#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ars s GLY 3 N 0.00 1.63 -0.19 8.31 0.00 -0.23 -4.11 107.32 112.73 2ars s GLY 3 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 2ars s GLY 3 CO 0.00 -1.63 -0.01 0.50 0.00 0.00 0.00 173.10 171.96 2ars s ARG 4 N -3.94 3.63 -0.33 2.90 0.52 0.30 -0.95 118.95 121.08 2ars s ARG 4 Ca 0.32 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.91 2ars s ARG 4 Cb 0.07 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2ars s ARG 4 CO 0.11 0.06 0.17 -1.17 0.02 0.00 0.00 175.30 174.49 2ars s LEU 5 N 0.85 4.30 -0.29 2.53 2.96 0.03 -0.94 118.68 128.13 2ars s LEU 5 Ca 0.00 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2ars s LEU 5 Cb -0.14 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2ars s LEU 5 CO 0.02 -0.25 0.03 -0.76 -1.32 0.00 0.00 176.35 174.07 2ars s LEU 6 N 1.60 3.70 -1.18 -0.68 1.43 -0.06 -0.57 118.68 122.91 2ars s LEU 6 Ca 0.04 -0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2ars s LEU 6 Cb -0.18 -1.79 0.23 0.00 0.03 0.00 0.00 46.19 44.48 2ars s LEU 6 CO 0.07 -0.19 1.77 0.18 0.23 0.00 0.00 176.35 178.40 2ars n LEU 7 N 4.77 6.79 -4.51 1.79 4.77 -1.26 -1.65 117.00 127.69 2ars n LEU 7 Ca -0.15 -4.97 -0.38 0.00 -0.03 0.00 0.00 56.01 50.48 2ars n LEU 7 Cb 0.47 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 2ars n LEU 7 CO 0.29 1.64 -0.20 -0.22 -1.33 0.00 0.00 177.39 177.58 2ars s LEU 8 N -1.83 3.97 0.35 2.23 2.96 -1.21 -4.99 118.68 120.16 2ars s LEU 8 Ca 0.37 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2ars s LEU 8 Cb 0.10 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2ars s LEU 8 CO 0.03 -0.10 0.09 -1.61 -1.32 0.00 0.00 176.35 173.43 2ars s GLU 9 N 1.69 1.72 -0.37 1.98 2.02 -1.26 -4.46 118.70 120.02 2ars s GLU 9 Ca 0.06 -1.99 0.11 0.00 0.02 0.00 0.00 54.97 53.17 2ars s GLU 9 Cb -0.16 -0.70 0.40 0.00 0.10 0.00 0.00 34.13 33.77 2ars s GLU 9 CO 0.08 -0.31 1.38 2.41 0.02 0.00 0.00 175.26 178.84 2ars n THR 10 N -0.74 0.11 -1.65 3.63 -1.04 -1.26 -5.00 114.28 108.32 2ars n THR 10 Ca -0.03 -1.51 -0.41 0.00 -2.04 0.00 0.00 64.05 60.05 2ars n THR 10 Cb 0.66 0.99 0.01 0.00 -1.82 0.00 0.00 70.33 70.17 2ars n THR 10 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2ars n PRO 11 N -0.83 1.60 0.00 -2.82 -0.04 -1.26 -0.42 135.00 131.24 2ars n PRO 11 Ca -0.06 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2ars n PRO 11 Cb 0.85 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2ars n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ars n GLY 12 N 1.02 2.97 2.67 0.55 0.00 -1.26 -4.94 105.19 106.20 2ars n GLY 12 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2ars n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ars s ASN 13 N 0.90 3.38 0.31 1.61 3.84 0.45 -4.97 114.94 120.45 2ars s ASN 13 Ca 0.00 -2.99 0.00 0.00 0.21 0.00 0.00 52.86 50.08 2ars s ASN 13 Cb 0.00 -1.01 0.49 0.00 -0.55 0.00 0.00 41.25 40.18 2ars s ASN 13 CO 0.00 -0.21 1.90 0.74 -2.79 0.00 0.00 177.10 176.74 2ars h THR 14 N 4.91 1.20 0.00 -5.21 2.02 -1.93 -1.99 112.91 111.92 2ars h THR 14 Ca 0.09 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2ars h THR 14 Cb 0.89 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2ars h THR 14 CO 0.50 0.25 0.00 0.54 0.37 0.00 0.00 175.52 177.18 2ars n ARG 15 N -4.34 0.13 0.00 6.66 1.74 -1.26 -1.32 116.66 118.27 2ars n ARG 15 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2ars n ARG 15 Cb 0.15 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2ars n ARG 15 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ars n SER 17 N 0.66 0.00 0.03 0.55 2.88 -0.75 -1.92 113.62 115.06 2ars n SER 17 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2ars n SER 17 Cb 0.05 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.71 2ars n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ars h LEU 18 N 0.00 0.45 -1.00 2.46 3.38 -1.49 -2.65 115.31 116.46 2ars h LEU 18 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2ars h LEU 18 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2ars h LEU 18 CO 0.00 0.72 0.33 0.00 0.09 0.00 0.00 178.44 179.58 2ars h ALA 19 N 1.32 1.21 -0.54 1.53 0.00 -1.65 -1.92 119.26 119.21 2ars h ALA 19 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ars h ALA 19 Cb 0.70 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2ars h ALA 19 CO 0.05 0.59 0.34 1.88 0.00 0.00 0.00 179.25 182.12 2ars h TYR 20 N 1.04 0.65 0.17 0.00 0.05 -1.77 0.18 116.97 117.28 2ars h TYR 20 Ca 0.25 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2ars h TYR 20 Cb 0.13 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2ars h TYR 20 CO 0.01 0.39 -0.15 -0.44 -1.05 0.00 0.00 178.16 176.93 2ars h ASP 21 N 0.69 -0.39 -0.14 3.88 3.32 -1.16 -0.80 116.42 121.83 2ars h ASP 21 Ca 0.21 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2ars h ASP 21 Cb -0.04 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2ars h ASP 21 CO -0.06 -0.23 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.04 2ars h GLU 22 N -0.34 0.48 0.47 3.56 4.81 -1.18 -2.30 114.58 120.09 2ars h GLU 22 Ca -0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2ars h GLU 22 Cb 0.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2ars h GLU 22 CO -0.02 0.59 -0.25 0.00 -0.73 0.00 0.00 179.01 178.60 2ars h ALA 23 N 1.44 -0.66 -0.06 2.92 0.00 -0.18 0.27 119.26 123.00 2ars h ALA 23 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ars h ALA 23 Cb 0.46 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2ars h ALA 23 CO 0.03 -0.88 -0.06 -0.84 0.00 0.00 0.00 179.25 177.50 2ars h ILE 24 N -0.67 1.08 0.01 0.00 3.07 -1.05 -0.08 117.51 119.88 2ars h ILE 24 Ca -0.06 -0.34 -0.00 0.00 1.55 0.00 0.00 64.86 66.01 2ars h ILE 24 Cb 0.52 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 2ars h ILE 24 CO 0.09 0.11 -0.00 0.22 -1.05 0.00 0.00 178.15 177.51 2ars h TYR 25 N 0.08 -0.01 -0.17 0.16 3.20 -1.01 -2.93 116.97 116.30 2ars h TYR 25 Ca 0.02 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2ars h TYR 25 Cb 0.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2ars h TYR 25 CO 0.00 0.62 -0.33 0.00 -1.64 0.00 0.00 178.16 176.81 2ars h ARG 26 N -0.65 0.35 0.00 1.82 3.08 -0.22 -2.93 114.38 115.83 2ars h ARG 26 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2ars h ARG 26 Cb 0.63 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2ars h ARG 26 CO 0.00 0.65 0.00 1.03 -1.07 0.00 0.00 179.97 180.58 2ars h SER 27 N 0.30 0.00 -3.73 7.04 0.87 -1.11 -3.46 113.55 113.47 2ars h SER 27 Ca 0.04 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.07 2ars h SER 27 Cb 0.74 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.77 2ars h SER 27 CO 0.06 0.00 0.72 0.12 -0.53 0.00 0.00 176.83 177.19 2ars s PHE 28 N -3.35 2.92 0.05 2.24 2.19 -1.10 -5.04 117.98 115.89 2ars s PHE 28 Ca 0.05 1.22 0.09 0.00 0.33 0.00 0.00 56.93 58.63 2ars s PHE 28 Cb 0.08 -3.82 -0.03 0.00 -1.31 0.00 0.00 43.02 37.94 2ars s PHE 28 CO 0.59 -2.42 -0.26 -0.65 1.83 0.00 0.00 175.22 174.31 2ars s GLN 29 N -1.40 1.69 0.07 10.12 -0.21 -1.26 -4.93 119.66 123.74 2ars s GLN 29 Ca 0.53 -1.11 -0.36 0.00 0.02 0.00 0.00 55.36 54.44 2ars s GLN 29 Cb -0.42 -1.89 -0.15 0.00 1.00 0.00 0.00 33.01 31.54 2ars s GLN 29 CO 0.52 0.48 1.50 0.98 -2.12 0.00 0.00 175.29 176.66 2ars n TYR 30 N 1.68 1.89 0.00 0.91 9.36 -1.25 -1.04 117.16 128.71 2ars n TYR 30 Ca -0.17 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.50 2ars n TYR 30 Cb 0.52 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 2ars n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ars n GLY 31 N 3.13 1.61 3.59 2.98 0.00 -1.26 -5.08 105.19 110.15 2ars n GLY 31 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2ars n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ars s ASP 32 N -1.58 1.51 0.23 1.61 1.01 -0.21 -4.97 116.67 114.27 2ars s ASP 32 Ca 0.00 1.07 -0.30 0.00 0.71 0.00 0.00 52.55 54.03 2ars s ASP 32 Cb 0.00 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.21 2ars s ASP 32 CO 0.00 -3.81 1.11 -0.54 0.21 0.00 0.00 175.17 172.14 2ars s LYS 33 N -4.98 4.61 0.64 8.23 1.02 -1.26 -4.80 119.74 123.20 2ars s LYS 33 Ca 0.68 1.78 -0.18 0.00 0.02 0.00 