#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfr s PHE 1 N 0.00 3.41 0.22 0.00 0.08 -1.26 -0.32 117.98 120.11 1sfr s PHE 1 Ca 0.00 1.65 -0.02 0.00 0.12 0.00 0.00 56.93 58.68 1sfr s PHE 1 Cb 0.00 -3.29 0.21 0.00 -0.57 0.00 0.00 43.02 39.36 1sfr s PHE 1 CO 0.00 -0.75 1.60 0.77 -0.10 0.00 0.00 175.22 176.73 1sfr h SER 2 N 3.36 0.64 -4.24 1.36 0.02 -1.23 -3.46 113.55 110.00 1sfr h SER 2 Ca -0.47 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.10 1sfr h SER 2 Cb 1.22 -0.18 -0.22 0.00 0.14 0.00 0.00 62.40 63.36 1sfr h SER 2 CO 0.65 0.95 -0.13 -0.13 -1.14 0.00 0.00 176.83 177.03 1sfr s ARG 3 N -4.32 0.64 0.24 3.45 0.52 -1.26 -5.08 118.95 113.14 1sfr s ARG 3 Ca -0.08 0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 55.45 1sfr s ARG 3 Cb 0.12 0.31 0.31 0.00 0.52 0.00 0.00 34.95 36.21 1sfr s ARG 3 CO 0.83 -0.12 1.52 -2.30 0.02 0.00 0.00 175.30 175.25 1sfr n PRO 4 N 2.30 -0.18 -0.04 3.54 -0.02 -1.26 -2.68 135.00 136.66 1sfr n PRO 4 Ca -0.16 1.51 -0.12 0.00 -2.02 0.00 0.00 63.50 62.71 1sfr n PRO 4 Cb 0.57 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1sfr n PRO 4 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1sfr h GLY 5 N 0.00 0.24 -1.53 -1.23 0.00 -2.01 -3.46 103.07 95.08 1sfr h GLY 5 Ca 0.39 -0.21 -0.50 0.00 0.00 0.00 0.00 47.33 47.01 1sfr h GLY 5 CO -0.98 0.19 0.35 1.08 0.00 0.00 0.00 176.54 177.18 1sfr s LEU 6 N -9.36 3.35 0.00 3.11 1.43 -1.09 -5.01 118.68 111.09 1sfr s LEU 6 Ca -0.14 1.34 0.27 0.00 -1.03 0.00 0.00 54.13 54.57 1sfr s LEU 6 Cb 0.05 -4.36 1.10 0.00 0.03 0.00 0.00 46.19 43.01 1sfr s LEU 6 CO 0.71 -0.79 1.77 -0.81 0.23 0.00 0.00 176.35 177.47 1sfr n PRO 7 N -2.54 1.59 -2.40 1.29 -0.04 -1.26 -4.66 135.00 126.98 1sfr n PRO 7 Ca 0.05 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 62.22 1sfr n PRO 7 Cb 0.54 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1sfr n PRO 7 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sfr s VAL 8 N -1.97 3.91 0.27 0.52 1.01 -1.26 -4.48 120.40 118.39 1sfr s VAL 8 Ca 0.38 1.41 0.12 0.00 0.00 0.00 0.00 61.98 63.89 1sfr s VAL 8 Cb 0.21 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1sfr s VAL 8 CO 0.33 0.13 -0.18 -1.61 0.00 0.00 0.00 175.10 173.77 1sfr s GLU 9 N 0.81 1.73 -0.16 2.72 2.02 0.31 -0.70 118.70 125.43 1sfr s GLU 9 Ca 0.58 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1sfr s GLU 9 Cb -0.30 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1sfr s GLU 9 CO 0.31 0.34 -0.13 1.52 0.02 0.00 0.00 175.26 177.32 1sfr s TYR 10 N -2.40 2.23 0.17 1.61 -0.85 0.57 -0.57 117.35 118.12 1sfr s TYR 10 Ca 0.29 -1.32 0.08 0.00 -0.52 0.00 0.00 57.07 55.60 1sfr s TYR 10 Cb -0.05 -1.61 -0.04 0.00 0.38 0.00 0.00 41.96 40.64 1sfr s TYR 10 CO 0.15 -0.69 -0.05 -0.51 -1.52 0.00 0.00 175.55 172.93 1sfr s LEU 11 N 1.46 3.16 -0.43 -3.49 1.43 0.11 -2.44 118.68 118.48 1sfr s LEU 11 Ca 0.03 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1sfr s LEU 11 Cb -0.14 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.36 1sfr s LEU 11 CO -0.10 0.11 0.22 -1.10 0.23 0.00 0.00 176.35 175.71 1sfr s GLN 12 N -2.80 2.04 -0.24 1.70 -1.52 -1.26 -0.78 119.66 116.80 1sfr s GLN 12 Ca 0.26 -1.90 -0.14 0.00 -1.95 0.00 0.00 55.36 51.62 1sfr s GLN 12 Cb -0.09 -3.59 -0.04 0.00 -0.22 0.00 0.00 33.01 29.07 1sfr s GLN 12 CO 0.17 -1.08 0.33 0.08 -0.25 0.00 0.00 175.29 174.53 1sfr s VAL 13 N 1.00 5.23 0.24 1.09 1.01 0.28 -4.84 120.40 124.41 1sfr s VAL 13 Ca 0.09 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1sfr s VAL 13 Cb -0.22 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1sfr s VAL 13 CO -0.04 0.24 1.63 -2.16 0.00 0.00 0.00 175.10 174.77 1sfr s PRO 14 N 1.56 4.15 -0.44 2.72 0.04 -1.26 -0.06 135.00 141.71 1sfr s PRO 14 Ca 0.14 2.54 0.03 0.00 0.04 0.00 0.00 61.00 63.75 1sfr s PRO 14 Cb -0.15 -3.07 0.12 0.00 0.04 0.00 0.00 34.50 31.44 1sfr s PRO 14 CO 0.08 -0.66 0.19 0.45 0.04 0.00 0.00 177.00 177.10 1sfr s SER 15 N 0.86 4.23 0.24 6.66 0.15 -0.60 -4.85 113.70 120.39 1sfr s SER 15 Ca 0.69 -2.59 -0.04 0.00 0.70 0.00 0.00 55.95 54.70 1sfr s SER 15 Cb -0.48 -1.42 0.41 0.00 -1.71 0.00 0.00 66.02 62.83 1sfr s SER 15 CO 0.39 -0.29 1.78 -0.65 1.20 0.00 0.00 173.24 175.67 1sfr h PRO 16 N 6.96 0.65 0.00 5.44 0.11 -1.94 -0.54 132.00 142.68 1sfr h PRO 16 Ca -0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1sfr h PRO 16 Cb 0.94 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1sfr h PRO 16 CO 0.58 0.43 -0.06 0.66 -0.21 0.00 0.00 178.00 179.40 1sfr h SER 17 N 0.67 0.00 -0.01 -2.05 4.64 -1.94 -2.76 113.55 112.09 1sfr h SER 17 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1sfr h SER 17 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1sfr h SER 17 CO -0.29 0.06 -0.46 0.23 -0.87 0.00 0.00 176.83 175.50 1sfr n MET 18 N -4.46 1.48 -1.39 4.77 2.81 -0.77 -4.83 117.12 114.73 1sfr n MET 18 Ca -0.03 -0.72 -0.10 0.00 -1.81 0.00 0.00 57.70 55.04 1sfr n MET 18 Cb 0.14 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 1sfr n MET 18 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sfr n GLY 19 N 1.27 1.01 3.74 3.03 0.00 -0.28 -4.53 105.19 109.44 1sfr n GLY 19 Ca 0.07 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1sfr n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sfr s ARG 20 N -3.03 1.98 -0.00 1.61 1.70 -1.20 -5.03 118.95 114.99 1sfr s ARG 20 Ca 0.00 -1.35 -0.19 0.00 -0.47 0.00 0.00 55.73 53.72 1sfr s ARG 20 Cb 0.00 0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 1sfr s ARG 20 CO 0.00 -0.90 0.54 -0.51 -1.08 0.00 0.00 175.30 173.36 1sfr s ASP 21 N -3.05 6.93 -0.21 -2.89 1.01 -1.26 -1.56 116.67 115.64 1sfr s ASP 21 Ca 0.18 1.11 -0.08 0.00 0.71 0.00 0.00 52.55 54.46 1sfr s ASP 21 Cb -0.04 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1sfr s ASP 21 CO 0.11 0.16 0.09 -0.63 0.21 0.00 0.00 175.17 175.12 1sfr s ILE 22 N -0.43 4.88 0.19 0.77 -1.09 0.91 -4.84 121.20 121.59 1sfr s ILE 22 Ca 0.29 0.01 -0.30 0.00 -2.23 0.00 0.00 60.65 58.42 1sfr s ILE 22 Cb -0.18 -3.24 -0.08 0.00 -1.58 0.00 0.00 42.46 37.39 1sfr s ILE 22 CO 0.16 0.41 1.13 -0.75 -1.23 0.00 0.00 174.94 174.66 1sfr s LYS 23 N 0.78 4.56 -0.02 2.79 2.20 -1.26 -0.55 119.74 128.23 1sfr s LYS 23 Ca 0.05 1.77 0.01 0.00 -0.36 0.00 0.00 55.97 57.44 1sfr s LYS 23 Cb -0.13 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1sfr s LYS 23 CO 0.02 0.03 -0.02 0.08 -0.36 0.00 0.00 175.35 175.10 1sfr s VAL 24 N -0.25 0.30 -0.02 4.02 1.01 0.04 -0.18 120.40 125.33 1sfr s VAL 24 Ca 0.50 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 1sfr s VAL 24 Cb -0.31 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1sfr s VAL 24 CO 0.36 0.15 0.51 -1.10 0.00 0.00 0.00 175.10 175.02 1sfr s GLN 25 N 0.66 4.21 -0.00 2.72 -0.21 0.13 0.08 119.66 127.24 1sfr s GLN 25 Ca -0.07 0.58 -0.05 0.00 0.02 0.00 0.00 55.36 55.84 1sfr s GLN 25 Cb -0.10 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.58 1sfr s GLN 25 CO -0.01 0.44 0.09 0.12 -2.12 0.00 0.00 175.29 173.81 1sfr s PHE 26 N -0.35 0.06 -0.17 0.91 5.36 0.27 -0.70 117.98 123.36 1sfr s PHE 26 Ca 0.27 -0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.07 1sfr s PHE 26 Cb -0.17 -0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.53 1sfr s PHE 26 CO 0.15 -0.22 0.24 -1.14 -1.46 0.00 0.00 175.22 172.78 1sfr s GLN 27 N -1.11 0.17 0.42 10.12 0.74 -0.91 0.12 119.66 129.21 1sfr s GLN 27 Ca -0.12 0.42 -0.25 0.00 0.05 0.00 0.00 55.36 55.47 1sfr s GLN 27 Cb -0.07 -0.71 -0.08 0.00 1.10 0.00 0.00 33.01 33.25 1sfr s GLN 27 CO 0.01 -0.51 1.24 0.45 -0.55 0.00 0.00 175.29 175.92 1sfr s SER 28 N 2.36 6.28 -0.06 6.67 0.15 -1.26 -1.00 113.70 126.85 1sfr s SER 28 Ca 0.05 2.49 0.12 0.00 0.70 0.00 0.00 55.95 59.32 1sfr s SER 28 Cb -0.14 -2.62 0.37 0.00 -1.71 0.00 0.00 66.02 61.91 1sfr s SER 28 CO -0.11 -0.86 1.30 0.61 1.20 0.00 0.00 173.24 175.39 1sfr n GLY 29 N 0.63 3.18 0.00 9.45 0.00 -1.26 -4.79 105.19 112.40 1sfr n GLY 29 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1sfr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 30 N 0.16 2.73 3.68 -0.02 0.00 -1.26 -4.22 105.19 106.26 1sfr n GLY 30 Ca 0.14 -1.95 -0.46 0.00 0.00 0.00 0.00 46.02 43.75 1sfr n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr n ALA 31 N 0.39 1.42 -3.28 4.61 0.00 -1.26 -1.64 120.51 120.75 1sfr n ALA 31 Ca 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 1sfr n ALA 31 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 19.45 17.05 1sfr n ALA 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sfr n ASN 32 N 4.57 -5.33 -4.88 0.00 2.85 0.12 -4.99 115.26 107.60 1sfr n ASN 32 Ca 0.18 -0.40 -0.30 0.00 -0.11 0.00 0.00 54.58 53.96 1sfr n ASN 32 Cb 0.30 -4.31 -0.03 0.00 1.24 0.00 0.00 39.78 36.98 1sfr n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1sfr s SER 33 N -2.84 6.51 0.67 1.20 1.04 -0.65 -4.49 113.70 115.14 1sfr s SER 33 Ca 0.40 1.03 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 1sfr s SER 33 Cb -0.19 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1sfr s SER 33 CO 0.50 -0.34 1.20 -2.84 0.98 0.00 0.00 173.24 172.74 1sfr s PRO 34 N -3.73 2.52 0.07 4.02 0.02 -1.26 -2.07 135.00 134.57 1sfr s PRO 34 Ca 0.49 1.77 0.02 0.00 0.02 0.00 0.00 61.00 63.30 1sfr s PRO 34 Cb -0.10 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1sfr s PRO 34 CO 0.30 -1.55 0.15 0.00 -0.33 0.00 0.00 177.00 175.58 1sfr s ALA 35 N -1.84 3.80 -0.28 -1.55 0.00 -1.26 -1.06 121.76 119.56 1sfr s ALA 35 Ca 0.75 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1sfr s ALA 35 Cb -0.29 -1.64 0.08 0.00 0.00 0.00 0.00 23.12 21.27 1sfr s ALA 35 CO 0.40 0.78 0.03 -1.17 0.00 0.00 0.00 175.76 175.79 1sfr s LEU 36 N -2.50 2.94 -0.09 0.00 2.96 0.87 -1.11 118.68 121.75 1sfr s LEU 36 Ca 0.32 -1.55 -0.23 0.00 -0.22 0.00 0.00 54.13 52.45 1sfr s LEU 36 Cb -0.12 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1sfr