#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3his s ILE 2 N 0.00 4.50 -0.05 1.55 1.01 -1.26 -5.04 121.20 121.91 3his s ILE 2 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3his s ILE 2 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3his s ILE 2 CO 0.00 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.48 3his s ILE 3 N 1.07 1.83 0.06 2.92 1.01 -1.26 -0.30 121.20 126.54 3his s ILE 3 Ca 0.04 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3his s ILE 3 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3his s ILE 3 CO 0.03 0.51 -0.15 -0.31 0.00 0.00 0.00 174.94 175.03 3his s TYR 4 N -0.12 1.28 -0.02 3.97 2.02 -0.42 -4.99 117.35 119.07 3his s TYR 4 Ca -0.03 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3his s TYR 4 Cb -0.13 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 3his s TYR 4 CO 0.03 0.06 -0.15 -1.21 -1.57 0.00 0.00 175.55 172.72 3his s GLU 5 N -1.54 1.35 -0.22 -0.62 2.02 -1.26 -0.45 118.70 117.98 3his s GLU 5 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.49 3his s GLU 5 Cb -0.09 -1.25 0.04 0.00 0.10 0.00 0.00 34.13 32.93 3his s GLU 5 CO 0.02 0.26 -0.14 -1.17 0.02 0.00 0.00 175.26 174.25 3his s LEU 6 N -0.12 2.72 -0.23 1.80 2.96 -0.08 -4.87 118.68 120.86 3his s LEU 6 Ca 0.01 -1.02 -0.28 0.00 -0.22 0.00 0.00 54.13 52.63 3his s LEU 6 Cb -0.08 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3his s LEU 6 CO 0.00 -0.11 0.97 0.21 -1.32 0.00 0.00 176.35 176.10 3his s ASN 7 N 1.23 7.02 0.00 3.68 3.84 -1.26 -1.55 114.94 127.90 3his s ASN 7 Ca -0.02 1.27 0.28 0.00 0.21 0.00 0.00 52.86 54.60 3his s ASN 7 Cb -0.17 -2.51 1.11 0.00 -0.55 0.00 0.00 41.25 39.13 3his s ASN 7 CO -0.09 -0.61 1.78 0.18 -2.79 0.00 0.00 177.10 175.57 3his n LEU 8 N 6.15 1.15 -4.58 3.21 4.77 0.75 -4.27 117.00 124.18 3his n LEU 8 Ca 0.10 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.32 3his n LEU 8 Cb 0.47 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3his n LEU 8 CO 0.50 0.20 0.14 -1.10 -1.33 0.00 0.00 177.39 175.80 3his s GLN 9 N -2.14 3.83 -1.30 3.23 -1.52 -1.24 -4.36 119.66 116.17 3his s GLN 9 Ca 0.36 -0.05 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 3his s GLN 9 Cb 0.21 -3.72 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 3his s GLN 9 CO 0.39 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.40 3his n GLY 10 N 4.71 0.18 3.71 3.09 0.00 -1.26 -4.92 105.19 110.70 3his n GLY 10 Ca -0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3his n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3his n THR 11 N -3.67 0.68 -3.69 2.61 -1.04 -1.26 -5.01 114.28 102.91 3his n THR 11 Ca -0.16 -0.17 -0.20 0.00 -2.04 0.00 0.00 64.05 61.47 3his n THR 11 Cb 0.59 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 3his n THR 11 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3his s THR 12 N 0.30 3.79 0.17 12.58 -4.23 -1.26 -5.01 115.64 121.98 3his s THR 12 Ca 0.69 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 3his s THR 12 Cb -0.57 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3his s THR 12 CO 0.45 -0.17 1.77 0.11 -0.54 0.00 0.00 174.62 176.23 3his h LYS 13 N 1.11 0.37 -0.81 3.99 1.57 -1.97 -2.08 116.57 118.74 3his h LYS 13 Ca -0.45 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3his h LYS 13 Cb 1.25 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 3his h LYS 13 CO 0.56 0.24 0.52 0.00 -0.57 0.00 0.00 179.45 180.21 3his h ALA 14 N 1.26 1.06 -0.66 3.86 0.00 -1.99 -1.12 119.26 121.67 3his h ALA 14 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3his h ALA 14 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3his h ALA 14 CO -0.17 0.35 0.29 1.96 0.00 0.00 0.00 179.25 181.68 3his h GLN 15 N 1.02 0.98 -0.10 0.00 4.20 -1.85 -0.15 115.11 119.21 3his h GLN 15 Ca 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3his h GLN 15 Cb -0.01 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3his h GLN 15 CO -0.11 0.80 0.03 -0.92 -0.67 0.00 0.00 178.83 177.97 3his h TYR 16 N 0.93 0.16 -0.90 2.96 3.20 -0.98 -1.41 116.97 120.93 3his h TYR 16 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3his h TYR 16 Cb 0.17 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 3his h TYR 16 CO 0.01 0.29 0.57 0.77 -1.64 0.00 0.00 178.16 178.16 3his h SER 17 N -0.02 1.06 -0.66 -2.11 0.02 -1.09 -1.88 113.55 108.87 3his h SER 17 Ca 0.03 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3his h SER 17 Cb 0.21 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3his h SER 17 CO -0.00 0.79 0.08 0.74 -1.14 0.00 0.00 176.83 177.30 3his h THR 18 N 1.23 1.27 -0.22 -2.27 2.02 -0.85 -1.29 112.91 112.79 3his h THR 18 Ca 0.33 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3his h THR 18 Cb -0.09 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3his h THR 18 CO -0.07 0.40 0.14 0.15 0.37 0.00 0.00 175.52 176.51 3his h PHE 19 N 1.03 0.28 -0.61 3.16 3.57 -0.82 0.25 116.94 123.80 3his h PHE 19 Ca 0.20 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3his h PHE 19 Cb 0.48 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3his h PHE 19 CO 0.04 0.20 0.17 -0.07 -2.23 0.00 0.00 178.31 176.42 3his h LEU 20 N 0.28 0.86 -1.01 0.59 3.38 -1.12 -1.86 115.31 116.44 3his h LEU 20 Ca 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3his h LEU 20 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3his h LEU 20 CO -0.02 0.83 -0.15 0.50 0.09 0.00 0.00 178.44 179.69 3his h LYS 21 N 0.89 0.54 -0.83 1.13 3.64 -0.92 -1.70 116.57 119.33 3his h LYS 21 Ca 0.20 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3his h LYS 21 Cb 0.29 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3his h LYS 21 CO -0.01 0.68 0.53 1.96 -2.27 0.00 0.00 179.45 180.34 3his h GLN 22 N 0.50 1.11 -0.13 1.90 1.08 -0.13 0.11 115.11 119.54 3his h GLN 22 Ca 0.09 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3his h GLN 22 Cb 0.55 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3his h GLN 22 CO 0.03 0.75 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.59 3his h LEU 23 N 1.13 0.24 -0.70 1.46 3.38 -1.07 -1.10 115.31 118.66 3his h LEU 23 Ca 0.30 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3his h LEU 23 Cb -0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3his h LEU 23 CO -0.06 0.50 0.45 0.03 0.09 0.00 0.00 178.44 179.45 3his h ARG 24 N -0.03 0.89 0.00 1.13 3.08 -1.11 -2.41 114.38 115.92 3his h ARG 24 Ca 0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3his h ARG 24 Cb 0.38 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3his h ARG 24 CO 0.01 0.59 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.76 3his h ASP 25 N 0.92 0.00 -0.54 7.04 3.32 -0.65 -1.60 116.42 124.90 3his h ASP 25 Ca 0.26 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 3his h ASP 25 Cb -0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3his h ASP 25 CO -0.07 0.30 -0.05 -0.78 -1.72 0.00 0.00 179.24 176.92 3his h ASP 26 N 0.00 0.99 0.00 6.45 3.58 -0.68 -3.31 116.42 123.44 3his h ASP 26 Ca -0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 3his h ASP 26 Cb 0.72 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3his h ASP 26 CO 0.04 1.08 -1.10 2.30 -2.88 0.00 0.00 179.24 178.68 3his n ILE 27 N -4.21 0.00 -2.00 2.25 -5.35 -1.13 -5.00 119.36 103.93 3his n ILE 27 Ca 0.02 -0.11 -0.33 0.00 -0.27 0.00 0.00 62.75 62.06 3his n ILE 27 Cb 0.37 0.84 0.02 0.00 -1.74 0.00 0.00 39.64 39.12 3his n ILE 27 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3his s LYS 28 N -2.96 3.26 -0.45 6.28 -2.85 -0.62 -0.93 119.74 121.47 3his s LYS 28 Ca 0.05 1.20 -0.20 0.00 -1.00 0.00 0.00 55.97 56.02 3his s LYS 28 Cb 0.15 -2.02 0.03 0.00 -2.06 0.00 0.00 37.83 33.92 3his s LYS 28 CO 0.82 -0.86 0.61 0.34 0.10 0.00 0.00 175.35 176.36 3his s ASP 29 N -2.84 6.28 0.00 0.03 -1.08 -0.17 -4.46 116.67 114.44 3his s ASP 29 Ca 0.63 -0.50 0.14 0.00 -0.52 0.00 0.00 52.55 52.31 3his s ASP 29 Cb -0.16 -2.30 0.61 0.00 -1.46 0.00 0.00 42.92 39.61 3his s ASP 29 CO 0.38 -0.77 1.43 -0.81 0.52 0.00 0.00 175.17 175.92 3his n PRO 30 N 6.15 0.04 -0.12 4.34 -0.04 -1.26 -1.86 135.00 142.26 3his n PRO 30 Ca -0.03 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 3his n PRO 30 Cb 0.47 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 3his n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3his n ASN 31 N -1.46 2.93 -4.50 3.54 5.03 -1.26 -4.98 115.26 114.56 3his n ASN 31 Ca 0.04 -1.86 -0.34 0.00 0.87 0.00 0.00 54.58 53.29 3his n ASN 31 Cb 0.15 -0.15 -0.12 0.00 -1.02 0.00 0.00 39.78 38.64 3his n ASN 31 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3his s LEU 32 N -1.31 3.32 0.02 3.41 2.96 -0.77 -5.10 118.68 121.20 3his s LEU 32 Ca 0.28 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3his s LEU 32 Cb 0.17 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3his s LEU 32 CO 0.24 0.15 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.41 3his s HIS 33 N 0.50 0.22 -0.09 5.38 3.76 -1.26 -3.96 115.29 119.83 3his s HIS 33 Ca -0.02 -0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3his s HIS 33 Cb -0.14 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 3his s HIS 33 CO 0.02 -0.18 -0.03 0.71 -0.85 0.00 0.00 174.74 174.42 3his s TYR 34 N -1.31 3.07 -1.17 1.40 2.02 -1.26 -4.70 117.35 115.40 3his s TYR 34 Ca -0.14 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 3his s TYR 34 Cb -0.09 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3his s TYR 34 CO -0.01 0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.74 3his n GLY 35 N 2.37 0.96 2.35 0.71 0.00 -1.08 -1.70 105.19 108.80 3his n GLY 35 Ca -0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 3his n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3his n GLY 36 N -1.45 0.67 3.97 -0.02 0.00 -1.26 -0.45 105.19 106.65 3his n GLY 36 Ca -0.12 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3his n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3his s THR 37 N -1.94 3.01 -2.23 2.61 -4.23 -0.69 -4.71 115.64 107.47 3his s THR 37 Ca 0.00 -0.65 0.22 0.00 -1.18 0.00 0.00 61.69 60.09 3his s THR 37 Cb 0.00 -3.12 0.52 0.00 1.34 0.00 0.00 72.50 71.25 3his s THR 37 CO 0.00 -0.08 1.47 -0.46 -0.54 0.00 0.00 174.62 175.01 3his n ASN 38 N -2.25 3.52 -4.80 3.99 0.23 -1.26 -4.42 115.26 110.28 3his n ASN 38 Ca 0.06 -1.98 -0.34 0.00 -0.53 0.00 0.00 54.58 51.79 3his n ASN 38 Cb 0.59 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.90 3his n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3his s LEU 39 N -1.25 3.85 0.62 -4.53 1.43 -1.26 -5.02 118.68 112.53 3his s LEU 39 Ca 0.43 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 3his s LEU 39 Cb 0.23 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 3his s LEU 39 CO 0.32 -0.72 1.21 -2.84 0.23 0.00 0.00 176.35 174.54 3his s PRO 40 N -3.24 2.79 -0.01 1.29 0.02 -1.26 -4.62 135.00 129.96 3his s PRO 40 Ca 0.66 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.52 3his s PRO 40 Cb -0.15 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 3his s PRO 40 CO 0.19 -1.34 -0.12 0.08 -0.33 0.00 0.00 177.00 175.48 3his s VAL 41 N -1.70 0.94 0.36 3.83 1.01 -1.25 -1.08 120.40 122.51 3his s VAL 41 Ca 0.77 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 3his s VAL 41 Cb -0.30 -0.80 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 3his s VAL 41 CO 0.36 0.27 1.47 -0.63 0.00 0.00 0.00 175.10 176.58 3his s ILE 42 N -0.18 2.14 0.44 2.22 1.01 -0.48 -1.00 121.20 125.35 3his s ILE 42 Ca 0.03 0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 3his s ILE 42 Cb -0.06 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 39.25 3his s ILE 42 CO -0.00 0.03 1.20 -0.75 0.00 0.00 0.00 174.94 175.42 3his s LYS 43 N -1.87 3.84 -0.06 2.79 2.20 -0.11 -4.34 119.74 122.19 3his s LYS 43 Ca 0.53 1.89 -0.00 0.00 -0.36 0.00 0.00 55.97 58.03 3his s LYS 43 Cb -0.46 -2.54 0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3his s LYS 43 CO 0.60 -0.52 -0.02 0.50 -0.36 0.00 0.00 175.35 175.56 3his s ARG 44 N -2.51 0.65 0.45 4.03 3.52 -1.26 -2.48 118.95 121.36 3his s ARG 44 Ca 0.61 0.02 -0.24 0.00 -0.13 0.00 0.00 55.73 55.99 3his s ARG 44 Cb -0.32 -0.85 -0.07 0.00 -1.56 0.00 0.00 34.95 32.15 3his s ARG 44 CO 0.39 -0.19 1.23 -1.25 -0.81 0.00 0.00 175.30 174.66 3his s PRO 45 N 1.42 3.74 0.21 5.12 0.04 -1.26 -5.09 135.00 139.18 3his s PRO 45 Ca -0.03 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.05 3his s PRO 45 Cb -0.13 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 31.97 3his s PRO 45 CO -0.03 -0.61 1.43 -0.24 0.04 0.00 0.00 177.00 177.59 3his h VAL 46 N 1.99 1.42 -2.67 -0.36 3.04 -1.86 -3.48 116.25 114.33 3his h VAL 46 Ca -0.50 -2.74 0.00 0.00 -1.01 0.00 0.00 66.70 62.46 3his h VAL 46 Cb 1.25 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 33.06 3his h VAL 46 CO 0.60 0.75 0.00 0.61 -1.01 0.00 0.00 177.57 178.53 3his n GLY 47 N 0.98 5.67 3.72 3.17 0.00 -1.26 -4.79 105.19 112.68 3his n GLY 47 Ca 0.00 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3his n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3his s PRO 48 N -0.30 1.56 0.64 1.61 0.04 -1.26 -5.04 135.00 132.25 3his s PRO 48 Ca 0.00 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.09 3his s PRO 48 Cb 0.00 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 3his s PRO 48 CO 0.00 -2.12 1.01 -1.25 0.04 0.00 0.00 177.00 174.68 3his s PRO 49 N -4.83 3.11 0.21 0.56 0.04 -1.26 -5.10 135.00 127.73 3his s PRO 49 Ca 0.63 0.42 0.10 0.00 0.04 0.00 0.00 61.00 62.19 3his s PRO 49 Cb -0.19 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.31 3his s PRO 49 CO 0.57 -0.78 1.44 -0.22 0.04 0.00 0.00 177.00 178.05 3his h LYS 50 N -0.40 0.00 -5.65 4.56 3.64 -1.96 -3.45 116.57 113.31 3his h LYS 50 Ca -0.45 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.46 3his h LYS 50 Cb 1.23 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.90 3his h LYS 50 CO 0.63 0.77 -0.75 -0.06 -2.27 0.00 0.00 179.45 177.76 3his s PHE 51 N -3.09 1.71 0.32 1.91 0.40 -1.26 -1.12 117.98 116.85 3his s PHE 51 Ca 0.01 -0.54 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 3his s PHE 51 Cb 0.11 -0.82 -0.06 0.00 0.51 0.00 0.00 43.02 42.76 3his s PHE 51 CO 0.78 0.33 -0.06 -0.48 0.70 0.00 0.00 175.22 176.49 3his s LEU 52 N -3.06 2.59 -0.15 -0.37 0.05 0.09 -4.74 118.68 113.09 3his s LEU 52 Ca 0.19 -1.22 -0.04 0.00 0.05 0.00 0.00 54.13 53.12 3his s LEU 52 Cb -0.02 -0.78 -0.03 0.00 -2.05 0.00 0.00 46.19 43.31 3his s LEU 52 CO 0.06 -0.32 -0.02 -0.60 -0.55 0.00 0.00 176.35 174.93 3his s ARG 53 N -3.69 3.61 -0.18 1.48 3.52 0.59 -0.91 118.95 123.36 3his s ARG 53 Ca 0.31 -0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 55.38 3his s ARG 53 Cb 0.04 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 3his s ARG 53 CO 0.14 0.32 0.01 0.08 -0.81 0.00 0.00 175.30 175.05 3his s VAL 54 N 0.16 4.27 -0.23 7.11 1.01 -0.34 -1.30 120.40 131.08 3his s VAL 54 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3his s VAL 54 Cb -0.13 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3his s VAL 54 CO 0.02 0.46 0.15 0.20 0.00 0.00 0.00 175.10 175.94 3his s ASN 55 N 0.53 6.14 -0.39 3.32 0.01 0.40 -0.32 114.94 124.63 3his s ASN 55 Ca -0.00 0.14 -0.10 0.00 -0.71 0.00 0.00 52.86 52.20 3his s ASN 55 Cb -0.14 -2.10 0.05 0.00 0.41 0.00 0.00 41.25 39.48 3his s ASN 55 CO 0.02 0.10 0.22 -0.76 -1.51 0.00 0.00 177.10 175.17 3his s LEU 56 N 0.86 4.88 -0.21 0.60 1.43 0.58 -0.90 118.68 125.91 3his s LEU 56 Ca 0.08 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.76 3his s LEU 56 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3his s LEU 56 CO 0.03 -0.45 0.38 -0.75 0.23 0.00 0.00 176.35 175.79 3his s LYS 57 N 1.47 4.15 0.41 1.70 2.20 -0.59 -1.58 119.74 127.50 3his s LYS 57 Ca 0.02 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.84 3his s LYS 57 Cb -0.21 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 3his s LYS 57 CO 0.04 -0.06 0.02 0.00 -0.36 0.00 0.00 175.35 174.99 3his s ALA 58 N 1.40 3.20 0.39 3.13 0.00 -0.53 -0.18 121.76 129.17 3his s ALA 58 Ca 0.18 -1.86 0.17 0.00 0.00 0.00 0.00 51.96 50.44 3his s ALA 58 Cb -0.15 0.25 0.95 0.00 0.00 0.00 0.00 23.12 24.17 3his s ALA 58 CO 0.08 -0.14 1.92 0.66 0.00 0.00 0.00 175.76 178.27 3his h SER 59 N 1.75 0.00 0.82 0.00 4.64 -1.97 -2.87 113.55 115.92 3his h SER 59 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3his h SER 59 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3his h SER 59 CO 0.77 0.27 -0.73 0.71 -0.87 0.00 0.00 176.83 176.98 3his h THR 60 N 0.00 0.00 0.00 2.95 1.35 -1.98 -3.49 112.91 111.74 3his h THR 60 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3his h THR 60 Cb 0.52 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3his h THR 60 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3his n GLY 61 N 1.32 -0.80 3.47 5.82 0.00 -1.08 -4.98 105.19 108.94 3his n GLY 61 Ca 0.03 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3his n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3his s THR 62 N -1.92 3.18 -0.09 2.61 2.01 -1.26 -1.45 115.64 118.72 3his s THR 62 Ca 0.