0.00 55.97 58.26 2ars s LYS 33 Cb -0.17 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2ars s LYS 33 CO 0.59 0.14 1.28 -2.14 -0.92 0.00 0.00 175.35 174.29 2ars s PRO 34 N -0.93 2.61 -0.05 -1.68 0.02 -1.26 -4.72 135.00 128.99 2ars s PRO 34 Ca 0.47 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.56 2ars s PRO 34 Cb -0.31 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 2ars s PRO 34 CO 0.38 -1.54 -0.21 0.42 -0.33 0.00 0.00 177.00 175.72 2ars s ILE 35 N -1.44 1.75 -0.16 2.83 1.01 0.24 -0.54 121.20 124.89 2ars s ILE 35 Ca 0.82 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 2ars s ILE 35 Cb -0.36 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.66 2ars s ILE 35 CO 0.39 0.49 -0.06 -0.22 0.00 0.00 0.00 174.94 175.55 2ars s LEU 36 N -0.06 1.58 -0.06 2.97 2.96 -0.12 -0.98 118.68 124.97 2ars s LEU 36 Ca -0.04 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 2ars s LEU 36 Cb -0.13 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2ars s LEU 36 CO 0.03 -0.18 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.12 2ars s ARG 37 N 1.64 2.64 -0.06 1.98 3.52 0.22 -0.89 118.95 128.00 2ars s ARG 37 Ca 0.01 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2ars s ARG 37 Cb -0.15 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2ars s ARG 37 CO -0.08 0.52 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.68 2ars s PHE 38 N -0.47 2.58 0.30 5.12 0.08 -0.66 -0.73 117.98 124.20 2ars s PHE 38 Ca 0.06 -0.47 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 2ars s PHE 38 Cb -0.12 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.72 2ars s PHE 38 CO 0.02 -0.05 0.73 1.52 -0.10 0.00 0.00 175.22 177.33 2ars s TYR 39 N -0.34 -0.12 0.02 0.36 1.13 -0.25 -3.36 117.35 114.79 2ars s TYR 39 Ca 0.02 -0.38 -0.01 0.00 -1.41 0.00 0.00 57.07 55.29 2ars s TYR 39 Cb -0.12 0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 41.44 2ars s TYR 39 CO 0.02 -1.30 0.00 1.03 -2.51 0.00 0.00 175.55 172.80 2ars s ARG 40 N -3.63 0.35 0.07 -3.49 0.52 -1.26 -0.94 118.95 110.56 2ars s ARG 40 Ca 0.12 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 54.84 2ars s ARG 40 Cb -0.06 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 2ars s ARG 40 CO 0.08 -0.06 -0.26 -1.01 0.02 0.00 0.00 175.30 174.07 2ars s HIS 41 N -1.49 2.35 0.75 -0.53 3.76 -1.26 -4.19 115.29 114.67 2ars s HIS 41 Ca -0.15 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.30 2ars s HIS 41 Cb -0.09 -1.36 0.10 0.00 1.11 0.00 0.00 32.58 32.33 2ars s HIS 41 CO -0.01 0.20 1.05 0.34 -0.85 0.00 0.00 174.74 175.47 2ars s ASP 42 N -1.48 4.43 -0.28 1.40 -1.08 -1.26 -2.63 116.67 115.77 2ars s ASP 42 Ca 0.13 0.23 -0.25 0.00 -0.52 0.00 0.00 52.55 52.13 2ars s ASP 42 Cb -0.10 -0.72 -0.11 0.00 -1.46 0.00 0.00 42.92 40.53 2ars s ASP 42 CO 0.04 -1.84 1.14 0.54 0.52 0.00 0.00 175.17 175.57 2ars n ARG 43 N -3.03 0.00 -3.59 4.34 1.74 -1.24 -4.48 116.66 110.40 2ars n ARG 43 Ca 0.11 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2ars n ARG 43 Cb 0.60 -0.84 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 2ars n ARG 43 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ars s SER 44 N 3.04 -0.25 -0.13 0.55 1.04 -0.43 -4.56 113.70 112.96 2ars s SER 44 Ca 0.65 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 57.00 2ars s SER 44 Cb -0.84 0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.62 2ars s SER 44 CO 0.38 -0.58 -0.21 -0.69 0.98 0.00 0.00 173.24 173.13 2ars s VAL 45 N -2.95 2.22 -0.21 5.02 1.01 -1.26 -0.39 120.40 123.85 2ars s VAL 45 Ca 0.08 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2ars s VAL 45 Cb -0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2ars s VAL 45 CO -0.05 0.55 -0.02 -0.63 0.00 0.00 0.00 175.10 174.95 2ars s ILE 46 N 0.60 3.74 0.15 2.22 -1.09 -0.21 -1.44 121.20 125.17 2ars s ILE 46 Ca -0.12 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 57.96 2ars s ILE 46 Cb -0.16 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2ars s ILE 46 CO 0.03 0.43 0.18 0.27 -1.23 0.00 0.00 174.94 174.61 2ars s ILE 47 N 1.16 4.77 0.81 2.92 -4.36 -0.11 -1.43 121.20 124.96 2ars s ILE 47 Ca 0.03 -0.91 -0.11 0.00 -0.26 0.00 0.00 60.65 59.40 2ars s ILE 47 Cb -0.14 -3.42 0.08 0.00 1.25 0.00 0.00 42.46 40.22 2ars s ILE 47 CO 0.01 -0.07 1.09 -0.83 0.24 0.00 0.00 174.94 175.37 2ars s GLY 48 N -3.05 1.65 0.22 6.27 0.00 -1.24 -1.52 107.32 109.65 2ars s GLY 48 Ca 0.32 0.06 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 2ars s GLY 48 CO 0.25 0.46 1.71 -1.82 0.00 0.00 0.00 173.10 173.70 2ars h TYR 49 N -1.21 0.31 -0.14 1.90 3.20 -1.19 -1.82 116.97 118.01 2ars h TYR 49 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2ars h TYR 49 Cb 1.25 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2ars h TYR 49 CO 0.51 0.01 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 2ars n PHE 50 N -5.08 0.27 -3.76 -3.82 3.01 -1.26 -4.89 117.46 101.93 2ars n PHE 50 Ca 0.11 -0.12 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 2ars n PHE 50 Cb 0.35 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 2ars n PHE 50 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2ars s GLN 51 N -1.68 2.83 -0.13 -1.08 -0.21 -0.69 -5.11 119.66 113.59 2ars s GLN 51 Ca 0.11 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.29 2ars s GLN 51 Cb 0.06 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.53 2ars s GLN 51 CO 0.06 0.11 -0.18 0.08 -2.12 0.00 0.00 175.29 173.23 2ars s VAL 52 N -2.27 1.79 0.34 1.09 1.01 -1.26 -4.50 120.40 116.60 2ars s VAL 52 Ca 0.41 -0.81 0.12 0.00 0.00 0.00 0.00 61.98 61.71 2ars s VAL 52 Cb -0.07 -1.61 0.35 0.00 0.00 0.00 0.00 36.38 35.06 2ars s VAL 52 CO 0.27 0.50 1.61 0.00 0.00 0.00 0.00 175.10 177.48 2ars h ALA 53 N 7.46 1.76 0.00 5.51 0.00 -1.96 -0.36 119.26 131.67 2ars h ALA 53 Ca -0.33 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ars h ALA 53 Cb 1.18 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2ars h ALA 53 CO 0.53 -0.70 0.00 0.39 0.00 0.00 0.00 179.25 179.47 2ars n GLU 54 N -5.25 0.31 -0.06 0.00 1.02 -1.26 -1.70 120.64 113.70 2ars n GLU 54 Ca 0.31 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.50 2ars n GLU 54 Cb 1.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 2ars n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ars n GLU 55 N -1.29 0.80 -0.09 3.49 4.71 -0.15 -4.63 120.64 123.49 2ars n GLU 55 Ca 0.11 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.16 57.10 2ars n GLU 55 Cb 0.18 -1.48 -0.14 0.00 -1.01 0.00 0.00 31.44 28.99 2ars n GLU 55 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2ars n GLU 56 N -2.50 0.99 -4.37 3.49 -0.58 -1.18 -5.01 120.64 111.48 2ars n GLU 56 Ca -0.20 -0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.34 2ars n GLU 56 Cb 0.88 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 30.18 2ars n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ars s VAL 57 N -2.50 0.95 -0.76 2.62 -7.23 -0.69 -2.78 120.40 110.02 2ars s VAL 57 Ca -0.09 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 57.94 2ars s VAL 57 Cb 0.06 -2.58 0.20 0.00 0.56 0.00 0.00 36.38 34.62 2ars s VAL 57 CO 0.75 -0.13 0.69 -0.62 -0.31 0.00 0.00 175.10 175.49 2ars s ASP 58 N -3.37 6.52 0.55 4.85 -1.08 -1.26 -4.57 116.67 118.31 2ars s ASP 58 Ca 0.34 -2.56 0.28 0.00 -0.52 0.00 0.00 52.55 50.09 2ars s ASP 58 Cb 0.07 -2.17 1.45 0.00 -1.46 0.00 0.00 42.92 40.81 2ars s ASP 58 CO 0.12 -0.60 1.96 -0.07 0.52 0.00 0.00 175.17 177.10 2ars h LEU 59 N 7.89 0.00 -0.18 -1.34 3.38 -1.95 -1.03 115.31 122.07 2ars h LEU 59 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2ars h LEU 59 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2ars h LEU 59 CO 0.79 0.00 -0.20 0.44 0.09 0.00 0.00 178.44 179.56 2ars h ASP 60 N 0.00 0.49 0.00 -0.43 3.32 -2.02 -2.22 116.42 115.56 2ars h ASP 60 Ca 0.27 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2ars h ASP 60 Cb 1.17 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2ars h ASP 60 CO -0.00 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 2ars n TYR 61 N -4.46 0.00 0.00 4.55 9.36 -0.39 -2.10 117.16 124.12 2ars n TYR 61 Ca -0.06 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 