s LEU 36 CO 0.25 -0.33 0.70 -0.31 -1.32 0.00 0.00 176.35 175.34 1sfr s TYR 37 N 1.37 3.54 -0.28 5.38 1.51 0.85 -0.85 117.35 128.87 1sfr s TYR 37 Ca 0.04 1.21 -0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1sfr s TYR 37 Cb -0.18 -2.82 0.04 0.00 -0.11 0.00 0.00 41.96 38.89 1sfr s TYR 37 CO -0.13 0.04 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.82 1sfr s LEU 38 N 1.01 3.69 0.05 -1.29 1.43 0.08 -0.47 118.68 123.18 1sfr s LEU 38 Ca 0.36 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 1sfr s LEU 38 Cb -0.17 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 1sfr s LEU 38 CO 0.17 -0.22 0.50 -0.76 0.23 0.00 0.00 176.35 176.27 1sfr s LEU 39 N 1.27 4.49 0.84 1.79 1.43 0.41 -4.20 118.68 124.72 1sfr s LEU 39 Ca -0.04 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 1sfr s LEU 39 Cb -0.19 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.33 1sfr s LEU 39 CO -0.02 0.28 1.20 -0.62 0.23 0.00 0.00 176.35 177.41 1sfr s ASP 40 N -1.16 4.15 0.83 2.29 3.68 -1.26 -4.02 116.67 121.17 1sfr s ASP 40 Ca 0.28 0.58 -0.04 0.00 2.13 0.00 0.00 52.55 55.50 1sfr s ASP 40 Cb -0.18 -0.96 0.07 0.00 -1.45 0.00 0.00 42.92 40.40 1sfr s ASP 40 CO 0.17 -2.10 0.42 0.61 0.13 0.00 0.00 175.17 174.39 1sfr n GLY 41 N -3.39 -0.57 0.26 2.66 0.00 -1.26 -4.06 105.19 98.84 1sfr n GLY 41 Ca 0.10 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.38 1sfr n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sfr h LEU 42 N 0.00 0.04 -4.77 0.99 5.85 -1.95 -2.72 115.31 112.75 1sfr h LEU 42 Ca -0.14 0.13 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1sfr h LEU 42 Cb 0.41 0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.38 1sfr h LEU 42 CO 0.11 -0.01 0.78 0.54 -0.34 0.00 0.00 178.44 179.52 1sfr n ARG 43 N -5.13 2.59 -1.82 1.25 1.74 -1.26 -1.08 116.66 112.95 1sfr n ARG 43 Ca 0.13 -3.00 -0.42 0.00 -0.77 0.00 0.00 57.85 53.78 1sfr n ARG 43 Cb 0.42 -2.21 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1sfr n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sfr s ALA 44 N -3.06 3.86 0.45 7.54 0.00 -1.03 -4.99 121.76 124.53 1sfr s ALA 44 Ca 0.55 1.48 0.01 0.00 0.00 0.00 0.00 51.96 54.00 1sfr s ALA 44 Cb 0.42 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1sfr s ALA 44 CO -0.33 -0.88 0.66 -0.65 0.00 0.00 0.00 175.76 174.57 1sfr s GLN 45 N 1.25 2.99 0.00 0.00 -0.21 -1.26 -3.86 119.66 118.56 1sfr s GLN 45 Ca 0.73 -0.60 0.26 0.00 0.02 0.00 0.00 55.36 55.77 1sfr s GLN 45 Cb -0.47 -2.58 0.97 0.00 1.00 0.00 0.00 33.01 31.93 1sfr s GLN 45 CO 0.32 -0.30 1.70 -0.25 -2.12 0.00 0.00 175.29 174.63 1sfr n ASP 46 N -2.07 1.57 -0.12 5.90 8.00 -1.26 -1.86 116.55 126.72 1sfr n ASP 46 Ca 0.02 -1.55 -0.20 0.00 0.71 0.00 0.00 54.79 53.77 1sfr n ASP 46 Cb 0.58 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 1sfr n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sfr n ASP 47 N 0.23 2.03 -3.81 -2.24 3.85 -1.26 -4.82 116.55 110.53 1sfr n ASP 47 Ca 0.18 0.04 -0.10 0.00 -0.71 0.00 0.00 54.79 54.20 1sfr n ASP 47 Cb 0.36 -0.51 -0.08 0.00 -1.35 0.00 0.00 41.12 39.54 1sfr n ASP 47 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1sfr s PHE 48 N -2.46 0.01 0.27 2.11 0.40 -1.26 -5.06 117.98 111.99 1sfr s PHE 48 Ca -0.33 -0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 1sfr s PHE 48 Cb 0.10 0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.56 1sfr s PHE 48 CO 0.50 -0.49 1.04 0.45 0.70 0.00 0.00 175.22 177.41 1sfr s SER 49 N -2.29 7.41 0.59 1.36 0.15 -1.26 -4.27 113.70 115.39 1sfr s SER 49 Ca -0.02 2.14 0.29 0.00 0.70 0.00 0.00 55.95 59.05 1sfr s SER 49 Cb 0.00 -2.62 1.59 0.00 -1.71 0.00 0.00 66.02 63.29 1sfr s SER 49 CO -0.06 -0.03 2.03 1.23 1.20 0.00 0.00 173.24 177.61 1sfr h GLY 50 N 3.92 0.00 1.71 9.45 0.00 -1.93 0.10 103.07 116.32 1sfr h GLY 50 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1sfr h GLY 50 CO 0.67 0.00 -0.02 1.49 0.00 0.00 0.00 176.54 178.68 1sfr h TRP 51 N 0.00 0.38 0.00 5.60 4.06 -1.93 -0.09 115.95 123.97 1sfr h TRP 51 Ca 0.13 -0.03 -0.29 0.00 2.06 0.00 0.00 58.89 60.76 1sfr h TRP 51 Cb 0.73 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.72 1sfr h TRP 51 CO 0.00 0.40 -1.71 -3.47 -3.56 0.00 0.00 178.44 170.09 1sfr n ASP 52 N -4.32 0.89 -0.03 -3.49 2.03 0.27 -2.53 116.55 109.36 1sfr n ASP 52 Ca 0.00 0.41 -0.06 0.00 0.52 0.00 0.00 54.79 55.67 1sfr n ASP 52 Cb 0.22 -0.07 0.13 0.00 -0.72 0.00 0.00 41.12 40.68 1sfr n ASP 52 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sfr h ILE 53 N 0.00 1.28 -0.00 5.18 2.04 -1.04 -3.35 117.51 121.60 1sfr h ILE 53 Ca -0.29 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1sfr h ILE 53 Cb 2.02 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1sfr h ILE 53 CO 0.08 0.44 -0.02 0.59 0.00 0.00 0.00 178.15 179.24 1sfr n ASN 54 N -4.10 1.20 -4.07 1.72 3.02 -0.07 -5.06 115.26 107.90 1sfr n ASN 54 Ca -0.00 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.36 1sfr n ASN 54 Cb 0.44 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.63 1sfr n ASN 54 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sfr s THR 55 N -0.44 0.13 -0.45 3.41 -4.23 -1.05 -4.83 115.64 108.17 1sfr s THR 55 Ca 0.04 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1sfr s THR 55 Cb 0.03 -1.81 0.38 0.00 1.34 0.00 0.00 72.50 72.44 1sfr s THR 55 CO 0.06 -0.58 1.27 -2.65 -0.54 0.00 0.00 174.62 172.18 1sfr n PRO 56 N -0.06 2.40 -0.33 3.99 -0.02 -1.26 -4.53 135.00 135.18 1sfr n PRO 56 Ca -0.09 -1.56 -0.03 0.00 -2.02 0.00 0.00 63.50 59.81 1sfr n PRO 56 Cb 0.63 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.35 1sfr n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfr n ALA 57 N 0.04 -0.21 -0.12 3.55 0.00 -1.26 -0.70 120.51 121.81 1sfr n ALA 57 Ca 0.21 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.37 1sfr n ALA 57 Cb 0.89 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1sfr n ALA 57 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sfr h PHE 58 N 0.00 0.52 0.09 0.00 0.04 -1.88 -2.08 116.94 113.63 1sfr h PHE 58 Ca 0.25 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1sfr h PHE 58 Cb 0.46 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 1sfr h PHE 58 CO -0.77 0.39 -0.06 1.49 -0.60 0.00 0.00 178.31 178.77 1sfr h GLU 59 N 0.49 -0.14 -0.56 1.51 4.81 -1.42 -1.17 114.58 118.10 1sfr h GLU 59 Ca 0.13 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1sfr h GLU 59 Cb 0.04 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1sfr h GLU 59 CO -0.02 -0.09 0.37 -1.49 -0.73 0.00 0.00 179.01 177.05 1sfr h TRP 60 N -0.14 0.52 -0.01 0.92 6.55 -0.80 -2.67 115.95 120.30 1sfr h TRP 60 Ca -0.01 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1sfr h TRP 60 Cb 0.12 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1sfr h TRP 60 CO -0.08 0.28 -0.32 0.66 -1.05 0.00 0.00 178.44 177.93 1sfr n TYR 61 N -4.47 0.00 -1.72 0.49 4.02 -0.79 -4.88 117.16 109.80 1sfr n TYR 61 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 1sfr n TYR 61 Cb 0.24 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1sfr n TYR 61 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1sfr n ASP 62 N -0.25 3.65 -2.30 7.72 4.64 -0.47 -1.96 116.55 127.59 1sfr n ASP 62 Ca 0.12 1.13 -0.19 0.00 -1.38 0.00 0.00 54.79 54.46 1sfr n ASP 62 Cb 0.41 -1.55 -0.00 0.00 -1.04 0.00 0.00 41.12 38.93 1sfr n ASP 62 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sfr n GLN 63 N 2.54 -2.05 0.00 -0.67 6.02 -1.26 -4.87 117.38 117.09 1sfr n GLN 63 Ca 0.11 0.92 0.11 0.00 -0.01 0.00 0.00 57.00 58.12 1sfr n GLN 63 Cb 0.35 -5.51 -0.04 0.00 1.02 0.00 0.00 30.24 26.06 1sfr n GLN 63 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1sfr n SER 64 N -1.76 1.53 0.00 1.08 3.41 -0.83 -2.40 113.62 114.65 1sfr n SER 64 Ca -0.21 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1sfr n SER 64 Cb 0.66 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 1sfr n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfr n GLY 65 N 1.46 0.70 3.31 5.00 0.00 -1.26 -3.63 105.19 110.76 1sfr n GLY 65 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1sfr n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfr s LEU 66 N 0.00 2.38 -0.11 0.99 1.43 -1.26 -4.03 118.68 118.08 1sfr s LEU 66 Ca 0.00 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1sfr s LEU 66 Cb 0.00 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1sfr s LEU 66 CO 0.00 0.19 0.79 -0.44 0.23 0.00 0.00 176.35 177.12 1sfr s SER 67 N 0.16 7.00 -0.23 2.29 0.01 -0.23 -3.99 113.70 118.72 1sfr s SER 67 Ca -0.11 1.22 -0.14 0.00 1.31 0.00 0.00 55.95 58.23 1sfr s SER 67 Cb -0.16 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1sfr s SER 67 CO 0.06 -0.27 0.34 -0.69 0.41 0.00 0.00 173.24 173.09 1sfr s VAL 68 N 1.51 5.23 -0.22 3.43 1.01 -0.17 -0.09 120.40 131.09 1sfr s VAL 68 Ca 0.39 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 1sfr s VAL 68 Cb -0.17 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1sfr s VAL 68 CO 0.16 0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 1sfr s VAL 69 N 1.48 2.50 -0.50 2.92 1.01 -0.03 -2.13 120.40 125.65 1sfr s VAL 69 Ca 0.15 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1sfr s VAL 69 Cb -0.15 -2.21 0.13 0.00 0.00 0.00 0.00 36.38 34.15 1sfr s VAL 69 CO 0.08 0.31 0.24 -0.04 0.00 0.00 0.00 175.10 175.69 1sfr s MET 70 N 1.29 1.93 0.55 2.72 -1.94 0.12 -0.75 119.30 123.23 1sfr s MET 70 Ca 0.01 -2.55 -0.21 0.00 -1.71 0.00 0.00 55.69 51.23 1sfr s MET 70 Cb -0.16 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.32 1sfr s MET 70 CO -0.08 -1.09 1.31 -1.25 -0.01 0.00 0.00 175.02 173.90 1sfr s PRO 71 N -0.17 3.15 -0.11 2.03 0.04 -1.26 -0.69 135.00 138.00 1sfr s PRO 71 Ca 0.16 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 1sfr s PRO 71 Cb -0.25 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1sfr s PRO 71 CO -0.01 -1.14 -0.09 0.08 0.04 0.00 0.00 177.00 175.88 1sfr s VAL 72 N -1.37 3.49 0.00 -0.36 1.01 0.75 -4.70 120.40 119.21 1sfr s VAL 72 Ca 0.72 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1sfr s VAL 72 Cb -0.37 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1sfr s VAL 72 CO 0.44 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.69 1sfr n GLY 73 N 2.98 -2.17 0.88 4.51 0.00 -0.78 -4.40 105.19 106.22 1sfr n GLY 73 Ca -0.18 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1sfr n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 74 N -0.04 0.84 3.67 -0.02 0.00 -1.26 -4.84 105.19 103.53 1sfr n GLY 74 Ca 0.00 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 1sfr n GLY 74 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sfr n GLN 75 N -0.41 2.08 -1.16 1.61 7.27 -1.25 -1.30 117.38 124.23 1sfr n GLN 75 Ca 0.00 0.74 -0.05 0.00 0.07 0.00 0.00 57.00 57.76 1sfr n GLN 75 Cb 0.32 -2.44 -0.02 0.00 2.41 0.00 0.00 30.24 30.51 1sfr n GLN 75 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1sfr n SER 76 N 2.49 -5.73 0.15 1.69 7.64 -0.24 -4.84 113.62 114.77 1sfr n SER 76 Ca 0.13 0.13 0.01 0.00 1.01 0.00 0.00 58.87 60.15 1sfr n SER 76 Cb 0.31 -3.71 0.20 0.00 -1.01 0.00 0.00 64.21 60.00 1sfr n SER 76 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1sfr h SER 77 N 0.00 0.00 -0.67 6.43 4.64 -1.49 -3.46 113.55 119.00 1sfr h SER 77 Ca -0.11 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.92 1sfr h SER 77 Cb 1.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.02 1sfr h SER 77 CO 0.16 0.56 -0.26 0.49 -0.87 0.00 0.00 176.83 176.91 1sfr n PHE 78 N -3.69 0.00 -4.01 4.77 3.01 -1.26 -2.46 117.46 113.82 1sfr n PHE 78 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1sfr n PHE 78 Cb 0.60 -2.83 -0.01 0.00 -0.01 0.00 0.00 39.48 37.24 1sfr n PHE 78 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1sfr n TYR 79 N -2.37 -1.80 -4.63 1.38 4.01 -1.26 -4.74 117.16 107.74 1sfr n TYR 79 Ca -0.14 0.80 -0.29 0.00 -0.16 0.00 0.00 57.90 58.11 1sfr n TYR 79 Cb 0.57 -3.60 -0.09 0.00 -0.31 0.00 0.00 39.34 35.91 1sfr n TYR 79 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sfr s SER 80 N -3.89 3.63 -0.35 7.72 0.15 -1.03 -3.42 113.70 116.51 1sfr s SER 80 Ca 0.33 -1.51 -0.14 0.00 0.70 0.00 0.00 55.95 55.33 1sfr s SER 80 Cb -0.17 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1sfr s SER 80 CO 0.88 -0.67 0.28 -1.81 1.20 0.00 0.00 173.24 173.12 1sfr s ASP 81 N -3.73 6.10 0.34 5.45 1.01 -1.26 -1.91 116.67 122.67 1sfr s ASP 81 Ca 0.23 -0.40 -0.24 0.00 0.71 0.00 0.00 52.55 52.86 1sfr s ASP 81 Cb 0.06 -2.16 -0.10 0.00 1.01 0.00 0.00 42.92 41.73 1sfr s ASP 81 CO 0.12 -0.28 0.92 0.26 0.21 0.00 0.00 175.17 176.39 1sfr s TRP 82 N 1.81 3.57 0.02 4.23 0.52 -0.50 -4.90 118.94 123.69 1sfr s TRP 82 Ca 0.08 1.67 -0.21 0.00 0.02 0.00 0.00 56.10 57.66 1sfr s TRP 82 Cb -0.17 -2.86 -0.16 0.00 -1.15 0.00 0.00 33.47 29.13 1sfr s TRP 82 CO 0.11 0.13 1.30 1.88 0.02 0.00 0.00 176.95 180.39 1sfr h TYR 83 N 2.80 0.36 -2.01 -1.98 0.05 -1.09 -3.46 116.97 111.65 1sfr h TYR 83 Ca -0.48 -0.12 -0.56 0.00 0.05 0.00 0.00 58.73 57.63 1sfr h TYR 83 Cb 1.19 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.77 1sfr h TYR 83 CO 0.62 0.73 -0.59 -0.65 -1.05 0.00 0.00 178.16 177.22 1sfr s GLN 84 N -4.19 2.30 0.70 4.88 -1.52 0.02 -5.06 119.66 116.80 1sfr s GLN 84 Ca -0.14 -1.53 -0.16 0.00 -1.95 0.00 0.00 55.36 51.58 1sfr s GLN 84 Cb 0.04 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.69 1sfr s GLN 84 CO 0.74 0.21 0.91 -2.30 -0.25 0.00 0.00 175.29 174.61 1sfr n PRO 85 N -1.02 0.54 -2.83 2.91 -0.02 -1.26 -4.74 135.00 128.57 1sfr n PRO 85 Ca -0.05 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 1sfr n PRO 85 Cb 0.61 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1sfr n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfr s ALA 86 N -1.78 3.13 -0.19 3.55 0.00 0.32 -4.90 121.76 121.90 1sfr s ALA 86 Ca 0.73 -2.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 1sfr s ALA 86 Cb -0.36 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 1sfr s ALA 86 CO 0.50 -2.96 0.08 0.00 0.00 0.00 0.00 175.76 173.38 1sfr n GLY 88 N 3.60 4.31 0.32 0.00 0.00 -0.39 -4.27 105.19 108.75 1sfr n GLY 88 Ca -0.16 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.37 1sfr n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sfr h LYS 89 N 0.00 0.89 0.00 1.61 1.79 -1.17 -1.82 116.57 117.86 1sfr h LYS 89 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1sfr h LYS 89 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1sfr h LYS 89 CO 0.00 0.59 0.00 0.00 -1.08 0.00 0.00 179.45 178.96 1sfr n ALA 90 N -2.36 1.90 0.00 3.86 0.00 -1.26 -5.01 120.51 117.63 1sfr n ALA 90 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1sfr n ALA 90 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1sfr n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfr n GLY 91 N 0.50 0.51 3.80 0.00 0.00 -0.69 -5.10 105.19 104.22 1sfr n GLY 91 Ca 0.04 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 1sfr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr s GLN 93 N -3.84 0.76 0.09 0.00 -2.07 -0.82 -4.97 119.66 108.82 1sfr s GLN 93 Ca 0.34 -0.23 -0.29 0.00 -1.82 0.00 0.00 55.36 53.36 1sfr s GLN 93 Cb -0.07 0.35 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1sfr s GLN 93 CO 0.24 -0.32 0.91 0.99 -1.32 0.00 0.00 175.29 175.79 1sfr s THR 94 N -2.82 4.56 -0.32 3.63 2.01 -1.26 -0.52 115.64 120.92 1sfr s THR 94 Ca 0.04 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.00 1sfr s THR 94 Cb -0.01 -4.27 0.08 0.00 0.01 0.00 0.00 72.50 68.31 1sfr s THR 94 CO -0.07 0.33 0.01 -0.31 -0.69 0.00 0.00 174.62 173.89 1sfr s TYR 95 N -0.03 3.46 -0.41 4.92 1.51 -1.26 -4.83 117.35 120.71 1sfr s TYR 95 Ca 0.45 -2.42 0.11 0.00 -1.01 0.00 0.00 57.07 54.20 1sfr s TYR 95 Cb -0.23 -2.47 0.37 0.00 -0.11 0.00 0.00 41.96 39.53 1sfr s TYR 95 CO 0.28 -0.90 0.82 1.63 -1.11 0.00 0.00 175.55 176.28 1sfr n LYS 96 N 4.45 1.55 0.17 -0.62 4.76 -1.26 -1.41 118.16 125.80 1sfr n LYS 96 Ca -0.07 -3.70 0.02 0.00 -2.87 0.00 0.00 58.31 51.69 1sfr n LYS 96 Cb 0.42 -1.76 0.31 0.00 -1.84 0.00 0.00 35.03 32.16 1sfr n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1sfr h TRP 97 N 2.98 0.00 -0.32 2.13 4.06 -1.67 -1.26 115.95 121.87 1sfr h TRP 97 Ca 0.08 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.92 1sfr h TRP 97 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 1sfr h TRP 97 CO 0.56 0.44 -0.26 1.49 -3.56 0.00 0.00 178.44 177.10 1sfr h GLU 98 N 0.00 0.75 -0.25 0.49 4.81 -1.65 -0.07 114.58 118.66 1sfr h GLU 98 Ca -0.00 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1sfr h GLU 98 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1sfr h GLU 98 CO 0.06 1.00 0.08 1.15 -0.73 0.00 0.00 179.01 180.57 1sfr h THR 99 N 0.52 1.19 -0.12 0.32 2.02 -1.87 -0.78 112.91 114.19 1sfr h THR 99 Ca 0.06 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1sfr h THR 99 Cb 0.83 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1sfr h THR 99 CO 0.07 0.20 -0.10 0.15 0.37 0.00 0.00 175.52 176.20 1sfr h PHE 100 N 0.24 -0.26 0.00 3.16 3.57 -1.11 -2.04 116.94 120.51 1sfr h PHE 100 Ca 0.08 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1sfr h PHE 100 Cb 0.22 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1sfr h PHE 100 CO 0.00 -0.16 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.52 1sfr h LEU 101 N -0.12 0.00 -1.40 0.59 3.38 -0.89 0.31 115.31 117.18 1sfr h LEU 101 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sfr h LEU 101 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sfr h LEU 101 CO -0.19 0.33 -0.25 0.35 0.09 0.00 0.00 178.44 178.77 1sfr n THR 102 N -3.61 0.00 0.09 0.22 -2.24 -0.31 -4.41 114.28 104.02 1sfr n THR 102 Ca -0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1sfr n THR 102 Cb 0.45 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1sfr n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sfr n SER 103 N 0.58 -0.95 -0.06 3.42 3.41 -0.78 -4.89 113.62 114.35 1sfr n SER 103 Ca 0.12 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.94 1sfr n SER 103 Cb 0.52 1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 65.48 1sfr n SER 103 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sfr h GLU 104 N 0.00 0.31 0.16 4.33 5.08 -1.48 0.11 114.58 123.10 1sfr h GLU 104 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1sfr h GLU 104 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sfr h GLU 104 CO 0.00 0.41 -0.08 1.25 -1.00 0.00 0.00 179.01 179.59 1sfr h LEU 105 N 0.15 -0.19 -1.17 1.33 6.46 -0.65 -1.43 115.31 119.81 1sfr h LEU 105 Ca 0.06 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1sfr h LEU 105 Cb 0.23 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1sfr h LEU 105 CO -0.00 0.23 0.09 1.55 -0.62 0.00 0.00 178.44 179.69 1sfr h PRO 106 N -0.64 0.67 -0.23 5.25 0.13 -1.77 0.01 132.00 135.42 1sfr h PRO 106 Ca -0.02 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1sfr h PRO 106 Cb 0.47 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1sfr h PRO 106 CO 0.04 0.63 0.11 0.78 -0.23 0.00 0.00 178.00 179.33 1sfr h GLY 107 N 0.88 0.36 1.23 1.56 0.00 -0.95 -1.36 103.07 104.78 1sfr h GLY 107 Ca 0.15 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1sfr h GLY 107 CO 0.00 0.17 -0.15 -0.25 0.00 0.00 0.00 176.54 176.31 1sfr h TRP 108 N 0.24 1.01 0.00 5.60 7.01 -0.95 -2.31 115.95 126.54 1sfr h TRP 108 Ca 0.08 -0.21 -0.06 0.00 2.11 0.00 0.00 58.89 60.81 1sfr h TRP 108 Cb 0.11 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1sfr h TRP 108 CO -0.02 0.98 -0.26 -0.07 -2.79 0.00 0.00 178.44 176.27 1sfr h LEU 109 N 0.80 0.00 0.03 0.65 3.38 -0.83 0.12 115.31 119.46 1sfr h LEU 109 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1sfr h LEU 109 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1sfr h LEU 109 CO 0.05 0.26 -0.67 -0.61 0.09 0.00 0.00 178.44 177.57 1sfr h GLN 110 N 0.00 0.40 -0.06 1.13 4.15 -1.04 -0.58 115.11 119.11 1sfr h GLN 110 Ca -0.00 -0.47 -0.14 0.00 0.77 0.00 0.00 58.65 58.81 1sfr h GLN 110 Cb 0.52 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1sfr h GLN 110 CO 0.03 1.14 -0.57 0.00 -1.93 0.00 0.00 178.83 177.50 1sfr h ALA 111 N 0.28 0.93 0.00 3.38 0.00 -1.14 -2.99 119.26 119.71 1sfr h ALA 111 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1sfr h ALA 111 Cb 1.