#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smr n ASP -1 N 0.00 -1.52 -4.79 3.42 9.92 -0.54 -4.89 116.55 118.15 1smr n ASP -1 Ca 0.00 -1.05 -0.39 0.00 -0.53 0.00 0.00 54.79 52.82 1smr n ASP -1 Cb 0.00 -1.27 -0.06 0.00 -0.64 0.00 0.00 41.12 39.15 1smr n ASP -1 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1smr s LEU 0 N -6.81 4.56 -0.31 0.64 2.96 -0.53 -4.50 118.68 114.68 1smr s LEU 0 Ca 0.23 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.58 1smr s LEU 0 Cb -0.13 -3.10 0.10 0.00 0.50 0.00 0.00 46.19 43.57 1smr s LEU 0 CO 0.79 0.24 0.11 -0.63 -1.32 0.00 0.00 176.35 175.53 1smr s ILE 1 N -1.09 0.82 -0.31 6.68 1.01 -1.26 0.45 121.20 127.51 1smr s ILE 1 Ca 0.32 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 1smr s ILE 1 Cb -0.21 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.64 1smr s ILE 1 CO 0.23 -0.69 0.09 -0.55 0.00 0.00 0.00 174.94 174.01 1smr s SER 2 N 1.60 5.18 0.12 3.58 0.15 -0.75 -4.95 113.70 118.63 1smr s SER 2 Ca 0.10 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 55.92 1smr s SER 2 Cb -0.17 -1.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 1smr s SER 2 CO -0.25 -0.22 0.33 -2.16 1.20 0.00 0.00 173.24 172.13 1smr s PRO 3 N 1.48 3.55 -0.26 5.44 0.04 -1.26 -0.31 135.00 143.69 1smr s PRO 3 Ca 0.02 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 1smr s PRO 3 Cb -0.18 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.49 1smr s PRO 3 CO 0.03 0.51 -0.06 0.08 0.04 0.00 0.00 177.00 177.59 1smr s VAL 4 N -1.63 2.78 0.23 -0.36 1.01 0.98 -4.85 120.40 118.55 1smr s VAL 4 Ca 0.39 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1smr s VAL 4 Cb -0.12 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 1smr s VAL 4 CO 0.26 0.13 1.12 -0.69 0.00 0.00 0.00 175.10 175.92 1smr s VAL 5 N 1.28 3.63 0.20 2.92 1.01 -1.26 -0.61 120.40 127.57 1smr s VAL 5 Ca -0.02 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1smr s VAL 5 Cb -0.17 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1smr s VAL 5 CO -0.04 0.30 0.25 -0.76 0.00 0.00 0.00 175.10 174.85 1smr s LEU 6 N -0.85 4.08 -0.16 3.92 1.43 -0.40 -4.49 118.68 122.21 1smr s LEU 6 Ca 0.48 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1smr s LEU 6 Cb -0.31 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1smr s LEU 6 CO 0.38 0.00 -0.05 -0.89 0.23 0.00 0.00 176.35 176.03 1smr s THR 7 N -1.90 3.75 -0.46 5.49 2.01 -0.47 -2.44 115.64 121.62 1smr s THR 7 Ca 0.33 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1smr s THR 7 Cb -0.10 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.81 1smr s THR 7 CO 0.27 0.49 0.68 0.21 -0.69 0.00 0.00 174.62 175.57 1smr s ASN 8 N 0.45 6.31 -0.32 3.53 3.84 -1.26 -1.80 114.94 125.70 1smr s ASN 8 Ca -0.04 -0.44 -0.07 0.00 0.21 0.00 0.00 52.86 52.52 1smr s ASN 8 Cb -0.14 -2.33 0.02 0.00 -0.55 0.00 0.00 41.25 38.24 1smr s ASN 8 CO 0.03 -0.85 0.11 -0.47 -2.79 0.00 0.00 177.10 173.13 1smr s TYR 9 N 2.92 3.19 -1.03 0.43 5.04 0.14 -4.66 117.35 123.38 1smr s TYR 9 Ca 0.22 -1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 53.80 1smr s TYR 9 Cb -0.15 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.88 1smr s TYR 9 CO 0.18 -0.61 0.06 1.28 -1.34 0.00 0.00 175.55 175.12 1smr n LEU 10 N 4.88 -1.15 -1.26 6.97 4.77 -1.26 -0.63 117.00 129.32 1smr n LEU 10 Ca -0.14 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 1smr n LEU 10 Cb 0.47 -2.10 -0.07 0.00 -2.33 0.00 0.00 43.42 39.39 1smr n LEU 10 CO 0.32 -0.09 -0.16 0.59 -1.33 0.00 0.00 177.39 176.73 1smr n ASN 11 N -1.85 -5.14 0.00 -1.43 3.02 -1.26 -4.80 115.26 103.81 1smr n ASN 11 Ca -0.13 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1smr n ASN 11 Cb 0.60 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 1smr n ASN 11 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1smr n SER 12 N -0.83 2.56 -3.80 6.41 3.41 0.20 -4.89 113.62 116.67 1smr n SER 12 Ca -0.16 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.22 1smr n SER 12 Cb 0.57 0.51 -0.17 0.00 -0.26 0.00 0.00 64.21 64.85 1smr n SER 12 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1smr s GLN 13 N -1.02 0.73 -0.22 4.33 -0.21 -0.34 -4.47 119.66 118.45 1smr s GLN 13 Ca 0.00 0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.44 1smr s GLN 13 Cb 0.00 -1.00 0.04 0.00 1.00 0.00 0.00 33.01 33.05 1smr s GLN 13 CO 0.00 -0.26 -0.16 0.71 -2.12 0.00 0.00 175.29 173.46 1smr s TYR 14 N 1.75 2.99 0.06 0.91 1.51 -1.26 0.29 117.35 123.60 1smr s TYR 14 Ca 0.02 -1.95 -0.01 0.00 -1.01 0.00 0.00 57.07 54.11 1smr s TYR 14 Cb -0.13 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1smr s TYR 14 CO -0.05 -0.84 -0.01 1.52 -1.11 0.00 0.00 175.55 175.06 1smr s TYR 15 N 1.21 0.51 0.35 2.71 -0.85 -0.74 -4.40 117.35 116.13 1smr s TYR 15 Ca -0.01 -1.04 0.05 0.00 -0.52 0.00 0.00 57.07 55.54 1smr s TYR 15 Cb -0.16 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.78 1smr s TYR 15 CO -0.09 -0.40 0.20 0.20 -1.52 0.00 0.00 175.55 173.94 1smr s GLY 16 N -2.92 2.36 0.11 5.49 0.00 -0.63 -1.37 107.32 110.36 1smr s GLY 16 Ca 0.07 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.12 1smr s GLY 16 CO -0.10 -1.62 0.23 -0.54 0.00 0.00 0.00 173.10 171.07 1smr s GLU 17 N -3.63 3.34 0.09 2.90 2.02 -1.26 -1.23 118.70 120.93 1smr s GLU 17 Ca 0.34 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1smr s GLU 17 Cb 0.03 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1smr s GLU 17 CO 0.21 0.55 -0.07 0.96 0.02 0.00 0.00 175.26 176.93 1smr s ILE 18 N -1.63 0.72 0.02 -1.63 -4.36 -0.60 -4.80 121.20 108.92 1smr s ILE 18 Ca 0.34 -1.80 0.09 0.00 -0.26 0.00 0.00 60.65 59.02 1smr s ILE 18 Cb -0.12 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 1smr s ILE 18 CO 0.27 -0.77 -0.26 -0.83 0.24 0.00 0.00 174.94 173.60 1smr s GLY 19 N -2.79 1.36 -0.09 6.27 0.00 -0.59 -1.81 107.32 109.68 1smr s GLY 19 Ca 0.08 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1smr s GLY 19 CO -0.03 -1.06 -0.12 -0.42 0.00 0.00 0.00 173.10 171.47 1smr s ILE 20 N -0.73 1.19 0.00 0.90 1.01 0.02 -0.87 121.20 122.72 1smr s ILE 20 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1smr s ILE 20 Cb -0.10 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1smr s ILE 20 CO 0.01 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1smr n GLY 21 N 4.22 -2.46 3.01 6.18 0.00 -0.62 0.34 105.19 115.86 1smr n GLY 21 Ca -0.19 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 1smr n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1smr s THR 22 N -0.39 1.77 1.00 2.61 2.01 -1.26 -2.33 115.64 119.05 1smr s THR 22 Ca 0.00 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 1smr s THR 22 Cb 0.00 -1.88 0.19 0.00 0.01 0.00 0.00 72.50 70.82 1smr s THR 22 CO 0.00 0.08 1.15 -2.16 -0.69 0.00 0.00 174.62 173.00 1smr s PRO 23 N 1.32 0.43 0.28 4.92 0.04 -1.26 -1.81 135.00 138.91 1smr s PRO 23 Ca -0.04 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 60.83 1smr s PRO 23 Cb -0.18 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1smr s PRO 23 CO -0.07 -2.64 1.07 -1.25 0.04 0.00 0.00 177.00 174.15 1smr s PRO 24 N -5.36 4.67 -0.18 0.56 0.04 -0.98 -4.89 135.00 128.85 1smr s PRO 24 Ca 0.67 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 1smr s PRO 24 Cb -0.12 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1smr s PRO 24 CO 0.54 0.25 0.24 -0.65 0.04 0.00 0.00 177.00 177.43 1smr s GLN 25 N -1.43 4.24 -0.07 4.56 -0.21 0.15 -4.84 119.66 122.06 1smr s GLN 25 Ca 0.44 -0.01 -0.11 0.00 0.02 0.00 0.00 55.36 55.71 1smr s GLN 25 Cb -0.31 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1smr s GLN 25 CO 0.39 0.25 0.26 0.99 -2.12 0.00 0.00 175.29 175.06 1smr s THR 26 N 0.46 5.29 0.05 -0.19 2.01 -1.26 -0.80 115.64 121.21 1smr s THR 26 Ca 0.14 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1smr s THR 26 Cb -0.12 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1smr s THR 26 CO 0.02 0.60 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.08 1smr s PHE 27 N -1.01 0.96 -0.14 4.92 0.08 -0.75 -4.96 117.98 117.08 1smr s PHE 27 Ca 0.19 -0.44 -0.19 0.00 0.12 0.00 0.00 56.93 56.61 1smr s PHE 27 Cb -0.14 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1smr s PHE 27 CO 0.08 -0.01 0.52 0.15 -0.10 0.00 0.00 175.22 175.87 1smr s LYS 28 N -1.51 4.30 0.04 0.44 1.02 -1.26 -1.56 119.74 121.22 1smr s LYS 28 Ca -0.04 0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.48 1smr s LYS 28 Cb -0.09 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1smr s LYS 28 CO 0.01 0.04 -0.13 0.14 -0.92 0.00 0.00 175.35 174.49 1smr s VAL 29 N 0.99 1.01 -0.01 3.17 -7.23 -0.37 -0.79 120.40 117.18 1smr s VAL 29 Ca 0.27 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 1smr s VAL 29 Cb -0.15 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1smr s VAL 29 CO 0.11 -0.08 1.08 -0.63 -0.31 0.00 0.00 175.10 175.27 1smr s ILE 30 N -0.96 4.54 -0.49 -0.62 -1.09 -0.95 -1.60 121.20 120.04 1smr s ILE 30 Ca -0.00 1.82 -0.23 0.00 -2.23 0.00 0.00 60.65 60.01 1smr s ILE 30 Cb -0.08 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.66 1smr s ILE 30 CO 0.01 0.09 0.83 -0.36 -1.23 0.00 0.00 174.94 174.28 1smr s PHE 31 N 1.42 2.93 -0.53 3.97 0.40 -1.26 -1.78 117.98 123.13 1smr s PHE 31 Ca 0.54 0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.75 1smr s PHE 31 Cb -0.23 -3.80 0.10 0.00 0.51 0.00 0.00 43.02 39.60 1smr s PHE 31 CO 0.25 -1.12 0.53 0.34 0.70 0.00 0.00 175.22 175.92 1smr s ASP 32 N 2.42 6.18 0.00 1.36 2.15 -0.56 -4.07 116.67 124.15 1smr s ASP 32 Ca 0.29 -1.52 0.31 0.00 0.43 0.00 0.00 52.55 52.06 1smr s ASP 32 Cb -0.13 -2.23 1.78 0.00 -0.30 0.00 0.00 42.92 42.05 1smr s ASP 32 CO 0.21 -0.86 2.16 0.35 -0.17 0.00 0.00 175.17 176.86 1smr n THR 33 N 5.33 0.00 1.61 1.71 -2.24 -1.26 0.66 114.28 120.09 1smr n THR 33 Ca -0.12 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1smr n THR 33 Cb 0.42 -0.40 0.57 0.00 -2.10 0.00 0.00 70.33 68.81 1smr n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smr n GLY 34 N 1.05 -0.29 3.57 3.38 0.00 -1.26 -4.22 105.19 107.41 1smr n GLY 34 Ca 0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1smr n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smr s SER 35 N -1.79 0.68 0.00 1.61 1.04 -1.18 -4.98 113.70 109.08 1smr s SER 35 Ca 0.36 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1smr s SER 35 Cb 0.19 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1smr s SER 35 CO 0.30 -1.38 0.67 0.00 0.98 0.00 0.00 173.24 173.80 1smr n ALA 36 N -0.55 1.36 -2.64 5.32 0.00 -1.26 0.07 120.51 122.81 1smr n ALA 36 Ca -0.01 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 1smr n ALA 36 Cb 0.61 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1smr n ALA 36 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1smr s ASN 37 N -0.35 4.61 -0.16 0.00 -0.87 -1.26 -4.42 114.94 112.49 1smr s ASN 37 Ca 0.00 -0.48 -0.07 0.00 -1.57 0.00 0.00 52.86 50.75 1smr s ASN 37 Cb 0.00 -0.92 -0.04 0.00 -0.02 0.00 0.00 41.25 40.27 1smr s ASN 37 CO 0.00 0.08 0.07 -0.22 -2.57 0.00 0.00 177.10 174.46 1smr s LEU 38 N -3.02 3.89 0.06 0.60 2.96 -1.26 -0.22 118.68 121.68 1smr s LEU 38 Ca 0.27 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1smr s LEU 38 Cb -0.09 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1smr s LEU 38 CO 0.18 0.23 0.14 -1.66 -1.32 0.00 0.00 176.35 173.92 1smr s TRP 39 N 0.01 0.18 0.08 5.38 1.48 -0.33 -1.39 118.94 124.34 