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3his s THR 62 Cb 0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 3his s THR 62 CO 0.00 0.58 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 3his s VAL 63 N -0.47 3.59 0.26 3.82 1.01 -0.62 -4.70 120.40 123.29 3his s VAL 63 Ca 0.06 -0.51 0.12 0.00 0.00 0.00 0.00 61.98 61.65 3his s VAL 63 Cb -0.12 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3his s VAL 63 CO 0.02 0.57 -0.20 -0.44 0.00 0.00 0.00 175.10 175.05 3his s SER 64 N -0.48 3.48 0.08 3.32 0.01 -0.37 -0.31 113.70 119.43 3his s SER 64 Ca 0.07 -1.00 0.08 0.00 1.31 0.00 0.00 55.95 56.41 3his s SER 64 Cb -0.12 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 3his s SER 64 CO 0.02 0.04 -0.21 -0.76 0.41 0.00 0.00 173.24 172.74 3his s LEU 65 N -3.33 2.25 -0.29 2.44 1.43 0.56 -0.36 118.68 121.38 3his s LEU 65 Ca 0.28 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3his s LEU 65 Cb -0.05 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3his s LEU 65 CO 0.13 0.10 0.29 0.00 0.23 0.00 0.00 176.35 177.10 3his s ALA 66 N -1.03 3.53 -0.17 4.21 0.00 -0.45 -1.20 121.76 126.65 3his s ALA 66 Ca 0.07 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3his s ALA 66 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3his s ALA 66 CO 0.03 -0.71 -0.15 0.08 0.00 0.00 0.00 175.76 175.01 3his s VAL 67 N 1.91 2.59 0.05 0.00 1.01 -0.09 -0.38 120.40 125.49 3his s VAL 67 Ca 0.11 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 3his s VAL 67 Cb -0.16 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 3his s VAL 67 CO 0.11 0.51 1.41 -1.58 0.00 0.00 0.00 175.10 175.54 3his s GLN 68 N 1.07 4.30 0.33 2.72 0.74 0.35 -0.74 119.66 128.43 3his s GLN 68 Ca -0.01 2.03 0.16 0.00 0.05 0.00 0.00 55.36 57.60 3his s GLN 68 Cb -0.14 -3.44 0.52 0.00 1.10 0.00 0.00 33.01 31.05 3his s GLN 68 CO -0.04 -0.52 1.67 0.00 -0.55 0.00 0.00 175.29 175.84 3his h ARG 69 N 7.44 0.00 0.00 1.67 3.08 -1.43 0.19 114.38 125.32 3his h ARG 69 Ca -0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3his h ARG 69 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3his h ARG 69 CO 0.89 0.47 -0.07 0.66 -1.07 0.00 0.00 179.97 180.85 3his h SER 70 N 0.00 0.00 0.00 7.04 4.64 -1.92 -3.38 113.55 119.93 3his h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3his h SER 70 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3his h SER 70 CO 0.06 0.07 0.00 -0.46 -0.87 0.00 0.00 176.83 175.63 3his n ASN 71 N -3.15 0.00 -0.01 4.97 2.04 -1.21 -4.72 115.26 113.18 3his n ASN 71 Ca 0.02 -1.00 -0.00 0.00 -0.44 0.00 0.00 54.58 53.16 3his n ASN 71 Cb 0.43 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.68 3his n ASN 71 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3his n LEU 72 N 0.00 0.63 -4.76 -4.53 4.77 0.66 -4.98 117.00 108.78 3his n LEU 72 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 3his n LEU 72 Cb 0.37 -1.81 -0.04 0.00 -2.33 0.00 0.00 43.42 39.61 3his n LEU 72 CO 0.00 -0.65 0.76 -0.31 -1.33 0.00 0.00 177.39 175.86 3his s TYR 73 N -1.36 3.52 -0.07 -1.77 2.02 -1.25 -4.41 117.35 114.04 3his s TYR 73 Ca 0.00 1.70 -0.24 0.00 -0.37 0.00 0.00 57.07 58.16 3his s TYR 73 Cb 0.00 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 3his s TYR 73 CO 0.00 -0.48 0.74 0.08 -1.57 0.00 0.00 175.55 174.32 3his s VAL 74 N -1.31 5.01 -0.14 0.71 1.01 -1.26 -0.49 120.40 123.93 3his s VAL 74 Ca 0.48 1.53 0.11 0.00 0.00 0.00 0.00 61.98 64.11 3his s VAL 74 Cb -0.29 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 3his s VAL 74 CO 0.36 0.22 0.29 0.00 0.00 0.00 0.00 175.10 175.97 3his n ALA 75 N 3.93 1.42 -3.53 5.51 0.00 0.48 -4.93 120.51 123.40 3his n ALA 75 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 3his n ALA 75 Cb 0.51 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3his n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3his s ALA 76 N -2.54 -1.79 0.14 0.00 0.00 -1.25 -1.61 121.76 114.71 3his s ALA 76 Ca -0.12 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.75 3his s ALA 76 Cb 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 3his s ALA 76 CO 0.79 -0.74 -0.08 1.52 0.00 0.00 0.00 175.76 177.25 3his s TYR 77 N -3.16 1.17 -0.09 0.00 1.13 -0.23 -1.34 117.35 114.81 3his s TYR 77 Ca 0.06 -0.82 0.02 0.00 -1.41 0.00 0.00 57.07 54.92 3his s TYR 77 Cb -0.01 -0.62 0.01 0.00 -1.10 0.00 0.00 41.96 40.25 3his s TYR 77 CO -0.08 0.00 -0.14 -1.17 -2.51 0.00 0.00 175.55 171.65 3his s LEU 78 N -3.14 1.68 -0.10 -3.49 2.96 0.51 -0.88 118.68 116.23 3his s LEU 78 Ca 0.16 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 3his s LEU 78 Cb 0.04 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.75 3his s LEU 78 CO -0.01 0.02 0.40 0.00 -1.32 0.00 0.00 176.35 175.44 3his s ALA 79 N 0.89 -0.99 0.32 5.97 0.00 -0.85 -1.23 121.76 125.87 3his s ALA 79 Ca -0.09 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 3his s ALA 79 Cb -0.15 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.51 3his s ALA 79 CO 0.00 -0.23 1.05 0.15 0.00 0.00 0.00 175.76 176.73 3his s LYS 80 N -0.43 4.51 0.00 0.00 1.02 -1.26 -1.63 119.74 121.95 3his s LYS 80 Ca -0.06 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.56 3his s LYS 80 Cb -0.03 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3his s LYS 80 CO 0.03 0.14 0.00 0.27 -0.92 0.00 0.00 175.35 174.87 3his n ASN 81 N 0.76 0.00 0.23 2.83 0.23 -0.06 -0.22 115.26 119.03 3his n ASN 81 Ca 0.01 -0.52 0.16 0.00 -0.53 0.00 0.00 54.58 53.70 3his n ASN 81 Cb 0.47 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.92 3his n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3his h ASN 82 N 0.00 0.00 -0.62 0.53 -0.00 -1.65 -2.08 115.58 111.76 3his h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3his h ASN 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3his h ASN 82 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 177.43 178.02 3his n ASN 83 N -2.72 4.68 -1.52 6.14 5.03 -1.26 -4.90 115.26 120.71 3his n ASN 83 Ca -0.00 -2.47 -0.18 0.00 0.87 0.00 0.00 54.58 52.80 3his n ASN 83 Cb 0.18 -0.56 -0.06 0.00 -1.02 0.00 0.00 39.78 38.31 3his n ASN 83 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3his n LYS 84 N 1.01 -1.29 -3.60 3.52 4.76 -0.78 -4.98 118.16 116.80 3his n LYS 84 Ca 0.25 1.08 -0.36 0.00 -2.87 0.00 0.00 58.31 56.41 3his n LYS 84 Cb 0.88 -5.39 -0.07 0.00 -1.84 0.00 0.00 35.03 28.61 3his n LYS 84 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3his s GLN 85 N -3.82 4.18 0.37 1.97 -0.21 -1.26 -4.81 119.66 116.07 3his s GLN 85 Ca 0.00 0.03 -0.25 0.00 0.02 0.00 0.00 55.36 55.16 3his s GLN 85 Cb 0.00 -3.40 -0.09 0.00 1.00 0.00 0.00 33.01 30.52 3his s GLN 85 CO 0.00 0.30 1.07 -0.06 -2.12 0.00 0.00 175.29 174.49 3his s PHE 86 N 0.29 3.32 -0.06 0.91 0.08 -1.26 -0.88 117.98 120.37 3his s PHE 86 Ca 0.15 1.65 -0.06 0.00 0.12 0.00 0.00 56.93 58.79 3his s PHE 86 Cb -0.13 -3.19 0.02 0.00 -0.57 0.00 0.00 43.02 39.14 3his s PHE 86 CO 0.03 -0.69 0.16 0.50 -0.10 0.00 0.00 175.22 175.12 3his s ARG 87 N -2.22 0.20 -0.03 0.44 3.52 -0.64 -4.82 118.95 115.39 3his s ARG 87 Ca 0.55 0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 3his s ARG 87 Cb -0.25 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 3his s ARG 87 CO 0.32 -0.02 0.07 0.00 -0.81 0.00 0.00 175.30 174.86 3his s ALA 88 N 0.06 3.57 -0.07 6.12 0.00 -0.36 -2.00 121.76 129.07 3his s ALA 88 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 3his s ALA 88 Cb -0.01 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.52 3his s ALA 88 CO 0.00 0.66 -0.05 0.71 0.00 0.00 0.00 175.76 177.09 3his s TYR 89 N -1.12 0.99 0.06 0.00 1.51 -0.05 -0.27 117.35 118.47 3his s TYR 89 Ca 0.20 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 3his s TYR 89 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 3his s TYR 89 CO 0.10 -0.33 -0.20 1.52 -1.11 0.00 0.00 175.55 175.53 3his s TYR 90 N 1.45 2.49 0.45 2.71 1.13 -0.43 -1.07 117.35 124.09 3his s TYR 90 Ca -0.02 -0.29 -0.25 0.00 -1.41 0.00 0.00 57.07 55.10 3his s TYR 90 Cb -0.13 -1.42 -0.09 0.00 -1.10 0.00 0.00 41.96 39.22 3his s TYR 90 CO -0.03 0.26 1.29 1.19 -2.51 0.00 0.00 175.55 175.74 3his n PHE 91 N 1.43 2.16 -1.73 -3.49 3.72 -0.63 -0.42 117.46 118.50 3his n PHE 91 Ca -0.16 0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 57.30 3his n PHE 91 Cb 0.52 -2.37 -0.03 0.00 -0.94 0.00 0.00 39.48 36.66 3his n PHE 91 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3his s LYS 92 N -2.36 4.13 0.00 -1.08 2.20 -0.37 -1.64 119.74 120.63 3his s LYS 92 Ca 0.63 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.83 3his s LYS 92 Cb -0.48 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3his s LYS 92 CO 0.56 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 3his n GLY 93 N 4.10 1.60 3.75 5.54 0.00 -1.26 -4.35 105.19 114.56 3his n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3his n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3his s PHE 94 N -3.31 3.29 -1.13 1.61 2.19 -0.65 -4.91 117.98 115.07 3his s PHE 94 Ca 0.00 1.36 -0.19 0.00 0.33 0.00 0.00 56.93 58.43 3his s PHE 94 Cb 0.00 -3.54 0.10 0.00 -1.31 0.00 0.00 43.02 38.27 3his s PHE 94 CO 0.00 -1.57 1.46 -0.65 1.83 0.00 0.00 175.22 176.29 3his s GLN 95 N -0.61 3.83 0.01 10.12 -1.52 -1.26 -4.90 119.66 125.33 3his s GLN 95 Ca 0.53 -1.