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sfr h ALA 111 CO 0.13 0.71 -0.75 0.09 0.00 0.00 0.00 179.25 179.43 1sfr n ASN 112 N -3.89 1.16 -0.01 0.00 3.02 0.40 -4.69 115.26 111.25 1sfr n ASN 112 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1sfr n ASN 112 Cb 0.59 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 1sfr n ASN 112 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sfr n ARG 113 N -1.41 0.26 -3.91 3.52 5.12 -0.61 -5.02 116.66 114.62 1sfr n ARG 113 Ca 0.01 -0.60 -0.28 0.00 -1.93 0.00 0.00 57.85 55.05 1sfr n ARG 113 Cb 0.18 -0.54 0.01 0.00 -1.16 0.00 0.00 32.46 30.95 1sfr n ARG 113 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1sfr n HIS 114 N -0.05 -2.03 -3.36 -1.55 8.25 -0.60 -4.79 115.22 111.09 1sfr n HIS 114 Ca 0.00 0.85 -0.38 0.00 -0.26 0.00 0.00 57.72 57.93 1sfr n HIS 114 Cb 0.48 -3.92 -0.06 0.00 1.12 0.00 0.00 29.99 27.61 1sfr n HIS 114 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sfr s VAL 115 N -3.50 5.11 0.02 1.59 1.01 -0.33 0.10 120.40 124.41 1sfr s VAL 115 Ca 0.40 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1sfr s VAL 115 Cb -0.21 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 1sfr s VAL 115 CO 0.85 0.41 1.88 -0.75 0.00 0.00 0.00 175.10 177.49 1sfr s LYS 116 N 0.06 4.15 0.54 2.72 2.20 -0.88 -3.83 119.74 124.71 1sfr s LYS 116 Ca 0.25 2.50 0.31 0.00 -0.36 0.00 0.00 55.97 58.67 1sfr s LYS 116 Cb -0.16 -4.10 1.56 0.00 -1.51 0.00 0.00 37.83 33.62 1sfr s LYS 116 CO 0.12 -0.92 2.09 -1.00 -0.36 0.00 0.00 175.35 175.28 1sfr h PRO 117 N 10.27 0.00 -5.25 4.03 0.13 -1.90 -3.39 132.00 135.89 1sfr h PRO 117 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 1sfr h PRO 117 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1sfr h PRO 117 CO 0.94 0.09 -0.54 0.95 -0.23 0.00 0.00 178.00 179.21 1sfr s THR 118 N -4.10 1.20 -1.13 1.56 -4.23 -1.26 -4.75 115.64 102.93 1sfr s THR 118 Ca -0.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1sfr s THR 118 Cb 0.12 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1sfr s THR 118 CO 0.56 0.00 0.98 0.61 -0.54 0.00 0.00 174.62 176.23 1sfr n GLY 119 N -1.08 -0.31 3.99 3.99 0.00 -1.04 -4.76 105.19 105.99 1sfr n GLY 119 Ca -0.12 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1sfr n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sfr s SER 120 N -3.48 5.39 0.10 1.61 0.01 0.17 -4.47 113.70 113.03 1sfr s SER 120 Ca 0.39 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 57.12 1sfr s SER 120 Cb -0.17 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 1sfr s SER 120 CO 0.62 -0.91 -0.22 0.00 0.41 0.00 0.00 173.24 173.15 1sfr s ALA 121 N -2.47 1.86 -0.04 1.44 0.00 -0.27 -1.21 121.76 121.08 1sfr s ALA 121 Ca 0.55 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1sfr s ALA 121 Cb -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1sfr s ALA 121 CO 0.33 0.39 -0.03 0.54 0.00 0.00 0.00 175.76 176.98 1sfr s VAL 122 N -1.11 0.47 -0.08 0.00 0.11 -0.37 -0.10 120.40 119.32 1sfr s VAL 122 Ca 0.07 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1sfr s VAL 122 Cb -0.10 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1sfr s VAL 122 CO 0.04 0.22 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.25 1sfr s VAL 123 N 1.03 0.98 0.22 2.04 1.01 0.38 0.42 120.40 126.47 1sfr s VAL 123 Ca -0.09 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1sfr s VAL 123 Cb -0.14 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1sfr s VAL 123 CO -0.01 0.34 -0.08 -0.83 0.00 0.00 0.00 175.10 174.52 1sfr s GLY 124 N 1.11 1.49 0.10 4.51 0.00 0.16 -0.44 107.32 114.25 1sfr s GLY 124 Ca -0.07 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 42.98 1sfr s GLY 124 CO -0.01 -1.72 -0.10 0.48 0.00 0.00 0.00 173.10 171.74 1sfr s LEU 125 N -3.32 2.41 0.00 0.66 -0.00 -1.26 -1.28 118.68 115.90 1sfr s LEU 125 Ca 0.25 -0.81 0.00 0.00 -0.00 0.00 0.00 54.13 53.56 1sfr s LEU 125 Cb 0.03 -0.33 0.00 0.00 -0.00 0.00 0.00 46.19 45.89 1sfr s LEU 125 CO 0.07 -0.25 0.00 -0.24 -0.00 0.00 0.00 176.35 175.93 1sfr n SER 126 N 0.55 0.00 -0.19 1.48 2.88 0.11 -1.63 113.62 116.82 1sfr n SER 126 Ca -0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.33 1sfr n SER 126 Cb 0.58 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1sfr n SER 126 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1sfr h MET 127 N 0.00 -0.16 0.00 -1.46 1.85 -1.87 -0.83 114.93 112.46 1sfr h MET 127 Ca 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1sfr h MET 127 Cb 0.00 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.07 1sfr h MET 127 CO 0.00 -0.10 0.00 0.00 -0.40 0.00 0.00 176.91 176.41 1sfr n ALA 128 N -3.11 1.86 0.01 0.39 0.00 -0.64 -3.64 120.51 115.38 1sfr n ALA 128 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1sfr n ALA 128 Cb 0.35 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1sfr n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfr h ALA 129 N 2.73 0.07 0.00 0.00 0.00 -1.13 -0.18 119.26 120.75 1sfr h ALA 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1sfr h ALA 129 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1sfr h ALA 129 CO 0.00 -0.45 -0.52 0.66 0.00 0.00 0.00 179.25 178.94 1sfr h SER 130 N 0.06 0.00 -0.07 0.00 4.64 -1.74 -2.98 113.55 113.47 1sfr h SER 130 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sfr h SER 130 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sfr h SER 130 CO -0.02 0.52 0.04 0.28 -0.87 0.00 0.00 176.83 176.78 1sfr h SER 131 N 0.00 0.08 -0.79 4.97 0.02 -1.56 -0.13 113.55 116.14 1sfr h SER 131 Ca -0.01 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1sfr h SER 131 Cb 0.95 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.38 1sfr h SER 131 CO 0.07 0.08 0.38 0.00 -1.14 0.00 0.00 176.83 176.22 1sfr h ALA 132 N 1.01 1.15 -0.13 3.77 0.00 -0.89 0.11 119.26 124.27 1sfr h ALA 132 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1sfr h ALA 132 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sfr h ALA 132 CO -0.01 -0.11 -0.07 -0.07 0.00 0.00 0.00 179.25 178.99 1sfr h LEU 133 N 0.57 0.29 -0.49 0.00 3.38 -1.44 -2.79 115.31 114.83 1sfr h LEU 133 Ca 0.42 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sfr h LEU 133 Cb 0.58 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1sfr h LEU 133 CO -0.35 0.65 0.19 0.74 0.09 0.00 0.00 178.44 179.76 1sfr h THR 134 N -0.06 0.86 -0.64 0.22 2.02 -0.27 -1.02 112.91 114.02 1sfr h THR 134 Ca 0.03 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.15 1sfr h THR 134 Cb 0.54 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1sfr h THR 134 CO 0.02 0.07 0.33 -0.07 0.37 0.00 0.00 175.52 176.24 1sfr h LEU 135 N 0.38 0.46 -1.12 2.58 3.38 -0.76 -1.13 115.31 119.09 1sfr h LEU 135 Ca 0.23 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1sfr h LEU 135 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1sfr h LEU 135 CO -0.22 0.29 -0.25 0.00 0.09 0.00 0.00 178.44 178.35 1sfr h ALA 136 N 1.36 1.26 -0.62 1.53 0.00 -1.13 -1.02 119.26 120.64 1sfr h ALA 136 Ca 0.29 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1sfr h ALA 136 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sfr h ALA 136 CO -0.21 0.49 0.09 0.82 0.00 0.00 0.00 179.25 180.44 1sfr h ILE 137 N 0.28 1.26 -0.31 0.00 2.04 0.00 -2.60 117.51 118.18 1sfr h ILE 137 Ca 0.04 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1sfr h ILE 137 Cb 0.60 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1sfr h ILE 137 CO 0.04 0.37 0.00 -1.22 0.00 0.00 0.00 178.15 177.35 1sfr n TYR 138 N -4.22 0.40 -2.90 1.37 4.01 -0.75 -4.57 117.16 110.50 1sfr n TYR 138 Ca 0.04 -0.26 -0.12 0.00 -0.16 0.00 0.00 57.90 57.40 1sfr n TYR 138 Cb 0.29 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.35 1sfr n TYR 138 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sfr n HIS 139 N 1.10 -1.55 0.28 -0.72 8.25 -0.40 -4.99 115.22 117.20 1sfr n HIS 139 Ca 0.15 -2.79 0.15 0.00 -0.26 0.00 0.00 57.72 54.97 1sfr n HIS 139 Cb 0.50 0.78 0.81 0.00 1.12 0.00 0.00 29.99 33.19 1sfr n HIS 139 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sfr h PRO 140 N 2.95 0.00 -0.28 -0.41 0.13 -1.67 -1.17 132.00 131.55 1sfr h PRO 140 Ca -0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 1sfr h PRO 140 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1sfr h PRO 140 CO 0.27 0.08 -0.45 1.96 -0.23 0.00 0.00 178.00 179.63 1sfr h GLN 141 N 0.00 0.80 -0.00 0.86 4.20 -1.94 -3.32 115.11 115.71 1sfr h GLN 141 Ca -0.00 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 1sfr h GLN 141 Cb 0.30 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1sfr h GLN 141 CO 0.01 1.12 -0.00 0.37 -0.67 0.00 0.00 178.83 179.66 1sfr h GLN 142 N 0.56 0.00 -4.51 1.46 4.15 -1.78 -2.75 115.11 112.25 1sfr h GLN 142 Ca 0.02 -0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.74 1sfr h GLN 142 Cb 1.05 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.44 1sfr h GLN 142 CO 0.10 0.77 -0.52 -0.06 -1.93 0.00 0.00 178.83 177.19 1sfr s PHE 143 N -3.12 3.38 -2.21 3.99 0.08 -0.47 0.44 117.98 120.08 1sfr s PHE 143 Ca -0.18 -1.78 0.24 0.00 0.12 0.00 0.00 56.93 55.33 1sfr s PHE 143 Cb -0.01 -2.88 0.30 0.00 -0.57 0.00 0.00 43.02 39.86 1sfr s PHE 143 CO 0.68 -0.87 1.29 1.33 -0.10 0.00 0.00 175.22 177.56 1sfr n VAL 144 N 4.80 0.00 -3.81 -0.44 0.24 -0.35 -4.40 118.33 114.37 1sfr n VAL 144 Ca -0.09 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.79 1sfr n VAL 144 Cb 0.43 1.05 -0.16 0.00 -1.47 0.00 0.00 33.84 33.69 1sfr n VAL 144 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1sfr s TYR 145 N -2.34 0.06 -0.04 6.34 6.14 -1.16 -0.88 117.35 125.46 1sfr s TYR 145 Ca 0.23 0.09 0.02 0.00 0.64 0.00 0.00 57.07 58.05 1sfr s TYR 145 Cb 0.19 -0.22 0.02 0.00 0.42 0.00 0.00 41.96 42.37 1sfr s TYR 145 CO 0.49 -0.08 -0.07 0.00 0.64 0.00 0.00 175.55 176.53 1sfr s ALA 146 N 0.88 0.83 -0.17 3.97 0.00 0.16 -1.23 121.76 126.20 1sfr s ALA 146 Ca -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1sfr s ALA 146 Cb -0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 1sfr s ALA 146 CO -0.02 0.06 -0.12 0.20 0.00 0.00 0.00 175.76 175.88 1sfr s GLY 147 N 0.67 1.53 -0.20 0.00 0.00 0.17 -1.08 107.32 108.41 1sfr s GLY 147 Ca -0.10 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1sfr s GLY 147 CO 0.01 0.13 -0.12 0.00 0.00 0.00 0.00 173.10 173.12 1sfr s ALA 148 N 0.95 2.09 -0.24 3.20 0.00 -0.31 -0.66 121.76 126.79 1sfr s ALA 148 Ca -0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 1sfr s ALA 148 Cb -0.15 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1sfr s ALA 148 CO -0.01 -0.75 -0.04 -1.64 0.00 0.00 0.00 175.76 173.31 1sfr s MET 149 N 1.36 3.10 -1.36 0.00 -1.94 -0.40 -0.34 119.30 119.72 1sfr s MET 149 Ca -0.01 -0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1sfr s MET 149 Cb -0.16 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 1sfr s MET 149 CO -0.09 -0.31 0.49 0.43 -0.01 0.00 0.00 175.02 175.53 1sfr n SER 150 N 4.75 -0.99 -4.82 3.03 7.64 0.14 -0.71 113.62 122.65 1sfr n SER 150 Ca -0.17 -0.99 -0.22 0.00 1.01 0.00 0.00 58.87 58.50 1sfr n SER 150 Cb 0.49 -3.17 -0.05 0.00 -1.01 0.00 0.00 64.21 60.47 1sfr n SER 150 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sfr s GLY 151 N -4.26 2.06 -0.83 0.23 0.00 -1.26 -3.29 107.32 99.96 1sfr s GLY 151 Ca 0.06 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.73 1sfr s GLY 151 CO 0.88 -1.72 0.99 -2.27 0.00 0.00 0.00 173.10 170.98 1sfr s LEU 152 N -4.01 5.32 0.00 0.66 2.96 -1.26 -4.63 118.68 117.72 1sfr s LEU 152 Ca 0.43 -1.95 0.26 0.00 -0.22 0.00 0.00 54.13 52.66 1sfr s LEU 152 Cb -0.02 -2.36 1.57 0.00 0.50 0.00 0.00 46.19 45.88 1sfr s LEU 152 CO 0.26 -1.03 1.94 0.18 -1.32 0.00 0.00 176.35 176.37 1sfr n LEU 153 N 6.21 0.00 -2.81 -0.68 4.77 -1.26 -3.68 117.00 119.54 1sfr n LEU 153 Ca 0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1sfr n LEU 153 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1sfr n LEU 153 CO 0.50 0.00 -0.09 -0.90 -1.33 0.00 0.00 177.39 175.57 1sfr n ASP 154 N -0.98 1.89 0.22 -1.43 5.75 -1.26 -2.02 116.55 118.70 1sfr n ASP 154 Ca 0.20 -2.99 0.18 0.00 -0.01 0.00 0.00 54.79 52.16 1sfr n ASP 154 Cb 0.09 -0.55 0.82 0.00 -1.03 0.00 0.00 41.12 40.45 1sfr n ASP 154 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1sfr h PRO 155 N 2.95 0.00 -0.00 0.11 0.13 -1.89 -1.36 132.00 131.93 1sfr h PRO 155 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1sfr h PRO 155 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1sfr h PRO 155 CO 0.57 0.00 -0.37 -1.13 -0.23 0.00 0.00 178.00 176.83 1sfr n SER 156 N -3.42 0.44 -4.89 1.44 3.41 -1.26 -2.37 113.62 106.97 1sfr n SER 156 Ca 0.02 -0.16 -0.24 0.00 -0.26 0.00 0.00 58.87 58.23 1sfr n SER 156 Cb 0.43 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1sfr n SER 156 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sfr s GLN 157 N -2.95 3.19 7.49 4.33 -0.21 -0.52 -4.75 119.66 126.26 1sfr s GLN 157 Ca 0.13 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1sfr s GLN 157 Cb 0.18 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.41 1sfr s GLN 157 CO 0.65 0.46 0.00 0.00 -2.12 0.00 0.00 175.29 174.28 1sfr n ALA 158 N -0.88 0.00 -0.53 6.09 0.00 -1.26 -1.08 120.51 122.84 1sfr n ALA 158 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1sfr n ALA 158 Cb 0.56 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.36 1sfr n ALA 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sfr n MET 159 N 14.00 3.59 -0.14 0.00 2.81 -1.26 -4.59 117.12 131.52 1sfr n MET 159 Ca 0.00 -2.80 -0.06 0.00 -1.81 0.00 0.00 57.70 53.03 1sfr n MET 159 Cb 0.00 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.66 1sfr n MET 159 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1sfr h GLY 160 N 4.27 -0.09 0.85 3.03 0.00 -1.30 0.67 103.07 110.50 1sfr h GLY 160 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.73 1sfr h GLY 160 CO 0.21 -0.21 0.29 -2.55 0.00 0.00 0.00 176.54 174.27 1sfr h PRO 161 N -0.19 0.55 -0.43 4.80 0.11 -1.69 0.26 132.00 135.41 1sfr h PRO 161 Ca 0.20 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1sfr h PRO 161 Cb 0.52 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1sfr h PRO 161 CO -0.57 0.36 -0.09 1.15 -0.21 0.00 0.00 178.00 178.65 1sfr h THR 162 N 0.57 1.27 -0.63 -1.15 2.02 -1.70 -0.28 112.91 113.01 1sfr h THR 162 Ca 0.20 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 1sfr h THR 162 Cb 0.05 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1sfr h THR 162 CO -0.11 0.40 0.20 -0.07 0.37 0.00 0.00 175.52 176.32 1sfr h LEU 163 N 0.64 0.92 -1.26 2.58 3.38 0.71 -1.19 115.31 121.09 1sfr h LEU 163 Ca 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1sfr h LEU 163 Cb 0.61 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1sfr h LEU 163 CO 0.04 0.88 -0.03 0.40 0.09 0.00 0.00 178.44 179.82 1sfr h ILE 164 N 0.91 1.19 -0.48 1.22 2.04 -0.33 -1.57 117.51 120.50 1sfr h ILE 164 Ca 0.20 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1sfr h ILE 164 Cb 0.29 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1sfr h ILE 164 CO -0.01 0.26 0.18 1.23 0.00 0.00 0.00 178.15 179.81 1sfr h GLY 165 N 0.81 0.78 0.87 5.37 0.00 -0.18 0.30 103.07 111.02 1sfr h GLY 165 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1sfr h GLY 165 CO 0.01 0.41 0.06 1.41 0.00 0.00 0.00 176.54 178.44 1sfr h LEU 166 N 0.63 0.25 -0.31 3.11 3.38 -0.75 0.53 115.31 122.16 1sfr h LEU 166 Ca 0.16 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1sfr h LEU 166 Cb 0.22 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1sfr h LEU 166 CO -0.01 0.37 -0.05 0.00 0.09 0.00 0.00 178.44 178.84 1sfr h ALA 167 N 0.89 0.24 -0.12 1.53 0.00 -1.11 -0.36 119.26 120.33 1sfr h ALA 167 Ca 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1sfr h ALA 167 Cb 0.20 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sfr h ALA 167 CO -0.00 -0.44 -0.20 0.52 0.00 0.00 0.00 179.25 179.12 1sfr h MET 168 N 0.04 0.21 -0.30 0.00 2.86 -0.72 1.00 114.93 118.01 1sfr h MET 168 Ca 0.15 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1sfr h MET 168 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1sfr h MET 168 CO -0.29 0.41 -0.42 0.78 1.06 0.00 0.00 176.91 178.45 1sfr h GLY 169 N 0.85 0.81 1.88 8.32 0.00 0.11 -0.47 103.07 114.57 1sfr h GLY 169 Ca 0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.43 1sfr h GLY 169 CO 0.03 0.75 -0.58 -1.80 0.00 0.00 0.00 176.54 174.94 1sfr h ASP 170 N 0.60 0.00 -2.28 0.19 1.82 -0.69 -0.65 116.42 115.42 1sfr h ASP 170 Ca 0.04 0.00 -0.81 0.00 -0.39 0.00 0.00 57.03 55.88 1sfr h ASP 170 Cb 0.97 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 40.71 1sfr h ASP 170 CO 0.09 0.47 1.01 0.00 -1.61 0.00 0.00 179.24 179.21 1sfr n ALA 171 N -2.24 6.03 0.00 -0.78 0.00 0.31 -4.57 120.51 119.26 1sfr n ALA 171 Ca 0.01 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1sfr n ALA 171 Cb 0.73 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1sfr n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfr n GLY 172 N -0.00 2.28 1.25 0.00 0.00 -1.25 -4.45 105.19 103.01 1sfr n GLY 172 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 1sfr n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 173 N -0.23 0.53 3.88 -0.02 0.00 -0.25 -0.88 105.19 108.21 1sfr n GLY 173 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1sfr n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfr s TYR 174 N -3.02 3.27 -0.34 1.61 1.51 -0.22 -4.15 117.35 116.01 1sfr s TYR 174 Ca 0.01 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1sfr s TYR 174 Cb -0.00 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1sfr s TYR 174 CO 0.04 0.50 0.16 0.15 -1.11 0.00 0.00 175.55 175.29 1sfr s LYS 175 N -3.67 3.05 0.45 -0.62 -0.14 -1.26 -3.37 119.74 114.18 1sfr s LYS 175 Ca 0.33 -0.92 0.27 0.00 -1.36 0.00 0.00 55.97 54.30 1sfr s LYS 175 Cb -0.09 -3.61 1.32 0.00 -1.68 0.00 0.00 37.83 33.77 1sfr s LYS 175 CO 0.26 -0.55 1.74 0.00 -0.76 0.00 0.00 175.35 176.04 1sfr h ALA 176 N 8.37 2.64 -0.22 5.17 0.00 -1.90 0.30 119.26 133.62 1sfr h ALA 176 Ca -0.29 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1sfr h ALA 176 Cb 1.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1sfr h ALA 176 CO 0.64 -1.08 -0.03 0.66 0.00 0.00 0.00 179.25 179.43 1sfr h SER 177 N 0.21 0.30 0.29 0.00 4.64 -1.94 -0.97 113.55 116.09 1sfr h SER 177 Ca 0.65 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.88 1sfr h SER 177 Cb 2.