1smr s TRP 39 Ca 0.06 -0.53 0.01 0.00 -1.06 0.00 0.00 56.10 54.58 1smr s TRP 39 Cb -0.12 -0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 1smr s TRP 39 CO 0.01 -0.45 -0.05 0.14 -4.06 0.00 0.00 176.95 172.54 1smr s VAL 40 N -3.17 0.50 0.56 -0.66 -7.23 -0.59 -2.53 120.40 107.29 1smr s VAL 40 Ca -0.00 -1.83 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1smr s VAL 40 Cb 0.02 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1smr s VAL 40 CO -0.07 -0.89 1.07 -2.84 -0.31 0.00 0.00 175.10 172.06 1smr s PRO 41 N -3.71 3.39 0.22 4.82 0.02 -1.26 -1.53 135.00 136.95 1smr s PRO 41 Ca 0.08 1.36 0.09 0.00 0.02 0.00 0.00 61.00 62.55 1smr s PRO 41 Cb 0.05 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1smr s PRO 41 CO -0.06 -0.77 -0.02 0.45 -0.33 0.00 0.00 177.00 176.26 1smr s SER 42 N -2.31 4.55 0.50 2.53 0.15 -0.38 -1.21 113.70 117.53 1smr s SER 42 Ca 0.67 -0.55 0.18 0.00 0.70 0.00 0.00 55.95 56.95 1smr s SER 42 Cb -0.18 -0.87 1.25 0.00 -1.71 0.00 0.00 66.02 64.51 1smr s SER 42 CO 0.31 0.05 2.10 0.00 1.20 0.00 0.00 173.24 176.89 1smr h THR 43 N 2.26 0.95 0.00 6.45 1.03 -1.76 -0.94 112.91 120.90 1smr h THR 43 Ca -0.46 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 1smr h THR 43 Cb 1.23 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 1smr h THR 43 CO 0.58 0.08 0.00 0.29 -0.01 0.00 0.00 175.52 176.46 1smr n LYS 44 N -4.29 0.12 -1.67 0.00 4.01 -1.26 -4.84 118.16 110.23 1smr n LYS 44 Ca -0.03 0.09 -0.46 0.00 -0.51 0.00 0.00 58.31 57.40 1smr n LYS 44 Cb 0.16 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.14 1smr n LYS 44 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1smr s SER 46 N 1.67 6.33 0.34 0.00 1.04 -1.23 -4.93 113.70 116.91 1smr s SER 46 Ca 0.82 1.45 0.21 0.00 0.48 0.00 0.00 55.95 58.92 1smr s SER 46 Cb -0.68 -2.48 1.17 0.00 0.10 0.00 0.00 66.02 64.13 1smr s SER 46 CO 0.41 -0.79 1.64 0.03 0.98 0.00 0.00 173.24 175.51 1smr h ARG 47 N 0.00 0.00 0.00 4.02 3.08 -1.94 -0.68 114.38 118.86 1smr h ARG 47 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1smr h ARG 47 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1smr h ARG 47 CO 0.62 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.80 1smr n LEU 47 N -2.27 0.71 -4.18 3.04 4.77 -1.26 -4.28 117.00 113.53 1smr n LEU 47 Ca -0.01 0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 1smr n LEU 47 Cb 0.08 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1smr n LEU 47 CO 0.10 -0.40 0.22 -0.31 -1.33 0.00 0.00 177.39 175.67 1smr s TYR 47 N -3.22 3.58 0.29 -1.77 2.02 -0.26 -4.92 117.35 113.07 1smr s TYR 47 Ca 0.07 -2.50 0.03 0.00 -0.37 0.00 0.00 57.07 54.30 1smr s TYR 47 Cb 0.11 -3.43 0.72 0.00 -0.40 0.00 0.00 41.96 38.95 1smr s TYR 47 CO 0.48 -0.88 1.66 1.25 -1.57 0.00 0.00 175.55 176.48 1smr h LEU 48 N 7.18 0.11 -2.00 -1.29 6.46 -1.83 -1.48 115.31 122.46 1smr h LEU 48 Ca 0.05 0.18 0.20 0.00 -0.12 0.00 0.00 57.88 58.19 1smr h LEU 48 Cb 0.97 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 1smr h LEU 48 CO 0.74 -0.11 0.51 0.00 -0.62 0.00 0.00 178.44 178.97 1smr h ALA 49 N 1.75 2.65 0.00 1.25 0.00 -1.89 0.26 119.26 123.28 1smr h ALA 49 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1smr h ALA 49 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1smr h ALA 49 CO -0.61 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 177.77 1smr n GLY 51 N 0.09 0.74 0.05 0.00 0.00 0.92 -3.61 105.19 103.37 1smr n GLY 51 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.57 1smr n GLY 51 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1smr n ILE 52 N 0.67 0.00 -4.53 -0.61 5.41 -1.11 -5.05 119.36 114.14 1smr n ILE 52 Ca 0.17 -0.44 -0.25 0.00 1.00 0.00 0.00 62.75 63.23 1smr n ILE 52 Cb 0.40 1.03 -0.11 0.00 -0.71 0.00 0.00 39.64 40.25 1smr n ILE 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1smr s HIS 53 N -1.01 2.25 0.29 1.39 3.76 -1.24 -5.07 115.29 115.66 1smr s HIS 53 Ca 0.03 -0.80 -0.28 0.00 -0.15 0.00 0.00 55.06 53.86 1smr s HIS 53 Cb 0.03 -1.52 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 1smr s HIS 53 CO 0.12 0.24 0.95 -1.12 -0.85 0.00 0.00 174.74 174.08 1smr s SER 54 N -3.60 7.43 -0.09 1.40 0.01 -1.26 -4.99 113.70 112.61 1smr s SER 54 Ca 0.35 1.91 0.03 0.00 1.31 0.00 0.00 55.95 59.55 1smr s SER 54 Cb 0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1smr s SER 54 CO 0.17 -0.00 -0.19 -0.76 0.41 0.00 0.00 173.24 172.86 1smr s LEU 55 N -1.72 1.92 0.09 2.44 1.43 -1.26 -4.47 118.68 117.11 1smr s LEU 55 Ca 0.47 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 1smr s LEU 55 Cb -0.22 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 1smr s LEU 55 CO 0.28 0.11 1.23 -0.47 0.23 0.00 0.00 176.35 177.72 1smr s TYR 56 N 0.46 3.41 -0.39 0.29 5.04 -0.35 -4.70 117.35 121.12 1smr s TYR 56 Ca -0.17 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1smr s TYR 56 Cb -0.17 -3.46 0.11 0.00 0.35 0.00 0.00 41.96 38.79 1smr s TYR 56 CO 0.07 -1.42 0.14 -2.00 -1.34 0.00 0.00 175.55 171.00 1smr s GLU 57 N 0.85 1.76 0.55 4.97 2.56 -1.26 -2.49 118.70 125.64 1smr s GLU 57 Ca 0.59 -1.94 0.36 0.00 0.00 0.00 0.00 54.97 53.99 1smr s GLU 57 Cb -0.31 -3.39 1.86 0.00 2.00 0.00 0.00 34.13 34.29 1smr s GLU 57 CO 0.30 -1.01 2.11 0.66 -0.56 0.00 0.00 175.26 176.76 1smr h SER 58 N 7.68 0.00 0.53 -1.70 4.64 -1.95 -2.40 113.55 120.35 1smr h SER 58 Ca -0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1smr h SER 58 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1smr h SER 58 CO 0.61 0.00 -0.16 0.28 -0.87 0.00 0.00 176.83 176.69 1smr h SER 59 N 0.00 0.00 -0.20 4.97 0.02 -2.01 -2.95 113.55 113.38 1smr h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1smr h SER 59 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1smr h SER 59 CO 0.00 0.16 0.00 0.47 -1.14 0.00 0.00 176.83 176.32 1smr n ASP 60 N -3.57 3.23 -4.24 3.07 8.00 -0.90 -4.89 116.55 117.25 1smr n ASP 60 Ca -0.01 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.15 1smr n ASP 60 Cb 0.30 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 1smr n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1smr s SER 61 N -1.75 3.90 0.28 -2.24 0.15 -1.12 -4.33 113.70 108.59 1smr s SER 61 Ca 0.33 -0.51 0.25 0.00 0.70 0.00 0.00 55.95 56.72 1smr s SER 61 Cb 0.21 -1.64 0.92 0.00 -1.71 0.00 0.00 66.02 63.80 1smr s SER 61 CO 0.31 -0.02 1.76 0.77 1.20 0.00 0.00 173.24 177.25 1smr h SER 62 N 8.05 0.00 0.02 5.45 4.64 -1.66 -3.01 113.55 127.04 1smr h SER 62 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1smr h SER 62 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1smr h SER 62 CO 0.61 0.00 -0.30 -1.54 -0.87 0.00 0.00 176.83 174.73 1smr n SER 63 N -2.38 2.07 -4.73 4.97 3.41 -1.26 -4.95 113.62 110.75 1smr n SER 63 Ca 0.03 -1.53 -0.42 0.00 -0.26 0.00 0.00 58.87 56.69 1smr n SER 63 Cb 0.33 0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1smr n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smr n TYR 64 N 0.21 2.62 -4.33 7.33 9.36 -1.14 -4.60 117.16 126.61 1smr n TYR 64 Ca 0.11 0.39 -0.28 0.00 3.32 0.00 0.00 57.90 61.45 1smr n TYR 64 Cb 0.47 -2.52 -0.17 0.00 -0.63 0.00 0.00 39.34 36.50 1smr n TYR 64 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1smr s MET 65 N -1.07 2.03 0.55 2.98 -1.94 0.15 -5.01 119.30 116.99 1smr s MET 65 Ca 0.61 -0.49 -0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1smr s MET 65 Cb -0.54 -1.79 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1smr s MET 65 CO 0.55 -0.11 1.20 -2.00 -0.01 0.00 0.00 175.02 174.65 1smr s GLU 66 N 1.13 3.22 0.20 2.03 2.12 -1.26 -1.06 118.70 125.08 1smr s GLU 66 Ca -0.04 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.11 1smr s GLU 66 Cb -0.14 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.17 1smr s GLU 66 CO -0.03 -1.00 0.00 -1.71 -0.54 0.00 0.00 175.26 171.98 1smr n ASN 67 N -1.24 -0.03 0.00 -1.70 2.85 -1.24 -4.76 115.26 109.13 1smr n ASN 67 Ca 0.12 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 1smr n ASN 67 Cb 0.49 0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.75 1smr n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1smr n GLY 68 N 1.72 2.35 3.71 8.20 0.00 0.13 -4.97 105.19 116.33 1smr n GLY 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1smr n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smr s ASP 69 N -3.57 3.66 0.40 1.61 1.01 -1.26 -4.54 116.67 113.97 1smr s ASP 69 Ca 0.00 2.15 -0.26 0.00 0.71 0.00 0.00 52.55 55.15 1smr s ASP 69 Cb 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1smr s ASP 69 CO 0.00 -2.61 1.33 -0.67 0.21 0.00 0.00 175.17 173.43 1smr n ASP 70 N -3.63 2.90 -3.86 0.27 2.03 -1.26 -0.12 116.55 112.89 1smr n ASP 70 Ca 0.12 1.15 -0.30 0.00 0.52 0.00 0.00 54.79 56.28 1smr n ASP 70 Cb 0.52 -1.53 -0.16 0.00 -0.72 0.00 0.00 41.12 39.23 1smr n ASP 70 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1smr s PHE 71 N -1.16 2.09 -0.15 -0.67 5.36 -0.65 -4.59 117.98 118.20 1smr s PHE 71 Ca 0.59 -1.69 0.01 0.00 -0.96 0.00 0.00 56.93 54.87 1smr s PHE 71 Cb -0.51 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1smr s PHE 71 CO 0.60 -0.78 -0.16 0.99 -1.46 0.00 0.00 175.22 174.40 1smr s THR 72 N 1.49 1.68 0.02 0.12 2.01 -1.26 -0.82 115.64 118.88 1smr s THR 72 Ca 0.01 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1smr s THR 72 Cb -0.18 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1smr s THR 72 CO -0.11 0.48 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.71 1smr s ILE 73 N 1.38 0.51 -0.07 1.82 2.07 -0.30 -4.96 121.20 121.65 1smr s ILE 73 Ca 0.03 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 58.70 1smr s ILE 73 Cb -0.13 -0.50 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 1smr s ILE 73 CO -0.10 -0.09 -0.22 -1.00 -1.91 0.00 0.00 174.94 171.61 1smr s HIS 74 N -0.69 2.52 0.30 3.50 3.76 -1.26 -1.98 115.29 121.45 1smr s HIS 74 Ca -0.03 -0.65 0.11 0.00 -0.15 0.00 0.00 55.06 54.34 1smr s HIS 74 Cb -0.06 -1.63 -0.06 0.00 1.11 0.00 0.00 32.58 31.94 1smr s HIS 74 CO 0.00 -0.17 -0.15 0.71 -0.85 0.00 0.00 174.74 174.28 1smr s TYR 75 N -0.17 2.31 0.35 1.40 2.02 -0.84 -5.00 117.35 117.43 1smr s TYR 75 Ca -0.03 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.36 1smr s TYR 75 Cb -0.14 -1.15 0.89 0.00 -0.40 0.00 0.00 41.96 41.16 1smr s TYR 75 CO 0.04 0.64 1.81 0.78 -1.57 0.00 0.00 175.55 177.24 1smr h GLY 76 N 2.17 1.39 1.92 0.71 0.00 -2.00 0.35 103.07 107.62 1smr h GLY 76 Ca -0.41 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1smr h GLY 76 CO 0.65 -0.04 -0.04 1.44 0.00 0.00 0.00 176.54 178.55 1smr n SER 77 N -4.65 0.14 0.00 0.19 7.64 -1.26 -5.01 113.62 110.67 1smr n SER 77 Ca 0.22 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1smr n SER 77 Cb 0.64 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1smr n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smr n GLY 78 N 1.48 2.56 3.71 0.23 0.00 0.12 -4.62 105.19 108.67 1smr n GLY 78 Ca 0.07 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1smr n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1smr s ARG 79 N -1.90 3.30 0.03 1.61 3.52 -1.26 -1.98 118.95 122.26 1smr s ARG 79 Ca 0.00 -0.34 0.08 0.00 -0.13 0.00 0.00 55.73 55.35 1smr s ARG 79 Cb 0.00 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1smr s ARG 79 CO 0.00 0.62 -0.25 0.08 -0.81 0.00 0.00 175.30 174.94 1smr s VAL 80 N -0.64 2.00 0.03 7.11 1.01 -0.84 -4.60 120.40 124.48 1smr s VAL 80 Ca 