2ars n TYR 61 Cb 0.40 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 2ars n TYR 61 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2ars n LYS 63 N 0.45 0.00 0.16 2.98 4.81 -0.84 -1.80 118.16 123.92 2ars n LYS 63 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2ars n LYS 63 Cb 0.03 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.30 2ars n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2ars h LYS 64 N 0.00 0.00 -0.26 1.64 1.57 -1.69 -3.11 116.57 114.72 2ars h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ars h LYS 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ars h LYS 64 CO 0.00 0.48 0.00 0.09 -0.57 0.00 0.00 179.45 179.45 2ars n ASN 65 N -3.49 3.20 -3.14 0.86 3.02 -0.75 -4.97 115.26 110.00 2ars n ASN 65 Ca 0.00 -1.97 -0.16 0.00 -0.03 0.00 0.00 54.58 52.42 2ars n ASN 65 Cb 0.60 -0.16 0.08 0.00 -0.61 0.00 0.00 39.78 39.68 2ars n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ars n GLY 66 N 1.44 -0.27 0.00 7.41 0.00 -1.18 -5.12 105.19 107.47 2ars n GLY 66 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2ars n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ars n ILE 67 N -3.87 0.00 -3.68 -0.61 5.41 -1.26 -4.89 119.36 110.46 2ars n ILE 67 Ca -0.22 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.44 2ars n ILE 67 Cb 0.64 -0.59 -0.09 0.00 -0.71 0.00 0.00 39.64 38.88 2ars n ILE 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2ars s LEU 69 N 0.00 -0.40 0.01 1.39 2.96 -1.26 -4.56 118.68 116.82 2ars s LEU 69 Ca 0.00 1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.96 2ars s LEU 69 Cb 0.00 1.73 -0.00 0.00 0.50 0.00 0.00 46.19 48.42 2ars s LEU 69 CO 0.00 -0.21 0.13 0.00 -1.32 0.00 0.00 176.35 174.95 2ars s ALA 70 N 1.47 -0.29 -0.09 5.97 0.00 -0.52 -4.94 121.76 123.36 2ars s ALA 70 Ca -0.10 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2ars s ALA 70 Cb -0.07 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2ars s ALA 70 CO -0.15 -0.23 -0.22 0.50 0.00 0.00 0.00 175.76 175.66 2ars s ARG 71 N -1.60 2.97 0.46 0.00 3.52 -1.26 -0.93 118.95 122.11 2ars s ARG 71 Ca -0.13 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 54.67 2ars s ARG 71 Cb -0.07 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 2ars s ARG 71 CO 0.01 0.26 0.65 -0.98 -0.81 0.00 0.00 175.30 174.42 2ars s ARG 72 N 0.17 2.81 0.20 5.12 1.70 -0.57 -4.92 118.95 123.46 2ars s ARG 72 Ca -0.12 -0.90 -0.00 0.00 -0.47 0.00 0.00 55.73 54.23 2ars s ARG 72 Cb -0.16 -2.63 0.15 0.00 -0.57 0.00 0.00 34.95 31.74 2ars s ARG 72 CO 0.07 -0.38 1.51 -0.92 -1.08 0.00 0.00 175.30 174.49 2ars h TYR 73 N 0.42 0.54 -4.02 5.89 3.20 -1.92 -3.20 116.97 117.89 2ars h TYR 73 Ca -0.43 -0.20 -0.48 0.00 3.14 0.00 0.00 58.73 60.76 2ars h TYR 73 Cb 1.28 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.47 2ars h TYR 73 CO 0.40 0.91 0.28 0.95 -1.64 0.00 0.00 178.16 179.07 2ars s THR 74 N -3.85 4.63 0.00 1.81 -4.23 -1.26 -4.58 115.64 108.16 2ars s THR 74 Ca -0.06 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2ars s THR 74 Cb 0.11 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2ars s THR 74 CO 0.83 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2ars n GLY 75 N -1.54 -1.82 0.00 3.99 0.00 -1.26 -1.30 105.19 103.26 2ars n GLY 75 Ca 0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2ars n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ars n GLY 76 N 3.49 -2.20 1.80 -0.02 0.00 -1.26 -4.61 105.19 102.39 2ars n GLY 76 Ca 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 2ars n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ars n GLY 77 N -0.12 0.23 3.82 -0.02 0.00 -1.26 -3.74 105.19 104.10 2ars n GLY 77 Ca 0.00 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 2ars n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ars s ALA 78 N -3.20 3.49 0.04 4.61 0.00 -1.26 -3.70 121.76 121.74 2ars s ALA 78 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2ars s ALA 78 Cb -0.02 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2ars s ALA 78 CO 0.21 0.38 -0.04 0.14 0.00 0.00 0.00 175.76 176.45 2ars s VAL 79 N -1.45 0.27 -0.15 0.00 -7.23 -0.52 -4.98 120.40 106.34 2ars s VAL 79 Ca 0.39 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2ars s VAL 79 Cb -0.16 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2ars s VAL 79 CO 0.20 -0.61 0.10 -0.47 -0.31 0.00 0.00 175.10 174.02 2ars s TYR 80 N -2.12 3.41 0.09 2.82 5.04 -1.26 -1.04 117.35 124.29 2ars s TYR 80 Ca -0.08 0.33 0.08 0.00 -2.44 0.00 0.00 57.07 54.96 2ars s TYR 80 Cb -0.05 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 2ars s TYR 80 CO -0.03 0.45 -0.20 -1.01 -1.34 0.00 0.00 175.55 173.43 2ars s HIS 81 N -0.31 1.69 0.36 4.97 3.76 0.48 -5.01 115.29 121.23 2ars s HIS 81 Ca 0.10 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2ars s HIS 81 Cb -0.12 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.66 2ars s HIS 81 CO 0.01 0.17 0.59 0.16 -0.85 0.00 0.00 174.74 174.83 2ars s ASP 82 N -1.80 0.59 0.00 1.40 1.47 -1.23 -1.31 116.67 115.78 2ars s ASP 82 Ca 0.05 -1.36 0.07 0.00 1.18 0.00 0.00 52.55 52.49 2ars s ASP 82 Cb -0.10 0.74 0.35 0.00 -0.34 0.00 0.00 42.92 43.56 2ars s ASP 82 CO 0.04 -1.45 1.10 0.18 0.68 0.00 0.00 175.17 175.71 2ars n LEU 83 N -0.55 0.00 -0.13 2.11 4.77 -1.08 -1.12 117.00 121.00 2ars n LEU 83 Ca -0.03 0.31 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 2ars n LEU 83 Cb 0.61 -0.31 0.52 0.00 -2.33 0.00 0.00 43.42 41.91 2ars n LEU 83 CO 0.28 -0.24 0.79 0.61 -1.33 0.00 0.00 177.39 177.50 2ars n GLY 84 N -0.70 -0.93 3.81 -0.72 0.00 -1.26 -4.82 105.19 100.56 2ars n GLY 84 Ca 0.03 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2ars n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ars s ASP 85 N -2.57 6.23 -0.34 1.61 -0.00 -0.28 -1.23 116.67 120.09 2ars s ASP 85 Ca 0.25 0.35 -0.10 0.00 -0.00 0.00 0.00 52.55 53.05 2ars s ASP 85 Cb 0.20 -2.04 0.01 0.00 -0.00 0.00 0.00 42.92 41.09 2ars s ASP 85 CO 0.51 0.32 0.18 -0.22 -0.00 0.00 0.00 175.17 175.96 2ars s LEU 86 N -0.49 4.42 0.09 1.23 2.96 -1.26 -4.64 118.68 120.99 2ars s LEU 86 Ca 0.12 -0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2ars s LEU 86 Cb -0.12 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2ars s LEU 86 CO 0.02 -0.29 0.28 0.20 -1.32 0.00 0.00 176.35 175.24 2ars s ASN 87 N 1.59 6.42 -0.12 3.68 -0.87 -0.11 -4.39 114.94 121.13 2ars s ASN 87 Ca 0.03 0.41 -0.22 0.00 -1.57 0.00 0.00 52.86 51.51 2ars s ASN 87 Cb -0.18 -2.02 0.05 0.00 -0.02 0.00 0.00 41.25 39.09 2ars s ASN 87 CO 0.07 0.12 0.54 0.72 -2.57 0.00 0.00 177.10 175.98 2ars s PHE 88 N -1.56 -0.54 0.07 2.20 -0.12 -0.49 -1.09 117.98 116.46 2ars s PHE 88 Ca 0.37 1.13 0.05 0.00 -0.05 0.00 0.00 56.93 58.43 2ars s PHE 88 Cb -0.13 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2ars s PHE 88 CO 0.26 -0.41 -0.14 -1.54 -0.05 0.00 0.00 175.22 173.35 2ars s SER 89 N -0.49 1.63 -0.05 1.98 1.04 0.09 -0.20 113.70 117.70 2ars s SER 89 Ca -0.06 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2ars s SER 89 Cb -0.03 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.05 2ars s SER 89 CO 0.04 -0.09 -0.13 -0.69 0.98 0.00 0.00 173.24 173.35 2ars s VAL 90 N -1.35 1.16 -0.10 5.02 1.01 0.18 -0.61 120.40 125.71 2ars s VAL 90 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2ars s VAL 90 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2ars s VAL 90 CO 0.02 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.64 2ars s VAL 91 N 0.45 1.41 0.14 2.92 1.01 -0.15 -1.59 120.40 124.60 2ars s VAL 91 Ca -0.11 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2ars s VAL 91 Cb -0.14 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2ars s VAL 91 CO 0.03 0.42 0.17 -0.13 0.00 0.00 0.00 175.10 175.60 2ars s ARG 92 N 0.96 1.03 0.43 2.72 0.52 -1.02 -0.60 118.95 123.00 2ars s ARG 92 Ca -0.08 -1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 53.60 2ars s ARG 92 Cb -0.15 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 35.55 2ars s ARG 92 CO -0.01 -0.34 1.23 -1.12 0.02 0.00 0.00 175.30 175.08 2ars s SER 93 N -3.00 6.26 -0.01 0.23 0.01 -1.26 -1.61 113.70 114.32 2ars s SER 93 