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1sfr h SER 177 CO -0.23 0.39 -0.16 0.44 -0.87 0.00 0.00 176.83 176.40 1sfr h ASP 178 N 0.32 0.00 0.00 4.97 3.32 -0.71 0.72 116.42 125.05 1sfr h ASP 178 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1sfr h ASP 178 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sfr h ASP 178 CO 0.01 0.16 -0.05 -0.03 -1.72 0.00 0.00 179.24 177.60 1sfr h MET 179 N 0.00 0.00 -0.09 3.56 4.05 -1.22 0.19 114.93 121.43 1sfr h MET 179 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sfr h MET 179 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1sfr h MET 179 CO 0.02 0.00 0.00 0.91 0.23 0.00 0.00 176.91 178.07 1sfr n TRP 180 N -3.80 0.20 -4.54 1.39 8.01 -0.77 -2.40 117.44 115.53 1sfr n TRP 180 Ca -0.01 -0.73 0.00 0.00 -1.31 0.00 0.00 57.50 55.45 1sfr n TRP 180 Cb 0.03 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.21 1sfr n TRP 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfr n GLY 181 N -0.69 -0.48 3.67 6.99 0.00 0.25 -4.55 105.19 110.36 1sfr n GLY 181 Ca 0.10 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 1sfr n GLY 181 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sfr s PRO 182 N 0.00 0.95 0.35 1.61 0.02 -1.26 -4.19 135.00 132.48 1sfr s PRO 182 Ca 0.00 1.40 0.25 0.00 0.02 0.00 0.00 61.00 62.66 1sfr s PRO 182 Cb 0.00 -1.73 1.27 0.00 0.02 0.00 0.00 34.50 34.06 1sfr s PRO 182 CO 0.00 -2.63 1.75 -0.22 -0.33 0.00 0.00 177.00 175.57 1sfr h LYS 183 N -1.86 0.00 0.00 5.54 3.11 -2.00 -0.92 116.57 120.44 1sfr h LYS 183 Ca -0.45 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1sfr h LYS 183 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1sfr h LYS 183 CO 0.44 0.00 -0.33 1.05 -2.81 0.00 0.00 179.45 177.80 1sfr h GLU 184 N 0.00 0.00 -6.86 1.90 9.09 -1.93 -3.47 114.58 113.31 1sfr h GLU 184 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1sfr h GLU 184 Cb 0.08 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.25 1sfr h GLU 184 CO 0.00 0.00 0.70 0.34 0.05 0.00 0.00 179.01 180.10 1sfr s ASP 185 N -5.50 6.66 0.15 3.06 -1.08 -0.35 -4.90 116.67 114.71 1sfr s ASP 185 Ca 0.06 2.75 0.13 0.00 -0.52 0.00 0.00 52.55 54.97 1sfr s ASP 185 Cb 0.08 -2.65 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 1sfr s ASP 185 CO 0.70 -0.64 1.41 -0.81 0.52 0.00 0.00 175.17 176.34 1sfr n PRO 186 N 1.12 0.08 -0.12 4.34 -0.04 -1.26 -2.66 135.00 136.45 1sfr n PRO 186 Ca 0.02 0.50 0.03 0.00 -0.04 0.00 0.00 63.50 64.01 1sfr n PRO 186 Cb 0.41 -1.72 0.34 0.00 -0.04 0.00 0.00 33.50 32.49 1sfr n PRO 186 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfr h ALA 187 N 2.11 1.61 0.15 0.55 0.00 -1.91 -0.77 119.26 121.01 1sfr h ALA 187 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sfr h ALA 187 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1sfr h ALA 187 CO 0.00 0.34 -0.07 -1.49 0.00 0.00 0.00 179.25 178.03 1sfr h TRP 188 N 0.78 -0.18 -0.71 0.00 4.06 -1.75 -1.57 115.95 116.58 1sfr h TRP 188 Ca 0.23 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.16 1sfr h TRP 188 Cb -0.02 0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1sfr h TRP 188 CO -0.00 0.11 0.38 1.96 -3.56 0.00 0.00 178.44 177.34 1sfr h GLN 189 N -0.48 0.98 -0.64 0.49 1.08 -1.69 -2.12 115.11 112.72 1sfr h GLN 189 Ca -0.02 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1sfr h GLN 189 Cb 0.38 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1sfr h GLN 189 CO 0.03 0.72 0.35 -0.09 -0.95 0.00 0.00 178.83 178.90 1sfr h ARG 190 N 0.98 0.88 -0.66 1.46 1.12 -1.00 -2.54 114.38 114.63 1sfr h ARG 190 Ca 0.25 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1sfr h ARG 190 Cb 0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1sfr h ARG 190 CO -0.04 0.65 0.00 0.09 -3.11 0.00 0.00 179.97 177.56 1sfr n ASN 191 N -4.38 4.72 -4.37 -3.80 3.02 -0.61 -4.82 115.26 105.02 1sfr n ASN 191 Ca 0.06 -2.70 -0.43 0.00 -0.03 0.00 0.00 54.58 51.48 1sfr n ASN 191 Cb 0.10 -0.64 -0.09 0.00 -0.61 0.00 0.00 39.78 38.54 1sfr n ASN 191 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sfr s ASP 192 N -0.65 5.98 0.25 6.41 -1.08 -0.96 -4.85 116.67 121.78 1sfr s ASP 192 Ca 0.44 -1.28 -0.04 0.00 -0.52 0.00 0.00 52.55 51.15 1sfr s ASP 192 Cb 0.33 -2.12 0.40 0.00 -1.46 0.00 0.00 42.92 40.07 1sfr s ASP 192 CO 0.14 -0.57 1.82 -0.65 0.52 0.00 0.00 175.17 176.43 1sfr h PRO 193 N 8.63 0.81 -0.69 4.34 0.11 -1.86 -2.38 132.00 140.95 1sfr h PRO 193 Ca -0.27 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.80 1sfr h PRO 193 Cb 1.10 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1sfr h PRO 193 CO 0.81 0.54 0.45 1.25 -0.21 0.00 0.00 178.00 180.84 1sfr h LEU 194 N 0.84 0.79 -0.49 2.35 5.85 -1.78 0.16 115.31 123.03 1sfr h LEU 194 Ca 0.40 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1sfr h LEU 194 Cb 0.34 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1sfr h LEU 194 CO -0.24 0.58 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 1sfr n LEU 195 N -4.60 0.55 -0.12 2.25 4.77 -0.94 -2.99 117.00 115.92 1sfr n LEU 195 Ca 0.06 0.62 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 1sfr n LEU 195 Cb 0.02 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 40.69 1sfr n LEU 195 CO 0.36 -0.45 0.52 0.59 -1.33 0.00 0.00 177.39 177.07 1sfr n ASN 196 N -2.10 1.97 0.14 -1.43 3.02 -0.55 -4.73 115.26 111.59 1sfr n ASN 196 Ca 0.03 -2.82 0.19 0.00 -0.03 0.00 0.00 54.58 51.95 1sfr n ASN 196 Cb 0.25 -0.35 0.78 0.00 -0.61 0.00 0.00 39.78 39.84 1sfr n ASN 196 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1sfr h VAL 197 N 0.99 0.42 -0.54 2.41 3.04 -0.64 -1.55 116.25 120.38 1sfr h VAL 197 Ca 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.75 1sfr h VAL 197 Cb 1.01 0.73 -0.05 0.00 -2.01 0.00 0.00 31.29 30.97 1sfr h VAL 197 CO 0.00 0.00 0.25 1.23 -1.01 0.00 0.00 177.57 178.04 1sfr h GLY 198 N 0.00 0.75 0.82 3.17 0.00 -1.85 -1.96 103.07 104.00 1sfr h GLY 198 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1sfr h GLY 198 CO -0.00 0.07 0.15 0.50 0.00 0.00 0.00 176.54 177.26 1sfr h LYS 199 N 0.47 0.31 -0.84 4.80 1.79 -1.67 0.12 116.57 121.56 1sfr h LYS 199 Ca 0.25 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.80 1sfr h LYS 199 Cb 0.21 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1sfr h LYS 199 CO -0.20 0.21 0.55 -0.07 -1.08 0.00 0.00 179.45 178.85 1sfr h LEU 200 N 0.32 0.72 -0.15 2.94 3.38 -1.53 0.42 115.31 121.40 1sfr h LEU 200 Ca 0.14 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1sfr h LEU 200 Cb 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sfr h LEU 200 CO -0.10 0.42 -0.14 0.40 0.09 0.00 0.00 178.44 179.10 1sfr h ILE 201 N 0.79 1.34 -0.30 1.22 2.04 -0.52 -1.66 117.51 120.43 1sfr h ILE 201 Ca 0.39 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1sfr h ILE 201 Cb 0.45 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1sfr h ILE 201 CO -0.16 0.38 0.17 0.00 0.00 0.00 0.00 178.15 178.54 1sfr h ALA 202 N 0.62 0.38 0.00 1.87 0.00 0.14 -2.01 119.26 120.25 1sfr h ALA 202 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sfr h ALA 202 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sfr h ALA 202 CO 0.04 -0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.27 1sfr n ASN 203 N -4.83 0.00 -3.26 0.00 3.02 0.05 -4.87 115.26 105.36 1sfr n ASN 203 Ca -0.02 -0.63 -0.23 0.00 -0.03 0.00 0.00 54.58 53.67 1sfr n ASN 203 Cb 0.06 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1sfr n ASN 203 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sfr n ASN 204 N -1.07 -4.66 -4.75 6.41 5.15 -0.76 -4.89 115.26 110.69 1sfr n ASN 204 Ca 0.18 -0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 53.37 1sfr n ASN 204 Cb 0.12 -3.81 -0.02 0.00 -0.53 0.00 0.00 39.78 35.54 1sfr n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sfr s THR 205 N -3.04 2.11 -0.30 -0.44 2.01 -0.66 -4.91 115.64 110.40 1sfr s THR 205 Ca 0.38 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1sfr s THR 205 Cb -0.19 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1sfr s THR 205 CO 0.46 0.01 1.41 -0.60 -0.69 0.00 0.00 174.62 175.22 1sfr s ARG 206 N -0.33 3.81 -0.12 4.92 3.00 -0.06 -4.73 118.95 125.43 1sfr s ARG 206 Ca 0.64 1.29 -0.05 0.00 -1.00 0.00 0.00 55.73 56.62 1sfr s ARG 206 Cb -0.48 -3.95 -0.04 0.00 0.00 0.00 0.00 34.95 30.49 1sfr s ARG 206 CO 0.46 -1.26 0.05 0.08 0.00 0.00 0.00 175.30 174.63 1sfr s VAL 207 N 4.83 4.74 -0.29 7.11 1.01 -0.32 -0.66 120.40 136.82 1sfr s VAL 207 Ca 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1sfr s VAL 207 Cb -0.18 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.24 1sfr s VAL 207 CO 0.27 0.56 0.12 0.86 0.00 0.00 0.00 175.10 176.91 1sfr s TRP 208 N -0.52 0.56 -0.09 5.22 -0.11 -0.24 0.12 118.94 123.88 1sfr s TRP 208 Ca 0.10 -0.99 -0.01 0.00 1.22 0.00 0.00 56.10 56.42 1sfr s TRP 208 Cb -0.12 -1.03 -0.03 0.00 -1.50 0.00 0.00 33.47 30.79 1sfr s TRP 208 CO 0.02 -0.82 -0.02 0.08 -4.62 0.00 0.00 176.95 171.59 1sfr s VAL 209 N 2.02 4.08 0.03 5.86 1.01 -0.05 -1.16 120.40 132.19 1sfr s VAL 209 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1sfr s VAL 209 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1sfr s VAL 209 CO -0.33 0.59 -0.09 -0.47 0.00 0.00 0.00 175.10 174.81 1sfr s TYR 210 N -0.75 0.74 -0.29 5.22 5.04 0.54 -1.33 117.35 126.52 1sfr s TYR 210 Ca 0.12 -0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 54.22 1sfr s TYR 210 Cb -0.11 -0.45 0.13 0.00 0.35 0.00 0.00 41.96 41.88 1sfr s TYR 210 CO 0.02 -0.04 0.90 0.00 -1.34 0.00 0.00 175.55 175.10 1sfr n GLY 212 N 4.04 -1.26 0.42 0.00 0.00 -1.26 -3.94 105.19 103.18 1sfr n GLY 212 Ca -0.18 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.16 1sfr n GLY 212 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sfr n ASN 213 N -3.60 2.55 0.00 1.61 0.23 -0.84 -4.70 115.26 110.52 1sfr n ASN 213 Ca 0.13 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1sfr n ASN 213 Cb 0.44 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1sfr n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sfr n GLY 214 N 0.20 0.73 3.48 4.83 0.00 0.36 -4.55 105.19 110.24 1sfr n GLY 214 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1sfr n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfr s LYS 215 N -0.74 3.11 0.64 1.61 3.01 -1.25 -4.64 119.74 121.48 1sfr s LYS 215 Ca 0.00 -0.87 -0.16 0.00 -1.01 0.00 0.00 55.97 53.93 1sfr s LYS 215 Cb 0.00 -3.94 -0.01 0.00 -1.01 0.00 0.00 37.83 32.87 1sfr s LYS 215 CO 0.00 -0.71 1.14 -1.25 0.51 0.00 0.00 175.35 175.04 1sfr s PRO 216 N 1.81 2.81 