0.00 0.00 178.31 177.97 1mhe h ARG 75 N 0.43 0.85 0.71 1.51 2.43 0.19 0.52 114.38 121.02 1mhe h ARG 75 Ca 0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1mhe h ARG 75 Cb 0.97 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1mhe h ARG 75 CO 0.09 0.56 -0.34 0.28 -1.51 0.00 0.00 179.97 179.05 1mhe h VAL 76 N 0.88 0.00 -1.21 0.20 2.07 -0.78 -2.66 116.25 114.75 1mhe h VAL 76 Ca 0.33 -0.21 0.38 0.00 0.82 0.00 0.00 66.70 68.03 1mhe h VAL 76 Cb 0.13 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.77 1mhe h VAL 76 CO -0.16 0.00 0.77 0.78 0.02 0.00 0.00 177.57 178.98 1mhe h ASN 77 N -1.16 0.32 0.56 0.57 2.35 -0.05 0.47 115.58 118.65 1mhe h ASN 77 Ca -0.10 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1mhe h ASN 77 Cb 0.73 0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.21 1mhe h ASN 77 CO 0.16 -0.12 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.48 1mhe h LEU 78 N 0.18 -0.64 -0.50 1.61 3.38 0.33 0.55 115.31 120.21 1mhe h LEU 78 Ca 0.76 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.74 1mhe h LEU 78 Cb 2.22 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 43.11 1mhe h LEU 78 CO -0.42 -0.41 0.32 0.08 0.09 0.00 0.00 178.44 178.10 1mhe h ARG 79 N -0.82 0.63 -0.40 1.13 0.11 0.15 -0.85 114.38 114.33 1mhe h ARG 79 Ca -0.08 -0.04 0.08 0.00 0.10 0.00 0.00 59.98 60.04 1mhe h ARG 79 Cb 0.60 -0.14 -0.09 0.00 1.11 0.00 0.00 29.97 31.45 1mhe h ARG 79 CO 0.13 0.41 -0.34 1.15 0.10 0.00 0.00 179.97 181.43 1mhe h THR 80 N 0.65 0.22 -0.70 0.08 2.02 -0.55 -0.34 112.91 114.29 1mhe h THR 80 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1mhe h THR 80 Cb -0.03 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1mhe h THR 80 CO -0.06 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.18 1mhe h LEU 81 N -0.26 0.84 -1.67 2.58 3.38 -0.32 0.11 115.31 119.97 1mhe h LEU 81 Ca 0.17 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.32 1mhe h LEU 81 Cb 0.54 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1mhe h LEU 81 CO -0.55 0.65 0.63 -0.09 0.09 0.00 0.00 178.44 179.17 1mhe h ARG 82 N 0.95 0.24 0.31 1.13 2.43 0.31 -0.47 114.38 119.28 1mhe h ARG 82 Ca 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1mhe h ARG 82 Cb -0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1mhe h ARG 82 CO -0.05 0.16 -0.15 0.78 -1.51 0.00 0.00 179.97 179.20 1mhe h GLY 83 N 0.25 -0.44 -1.21 2.80 0.00 0.48 -0.22 103.07 104.72 1mhe h GLY 83 Ca 0.47 0.16 0.45 0.00 0.00 0.00 0.00 47.33 48.42 1mhe h GLY 83 CO -0.13 -0.16 0.88 -0.97 0.00 0.00 0.00 176.54 176.17 1mhe h TYR 84 N -0.60 0.49 -0.09 5.60 -1.99 -0.36 0.23 116.97 120.25 1mhe h TYR 84 Ca -0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1mhe h TYR 84 Cb 0.32 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1mhe h TYR 84 CO 0.07 -0.22 0.00 0.66 -0.00 0.00 0.00 178.16 178.68 1mhe n TYR 85 N -4.67 0.09 -3.47 4.88 4.02 -0.45 -5.00 117.16 112.56 1mhe n TYR 85 Ca 0.38 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.99 1mhe n TYR 85 Cb 1.49 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.87 1mhe n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1mhe n ASN 86 N 1.24 -5.89 -4.59 7.72 3.02 0.80 -4.99 115.26 112.57 1mhe n ASN 86 Ca 0.14 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.58 1mhe n ASN 86 Cb 0.55 -4.28 -0.08 0.00 -0.61 0.00 0.00 39.78 35.35 1mhe n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1mhe s GLN 87 N -5.21 2.12 0.27 3.52 -0.21 -0.43 -5.05 119.66 114.66 1mhe s GLN 87 Ca 0.46 -1.47 -0.06 0.00 0.02 0.00 0.00 55.36 54.31 1mhe s GLN 87 Cb -0.11 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1mhe s GLN 87 CO 0.80 0.37 0.54 -1.54 -2.12 0.00 0.00 175.29 173.34 1mhe s SER 88 N -3.49 6.47 0.00 5.90 1.04 -1.26 -4.81 113.70 117.55 1mhe s SER 88 Ca 0.30 0.73 0.12 0.00 0.48 0.00 0.00 55.95 57.58 1mhe s SER 88 Cb -0.06 -2.15 0.55 0.00 0.10 0.00 0.00 66.02 64.46 1mhe s SER 88 CO 0.18 -0.16 1.36 -0.62 0.98 0.00 0.00 173.24 174.98 1mhe n GLU 89 N -0.75 0.06 0.14 4.02 1.02 -1.26 -2.73 120.64 121.14 1mhe n GLU 89 Ca -0.01 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.39 1mhe n GLU 89 Cb 0.54 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.61 1mhe n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mhe h ALA 90 N 2.47 0.81 -2.08 0.62 0.00 -1.99 -3.42 119.26 115.67 1mhe h ALA 90 Ca 0.00 -0.52 -0.46 0.00 0.00 0.00 0.00 54.91 53.93 1mhe h ALA 90 Cb 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mhe h ALA 90 CO 0.00 0.71 -0.12 0.20 0.00 0.00 0.00 179.25 180.04 1mhe s GLY 91 N -4.47 1.53 0.17 0.00 0.00 -1.11 -4.77 107.32 98.67 1mhe s GLY 91 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1mhe s GLY 91 CO 0.74 -0.91 0.34 -0.45 0.00 0.00 0.00 173.10 172.82 1mhe s SER 92 N -4.18 6.37 0.07 1.64 0.15 -1.26 -4.69 113.70 111.80 1mhe s SER 92 Ca 0.47 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 1mhe s SER 92 Cb -0.10 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1mhe s SER 92 CO 0.37 0.01 0.25 -1.00 1.20 0.00 0.00 173.24 174.07 1mhe s HIS 93 N -1.78 0.02 -0.02 3.44 3.76 -1.26 -4.97 115.29 114.48 1mhe s HIS 93 Ca 0.37 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.03 1mhe s HIS 93 Cb -0.11 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 1mhe s HIS 93 CO 0.28 -0.52 -0.17 0.99 -0.85 0.00 0.00 174.74 174.47 1mhe s THR 94 N -3.19 1.40 -0.05 1.30 2.01 -1.26 -1.55 115.64 114.29 1mhe s THR 94 Ca -0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1mhe s THR 94 Cb 0.02 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1mhe s THR 94 CO -0.07 0.40 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.96 1mhe s LEU 95 N -0.30 1.46 0.06 4.42 2.96 -0.51 -0.76 118.68 126.02 1mhe s LEU 95 Ca 0.04 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1mhe s LEU 95 Cb -0.08 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 1mhe s LEU 95 CO 0.00 -0.02 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.76 1mhe s GLN 96 N 0.82 0.90 -0.07 1.98 -0.21 -0.63 -1.03 119.66 121.42 1mhe s GLN 96 Ca -0.12 -0.92 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 1mhe s GLN 96 Cb -0.15 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 32.95 1mhe s GLN 96 CO 0.02 0.22 0.17 -0.46 -2.12 0.00 0.00 175.29 173.11 1mhe s TRP 97 N -1.13 -0.19 -0.04 0.91 -0.00 -0.54 -1.75 118.94 116.20 1mhe s TRP 97 Ca 0.00 0.48 -0.05 0.00 -0.00 0.00 0.00 56.10 56.53 1mhe s TRP 97 Cb -0.09 0.05 0.01 0.00 -0.00 0.00 0.00 33.47 33.44 1mhe s TRP 97 CO 0.02 -0.10 0.12 0.00 -0.00 0.00 0.00 176.95 176.99 1mhe s MET 98 N 0.23 0.22 -0.03 5.86 0.23 -1.06 -0.91 119.30 123.85 1mhe s MET 98 Ca -0.01 0.03 -0.19 0.00 -1.03 0.00 0.00 55.69 54.50 1mhe s MET 98 Cb -0.02 0.10 0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1mhe s MET 98 CO -0.01 -0.04 0.40 -3.38 -2.03 0.00 0.00 175.02 169.97 1mhe s HIS 99 N -0.28 -0.31 0.07 3.16 -3.43 -1.21 -2.13 115.29 111.16 1mhe s HIS 99 Ca -0.04 0.53 -0.26 0.00 -0.80 0.00 0.00 55.06 54.50 1mhe s HIS 99 Cb -0.03 0.17 0.08 0.00 -1.43 0.00 0.00 32.58 31.38 1mhe s HIS 99 CO 0.00 -0.43 0.72 0.20 -2.00 0.00 0.00 174.74 173.23 1mhe s GLY 100 N -1.18 -0.55 0.02 -1.38 0.00 -1.05 -1.80 107.32 101.37 1mhe s GLY 100 Ca -0.12 0.82 0.06 0.00 0.00 0.00 0.00 44.72 45.48 1mhe s GLY 100 CO 0.05 0.34 -0.17 0.00 0.00 0.00 0.00 173.10 173.32 1mhe s GLU 102 N -0.85 1.61 -0.04 0.00 2.02 0.09 -2.17 118.70 119.35 1mhe s GLU 102 Ca 0.06 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 1mhe s GLU 102 Cb -0.08 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 1mhe s GLU 102 CO 0.01 0.46 0.08 -0.51 0.02 0.00 0.00 175.26 175.32 1mhe s LEU 103 N -1.28 3.95 0.00 1.80 1.43 -0.07 -1.18 118.68 123.33 1mhe s LEU 103 Ca 0.10 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1mhe s LEU 103 Cb -0.10 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 44.05 1mhe s LEU 103 CO 0.02 0.32 0.53 0.61 0.23 0.00 0.00 176.35 178.06 1mhe n GLY 104 N 1.53 0.04 0.29 -3.19 0.00 -0.45 -2.70 105.19 100.70 1mhe n GLY 104 Ca -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1mhe n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mhe h PRO 105 N 0.00 0.62 0.00 1.61 0.11 -1.98 -0.58 132.00 131.78 1mhe h PRO 105 Ca -0.17 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1mhe h PRO 105 Cb 0.57 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1mhe h PRO 105 CO 0.16 0.55 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1mhe n ASP 106 N -4.34 0.00 -2.60 -2.05 5.75 -1.26 -4.80 116.55 107.26 1mhe n ASP 106 Ca 0.03 -0.46 -0.21 0.00 -0.01 0.00 0.00 54.79 54.14 1mhe n ASP 106 Cb 0.18 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.28 1mhe n ASP 106 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mhe n ARG 107 N -0.90 -3.22 -4.19 0.11 5.12 -0.22 -4.99 116.66 108.36 1mhe n ARG 107 Ca 0.07 0.92 -0.12 0.00 -1.93 0.00 0.00 57.85 56.80 1mhe n ARG 107 Cb 0.03 -5.62 -0.10 0.00 -1.16 0.00 0.00 32.46 25.61 1mhe n ARG 107 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1mhe s ARG 108 N -5.34 0.89 0.07 5.56 0.52 -1.26 -4.88 118.95 114.52 1mhe s ARG 108 Ca 0.15 -1.36 -0.36 0.00 -0.52 0.00 0.00 55.73 53.64 1mhe s ARG 108 Cb -0.07 -0.32 -0.19 0.00 0.52 0.00 0.00 34.95 34.90 1mhe s ARG 108 CO 0.19 0.01 0.90 0.34 0.02 0.00 0.00 175.30 176.76 1mhe n PHE 109 N -0.07 0.32 0.05 -0.53 7.35 -1.26 -1.35 117.46 121.97 1mhe n PHE 109 Ca -0.12 1.01 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 1mhe n PHE 109 Cb 0.61 -2.06 0.00 0.00 0.35 0.00 0.00 39.48 38.38 1mhe n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1mhe n LEU 110 N 1.70 0.98 -3.62 -2.13 7.94 -0.33 -4.69 117.00 116.85 1mhe n LEU 110 Ca 0.19 0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 1mhe n LEU 110 Cb 0.14 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.75 1mhe n LEU 110 CO 0.59 -0.67 0.19 -0.60 -1.11 0.00 0.00 177.39 175.79 1mhe s ARG 111 N -2.00 1.04 0.12 1.96 3.52 -1.21 -5.02 118.95 117.36 1mhe s ARG 111 Ca 0.00 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1mhe s ARG 111 Cb 0.00 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 1mhe s ARG 111 CO 0.00 -0.39 0.02 0.20 -0.81 0.00 0.00 175.30 174.32 1mhe s GLY 112 N -2.50 0.94 0.27 8.12 0.00 -1.26 -0.73 107.32 112.16 1mhe s GLY 112 Ca -0.00 -1.45 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 1mhe s GLY 112 CO -0.08 -1.40 0.70 -2.52 0.00 0.00 0.00 173.10 169.80 1mhe s TYR 113 N -3.92 -0.22 -0.29 1.90 -0.85 -0.36 -4.97 117.35 108.64 1mhe s TYR 113 Ca 0.21 -0.21 -0.25 0.00 -0.52 0.00 0.00 57.07 56.30 1mhe s TYR 113 Cb 0.07 0.68 0.16 0.00 0.38 0.00 0.00 41.96 43.25 1mhe s TYR 113 CO -0.00 -1.19 1.25 -2.00 -1.52 0.00 0.00 175.55 172.09 1mhe s GLU 114 N -3.90 0.27 -0.19 -3.49 2.12 -1.26 -2.54 118.70 109.71 1mhe s GLU 114 Ca 0.10 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 1mhe s GLU 114 Cb -0.05 0.13 0.12 0.00 0.26 0.00 0.00 34.13 34.59 1mhe s GLU 114 CO 0.05 -0.03 1.00 1.14 -0.54 0.00 0.00 175.26 176.87 1mhe s GLN 115 N 0.13 0.58 0.30 4.30 -2.07 -0.91 -1.57 119.66 120.43 1mhe s GLN 115 Ca 0.05 0.26 0.08 0.00 -1.82 0.00 0.00 55.36 53.93 1mhe s GLN 115 Cb -0.05 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1mhe s GLN 115 CO -0.11 -0.16 0.18 -0.06 -1.32 0.00 0.00 175.29 173.82 1mhe s PHE 116 N -0.77 2.88 -0.23 9.60 0.40 -0.10 -2.56 117.98 127.20 1mhe s PHE 116 Ca -0.01 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.90 1mhe s PHE 116 Cb -0.02 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 42.03 1mhe s PHE 116 CO -0.00 0.39 0.58 0.00 0.70 0.00 0.00 175.22 176.89 1mhe s ALA 117 N -2.29 -1.50 -0.05 5.36 0.00 -0.72 -1.54 121.76 121.02 1mhe s ALA 117 Ca 0.36 1.86 0.02 0.00 0.00 0.00 0.00 51.96 54.21 1mhe s ALA 117 Cb -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1mhe s ALA 117 CO 0.24 -0.31 -0.10 -0.47 0.00 0.00 0.00 175.76 175.13 1mhe s TYR 118 N 0.92 2.84 -1.50 0.00 5.04 -0.64 -1.61 117.35 122.40 1mhe s TYR 118 Ca -0.05 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.52 1mhe s TYR 118 Cb -0.05 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1mhe s TYR 118 CO -0.08 0.29 0.03 -0.25 -1.34 0.00 0.00 175.55 174.19 1mhe n ASP 119 N 2.17 0.74 -2.78 4.32 8.00 0.06 -0.76 116.55 128.31 1mhe n ASP 119 Ca -0.17 -1.25 -0.21 0.00 0.71 0.00 0.00 54.79 53.86 1mhe n ASP 119 Cb 0.53 -1.56 0.03 0.00 -0.02 0.00 0.00 41.12 40.10 1mhe n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mhe n GLY 120 N -2.54 -0.46 2.89 0.44 0.00 -1.26 -5.01 105.19 99.24 1mhe n GLY 120 Ca -0.31 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1mhe n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mhe s LYS 121 N -5.54 0.05 0.03 1.61 2.20 0.06 -5.10 119.74 113.05 1mhe s LYS 121 Ca 0.24 0.25 -0.37 0.00 -0.36 0.00 0.00 55.97 55.72 1mhe s LYS 121 Cb -0.11 -0.14 -0.17 0.00 -1.51 0.00 0.00 37.83 35.91 1mhe s LYS 121 CO 0.30 -0.12 1.39 -0.25 -0.36 0.00 0.00 175.35 176.30 1mhe n ASP 122 N 3.88 1.68 0.00 1.43 9.92 -1.26 -1.62 116.55 130.58 1mhe n ASP 122 Ca -0.23 1.11 -0.00 0.00 -0.53 0.00 0.00 54.79 55.14 1mhe n ASP 122 Cb 0.53 -1.17 -0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1mhe n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mhe n TYR 123 N 2.90 0.00 -4.32 1.24 4.19 -0.59 -4.71 117.16 115.87 1mhe n TYR 123 Ca 0.20 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.18 1mhe n TYR 123 Cb 0.18 -0.01 -0.12 0.00 0.49 0.00 0.00 39.34 39.88 1mhe n TYR 123 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1mhe s LEU 124 N -5.24 2.39 -0.11 2.98 2.96 -1.13 -0.70 118.68 119.83 1mhe s LEU 124 Ca -0.01 -0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 1mhe s LEU 124 Cb 0.00 -0.84 0.03 0.00 0.50 0.00 0.00 46.19 45.88 1mhe s LEU 124 CO 0.01 -0.01 0.30 -0.89 -1.32 0.00 0.00 176.35 174.44 1mhe s THR 125 N -1.76 -0.00 0.00 3.68 2.01 -1.07 -0.92 115.64 117.57 1mhe s THR 125 Ca 0.13 