Ca 0.20 2.48 0.04 0.00 1.31 0.00 0.00 55.95 59.97 2ars s SER 93 Cb 0.05 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2ars s SER 93 CO 0.00 -0.87 -0.13 -0.55 0.41 0.00 0.00 173.24 172.10 2ars s SER 94 N -1.03 1.56 0.00 2.44 0.15 -0.88 -4.76 113.70 111.17 2ars s SER 94 Ca 0.60 -0.24 0.13 0.00 0.70 0.00 0.00 55.95 57.13 2ars s SER 94 Cb -0.34 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.81 2ars s SER 94 CO 0.42 0.16 0.78 0.47 1.20 0.00 0.00 173.24 176.26 2ars n ASP 95 N 2.79 1.59 0.00 5.45 8.00 -1.26 -3.59 116.55 129.53 2ars n ASP 95 Ca -0.14 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2ars n ASP 95 Cb 0.55 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 2ars n ASP 95 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ars n ASP 96 N 0.08 0.00 0.00 -2.24 3.85 -1.26 -5.05 116.55 111.93 2ars n ASP 96 Ca 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.14 2ars n ASP 96 Cb 0.28 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 2ars n ASP 96 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2ars n ASP 98 N 0.00 0.00 0.03 -1.12 -0.08 -1.26 -4.88 116.55 109.24 2ars n ASP 98 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2ars n ASP 98 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2ars n ASP 98 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2ars h ILE 99 N 0.00 1.04 -0.87 5.18 1.08 -2.03 -3.02 117.51 118.89 2ars h ILE 99 Ca 0.00 -0.10 0.11 0.00 -0.39 0.00 0.00 64.86 64.48 2ars h ILE 99 Cb 0.00 1.07 -0.08 0.00 -3.07 0.00 0.00 36.82 34.74 2ars h ILE 99 CO 0.00 0.03 0.50 0.74 -0.69 0.00 0.00 178.15 178.73 2ars h THR 100 N -0.01 0.88 0.00 -0.27 2.02 -2.05 -2.41 112.91 111.07 2ars h THR 100 Ca 0.01 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2ars h THR 100 Cb 0.04 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2ars h THR 100 CO -0.00 0.15 0.00 -0.24 0.37 0.00 0.00 175.52 175.80 2ars n SER 101 N -4.74 0.80 0.00 4.18 2.88 -1.14 -1.37 113.62 114.23 2ars n SER 101 Ca 0.16 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2ars n SER 101 Cb 0.33 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2ars n SER 101 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2ars n PHE 103 N 0.78 0.00 -0.16 0.66 3.72 -0.91 -1.17 117.46 120.38 2ars n PHE 103 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2ars n PHE 103 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2ars n PHE 103 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2ars h ARG 104 N 0.00 0.72 -0.78 -1.08 2.43 -1.49 -0.65 114.38 113.53 2ars h ARG 104 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2ars h ARG 104 Cb 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2ars h ARG 104 CO 0.00 0.68 0.00 2.41 -1.51 0.00 0.00 179.97 181.55 2ars n THR 105 N -4.54 0.09 0.00 0.20 -1.04 -0.32 -1.68 114.28 106.99 2ars n THR 105 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2ars n THR 105 Cb 0.18 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2ars n THR 105 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ars n ASN 107 N 0.55 0.00 -0.23 8.00 3.02 -0.25 -2.06 115.26 124.29 2ars n ASN 107 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 2ars n ASN 107 Cb 0.09 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 2ars n ASN 107 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ars h GLU 108 N 0.00 1.03 -0.66 3.52 4.81 -1.57 0.92 114.58 122.63 2ars h GLU 108 Ca 0.00 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2ars h GLU 108 Cb 0.00 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2ars h GLU 108 CO 0.00 0.93 0.20 0.00 -0.73 0.00 0.00 179.01 179.42 2ars h ALA 109 N 1.05 0.86 -0.18 2.92 0.00 -1.69 -1.93 119.26 120.29 2ars h ALA 109 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ars h ALA 109 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ars h ALA 109 CO 0.00 0.54 0.03 0.28 0.00 0.00 0.00 179.25 180.10 2ars h VAL 110 N 0.95 1.22 -0.51 0.00 2.07 -1.73 -1.70 116.25 116.54 2ars h VAL 110 Ca 0.21 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2ars h VAL 110 Cb 0.30 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2ars h VAL 110 CO -0.01 0.22 0.22 0.58 0.02 0.00 0.00 177.57 178.60 2ars h VAL 111 N 0.08 0.88 -0.91 2.57 2.07 -0.70 -0.77 116.25 119.47 2ars h VAL 111 Ca 0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2ars h VAL 111 Cb 0.31 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2ars h VAL 111 CO 0.00 0.08 0.52 0.78 0.02 0.00 0.00 177.57 178.97 2ars h ASN 112 N 0.42 1.11 -0.00 0.57 2.35 -1.25 -0.78 115.58 117.99 2ars h ASN 112 Ca 0.24 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2ars h ASN 112 Cb 0.22 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2ars h ASN 112 CO -0.21 0.87 0.00 0.28 -1.65 0.00 0.00 177.43 176.72 2ars h SER 113 N 1.26 0.01 0.24 5.81 0.02 -0.35 -2.90 113.55 117.63 2ars h SER 113 Ca 0.32 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2ars h SER 113 Cb -0.02 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2ars h SER 113 CO -0.06 0.16 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.46 2ars h LEU 114 N -0.15 0.05 -1.50 5.07 3.38 -0.97 -2.06 115.31 119.13 2ars h LEU 114 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ars h LEU 114 Cb 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2ars h LEU 114 CO -0.00 0.32 0.25 -0.09 0.09 0.00 0.00 178.44 179.01 2ars h ARG 115 N 0.05 0.59 -0.89 1.13 2.43 -0.95 -0.83 114.38 115.91 2ars h ARG 115 Ca 0.01 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2ars h ARG 115 Cb 0.50 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 2ars h ARG 115 CO 0.04 0.42 0.57 0.82 -1.51 0.00 0.00 179.97 180.31 2ars h ILE 116 N 0.60 1.03 -0.26 1.20 1.08 -1.20 -1.00 117.51 118.96 2ars h ILE 116 Ca 0.16 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2ars h ILE 116 Cb -0.01 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 2ars h ILE 116 CO -0.03 0.18 0.00 0.18 -0.69 0.00 0.00 178.15 177.79 2ars n LEU 117 N -4.50 1.74 -0.07 1.44 4.77 -0.41 -4.92 117.00 115.06 2ars n LEU 117 Ca 0.14 -0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 55.30 2ars n LEU 117 Cb 0.24 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2ars n LEU 117 CO 0.32 0.40 -0.01 0.61 -1.33 0.00 0.00 177.39 177.39 2ars n GLY 118 N 1.09 0.46 3.28 -0.72 0.00 -0.38 -4.95 105.19 103.97 2ars n GLY 118 Ca 0.14 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 2ars n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ars s LEU 119 N -0.20 3.82 -0.31 0.99 0.20 -0.65 -5.00 118.68 117.53 2ars s LEU 119 Ca 0.00 -0.89 -0.27 0.00 0.69 0.00 0.00 54.13 53.66 2ars s LEU 119 Cb 0.00 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2ars s LEU 119 CO 0.00 -0.22 0.97 -0.62 -0.29 0.00 0.00 176.35 176.19 2ars s ASP 120 N 1.42 6.85 0.35 3.68 3.68 -1.26 -3.40 116.67 127.98 2ars s ASP 120 Ca 0.00 0.93 0.04 0.00 2.13 0.00 0.00 52.55 55.66 2ars s ASP 120 Cb -0.18 -2.49 -0.07 0.00 -1.45 0.00 0.00 42.92 38.73 2ars s ASP 120 CO 0.01 -0.77 0.05 0.00 0.13 0.00 0.00 175.17 174.59 2ars s ALA 121 N 3.37 2.55 0.06 3.66 0.00 -1.26 -4.49 121.76 125.64 2ars s ALA 121 Ca 0.41 -2.