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.09 3his s GLN 95 Cb -0.36 -5.25 -0.01 0.00 -0.22 0.00 0.00 33.01 27.17 3his s GLN 95 CO 0.41 -2.03 -0.01 -1.50 -0.25 0.00 0.00 175.29 171.91 3his s ILE 96 N 3.50 0.04 0.31 1.08 2.07 -1.26 -5.15 121.20 121.78 3his s ILE 96 Ca 0.45 -0.28 0.06 0.00 -1.41 0.00 0.00 60.65 59.47 3his s ILE 96 Cb -0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.48 3his s ILE 96 CO -0.02 -0.15 0.44 0.42 -1.91 0.00 0.00 174.94 173.71 3his s THR 97 N -0.44 4.45 0.27 4.00 -4.23 -1.26 -4.98 115.64 113.44 3his s THR 97 Ca -0.05 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 3his s THR 97 Cb -0.03 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.53 3his s THR 97 CO -0.00 -0.21 1.89 0.74 -0.54 0.00 0.00 174.62 176.50 3his h THR 98 N 0.97 1.12 -0.27 3.99 2.02 -2.00 -1.14 112.91 117.61 3his h THR 98 Ca -0.48 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 3his h THR 98 Cb 1.25 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3his h THR 98 CO 0.55 0.22 -0.32 0.78 0.37 0.00 0.00 175.52 177.12 3his h ASN 99 N 1.21 0.58 -0.25 4.18 4.21 -1.99 0.85 115.58 124.38 3his h ASN 99 Ca 0.42 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.66 3his h ASN 99 Cb 0.10 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 3his h ASN 99 CO -0.15 0.86 -0.02 1.56 -1.29 0.00 0.00 177.43 178.39 3his h GLN 100 N 0.48 0.45 -0.94 0.81 4.20 -1.82 -1.21 115.11 117.08 3his h GLN 100 Ca 0.06 -0.15 0.06 0.00 0.06 0.00 0.00 58.65 58.67 3his h GLN 100 Cb 0.79 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 3his h GLN 100 CO 0.06 0.64 0.60 -0.07 -0.67 0.00 0.00 178.83 179.39 3his h LEU 101 N 0.22 0.96 -0.74 1.46 3.38 -1.03 -0.02 115.31 119.54 3his h LEU 101 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3his h LEU 101 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3his h LEU 101 CO 0.02 0.62 0.39 0.78 0.09 0.00 0.00 178.44 180.34 3his h ASN 102 N 1.10 0.94 -0.22 -0.43 2.35 -0.51 0.10 115.58 118.91 3his h ASN 102 Ca 0.40 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 3his h ASN 102 Cb 0.14 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3his h ASN 102 CO -0.16 0.79 -0.04 0.78 -1.65 0.00 0.00 177.43 177.14 3his h ASN 103 N 1.03 0.43 -0.28 5.81 4.21 -0.74 -2.89 115.58 123.15 3his h ASN 103 Ca 0.26 -0.36 -0.07 0.00 1.21 0.00 0.00 56.30 57.34 3his h ASN 103 Cb 0.07 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3his h ASN 103 CO -0.04 0.68 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.60 3his h LEU 104 N 0.16 0.58 -6.47 1.61 3.38 -0.88 -3.39 115.31 110.30 3his h LEU 104 Ca 0.06 -0.40 -0.60 0.00 0.09 0.00 0.00 57.88 57.03 3his h LEU 104 Cb 0.49 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.67 3his h LEU 104 CO 0.02 0.85 -0.68 0.49 0.09 0.00 0.00 178.44 179.21 3his n PHE 105 N -4.46 2.64 0.27 1.13 3.72 0.34 -4.92 117.46 116.18 3his n PHE 105 Ca -0.04 -4.06 0.13 0.00 -0.05 0.00 0.00 57.45 53.43 3his n PHE 105 Cb 0.35 -0.48 0.64 0.00 -0.94 0.00 0.00 39.48 39.05 3his n PHE 105 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3his h PRO 106 N 4.67 0.00 0.00 -1.08 0.13 -1.70 -0.27 132.00 133.75 3his h PRO 106 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3his h PRO 106 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3his h PRO 106 CO 0.71 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.41 3his h GLU 107 N 0.00 0.00 -2.06 0.86 3.07 -1.91 -3.24 114.58 111.30 3his h GLU 107 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3his h GLU 107 Cb 0.16 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.66 3his h GLU 107 CO 0.00 0.00 -1.00 0.00 -1.40 0.00 0.00 179.01 176.61 3his n ALA 108 N -1.98 3.03 -1.87 3.43 0.00 -0.11 -4.65 120.51 118.36 3his n ALA 108 Ca 0.00 -3.86 -0.34 0.00 0.00 0.00 0.00 53.44 49.23 3his n ALA 108 Cb 0.22 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3his n ALA 108 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3his s THR 109 N -3.22 4.38 0.00 0.00 -4.23 -1.23 -4.64 115.64 106.71 3his s THR 109 Ca 0.43 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 3his s THR 109 Cb 0.33 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.43 3his s THR 109 CO -0.10 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3his n GLY 110 N -0.15 -0.99 0.26 3.99 0.00 -1.26 -4.35 105.19 102.69 3his n GLY 110 Ca 0.04 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.62 3his n GLY 110 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3his h VAL 111 N 0.00 0.89 0.00 1.61 -1.51 -1.91 -1.85 116.25 113.48 3his h VAL 111 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3his h VAL 111 Cb 0.00 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3his h VAL 111 CO 0.00 0.04 0.00 -1.54 -1.23 0.00 0.00 177.57 174.84 3his n SER 112 N -4.30 0.42 -0.54 4.19 3.41 -1.26 -2.09 113.62 113.45 3his n SER 112 Ca -0.03 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 3his n SER 112 Cb 0.12 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.51 3his n SER 112 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3his n ASN 113 N -1.96 2.82 -3.92 4.04 3.02 -0.70 -4.93 115.26 113.63 3his n ASN 113 Ca 0.03 -2.08 -0.29 0.00 -0.03 0.00 0.00 54.58 52.20 3his n ASN 113 Cb 0.20 -0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 39.00 3his n ASN 113 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3his s GLN 114 N -1.15 1.58 -0.19 3.52 -0.21 -0.89 -1.22 119.66 121.10 3his s GLN 114 Ca 0.21 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.86 3his s GLN 114 Cb 0.12 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 3his s GLN 114 CO 0.12 -0.48 -0.05 -1.14 -2.12 0.00 0.00 175.29 171.63 3his s GLN 115 N 1.54 3.48 0.01 2.91 0.74 0.63 -4.90 119.66 124.07 3his s GLN 115 Ca -0.01 -0.59 -0.30 0.00 0.05 0.00 0.00 55.36 54.50 3his s GLN 115 Cb -0.16 -2.95 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 3his s GLN 115 CO -0.08 -0.02 1.24 -2.00 -0.55 0.00 0.00 175.29 173.89 3his s GLU 116 N 1.03 4.37 0.84 1.67 2.12 -1.26 -1.31 118.70 126.15 3his s GLU 116 Ca 0.01 1.78 -0.11 0.00 0.36 0.00 0.00 54.97 57.01 3his s GLU 116 Cb -0.15 -3.46 0.10 0.00 0.26 0.00 0.00 34.13 30.88 3his s GLU 116 CO 0.00 -0.39 1.10 -0.51 -0.54 0.00 0.00 175.26 174.93 3his s LEU 117 N 1.73 2.80 0.00 2.70 1.43 0.44 -4.90 118.68 122.87 3his s LEU 117 Ca 0.59 1.84 0.29 0.00 -1.03 0.00 0.00 54.13 55.82 3his s LEU 117 Cb -0.28 -4.40 1.25 0.00 0.03 0.00 0.00 46.19 42.79 3his s LEU 117 CO 0.26 -2.45 1.88 0.61 0.23 0.00 0.00 176.35 176.88 3his n GLY 118 N -0.81 -0.99 3.24 -3.19 0.00 -1.26 -3.85 105.19 98.33 3his n GLY 118 Ca 0.09 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 3his n GLY 118 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3his s TYR 119 N -2.50 1.34 0.49 1.61 1.13 -1.26 -4.92 117.35 113.24 3his s TYR 119 Ca 0.28 -0.62 -0.02 0.00 -1.41 0.00 0.00 57.07 55.31 3his s TYR 119 Cb 0.20 -0.69 0.10 0.00 -1.10 0.00 0.00 41.96 40.47 3his s TYR 119 CO 0.48 0.12 0.67 0.41 -2.51 0.00 0.00 175.55 174.72 3his n GLY 120 N 0.31 0.41 0.01 5.49 0.00 -1.26 -1.23 105.19 108.91 3his n GLY 120 Ca -0.14 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.05 3his n GLY 120 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3his n GLU 121 N -2.26 0.02 -1.89 1.61 0.28 -1.26 -4.15 120.64 112.99 3his n GLU 121 Ca 0.11 0.01 -0.33 0.00 -0.16 0.00 0.00 57.16 56.78 3his n GLU 121 Cb 0.38 -1.52 0.03 0.00 1.43 0.00 0.00 31.44 31.76 3his n GLU 121 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3his s SER 122 N -3.09 5.29 0.26 -1.84 1.04 -1.26 -4.81 113.70 109.29 3his s SER 122 Ca 0.13 2.02 -0.04 0.00 0.48 0.00 0.00 55.95 58.54 3his s SER 122 Cb 0.18 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 64.06 3his s SER 122 CO 0.60 -1.51 1.89 1.88 0.98 0.00 0.00 173.24 177.08 3his h TYR 123 N 0.31 1.12 -0.87 5.02 0.05 -1.99 -0.95 116.97 119.66 3his h TYR 123 Ca -0.47 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.29 3his h TYR 123 Cb 1.25 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 38.58 3his h TYR 123 CO 0.54 0.77 0.54 -1.35 -1.05 0.00 0.00 178.16 177.61 3his h PRO 124 N 1.15 1.17 -0.24 4.88 0.11 -1.96 0.34 132.00 137.46 3his h PRO 124 Ca 0.29 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 3his h PRO 124 Cb 0.01 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 3his h PRO 124 CO -0.05 0.81 0.06 1.96 -0.21 0.00 0.00 178.00 180.56 3his h GLN 125 N 1.20 0.38 -0.35 1.05 1.08 -1.71 -1.30 115.11 115.46 3his h GLN 125 Ca 0.32 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 3his h GLN 125 Cb -0.08 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3his h GLN 125 CO -0.06 0.49 -0.32 0.82 -0.95 0.00 0.00 178.83 178.82 3his h ILE 126 N 0.21 1.28 -0.89 2.54 2.04 -0.89 -2.58 117.51 119.22 3his h ILE 126 Ca 0.07 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 3his h ILE 126 Cb 0.28 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3his h ILE 126 CO 0.00 0.49 0.53 1.56 0.00 0.00 0.00 178.15 180.73 3his h GLN 127 N 0.63 1.21 -0.83 2.37 4.20 -0.29 -0.32 115.11 122.09 3his h GLN 127 Ca 0.06 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3his h GLN 127 Cb 0.90 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 3his h GLN 127 CO 0.08 0.85 0.36 -0.97 -0.67 0.00 0.00 178.83 178.48 3his h ASN 128 N 1.23 1.11 0.19 1.46 -1.24 -1.15 0.21 115.58 117.38 3his h ASN 128 Ca 0.32 -0.16 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 3his h ASN 128 Cb -0.05 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 3his h ASN 128 CO -0.06 0.96 -0.39 0.00 -1.29 0.00 0.00 177.43 176.65 3his h ALA 129 N 1.19 