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1mhe s THR 125 Cb -0.07 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1mhe s THR 125 CO 0.06 0.01 0.89 -0.22 -0.69 0.00 0.00 174.62 174.66 1mhe s LEU 126 N 0.31 4.38 0.80 4.42 2.96 -0.61 -1.38 118.68 129.56 1mhe s LEU 126 Ca -0.01 1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 55.32 1mhe s LEU 126 Cb -0.03 -3.42 0.07 0.00 0.50 0.00 0.00 46.19 43.31 1mhe s LEU 126 CO -0.01 -0.17 1.09 0.20 -1.32 0.00 0.00 176.35 176.13 1mhe s ASN 127 N 0.74 4.41 0.19 3.68 0.01 0.04 -4.66 114.94 119.34 1mhe s ASN 127 Ca 0.46 1.54 -0.13 0.00 -0.71 0.00 0.00 52.86 54.02 1mhe s ASN 127 Cb -0.20 -2.28 0.20 0.00 0.41 0.00 0.00 41.25 39.37 1mhe s ASN 127 CO 0.25 -2.05 1.70 -0.33 -1.51 0.00 0.00 177.10 175.16 1mhe h GLU 128 N -1.14 0.19 0.00 -0.60 5.08 -1.93 0.41 114.58 116.59 1mhe h GLU 128 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1mhe h GLU 128 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1mhe h GLU 128 CO 0.56 0.12 0.00 0.38 -1.00 0.00 0.00 179.01 179.07 1mhe h ASP 129 N 0.19 0.00 -2.02 1.42 2.03 -1.93 -3.46 116.42 112.65 1mhe h ASP 129 Ca 0.25 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.24 1mhe h ASP 129 Cb 0.36 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.83 1mhe h ASP 129 CO -0.36 0.00 -0.39 0.18 -1.03 0.00 0.00 179.24 177.65 1mhe n LEU 130 N -2.30 -1.63 0.00 0.15 4.77 0.13 -4.86 117.00 113.26 1mhe n LEU 130 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1mhe n LEU 130 Cb 0.04 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 1mhe n LEU 130 CO 0.10 -0.25 0.13 0.54 -1.33 0.00 0.00 177.39 176.58 1mhe n ARG 131 N -2.50 -0.35 -3.85 3.23 1.74 -1.26 -4.55 116.66 109.12 1mhe n ARG 131 Ca -0.18 -0.27 -0.11 0.00 -0.77 0.00 0.00 57.85 56.52 1mhe n ARG 131 Cb 0.62 -0.73 -0.10 0.00 -1.02 0.00 0.00 32.46 31.24 1mhe n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1mhe s SER 132 N -0.03 -0.00 0.58 0.55 1.04 -1.26 -4.87 113.70 109.70 1mhe s SER 132 Ca 0.00 -0.18 0.10 0.00 0.48 0.00 0.00 55.95 56.35 1mhe s SER 132 Cb 0.00 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.43 1mhe s SER 132 CO 0.00 -0.39 0.79 0.26 0.98 0.00 0.00 173.24 174.87 1mhe s TRP 133 N -1.45 1.39 -0.27 5.02 0.52 -1.26 -0.78 118.94 122.10 1mhe s TRP 133 Ca -0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 56.10 55.23 1mhe s TRP 133 Cb -0.07 -2.20 0.16 0.00 -1.15 0.00 0.00 33.47 30.21 1mhe s TRP 133 CO 0.02 -1.15 0.49 0.99 0.02 0.00 0.00 176.95 177.31 1mhe s THR 134 N -2.67 -0.80 0.33 2.01 2.01 -0.48 -4.78 115.64 111.25 1mhe s THR 134 Ca 0.61 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 1mhe s THR 134 Cb -0.06 -0.91 -0.11 0.00 0.01 0.00 0.00 72.50 71.44 1mhe s THR 134 CO 0.39 -0.07 1.44 0.00 -0.69 0.00 0.00 174.62 175.69 1mhe s ALA 135 N 2.70 3.59 -0.42 7.40 0.00 -1.26 -2.59 121.76 131.17 1mhe s ALA 135 Ca 0.16 1.44 0.10 0.00 0.00 0.00 0.00 51.96 53.66 1mhe s ALA 135 Cb -0.15 -3.57 0.40 0.00 0.00 0.00 0.00 23.12 19.81 1mhe s ALA 135 CO -0.19 -0.87 0.97 0.28 0.00 0.00 0.00 175.76 175.95 1mhe n VAL 136 N 1.16 1.68 0.00 0.00 0.31 0.12 -4.96 118.33 116.64 1mhe n VAL 136 Ca 0.03 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.91 1mhe n VAL 136 Cb 0.40 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1mhe n VAL 136 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mhe n ASP 137 N -0.18 0.00 0.03 4.52 -0.08 -1.26 -4.47 116.55 115.10 1mhe n ASP 137 Ca 0.26 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.68 1mhe n ASP 137 Cb 0.66 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.67 1mhe n ASP 137 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1mhe n THR 138 N -0.58 0.17 0.07 5.18 -1.04 -1.26 -3.16 114.28 113.67 1mhe n THR 138 Ca 0.00 -0.08 -0.21 0.00 -2.04 0.00 0.00 64.05 61.72 1mhe n THR 138 Cb 0.00 -0.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.85 1mhe n THR 138 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe h ALA 139 N 2.86 -0.06 0.00 2.41 0.00 -1.96 -3.20 119.26 119.30 1mhe h ALA 139 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1mhe h ALA 139 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1mhe h ALA 139 CO 0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1mhe n ALA 140 N -2.67 1.34 -0.23 0.00 0.00 -1.19 -2.90 120.51 114.87 1mhe n ALA 140 Ca -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1mhe n ALA 140 Cb 0.89 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 19.38 1mhe n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mhe h GLN 141 N 0.00 0.51 0.42 0.00 1.08 -1.63 0.60 115.11 116.10 1mhe h GLN 141 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1mhe h GLN 141 Cb 0.08 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1mhe h GLN 141 CO 0.00 0.34 -0.20 0.82 -0.95 0.00 0.00 178.83 178.83 1mhe h ILE 142 N 0.52 0.43 -1.03 2.54 5.03 -1.78 -2.80 117.51 120.42 1mhe h ILE 142 Ca 0.34 -0.55 0.29 0.00 -0.12 0.00 0.00 64.86 64.82 1mhe h ILE 142 Cb 0.40 0.63 -0.05 0.00 -3.03 0.00 0.00 36.82 34.76 1mhe h ILE 142 CO -0.29 0.08 0.73 0.28 -0.68 0.00 0.00 178.15 178.26 1mhe h SER 143 N -0.95 0.09 0.52 1.72 0.02 -1.64 -0.04 113.55 113.28 1mhe h SER 143 Ca -0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1mhe h SER 143 Cb 0.56 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 1mhe h SER 143 CO 0.10 0.02 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.48 1mhe h GLU 144 N 0.09 -0.67 -0.91 3.45 4.81 0.48 -2.39 114.58 119.43 1mhe h GLU 144 Ca 0.51 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.82 1mhe h GLU 144 Cb 1.87 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 31.35 1mhe h GLU 144 CO -0.06 -0.45 0.59 -0.56 -0.73 0.00 0.00 179.01 177.80 1mhe h GLN 145 N -0.81 1.12 -0.57 1.92 3.07 -1.17 -0.72 115.11 117.94 1mhe h GLN 145 Ca -0.07 -0.07 0.11 0.00 0.09 0.00 0.00 58.65 58.72 1mhe h GLN 145 Cb 0.53 -0.25 -0.11 0.00 0.08 0.00 0.00 27.48 27.73 1mhe h GLN 145 CO 0.12 0.74 -0.15 -0.22 0.09 0.00 0.00 178.83 179.40 1mhe h LYS 146 N 1.15 -0.01 -0.38 0.06 3.64 -1.06 0.38 116.57 120.35 1mhe h LYS 146 Ca 0.36 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1mhe h LYS 146 Cb -0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1mhe h LYS 146 CO -0.11 -0.01 -0.28 0.77 -2.27 0.00 0.00 179.45 177.55 1mhe h SER 147 N -0.01 0.83 0.67 4.20 0.02 -0.74 -1.72 113.55 116.80 1mhe h SER 147 Ca 0.27 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1mhe h SER 147 Cb 0.43 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1mhe h SER 147 CO -0.59 1.06 -0.21 0.78 -1.14 0.00 0.00 176.83 176.73 1mhe h ASN 148 N 0.69 0.00 0.10 3.07 2.35 0.51 0.16 115.58 122.46 1mhe h ASN 148 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.64 1mhe h ASN 148 Cb 0.81 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.19 1mhe h ASN 148 CO 0.07 0.21 -0.95 0.44 -1.65 0.00 0.00 177.43 175.54 1mhe h ASP 149 N 0.00 0.34 0.45 5.81 3.32 -0.11 -3.23 116.42 123.00 1mhe h