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.05 2ars s ALA 121 Cb -0.13 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.61 2ars s ALA 121 CO 0.14 -0.27 0.56 -0.98 0.00 0.00 0.00 175.76 175.20 2ars s ARG 122 N -3.85 1.09 0.64 0.00 1.70 -1.26 -4.92 118.95 112.35 2ars s ARG 122 Ca 0.36 -0.23 -0.14 0.00 -0.47 0.00 0.00 55.73 55.25 2ars s ARG 122 Cb 0.09 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 2ars s ARG 122 CO 0.16 -0.41 1.07 -2.14 -1.08 0.00 0.00 175.30 172.90 2ars s PRO 123 N -2.59 3.06 1.23 3.89 0.02 -1.26 -4.41 135.00 134.94 2ars s PRO 123 Ca -0.04 1.21 -0.19 0.00 0.02 0.00 0.00 61.00 62.00 2ars s PRO 123 Cb -0.01 -2.00 0.30 0.00 0.02 0.00 0.00 34.50 32.81 2ars s PRO 123 CO -0.03 -1.02 1.07 0.20 -0.33 0.00 0.00 177.00 176.89 2ars s GLY 124 N -2.92 1.54 -0.00 0.52 0.00 -0.30 -4.95 107.32 101.22 2ars s GLY 124 Ca 0.63 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.56 2ars s GLY 124 CO 0.42 0.04 0.15 -1.84 0.00 0.00 0.00 173.10 171.87 2ars n GLU 125 N -4.91 3.67 -3.95 2.90 0.28 -0.75 -3.87 120.64 114.02 2ars n GLU 125 Ca 0.12 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.79 2ars n GLU 125 Cb 0.59 -0.84 -0.05 0.00 1.43 0.00 0.00 31.44 32.57 2ars n GLU 125 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ars s LEU 126 N -2.59 4.24 -1.01 -1.84 1.43 -0.25 -4.70 118.68 113.96 2ars s LEU 126 Ca 0.00 0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2ars s LEU 126 Cb 0.03 -2.71 0.25 0.00 0.03 0.00 0.00 46.19 43.79 2ars s LEU 126 CO 0.17 0.21 0.98 0.20 0.23 0.00 0.00 176.35 178.14 2ars s ASN 127 N -2.23 6.90 -0.29 2.29 0.01 -1.26 -1.06 114.94 119.29 2ars s ASN 127 Ca 0.30 -3.50 0.02 0.00 -0.71 0.00 0.00 52.86 48.98 2ars s ASN 127 Cb -0.13 -2.13 0.16 0.00 0.41 0.00 0.00 41.25 39.56 2ars s ASN 127 CO 0.23 -0.30 0.39 -0.62 -1.51 0.00 0.00 177.10 175.29 2ars s ASP 128 N 1.07 0.62 0.55 -1.22 -1.08 -1.26 -5.01 116.67 110.33 2ars s ASP 128 Ca 0.28 -0.48 0.37 0.00 -0.52 0.00 0.00 52.55 52.20 2ars s ASP 128 Cb -0.10 1.00 1.98 0.00 -1.46 0.00 0.00 42.92 44.34 2ars s ASP 128 CO -0.09 -0.36 2.13 1.62 0.52 0.00 0.00 175.17 178.99 2ars h VAL 129 N 6.15 0.00 0.00 1.11 3.04 -2.02 -2.86 116.25 121.67 2ars h VAL 129 Ca -0.09 -0.03 -0.10 0.00 -1.01 0.00 0.00 66.70 65.47 2ars h VAL 129 Cb 1.11 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2ars h VAL 129 CO 0.27 0.00 -0.73 0.77 -1.01 0.00 0.00 177.57 176.87 2ars h SER 130 N 0.00 0.00 -3.99 3.17 4.64 -1.98 -3.38 113.55 112.00 2ars h SER 130 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2ars h SER 130 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ars h SER 130 CO 0.00 0.44 0.38 0.27 -0.87 0.00 0.00 176.83 177.05 2ars s ILE 131 N -3.01 3.93 0.23 0.95 -4.36 -1.08 -4.99 121.20 112.87 2ars s ILE 131 Ca 0.02 1.38 -0.06 0.00 -0.26 0.00 0.00 60.65 61.74 2ars s ILE 131 Cb 0.08 -3.67 0.13 0.00 1.25 0.00 0.00 42.46 40.25 2ars s ILE 131 CO 0.76 -0.08 1.75 1.55 0.24 0.00 0.00 174.94 179.15 2ars h PRO 132 N 2.29 1.02 -4.44 0.37 0.13 -1.90 -3.47 132.00 126.01 2ars h PRO 132 Ca -0.48 -0.24 -0.26 0.00 -0.87 0.00 0.00 66.00 64.14 2ars h PRO 132 Cb 1.21 -0.14 -0.13 0.00 0.13 0.00 0.00 31.00 32.07 2ars h PRO 132 CO 0.62 0.92 -0.45 0.14 -0.23 0.00 0.00 178.00 179.00 2ars s VAL 133 N -5.24 0.00 -1.09 1.56 -7.23 -1.26 -4.92 120.40 102.21 2ars s VAL 133 Ca -0.11 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2ars s VAL 133 Cb 0.15 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2ars s VAL 133 CO 0.83 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 172.42 2ars n ASN 134 N -0.72 -4.00 -4.91 4.85 5.15 -1.26 -4.98 115.26 109.39 2ars n ASN 134 Ca 0.02 0.02 -0.28 0.00 -0.60 0.00 0.00 54.58 53.75 2ars n ASN 134 Cb 0.64 -3.13 -0.03 0.00 -0.53 0.00 0.00 39.78 36.73 2ars n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ars s LYS 135 N -4.45 3.61 0.31 1.20 1.02 -1.26 -1.09 119.74 119.08 2ars s LYS 135 Ca 0.00 -0.01 0.23 0.00 0.02 0.00 0.00 55.97 56.21 2ars s LYS 135 Cb 0.00 -2.62 1.13 0.00 -0.52 0.00 0.00 37.83 35.82 2ars s LYS 135 CO 0.00 0.17 1.70 1.63 -0.92 0.00 0.00 175.35 177.93 2ars n LYS 136 N -1.13 0.17 0.00 1.68 5.02 -0.23 -0.63 118.16 123.04 2ars n LYS 136 Ca -0.02 0.56 0.12 0.00 -2.02 0.00 0.00 58.31 56.96 2ars n LYS 136 Cb 0.54 -1.94 0.30 0.00 -0.02 0.00 0.00 35.03 33.91 2ars n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ars n THR 137 N -2.28 0.00 -3.29 -0.18 -2.24 -1.26 -4.37 114.28 100.66 2ars n THR 137 Ca -0.00 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2ars n THR 137 Cb 0.11 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2ars n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ars s ASP 138 N -2.92 6.32 0.46 3.42 1.01 0.20 -2.96 116.67 122.19 2ars s ASP 138 Ca 0.13 0.55 0.05 0.00 0.71 0.00 0.00 52.55 53.99 2ars s ASP 138 Cb 0.18 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2ars s ASP 138 CO 0.66 -0.31 0.09 -0.63 0.21 0.00 0.00 175.17 175.19 2ars s ILE 139 N -2.32 1.78 -0.37 0.77 -1.09 -1.26 -1.15 121.20 117.56 2ars s ILE 139 Ca 0.41 -1.88 0.04 0.00 -2.23 0.00 0.00 60.65 56.99 2ars s ILE 139 Cb -0.10 -2.65 0.19 0.00 -1.58 0.00 0.00 42.46 38.31 2ars s ILE 139 CO 0.36 0.00 0.71 0.00 -1.23 0.00 0.00 174.94 174.78 2ars s ALA 141 N -2.74 -2.81 0.00 9.38 0.00 0.10 -1.76 121.76 123.93 2ars s ALA 141 Ca 0.27 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2ars s ALA 141 Cb 0.05 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2ars s ALA 141 CO 0.15 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2ars n GLY 142 N 4.55 2.06 0.53 0.00 0.00 -1.26 -2.36 105.19 108.71 2ars n GLY 142 Ca 0.09 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2ars n GLY 142 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ars n GLU 143 N 6.60 2.56 -4.33 1.61 -0.58 -1.26 -4.98 120.64 120.27 2ars n GLU 143 Ca 0.00 -1.86 -0.35 0.00 -0.42 0.00 0.00 57.16 54.54 2ars n GLU 143 Cb 0.00 -1.22 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2ars n GLU 143 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ars s LYS 144 N -0.97 3.25 0.01 3.49 -0.14 -0.99 -4.78 119.74 119.60 2ars s LYS 144 Ca 0.19 -0.42 -0.25 0.00 -1.36 0.00 0.00 55.97 54.13 2ars s LYS 144 Cb 0.10 -2.87 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 2ars s LYS 144 CO 0.13 0.56 0.78 0.21 -0.76 0.00 0.00 175.35 176.28 2ars s LYS 145 N -0.48 4.50 -0.12 1.68 2.20 0.20 0.01 119.74 127.73 2ars s LYS 145 Ca 0.09 1.08 0.17 0.00 -0.36 0.00 0.00 55.97 56.94 2ars s LYS 145 Cb -0.12 -3.40 0.27 0.00 -1.51 0.00 0.00 37.83 33.07 2ars s LYS 145 CO 0.02 0.18 1.14 0.44 -0.36 0.00 0.00 175.35 176.77 2ars n ILE 146 N 3.21 1.69 -3.48 5.43 -5.35 -0.72 -1.01 119.36 119.13 2ars n ILE 146 Ca -0.01 -2.06 -0.12 0.00 -0.27 0.00 0.00 62.75 60.29 2ars n ILE 146 Cb 0.51 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.23 2ars n ILE 146 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ars s GLY 148 N -2.69 -0.53 0.16 3.28 0.00 -1.03 -0.51 107.32 106.00 2ars s GLY 148 Ca 0.29 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 45.23 2ars s GLY 148 CO 0.02 0.04 0.38 0.00 0.00 0.00 0.00 173.10 173.54 2ars s ALA 149 N -3.76 -0.51 0.22 3.20 0.00 -1.15 -1.53 121.76 118.22 2ars s ALA 149 Ca 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 2ars s ALA 149 Cb -0.00 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 2ars s ALA 149 CO -0.13 -0.69 0.44 0.00 0.00 0.00 0.00 175.76 175.39 2ars s ALA 150 N -3.90 -0.26 0.21 0.00 0.00 -0.59 -4.87 121.76 112.36 2ars s ALA 150 Ca 0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2ars s ALA 150 Cb 0.02 1.01 0.06 0.00 0.00 0.00 0.00 23.12 24.20 2ars s ALA 150 CO -0.04 -0.80 0.91 0.20 0.00 0.00 0.00 175.76 176.03 2ars s GLY 151 N -2.99 -0.05 0.19 0.00 0.00 -1.26 -1.68 107.32 101.52 2ars s GLY 151 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 2ars s GLY 151 CO 0.06 0.43 0.28 0.00 0.00 0.00 0.00 173.10 173.87 2ars n ALA 152 N -0.52 -0.28 0.00 3.20 0.00 -0.10 -4.49 120.51 118.32 2ars n ALA 152 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2ars n ALA 152 Cb 0.60 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.73 2ars n ALA 152 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ars n ARG 154 N -0.31 0.00 -1.68 0.00 1.85 -0.54 -0.18 116.66 115.81 2ars n ARG 154 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 2ars n ARG 154 Cb 0.31 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.69 2ars n ARG 154 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ars n LYS 155 N -0.41 2.48 0.00 2.89 4.81 -1.26 -2.00 118.16 124.67 2ars n LYS 155 Ca 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 2ars n LYS 155 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.28 2ars n LYS 155 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ars n GLY 156 N 4.20 3.28 3.47 3.14 0.00 -1.24 -4.96 105.19 113.08 2ars n GLY 156 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2ars n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ars s ALA 157 N -2.38 -0.68 -0.07 4.61 0.00 -0.85 -2.07 121.76 120.33 2ars s ALA 157 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 2ars s ALA 157 Cb 