1.09 0.00 1.57 0.00 -0.99 -3.07 119.26 119.07 3his h ALA 129 Ca 0.28 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3his h ALA 129 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3his h ALA 129 CO -0.03 0.59 -0.78 0.00 0.00 0.00 0.00 179.25 179.03 3his h ALA 130 N 1.35 0.65 -0.00 0.00 0.00 -0.82 -3.36 119.26 117.08 3his h ALA 130 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3his h ALA 130 Cb 0.80 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3his h ALA 130 CO 0.06 0.16 -0.00 0.41 0.00 0.00 0.00 179.25 179.88 3his n GLY 131 N 1.19 0.37 3.09 0.00 0.00 0.71 -4.84 105.19 105.72 3his n GLY 131 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3his n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3his s VAL 132 N -1.74 0.23 0.45 1.61 -7.23 -1.15 -5.03 120.40 107.55 3his s VAL 132 Ca 0.00 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 3his s VAL 132 Cb 0.00 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 3his s VAL 132 CO 0.00 -0.97 0.69 0.42 -0.31 0.00 0.00 175.10 174.94 3his s THR 133 N -3.77 4.31 0.20 5.32 -4.23 -1.26 -4.48 115.64 111.73 3his s THR 133 Ca 0.06 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 3his s THR 133 Cb 0.07 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.46 3his s THR 133 CO -0.09 -0.47 1.68 0.03 -0.54 0.00 0.00 174.62 175.22 3his h ARG 134 N 0.37 0.15 -0.37 3.99 3.08 -1.97 0.30 114.38 119.92 3his h ARG 134 Ca -0.47 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.63 3his h ARG 134 Cb 1.24 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 3his h ARG 134 CO 0.59 0.10 0.09 1.96 -1.07 0.00 0.00 179.97 181.63 3his h GLN 135 N 0.15 0.21 -0.16 0.04 4.20 -1.94 -2.25 115.11 115.36 3his h GLN 135 Ca 0.29 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 3his h GLN 135 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3his h GLN 135 CO -0.45 0.14 -0.52 1.96 -0.67 0.00 0.00 178.83 179.28 3his h GLN 136 N 0.22 0.45 -0.03 1.46 4.20 -1.82 -2.45 115.11 117.13 3his h GLN 136 Ca 0.18 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 3his h GLN 136 Cb 0.20 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3his h GLN 136 CO -0.22 0.86 -0.55 0.00 -0.67 0.00 0.00 178.83 178.25 3his h ALA 137 N 1.09 1.03 -1.10 3.87 0.00 -0.56 -3.48 119.26 120.10 3his h ALA 137 Ca 0.01 -0.51 0.13 0.00 0.00 0.00 0.00 54.91 54.54 3his h ALA 137 Cb 1.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3his h ALA 137 CO 0.09 0.69 -0.17 0.41 0.00 0.00 0.00 179.25 180.28 3his n GLY 138 N 0.09 -2.11 3.10 0.00 0.00 -0.88 -5.00 105.19 100.39 3his n GLY 138 Ca -0.02 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 3his n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3his s LEU 139 N 0.00 2.35 0.00 0.99 1.43 0.07 -4.87 118.68 118.65 3his s LEU 139 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3his s LEU 139 Cb 0.00 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.09 3his s LEU 139 CO 0.00 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3his n GLY 140 N 0.91 3.60 0.27 -3.19 0.00 -1.26 -1.15 105.19 104.38 3his n GLY 140 Ca -0.19 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 3his n GLY 140 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3his h ILE 141 N 1.76 1.24 -0.56 -0.61 1.08 -1.94 -0.70 117.51 117.77 3his h ILE 141 Ca 0.00 -0.79 -0.08 0.00 -0.39 0.00 0.00 64.86 63.61 3his h ILE 141 Cb 0.00 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3his h ILE 141 CO 0.00 0.30 0.05 0.11 -0.69 0.00 0.00 178.15 177.92 3his h LYS 142 N 0.86 0.96 -0.43 2.37 1.57 -1.93 0.15 116.57 120.11 3his h LYS 142 Ca 0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3his h LYS 142 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3his h LYS 142 CO -0.01 0.94 0.28 0.87 -0.57 0.00 0.00 179.45 180.96 3his h LYS 143 N 0.85 0.56 -0.03 3.15 1.57 -1.86 0.15 116.57 120.95 3his h LYS 143 Ca 0.17 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3his h LYS 143 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3his h LYS 143 CO 0.02 0.37 -0.01 1.25 -0.57 0.00 0.00 179.45 180.50 3his h LEU 144 N 0.57 -0.05 -0.55 2.94 5.85 -0.76 -1.09 115.31 122.22 3his h LEU 144 Ca 0.16 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3his h LEU 144 Cb -0.06 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3his h LEU 144 CO -0.04 -0.02 0.35 0.00 -0.34 0.00 0.00 178.44 178.39 3his h ALA 145 N 1.02 0.70 -0.39 1.25 0.00 -0.41 -1.24 119.26 120.19 3his h ALA 145 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3his h ALA 145 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3his h ALA 145 CO -0.04 0.16 0.25 1.49 0.00 0.00 0.00 179.25 181.11 3his h GLU 146 N 0.74 0.50 -0.05 0.00 4.57 -0.59 -2.34 114.58 117.40 3his h GLU 146 Ca 0.20 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3his h GLU 146 Cb -0.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 3his h GLU 146 CO -0.04 0.33 -0.26 0.66 -1.18 0.00 0.00 179.01 178.52 3his h SER 147 N 0.51 0.08 1.17 1.04 4.64 -0.84 -2.38 113.55 117.77 3his h SER 147 Ca 0.14 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3his h SER 147 Cb -0.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3his h SER 147 CO -0.04 0.35 -0.29 -0.03 -0.87 0.00 0.00 176.83 175.95 3his h MET 148 N 0.08 0.00 0.00 4.77 1.85 -0.73 -2.42 114.93 118.48 3his h MET 148 Ca 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3his h MET 148 Cb 0.51 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.54 3his h MET 148 CO 0.04 0.29 0.00 1.79 -0.40 0.00 0.00 176.91 178.62 3his h THR 149 N 0.00 0.00 -0.26 -0.77 1.35 -0.96 -0.56 112.91 111.71 3his h THR 149 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3his h THR 149 Cb 0.95 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3his h THR 149 CO 0.04 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.60 3his n LYS 150 N -2.74 2.04 0.00 4.72 4.76 -0.91 -4.04 118.16 121.98 3his n LYS 150 Ca -0.02 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 3his n LYS 150 Cb 0.09 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3his n LYS 150 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3his n VAL 151 N 0.79 0.00 -2.67 -0.18 0.24 -0.36 -4.65 118.33 111.50 3his n VAL 151 Ca 0.17 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.05 3his n VAL 151 Cb 0.44 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 3his n VAL 151 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3his s ASN 152 N -1.36 6.26 -0.21 -1.34 3.04 -0.40 -3.83 114.94 117.09 3his s ASN 152 Ca 0.00 -0.90 0.00 0.00 0.04 0.00 0.00 52.86 52.00 3his s ASN 152 Cb 0.00 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 37.20 3his s ASN 152 CO 0.00 -1.61 0.00 0.61 -3.04 0.00 0.00 177.10 173.06 3his n GLY 153 N 5.63 0.41 3.29 1.21 0.00 0.69 -4.94 105.19 111.48 3his n GLY 153 Ca 0.08 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3his n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3his s VAL 154 N -2.10 0.69 0.37 1.61 -7.23 -1.19 -3.79 120.40 108.77 3his s VAL 154 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 3his s VAL 154 Cb 0.00 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 3his s VAL 154 CO 0.00 -0.25 1.40 0.00 -0.31 0.00 0.00 175.10 175.94 3his s ALA 155 N -3.65 3.49 0.11 1.32 0.00 -1.26 -3.31 121.76 118.45 3his s ALA 155 Ca 0.31 1.43 -0.31 0.00 0.00 0.00 0.00 51.96 53.38 3his s ALA 155 Cb 0.07 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3his s ALA 155 CO 0.09 -0.91 1.54 0.50 0.00 0.00 0.00 175.76 176.98 3his s ARG 156 N -2.04 4.24 -0.15 0.00 3.52 -1.26 -4.91 118.95 118.34 3his s ARG 156 Ca 0.53 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.38 3his s ARG 156 Cb -0.43 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3his s ARG 156 CO 0.58 -0.61 -0.12 0.08 -0.81 0.00 0.00 175.30 174.42 3his s VAL 157 N 1.75 1.44 0.18 7.11 1.01 -1.26 -5.05 120.40 125.58 3his s VAL 157 Ca 0.70 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 3his s VAL 157 Cb -0.40 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 34.69 3his s VAL 157 CO 0.31 0.37 1.66 -0.08 0.00 0.00 0.00 175.10 177.36 3his h GLU 158 N 8.07 0.02 -0.83 2.72 4.81 -1.94 -0.36 114.58 127.07 3his h GLU 158 Ca -0.34 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3his h GLU 158 Cb 1.13 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3his h GLU 158 CO 0.49 0.01 0.55 -0.22 -0.73 0.00 0.00 179.01 179.11 3his h LYS 159 N 0.02 1.05 -0.08 1.92 3.64 -1.94 0.72 116.57 121.91 3his h LYS 159 Ca 0.22 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3his h LYS 159 Cb 0.34 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3his h LYS 159 CO -0.45 0.70 -0.42 -0.44 -2.27 0.00 0.00 179.45 176.56 3his h ASP 160 N 1.08 0.51 -0.64 4.20 3.32 -1.65 -2.66 116.42 120.58 3his h ASP 160 Ca 0.31 -0.65 0.05 0.00 0.02 0.00 0.00 57.03 56.76 3his h ASP 160 Cb -0.07 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 3his h ASP 160 CO -0.08 1.08 0.36 -0.08 -1.72 0.00 0.00 179.24 178.80 3his h GLU 161 N -0.03 0.66 -0.37 3.56 4.81 -0.70 -2.18 114.58 120.33 3his h GLU 161 Ca -0.03 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 3his h GLU 161 Cb 1.