0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1smr s VAL 80 Cb -0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1smr s VAL 80 CO 0.02 0.39 0.03 -0.75 0.00 0.00 0.00 175.10 174.79 1smr s LYS 81 N -1.04 0.49 0.00 2.72 2.20 -0.90 -1.15 119.74 122.06 1smr s LYS 81 Ca 0.10 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1smr s LYS 81 Cb -0.10 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1smr s LYS 81 CO 0.01 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1smr n GLY 82 N 0.96 1.11 3.22 5.54 0.00 -0.00 -1.38 105.19 114.65 1smr n GLY 82 Ca -0.20 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1smr n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1smr s PHE 83 N 1.16 -0.00 0.23 1.61 -0.12 -0.84 -1.64 117.98 118.38 1smr s PHE 83 Ca 0.00 -0.24 -0.20 0.00 -0.05 0.00 0.00 56.93 56.44 1smr s PHE 83 Cb 0.00 0.03 -0.08 0.00 -0.63 0.00 0.00 43.02 42.34 1smr s PHE 83 CO 0.00 -0.50 0.74 -0.51 -0.05 0.00 0.00 175.22 174.90 1smr s LEU 84 N -2.30 4.34 0.12 -1.99 1.43 0.83 -1.73 118.68 119.39 1smr s LEU 84 Ca -0.02 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1smr s LEU 84 Cb 0.01 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1smr s LEU 84 CO -0.06 0.02 -0.06 -0.44 0.23 0.00 0.00 176.35 176.05 1smr s SER 85 N -1.65 1.31 0.02 2.29 0.01 -0.88 0.22 113.70 115.01 1smr s SER 85 Ca 0.44 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.70 1smr s SER 85 Cb -0.17 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1smr s SER 85 CO 0.21 -0.45 -0.14 -1.58 0.41 0.00 0.00 173.24 171.69 1smr s GLN 86 N -3.83 1.03 0.22 12.44 0.74 -0.22 -2.59 119.66 127.45 1smr s GLN 86 Ca 0.15 -0.65 -0.22 0.00 0.05 0.00 0.00 55.36 54.69 1smr s GLN 86 Cb 0.05 -1.03 0.05 0.00 1.10 0.00 0.00 33.01 33.18 1smr s GLN 86 CO -0.02 0.27 0.89 0.34 -0.55 0.00 0.00 175.29 176.22 1smr s ASP 87 N -0.79 -0.14 0.13 6.67 -1.08 -0.31 -0.68 116.67 120.47 1smr s ASP 87 Ca 0.03 -0.60 -0.30 0.00 -0.52 0.00 0.00 52.55 51.16 1smr s ASP 87 Cb -0.07 0.60 -0.06 0.00 -1.46 0.00 0.00 42.92 41.93 1smr s ASP 87 CO 0.01 -1.14 1.02 -0.44 0.52 0.00 0.00 175.17 175.14 1smr s SER 88 N -3.03 7.39 -0.12 -0.34 0.01 -1.26 0.01 113.70 116.36 1smr s SER 88 Ca 0.14 1.91 0.02 0.00 1.31 0.00 0.00 55.95 59.33 1smr s SER 88 Cb -0.03 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1smr s SER 88 CO 0.05 -0.15 -0.16 -0.69 0.41 0.00 0.00 173.24 172.70 1smr s VAL 89 N -0.01 1.60 -0.18 3.43 1.01 0.99 -1.60 120.40 125.65 1smr s VAL 89 Ca 0.49 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1smr s VAL 89 Cb -0.26 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1smr s VAL 89 CO 0.32 0.46 -0.04 -0.89 0.00 0.00 0.00 175.10 174.95 1smr s THR 90 N 0.98 3.71 -0.03 3.92 2.01 -0.05 -1.24 115.64 124.93 1smr s THR 90 Ca -0.06 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1smr s THR 90 Cb -0.15 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.75 1smr s THR 90 CO -0.02 0.47 0.03 0.54 -0.69 0.00 0.00 174.62 174.94 1smr s VAL 91 N 0.74 0.03 -1.25 3.82 0.11 0.25 -1.54 120.40 122.56 1smr s VAL 91 Ca -0.02 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1smr s VAL 91 Cb -0.15 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1smr s VAL 91 CO 0.02 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1smr n GLY 92 N 4.62 -0.20 2.66 6.54 0.00 -1.26 -2.10 105.19 115.44 1smr n GLY 92 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1smr n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smr n GLY 93 N -1.02 0.50 3.44 -0.02 0.00 -1.26 -4.90 105.19 101.93 1smr n GLY 93 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1smr n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smr s ILE 94 N -2.28 4.00 -0.22 -0.61 1.01 -0.89 -5.11 121.20 117.10 1smr s ILE 94 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1smr s ILE 94 Cb 0.00 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1smr s ILE 94 CO 0.00 0.41 0.09 -0.89 0.00 0.00 0.00 174.94 174.55 1smr s THR 95 N 1.15 4.76 0.07 2.92 2.01 -1.26 -0.58 115.64 124.71 1smr s THR 95 Ca 0.03 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1smr s THR 95 Cb -0.14 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1smr s THR 95 CO 0.02 0.40 -0.15 0.68 -0.69 0.00 0.00 174.62 174.87 1smr s VAL 96 N 0.91 1.19 -0.45 3.82 -7.23 -0.38 -4.96 120.40 113.31 1smr s VAL 96 Ca 0.05 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 58.67 1smr s VAL 96 Cb -0.14 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.70 1smr s VAL 96 CO 0.03 -0.19 0.76 -0.89 -0.31 0.00 0.00 175.10 174.50 1smr s THR 97 N -1.23 4.67 0.04 5.32 2.01 -1.26 -0.00 115.64 125.19 1smr s THR 97 Ca -0.01 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.40 1smr s THR 97 Cb -0.10 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1smr s THR 97 CO 0.02 -0.72 -0.18 -1.58 -0.69 0.00 0.00 174.62 171.47 1smr s GLN 99 N 3.22 1.22 -0.25 4.92 2.00 0.10 -4.96 119.66 125.92 1smr s GLN 99 Ca 0.28 -0.88 -0.12 0.00 -2.00 0.00 0.00 55.36 52.65 1smr s GLN 99 Cb -0.13 -1.31 -0.05 0.00 0.80 0.00 0.00 33.01 32.33 1smr s GLN 99 CO 0.22 0.33 0.21 0.99 -0.50 0.00 0.00 175.29 176.53 1smr s THR 100 N -0.82 5.32 0.05 -0.34 2.01 -1.26 -1.16 115.64 119.44 1smr s THR 100 Ca 0.05 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 1smr s THR 100 Cb -0.08 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1smr s THR 100 CO 0.02 0.30 -0.04 0.72 -0.69 0.00 0.00 174.62 174.92 1smr s PHE 101 N 1.33 0.57 0.05 4.92 -0.71 -1.07 -4.75 117.98 118.31 1smr s PHE 101 Ca 0.09 -0.92 -0.16 0.00 -1.04 0.00 0.00 56.93 54.90 1smr s PHE 101 Cb -0.14 -0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 41.22 1smr s PHE 101 CO 0.07 -0.28 0.49 0.20 -1.34 0.00 0.00 175.22 174.35 1smr s GLY 102 N -2.63 2.55 -0.72 1.99 0.00 -0.49 -2.08 107.32 105.94 1smr s GLY 102 Ca 0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 44.72 44.43 1smr s GLY 102 CO -0.07 0.26 1.00 -0.54 0.00 0.00 0.00 173.10 173.76 1smr s GLU 103 N -1.23 3.22 -0.02 2.90 2.02 -0.70 -1.54 118.70 123.35 1smr s GLU 103 Ca 0.28 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1smr s GLU 103 Cb -0.18 -4.41 -0.03 0.00 0.10 0.00 0.00 34.13 29.62 1smr s GLU 103 CO 0.17 -1.81 1.01 0.08 0.02 0.00 0.00 175.26 174.72 1smr s VAL 104 N 3.74 4.78 -0.14 2.63 1.01 -0.58 -1.99 120.40 129.84 1smr s VAL 104 Ca 0.25 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.27 1smr s VAL 104 Cb -0.14 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1smr s VAL 104 CO 0.05 0.12 0.16 0.35 0.00 0.00 0.00 175.10 175.78 1smr n THR 105 N 4.06 0.00 -3.73 3.92 -2.24 -0.48 -1.24 114.28 114.58 1smr n THR 105 Ca 0.07 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1smr n THR 105 Cb 0.50 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1smr n THR 105 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1smr s GLN 106 N -1.74 0.70 -0.36 -0.78 0.74 -0.87 -3.57 119.66 113.78 1smr s GLN 106 Ca 0.01 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.48 1smr s GLN 106 Cb 0.03 -1.96 0.12 0.00 1.10 0.00 0.00 33.01 32.30 1smr s GLN 106 CO 0.19 -0.93 0.16 -1.17 -0.55 0.00 0.00 175.29 172.99 1smr s LEU 107 N 1.68 2.09 0.28 3.68 2.96 -1.26 -2.13 118.68 125.98 1smr s LEU 107 Ca 0.08 -2.01 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 1smr s LEU 107 Cb -0.17 -0.82 -0.13 0.00 0.50 0.00 0.00 46.19 45.57 1smr s LEU 107 CO -0.23 -0.35 1.30 -0.81 -1.32 0.00 0.00 176.35 174.93 1smr n PRO 108 N 4.34 1.94 -0.14 0.98 -0.04 -1.26 -4.43 135.00 136.38 1smr n PRO 108 Ca 0.03 0.68 -0.03 0.00 -0.04 0.00 0.00 63.50 64.14 1smr n PRO 108 Cb 0.39 -2.27 0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1smr n PRO 108 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1smr h LEU 109 N 3.23 -0.31 -8.69 1.53 5.85 -1.95 -3.05 115.31 111.92 1smr h LEU 109 Ca -0.45 0.12 -0.66 0.00 0.84 0.00 0.00 57.88 57.74 1smr h LEU 109 Cb 1.29 0.24 -0.21 0.00 0.37 0.00 0.00 40.66 42.35 1smr h LEU 109 CO 0.68 -0.11 -0.55 -0.63 -0.34 0.00 0.00 178.44 177.50 1smr s ILE 110 N -6.20 4.84 -2.48 4.05 -1.09 -1.26 -0.35 121.20 118.71 1smr s ILE 110 Ca -0.14 -0.19 0.22 0.00 -2.23 0.00 0.00 60.65 58.31 1smr s ILE 110 Cb 0.15 -3.39 0.11 0.00 -1.58 0.00 0.00 42.46 37.76 1smr s ILE 110 CO 0.72 0.15 1.14 -0.81 -1.23 0.00 0.00 174.94 174.91 1smr n PRO 111 N 5.01 1.83 0.32 2.79 -0.04 -1.26 -4.95 135.00 138.71 1smr n PRO 111 Ca -0.14 -1.53 0.20 0.00 -0.04 0.00 0.00 63.50 61.98 1smr n PRO 111 Cb 0.50 -1.42 1.09 0.00 -0.04 0.00 0.00 33.50 33.63 1smr n PRO 111 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1smr h PHE 112 N 3.66 0.00 0.00 0.54 -1.00 -1.40 0.02 116.94 118.76 1smr h PHE 112 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1smr h PHE 112 Cb 0.85 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.41 1smr h PHE 112 CO 0.00 0.00 -0.01 1.98 -1.61 0.00 0.00 178.31 178.67 1smr h MET 113 N 0.00 0.00 -0.01 1.51 4.05 -0.86 -2.81 114.93 116.82 1smr h MET 113 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1smr h MET 113 Cb 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1smr h MET 113 CO -0.00 0.01 -0.27 1.28 0.23 0.00 0.00 176.91 178.17 1smr n LEU 114 N -3.11 0.81 -4.73 3.39 4.77 -0.01 -4.92 117.00 113.20 1smr n LEU 114 Ca 0.01 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 1smr n LEU 114 Cb 0.34 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1smr n LEU 114 CO 0.28 0.16 0.74 0.00 -1.33 0.00 0.00 177.39 177.24 1smr s ALA 115 N -2.59 3.32 -0.18 -1.18 0.00 -1.06 -4.92 121.76 115.14 1smr s ALA 115 Ca 0.23 0.71 0.22 0.00 0.00 0.00 0.00 51.96 53.12 1smr s ALA 115 Cb 0.19 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1smr s ALA 115 CO 0.54 -0.12 0.85 1.04 0.00 0.00 0.00 175.76 178.07 1smr n GLN 116 N 2.55 0.61 -2.86 0.00 1.13 -1.26 -4.88 117.38 112.67 1smr n GLN 116 Ca 0.02 0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.77 1smr n GLN 116 Cb 0.47 -1.71 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 1smr n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1smr s PHE 117 N -3.41 3.42 -0.12 1.08 -0.12 -1.26 -4.93 117.98 112.64 1smr s PHE 117 Ca -0.03 1.23 -0.21 0.00 -0.05 0.00 0.00 56.93 57.87 1smr s PHE 117 Cb 0.11 -2.57 -0.26 0.00 -0.63 0.00 0.00 43.02 39.67 1smr s PHE 117 CO 0.83 -0.09 0.61 -0.44 -0.05 0.00 0.00 175.22 176.08 1smr h ASP 118 N 1.57 0.24 -1.14 1.98 3.32 -1.30 -3.49 116.42 117.60 1smr h ASP 118 Ca -0.47 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 55.73 1smr h ASP 118 Cb 1.18 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1smr h ASP 118 CO 0.64 1.41 0.00 0.61 -1.72 0.00 0.00 179.24 180.17 1smr n GLY 119 N 1.64 3.16 3.03 2.75 0.00 -0.82 -4.24 105.19 110.71 1smr n GLY 119 Ca -0.21 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1smr n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smr s VAL 120 N -2.44 0.98 -0.56 1.61 1.01 -1.05 -2.24 120.40 117.72 1smr s VAL 120 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1smr s VAL 120 Cb 0.00 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 35.65 1smr s VAL 120 CO 0.00 0.30 0.41 -0.22 0.00 0.00 0.00 175.10 175.60 1smr s LEU 121 N 0.29 5.66 0.28 3.92 0.20 -0.73 -1.18 118.68 127.11 1smr s LEU 121 Ca -0.06 -2.31 -0.29 0.00 0.69 0.00 0.00 54.13 52.16 1smr s LEU 121 Cb -0.11 -1.97 -0.10 0.00 -0.43 0.00 0.00 46.19 43.59 1smr s LEU 121 CO 0.01 -0.57 1.12 -0.83 -0.29 0.00 0.00 176.35 