0.00 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2ars s ALA 157 CO 0.00 -0.76 0.25 -1.59 0.00 0.00 0.00 175.76 173.66 2ars s LYS 158 N -3.90 0.40 -0.06 0.00 -2.85 -0.63 -1.46 119.74 111.23 2ars s LYS 158 Ca 0.11 0.13 0.05 0.00 -1.00 0.00 0.00 55.97 55.26 2ars s LYS 158 Cb 0.00 0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 2ars s LYS 158 CO -0.02 -0.08 -0.22 -1.17 0.10 0.00 0.00 175.35 173.97 2ars s LEU 159 N -0.39 2.28 -0.02 2.77 2.96 0.75 -2.43 118.68 124.60 2ars s LEU 159 Ca -0.05 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2ars s LEU 159 Cb -0.03 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.25 2ars s LEU 159 CO 0.01 0.26 0.03 0.86 -1.32 0.00 0.00 176.35 176.19 2ars s TRP 160 N -0.26 0.03 -0.00 5.38 -0.00 -0.62 -0.92 118.94 122.56 2ars s TRP 160 Ca -0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 56.10 56.19 2ars s TRP 160 Cb -0.13 -0.24 -0.00 0.00 -0.00 0.00 0.00 33.47 33.10 2ars s TRP 160 CO 0.03 -0.09 0.06 -3.38 -0.00 0.00 0.00 176.95 173.57 2ars s HIS 161 N 1.07 0.08 0.13 5.86 -3.43 -0.68 0.49 115.29 118.81 2ars s HIS 161 Ca -0.09 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2ars s HIS 161 Cb -0.13 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.91 2ars s HIS 161 CO -0.03 -0.17 0.01 0.00 -2.00 0.00 0.00 174.74 172.54 2ars s ALA 162 N -0.95 1.01 0.37 -1.38 0.00 0.73 -1.54 121.76 120.00 2ars s ALA 162 Ca -0.10 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.44 2ars s ALA 162 Cb -0.06 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2ars s ALA 162 CO 0.00 -0.37 0.15 0.00 0.00 0.00 0.00 175.76 175.54 2ars s ALA 163 N -3.82 2.55 -0.20 0.00 0.00 -0.58 -1.39 121.76 118.31 2ars s ALA 163 Ca 0.20 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 2ars s ALA 163 Cb 0.07 0.93 0.07 0.00 0.00 0.00 0.00 23.12 24.18 2ars s ALA 163 CO -0.00 -0.42 0.08 -0.51 0.00 0.00 0.00 175.76 174.91 2ars s LEU 165 N -3.52 0.69 -0.23 0.00 1.43 0.33 -2.47 118.68 114.91 2ars s LEU 165 Ca 0.29 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 2ars s LEU 165 Cb 0.03 -0.38 -0.09 0.00 0.03 0.00 0.00 46.19 45.78 2ars s LEU 165 CO 0.17 -0.35 -0.34 0.52 0.23 0.00 0.00 176.35 176.57 2ars n VAL 166 N 5.19 1.48 -2.70 -1.59 0.31 -0.73 -0.64 118.33 119.65 2ars n VAL 166 Ca -0.07 -0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 2ars n VAL 166 Cb 0.47 -2.04 0.08 0.00 -0.91 0.00 0.00 33.84 31.44 2ars n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ars n HIS 167 N -4.29 -0.58 -2.15 3.52 1.44 -0.37 -2.35 115.22 110.44 2ars n HIS 167 Ca -0.38 -2.22 -0.31 0.00 -2.01 0.00 0.00 57.72 52.80 2ars n HIS 167 Cb 0.73 0.63 -0.01 0.00 0.12 0.00 0.00 29.99 31.46 2ars n HIS 167 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2ars s THR 168 N -1.58 4.67 -0.90 0.61 -1.32 -1.23 -4.48 115.64 111.42 2ars s THR 168 Ca 0.22 0.92 -0.25 0.00 -1.21 0.00 0.00 61.69 61.38 2ars s THR 168 Cb 0.42 -3.81 0.03 0.00 -1.51 0.00 0.00 72.50 67.62 2ars s THR 168 CO -0.04 -0.94 1.50 -0.62 -2.21 0.00 0.00 174.62 172.31 2ars s ASP 169 N -3.77 6.13 0.52 8.08 -1.08 -1.26 -4.82 116.67 120.47 2ars s ASP 169 Ca 0.55 -0.95 0.18 0.00 -0.52 0.00 0.00 52.55 51.81 2ars s ASP 169 Cb -0.11 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 40.09 2ars s ASP 169 CO 0.45 -1.83 2.13 -0.07 0.52 0.00 0.00 175.17 176.37 2ars h LEU 170 N 13.84 0.00 -0.77 -1.34 3.38 -2.00 -0.75 115.31 127.67 2ars h LEU 170 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ars h LEU 170 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2ars h LEU 170 CO 1.34 0.04 0.00 0.47 0.09 0.00 0.00 178.44 180.38 2ars n ASP 171 N -4.38 0.30 0.00 -0.43 10.43 -1.26 -1.98 116.55 119.24 2ars n ASP 171 Ca -0.03 -0.79 0.00 0.00 2.57 0.00 0.00 54.79 56.54 2ars n ASP 171 Cb 0.12 -0.15 0.00 0.00 1.84 0.00 0.00 41.12 42.93 2ars n ASP 171 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2ars n LEU 173 N 0.12 0.00 0.01 0.64 0.00 -0.29 -0.69 117.00 116.79 2ars n LEU 173 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 2ars n LEU 173 Cb 0.08 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.62 2ars n LEU 173 CO 0.00 0.00 0.60 0.28 0.00 0.00 0.00 177.39 178.27 2ars h SER 174 N 0.00 0.53 0.85 1.96 0.02 -1.67 -2.95 113.55 112.28 2ars h SER 174 Ca 0.00 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 2ars h SER 174 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2ars h SER 174 CO 0.00 0.88 -0.43 0.00 -1.14 0.00 0.00 176.83 176.14 2ars h ALA 175 N 1.14 0.96 0.06 3.77 0.00 -1.18 -3.26 119.26 120.76 2ars h ALA 175 Ca 0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 54.91 54.25 2ars h ALA 175 Cb 0.90 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2ars h ALA 175 CO 0.08 0.53 -1.63 0.28 0.00 0.00 0.00 179.25 178.51 2ars h VAL 176 N 0.00 0.99 -3.55 0.00 2.07 -1.81 -3.45 116.25 110.50 2ars h VAL 176 Ca -0.00 -2.74 -0.57 0.00 0.82 0.00 0.00 66.70 64.21 2ars h VAL 176 Cb 0.97 2.59 -0.07 0.00 -1.52 0.00 0.00 31.29 33.26 2ars h VAL 176 CO 0.06 0.72 0.88 -0.76 0.02 0.00 0.00 177.57 178.48 2ars s LEU 177 N -6.61 3.77 -1.07 2.57 1.43 -1.12 -4.37 118.68 113.29 2ars s LEU 177 Ca -0.09 0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 2ars s LEU 177 Cb 0.08 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2ars s LEU 177 CO 0.82 -1.09 1.85 -0.54 0.23 0.00 0.00 176.35 177.63 2ars s LYS 178 N 4.09 2.83 0.00 1.70 1.02 -1.12 -4.91 119.74 123.36 2ars s LYS 178 Ca 0.46 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2ars s LYS 178 Cb -0.09 -5.22 0.00 0.00 -0.52 0.00 0.00 37.83 31.99 2ars s LYS 178 CO 0.25 -3.32 0.00 0.45 -0.92 0.00 0.00 175.35 171.81 2ars n SER 191 N 12.82 0.00 -0.17 2.83 2.88 -1.26 -5.09 113.62 125.64 2ars n SER 191 Ca 0.42 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.91 2ars n SER 191 Cb 0.47 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.98 2ars n SER 191 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2ars h THR 192 N 0.00 1.00 -0.34 2.46 2.02 -1.99 0.32 112.91 116.38 2ars h THR 192 Ca 0.00 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.02 2ars h THR 192 Cb 0.00 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2ars h THR 192 CO 0.00 0.10 0.23 -0.09 0.37 0.00 0.00 175.52 176.13 2ars h ARG 193 N 0.55 0.33 0.00 6.66 9.65 -1.94 0.88 114.38 130.51 2ars h ARG 193 Ca 0.22 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2ars h ARG 193 Cb 0.09 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2ars h ARG 193 CO -0.13 0.22 0.00 0.39 2.80 0.00 0.00 179.97 183.25 2ars n GLU 194 N -4.49 0.97 -0.03 0.20 1.02 0.06 -3.17 120.64 115.20 2ars n GLU 194 Ca 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2ars n GLU 194 Cb 0.16 -1.36 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2ars n GLU 194 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2ars n ARG 195 N -0.86 0.82 -4.29 3.49 3.00 0.30 -4.88 116.66 114.24 2ars n ARG 195 Ca 0.17 -1.22 -0.16 0.00 -0.00 0.00 0.00 57.85 56.64 2ars n ARG 195 Cb 0.08 -1.17 -0.10 0.00 0.00 0.00 0.00 32.46 31.27 2ars n ARG 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2ars s VAL 196 N -0.77 1.30 0.18 5.15 -7.23 -1.19 -0.63 120.40 117.20 2ars s VAL 196 Ca 0.12 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 2ars s VAL 196 Cb 0.07 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 35.06 2ars s VAL 196 CO 0.11 -0.63 0.55 0.00 -0.31 0.00 0.00 175.10 174.82 2ars s ALA 197 N -3.25 -1.23 0.12 1.32 0.00 -0.18 -4.75 121.76 113.79 2ars s ALA 197 Ca 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2ars s ALA 197 Cb 0.02 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2ars s ALA 197 CO 0.04 -0.78 0.30 -0.80 0.00 0.00 0.00 175.76 174.51 2ars s ASN 198 N -2.81 6.41 0.37 0.00 0.02 -1.26 -4.27 114.94 113.39 2ars s ASN 198 Ca 0.05 0.39 0.04 0.00 -1.02 0.00 0.00 52.86 52.32 2ars s ASN 198 Cb -0.01 -2.01 0.70 0.00 0.02 0.00 0.00 41.25 39.95 2ars s ASN 198 CO -0.08 0.09 2.00 0.58 0.02 0.00 0.00 177.10 179.71 2ars h VAL 199 N 1.96 1.15 0.00 1.60 2.07 -0.86 -0.73 116.25 121.43 2ars h VAL 199 Ca -0.46 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2ars h VAL 199 Cb 1.17 