0.00 -1.68 0.04 -1.26 -0.24 135.00 136.48 1sfr s PRO 216 Ca 0.07 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1sfr s PRO 216 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1sfr s PRO 216 CO 0.11 -1.27 0.00 -1.13 0.04 0.00 0.00 177.00 174.75 1sfr n SER 217 N -2.14 1.98 0.29 6.66 3.41 -1.26 -4.80 113.62 117.77 1sfr n SER 217 Ca 0.12 -1.00 0.17 0.00 -0.26 0.00 0.00 58.87 57.90 1sfr n SER 217 Cb 0.51 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.37 1sfr n SER 217 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sfr h ASP 218 N 0.00 0.00 0.03 4.04 3.32 -2.04 -1.81 116.42 119.95 1sfr h ASP 218 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1sfr h ASP 218 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1sfr h ASP 218 CO 0.00 0.00 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.33 1sfr h LEU 219 N 0.00 0.20 0.00 1.55 3.38 -1.97 -3.49 115.31 114.98 1sfr h LEU 219 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sfr h LEU 219 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sfr h LEU 219 CO 0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1sfr n GLY 220 N -0.93 0.09 3.81 0.83 0.00 -0.68 -4.88 105.19 103.42 1sfr n GLY 220 Ca -0.01 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1sfr n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 221 N 0.00 -0.47 3.35 -0.02 0.00 -1.26 -4.32 105.19 102.46 1sfr n GLY 221 Ca 0.00 0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1sfr n GLY 221 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sfr n ASN 222 N -2.92 5.45 -3.82 1.61 5.15 -1.26 -4.65 115.26 114.82 1sfr n ASN 222 Ca -0.03 -3.04 -0.12 0.00 -0.60 0.00 0.00 54.58 50.79 1sfr n ASN 222 Cb 0.56 -1.45 -0.10 0.00 -0.53 0.00 0.00 39.78 38.26 1sfr n ASN 222 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1sfr s ASN 223 N 1.68 -0.10 0.14 1.20 2.20 -1.26 -5.09 114.94 113.71 1sfr s ASN 223 Ca 0.36 -0.00 -0.28 0.00 -0.94 0.00 0.00 52.86 52.00 1sfr s ASN 223 Cb -0.05 0.29 -0.03 0.00 -2.00 0.00 0.00 41.25 39.45 1sfr s ASN 223 CO -0.03 -0.37 1.59 0.25 -2.94 0.00 0.00 177.10 175.59 1sfr h LEU 224 N 4.29 -1.28 -0.73 3.54 5.85 -2.00 -2.14 115.31 122.84 1sfr h LEU 224 Ca -0.30 0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.76 1sfr h LEU 224 Cb 1.19 0.54 -0.11 0.00 0.37 0.00 0.00 40.66 42.65 1sfr h LEU 224 CO 0.40 -0.40 0.15 -0.65 -0.34 0.00 0.00 178.44 177.60 1sfr h PRO 225 N -0.42 0.24 -0.71 5.25 0.11 -1.98 -0.65 132.00 133.84 1sfr h PRO 225 Ca 0.10 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1sfr h PRO 225 Cb 0.60 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1sfr h PRO 225 CO -0.44 0.16 0.26 0.00 -0.21 0.00 0.00 178.00 177.76 1sfr h ALA 226 N 1.61 0.92 0.12 -0.75 0.00 -1.73 -1.80 119.26 117.64 1sfr h ALA 226 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sfr h ALA 226 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sfr h ALA 226 CO -0.52 0.56 -0.06 0.87 0.00 0.00 0.00 179.25 180.10 1sfr h LYS 227 N 1.02 -0.16 -0.21 0.00 1.57 -0.65 -0.49 116.57 117.65 1sfr h LYS 227 Ca 0.23 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1sfr h LYS 227 Cb 0.25 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1sfr h LYS 227 CO -0.01 0.12 0.03 0.35 -0.57 0.00 0.00 179.45 179.36 1sfr h PHE 228 N -0.43 0.04 -0.78 -1.35 3.57 -1.11 -1.48 116.94 115.41 1sfr h PHE 228 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sfr h PHE 228 Cb 0.35 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1sfr h PHE 228 CO 0.01 0.00 0.49 -0.07 -2.23 0.00 0.00 178.31 176.52 1sfr h LEU 229 N 0.10 0.92 -0.51 0.59 3.38 -1.39 0.30 115.31 118.70 1sfr h LEU 229 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sfr h LEU 229 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1sfr h LEU 229 CO -0.14 0.69 0.18 -0.08 0.09 0.00 0.00 178.44 179.19 1sfr h GLU 230 N 1.06 0.78 -0.72 1.13 4.57 -1.29 -1.04 114.58 119.08 1sfr h GLU 230 Ca 0.28 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1sfr h GLU 230 Cb -0.08 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1sfr h GLU 230 CO -0.06 0.70 0.18 0.78 -1.18 0.00 0.00 179.01 179.43 1sfr h GLY 231 N 0.69 1.24 1.03 1.92 0.00 -0.73 -2.38 103.07 104.85 1sfr h GLY 231 Ca 0.17 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1sfr h GLY 231 CO -0.01 0.72 0.24 -2.75 0.00 0.00 0.00 176.54 174.74 1sfr h PHE 232 N 1.09 1.11 0.00 5.60 3.57 0.00 -3.17 116.94 125.14 1sfr h PHE 232 Ca 0.23 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sfr h PHE 232 Cb 0.38 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1sfr h PHE 232 CO 0.03 0.88 -0.40 -0.39 -2.23 0.00 0.00 178.31 176.19 1sfr h VAL 233 N 1.02 0.00 -0.48 1.41 -1.51 -1.12 -3.36 116.25 112.21 1sfr h VAL 233 Ca 0.23 -0.89 0.11 0.00 -1.23 0.00 0.00 66.70 64.92 1sfr h VAL 233 Cb 0.27 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 1sfr h VAL 233 CO -0.01 0.00 0.34 -0.09 -1.23 0.00 0.00 177.57 176.58 1sfr h ARG 234 N 0.00 0.14 -0.38 5.19 2.43 -1.40 -2.31 114.38 118.04 1sfr h ARG 234 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1sfr h ARG 234 Cb 0.95 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1sfr h ARG 234 CO 0.00 0.09 0.20 1.15 -1.51 0.00 0.00 179.97 179.90 1sfr h THR 235 N 0.14 1.16 -0.20 0.20 2.02 -1.74 -1.28 112.91 113.20 1sfr h THR 235 Ca 0.23 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1sfr h THR 235 Cb 0.72 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1sfr h THR 235 CO -0.03 0.16 -0.06 0.77 0.37 0.00 0.00 175.52 176.73 1sfr h SER 236 N 0.49 0.29 -0.33 4.18 4.64 -1.69 -0.98 113.55 120.15 1sfr h SER 236 Ca 0.13 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1sfr h SER 236 Cb 0.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1sfr h SER 236 CO -0.02 0.39 -0.32 0.78 -0.87 0.00 0.00 176.83 176.79 1sfr h ASN 237 N 0.30 0.90 -0.43 4.97 2.35 -1.29 -0.36 115.58 122.02 1sfr h ASN 237 Ca 0.07 -0.38 -0.14 0.00 -0.55 0.00 0.00 56.30 55.30 1sfr h ASN 237 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1sfr h ASN 237 CO 0.01 1.14 -0.26 0.40 -1.65 0.00 0.00 177.43 177.07 1sfr h ILE 238 N 0.72 1.27 -0.57 2.81 1.08 -0.80 -1.81 117.51 120.21 1sfr h ILE 238 Ca 0.07 -1.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.09 1sfr h ILE 238 Cb 0.88 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1sfr h ILE 238 CO 0.08 0.48 0.23 0.11 -0.69 0.00 0.00 178.15 178.36 1sfr h LYS 239 N 0.76 0.82 -0.26 2.37 1.57 -1.04 -1.56 116.57 119.23 1sfr h LYS 239 Ca 0.09 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1sfr h LYS 239 Cb 0.84 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1sfr h LYS 239 CO 0.07 0.67 0.01 0.35 -0.57 0.00 0.00 179.45 179.98 1sfr h PHE 240 N 0.81 0.49 0.42 -1.35 3.04 -0.80 -1.02 116.94 118.53 1sfr h PHE 240 Ca 0.19 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1sfr h PHE 240 Cb 0.15 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1sfr h PHE 240 CO 0.01 0.60 -0.32 0.37 -2.02 0.00 0.00 178.31 176.95 1sfr h GLN 241 N 0.24 -0.71 -0.74 1.11 4.15 -0.99 0.18 115.11 118.35 1sfr h GLN 241 Ca 0.08 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.70 1sfr h GLN 241 Cb 0.40 0.16 -0.11 0.00 0.21 0.00 0.00 27.48 28.14 1sfr h GLN 241 CO 0.01 -0.47 0.18 -0.44 -1.93 0.00 0.00 178.83 176.17 1sfr h ASP 242 N -0.74 0.01 -0.08 -0.69 3.32 -1.22 0.17 116.42 117.19 1sfr h ASP 242 Ca -0.04 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1sfr h ASP 242 Cb 0.63 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1sfr h ASP 242 CO -0.00 -0.04 -0.32 0.00 -1.72 0.00 0.00 179.24 177.15 1sfr h ALA 243 N 1.62 0.95 0.17 3.45 0.00 -0.82 -0.88 119.26 123.73 1sfr h ALA 243 Ca 0.42 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sfr h ALA 243 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sfr h ALA 243 CO -0.52 0.61 -0.08 -0.92 0.00 0.00 0.00 179.25 178.34 1sfr h TYR 244 N 0.48 -0.21 -0.32 0.00 3.20 0.21 -1.32 116.97 119.01 1sfr h TYR 244 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1sfr h TYR 244 Cb 0.79 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1sfr h TYR 244 CO 0.03 0.00 0.11 -0.91 -1.64 0.00 0.00 178.16 175.75 1sfr h ASN 245 N -0.39 0.46 -0.31 -2.11 2.35 -0.96 -0.93 115.58 113.69 1sfr h ASN 245 Ca -0.02 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1sfr h ASN 245 Cb 0.31 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1sfr h ASN 245 CO 0.04 0.54 0.21 0.00 -1.65 0.00 0.00 177.43 176.56 1sfr h ALA 246 N 0.95 1.85 -0.01 -0.83 0.00 -1.12 -1.94 119.26 118.16 1sfr h ALA 246 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sfr h ALA 246 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sfr h ALA 246 CO -0.00 0.12 -0.03 0.41 0.00 0.00 0.00 179.25 179.74 1sfr n GLY 247 N -1.50 -0.50 0.00 0.00 0.00 -0.50 -4.92 105.19 97.77 1sfr n GLY 247 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sfr n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 248 N 1.14 0.83 3.74 -0.02 0.00 -0.73 -5.01 105.19 105.14 1sfr n GLY 248 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1sfr n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 249 N -1.45 0.95 0.69 -0.02 0.00 -0.37 -4.90 105.19 100.09 1sfr n GLY 249 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1sfr n GLY 249 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sfr n HIS 250 N 0.66 0.00 -2.80 1.61 1.44 -1.26 -4.69 115.22 110.18 1sfr n HIS 250 Ca 0.04 -0.10 -0.02 0.00 -2.01 0.00 0.00 57.72 55.63 1sfr n HIS 250 Cb 0.37 -0.01 0.05 0.00 0.12 0.00 0.00 29.99 30.52 1sfr n HIS 250 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1sfr n ASN 251 N 0.08 1.46 -4.22 4.39 5.15 -1.26 -5.10 115.26 115.76 1sfr n ASN 251 Ca 0.00 -2.15 -0.21 0.00 -0.60 0.00 0.00 54.58 51.62 1sfr n ASN 251 Cb 0.75 -0.45 -0.12 0.00 -0.53 0.00 0.00 39.78 39.42 1sfr n ASN 251 