175.79 1smr s GLY 122 N 1.92 3.04 -0.23 7.98 0.00 0.69 -1.50 107.32 119.23 1smr s GLY 122 Ca 0.11 0.92 0.13 0.00 0.00 0.00 0.00 44.72 45.88 1smr s GLY 122 CO -0.03 1.54 1.47 1.03 0.00 0.00 0.00 173.10 177.11 1smr n MET 123 N 1.25 2.54 0.00 2.90 0.00 0.21 -4.42 117.12 119.60 1smr n MET 123 Ca -0.01 -2.98 0.00 0.00 0.00 0.00 0.00 57.70 54.72 1smr n MET 123 Cb 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.80 1smr n MET 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1smr n GLY 124 N -0.74 0.41 3.91 3.03 0.00 0.11 -4.74 105.19 107.17 1smr n GLY 124 Ca 0.28 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 1smr n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1smr s PHE 125 N 0.57 3.44 0.43 1.61 0.40 -1.26 -4.86 117.98 118.30 1smr s PHE 125 Ca 0.00 0.12 0.17 0.00 -0.60 0.00 0.00 56.93 56.62 1smr s PHE 125 Cb 0.00 -1.66 1.07 0.00 0.51 0.00 0.00 43.02 42.94 1smr s PHE 125 CO 0.00 0.53 1.90 -1.35 0.70 0.00 0.00 175.22 177.00 1smr h PRO 126 N 2.38 0.39 0.00 0.24 0.11 -1.93 0.80 132.00 133.99 1smr h PRO 126 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1smr h PRO 126 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1smr h PRO 126 CO 0.69 0.26 -0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1smr h ALA 127 N 1.63 1.01 -0.01 -0.75 0.00 -1.95 -1.86 119.26 117.34 1smr h ALA 127 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1smr h ALA 127 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1smr h ALA 127 CO -0.13 0.00 -0.36 1.04 0.00 0.00 0.00 179.25 179.80 1smr n GLN 128 N -3.11 0.90 -2.45 0.00 6.02 0.27 -4.92 117.38 114.10 1smr n GLN 128 Ca -0.02 -0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 55.92 1smr n GLN 128 Cb 0.14 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1smr n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smr s ALA 129 N -2.53 3.49 0.39 -1.58 0.00 -0.70 -4.44 121.76 116.39 1smr s ALA 129 Ca 0.22 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 1smr s ALA 129 Cb 0.19 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1smr s ALA 129 CO 0.55 -0.76 1.35 0.08 0.00 0.00 0.00 175.76 176.99 1smr s VAL 130 N 2.18 2.47 0.00 0.00 1.01 -1.26 -2.35 120.40 122.46 1smr s VAL 130 Ca 0.56 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1smr s VAL 130 Cb -0.25 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1smr s VAL 130 CO 0.22 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1smr n GLY 131 N 0.65 0.60 2.41 4.51 0.00 -1.26 -3.46 105.19 108.65 1smr n GLY 131 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1smr n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smr n GLY 132 N -2.16 -0.19 3.76 -0.02 0.00 -0.99 -4.96 105.19 100.62 1smr n GLY 132 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1smr n GLY 132 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smr s VAL 133 N -2.89 4.75 0.07 1.61 -7.23 -1.22 -5.00 120.40 110.48 1smr s VAL 133 Ca 0.00 1.49 -0.33 0.00 -1.81 0.00 0.00 61.98 61.33 1smr s VAL 133 Cb 0.00 -4.05 -0.13 0.00 0.56 0.00 0.00 36.38 32.77 1smr s VAL 133 CO 0.00 0.41 1.73 0.41 -0.31 0.00 0.00 175.10 177.33 1smr n THR 134 N 2.61 0.26 -1.80 5.32 -1.04 -1.26 -4.76 114.28 113.62 1smr n THR 134 Ca -0.05 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.59 1smr n THR 134 Cb 0.50 -1.76 0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1smr n THR 134 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1smr s PRO 135 N 2.29 2.95 0.15 -2.82 0.02 -1.26 -4.79 135.00 131.54 1smr s PRO 135 Ca 0.84 1.26 -0.25 0.00 0.02 0.00 0.00 61.00 62.87 1smr s PRO 135 Cb -0.65 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 31.90 1smr s PRO 135 CO 0.42 -1.11 1.61 0.28 -0.33 0.00 0.00 177.00 177.87 1smr h VAL 136 N -0.01 0.28 -0.67 3.83 2.07 -1.84 -1.86 116.25 118.06 1smr h VAL 136 Ca -0.46 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1smr h VAL 136 Cb 1.23 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1smr h VAL 136 CO 0.55 0.00 0.44 0.15 0.02 0.00 0.00 177.57 178.74 1smr h PHE 137 N -0.33 0.79 -0.24 1.57 3.57 -1.93 -0.75 116.94 119.61 1smr h PHE 137 Ca 0.12 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1smr h PHE 137 Cb 0.53 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1smr h PHE 137 CO -0.44 0.47 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.55 1smr h ASP 138 N 0.82 0.37 -0.07 0.41 5.19 -1.75 0.74 116.42 122.14 1smr h ASP 138 Ca 0.26 -0.08 -0.18 0.00 -0.62 0.00 0.00 57.03 56.41 1smr h ASP 138 Cb 0.04 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1smr h ASP 138 CO -0.07 0.52 -0.60 0.45 -3.12 0.00 0.00 179.24 176.42 1smr h HIS 139 N 0.37 0.87 -0.54 4.55 3.86 -0.41 -2.40 115.15 121.44 1smr h HIS 139 Ca 0.07 -0.33 -0.09 0.00 -1.16 0.00 0.00 60.37 58.86 1smr h HIS 139 Cb 0.42 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1smr h HIS 139 CO 0.01 1.11 -0.04 0.82 0.86 0.00 0.00 177.93 180.69 1smr h ILE 140 N 0.51 1.26 -0.77 2.45 2.04 -0.43 -2.48 117.51 120.09 1smr h ILE 140 Ca -0.00 -1.15 0.08 0.00 1.00 0.00 0.00 64.86 64.79 1smr h ILE 140 Cb 1.18 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1smr h ILE 140 CO 0.12 0.41 0.51 -0.07 0.00 0.00 0.00 178.15 179.11 1smr h LEU 141 N 0.87 0.69 -0.81 1.44 3.38 -0.83 -2.15 115.31 117.91 1smr h LEU 141 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1smr h LEU 141 Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1smr h LEU 141 CO 0.03 0.44 -0.00 0.28 0.09 0.00 0.00 178.44 179.28 1smr h SER 142 N 0.78 0.87 0.00 -0.43 0.02 -0.97 -2.65 113.55 111.17 1smr h SER 142 Ca 0.34 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1smr h SER 142 Cb 0.32 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1smr h SER 142 CO -0.12 0.93 0.00 0.00 -1.14 0.00 0.00 176.83 176.50 1smr n GLN 143 N -4.20 0.95 -3.75 3.45 10.64 -0.81 -4.89 117.38 118.78 1smr n GLN 143 Ca 0.03 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.97 1smr n GLN 143 Cb 0.32 -1.32 0.02 0.00 -0.86 0.00 0.00 30.24 28.41 1smr n GLN 143 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1smr n GLY 144 N 0.73 -0.29 0.00 2.61 0.00 -1.00 -4.93 105.19 102.32 1smr n GLY 144 Ca 0.14 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1smr n GLY 144 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1smr n VAL 145 N -4.31 0.00 -2.17 1.61 0.24 -1.26 -4.72 118.33 107.73 1smr n VAL 145 Ca -0.29 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.36 1smr n VAL 145 Cb 0.67 0.45 -0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1smr n VAL 145 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1smr s LEU 146 N -3.51 4.11 0.21 1.34 1.43 -1.26 -1.45 118.68 119.55 1smr s LEU 146 Ca -0.02 2.46 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1smr s LEU 146 Cb 0.09 -4.08 0.17 0.00 0.03 0.00 0.00 46.19 42.40 1smr s LEU 146 CO 0.54 -0.88 1.71 0.50 0.23 0.00 0.00 176.35 178.45 1smr h LYS 147 N 2.37 1.02 -4.85 1.70 3.64 -0.16 -3.41 116.57 116.88 1smr h LYS 147 Ca -0.49 -0.27 -0.27 0.00 -1.27 0.00 0.00 60.65 58.34 1smr h LYS 147 Cb 1.25 -0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 1smr h LYS 147 CO 0.61 0.96 -0.70 -1.21 -2.27 0.00 0.00 179.45 176.84 1smr s GLU 148 N -5.14 0.96 -1.12 1.90 0.41 -1.01 -4.95 118.70 109.75 1smr s GLU 148 Ca -0.11 -1.40 -0.05 0.00 -0.41 0.00 0.00 54.97 52.99 1smr s GLU 148 Cb 0.14 -0.39 0.09 0.00 -1.78 0.00 0.00 34.13 32.19 1smr s GLU 148 CO 0.84 0.01 2.52 1.63 -0.49 0.00 0.00 175.26 179.77 1smr n LYS 149 N -0.13 4.05 -4.10 1.61 5.02 -1.26 -4.19 118.16 119.15 1smr n LYS 149 Ca -0.11 -3.13 -0.08 0.00 -2.02 0.00 0.00 58.31 52.98 1smr n LYS 149 Cb 0.61 -2.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 1smr n LYS 149 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1smr s VAL 150 N -1.22 0.24 0.03 -0.18 -7.23 -1.26 -1.49 120.40 109.29 1smr s VAL 150 Ca 0.56 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1smr s VAL 150 Cb 0.23 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1smr s VAL 150 CO -0.12 -0.92 -0.08 0.72 -0.31 0.00 0.00 175.10 174.39 1smr s PHE 151 N -3.92 0.71 0.12 2.82 -0.12 -0.99 -0.50 117.98 116.11 1smr s PHE 151 Ca 0.10 -0.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1smr s PHE 151 Cb 0.08 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 1smr s PHE 151 CO -0.08 -0.04 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.46 1smr s SER 152 N -1.14 1.18 -0.05 1.98 1.04 0.51 -0.66 113.70 116.57 1smr s SER 152 Ca -0.05 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1smr s SER 152 Cb -0.08 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1smr s SER 152 CO 0.00 -0.49 -0.06 -0.69 0.98 0.00 0.00 173.24 172.99 1smr s VAL 153 N -3.62 0.64 -0.17 5.02 1.01 0.07 -0.48 120.40 122.87 1smr s VAL 153 Ca 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1smr s VAL 153 Cb 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1smr s VAL 153 CO -0.02 0.24 -0.19 -0.47 0.00 0.00 0.00 175.10 174.67 1smr s TYR 154 N 0.83 2.61 -0.21 5.22 5.04 -0.56 -2.05 117.35 128.22 1smr s TYR 154 Ca -0.12 -1.51 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 1smr s TYR 154 Cb -0.15 -1.83 -0.02 0.00 0.35 0.00 0.00 41.96 40.32 1smr s TYR 154 CO 0.01 -0.76 -0.01 0.71 -1.34 0.00 0.00 175.55 174.16 1smr s TYR 155 N 1.30 3.01 0.67 4.97 2.02 -1.26 -0.39 117.35 127.67 1smr s TYR 155 Ca 0.04 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1smr s TYR 155 Cb -0.13 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1smr s TYR 155 CO -0.12 -0.35 0.96 1.21 -1.57 0.00 0.00 175.55 175.69 1smr s ASN 156 N 1.20 4.92 -0.03 2.29 3.84 0.62 -4.42 114.94 123.35 1smr s ASN 156 Ca 0.03 0.34 -0.08 0.00 0.21 0.00 0.00 52.86 53.36 1smr s ASN 156 Cb -0.15 -1.05 -0.05 0.00 -0.55 0.00 0.00 41.25 39.46 1smr s ASN 156 CO 0.01 -1.50 0.25 -0.13 -2.79 0.00 0.00 177.10 172.94 1smr s ARG 157 N -5.14 3.59 0.00 0.43 0.52 -1.26 -4.92 118.95 112.17 1smr s ARG 157 Ca 0.59 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1smr s ARG 157 Cb -0.11 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1smr s ARG 157 CO 0.43 0.70 0.00 0.41 0.02 0.00 0.00 175.30 176.86 1smr n GLY 158 N 1.51 0.39 3.36 -3.53 0.00 -1.26 -4.81 105.19 100.85 1smr n GLY 158 Ca -0.14 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1smr n GLY 158 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1smr n PRO 159 N 0.00 0.26 0.00 1.61 -0.04 -1.26 -4.83 135.00 130.74 1smr n PRO 159 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1smr n PRO 159 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1smr n PRO 159 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1smr n HIS 159 N -1.70 0.00 -3.00 0.54 -0.00 -1.26 -4.94 115.22 104.86 1smr n HIS 159 Ca 0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.37 1smr n HIS 159 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 1smr n HIS 159 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1smr s LEU 160 N 0.00 5.06 -0.50 2.41 1.43 -1.26 -2.99 118.68 122.84 1smr s LEU 160 Ca 0.00 -1.49 0.06 0.00 -1.03 0.00 0.00 54.13 51.67 1smr s LEU 160 Cb 0.00 -2.36 0.21 0.00 0.03 0.00 0.00 46.19 44.08 1smr s LEU 160 CO 0.00 -1.18 0.78 -0.11 0.23 0.00 0.00 176.35 176.06 1smr n LEU 161 N 6.71 -3.00 0.20 1.79 7.94 -1.26 -5.03 117.00 124.33 1smr n LEU 161 Ca 0.01 -3.20 0.09 0.00 -1.11 0.00 0.00 56.01 51.80 1smr n LEU 161 Cb 0.45 0.78 0.23 0.00 0.53 0.00 0.00 43.42 