ASP 149 Ca -0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1mhe h ASP 149 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1mhe h ASP 149 CO 0.03 1.43 0.00 0.00 -1.72 0.00 0.00 179.24 178.98 1mhe n ALA 150 N -2.83 1.53 -3.27 3.45 0.00 -0.67 -4.87 120.51 113.86 1mhe n ALA 150 Ca -0.19 -0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1mhe n ALA 150 Cb 0.79 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1mhe n ALA 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mhe n SER 151 N -1.69 -6.14 -0.23 0.00 2.88 -0.02 -4.89 113.62 103.52 1mhe n SER 151 Ca 0.02 -0.40 -0.05 0.00 -1.33 0.00 0.00 58.87 57.11 1mhe n SER 151 Cb 0.15 -4.91 0.05 0.00 -0.75 0.00 0.00 64.21 58.75 1mhe n SER 151 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1mhe h GLU 152 N -1.90 0.85 -1.12 -1.46 4.39 -1.71 -1.93 114.58 111.72 1mhe h GLU 152 Ca -0.55 -0.05 0.32 0.00 0.34 0.00 0.00 59.36 59.42 1mhe h GLU 152 Cb 1.37 -0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.72 1mhe h GLU 152 CO 0.57 0.57 0.72 0.00 -1.16 0.00 0.00 179.01 179.71 1mhe h ALA 153 N 1.25 2.39 0.06 3.43 0.00 -1.90 -2.66 119.26 121.83 1mhe h ALA 153 Ca 0.24 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1mhe h ALA 153 Cb -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mhe h ALA 153 CO -0.06 -0.86 -0.08 1.49 0.00 0.00 0.00 179.25 179.74 1mhe h GLU 154 N 0.29 -0.14 0.00 0.00 4.57 -1.64 -2.06 114.58 115.60 1mhe h GLU 154 Ca 0.66 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 1mhe h GLU 154 Cb 1.83 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 1mhe h GLU 154 CO -0.33 -0.10 0.00 1.12 -1.18 0.00 0.00 179.01 178.53 1mhe h HIS 155 N -0.15 0.00 -0.79 0.92 2.07 -1.65 -1.49 115.15 114.07 1mhe h HIS 155 Ca -0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 1mhe h HIS 155 Cb 0.13 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.08 1mhe h HIS 155 CO -0.15 0.00 0.42 1.96 -3.07 0.00 0.00 177.93 177.09 1mhe h GLN 156 N 0.00 1.11 -0.63 5.12 1.08 -1.29 0.18 115.11 120.68 1mhe h GLN 156 Ca 0.00 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1mhe h GLN 156 Cb 0.51 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1mhe h GLN 156 CO 0.00 0.83 0.26 -0.09 -0.95 0.00 0.00 178.83 178.88 1mhe h ARG 157 N 1.10 0.91 0.10 1.46 2.43 -0.56 -0.78 114.38 119.04 1mhe h ARG 157 Ca 0.28 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1mhe h ARG 157 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1mhe h ARG 157 CO -0.04 0.74 -0.05 0.00 -1.51 0.00 0.00 179.97 179.11 1mhe h ALA 158 N 1.39 -0.13 0.33 2.80 0.00 -0.53 0.50 119.26 123.62 1mhe h ALA 158 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mhe h ALA 158 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mhe h ALA 158 CO -0.02 -0.54 -0.36 -0.92 0.00 0.00 0.00 179.25 177.41 1mhe h TYR 159 N -0.20 -0.98 -0.34 0.00 3.20 -0.28 0.34 116.97 118.72 1mhe h TYR 159 Ca -0.01 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1mhe h TYR 159 Cb 0.16 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 1mhe h TYR 159 CO -0.05 -0.50 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.81 1mhe h LEU 160 N -0.73 -0.34 -0.40 2.82 3.38 -1.06 0.20 115.31 119.18 1mhe h LEU 160 Ca -0.02 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1mhe h LEU 160 Cb 0.66 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1mhe h LEU 160 CO -0.08 -0.12 -0.57 -0.33 0.09 0.00 0.00 178.44 177.42 1mhe h GLU 161 N -0.01 0.70 0.00 1.13 5.08 -0.60 -3.35 114.58 117.52 1mhe h GLU 161 Ca 0.16 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1mhe h GLU 161 Cb 0.26 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1mhe h GLU 161 CO -0.36 1.08 0.00 -0.25 -1.00 0.00 0.00 179.01 178.48 1mhe n ASP 162 N -3.97 0.00 -0.37 1.42 8.00 0.08 -4.50 116.55 117.21 1mhe n ASP 162 Ca -0.04 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.42 1mhe n ASP 162 Cb 0.63 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1mhe n ASP 162 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1mhe n THR 163 N -1.47 -0.54 -0.11 -3.53 -1.04 -1.02 -0.76 114.28 105.82 1mhe n THR 163 Ca 0.00 2.23 -0.05 0.00 -2.04 0.00 0.00 64.05 64.19 1mhe n THR 163 Cb 0.00 -2.89 0.01 0.00 -1.82 0.00 0.00 70.33 65.63 1mhe n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe h VAL 165 N 0.01 0.00 -0.94 0.00 2.07 -1.08 -0.78 116.25 115.53 1mhe h VAL 165 Ca 0.18 -0.06 0.16 0.00 0.82 0.00 0.00 66.70 67.80 1mhe h VAL 165 Cb 0.27 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.87 1mhe h VAL 165 CO -0.37 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 176.81 1mhe h GLU 166 N -1.22 -0.02 -0.29 1.57 4.81 -0.82 0.38 114.58 119.00 1mhe h GLU 166 Ca -0.12 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1mhe h GLU 166 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1mhe h GLU 166 CO 0.19 -0.01 -0.28 -1.49 -0.73 0.00 0.00 179.01 176.69 1mhe h TRP 167 N -0.02 0.66 -0.36 0.92 4.06 -1.19 -2.79 115.95 117.23 1mhe h TRP 167 Ca 0.38 -0.16 0.07 0.00 2.06 0.00 0.00 58.89 61.24 1mhe h TRP 167 Cb 0.63 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.57 1mhe h TRP 167 CO -0.80 0.80 -0.02 1.25 -3.56 0.00 0.00 178.44 176.11 1mhe h LEU 168 N 0.50 -0.19 -0.06 -4.49 5.85 0.13 -0.49 115.31 116.56 1mhe h LEU 168 Ca 0.07 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1mhe h LEU 168 Cb 0.74 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1mhe h LEU 168 CO 0.06 -0.05 -0.34 0.45 -0.34 0.00 0.00 178.44 178.21 1mhe h HIS 169 N 0.08 -0.95 -0.67 1.25 3.86 -1.07 -0.70 115.15 116.95 1mhe h HIS 169 Ca 0.18 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.57 1mhe h HIS 169 Cb 0.25 0.43 -0.11 0.00 1.06 0.00 0.00 27.41 29.04 1mhe h HIS 169 CO -0.27 -0.42 0.06 0.87 0.86 0.00 0.00 177.93 179.03 1mhe h LYS 170 N -0.46 0.16 -0.95 2.45 1.57 -1.10 0.13 116.57 118.37 1mhe h LYS 170 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1mhe h LYS 170 Cb 0.57 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1mhe h LYS 170 CO -0.32 0.11 0.60 1.88 -0.57 0.00 0.00 179.45 181.15 1mhe h TYR 171 N 0.17 1.22 -0.90 -1.35 0.05 0.07 -0.39 116.97 115.85 1mhe h TYR 171 Ca 0.36 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.17 1mhe h TYR 171 Cb 0.61 -0.41 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 1mhe h TYR 171 CO -0.34 0.79 0.60 -0.07 -1.05 0.00 0.00 178.16 178.09 1mhe h LEU 172 N 1.30 1.03 0.52 3.88 3.38 0.63 -1.13 115.31 124.92 1mhe h LEU 172 Ca 0.34 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1mhe h LEU 172 Cb -0.10 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.40 1mhe h LEU 172 CO -0.07 0.74 -0.25 -0.33 0.09 0.00 0.00 178.44 178.62 1mhe h GLU 173 N 1.21 -0.68 0.00 1.13 5.08 -0.54 0.66 114.58 121.45 1mhe h GLU 173 Ca 0.33 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1mhe h GLU 173 Cb -0.13 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mhe h GLU 173 CO -0.07 -0.40 0.31 0.87 -1.00 0.00 0.00 179.01 178.72 1mhe h LYS 174 N -1.12 0.00 0.00 2.33 1.57 -0.98 -1.06 116.57 117.31 1mhe h LYS 174 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1mhe h LYS 174 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1mhe h LYS 174 CO 0.12 0.00 -0.17 0.41 -0.57 0.00 0.00 179.45 179.24 1mhe n GLY 175 N -1.25 1.75 0.31 3.86 0.00 -0.44 -4.83 105.19 104.58 1mhe n GLY 175 Ca -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1mhe n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mhe h LYS 176 N 0.00 0.08 -0.93 1.61 3.64 0.17 0.37 116.57 121.51 1mhe h LYS 176 Ca 0.00 -0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.65 1mhe h LYS 176 Cb 1.