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sfr s GLY 252 N -3.61 1.02 -0.09 8.20 0.00 -1.26 -1.17 107.32 110.41 1sfr s GLY 252 Ca 0.27 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1sfr s GLY 252 CO -0.03 -1.11 -0.18 0.14 0.00 0.00 0.00 173.10 171.92 1sfr s VAL 253 N -1.21 2.64 -0.18 1.40 1.01 0.32 -4.94 120.40 119.44 1sfr s VAL 253 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1sfr s VAL 253 Cb -0.10 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1sfr s VAL 253 CO 0.03 0.56 -0.10 -0.36 0.00 0.00 0.00 175.10 175.23 1sfr s PHE 254 N -0.02 2.21 -0.43 5.22 0.08 -1.26 -0.87 117.98 122.91 1sfr s PHE 254 Ca -0.05 -1.42 0.02 0.00 0.12 0.00 0.00 56.93 55.60 1sfr s PHE 254 Cb -0.14 -1.56 0.12 0.00 -0.57 0.00 0.00 43.02 40.86 1sfr s PHE 254 CO 0.05 -0.70 0.18 0.34 -0.10 0.00 0.00 175.22 174.98 1sfr s ASP 255 N 1.46 4.83 -0.74 1.36 2.15 -0.44 -5.00 116.67 120.30 1sfr s ASP 255 Ca 0.00 -2.40 0.04 0.00 0.43 0.00 0.00 52.55 50.62 1sfr s ASP 255 Cb -0.15 -1.70 0.20 0.00 -0.30 0.00 0.00 42.92 40.96 1sfr s ASP 255 CO -0.08 -0.38 0.63 0.49 -0.17 0.00 0.00 175.17 175.65 1sfr n PHE 256 N 3.99 3.50 -0.98 -5.34 3.72 -1.26 -2.39 117.46 118.70 1sfr n PHE 256 Ca 0.03 -4.21 -0.30 0.00 -0.05 0.00 0.00 57.45 52.93 1sfr n PHE 256 Cb 0.39 -0.72 0.23 0.00 -0.94 0.00 0.00 39.48 38.44 1sfr n PHE 256 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1sfr s PRO 257 N -1.71 -1.06 -1.01 -1.08 0.04 -1.25 -4.93 135.00 123.99 1sfr s PRO 257 Ca 0.29 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 1sfr s PRO 257 Cb -0.00 -1.60 0.31 0.00 0.04 0.00 0.00 34.50 33.25 1sfr s PRO 257 CO -0.12 -3.65 1.90 -0.25 0.04 0.00 0.00 177.00 174.92 1sfr n ASP 258 N -4.76 7.42 0.00 6.66 8.00 -1.26 -4.17 116.55 128.45 1sfr n ASP 258 Ca 0.10 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1sfr n ASP 258 Cb 0.59 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1sfr n ASP 258 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sfr n SER 259 N -0.03 0.00 0.00 -2.24 3.41 -1.26 -4.91 113.62 108.59 1sfr n SER 259 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1sfr n SER 259 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1sfr n SER 259 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfr n GLY 260 N -0.17 2.15 3.60 5.00 0.00 0.67 -1.98 105.19 114.46 1sfr n GLY 260 Ca 0.00 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 1sfr n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfr s THR 261 N -0.05 1.40 -0.98 2.61 -4.23 -1.26 -0.49 115.64 112.64 1sfr s THR 261 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1sfr s THR 261 Cb 0.00 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 1sfr s THR 261 CO 0.00 0.00 2.04 1.57 -0.54 0.00 0.00 174.62 177.69 1sfr n HIS 262 N -0.96 2.28 -3.93 3.99 -0.00 -0.22 -4.82 115.22 111.57 1sfr n HIS 262 Ca -0.08 -2.16 -0.10 0.00 0.46 0.00 0.00 57.72 55.84 1sfr n HIS 262 Cb 0.67 -1.94 -0.10 0.00 -0.12 0.00 0.00 29.99 28.49 1sfr n HIS 262 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1sfr s SER 263 N 4.34 0.14 0.44 0.26 0.15 -1.26 -4.75 113.70 113.01 1sfr s SER 263 Ca 0.54 -0.36 0.17 0.00 0.70 0.00 0.00 55.95 56.99 1sfr s SER 263 Cb 0.14 0.15 1.09 0.00 -1.71 0.00 0.00 66.02 65.70 1sfr s SER 263 CO 0.05 -0.34 1.92 -0.50 1.20 0.00 0.00 173.24 175.56 1sfr h TRP 264 N 4.43 0.44 -0.49 3.44 4.06 -1.96 -1.71 115.95 124.16 1sfr h TRP 264 Ca -0.31 0.01 0.09 0.00 2.06 0.00 0.00 58.89 60.74 1sfr h TRP 264 Cb 1.20 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 1sfr h TRP 264 CO 0.62 0.16 0.34 0.93 -3.56 0.00 0.00 178.44 176.93 1sfr h GLU 265 N 0.37 0.25 0.24 0.49 3.07 -1.90 0.23 114.58 117.34 1sfr h GLU 265 Ca 0.37 -0.02 -0.31 0.00 -0.50 0.00 0.00 59.36 58.90 1sfr h GLU 265 Cb 0.92 -0.06 0.04 0.00 -0.84 0.00 0.00 28.75 28.80 1sfr h GLU 265 CO -0.11 0.17 -1.38 1.88 -1.40 0.00 0.00 179.01 178.16 1sfr h TYR 266 N 0.26 0.92 -0.28 4.33 0.05 -1.63 -2.87 116.97 117.75 1sfr h TYR 266 Ca 0.23 -0.67 -0.11 0.00 0.05 0.00 0.00 58.73 58.23 1sfr h TYR 266 Cb 0.56 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1sfr h TYR 266 CO -0.00 1.53 -0.27 -1.49 -1.05 0.00 0.00 178.16 176.88 1sfr h TRP 267 N 0.06 0.64 -0.13 4.88 6.55 -1.21 -1.52 115.95 125.22 1sfr h TRP 267 Ca -0.24 -0.15 -0.02 0.00 0.95 0.00 0.00 58.89 59.43 1sfr h TRP 267 Cb 2.09 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 30.23 1sfr h TRP 267 CO 0.14 0.78 0.00 0.78 -1.05 0.00 0.00 178.44 179.10 1sfr h GLY 268 N 1.02 0.24 0.87 1.49 0.00 -0.68 -1.78 103.07 104.23 1sfr h GLY 268 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.26 1sfr h GLY 268 CO 0.06 0.16 0.65 0.00 0.00 0.00 0.00 176.54 177.41 1sfr h ALA 269 N 0.75 1.36 -0.31 3.60 0.00 -1.30 -2.13 119.26 121.24 1sfr h ALA 269 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sfr h ALA 269 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sfr h ALA 269 CO 0.01 0.54 0.15 1.96 0.00 0.00 0.00 179.25 181.91 1sfr h GLN 270 N 1.25 0.44 -0.39 0.00 1.08 -1.11 -1.98 115.11 114.41 1sfr h GLN 270 Ca 0.40 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.60 1sfr h GLN 270 Cb 0.02 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 1sfr h GLN 270 CO -0.13 0.41 0.08 1.25 -0.95 0.00 0.00 178.83 179.49 1sfr h LEU 271 N 0.36 0.01 -1.36 1.46 5.85 -0.70 -1.58 115.31 119.35 1sfr h LEU 271 Ca 0.11 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1sfr h LEU 271 Cb 0.11 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1sfr h LEU 271 CO -0.01 0.04 0.11 -1.13 -0.34 0.00 0.00 178.44 177.11 1sfr h ASN 272 N 0.21 0.49 0.76 1.25 -0.00 -1.27 -1.92 115.58 115.10 1sfr h ASN 272 Ca 0.19 -0.06 -0.05 0.00 -0.00 0.00 0.00 56.30 56.37 1sfr h ASN 272 Cb 0.22 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 1sfr h ASN 272 CO -0.24 0.48 -0.25 0.00 -0.00 0.00 0.00 177.43 177.42 1sfr h ALA 273 N 1.59 1.08 0.00 1.57 0.00 -0.53 -3.09 119.26 119.89 1sfr h ALA 273 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1sfr h ALA 273 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sfr h ALA 273 CO -0.01 0.31 -0.60 0.52 0.00 0.00 0.00 179.25 179.47 1sfr h MET 274 N 0.00 0.00 -0.78 0.00 2.86 -0.59 -3.39 114.93 113.03 1sfr h MET 274 Ca -0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1sfr h MET 274 Cb 0.70 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.23 1sfr h MET 274 CO 0.03 0.40 -0.30 1.17 1.06 0.00 0.00 176.91 179.27 1sfr n LYS 275 N -3.14 -0.17 -0.01 1.72 4.81 -1.11 -0.26 118.16 120.00 1sfr n LYS 275 Ca 0.00 1.20 -0.11 0.00 -0.87 0.00 0.00 58.31 58.54 1sfr n LYS 275 Cb 0.72 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 1sfr n LYS 275 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1sfr h PRO 276 N 0.00 0.15 -0.90 1.64 0.11 -1.82 -0.81 132.00 130.37 1sfr h PRO 276 Ca 0.28 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.40 1sfr h PRO 276 Cb 0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 1sfr h PRO 276 CO -0.78 0.11 0.59 0.22 -0.21 0.00 0.00 178.00 177.93 1sfr h ASP 277 N 0.14 1.00 -0.09 -2.05 3.58 -0.89 -1.52 116.42 116.59 1sfr h ASP 277 Ca 0.04 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1sfr h ASP 277 Cb -0.01 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 1sfr h ASP 277 CO -0.01 0.70 0.01 -0.07 -2.88 0.00 0.00 179.24 176.99 1sfr h LEU 278 N 1.17 0.15 -0.70 2.28 3.38 -0.69 0.59 115.31 121.50 1sfr h LEU 278 Ca 0.35 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1sfr h LEU 278 Cb -0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1sfr h LEU 278 CO -0.10 0.38 0.36 1.56 0.09 0.00 0.00 178.44 180.73 1sfr h GLN 279 N -0.08 0.61 0.28 1.13 4.20 -0.86 0.31 115.11 120.69 1sfr h GLN 279 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1sfr h GLN 279 Cb 0.30 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1sfr h GLN 279 CO 0.00 0.40 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.34 1sfr h ARG 280 N 0.63 -0.36 -0.36 1.46 1.12 -1.15 -0.96 114.38 114.75 1sfr h ARG 280 Ca 0.33 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1sfr h ARG 280 Cb 0.31 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 1sfr h ARG 280 CO -0.24 -0.04 0.21 0.00 -3.11 0.00 0.00 179.97 176.79 1sfr h ALA 281 N -0.11 1.70 -0.01 2.80 0.00 -0.63 -2.72 119.26 120.30 1sfr h ALA 281 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sfr h ALA 281 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sfr h ALA 281 CO 0.06 0.26 -0.44 1.28 0.00 0.00 0.00 179.25 180.42 1sfr n LEU 282 N -4.46 1.42 -2.23 0.00 4.77 0.07 -4.98 117.00 111.60 1sfr n LEU 282 Ca 0.02 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 1sfr n LEU 282 Cb 0.08 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1sfr n LEU 282 CO 0.35 0.27 0.12 0.61 -1.33 0.00 0.00 177.39 177.42 1sfr n GLY 283 N 1.40 0.11 3.85 -0.72 0.00 -0.72 -4.84 105.19 104.27 1sfr n GLY 283 Ca 0.10 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1sfr n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr s ALA 284 N -3.18 2.92 -0.38 4.61 0.00 -0.45 -4.95 121.76 120.34 1sfr s ALA 284 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1sfr s ALA 284 Cb -0.12 -3.11 0.12 0.00 0.00 0.00 0.00 23.12 20.01 1sfr s ALA 284 CO 0.40 -0.93 0.16 0.99 0.00 0.00 0.00 175.76 176.38 1sfr s THR 285 N -3.15 1.38 0.00 0.00 2.01 -1.26 -4.91 115.64 109.71 1sfr s THR 285 Ca 0.56 -2.11 0.00 0.00 0.31 0.00 0.00 61.69 60.46 1sfr s THR 285 Cb -0.12 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1sfr s THR 285 CO 0.54 -0.76 0.00 -0.81 -0.69 0.00 0.00 174.62 172.90 1sfr n PRO 286 N 4.14 0.82 -0.88 4.92 -0.04 -1.24 -4.10 135.00 138.61 1sfr n PRO 286 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1sfr n PRO 286 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1sfr n PRO 286 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55