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2ars h VAL 199 CO 0.73 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.83 2ars n THR 200 N -4.42 0.30 0.27 2.57 -2.24 -0.99 -1.39 114.28 108.37 2ars n THR 200 Ca 0.04 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 2ars n THR 200 Cb 0.08 -0.81 0.24 0.00 -2.10 0.00 0.00 70.33 67.74 2ars n THR 200 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2ars h ASP 201 N 0.00 0.00 0.00 3.42 3.32 -1.40 -3.37 116.42 118.38 2ars h ASP 201 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2ars h ASP 201 Cb 0.08 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2ars h ASP 201 CO 0.00 0.00 -2.06 0.49 -1.72 0.00 0.00 179.24 175.95 2ars n PHE 202 N -2.99 0.00 -4.46 4.55 3.72 -0.49 -5.02 117.46 112.77 2ars n PHE 202 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 2ars n PHE 202 Cb 0.50 -0.68 -0.16 0.00 -0.94 0.00 0.00 39.48 38.19 2ars n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2ars s VAL 203 N -2.35 0.94 -1.07 -4.37 -7.23 -0.55 -5.08 120.40 100.69 2ars s VAL 203 Ca -0.26 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 2ars s VAL 203 Cb 0.10 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 36.20 2ars s VAL 203 CO 0.34 0.31 1.60 -0.62 -0.31 0.00 0.00 175.10 176.42 2ars s ASP 204 N 0.66 6.33 0.10 4.85 2.15 -1.26 -3.83 116.67 125.67 2ars s ASP 204 Ca -0.12 -1.58 0.05 0.00 0.43 0.00 0.00 52.55 51.33 2ars s ASP 204 Cb -0.15 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2ars s ASP 204 CO 0.02 -1.67 -0.14 0.68 -0.17 0.00 0.00 175.17 173.90 2ars s VAL 205 N 5.76 1.22 0.70 1.11 -7.23 -1.26 -5.13 120.40 115.57 2ars s VAL 205 Ca 0.52 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2ars s VAL 205 Cb -0.00 -1.35 0.08 0.00 0.56 0.00 0.00 36.38 35.67 2ars s VAL 205 CO -0.04 -0.36 1.00 -0.94 -0.31 0.00 0.00 175.10 174.45 2ars s SER 206 N -2.19 4.66 0.17 4.85 1.04 -1.26 -4.87 113.70 116.10 2ars s SER 206 Ca 0.05 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.57 2ars s SER 206 Cb -0.07 -0.82 0.07 0.00 0.10 0.00 0.00 66.02 65.30 2ars s SER 206 CO 0.02 -1.67 1.78 0.40 0.98 0.00 0.00 173.24 174.75 2ars h ILE 207 N -0.57 1.19 -0.28 -1.02 1.08 -1.99 -2.06 117.51 113.86 2ars h ILE 207 Ca -0.43 -0.49 -0.05 0.00 -0.39 0.00 0.00 64.86 63.51 2ars h ILE 207 Cb 1.30 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2ars h ILE 207 CO 0.54 0.21 -0.04 0.44 -0.69 0.00 0.00 178.15 178.60 2ars h ASP 208 N 0.76 0.40 -0.51 1.72 3.32 -1.98 0.12 116.42 120.26 2ars h ASP 208 Ca 0.20 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 2ars h ASP 208 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2ars h ASP 208 CO -0.03 0.50 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.50 2ars h GLU 209 N 0.41 1.01 -0.46 3.56 5.08 -1.83 0.31 114.58 122.66 2ars h GLU 209 Ca 0.09 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2ars h GLU 209 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2ars h GLU 209 CO 0.01 1.09 -0.05 0.28 -1.00 0.00 0.00 179.01 179.34 2ars h VAL 210 N 0.88 1.27 -0.07 3.13 2.07 -0.80 -1.82 116.25 120.91 2ars h VAL 210 Ca 0.13 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2ars h VAL 210 Cb 0.73 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2ars h VAL 210 CO 0.06 0.39 -0.00 -0.09 0.02 0.00 0.00 177.57 177.95 2ars h ARG 211 N 0.69 0.02 -0.12 1.57 2.43 -0.54 -1.01 114.38 117.42 2ars h ARG 211 Ca 0.12 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2ars h ARG 211 Cb 0.58 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2ars h ARG 211 CO 0.03 0.01 -0.08 -0.91 -1.51 0.00 0.00 179.97 177.52 2ars h ASN 212 N 0.02 0.16 -0.30 -3.80 2.35 -0.84 0.46 115.58 113.62 2ars h ASN 212 Ca 0.03 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2ars h ASN 212 Cb 0.04 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2ars h ASN 212 CO -0.06 0.27 -0.45 0.00 -1.65 0.00 0.00 177.43 175.54 2ars h ALA 213 N 1.76 0.46 -0.45 -0.83 0.00 -0.91 -2.18 119.26 117.10 2ars h ALA 213 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2ars h ALA 213 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ars h ALA 213 CO 0.01 0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 179.70 2ars h LEU 214 N 0.60 0.78 -0.34 0.00 3.38 -0.47 0.13 115.31 119.40 2ars h LEU 214 Ca 0.03 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2ars h LEU 214 Cb 1.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2ars h LEU 214 CO 0.10 0.91 0.21 0.40 0.09 0.00 0.00 178.44 180.15 2ars h ILE 215 N 0.72 1.07 -0.04 1.22 2.04 -0.80 -0.43 117.51 121.29 2ars h ILE 215 Ca 0.12 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2ars h ILE 215 Cb 0.58 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2ars h ILE 215 CO 0.04 0.08 0.01 0.03 0.00 0.00 0.00 178.15 178.31 2ars h ARG 216 N 0.44 0.07 -0.37 2.37 3.08 -0.97 -1.03 114.38 117.96 2ars h ARG 216 Ca 0.13 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2ars h ARG 216 Cb -0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2ars h ARG 216 CO -0.04 0.23 0.14 0.78 -1.07 0.00 0.00 179.97 180.01 2ars h GLY 217 N -0.11 0.47 0.96 0.04 0.00 -0.58 0.66 103.07 104.51 2ars h GLY 217 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2ars h GLY 217 CO -0.00 0.05 -0.19 0.74 0.00 0.00 0.00 176.54 177.13 2ars h PHE 218 N 0.31 0.82 -0.33 5.60 -1.00 -1.07 0.92 116.94 122.19 2ars h PHE 218 Ca 0.16 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.74 2ars h PHE 218 Cb 0.12 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2ars h PHE 218 CO -0.13 0.94 0.19 0.77 -1.61 0.00 0.00 178.31 178.47 2ars h SER 219 N 0.48 0.31 -0.32 2.17 0.02 -0.96 0.32 113.55 115.57 2ars h SER 219 Ca 0.07 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2ars h SER 219 Cb 0.74 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2ars h SER 219 CO 0.06 0.22 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.54 2ars h GLU 220 N 0.39 0.63 -0.13 3.45 5.08 -0.80 0.31 114.58 123.50 2ars h GLU 220 Ca 0.13 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2ars h GLU 220 Cb 0.00 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2ars h GLU 220 CO -0.06 0.82 -0.50 1.15 -1.00 0.00 0.00 179.01 179.42 2ars h THR 221 N 0.40 1.35 0.00 1.13 2.02 -0.64 -3.26 112.91 113.90 2ars h THR 221 Ca 0.08 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2ars h THR 221 Cb 0.60 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2ars h THR 221 CO 0.04 0.54 -0.55 0.18 0.37 0.00 0.00 175.52 176.10 2ars n LEU 222 N -4.21 0.62 -2.77 2.58 4.77 0.11 -4.95 117.00 113.16 2ars n LEU 222 Ca -0.07 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 2ars n LEU 222 Cb 0.60 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2ars n LEU 222 CO 0.47 -0.02 0.15 1.41 -1.33 0.00 0.00 177.39 178.07 2ars n HIS 223 N -1.95 -1.95 -5.23 -1.77 8.25 1.00 -5.02 115.22 108.55 2ars n HIS 223 Ca 0.04 0.73 -0.31 0.00 -0.26 0.00 0.00 57.72 57.92 2ars n HIS 223 Cb 0.41 -4.05 -0.16 0.00 1.12 0.00 0.00 29.99 27.31 2ars n HIS 223 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ars s ILE 224 N -3.24 1.99 -1.02 1.59 -1.09 -0.70 -4.87 121.20 113.86 2ars s ILE 224 Ca 0.29 -1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 57.53 2ars s ILE 224 Cb -0.13 -1.68 0.20 0.00 -1.58 0.00 0.00 42.46 39.27 2ars s ILE 224 CO 0.53 0.56 1.11 -0.62 -1.23 0.00 0.00 174.94 175.28 2ars s ASP 225 N -0.21 6.95 -0.28 3.58 2.15 -1.26 -4.24 116.67 123.37 2ars s ASP 225 Ca -0.02 -2.84 -0.29 0.00 0.43 0.00 0.00 52.55 49.84 2ars s ASP 225 Cb -0.13 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2ars s ASP 225 CO 0.03 -0.66 1.51 -0.36 -0.17 0.00 0.00 175.17 175.51 2ars s PHE 226 N 0.77 2.30 -0.08 -5.34 0.08 -1.26 -1.06 117.98 113.39 2ars s PHE 226 Ca 0.31 0.67 0.01 0.00 0.12 0.00 0.00 56.93 58.03 2ars s PHE 226 Cb -0.07 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.35 2ars s PHE 226 CO -0.07 -2.44 -0.08 1.03 -0.10 0.00 0.00 175.22 173.56 2ars s ARG 227 N 4.62 2.91 0.13 0.44 0.52 -0.12 -4.73 118.95 122.72 2ars s ARG 227 Ca 0.66 -0.58 -0.35 0.00 -0.52 0.00 0.00 55.73 54.94 2ars s ARG 227 Cb -0.21 -2.61 -0.15 0.00 0.52 