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1mhe h LYS 176 CO 0.00 0.05 0.93 0.93 -2.27 0.00 0.00 179.45 179.09 1mhe h GLU 177 N 0.08 0.00 0.00 1.90 4.39 -1.84 0.20 114.58 119.31 1mhe h GLU 177 Ca 0.49 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 1mhe h GLU 177 Cb 0.93 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1mhe h GLU 177 CO -0.76 0.00 -1.01 2.41 -1.16 0.00 0.00 179.01 178.48 1mhe n THR 178 N -3.59 0.06 0.24 1.13 -1.04 0.99 -4.33 114.28 107.74 1mhe n THR 178 Ca 0.20 -0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.30 1mhe n THR 178 Cb 1.23 -1.51 0.62 0.00 -1.82 0.00 0.00 70.33 68.84 1mhe n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1mhe h LEU 179 N -0.02 0.00 0.00 -4.42 3.38 -0.63 -3.01 115.31 110.61 1mhe h LEU 179 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mhe h LEU 179 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1mhe h LEU 179 CO -0.01 0.13 -1.10 0.18 0.09 0.00 0.00 178.44 177.74 1mhe n LEU 180 N -4.11 0.83 -4.68 1.67 4.77 0.70 -4.90 117.00 111.29 1mhe n LEU 180 Ca -0.02 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1mhe n LEU 180 Cb 0.21 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1mhe n LEU 180 CO 0.34 0.20 0.76 -2.28 -1.33 0.00 0.00 177.39 175.08 1mhe s HIS 181 N -3.07 3.44 -0.03 -1.77 2.46 -1.14 -5.02 115.29 110.17 1mhe s HIS 181 Ca 0.06 1.45 -0.21 0.00 0.47 0.00 0.00 55.06 56.83 1mhe s HIS 181 Cb 0.16 -3.15 -0.05 0.00 -0.13 0.00 0.00 32.58 29.41 1mhe s HIS 181 CO 0.86 -0.29 0.62 -0.51 -2.47 0.00 0.00 174.74 172.96 1mhe s LEU 182 N 2.32 4.38 -0.36 8.88 1.43 -1.26 -4.90 118.68 129.17 1mhe s LEU 182 Ca 0.44 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1mhe s LEU 182 Cb -0.17 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.19 1mhe s LEU 182 CO 0.13 0.04 0.08 -0.70 0.23 0.00 0.00 176.35 176.13 1mhe s GLU 183 N 0.12 1.49 0.72 1.70 2.56 -0.81 -4.96 118.70 119.52 1mhe s GLU 183 Ca 0.33 -1.92 -0.15 0.00 0.00 0.00 0.00 54.97 53.22 1mhe s GLU 183 Cb -0.18 -3.14 0.03 0.00 2.00 0.00 0.00 34.13 32.85 1mhe s GLU 183 CO 0.17 -0.97 1.19 -1.25 -0.56 0.00 0.00 175.26 173.85 1mhe s PRO 184 N 0.80 2.26 0.32 4.30 0.04 -1.26 -1.67 135.00 139.78 1mhe s PRO 184 Ca 0.12 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1mhe s PRO 184 Cb -0.20 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1mhe s PRO 184 CO -0.08 -1.73 1.01 -1.25 0.04 0.00 0.00 177.00 174.99 1mhe s PRO 185 N -3.91 4.53 -0.19 0.56 0.04 -1.26 -4.61 135.00 130.16 1mhe s PRO 185 Ca 0.73 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1mhe s PRO 185 Cb -0.28 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1mhe s PRO 185 CO 0.44 0.19 0.63 0.15 0.04 0.00 0.00 177.00 178.45 1mhe s LYS 186 N -1.86 4.22 0.34 4.56 3.01 -0.79 -4.83 119.74 124.40 1mhe s LYS 186 Ca 0.49 0.62 0.08 0.00 -1.01 0.00 0.00 55.97 56.16 1mhe s LYS 186 Cb -0.24 -3.57 -0.04 0.00 -1.01 0.00 0.00 37.83 32.97 1mhe s LYS 186 CO 0.31 -0.22 0.18 0.99 0.51 0.00 0.00 175.35 177.12 1mhe s THR 187 N 1.84 3.20 0.00 2.17 2.01 -1.26 -1.12 115.64 122.48 1mhe s THR 187 Ca 0.29 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.69 1mhe s THR 187 Cb -0.16 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1mhe s THR 187 CO 0.11 -0.19 0.00 0.00 -0.69 0.00 0.00 174.62 173.85 1mhe n HIS 188 N -1.21 0.00 -4.22 4.92 1.44 -1.17 -5.01 115.22 109.97 1mhe n HIS 188 Ca -0.03 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.39 1mhe n HIS 188 Cb 0.61 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.62 1mhe n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1mhe s VAL 189 N -2.00 3.39 0.02 0.61 1.01 -1.26 -0.70 120.40 121.46 1mhe s VAL 189 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1mhe s VAL 189 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1mhe s VAL 189 CO 0.00 0.08 -0.13 0.42 0.00 0.00 0.00 175.10 175.47 1mhe s THR 190 N -1.27 1.03 -0.18 3.92 -4.23 -0.77 -4.97 115.64 109.17 1mhe s THR 190 Ca 0.22 -0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1mhe s THR 190 Cb -0.11 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1mhe s THR 190 CO 0.14 0.10 0.05 -2.28 -0.54 0.00 0.00 174.62 172.09 1mhe s HIS 191 N -0.64 3.22 -0.36 3.99 2.46 -1.26 -1.77 115.29 120.92 1mhe s HIS 191 Ca 0.02 0.00 -0.00 0.00 0.47 0.00 0.00 55.06 55.56 1mhe s HIS 191 Cb -0.07 -2.08 0.13 0.00 -0.13 0.00 0.00 32.58 30.43 1mhe s HIS 191 CO 0.01 0.10 0.19 -1.01 -2.47 0.00 0.00 174.74 171.56 1mhe s HIS 192 N 0.46 1.13 0.31 3.88 3.76 0.13 -4.93 115.29 120.03 1mhe s HIS 192 Ca 0.02 -1.76 -0.29 0.00 -0.15 0.00 0.00 55.06 52.88 1mhe s HIS 192 Cb -0.13 -1.28 -0.11 0.00 1.11 0.00 0.00 32.58 32.18 1mhe s HIS 192 CO 0.01 -0.82 1.54 -1.25 -0.85 0.00 0.00 174.74 173.37 1mhe s PRO 193 N 1.07 4.14 -0.09 8.40 0.04 -1.26 0.11 135.00 147.41 1mhe s PRO 193 Ca 0.16 2.54 -0.09 0.00 0.04 0.00 0.00 61.00 63.64 1mhe s PRO 193 Cb -0.22 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1mhe s PRO 193 CO -0.07 -0.57 -0.18 -0.89 0.04 0.00 0.00 177.00 175.32 1mhe n ILE 194 N 1.72 0.85 -4.09 0.56 5.41 -0.39 -4.88 119.36 118.55 1mhe n ILE 194 Ca 0.06 0.29 -0.04 0.00 1.00 0.00 0.00 62.75 64.06 1mhe n ILE 194 Cb 0.38 -1.93 -0.01 0.00 -0.71 0.00 0.00 39.64 37.37 1mhe n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1mhe n SER 195 N -3.58 2.12 0.00 4.38 3.41 -1.17 -4.97 113.62 113.81 1mhe n SER 195 Ca -0.07 -1.27 0.10 0.00 -0.26 0.00 0.00 58.87 57.37 1mhe n SER 195 Cb 0.27 0.05 0.50 0.00 -0.26 0.00 0.00 64.21 64.77 1mhe n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mhe n ASP 196 N -1.08 0.00 -0.01 4.04 9.92 -1.26 -3.51 116.55 124.64 1mhe n ASP 196 Ca -0.02 0.24 0.03 0.00 -0.53 0.00 0.00 54.79 54.51 1mhe n ASP 196 Cb 0.08 -0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 40.08 1mhe n ASP 196 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1mhe n HIS 197 N -1.39 0.00 -4.31 1.24 8.25 -1.26 -4.82 115.22 112.92 1mhe n HIS 197 Ca 0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.37 1mhe n HIS 197 Cb 0.21 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 1mhe n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1mhe s GLU 198 N -2.62 1.25 0.17 -0.41 2.02 -1.23 -0.40 118.70 117.48 1mhe s GLU 198 Ca -0.04 -1.59 -0.13 