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3his h GLU 161 CO 0.09 0.43 -0.17 0.00 -0.73 0.00 0.00 179.01 178.63 3his h ALA 162 N 1.32 1.02 -0.22 2.92 0.00 -0.83 -0.49 119.26 122.98 3his h ALA 162 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3his h ALA 162 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3his h ALA 162 CO -0.16 0.59 0.10 1.25 0.00 0.00 0.00 179.25 181.03 3his h LEU 163 N 0.60 0.29 -0.46 0.00 5.85 -1.24 0.10 115.31 120.46 3his h LEU 163 Ca 0.10 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3his h LEU 163 Cb 0.63 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3his h LEU 163 CO 0.04 0.33 0.03 0.15 -0.34 0.00 0.00 178.44 178.66 3his h PHE 164 N 0.22 0.03 -0.50 1.25 3.57 -1.10 -1.43 116.94 118.99 3his h PHE 164 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3his h PHE 164 Cb 0.12 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3his h PHE 164 CO -0.02 -0.07 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.81 3his h LEU 165 N 0.15 0.92 -0.46 0.59 3.38 -0.87 0.14 115.31 119.16 3his h LEU 165 Ca 0.23 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3his h LEU 165 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3his h LEU 165 CO -0.35 1.04 0.24 0.25 0.09 0.00 0.00 178.44 179.70 3his h LEU 166 N 0.83 0.34 -0.15 1.67 5.85 -0.31 -1.40 115.31 122.14 3his h LEU 166 Ca 0.13 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3his h LEU 166 Cb 0.64 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3his h LEU 166 CO 0.04 0.24 -0.30 0.40 -0.34 0.00 0.00 178.44 178.49 3his h ILE 167 N 0.47 1.36 -0.13 4.05 2.04 -1.06 -3.33 117.51 120.90 3his h ILE 167 Ca 0.20 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.40 3his h ILE 167 Cb 0.10 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3his h ILE 167 CO -0.13 0.47 -0.41 1.62 0.00 0.00 0.00 178.15 179.69 3his h VAL 168 N 0.10 1.31 0.00 1.67 3.04 -0.76 0.21 116.25 121.81 3his h VAL 168 Ca 0.01 -1.53 -0.03 0.00 -1.01 0.00 0.00 66.70 64.14 3his h VAL 168 Cb 0.89 1.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.83 3his h VAL 168 CO 0.07 0.46 -0.15 -0.37 -1.01 0.00 0.00 177.57 176.57 3his h VAL 169 N 0.24 0.42 0.12 1.51 -1.51 -1.38 -0.06 116.25 115.60 3his h VAL 169 Ca 0.02 -0.83 -0.32 0.00 -1.23 0.00 0.00 66.70 64.35 3his h VAL 169 Cb 0.83 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3his h VAL 169 CO 0.07 0.14 -1.65 1.56 -1.23 0.00 0.00 177.57 176.46 3his h GLN 170 N 0.00 0.26 -0.03 5.19 4.20 -1.50 -1.92 115.11 121.31 3his h GLN 170 Ca -0.00 -0.45 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 3his h GLN 170 Cb 0.58 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3his h GLN 170 CO 0.02 1.21 -0.23 0.52 -0.67 0.00 0.00 178.83 179.68 3his h MET 171 N -0.17 0.06 0.00 1.46 2.86 -0.73 -1.17 114.93 117.24 3his h MET 171 Ca -0.35 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3his h MET 171 Cb 1.88 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.53 3his h MET 171 CO 0.07 0.29 -0.17 0.28 1.06 0.00 0.00 176.91 178.43 3his n VAL 172 N -4.24 0.26 0.19 -2.22 0.31 -0.06 -4.49 118.33 108.08 3his n VAL 172 Ca -0.02 0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 64.61 3his n VAL 172 Cb 0.30 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 3his n VAL 172 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3his h GLY 173 N -0.17 -0.51 1.26 2.92 0.00 -1.51 -1.75 103.07 103.32 3his h GLY 173 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 3his h GLY 173 CO 0.00 -0.18 -0.08 0.83 0.00 0.00 0.00 176.54 177.11 3his h GLU 174 N -0.78 0.88 -0.01 4.80 4.39 -1.29 -0.97 114.58 121.59 3his h GLU 174 Ca -0.05 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 3his h GLU 174 Cb 0.52 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3his h GLU 174 CO 0.08 0.92 -0.49 0.00 -1.16 0.00 0.00 179.01 178.37 3his h ALA 175 N 1.11 1.18 -0.38 3.43 0.00 -1.27 0.04 119.26 123.36 3his h ALA 175 Ca 0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3his h ALA 175 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3his h ALA 175 CO 0.04 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.94 3his h ALA 176 N 1.49 0.51 -0.80 0.00 0.00 -0.69 -3.15 119.26 116.63 3his h ALA 176 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3his h ALA 176 Cb 0.87 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3his h ALA 176 CO 0.06 0.24 0.40 0.00 0.00 0.00 0.00 179.25 179.95 3his h ARG 177 N 0.48 1.14 -4.19 0.00 3.08 -0.88 -3.21 114.38 110.80 3his h ARG 177 Ca 0.11 -0.16 -0.60 0.00 0.07 0.00 0.00 59.98 59.41 3his h ARG 177 Cb 0.40 -0.21 -0.39 0.00 0.08 0.00 0.00 29.97 29.85 3his h ARG 177 CO 0.01 0.87 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.94 3his s PHE 178 N -5.67 2.18 0.57 3.04 0.40 -0.03 0.32 117.98 118.79 3his s PHE 178 Ca -0.12 -1.65 0.27 0.00 -0.60 0.00 0.00 56.93 54.83 3his s PHE 178 Cb 0.17 -1.54 1.55 0.00 0.51 0.00 0.00 43.02 43.70 3his s PHE 178 CO 0.82 -0.76 2.07 0.87 0.70 0.00 0.00 175.22 178.92 3his h LYS 179 N 8.00 0.00 -0.62 0.44 1.79 -1.25 -1.08 116.57 123.85 3his h LYS 179 Ca -0.17 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.43 3his h LYS 179 Cb 1.07 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.63 3his h LYS 179 CO 0.41 0.00 0.07 -0.92 -1.08 0.00 0.00 179.45 177.93 3his h TYR 180 N 0.00 0.09 -0.06 -1.35 5.03 -1.25 0.22 116.97 119.66 3his h TYR 180 Ca 0.12 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.31 3his h TYR 180 Cb 0.61 0.05 0.01 0.00 1.55 0.00 0.00 36.73 38.95 3his h TYR 180 CO 0.00 -0.10 -0.62 0.82 -1.32 0.00 0.00 178.16 176.94 3his h ILE 181 N 0.19 1.37 -0.51 1.81 2.04 -1.51 -2.32 117.51 118.58 3his h ILE 181 Ca 0.33 -1.98 0.10 0.00 1.00 0.00 0.00 64.86 64.31 3his h ILE 181 Cb 0.52 2.35 -0.08 0.00 -0.74 0.00 0.00 36.82 38.86 3his h ILE 181 CO -0.47 0.59 0.01 -0.08 0.00 0.00 0.00 178.15 178.20 3his h GLU 182 N 0.10 0.12 -0.95 2.37 4.81 -1.16 -1.69 114.58 118.18 3his h GLU 182 Ca -0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3his h GLU 182 Cb 1.29 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 3his h GLU 182 CO 0.13 0.08 0.59 -0.91 -0.73 0.00 0.00 179.01 178.17 3his h ASN 183 N 0.13 1.13 -0.71 1.04 2.35 -0.46 -0.40 115.58 118.66 3his h ASN 183 Ca 0.26 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3his h ASN 183 Cb 0.39 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3his h ASN 183 CO -0.42 0.85 0.27 -0.07 -1.65 0.00 0.00 177.43 176.40 3his h LEU 184 N 1.30 0.99 -0.24 1.61 3.38 -0.81 0.12 115.31 121.67 3his h LEU 184 Ca 0.34 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3his h LEU 184 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3his h LEU 184 CO -0.07 0.91 0.14 0.58 0.09 0.00 0.00 178.44 180.09 3his h VAL 185 N 1.02 1.03 -0.96 1.22 2.07 -0.82 -2.83 116.25 116.98 3his h VAL 185 Ca 0.23 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3his h VAL 185 Cb 0.24 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3his h VAL 185 CO -0.02 0.05 0.63 -0.07 0.02 0.00 0.00 177.57 178.19 3his h LEU 186 N 0.28 1.10 0.00 2.57 3.38 -0.55 -2.13 115.31 119.97 3his h LEU 186 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3his h LEU 186 Cb -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3his h LEU 186 CO -0.04 0.80 0.00 0.59 0.09 0.00 0.00 178.44 179.88 3his n ASN 187 N -4.39 0.00 -0.72 -0.43 3.02 0.36 -2.66 115.26 110.44 3his n ASN 187 Ca 0.11 0.44 0.05 0.00 -0.03 0.00 0.00 54.58 55.16 3his n ASN 187 Cb 0.02 -0.48 0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3his n ASN 187 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3his n ASN 188 N -1.48 1.30 0.02 6.41 3.02 -0.97 -4.87 115.26 118.68 3his n ASN 188 Ca 0.05 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.78 3his n ASN 188 Cb 0.23 -0.38 0.23 0.00 -0.61 0.00 0.00 39.78 39.25 3his n ASN 188 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3his h PHE 189 N 0.58 0.53 -0.30 3.10 3.57 -1.17 -3.27 116.94 119.98 3his h PHE 189 Ca -0.06 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3his h PHE 189 Cb 1.34 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3his h PHE 189 CO 0.30 0.64 0.00 -0.25 -2.23 0.00 0.00 178.31 176.76 3his n ASP 190 N -4.17 3.12 -4.93 0.41 8.00 -1.26 -4.94 116.55 112.78 3his n ASP 190 Ca 0.00 -1.91 -0.27 0.00 0.71 0.00 0.00 54.79 53.33 3his n ASP 190 Cb 0.36 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3his n ASP 190 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3his s THR 191 N -1.36 5.13 0.24 -3.53 -4.23 -1.23 -5.01 115.64 105.64 3his s THR 191 Ca 0.32 -0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3his s THR 191 Cb 0.19 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 70.32 3his s THR 191 CO 0.26 -0.33 