0.00 0.00 34.95 32.51 2ars s ARG 227 CO 0.28 0.55 1.48 -1.91 0.02 0.00 0.00 175.30 175.72 2ars n GLU 228 N 2.57 1.74 -3.01 3.54 2.13 -1.26 -0.79 120.64 125.56 2ars n GLU 228 Ca -0.18 0.63 -0.09 0.00 0.66 0.00 0.00 57.16 58.18 2ars n GLU 228 Cb 0.53 -2.34 -0.02 0.00 0.27 0.00 0.00 31.44 29.87 2ars n GLU 228 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2ars n ASP 229 N 3.06 -0.68 -4.34 4.31 4.64 0.26 -4.79 116.55 119.02 2ars n ASP 229 Ca 0.18 -2.11 -0.18 0.00 -1.38 0.00 0.00 54.79 51.29 2ars n ASP 229 Cb 0.25 1.32 -0.10 0.00 -1.04 0.00 0.00 41.12 41.54 2ars n ASP 229 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 2ars s THR 230 N -2.68 1.72 0.52 5.18 -4.23 -1.26 -4.51 115.64 110.38 2ars s THR 230 Ca 0.18 -2.20 -0.22 0.00 -1.18 0.00 0.00 61.69 58.27 2ars s THR 230 Cb -0.00 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.75 2ars s THR 230 CO 0.13 -0.60 1.24 -0.51 -0.54 0.00 0.00 174.62 174.34 2ars s ILE 231 N -2.98 2.66 0.52 2.99 1.10 -1.26 -5.01 121.20 119.22 2ars s ILE 231 Ca 0.22 0.48 -0.06 0.00 -0.51 0.00 0.00 60.65 60.78 2ars s ILE 231 Cb -0.01 -3.23 -0.03 0.00 0.15 0.00 0.00 42.46 39.34 2ars s ILE 231 CO 0.07 -0.02 0.84 0.42 -2.11 0.00 0.00 174.94 174.13 2ars s THR 232 N -1.47 4.75 0.33 4.00 -4.23 -1.26 -4.89 115.64 112.87 2ars s THR 232 Ca 0.69 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2ars s THR 232 Cb -0.33 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 69.95 2ars s THR 232 CO 0.39 -0.86 1.99 -0.33 -0.54 0.00 0.00 174.62 175.26 2ars h GLU 233 N 0.09 0.95 -0.16 3.99 5.08 -1.98 0.18 114.58 122.74 2ars h GLU 233 Ca -0.46 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ars h GLU 233 Cb 1.21 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2ars h GLU 233 CO 0.62 0.63 0.09 -0.22 -1.00 0.00 0.00 179.01 179.12 2ars h LYS 234 N 0.98 0.22 -0.43 2.33 3.64 -1.99 0.18 116.57 121.50 2ars h LYS 234 Ca 0.28 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2ars h LYS 234 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2ars h LYS 234 CO -0.06 0.23 0.01 0.93 -2.27 0.00 0.00 179.45 178.28 2ars h GLU 235 N 0.15 0.76 -0.67 1.90 5.08 -1.78 -2.02 114.58 118.00 2ars h GLU 235 Ca 0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2ars h GLU 235 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ars h GLU 235 CO -0.01 0.82 0.43 1.49 -1.00 0.00 0.00 179.01 180.74 2ars h GLU 236 N 0.60 0.89 -0.49 2.33 4.57 -0.49 -0.90 114.58 121.09 2ars h GLU 236 Ca 0.12 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2ars h GLU 236 Cb 0.47 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2ars h GLU 236 CO 0.02 0.60 0.23 0.77 -1.18 0.00 0.00 179.01 179.45 2ars h SER 237 N 0.91 0.65 -0.80 1.04 0.02 -0.48 -1.55 113.55 113.33 2ars h SER 237 Ca 0.24 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2ars h SER 237 Cb -0.09 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2ars h SER 237 CO -0.05 0.60 0.41 0.25 -1.14 0.00 0.00 176.83 176.90 2ars h LEU 238 N 0.65 1.03 -0.54 5.07 5.85 -0.99 -1.13 115.31 125.25 2ars h LEU 238 Ca 0.17 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2ars h LEU 238 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2ars h LEU 238 CO -0.02 0.86 0.24 0.00 -0.34 0.00 0.00 178.44 179.18 2ars h ALA 239 N 1.30 0.70 -0.66 1.25 0.00 -0.78 0.35 119.26 121.43 2ars h ALA 239 Ca 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ars h ALA 239 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ars h ALA 239 CO -0.04 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.60 2ars h ARG 240 N 0.73 1.09 -0.39 0.00 2.47 -0.93 -0.45 114.38 116.91 2ars h ARG 240 Ca 0.18 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 2ars h ARG 240 Cb 0.16 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2ars h ARG 240 CO -0.02 1.00 0.09 1.49 0.56 0.00 0.00 179.97 183.10 2ars h GLU 241 N 1.02 0.62 -0.56 0.04 4.57 -0.85 -0.28 114.58 119.14 2ars h GLU 241 Ca 0.20 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 2ars h GLU 241 Cb 0.45 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2ars h GLU 241 CO 0.01 0.65 0.13 -0.07 -1.18 0.00 0.00 179.01 178.56 2ars h LEU 242 N 0.48 0.81 0.49 1.64 3.38 -0.69 -0.69 115.31 120.73 2ars h LEU 242 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2ars h LEU 242 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ars h LEU 242 CO 0.00 0.80 -0.24 0.15 0.09 0.00 0.00 178.44 179.24 2ars h PHE 243 N 0.83 -0.61 -0.67 1.13 3.57 -0.90 0.53 116.94 120.82 2ars h PHE 243 Ca 0.18 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 2ars h PHE 243 Cb 0.31 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 2ars h PHE 243 CO 0.02 -0.29 0.26 -0.44 -2.23 0.00 0.00 178.31 175.63 2ars h ASP 244 N -0.99 0.25 0.60 0.41 3.45 -0.94 -0.03 116.42 119.18 2ars h ASP 244 Ca -0.07 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2ars h ASP 244 Cb 0.60 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 2ars h ASP 244 CO 0.11 0.13 -0.95 0.29 -1.57 0.00 0.00 179.24 177.25 2ars n LYS 245 N -4.99 0.34 0.03 3.56 4.76 -0.28 -4.74 118.16 116.83 2ars n LYS 245 Ca 0.11 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2ars n LYS 245 Cb 0.33 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2ars n LYS 245 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2ars n LYS 246 N -2.10 0.00 -0.02 1.97 4.81 0.07 -4.84 118.16 118.05 2ars n LYS 246 Ca 0.02 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.67 2ars n LYS 246 Cb 0.46 -0.02 0.69 0.00 0.02 0.00 0.00 35.03 36.18 2ars n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2ars h TYR 247 N 0.00 0.00 -0.00 5.64 -1.99 -1.19 -0.24 116.97 119.20 2ars h TYR 247 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ars h TYR 247 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2ars h TYR 247 CO 0.00 0.00 -0.19 -1.13 -0.00 0.00 0.00 178.16 176.84 2ars n SER 248 N -4.37 0.47 -4.89 3.88 3.41 -0.04 -4.79 113.62 107.29 2ars n SER 248 Ca 0.11 -0.38 -0.29 0.00 -0.26 0.00 0.00 58.87 58.05 2ars n SER 248 Cb 0.65 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2ars n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ars s THR 249 N -2.67 4.96 0.06 6.66 -4.23 -0.10 -5.02 115.64 115.31 2ars s THR 249 Ca 0.22 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 2ars s THR 249 Cb 0.19 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 70.12 2ars s THR 249 CO 0.53 -0.34 1.23 -0.33 -0.54 0.00 0.00 174.62 175.17 2ars h GLU 250 N 1.69 0.63 -0.83 3.99 3.07 -1.91 -2.98 114.58 118.24 2ars h GLU 250 Ca -0.47 -0.57 0.14 0.00 -0.50 0.00 0.00 59.36 57.96 2ars h GLU 250 Cb 1.19 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 29.17 2ars h GLU 250 CO 0.66 1.18 0.54 1.05 -1.40 0.00 0.00 179.01 181.04 2ars h GLU 251 N 0.28 0.58 0.23 2.33 9.09 -1.95 -2.78 114.58 122.36 2ars h GLU 251 Ca -0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.30 2ars h GLU 251 Cb 1.36 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2ars h GLU 251 CO 0.14 0.38 -0.11 2.35 0.05 0.00 0.00 179.01 181.83 2ars h TRP 252 N 0.60 -0.29 0.00 2.06 2.91 -1.80 0.15 115.95 119.59 2ars h TRP 252 Ca 0.41 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.42 2ars h TRP 252 Cb 0.73 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.48 2ars h TRP 252 CO -0.00 0.09 0.00 0.09 -1.03 0.00 0.00 178.44 177.58 2ars n ASN 253 N -4.99 1.16 -0.58 2.65 3.02 -1.05 -4.41 115.26 111.06 2ars n ASN 253 Ca -0.08 -1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 53.34 2ars n ASN 253 Cb 0.25 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2ars n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ars n GLY 255 N 1.62 0.86 0.13 7.41 0.00 -1.10 -4.54 105.19 109.57 2ars n GLY 255 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2ars n GLY 255 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ars n LEU 256 N 0.01 2.82 0.00 0.99 0.00 0.38 -4.93 117.00 116.28 2ars n LEU 256 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 56.01 55.96 2ars n LEU 256 Cb 0.57 -0.96 0.00 0.00 0.00 0.00 0.00 43.42 43.03 2ars n LEU 256 CO -0.02 0.89 0.17 -0.11 0.00 0.00 0.00 177.39 178.32