45.41 1smr n LEU 161 CO 0.57 1.97 0.70 1.23 -1.11 0.00 0.00 177.39 180.75 1smr h GLY 162 N 4.56 0.00 0.00 -3.96 0.00 -1.38 -3.42 103.07 98.87 1smr h GLY 162 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1smr h GLY 162 CO 0.18 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1smr n GLY 163 N 0.85 -0.97 3.45 4.60 0.00 -1.18 -0.27 105.19 111.66 1smr n GLY 163 Ca 0.02 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1smr n GLY 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1smr s GLU 164 N -2.00 0.88 -0.22 1.61 -1.05 0.48 -1.28 118.70 117.12 1smr s GLU 164 Ca 0.00 0.30 -0.07 0.00 -0.15 0.00 0.00 54.97 55.05 1smr s GLU 164 Cb 0.00 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1smr s GLU 164 CO 0.00 -0.23 0.07 0.08 0.95 0.00 0.00 175.26 176.12 1smr s VAL 165 N -0.84 4.52 -0.25 1.83 1.01 0.22 -1.50 120.40 125.38 1smr s VAL 165 Ca -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1smr s VAL 165 Cb -0.02 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1smr s VAL 165 CO 0.06 0.39 -0.00 -0.69 0.00 0.00 0.00 175.10 174.86 1smr s VAL 166 N 1.04 3.50 -0.27 2.92 1.01 0.37 -0.02 120.40 128.96 1smr s VAL 166 Ca 0.04 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1smr s VAL 166 Cb -0.14 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1smr s VAL 166 CO 0.03 0.28 0.55 -0.76 0.00 0.00 0.00 175.10 175.19 1smr s LEU 167 N 1.46 4.07 0.00 3.92 1.43 0.58 -0.36 118.68 129.78 1smr s LEU 167 Ca 0.04 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1smr s LEU 167 Cb -0.16 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1smr s LEU 167 CO -0.01 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1smr n GLY 168 N 4.37 0.45 0.00 -3.19 0.00 0.34 -1.82 105.19 105.34 1smr n GLY 168 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1smr n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smr n GLY 169 N -1.43 -0.60 3.41 -0.02 0.00 -1.24 -2.39 105.19 102.92 1smr n GLY 169 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1smr n GLY 169 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1smr s SER 170 N -4.00 3.59 -0.58 1.61 0.01 -1.26 -3.40 113.70 109.68 1smr s SER 170 Ca 0.00 -0.41 -0.15 0.00 1.31 0.00 0.00 55.95 56.70 1smr s SER 170 Cb 0.00 -0.55 0.14 0.00 0.21 0.00 0.00 66.02 65.82 1smr s SER 170 CO 0.00 0.29 0.52 -0.62 0.41 0.00 0.00 173.24 173.84 1smr s ASP 171 N -1.07 6.22 0.64 2.44 -1.08 -1.26 -4.96 116.67 117.60 1smr s ASP 171 Ca 0.12 -1.95 0.32 0.00 -0.52 0.00 0.00 52.55 50.53 1smr s ASP 171 Cb -0.10 -2.19 1.77 0.00 -1.46 0.00 0.00 42.92 40.94 1smr s ASP 171 CO 0.02 -0.80 2.03 1.55 0.52 0.00 0.00 175.17 178.50 1smr h PRO 172 N 8.66 0.00 0.00 4.34 0.13 -2.01 0.23 132.00 143.35 1smr h PRO 172 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1smr h PRO 172 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1smr h PRO 172 CO 0.98 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.69 1smr n GLN 173 N -3.18 0.16 -0.04 0.86 7.27 -1.26 -3.65 117.38 117.54 1smr n GLN 173 Ca -0.00 0.33 0.04 0.00 0.07 0.00 0.00 57.00 57.45 1smr n GLN 173 Cb 0.35 -1.78 0.06 0.00 2.41 0.00 0.00 30.24 31.28 1smr n GLN 173 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1smr n HIS 174 N -2.08 0.00 -3.89 3.69 8.25 0.80 -4.85 115.22 117.13 1smr n HIS 174 Ca 0.03 -0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 56.68 1smr n HIS 174 Cb 0.26 -0.09 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 1smr n HIS 174 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1smr s TYR 175 N -1.82 0.13 0.04 4.41 1.13 -1.24 -1.48 117.35 118.51 1smr s TYR 175 Ca 0.14 -0.36 0.06 0.00 -1.41 0.00 0.00 57.07 55.50 1smr s TYR 175 Cb 0.13 -0.09 -0.02 0.00 -1.10 0.00 0.00 41.96 40.87 1smr s TYR 175 CO 0.01 -0.37 -0.16 1.14 -2.51 0.00 0.00 175.55 173.66 1smr s GLN 176 N -2.37 1.08 0.82 -3.49 -2.07 0.11 -4.84 119.66 108.88 1smr s GLN 176 Ca -0.07 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1smr s GLN 176 Cb -0.02 -1.11 0.00 0.00 -1.09 0.00 0.00 33.01 30.78 1smr s GLN 176 CO -0.03 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 1smr n GLY 177 N 1.94 -1.76 3.80 2.60 0.00 -1.26 -3.57 105.19 106.94 1smr n GLY 177 Ca -0.17 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 1smr n GLY 177 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smr s ASP 178 N -4.00 5.35 0.31 1.61 1.01 -1.26 -4.98 116.67 114.71 1smr s ASP 178 Ca 0.00 -0.33 -0.21 0.00 0.71 0.00 0.00 52.55 52.72 1smr s ASP 178 Cb 0.00 -1.29 -0.09 0.00 1.01 0.00 0.00 42.92 42.54 1smr s ASP 178 CO 0.00 -0.05 0.84 -0.36 0.21 0.00 0.00 175.17 175.81 1smr s PHE 179 N -2.17 3.55 -0.28 4.23 0.08 -1.26 -4.60 117.98 117.52 1smr s PHE 179 Ca 0.33 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.88 1smr s PHE 179 Cb -0.07 -2.74 0.04 0.00 -0.57 0.00 0.00 43.02 39.67 1smr s PHE 179 CO 0.24 0.17 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.94 1smr s HIS 180 N -1.76 3.18 0.04 0.36 5.65 -0.46 -4.90 115.29 117.41 1smr s HIS 180 Ca 0.51 -1.65 -0.16 0.00 0.25 0.00 0.00 55.06 54.01 1smr s HIS 180 Cb -0.15 -2.12 -0.06 0.00 -1.18 0.00 0.00 32.58 29.08 1smr s HIS 180 CO 0.20 -0.75 0.48 0.71 -0.65 0.00 0.00 174.74 174.73 1smr s TYR 181 N 1.31 3.74 -0.06 3.88 2.02 -1.26 -1.46 117.35 125.52 1smr s TYR 181 Ca -0.02 1.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1smr s TYR 181 Cb -0.18 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.02 1smr s TYR 181 CO -0.02 0.60 -0.10 0.08 -1.57 0.00 0.00 175.55 174.54 1smr s VAL 182 N -1.14 1.00 0.30 0.71 1.01 -0.55 -4.97 120.40 116.76 1smr s VAL 182 Ca 0.27 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1smr s VAL 182 Cb -0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1smr s VAL 182 CO 0.16 0.32 1.17 -0.44 0.00 0.00 0.00 175.10 176.32 1smr s SER 183 N 0.72 7.10 0.28 3.32 0.01 -1.26 -1.53 113.70 122.33 1smr s SER 183 Ca -0.14 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.24 1smr s SER 183 Cb -0.15 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.33 1smr s SER 183 CO 0.03 -0.28 1.60 -0.76 0.41 0.00 0.00 173.24 174.24 1smr s LEU 184 N -1.56 4.35 0.00 2.44 1.43 -1.05 -4.68 118.68 119.61 1smr s LEU 184 Ca 0.46 2.91 0.29 0.00 -1.03 0.00 0.00 54.13 56.77 1smr s LEU 184 Cb -0.35 -3.63 1.34 0.00 0.03 0.00 0.00 46.19 43.58 1smr s LEU 184 CO 0.45 -0.90 1.91 -1.54 0.23 0.00 0.00 176.35 176.50 1smr n SER 185 N 2.42 0.77 -3.63 2.29 3.41 0.32 -4.78 113.62 114.41 1smr n SER 185 Ca 0.09 -1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 57.57 1smr n SER 185 Cb 0.37 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1smr n SER 185 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1smr s LYS 186 N -2.14 0.49 0.00 4.33 2.20 -1.26 -5.00 119.74 118.37 1smr s LYS 186 Ca 0.38 1.30 0.20 0.00 -0.36 0.00 0.00 55.97 57.49 1smr s LYS 186 Cb 0.21 0.68 0.96 0.00 -1.51 0.00 0.00 37.83 38.16 1smr s LYS 186 CO 0.39 -0.23 1.63 0.25 -0.36 0.00 0.00 175.35 177.03 1smr n THR 187 N 5.43 0.47 -1.63 3.43 -2.24 -1.26 -3.60 114.28 114.88 1smr n THR 187 Ca -0.10 0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1smr n THR 187 Cb 0.49 -0.78 0.18 0.00 -2.10 0.00 0.00 70.33 68.12 1smr n THR 187 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1smr n ASP 188 N -1.35 2.39 -3.55 3.42 8.00 -1.26 -5.00 116.55 119.20 1smr n ASP 188 Ca 0.08 -3.86 -0.16 0.00 0.71 0.00 0.00 54.79 51.56 1smr n ASP 188 Cb 0.18 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 1smr n ASP 188 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1smr s SER 189 N -3.14 -0.60 -1.52 -2.24 0.15 -1.24 -4.52 113.70 100.60 1smr s SER 189 Ca 0.42 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 1smr s SER 189 Cb 0.39 0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1smr s SER 189 CO -0.04 -0.50 2.48 0.79 1.20 0.00 0.00 173.24 177.17 1smr n TRP 190 N 1.11 3.15 -5.23 3.44 7.02 -1.26 -4.69 117.44 120.97 1smr n TRP 190 Ca -0.16 -3.02 -0.31 0.00 -1.02 0.00 0.00 57.50 52.99 1smr n TRP 190 Cb 0.57 -2.54 -0.16 0.00 -2.42 0.00 0.00 31.31 26.76 1smr n TRP 190 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1smr s GLN 191 N 2.83 2.49 0.19 -0.99 0.74 -1.26 -0.54 119.66 123.11 1smr s GLN 191 Ca 0.55 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 1smr s GLN 191 Cb 0.15 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 1smr s GLN 191 CO -0.08 0.37 0.12 0.96 -0.55 0.00 0.00 175.29 176.12 1smr s ILE 192 N -0.15 0.02 -0.18 -2.34 -4.36 -0.61 -0.52 121.20 113.06 1smr s ILE 192 Ca -0.04 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1smr s ILE 192 Cb -0.14 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1smr s ILE 192 CO 0.04 -0.10 0.03 -0.89 0.24 0.00 0.00 174.94 174.25 1smr s THR 193 N -4.13 4.47 -0.25 8.37 2.01 -1.26 -1.52 115.64 123.32 1smr s THR 193 Ca 0.35 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 1smr s THR 193 Cb 0.07 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1smr s THR 193 CO 0.10 0.47 0.16 -0.32 -0.69 0.00 0.00 174.62 174.33 1smr s MET 194 N 0.41 3.99 -0.52 4.92 1.75 0.79 -4.42 119.30 126.22 1smr s MET 194 Ca 0.01 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.16 1smr s MET 194 Cb -0.13 -3.55 0.60 0.00 2.84 0.00 0.00 34.83 34.59 1smr s MET 194 CO 0.01 -0.04 1.95 1.63 -0.65 0.00 0.00 175.02 177.92 1smr n LYS 195 N 4.59 2.39 0.00 4.11 4.76 -0.84 0.04 118.16 133.21 1smr n LYS 195 Ca -0.15 -3.11 0.00 0.00 -2.87 0.00 0.00 58.31 52.19 1smr n LYS 195 Cb 0.52 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1smr n LYS 195 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1smr n GLY 196 N -1.08 4.53 2.90 0.72 0.00 -0.79 -4.24 105.19 107.24 1smr n GLY 196 Ca 0.61 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1smr n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smr s VAL 197 N -0.96 1.04 -0.15 1.61 1.01 -0.40 -0.68 120.40 121.86 1smr s VAL 197 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1smr s VAL 197 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1smr s VAL 197 CO 0.00 0.34 -0.04 -0.44 0.00 0.00 0.00 175.10 174.96 1smr s SER 198 N 1.70 4.76 -0.25 3.32 0.01 0.10 -1.60 113.70 121.74 1smr s SER 198 Ca 0.04 -0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 1smr s SER 198 Cb -0.13 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 1smr s SER 198 CO -0.08 0.17 0.03 -0.69 0.41 0.00 0.00 173.24 173.08 1smr s VAL 199 N 0.33 3.81 0.00 3.43 1.01 -1.26 -0.89 120.40 126.83 1smr s VAL 199 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1smr s VAL 199 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1smr s VAL 199 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1smr n GLY 200 N 4.85 1.56 0.03 4.51 0.00 0.25 -1.68 105.19 114.71 1smr n GLY 200 Ca -0.16 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1smr n GLY 200 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1smr n SER 201 N 11.38 3.30 -3.64 1.61 2.88 -1.26 -4.77 113.62 123.12 1smr n SER 201 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1smr n SER 201 Cb 0.00 0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 64.10 1smr n SER 201 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1smr s SER 202 N -3.79 -0.34 0.00 -3.46 0.15 -0.67 -4.95 113.70 100.63 1smr s SER 202 Ca -0.03 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1smr s SER 202 Cb 0.02 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1smr s SER 202 CO 0.28 -0.09 0.00 1.07 1.20 0.00 0.00 173.24 175.71 1smr n THR 203 N 3.49 0.00 -1.62 6.45 5.66 -1.26 -4.80 114.28 122.20 1smr n THR 203 Ca -0.18 0.00 -0.54 0.00 -3.05 0.00 0.00 64.05 60.28 1smr n THR 203 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.28 1smr n THR 203 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1smr n LEU 204 N 0.00 2.44 -4.43 1.09 7.99 -1.26 -4.36 117.00 118.48 1smr n LEU 204 Ca 0.00 0.87 -0.21 0.00 -0.01 0.00 0.00 56.01 56.66 1smr n LEU 204 Cb 0.00 -1.20 -0.11 0.00 -0.11 0.00 0.00 43.42 42.00 1smr n LEU 204 CO 0.00 -0.45 -0.27 -0.76 -1.51 0.00 0.00 177.39 174.40 1smr s LEU 205 N 4.72 2.12 -2.06 2.23 1.43 -0.63 -4.88 118.68 121.61 1smr s LEU 205 Ca 1.01 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1smr s LEU 205 Cb -0.97 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1smr s LEU 205 CO 0.59 -0.62 0.00 0.00 0.23 0.00 0.00 176.35 176.55 1smr h GLU 207 N 0.00 0.32 0.00 0.00 5.08 -1.90 0.17 114.58 118.25 1smr h GLU 207 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1smr h GLU 207 Cb 1.