1.68 0.00 -0.54 0.00 0.00 174.62 175.70 3his h ALA 192 N 1.55 0.97 0.00 3.99 0.00 -1.92 -3.13 119.26 120.72 3his h ALA 192 Ca -0.48 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 3his h ALA 192 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3his h ALA 192 CO 0.65 0.60 -0.53 0.87 0.00 0.00 0.00 179.25 180.85 3his h LYS 193 N 0.63 0.00 0.00 0.00 1.57 -1.95 -3.48 116.57 113.34 3his h LYS 193 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3his h LYS 193 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3his h LYS 193 CO 0.05 0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.48 3his n GLU 194 N -3.01 0.00 -3.07 3.15 1.02 -1.19 -4.16 120.64 113.39 3his n GLU 194 Ca 0.01 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.71 3his n GLU 194 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.99 3his n GLU 194 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3his s VAL 195 N 0.00 4.74 -0.29 2.62 1.01 -0.30 -4.91 120.40 123.27 3his s VAL 195 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3his s VAL 195 Cb 0.00 -4.41 0.15 0.00 0.00 0.00 0.00 36.38 32.12 3his s VAL 195 CO 0.00 -0.97 0.60 -0.70 0.00 0.00 0.00 175.10 174.02 3his s GLU 196 N 2.97 0.54 0.90 2.72 2.12 -1.26 -0.75 118.70 125.94 3his s GLU 196 Ca 0.17 1.20 -0.13 0.00 0.36 0.00 0.00 54.97 56.57 3his s GLU 196 Cb -0.19 0.64 0.14 0.00 0.26 0.00 0.00 34.13 34.98 3his s GLU 196 CO 0.12 -0.39 1.19 -1.25 -0.54 0.00 0.00 175.26 174.39 3his s PRO 197 N 2.84 1.20 0.03 4.30 0.04 -1.26 -5.07 135.00 137.07 3his s PRO 197 Ca 0.06 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 3his s PRO 197 Cb -0.13 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3his s PRO 197 CO -0.19 -2.11 1.49 0.08 0.04 0.00 0.00 177.00 176.31 3his s VAL 198 N -3.52 3.47 0.65 -0.36 1.01 -0.92 -4.96 120.40 115.77 3his s VAL 198 Ca 0.66 0.87 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 3his s VAL 198 Cb -0.11 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3his s VAL 198 CO 0.52 -0.00 1.26 -2.84 0.00 0.00 0.00 175.10 174.04 3his s PRO 199 N 2.48 2.55 0.28 2.72 0.02 -1.26 -4.73 135.00 137.05 3his s PRO 199 Ca 0.67 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.68 3his s PRO 199 Cb -0.34 -1.86 0.63 0.00 0.02 0.00 0.00 34.50 32.95 3his s PRO 199 CO 0.29 -1.57 1.75 -0.44 -0.33 0.00 0.00 177.00 176.69 3his h ASP 200 N 0.46 0.53 0.09 2.53 3.32 -2.00 -1.81 116.42 119.54 3his h ASP 200 Ca -0.50 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3his h ASP 200 Cb 1.32 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3his h ASP 200 CO 0.53 0.17 -0.15 0.03 -1.72 0.00 0.00 179.24 178.09 3his h ARG 201 N 0.59 0.15 -0.25 3.56 3.08 -1.99 -0.30 114.38 119.23 3his h ARG 201 Ca 0.52 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.48 3his h ARG 201 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3his h ARG 201 CO -0.41 0.31 -0.04 0.28 -1.07 0.00 0.00 179.97 179.04 3his h VAL 202 N 0.14 1.28 -0.95 2.04 2.07 -1.69 -0.54 116.25 118.59 3his h VAL 202 Ca 0.03 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3his h VAL 202 Cb 0.37 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3his h VAL 202 CO 0.02 0.32 0.63 0.40 0.02 0.00 0.00 177.57 178.96 3his h ILE 203 N 0.21 1.22 -0.09 4.57 1.08 -1.16 -1.11 117.51 122.23 3his h ILE 203 Ca 0.06 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3his h ILE 203 Cb 0.49 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3his h ILE 203 CO 0.02 0.23 0.03 0.40 -0.69 0.00 0.00 178.15 178.14 3his h ILE 204 N 1.26 1.16 -0.90 -0.67 2.04 -0.94 -3.04 117.51 116.42 3his h ILE 204 Ca 0.36 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.79 3his h ILE 204 Cb -0.11 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3his h ILE 204 CO -0.09 0.14 0.56 -0.07 0.00 0.00 0.00 178.15 178.70 3his h LEU 205 N -0.03 0.88 -2.08 1.44 3.38 -0.69 -0.79 115.31 117.42 3his h LEU 205 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3his h LEU 205 Cb 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3his h LEU 205 CO -0.00 0.55 0.00 -0.33 0.09 0.00 0.00 178.44 178.75 3his h GLU 206 N 1.01 0.00 -0.17 1.13 5.08 -1.10 -0.22 114.58 120.31 3his h GLU 206 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3his h GLU 206 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3his h GLU 206 CO -0.18 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.12 3his n ASN 207 N -2.71 2.61 -0.48 1.42 4.05 -0.31 -4.59 115.26 115.26 3his n ASN 207 Ca -0.02 -1.85 0.00 0.00 0.45 0.00 0.00 54.58 53.17 3his n ASN 207 Cb 0.09 -0.10 0.01 0.00 1.23 0.00 0.00 39.78 41.01 3his n ASN 207 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3his n ASN 208 N 0.98 0.11 -0.11 1.20 3.02 -0.10 -4.88 115.26 115.49 3his n ASN 208 Ca 0.17 -2.05 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 3his n ASN 208 Cb 0.50 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3his n ASN 208 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3his h TRP 209 N 0.00 0.53 -0.44 3.10 7.01 -1.79 -0.47 115.95 123.89 3his h TRP 209 Ca 0.00 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 3his h TRP 209 Cb 1.38 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 3his h TRP 209 CO 0.09 0.55 0.21 0.78 -2.79 0.00 0.00 178.44 177.29 3his h GLY 210 N 0.36 0.68 0.99 2.65 0.00 -1.93 -0.90 103.07 104.94 3his h GLY 210 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3his h GLY 210 CO -0.00 0.32 0.39 -2.00 0.00 0.00 0.00 176.54 175.25 3his h LEU 211 N 0.57 0.68 -0.69 3.11 6.46 -1.87 -0.44 115.31 123.13 3his h LEU 211 Ca 0.15 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 3his h LEU 211 Cb 0.11 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3his h LEU 211 CO -0.02 0.49 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.79 3his h LEU 212 N 0.80 0.54 -0.39 2.25 3.38 -0.92 -1.16 115.31 119.81 3his h LEU 212 Ca 0.22 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3his h LEU 212 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3his h LEU 212 CO -0.05 0.90 0.01 0.28 0.09 0.00 0.00 178.44 179.67 3his h SER 213 N 0.41 0.67 -0.74 -0.43 0.02 -0.76 0.12 113.55 112.84 3his h SER 213 Ca 0.03 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3his h SER 213 Cb 0.92 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3his h SER 213 CO 0.08 0.80 0.32 0.03 -1.14 0.00 0.00 176.83 176.93 3his h ARG 214 N 0.51 1.08 -0.15 3.45 3.08 -0.98 -1.94 114.38 119.44 3his h ARG 214 Ca 0.11 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3his h ARG 214 Cb 0.46 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3his h ARG 214 CO 0.02 0.87 -0.42 0.00 -1.07 0.00 0.00 179.97 179.37 3his h ALA 215 N 1.16 1.01 -0.61 0.04 0.00 -1.04 -2.73 119.26 117.09 3his h ALA 215 Ca 0.25 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3his h ALA 215 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3his h ALA 215 CO -0.03 0.62 0.07 0.00 0.00 0.00 0.00 179.25 179.91 3his h ALA 216 N 1.28 0.97 -0.12 0.00 0.00 -0.36 -2.12 119.26 118.91 3his h ALA 216 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3his h ALA 216 Cb 0.86 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3his h ALA 216 CO 0.07 0.64 0.09 -0.22 0.00 0.00 0.00 179.25 179.83 3his h LYS 217 N 0.95 0.00 -0.54 0.00 3.64 -1.04 -1.48 116.57 118.09 3his h LYS 217 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3his h LYS 217 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3his h LYS 217 CO 0.02 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.45 3his n THR 218 N -4.49 0.78 -1.58 1.00 -2.24 -1.03 -4.32 114.28 102.40 3his n THR 218 Ca -0.00 -0.89 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 3his n THR 218 Cb 0.21 0.71 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3his n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3his s ALA 219 N -1.18 2.67 -0.35 6.98 0.00 -0.58 -4.10 121.76 125.19 3his s ALA 219 Ca 0.41 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 3his s ALA 219 Cb 0.23 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.26 3his s ALA 219 CO 0.30 -1.24 0.09 -0.80 0.00 0.00 0.00 175.76 174.12 3his s ASN 220 N -3.82 5.05 -1.48 0.00 -0.87 0.19 -4.45 114.94 109.57 3his s ASN 220 Ca 0.58 -1.66 -0.07 0.00 -1.57 0.00 0.00 52.86 50.14 3his s ASN 220 Cb -0.14 -1.76 0.05 0.00 -0.02 0.00 0.00 41.25 39.38 3his s ASN 220 CO 0.55 -0.39 0.68 0.59 -2.57 0.00 0.00 177.10 175.96 3his n ASN 221 N 4.59 -2.15 0.00 -1.22 3.02 -0.57 -1.44 115.26 117.48 3his n ASN 221 Ca -0.07 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3his n ASN 221 Cb 0.42 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 3his n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3his n GLY 222 N -1.72 1.68 3.58 7.41 0.00 0.40 -4.94 105.19 111.60 3his n GLY 222 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3his n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3his s VAL 223 N -2.34 5.19 0.32 1.61 1.01 -0.52 -0.59 120.40 125.09 