0.00 0.02 0.00 0.00 54.97 53.23 1mhe s GLU 198 Cb 0.06 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.56 1mhe s GLU 198 CO 0.42 0.02 0.39 0.00 0.02 0.00 0.00 175.26 176.11 1mhe s ALA 199 N -3.28 -0.48 -0.10 5.21 0.00 -0.30 -1.26 121.76 121.54 1mhe s ALA 199 Ca 0.23 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1mhe s ALA 199 Cb 0.03 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1mhe s ALA 199 CO 0.06 -0.70 -0.20 0.99 0.00 0.00 0.00 175.76 175.90 1mhe s THR 200 N -3.91 2.46 -0.20 0.00 2.01 0.12 -1.03 115.64 115.09 1mhe s THR 200 Ca 0.12 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 1mhe s THR 200 Cb 0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1mhe s THR 200 CO -0.03 0.55 0.06 -0.76 -0.69 0.00 0.00 174.62 173.75 1mhe s LEU 201 N 0.24 3.65 -0.25 4.42 1.43 -0.20 -0.69 118.68 127.27 1mhe s LEU 201 Ca -0.13 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1mhe s LEU 201 Cb -0.16 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1mhe s LEU 201 CO 0.07 0.10 -0.08 -0.60 0.23 0.00 0.00 176.35 176.07 1mhe s ARG 202 N 0.78 1.95 -0.34 1.70 3.52 -0.73 -0.63 118.95 125.21 1mhe s ARG 202 Ca 0.03 -1.21 -0.24 0.00 -0.13 0.00 0.00 55.73 54.17 1mhe s ARG 202 Cb -0.14 -2.77 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1mhe s ARG 202 CO 0.02 -0.60 0.84 0.00 -0.81 0.00 0.00 175.30 174.76 1mhe s TRP 204 N 3.18 3.43 -0.19 0.00 0.52 0.12 -1.53 118.94 124.47 1mhe s TRP 204 Ca 0.35 0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.48 1mhe s TRP 204 Cb -0.13 -1.62 0.10 0.00 -1.15 0.00 0.00 33.47 30.67 1mhe s TRP 204 CO 0.15 0.50 0.30 0.00 0.02 0.00 0.00 176.95 177.92 1mhe s ALA 205 N -1.82 -0.70 0.35 0.98 0.00 -0.56 -3.05 121.76 116.96 1mhe s ALA 205 Ca 0.34 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1mhe s ALA 205 Cb -0.10 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 1mhe s ALA 205 CO 0.28 -1.00 -0.07 -0.51 0.00 0.00 0.00 175.76 174.46 1mhe s LEU 206 N 2.45 2.72 -1.73 0.00 1.43 -0.28 -1.34 118.68 121.94 1mhe s LEU 206 Ca 0.06 -1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 51.79 1mhe s LEU 206 Cb -0.14 -0.92 0.13 0.00 0.03 0.00 0.00 46.19 45.29 1mhe s LEU 206 CO -0.12 -0.27 0.37 0.61 0.23 0.00 0.00 176.35 177.17 1mhe n GLY 207 N -0.80 -0.29 3.94 -3.19 0.00 -0.63 -1.88 105.19 102.35 1mhe n GLY 207 Ca -0.05 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1mhe n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhe s PHE 208 N -3.73 2.61 -0.29 1.61 -0.71 -0.70 -4.70 117.98 112.07 1mhe s PHE 208 Ca 0.47 -0.49 -0.23 0.00 -1.04 0.00 0.00 56.93 55.64 1mhe s PHE 208 Cb -0.27 -2.24 0.15 0.00 -1.21 0.00 0.00 43.02 39.44 1mhe s PHE 208 CO 1.01 -0.33 1.12 -0.47 -1.34 0.00 0.00 175.22 175.21 1mhe s TYR 209 N -2.45 -0.38 1.19 3.49 6.14 -0.67 -0.61 117.35 124.06 1mhe s TYR 209 Ca 0.51 0.88 -0.18 0.00 0.64 0.00 0.00 57.07 58.92 1mhe s TYR 209 Cb -0.06 0.37 0.28 0.00 0.42 0.00 0.00 41.96 42.97 1mhe s TYR 209 CO 0.30 -0.18 1.09 -1.25 0.64 0.00 0.00 175.55 176.15 1mhe s PRO 210 N 0.43 -1.11 0.55 4.97 0.04 -1.26 -1.92 135.00 136.70 1mhe s PRO 210 Ca 0.01 0.08 0.33 0.00 0.04 0.00 0.00 61.00 61.46 1mhe s PRO 210 Cb -0.05 -1.60 1.47 0.00 0.04 0.00 0.00 34.50 34.37 1mhe s PRO 210 CO -0.10 -3.66 2.03 0.00 0.04 0.00 0.00 177.00 175.30 1mhe h ALA 211 N -2.55 1.03 -2.50 8.56 0.00 -1.96 -3.44 119.26 118.40 1mhe h ALA 211 Ca -0.47 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 1mhe h ALA 211 Cb 1.31 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.12 1mhe h ALA 211 CO 0.38 0.06 1.02 -2.00 0.00 0.00 0.00 179.25 178.71 1mhe s GLU 212 N -3.79 4.17 0.21 0.00 2.56 -1.26 -4.96 118.70 115.63 1mhe s GLU 212 Ca -0.00 2.44 -0.23 0.00 0.00 0.00 0.00 54.97 57.18 1mhe s GLU 212 Cb 0.10 -3.51 0.05 0.00 2.00 0.00 0.00 34.13 32.76 1mhe s GLU 212 CO 0.54 -0.76 0.73 -1.50 -0.56 0.00 0.00 175.26 173.72 1mhe s ILE 213 N 2.41 0.00 -0.07 -3.70 2.07 -1.26 -4.71 121.20 115.94 1mhe s ILE 213 Ca 0.76 -0.61 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1mhe s ILE 213 Cb -0.43 -1.66 0.04 0.00 0.13 0.00 0.00 42.46 40.54 1mhe s ILE 213 CO 0.34 0.00 0.14 -0.89 -1.91 0.00 0.00 174.94 172.62 1mhe s THR 214 N -3.73 -0.10 -0.08 4.00 2.01 -0.91 -4.99 115.64 111.84 1mhe s THR 214 Ca 0.08 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1mhe s THR 214 Cb -0.04 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1mhe s THR 214 CO -0.00 0.09 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.04 1mhe s LEU 215 N 1.42 2.24 -0.06 4.42 1.43 -1.26 -1.54 118.68 125.32 1mhe s LEU 215 Ca -0.06 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1mhe s LEU 215 Cb -0.12 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1mhe s LEU 215 CO -0.06 0.22 0.13 -0.89 0.23 0.00 0.00 176.35 175.98 1mhe s THR 216 N 0.01 -0.15 -0.07 5.49 2.01 -0.34 -4.96 115.64 117.64 1mhe s THR 216 Ca -0.08 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 1mhe s THR 216 Cb -0.15 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1mhe s THR 216 CO 0.05 0.12 0.42 0.26 -0.69 0.00 0.00 174.62 174.78 1mhe s TRP 217 N 1.78 3.61 -0.16 4.92 0.23 -1.26 0.08 118.94 128.14 1mhe s TRP 217 Ca -0.02 0.90 -0.14 0.00 -2.03 0.00 0.00 56.10 54.81 1mhe s TRP 217 Cb -0.12 -2.40 0.04 0.00 0.03 0.00 0.00 33.47 31.02 1mhe s TRP 217 CO -0.05 0.40 0.43 1.14 0.96 0.00 0.00 176.95 179.83 1mhe s GLN 218 N -0.20 0.48 -0.12 4.98 -2.07 -0.88 -2.92 119.66 118.93 1mhe s GLN 218 Ca 0.24 0.62 -0.06 0.00 -1.82 0.00 0.00 55.36 54.34 1mhe s GLN 218 Cb -0.16 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 1mhe s GLN 218 CO 0.11 -0.07 0.10 1.14 -1.32 0.00 0.00 175.29 175.24 1mhe s GLN 219 N 0.40 3.40 -1.21 9.60 -2.07 -0.54 -2.39 119.66 126.85 1mhe s GLN 219 Ca -0.01 -0.22 -0.03 0.00 -1.82 0.00 0.00 55.36 53.28 1mhe s GLN 219 Cb -0.04 -3.10 0.02 0.00 -1.09 0.00 0.00 33.01 28.80 1mhe s GLN 219 CO -0.01 0.70 0.18 -0.25 -1.32 0.00 0.00 175.29 174.58 1mhe n ASP 220 N 2.21 -4.23 0.00 12.60 8.00 -0.51 -0.53 116.55 134.10 1mhe n ASP 220 Ca -0.19 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1mhe n ASP 220 Cb 0.54 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1mhe n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mhe n GLY 221 N -0.98 1.45 3.93 0.44 0.00 -1.26 -5.01 105.19 103.77 1mhe n GLY 221 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1mhe n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mhe s GLU 222 N -0.03 3.43 0.94 1.61 2.02 0.31 -5.09 118.70 121.90 1mhe s GLU 222 Ca 0.00 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.34 1mhe s GLU 222 Cb 0.00 -2.99 0.14 0.00 0.10 0.00 0.00 34.13 31.38 1mhe s GLU 222 CO 0.00 0.55 1.02 0.41 0.02 0.00 0.00 175.26 177.27 1mhe n GLY 223 N -0.25 -0.70 3.19 -1.39 0.00 -1.26 -1.46 105.19 103.31 1mhe n GLY 223 Ca -0.06 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1mhe n GLY 223 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mhe s HIS 224 N -2.59 0.12 0.00 1.61 2.46 -1.15 -4.51 115.29 111.23 1mhe s HIS 224 Ca 0.65 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.73 1mhe s HIS 224 Cb -0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.16 1mhe s HIS 224 CO 0.60 -0.48 0.00 2.41 -2.47 0.00 0.00 174.74 174.80 1mhe n THR 225 N 0.31 0.00 -0.89 0.89 -1.04 -1.26 -4.77 114.28 107.52 1mhe n THR 225 Ca -0.17 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.45 1mhe n THR 225 Cb 0.61 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.01 1mhe n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe n GLN 226 N -0.26 0.41 0.00 -2.82 6.02 -1.26 -0.78 117.38 118.69 1mhe n GLN 226 Ca 0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1mhe n GLN 226 Cb 0.00 -2.88 0.00 0.00 1.02 0.00 0.00 30.24 28.38 1mhe n GLN 226 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1mhe n ASP 227 N 10.75 0.00 -4.45 1.08 -0.08 -1.26 -4.81 116.55 117.78 1mhe n ASP 227 Ca 0.46 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.31 1mhe n ASP 227 Cb 0.43 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.85 1mhe n ASP 227 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1mhe s THR 228 N -2.00 4.51 -0.08 5.18 2.01 0.04 -3.60 115.64 121.70 1mhe s THR 228 Ca 0.00 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 1mhe s THR 228 Cb 0.00 -4.73 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 1mhe s THR 228 CO 0.00 -1.47 0.49 -0.70 -0.69 0.00 0.00 174.62 172.25 1mhe s GLU 229 N 3.42 4.28 -0.01 4.92 2.12 -0.76 -4.95 118.70 127.72 1mhe s GLU 229 Ca 0.27 0.51 0.04 0.00 0.36 0.00 0.00 54.97 56.14 1mhe s GLU 229 Cb -0.12 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1mhe s GLU 229 CO 0.01 0.27 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.69 1mhe s LEU 230 N 0.25 2.00 0.10 2.70 2.96 -1.26 -0.96 118.68 124.46 1mhe s LEU 230 Ca 0.27 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1mhe s LEU 230 Cb -0.16 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 1mhe s LEU 230 CO 0.12 0.15 0.05 0.68 -1.32 0.00 0.00 176.35 176.03 1mhe s VAL 231 N -0.25 4.28 0.27 1.68 -7.23 -1.14 -5.06 120.40 112.94 1mhe s VAL 231 Ca 0.04 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1mhe s VAL 231 Cb -0.06 -3.07 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 1mhe s VAL 231 CO -0.00 0.09 1.46 -1.61 -0.31 0.00 0.00 175.10 174.73 1mhe s GLU 232 N -2.44 4.24 0.06 4.82 2.02 -1.26 -4.60 118.70 121.53 1mhe s GLU 232 Ca 0.28 2.35 -0.37 0.00 0.02 0.00 0.00 54.97 57.26 1mhe s GLU 232 Cb -0.12 -3.09 -0.16 0.00 0.10 0.00 0.00 34.13 30.87 1mhe s GLU 232 CO 0.20 -0.44 1.41 2.41 0.02 0.00 0.00 175.26 178.86 1mhe n THR 233 N 2.09 0.04 -4.43 3.63 -1.04 -1.26 -4.95 114.28 108.35 1mhe n THR 233 Ca 0.06 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.84 1mhe n THR 233 Cb 0.40 -0.94 -0.10 0.00 -1.82 0.00 0.00 70.33 67.87 1mhe n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe s ARG 234 N 0.86 1.56 0.19 -2.82 1.70 -0.77 -4.99 118.95 114.69 1mhe s ARG 234 Ca 0.85 -1.72 -0.22 0.00 -0.47 0.00 0.00 55.73 54.18 1mhe s ARG 234 Cb -0.94 -1.52 -0.08 0.00 -0.57 0.00 0.00 34.95 31.84 1mhe s ARG 234 CO 0.48 0.26 0.73 -1.25 -1.08 0.00 0.00 175.30 174.44 1mhe s PRO 235 N -3.57 4.36 0.09 3.89 0.04 -1.26 -1.16 135.00 137.39 1mhe s PRO 235 Ca 0.28 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 1mhe s PRO 235 Cb -0.03 -3.05 -0.20 0.00 0.04 0.00 0.00 34.50 31.26 1mhe s PRO 235 CO 0.12 0.48 1.20 0.00 0.04 0.00 0.00 177.00 178.84 1mhe h ALA 236 N 3.84 0.17 0.00 8.56 0.00 -0.68 -3.46 119.26 127.69 1mhe h ALA 236 Ca -0.48 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1mhe h ALA 236 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1mhe h ALA 236 CO 0.65 0.75 0.00 0.41 0.00 0.00 0.00 179.25 181.07 1mhe n GLY 237 N 1.15 0.74 0.43 0.00 0.00 -1.25 -4.93 105.19 101.32 1mhe n GLY 237 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1mhe n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mhe n ASP 238 N 0.00 2.71 0.00 1.61 5.68 -1.26 -4.93 116.55 120.35 1mhe n ASP 238 Ca 0.00 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 1mhe n ASP 238 Cb 0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1mhe n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mhe n GLY 239 N -0.08 2.49 3.89 6.12 0.00 -1.26 -5.07 105.19 111.28 1mhe n GLY 239 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1mhe n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mhe s THR 240 N -2.48 2.51 0.51 2.61 -4.23 -1.26 -4.95 115.64 108.35 1mhe s THR 240 Ca 0.00 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1mhe s THR 240 Cb 0.00 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1mhe s THR 240 CO 0.00 0.00 0.02 0.49 -0.54 0.00 0.00 174.62 174.59 1mhe n PHE 241 N -1.61 1.08 -3.56 3.99 3.01 0.22 0.04 117.46 120.63 1mhe n PHE 241 Ca 0.04 -2.50 -0.12 0.00 1.01 0.00 0.00 57.45 55.88 1mhe n PHE 241 Cb 0.62 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1mhe n PHE 241 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1mhe s GLN 242 N -3.86 1.11 -0.05 -1.08 -2.07 -0.31 -1.61 119.66 111.80 1mhe s GLN 242 Ca 0.02 -0.49 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1mhe s GLN 242 Cb -0.00 0.50 0.10 0.00 -1.09 0.00 0.00 33.01 32.52 1mhe s GLN 242 CO 0.01 -0.44 0.84 0.21 -1.32 0.00 0.00 175.29 174.59 1mhe s LYS 243 N -3.34 0.86 0.01 9.60 2.20 -0.45 -1.84 119.74 126.78 1mhe s LYS 243 Ca -0.00 -0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 1mhe s LYS 243 Cb 0.00 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1mhe s LYS 243 CO -0.09 -0.32 0.19 1.67 -0.36 0.00 0.00 175.35 176.45 1mhe s TRP 244 N -2.08 -0.01 -0.05 4.03 1.48 -1.26 -1.49 118.94 119.57 1mhe s TRP 244 Ca -0.01 -0.08 0.02 0.00 -1.06 0.00 0.00 56.10 54.97 1mhe s TRP 244 Cb -0.01 -0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.30 1mhe s TRP 244 CO -0.02 -0.35 -0.11 0.00 -4.06 0.00 0.00 176.95 172.42 1mhe s ALA 245 N -1.71 1.08 0.35 2.67 0.00 -0.58 -2.91 121.76 120.66 1mhe s ALA 245 Ca -0.12 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.57 1mhe s ALA 245 Cb -0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1mhe s ALA 245 CO 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 175.76 175.83 1mhe s ALA 246 N 0.47 3.03 -0.25 0.00 0.00 -0.14 0.33 121.76 125.21 1mhe s ALA 246 Ca -0.09 -2.09 -0.25 0.00 0.00 0.00 0.00 51.96 49.53 1mhe s ALA 246 Cb -0.13 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1mhe s ALA 246 CO 0.02 0.06 0.70 0.54 0.00 0.00 0.00 175.76 177.07 1mhe s VAL 247 N -2.60 0.00 -0.08 0.00 0.11 0.20 -1.83 120.40 116.20 1mhe s VAL 247 Ca 0.33 -0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.20 1mhe s VAL 247 Cb 0.03 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1mhe s VAL 247 CO 0.17 -0.00 0.48 -0.69 -3.33 0.00 0.00 175.10 171.73 1mhe s VAL 248 N 0.25 5.13 0.02 2.04 1.01 -1.24 -1.04 120.40 126.58 1mhe s VAL 248 Ca -0.01 