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1smr h GLU 207 CO 0.58 0.29 0.00 1.05 -1.00 0.00 0.00 179.01 179.94 1smr h GLU 208 N 0.32 0.00 0.00 2.33 9.09 -1.88 -3.44 114.58 120.99 1smr h GLU 208 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1smr h GLU 208 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1smr h GLU 208 CO -0.01 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.46 1smr n GLY 209 N -0.31 2.41 3.12 1.06 0.00 0.54 -5.05 105.19 106.96 1smr n GLY 209 Ca 0.01 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1smr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smr s GLU 211 N -0.26 4.25 -0.04 0.00 0.41 -1.26 -0.15 118.70 121.64 1smr s GLU 211 Ca 0.04 0.83 -0.03 0.00 -0.41 0.00 0.00 54.97 55.40 1smr s GLU 211 Cb -0.07 -3.02 0.02 0.00 -1.78 0.00 0.00 34.13 29.28 1smr s GLU 211 CO -0.00 0.48 0.11 0.54 -0.49 0.00 0.00 175.26 175.90 1smr s VAL 212 N -1.38 -0.02 -0.17 2.63 0.11 -0.58 -0.81 120.40 120.19 1smr s VAL 212 Ca 0.38 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.42 1smr s VAL 212 Cb -0.18 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1smr s VAL 212 CO 0.21 0.03 0.16 -0.69 -3.33 0.00 0.00 175.10 171.48 1smr s VAL 213 N 0.53 5.41 -0.84 2.04 1.01 -0.71 -1.58 120.40 126.27 1smr s VAL 213 Ca -0.04 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1smr s VAL 213 Cb -0.06 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.95 1smr s VAL 213 CO -0.02 0.48 1.10 -0.69 0.00 0.00 0.00 175.10 175.97 1smr s VAL 214 N 0.01 4.50 -0.48 2.92 1.01 0.30 -2.11 120.40 126.56 1smr s VAL 214 Ca 0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1smr s VAL 214 Cb -0.12 -4.77 0.10 0.00 0.00 0.00 0.00 36.38 31.59 1smr s VAL 214 CO 0.00 -1.53 0.37 -0.62 0.00 0.00 0.00 175.10 173.33 1smr s ASP 215 N 3.78 5.90 0.50 3.32 -1.08 -0.98 -4.68 116.67 123.43 1smr s ASP 215 Ca 0.30 -1.65 0.28 0.00 -0.52 0.00 0.00 52.55 50.97 1smr s ASP 215 Cb -0.09 -2.09 1.25 0.00 -1.46 0.00 0.00 42.92 40.53 1smr s ASP 215 CO -0.02 -0.69 1.96 0.71 0.52 0.00 0.00 175.17 177.65 1smr h THR 216 N 5.98 0.38 -0.03 1.71 1.35 -1.83 -2.89 112.91 117.58 1smr h THR 216 Ca -0.25 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1smr h THR 216 Cb 1.09 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1smr h THR 216 CO 0.88 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1smr n GLY 217 N -0.15 -0.06 3.58 5.82 0.00 -1.26 -4.71 105.19 108.42 1smr n GLY 217 Ca -0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1smr n GLY 217 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1smr s SER 218 N -1.96 5.50 0.07 1.61 0.15 -1.09 -5.02 113.70 112.96 1smr s SER 218 Ca 0.38 -0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.80 1smr s SER 218 Cb 0.21 -1.96 -0.14 0.00 -1.71 0.00 0.00 66.02 62.42 1smr s SER 218 CO 0.33 0.11 1.62 0.28 1.20 0.00 0.00 173.24 176.78 1smr h SER 219 N 7.18 0.07 -0.78 5.45 0.02 -1.88 0.51 113.55 124.12 1smr h SER 219 Ca -0.37 -0.14 -0.58 0.00 -0.84 0.00 0.00 61.79 59.87 1smr h SER 219 Cb 1.17 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1smr h SER 219 CO 0.66 0.19 -0.35 -0.36 -1.14 0.00 0.00 176.83 175.83 1smr s PHE 220 N -5.64 1.88 -0.00 3.45 0.08 -1.26 -2.81 117.98 113.67 1smr s PHE 220 Ca -0.14 -0.78 -0.18 0.00 0.12 0.00 0.00 56.93 55.95 1smr s PHE 220 Cb 0.05 -1.93 -0.06 0.00 -0.57 0.00 0.00 43.02 40.52 1smr s PHE 220 CO 0.67 -0.32 0.52 0.42 -0.10 0.00 0.00 175.22 176.42 1smr s ILE 221 N -2.72 4.94 0.16 0.64 1.01 -1.01 -2.64 121.20 121.57 1smr s ILE 221 Ca 0.35 1.09 0.10 0.00 0.00 0.00 0.00 60.65 62.20 1smr s ILE 221 Cb -0.01 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1smr s ILE 221 CO 0.21 0.48 -0.23 -0.94 0.00 0.00 0.00 174.94 174.46 1smr s SER 222 N -0.50 3.11 0.13 3.58 1.04 -0.24 -0.92 113.70 119.90 1smr s SER 222 Ca 0.28 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.94 1smr s SER 222 Cb -0.18 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1smr s SER 222 CO 0.16 0.09 -0.11 0.00 0.98 0.00 0.00 173.24 174.36 1smr s ALA 223 N -1.56 1.34 0.63 5.32 0.00 -0.92 -0.47 121.76 126.11 1smr s ALA 223 Ca 0.16 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1smr s ALA 223 Cb -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1smr s ALA 223 CO 0.08 -0.04 1.02 -2.30 0.00 0.00 0.00 175.76 174.51 1smr n PRO 224 N 0.19 0.86 -0.25 0.00 -0.02 -1.26 -0.97 135.00 133.55 1smr n PRO 224 Ca -0.13 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1smr n PRO 224 Cb 0.59 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 1smr n PRO 224 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1smr h THR 225 N 0.34 0.69 -0.23 3.45 2.02 -1.91 0.51 112.91 117.78 1smr h THR 225 Ca -0.49 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 66.59 1smr h THR 225 Cb 1.36 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 1smr h THR 225 CO 0.50 0.08 -0.12 0.28 0.37 0.00 0.00 175.52 176.63 1smr h SER 226 N 0.46 -0.41 -0.23 4.18 0.02 -2.00 -1.06 113.55 114.50 1smr h SER 226 Ca 0.40 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.34 1smr h SER 226 Cb 0.57 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1smr h SER 226 CO -0.38 -0.16 -0.27 0.28 -1.14 0.00 0.00 176.83 175.16 1smr h SER 227 N -0.10 0.64 -0.56 3.07 0.02 -1.71 -3.20 113.55 111.71 1smr h SER 227 Ca 0.13 -0.49 0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1smr h SER 227 Cb 0.29 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1smr h SER 227 CO -0.29 1.01 0.22 0.25 -1.14 0.00 0.00 176.83 176.87 1smr h LEU 228 N 0.29 0.24 -1.02 5.07 7.12 -0.66 -1.72 115.31 124.62 1smr h LEU 228 Ca 0.03 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.18 1smr h LEU 228 Cb 0.84 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.94 1smr h LEU 228 CO 0.07 0.15 0.65 0.11 -0.13 0.00 0.00 178.44 179.29 1smr h LYS 229 N 0.41 1.11 -0.72 1.25 1.57 -1.19 -2.29 116.57 116.70 1smr h LYS 229 Ca 0.27 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1smr h LYS 229 Cb 0.30 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1smr h LYS 229 CO -0.26 0.73 0.22 -0.07 -0.57 0.00 0.00 179.45 179.50 1smr h LEU 230 N 1.14 1.05 -0.16 2.94 4.07 -1.36 -2.77 115.31 120.22 1smr h LEU 230 Ca 0.44 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 1smr h LEU 230 Cb 0.22 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1smr h LEU 230 CO -0.19 0.98 -0.19 0.40 -1.08 0.00 0.00 178.44 178.36 1smr h ILE 231 N 1.07 1.34 -0.12 1.22 2.04 -0.83 -2.88 117.51 119.37 1smr h ILE 231 Ca 0.23 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 1smr h ILE 231 Cb 0.31 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1smr h ILE 231 CO -0.01 0.41 -0.15 0.24 0.00 0.00 0.00 178.15 178.65 1smr h MET 232 N 0.06 0.18 -0.24 2.37 2.86 -1.39 -2.14 114.93 116.63 1smr h MET 232 Ca 0.02 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1smr h MET 232 Cb 0.74 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1smr h MET 232 CO 0.05 0.34 -0.14 1.96 1.06 0.00 0.00 176.91 180.17 1smr h GLN 233 N 0.17 0.52 -0.11 1.72 4.20 -1.52 0.10 115.11 120.19 1smr h GLN 233 Ca 0.04 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.53 1smr h GLN 233 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1smr h GLN 233 CO 0.02 0.80 0.08 0.00 -0.67 0.00 0.00 178.83 179.06 1smr h ALA 234 N 0.71 2.06 -0.00 3.87 0.00 -1.18 -2.57 119.26 122.15 1smr h ALA 234 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1smr h ALA 234 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1smr h ALA 234 CO 0.04 -0.08 -0.53 1.28 0.00 0.00 0.00 179.25 179.96 1smr n LEU 235 N -4.51 0.57 -0.81 0.00 4.77 -0.88 -4.94 117.00 111.20 1smr n LEU 235 Ca -0.01 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 1smr n LEU 235 Cb 0.17 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1smr n LEU 235 CO 0.34 0.14 -0.10 0.61 -1.33 0.00 0.00 177.39 177.06 1smr n GLY 236 N 1.49 0.87 3.83 -0.72 0.00 -0.96 -5.01 105.19 104.69 1smr n GLY 236 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1smr n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smr s ALA 237 N -2.38 2.84 -0.00 4.61 0.00 0.31 -4.95 121.76 122.18 1smr s ALA 237 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1smr s ALA 237 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1smr s ALA 237 CO 0.00 -0.80 -0.17 0.15 0.00 0.00 0.00 175.76 174.93 1smr s LYS 238 N -4.53 1.36 -0.53 0.00 3.01 -0.60 -4.75 119.74 113.69 1smr s LYS 238 Ca 0.60 -0.68 -0.28 0.00 -1.01 0.00 0.00 55.97 54.60 1smr s LYS 238 Cb -0.13 -1.34 0.01 0.00 -1.01 0.00 0.00 37.83 35.35 1smr s LYS 238 CO 0.44 0.36 1.52 -2.00 0.51 0.00 0.00 175.35 176.18 1smr s GLU 239 N -0.58 3.24 0.07 1.68 2.12 -1.26 0.29 118.70 124.27 1smr s GLU 239 Ca 0.06 0.63 0.27 0.00 0.36 0.00 0.00 54.97 56.29 1smr s GLU 239 Cb -0.07 -4.16 0.88 0.00 0.26 0.00 0.00 34.13 31.04 1smr s GLU 239 CO -0.00 -2.00 1.72 0.36 -0.54 0.00 0.00 175.26 174.80 1smr n LYS 240 N 8.65 0.10 -3.70 4.30 2.85 0.12 -4.82 118.16 125.67 1smr n LYS 240 Ca 0.15 0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.33 1smr n LYS 240 Cb 0.49 -1.60 -0.08 0.00 -0.65 0.00 0.00 35.03 33.19 1smr n LYS 240 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1smr s ARG 241 N -3.05 0.76 -0.25 -1.58 3.52 -1.19 -5.05 118.95 112.12 1smr s ARG 241 Ca 0.12 -0.04 -0.41 0.00 -0.13 0.00 0.00 55.73 55.27 1smr s ARG 241 Cb 0.16 0.35 -0.17 0.00 -1.56 0.00 0.00 34.95 33.73 1smr s ARG 241 CO 0.60 -0.22 1.64 -0.11 -0.81 0.00 0.00 175.30 176.41 1smr n LEU 242 N 1.25 2.01 0.00 -0.88 7.94 -1.26 -0.82 117.00 125.24 1smr n LEU 242 Ca -0.21 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1smr n LEU 242 Cb 0.56 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.41 1smr n LEU 242 CO 0.22 -0.64 0.00 1.41 -1.11 0.00 0.00 177.39 177.27 1smr n HIS 243 N 4.62 0.00 -3.70 1.96 8.25 -1.26 -5.00 115.22 120.09 1smr n HIS 243 Ca 0.26 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.34 1smr n HIS 243 Cb 0.11 -0.34 -0.12 0.00 1.12 0.00 0.00 29.99 30.75 1smr n HIS 243 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1smr s GLU 244 N -0.19 3.14 0.03 -0.41 2.12 0.00 -4.70 118.70 118.69 1smr s GLU 244 Ca 0.00 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.50 1smr s GLU 244 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1smr s GLU 244 CO 0.00 -0.47 0.08 0.71 -0.54 0.00 0.00 175.26 175.04 1smr s TYR 245 N 1.55 3.25 0.17 5.30 1.51 -1.26 0.15 117.35 128.02 1smr s TYR 245 Ca 0.03 0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1smr s TYR 245 Cb -0.17 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1smr s TYR 245 CO 0.04 0.54 0.09 0.14 -1.11 0.00 0.00 175.55 175.25 1smr s VAL 246 N -1.28 0.10 0.22 0.71 -7.23 0.15 -1.36 120.40 111.70 1smr s VAL 246 Ca 0.26 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1smr s VAL 246 Cb -0.12 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1smr s VAL 246 CO 0.17 -0.24 0.01 0.68 -0.31 0.00 0.00 175.10 175.41 1smr s VAL 247 N -4.07 0.89 0.11 1.32 -7.23 0.31 -1.56 120.40 110.17 1smr s VAL 247 Ca 0.31 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 1smr s VAL 247 Cb 0.07 -2.30 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 1smr s VAL 247 CO 0.07 -0.34 1.30 -0.55 -0.31 0.00 0.00 175.10 175.27 1smr s SER 248 N -3.27 6.94 0.67 4.85 0.15 -1.26 -0.71 113.70 121.06 1smr s SER 248 Ca 0.28 2.23 0.29 0.00 0.70 0.00 0.00 55.95 59.45 1smr s SER 248 Cb 0.06 -2.59 1.60 0.00 -1.71 0.00 0.00 66.02 63.38 1smr s SER 248 CO 0.08 -0.55 1.90 0.00 1.20 0.00 0.00 173.24 175.86 1smr h SER 250 N 0.00 0.31 1.39 0.00 4.64 -1.89 -3.18 113.55 114.83 1smr h SER 250 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1smr h SER 250 Cb 0.70 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1smr h SER 250 CO -0.00 0.57 -0.04 0.00 -0.87 0.00 0.00 176.83 176.49 1smr n GLN 251 N -4.15 0.24 -0.28 4.77 1.13 -0.65 -4.29 117.38 114.15 1smr n GLN 251 Ca -0.01 0.18 0.09 0.00 -1.94 0.00 0.00 57.00 55.33 1smr n GLN 251 Cb 0.37 -1.76 0.23 0.00 0.11 0.00 0.00 30.24 29.19 1smr n GLN 251 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1smr h VAL 252 N 0.00 0.40 0.00 5.09 2.07 -1.68 0.40 116.25 122.52 1smr h VAL 252 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1smr h VAL 252 Cb 0.71 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1smr h VAL 252 CO 0.00 0.04 -0.18 -0.65 0.02 0.00 0.00 177.57 176.80 1smr h PRO 253 N 0.23 0.00 -0.54 1.57 0.11 -1.85 -2.62 132.00 128.90 1smr h PRO 253 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1smr h PRO 253 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1smr h PRO 253 CO -0.60 0.18 0.00 0.25 -0.21 0.00 0.00 178.00 177.62 1smr n THR 254 N -3.61 1.39 -2.53 -1.15 -2.24 0.13 -4.97 114.28 101.31 1smr n THR 254 Ca -0.01 -1.15 -0.36 0.00 -2.27 0.00 0.00 64.05 60.26 1smr n THR 254 Cb 0.31 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1smr n THR 254 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1smr s LEU 255 N -1.44 4.02 0.88 3.22 1.43 -0.79 -5.03 118.68 120.97 1smr s LEU 255 Ca 0.41 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 1smr s LEU 255 Cb 0.25 -4.33 0.12 0.00 0.03 0.00 0.00 46.19 42.26 1smr s LEU 255 CO 0.23 -0.63 1.15 -2.16 0.23 0.00 0.00 176.35 175.16 1smr s PRO 256 N -2.79 1.39 0.53 1.29 0.04 -1.26 -4.53 135.00 129.67 1smr s PRO 256 Ca 0.62 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 1smr s PRO 256 Cb -0.20 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1smr s PRO 256 CO 0.25 -2.02 1.00 -0.51 0.04 0.00 0.00 177.00 175.76 1smr s ASP 257 N -4.16 6.45 -0.07 6.66 1.11 -1.26 -4.12 116.67 121.27 1smr s ASP 257 Ca 0.63 1.63 0.05 0.00 0.18 0.00 0.00 52.55 55.05 1smr s ASP 257 Cb -0.14 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.33 1smr s ASP 257 CO 0.52 -0.71 -0.24 -0.63 1.18 0.00 0.00 175.17 175.29 1smr s ILE 258 N -2.56 2.02 -0.02 0.77 1.01 -0.35 0.84 121.20 122.92 1smr s ILE 258 Ca 0.60 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1smr s ILE 258 Cb -0.11 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1smr s ILE 258 CO 0.32 0.56 -0.22 -0.55 0.00 0.00 0.00 174.94 175.05 1smr s SER 259 N 0.06 2.53 -0.25 3.58 0.15 -0.06 -0.83 113.70 118.87 1smr s SER 259 Ca -0.10 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 1smr s SER 259 Cb -0.15 -0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1smr s SER 259 CO 0.06 0.26 0.01 -0.36 1.20 0.00 0.00 173.24 174.41 1smr s PHE 260 N -0.47 3.05 -0.53 3.44 0.08 -0.58 -0.72 117.98 122.26 1smr s PHE 260 Ca 0.07 -0.95 -0.23 0.00 0.12 0.00 0.00 56.93 55.95 1smr s PHE 260 Cb -0.09 -2.17 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1smr s PHE 260 CO -0.01 -0.55 0.83 1.21 -0.10 0.00 0.00 175.22 176.61 1smr s ASN 261 N 1.49 6.31 -0.18 1.36 3.84 0.14 -1.86 114.94 126.04 1smr s ASN 261 Ca 0.04 -0.48 -0.01 0.00 0.21 0.00 0.00 52.86 52.62 1smr s ASN 261 Cb -0.16 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1smr s ASN 261 CO -0.00 -1.09 -0.13 -0.76 -2.79 0.00 0.00 177.10 172.32 1smr s LEU 262 N 3.49 2.52 -1.37 3.21 1.43 -0.48 -1.98 118.68 125.50 1smr s LEU 262 Ca 0.26 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1smr s LEU 262 Cb -0.14 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1smr s LEU 262 CO 0.18 0.03 0.57 0.61 0.23 0.00 0.00 176.35 177.96 1smr n GLY 263 N 4.45 -0.26 4.31 -3.19 0.00 -1.26 -1.40 105.19 107.83 1smr n GLY 263 Ca -0.19 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1smr n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smr n GLY 264 N -1.77 1.97 3.93 -0.02 0.00 -1.26 -4.99 105.19 103.04 1smr n GLY 264 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1smr n GLY 264 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1smr s ARG 265 N 0.00 3.53 -0.18 1.61 3.52 -0.49 -5.07 118.95 121.86 1smr s ARG 265 Ca 0.00 -0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 1smr s ARG 265 Cb 0.00 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1smr s ARG 265 CO 0.00 0.30 0.32 0.00 -0.81 0.00 0.00 175.30 175.11 1smr s ALA 266 N -2.04 3.57 -0.41 6.12 0.00 -1.26 -1.38 121.76 126.36 1smr s ALA 266 Ca 0.40 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 1smr s ALA 266 Cb -0.10 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.61 1smr s ALA 266 CO 0.31 -0.07 0.24 0.71 0.00 0.00 0.00 175.76 176.95 1smr s TYR 267 N 0.81 3.33 -0.13 0.00 1.51 -0.78 -4.96 117.35 117.14 1smr s TYR 267 Ca 0.17 -1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 54.68 1smr s TYR 267 Cb -0.14 -2.89 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 1smr s TYR 267 CO 0.05 -0.83 -0.01 0.99 -1.11 0.00 0.00 175.55 174.64 1smr s THR 268 N 1.42 4.16 -0.13 -0.71 2.01 -1.26 -1.52 115.64 119.61 1smr s THR 268 Ca 0.03 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1smr s THR 268 Cb -0.23 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1smr s THR 268 CO 0.02 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.55 1smr s LEU 269 N -0.10 2.46 0.55 4.42 1.43 -0.01 -4.99 118.68 122.43 1smr s LEU 269 Ca 0.03 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1smr s LEU 269 Cb -0.13 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1smr s LEU 269 CO 0.02 0.13 0.81 -0.94 0.23 0.00 0.00 176.35 176.60 1smr s SER 270 N 0.55 5.51 0.59 2.29 1.04 -1.26 -1.21 113.70 121.21 1smr s SER 270 Ca -0.10 0.38 0.29 0.00 0.48 0.00 0.00 55.95 56.99 1smr s SER 270 Cb -0.16 -1.39 1.50 0.00 0.10 0.00 0.00 66.02 66.07 1smr s SER 270 CO 0.04 -1.02 1.92 0.77 0.98 0.00 0.00 173.24 175.92 1smr h SER 271 N 0.02 0.00 1.38 7.02 4.64 -1.80 0.38 113.55 125.20 1smr h SER 271 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1smr h SER 271 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1smr h SER 271 CO 0.58 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.25 1smr h THR 272 N 0.00 0.00 0.14 2.95 1.35 -1.88 -2.08 112.91 113.40 1smr h THR 272 Ca 0.19 -0.47 -0.32 0.00 -0.55 0.00 0.00 66.41 65.26 1smr h THR 272 Cb 1.08 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1smr h THR 272 CO -0.00 0.00 -1.58 0.44 -0.25 0.00 0.00 175.52 174.13 1smr h ASP 273 N 0.00 0.48 -0.02 5.36 3.32 -0.62 -3.39 116.42 121.55 1smr h ASP 273 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1smr h ASP 273 Cb 0.69 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1smr h ASP 273 CO 0.00 1.55 -0.39 0.00 -1.72 0.00 0.00 179.24 178.68 1smr n TYR 274 N -3.50 0.00 -4.47 4.55 0.18 -0.89 -4.88 117.16 108.15 1smr n TYR 274 Ca -0.18 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.26 1smr n TYR 274 Cb 1.06 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.89 1smr n TYR 274 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1smr s VAL 275 N -2.39 3.75 -0.04 -3.48 1.01 -0.79 -0.46 120.40 117.99 1smr s VAL 275 Ca 0.20 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1smr s VAL 275 Cb 0.18 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1smr s VAL 275 CO 0.52 0.50 0.88 -0.76 0.00 0.00 0.00 175.10 176.25 1smr s LEU 276 N 0.32 4.33 -1.25 3.92 1.43 -0.14 -3.34 118.68 123.95 1smr s LEU 276 Ca -0.05 1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1smr s LEU 276 Cb -0.14 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1smr s LEU 276 CO 0.03 -0.24 1.07 0.00 0.23 0.00 0.00 176.35 177.45 1smr n GLN 277 N 4.05 -7.17 0.00 1.70 6.02 -1.26 -4.16 117.38 116.55 1smr n GLN 277 Ca 0.04 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1smr n GLN 277 Cb 0.51 -5.79 0.00 0.00 1.02 0.00 0.00 30.24 25.97 1smr n GLN 277 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1smr n ARG 278 N -4.50 0.00 0.00 -1.09 3.00 -1.21 -5.08 116.66 107.78 1smr n ARG 278 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.71 1smr n ARG 278 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1smr n ARG 278 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1smr n ASP 279 N 0.00 0.00 0.00 0.55 5.68 -1.26 -5.03 116.55 116.49 1smr n ASP 279 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1smr n ASP 279 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1smr n ASP 279 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1smr n LYS 280 N -0.56 0.00 -3.91 0.11 3.00 -1.26 -4.96 118.16 110.58 1smr n LYS 280 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1smr n LYS 280 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1smr n LYS 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1smr s LEU 281 N 0.00 3.92 -0.13 3.14 1.43 -1.26 0.41 118.68 126.19 1smr s LEU 281 Ca 0.00 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1smr s LEU 281 Cb 0.00 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1smr s LEU 281 CO 0.00 0.17 -0.16 0.00 0.23 0.00 0.00 176.35 176.59 1smr s THR 283 N 0.48 3.03 -0.08 0.00 2.01 -1.26 -0.53 115.64 119.28 1smr s THR 283 Ca -0.11 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1smr s THR 283 Cb -0.16 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1smr s THR 283 CO 0.05 0.02 1.04 -0.69 -0.69 0.00 0.00 174.62 174.35 1smr s VAL 284 N 1.85 4.69 -0.23 3.82 1.01 -0.47 -0.96 120.40 130.12 1smr s VAL 284 Ca 0.70 1.96 -0.05 0.00 0.00 0.00 0.00 61.98 64.60 1smr s VAL 284 Cb -0.40 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 1smr s VAL 284 CO 0.31 0.02 3.09 0.00 0.00 0.00 0.00 175.10 178.52 1smr n ALA 285 N 4.89 6.26 -2.85 5.51 0.00 0.39 -4.74 120.51 129.97 1smr n ALA 285 Ca 0.09 -2.31 -0.13 0.00 0.00 0.00 0.00 53.44 51.09 1smr n ALA 285 Cb 0.49 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 1smr n ALA 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1smr s LEU 286 N -1.10 2.11 0.27 0.00 1.02 -1.26 -2.40 118.68 117.32 1smr s LEU 286 Ca 0.59 -0.25 -0.15 0.00 0.02 0.00 0.00 54.13 54.34 1smr s LEU 286 Cb 0.33 -0.11 0.01 0.00 0.02 0.00 0.00 46.19 46.44 1smr s LEU 286 CO -0.10 -0.08 0.57 -1.38 0.02 0.00 0.00 176.35 175.38 1smr s HIS 287 N -0.62 0.23 0.14 0.29 -3.43 -0.10 -4.79 115.29 107.00 1smr s HIS 287 Ca -0.05 -0.63 -0.20 0.00 -0.80 0.00 0.00 55.06 53.38 1smr s HIS 287 Cb -0.05 0.37 -0.07 0.00 -1.43 0.00 0.00 32.58 31.40 1smr s HIS 287 CO -0.00 -1.12 0.65 0.00 -2.00 0.00 0.00 174.74 172.27 1smr s ALA 288 N -3.80 3.52 -0.26 -1.38 0.00 -1.26 -2.16 121.76 116.41 1smr s ALA 288 Ca 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1smr s ALA 288 Cb -0.03 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 20.50 1smr s ALA 288 CO 0.09 0.36 0.42 1.41 0.00 0.00 0.00 175.76 178.05 1smr s MET 289 N -1.40 0.40 -0.37 0.00 0.00 -0.14 -4.83 119.30 112.96 1smr s MET 289 Ca 0.35 0.49 -0.17 0.00 0.00 0.00 0.00 55.69 56.36 1smr s MET 289 Cb -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 34.83 34.36 1smr s MET 289 CO 0.21 -0.75 0.46 -0.51 0.00 0.00 0.00 175.02 174.43 1smr s ASP 290 N 2.59 6.25 -0.17 1.11 1.01 -1.26 -4.20 116.67 122.00 1smr s ASP 290 Ca 0.13 -0.24 -0.17 0.00 0.71 0.00 0.00 52.55 52.98 1smr s ASP 290 Cb -0.14 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1smr s ASP 290 CO -0.21 -0.47 0.45 -0.63 0.21 0.00 0.00 175.17 174.52 1smr s ILE 291 N 2.25 5.18 0.59 0.77 -1.09 -1.26 -5.06 121.20 122.57 1smr s ILE 291 Ca 0.15 0.84 -0.20 0.00 -2.23 0.00 0.00 60.65 59.22 1smr s ILE 291 Cb -0.16 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1smr s ILE 291 CO 0.13 0.26 1.27 -2.84 -1.23 0.00 0.00 174.94 172.53 1smr s PRO 292 N 1.13 2.95 0.67 2.79 0.02 -1.26 -3.42 135.00 137.89 1smr s PRO 292 Ca 0.22 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.09 1smr s PRO 292 Cb -0.15 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1smr s PRO 292 CO 0.09 -1.27 1.13 -2.14 -0.33 0.00 0.00 177.00 174.48 1smr s PRO 293 N -3.19 2.68 0.06 5.54 0.02 -1.25 -1.13 135.00 137.73 1smr s PRO 293 Ca 0.76 1.45 0.25 0.00 0.02 0.00 0.00 61.00 63.48 1smr s PRO 293 Cb -0.35 -1.93 1.01 0.00 0.02 0.00 0.00 34.50 33.25 1smr s PRO 293 CO 0.39 -1.36 1.79 -0.35 -0.33 0.00 0.00 177.00 177.14 1smr n PRO 294 N -2.48 0.06 -0.04 5.54 -0.04 -1.26 -4.76 135.00 132.02 1smr n PRO 294 Ca 0.11 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1smr n PRO 294 Cb 0.52 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1smr n PRO 294 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1smr h THR 295 N 0.00 1.38 -2.15 0.52 2.02 -1.82 -3.46 112.91 109.40 1smr h THR 295 Ca 0.00 -1.70 -0.44 0.00 0.77 0.00 0.00 66.41 65.03 1smr h THR 295 Cb 0.48 2.16 0.05 0.00 -1.74 0.00 0.00 68.15 69.10 1smr h THR 295 CO 0.00 0.51 -0.06 -0.83 0.37 0.00 0.00 175.52 175.51 1smr s GLY 296 N -3.79 1.83 0.23 2.16 0.00 -0.28 -4.62 107.32 102.84 1smr s GLY 296 Ca -0.13 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1smr s GLY 296 CO 0.80 -1.18 1.04 2.56 0.00 0.00 0.00 173.10 176.32 1smr s PRO 297 N -4.74 4.70 0.03 2.90 0.04 -1.25 -3.79 135.00 132.89 1smr s PRO 297 Ca 0.59 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1smr s PRO 297 Cb -0.09 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1smr s PRO 297 CO 0.38 0.28 0.23 0.14 0.04 0.00 0.00 177.00 178.07 1smr s VAL 298 N -0.89 0.09 0.37 -0.36 -7.23 -1.26 -4.77 120.40 106.35 1smr s VAL 298 Ca 0.45 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1smr s VAL 298 Cb -0.29 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 1smr s VAL 298 CO 0.36 -0.43 0.54 0.26 -0.31 0.00 0.00 175.10 175.53 1smr s TRP 299 N -2.28 3.24 -0.03 2.82 0.52 0.01 -4.34 118.94 118.88 1smr s TRP 299 Ca -0.07 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.10 1smr s TRP 299 Cb -0.02 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1smr s TRP 299 CO -0.02 -0.07 0.00 0.08 0.02 0.00 0.00 176.95 176.96 1smr s VAL 300 N -2.31 0.15 -0.62 4.03 1.01 0.38 -1.73 120.40 121.30 1smr s VAL 300 Ca 0.44 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1smr s VAL 300 Cb -0.10 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.12 1smr s VAL 300 CO 0.34 0.14 0.78 -0.76 0.00 0.00 0.00 175.10 175.60 1smr s LEU 301 N 1.07 5.18 0.00 3.92 1.43 -0.90 -1.08 118.68 128.31 1smr s LEU 301 Ca -0.09 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 1smr s LEU 301 Cb -0.13 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1smr s LEU 301 CO -0.02 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 175.99 1smr n GLY 302 N 5.28 2.21 0.43 -3.19 0.00 -1.08 -2.32 105.19 106.52 1smr n GLY 302 Ca -0.07 -2.01 0.25 0.00 0.00 0.00 0.00 46.02 44.19 1smr n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smr h ALA 303 N -0.89 2.45 -0.94 4.61 0.00 -0.83 -1.11 119.26 122.54 1smr h ALA 303 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1smr h ALA 303 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1smr h ALA 303 CO 0.00 -0.80 0.55 1.15 0.00 0.00 0.00 179.25 180.15 1smr h THR 304 N 0.29 0.78 0.06 0.00 2.02 -1.79 -1.95 112.91 112.31 1smr h THR 304 Ca 0.55 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 67.29 1smr h THR 304 Cb 1.60 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1smr h THR 304 CO -0.20 0.14 -0.88 0.15 0.37 0.00 0.00 175.52 175.11 1smr h PHE 305 N 0.78 0.24 0.00 3.16 3.57 -1.56 -3.38 116.94 119.75 1smr h PHE 305 Ca 0.51 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1smr h PHE 305 Cb 0.68 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1smr h PHE 305 CO -0.04 1.34 -0.18 0.82 -2.23 0.00 0.00 178.31 178.02 1smr h ILE 306 N -0.66 0.90 -0.70 1.41 2.04 -1.41 -2.44 117.51 116.65 1smr h ILE 306 Ca -0.20 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.05 1smr h ILE 306 Cb 1.43 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1smr h ILE 306 CO 0.00 0.18 0.39 0.03 0.00 0.00 0.00 178.15 178.74 1smr h ARG 307 N 0.00 0.68 0.10 2.37 3.08 -1.53 -2.99 114.38 116.09 1smr h ARG 307 Ca -0.00 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.72 1smr h ARG 307 Cb 0.37 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.29 1smr h ARG 307 CO 0.02 0.45 -1.20 -0.22 -1.07 0.00 0.00 179.97 177.95 1smr h LYS 308 N 0.70 0.56 -4.77 0.04 3.64 -1.65 -3.43 116.57 111.66 1smr h LYS 308 Ca 0.32 -0.74 -0.66 0.00 -1.27 0.00 0.00 60.65 58.30 1smr h LYS 308 Cb 0.22 0.24 -0.37 0.00 -0.41 0.00 0.00 32.23 31.91 1smr h LYS 308 CO -0.20 1.32 -0.80 -0.06 -2.27 0.00 0.00 179.45 177.45 1smr s PHE 309 N -3.00 3.07 0.09 1.91 0.08 -0.99 -1.86 117.98 117.27 1smr s PHE 309 Ca -0.08 -2.18 -0.34 0.00 0.12 0.00 0.00 56.93 54.45 1smr s PHE 309 Cb 0.06 -1.86 -0.13 0.00 -0.57 0.00 0.00 43.02 40.53 1smr s PHE 309 CO 0.92 -0.85 1.67 0.98 -0.10 0.00 0.00 175.22 177.84 1smr n TYR 310 N 4.49 2.30 -5.00 0.36 4.19 -0.43 -4.46 117.16 118.61 1smr n TYR 310 Ca -0.14 0.17 -0.31 0.00 3.31 0.00 0.00 57.90 60.94 1smr n TYR 310 Cb 0.43 -2.58 -0.17 0.00 0.49 0.00 0.00 39.34 37.50 1smr n TYR 310 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1smr s THR 311 N 1.87 1.90 -0.13 2.97 2.01 -0.87 -2.23 115.64 121.16 1smr s THR 311 Ca 0.83 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1smr s THR 311 Cb -0.68 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1smr s THR 311 CO 0.42 0.52 -0.07 -0.70 -0.69 0.00 0.00 174.62 174.10 1smr s GLU 312 N 0.50 3.38 -0.29 4.92 2.12 -0.08 -0.75 118.70 128.51 1smr s GLU 312 Ca -0.16 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.55 1smr s GLU 312 Cb -0.17 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.47 1smr s GLU 312 CO 0.06 0.34 0.05 -0.06 -0.54 0.00 0.00 175.26 175.11 1smr s PHE 313 N 0.08 3.14 -0.32 5.30 0.40 0.17 -1.71 117.98 125.04 1smr s PHE 313 Ca -0.02 -1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 55.15 1smr s PHE 313 Cb -0.14 -2.22 0.03 0.00 0.51 0.00 0.00 43.02 41.21 1smr s PHE 313 CO 0.03 -0.61 0.08 0.34 0.70 0.00 0.00 175.22 175.76 1smr s ASP 314 N 1.46 5.15 0.16 1.36 -1.08 -0.42 -2.34 116.67 120.97 1smr s ASP 314 Ca 0.02 -1.04 0.11 0.00 -0.52 0.00 0.00 52.55 51.12 1smr s ASP 314 Cb -0.17 -1.84 -0.11 0.00 -1.46 0.00 0.00 42.92 39.34 1smr s ASP 314 CO 0.01 -0.27 1.27 0.03 0.52 0.00 0.00 175.17 176.72 1smr h ARG 315 N 8.18 0.00 0.37 4.34 2.47 -1.55 -0.38 114.38 127.82 1smr h ARG 315 Ca -0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.45 1smr h ARG 315 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1smr h ARG 315 CO 0.59 0.74 -0.18 1.25 0.56 0.00 0.00 179.97 182.93 1smr h HIS 316 N 0.00 -0.46 -0.07 3.04 2.76 -1.91 -3.31 115.15 115.21 1smr h HIS 316 Ca -0.04 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1smr h HIS 316 Cb 1.64 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.75 1smr h HIS 316 CO 0.00 -0.14 0.00 0.09 -1.30 0.00 0.00 177.93 176.58 1smr n ASN 317 N -5.17 2.30 -3.56 3.26 4.13 -1.25 -5.00 115.26 109.97 1smr n ASN 317 Ca -0.10 -1.77 -0.26 0.00 1.68 0.00 0.00 54.58 54.14 1smr n ASN 317 Cb 0.28 -0.03 0.04 0.00 -1.54 0.00 0.00 39.78 38.53 1smr n ASN 317 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1smr n ASN 318 N 0.79 -5.75 -3.79 6.41 3.02 -0.17 -4.95 115.26 110.81 1smr n ASN 318 Ca 0.17 -0.89 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 1smr n ASN 318 Cb 0.48 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.85 1smr n ASN 318 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1smr s ARG 319 N -5.41 1.52 -0.09 3.52 1.70 -1.08 -2.54 118.95 116.58 1smr s ARG 319 Ca 0.41 -0.92 0.05 0.00 -0.47 0.00 0.00 55.73 54.79 1smr s ARG 319 Cb -0.13 0.55 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1smr s ARG 319 CO 0.83 -0.66 -0.24 0.42 -1.08 0.00 0.00 175.30 174.57 1smr s ILE 320 N -3.90 2.10 0.02 4.99 1.01 -0.58 -1.30 121.20 123.54 1smr s ILE 320 Ca 0.11 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1smr s ILE 320 Cb -0.02 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1smr s ILE 320 CO 0.01 0.56 -0.07 -0.83 0.00 0.00 0.00 174.94 174.61 1smr s GLY 321 N 0.16 1.76 -0.05 6.18 0.00 -0.69 -1.48 107.32 113.20 1smr s GLY 321 Ca -0.13 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.59 1smr s GLY 321 CO 0.07 -0.94 -0.25 -1.36 0.00 0.00 0.00 173.10 170.62 1smr s PHE 322 N -1.03 2.44 0.14 1.90 0.08 -0.54 -0.90 117.98 120.06 1smr s PHE 322 Ca 0.18 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1smr s PHE 322 Cb -0.11 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1smr s PHE 322 CO 0.09 -0.16 -0.03 0.00 -0.10 0.00 0.00 175.22 175.02 1smr s ALA 323 N -0.27 1.15 0.11 5.36 0.00 -0.95 -1.35 121.76 125.81 1smr s ALA 323 Ca -0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.18 1smr s ALA 323 Cb -0.13 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 1smr s ALA 323 CO 0.03 -0.29 1.15 -0.51 0.00 0.00 0.00 175.76 176.14 1smr s LEU 324 N -3.11 4.42 0.40 0.00 1.43 -1.23 -1.31 118.68 119.28 1smr s LEU 324 Ca 0.18 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.19 1smr s LEU 324 Cb 0.06 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 1smr s LEU 324 CO -0.00 -0.36 0.82 0.00 0.23 0.00 0.00 176.35 177.03 1smr s ALA 325 N 0.48 3.26 0.00 4.21 0.00 -0.78 -0.72 121.76 128.21 1smr s ALA 325 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1smr s ALA 325 Cb -0.29 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1smr s ALA 325 CO 0.32 0.06 0.00 2.89 0.00 0.00 0.00 175.76 179.03