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1mhe s VAL 248 Cb -0.05 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1mhe s VAL 248 CO 0.02 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1mhe s VAL 249 N 0.25 0.29 0.14 2.92 1.01 -0.20 -4.94 120.40 119.88 1mhe s VAL 249 Ca 0.26 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1mhe s VAL 249 Cb -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 1mhe s VAL 249 CO 0.12 -0.34 1.49 -2.84 0.00 0.00 0.00 175.10 173.53 1mhe s PRO 250 N -1.22 4.26 0.10 2.72 0.02 -1.26 -1.15 135.00 138.47 1mhe s PRO 250 Ca -0.10 2.24 -0.34 0.00 0.02 0.00 0.00 61.00 62.82 1mhe s PRO 250 Cb -0.08 -3.20 -0.13 0.00 0.02 0.00 0.00 34.50 31.11 1mhe s PRO 250 CO -0.00 -0.54 1.68 0.45 -0.33 0.00 0.00 177.00 178.26 1mhe n SER 251 N 3.99 3.27 0.00 2.53 2.88 0.47 -0.62 113.62 126.13 1mhe n SER 251 Ca 0.13 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1mhe n SER 251 Cb 0.40 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1mhe n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mhe n GLY 252 N 3.73 2.84 1.52 0.46 0.00 -1.26 -4.92 105.19 107.57 1mhe n GLY 252 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1mhe n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mhe n GLU 253 N -0.93 3.51 0.11 1.61 1.02 0.20 -4.63 120.64 121.55 1mhe n GLU 253 Ca 0.00 -2.84 0.17 0.00 -0.02 0.00 0.00 57.16 54.47 1mhe n GLU 253 Cb 0.00 -1.82 0.72 0.00 -0.02 0.00 0.00 31.44 30.32 1mhe n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1mhe h GLU 254 N 4.10 0.00 0.00 3.49 3.07 -1.92 -0.41 114.58 122.92 1mhe h GLU 254 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1mhe h GLU 254 Cb 1.35 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1mhe h GLU 254 CO 0.18 0.00 -0.09 1.96 -1.40 0.00 0.00 179.01 179.66 1mhe h GLN 255 N 0.00 0.00 0.00 2.33 7.50 -1.91 -2.23 115.11 120.80 1mhe h GLN 255 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1mhe h GLN 255 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 1mhe h GLN 255 CO -0.00 0.09 0.00 0.54 -1.50 0.00 0.00 178.83 177.96 1mhe n ARG 256 N -3.19 0.09 -4.68 1.46 1.74 -0.16 -4.77 116.66 107.15 1mhe n ARG 256 Ca 0.01 0.24 -0.33 0.00 -0.77 0.00 0.00 57.85 56.99 1mhe n ARG 256 Cb 0.40 -1.64 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 1mhe n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1mhe s TYR 257 N -3.10 2.88 0.01 -1.55 1.51 -0.84 -1.42 117.35 114.84 1mhe s TYR 257 Ca 0.08 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1mhe s TYR 257 Cb 0.12 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1mhe s TYR 257 CO 0.40 0.17 -0.03 0.95 -1.11 0.00 0.00 175.55 175.94 1mhe s THR 258 N -0.47 0.16 -0.19 -0.71 -4.23 -1.01 -4.50 115.64 104.70 1mhe s THR 258 Ca 0.07 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1mhe s THR 258 Cb -0.12 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1mhe s THR 258 CO 0.02 -0.13 0.09 0.00 -0.54 0.00 0.00 174.62 174.06 1mhe s HIS 260 N 0.46 3.07 -0.10 0.00 3.76 0.11 -0.43 115.29 122.16 1mhe s HIS 260 Ca 0.05 -0.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1mhe s HIS 260 Cb -0.12 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.75 1mhe s HIS 260 CO 0.00 0.27 -0.12 0.08 -0.85 0.00 0.00 174.74 174.12 1mhe s VAL 261 N -0.42 1.26 -0.09 -0.90 1.01 0.08 -1.20 120.40 120.15 1mhe s VAL 261 Ca 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1mhe s VAL 261 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1mhe s VAL 261 CO 0.02 0.40 -0.22 -1.10 0.00 0.00 0.00 175.10 174.20 1mhe s GLN 262 N 1.12 2.88 -0.26 2.72 -0.21 -0.59 -1.75 119.66 123.57 1mhe s GLN 262 Ca -0.05 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.26 1mhe s GLN 262 Cb -0.14 -2.32 0.07 0.00 1.00 0.00 0.00 33.01 31.62 1mhe s GLN 262 CO -0.02 0.30 0.69 -1.58 -2.12 0.00 0.00 175.29 172.55 1mhe s HIS 263 N 0.07 -0.81 0.62 0.91 2.46 -1.26 -2.15 115.29 115.13 1mhe s HIS 263 Ca -0.09 1.90 0.30 0.00 0.47 0.00 0.00 55.06 57.64 1mhe s HIS 263 Cb -0.15 0.32 1.64 0.00 -0.13 0.00 0.00 32.58 34.25 1mhe s HIS 263 CO 0.06 -0.39 1.98 1.49 -2.47 0.00 0.00 174.74 175.41 1mhe h GLU 264 N 5.38 0.00 -0.00 2.88 4.81 -1.95 0.16 114.58 125.87 1mhe h GLU 264 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1mhe h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1mhe h GLU 264 CO 0.08 0.00 -0.03 0.41 -0.73 0.00 0.00 179.01 178.75 1mhe n GLY 265 N -1.35 -1.01 3.74 1.92 0.00 -1.26 -4.76 105.19 102.46 1mhe n GLY 265 Ca 0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1mhe n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mhe s LEU 266 N -2.30 4.10 0.34 0.99 1.43 0.57 -4.37 118.68 119.45 1mhe s LEU 266 Ca 0.37 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 1mhe s LEU 266 Cb 0.21 -2.03 0.68 0.00 0.03 0.00 0.00 46.19 45.08 1mhe s LEU 266 CO 0.42 0.25 1.94 1.55 0.23 0.00 0.00 176.35 180.75 1mhe h PRO 267 N 6.11 0.81 -3.22 1.29 0.13 -1.85 -3.44 132.00 131.83 1mhe h PRO 267 Ca -0.44 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1mhe h PRO 267 Cb 1.18 -0.18 -0.13 0.00 0.13 0.00 0.00 31.00 31.99 1mhe h PRO 267 CO 0.68 0.54 -0.01 -1.83 -0.23 0.00 0.00 178.00 177.14 1mhe s GLU 268 N -5.74 1.09 1.04 0.86 -1.05 -1.26 -5.16 118.70 108.47 1mhe s GLU 268 Ca -0.10 -0.58 -0.19 0.00 -0.15 0.00 0.00 54.97 53.95 1mhe s GLU 268 Cb 0.19 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.36 1mhe s GLU 268 CO 0.78 -0.43 -0.33 -0.35 0.95 0.00 0.00 175.26 175.88 1mhe n PRO 269 N -0.11 -0.74 -4.35 -4.83 -0.04 -1.26 -4.97 135.00 118.69 1mhe n PRO 269 Ca -0.17 -0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 62.89 1mhe n PRO 269 Cb 0.63 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1mhe n PRO 269 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mhe s VAL 270 N -2.19 0.74 -0.18 0.52 1.01 -0.71 -4.97 120.40 114.61 1mhe s VAL 270 Ca 0.50 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1mhe s VAL 270 Cb -0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1mhe s VAL 270 CO 0.69 0.24 -0.04 -0.89 0.00 0.00 0.00 175.10 175.10 1mhe s THR 271 N 0.35 3.66 0.03 3.92 2.01 -1.26 -0.74 115.64 123.61 1mhe s THR 271 Ca -0.05 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1mhe s THR 271 Cb -0.10 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1mhe s THR 271 CO 0.01 0.46 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.42 1mhe s LEU 272 N 0.86 2.42 0.02 4.42 2.01 0.43 -4.95 118.68 123.89 1mhe s LEU 272 Ca -0.01 -0.48 -0.04 0.00 0.01 0.00 0.00 54.13 53.62 1mhe s LEU 272 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 46.19 44.62 1mhe s LEU 272 CO 0.01 0.27 0.06 0.00 1.01 0.00 0.00 176.35 177.70 1mhe s ARG 273 N -1.28 0.45 0.00 1.70 1.70 -1.26 0.26 118.95 120.52 1mhe s ARG 273 Ca 0.13 -0.61 0.19 0.00 -0.47 0.00 0.00 55.73 54.97 1mhe s ARG 273 Cb -0.10 0.17 1.13 0.00 -0.57 0.00 0.00 34.95 35.58 1mhe s ARG 273 CO 0.03 -0.10 1.53 1.87 -1.08 0.00 0.00 175.30 177.55