3his s VAL 223 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 3his s VAL 223 Cb 0.00 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 3his s VAL 223 CO 0.00 0.05 1.28 0.49 0.00 0.00 0.00 175.10 176.92 3his n PHE 224 N 5.32 2.17 -0.24 5.22 3.72 -0.42 -0.64 117.46 132.60 3his n PHE 224 Ca -0.09 0.55 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 3his n PHE 224 Cb 0.50 -2.41 0.12 0.00 -0.94 0.00 0.00 39.48 36.76 3his n PHE 224 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3his h GLN 225 N 2.70 0.61 -4.88 -1.08 4.15 -1.83 -3.39 115.11 111.38 3his h GLN 225 Ca -0.45 -0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.39 3his h GLN 225 Cb 1.29 -0.14 -0.33 0.00 0.21 0.00 0.00 27.48 28.51 3his h GLN 225 CO 0.64 0.41 -0.83 0.99 -1.93 0.00 0.00 178.83 178.11 3his s THR 226 N -6.07 1.32 0.42 2.39 2.01 -1.26 -5.10 115.64 109.35 3his s THR 226 Ca -0.13 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 3his s THR 226 Cb 0.17 -1.17 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 3his s THR 226 CO 0.76 0.39 0.99 -2.65 -0.69 0.00 0.00 174.62 173.43 3his n PRO 227 N 3.53 1.31 -4.29 4.92 -0.02 -1.26 -4.98 135.00 134.21 3his n PRO 227 Ca -0.21 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 3his n PRO 227 Cb 0.52 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 3his n PRO 227 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3his s LEU 228 N -0.49 3.71 -0.45 2.45 1.43 -0.43 -4.97 118.68 119.93 3his s LEU 228 Ca 0.63 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3his s LEU 228 Cb -0.56 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 43.92 3his s LEU 228 CO 0.57 0.38 0.30 -0.69 0.23 0.00 0.00 176.35 177.14 3his s VAL 229 N -0.90 3.89 0.02 -1.59 1.01 -1.26 -0.88 120.40 120.68 3his s VAL 229 Ca 0.13 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.01 3his s VAL 229 Cb -0.11 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3his s VAL 229 CO 0.03 -0.75 0.64 -0.76 0.00 0.00 0.00 175.10 174.26 3his s LEU 230 N 1.28 4.44 0.23 3.92 1.43 0.22 -4.89 118.68 125.30 3his s LEU 230 Ca 0.07 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 3his s LEU 230 Cb -0.25 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3his s LEU 230 CO -0.02 0.09 0.22 0.42 0.23 0.00 0.00 176.35 177.29 3his s THR 231 N -0.24 0.00 -0.18 5.49 -4.23 -1.26 -1.00 115.64 114.22 3his s THR 231 Ca 0.33 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 3his s THR 231 Cb -0.19 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.24 3his s THR 231 CO 0.19 0.00 0.47 -0.55 -0.54 0.00 0.00 174.62 174.19 3his s SER 232 N -3.16 -0.50 0.61 3.99 0.15 -1.26 -4.87 113.70 108.66 3his s SER 232 Ca 0.36 0.96 0.29 0.00 0.70 0.00 0.00 55.95 58.26 3his s SER 232 Cb 0.05 0.96 1.56 0.00 -1.71 0.00 0.00 66.02 66.89 3his s SER 232 CO 0.13 -0.17 1.95 0.10 1.20 0.00 0.00 173.24 176.45 3his h TYR 233 N 5.48 0.00 0.00 3.44 -0.00 -1.98 -0.95 116.97 122.97 3his h TYR 233 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.45 3his h TYR 233 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3his h TYR 233 CO 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 178.41 3his n ALA 234 N -2.22 2.56 -3.51 0.10 0.00 -1.26 -3.98 120.51 112.20 3his n ALA 234 Ca 0.04 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 3his n ALA 234 Cb 0.52 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 3his n ALA 234 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3his n VAL 235 N -1.74 0.29 -2.08 0.00 0.24 -0.36 -5.11 118.33 109.58 3his n VAL 235 Ca 0.06 -4.25 -0.41 0.00 -2.04 0.00 0.00 64.34 57.70 3his n VAL 235 Cb 0.37 -1.94 -0.02 0.00 -1.47 0.00 0.00 33.84 30.78 3his n VAL 235 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3his s PRO 236 N -1.03 4.32 0.00 7.34 0.04 -1.25 -2.47 135.00 141.95 3his s PRO 236 Ca 0.32 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3his s PRO 236 Cb 0.06 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3his s PRO 236 CO -0.14 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.01 3his n GLY 237 N 1.49 1.35 3.77 0.56 0.00 -1.26 -5.03 105.19 106.06 3his n GLY 237 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3his n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3his s VAL 238 N -2.83 4.88 0.05 1.61 1.01 -1.03 -5.11 120.40 118.97 3his s VAL 238 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3his s VAL 238 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3his s VAL 238 CO 0.00 0.60 -0.13 -1.61 0.00 0.00 0.00 175.10 173.96 3his s GLU 239 N -0.87 0.83 -0.26 2.72 2.02 -1.26 -4.59 118.70 117.29 3his s GLU 239 Ca 0.13 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.36 3his s GLU 239 Cb -0.12 -0.82 0.07 0.00 0.10 0.00 0.00 34.13 33.37 3his s GLU 239 CO 0.03 0.19 -0.05 -0.46 0.02 0.00 0.00 175.26 175.00 3his s TRP 240 N -0.98 2.76 -0.12 1.61 -0.00 -0.17 -4.96 118.94 117.07 3his s TRP 240 Ca -0.01 -2.07 -0.22 0.00 -0.00 0.00 0.00 56.10 53.81 3his s TRP 240 Cb -0.08 -1.85 -0.03 0.00 -0.00 0.00 0.00 33.47 31.50 3his s TRP 240 CO 0.01 -0.83 0.67 0.50 -0.00 0.00 0.00 176.95 177.30 3his s ARG 241 N 1.27 4.34 0.07 5.86 3.52 -1.26 -0.61 118.95 132.14 3his s ARG 241 Ca -0.04 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.40 3his s ARG 241 Cb -0.19 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3his s ARG 241 CO -0.07 -0.07 -0.16 0.14 -0.81 0.00 0.00 175.30 174.33 3his s VAL 242 N 1.29 1.29 -0.03 7.11 -7.23 -0.06 -4.99 120.40 117.77 3his s VAL 242 Ca 0.34 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 3his s VAL 242 Cb -0.17 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 3his s VAL 242 CO 0.14 -0.08 0.09 0.35 -0.31 0.00 0.00 175.10 175.29 3his n THR 243 N 1.48 0.00 -4.10 5.32 -2.24 -1.26 -1.32 114.28 112.16 3his n THR 243 Ca -0.19 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 3his n THR 243 Cb 0.54 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.20 3his n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3his s THR 244 N -2.05 0.57 0.31 4.28 -4.23 -1.26 -1.30 115.64 111.96 3his s THR 244 Ca -0.01 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 3his s THR 244 Cb 0.02 -1.04 0.29 0.00 1.34 0.00 0.00 72.50 73.12 3his s THR 244 CO 0.14 -0.60 1.86 0.58 -0.54 0.00 0.00 174.62 176.06 3his h VAL 245 N 3.87 0.92 -0.74 2.29 2.07 -1.23 -2.52 116.25 120.91 3his h VAL 245 Ca -0.35 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3his h VAL 245 Cb 1.19 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3his h VAL 245 CO 0.51 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.75 3his h ALA 246 N 1.55 2.01 0.00 1.67 0.00 -1.97 -2.32 119.26 120.20 3his h ALA 246 Ca 0.46 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3his h ALA 246 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3his h ALA 246 CO -0.22 -0.19 -0.33 0.93 0.00 0.00 0.00 179.25 179.43 3his h GLU 247 N 0.49 0.00 -0.02 0.00 5.08 -1.85 -2.84 114.58 115.45 3his h GLU 247 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3his h GLU 247 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3his h GLU 247 CO -0.12 0.33 -0.16 1.33 -1.00 0.00 0.00 179.01 179.38 3his n VAL 248 N -4.11 0.00 -3.79 3.13 0.24 -0.88 -4.99 118.33 107.93 3his n VAL 248 Ca -0.02 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 3his n VAL 248 Cb 0.37 0.83 0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3his n VAL 248 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3his n GLU 249 N 0.15 -0.94 -1.89 7.34 1.02 -1.07 -4.38 120.64 120.87 3his n GLU 249 Ca 0.14 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 57.31 3his n GLU 249 Cb 0.43 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.39 3his n GLU 249 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3his s ILE 250 N -3.40 2.25 -0.21 -3.67 -1.09 -1.26 -0.95 121.20 112.87 3his s ILE 250 Ca 0.40 0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 3his s ILE 250 Cb -0.17 -3.14 -0.13 0.00 -1.58 0.00 0.00 42.46 37.44 3his s ILE 250 CO 0.90 0.04 -0.03 0.61 -1.23 0.00 0.00 174.94 175.22 3his n GLY 251 N 0.59 -0.77 3.22 6.18 0.00 0.15 -4.08 105.19 110.48 3his n GLY 251 Ca 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3his n GLY 251 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3his s ILE 252 N -2.41 -0.00 0.29 -0.61 2.07 -0.85 -4.36 121.20 115.33 3his s ILE 252 Ca -0.28 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 58.72 3his s ILE 252 Cb 0.07 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 42.10 3his s ILE 252 CO 0.48 0.00 0.87 -0.36 -1.91 0.00 0.00 174.94 174.02 3his s PHE 253 N 0.20 3.70 0.40 3.50 0.08 -0.24 -4.74 117.98 120.88 3his s PHE 253 Ca -0.00 1.67 -0.27 0.00 0.12 0.00 0.00 56.93 58.44 3his s PHE 253 Cb -0.02 -2.83 -0.10 0.00 -0.57 0.00 0.00 43.02 39.50 3his s PHE 253 CO 0.00 0.27 1.42 -1.17 -0.10 0.00 0.00 175.22 175.63 3his s LEU 254 N -1.98 4.25 -0.19 -0.37 2.96 -1.26 -1.38 118.68 120.72 3his s LEU 254 Ca 0.47 2.90 -0.29 0.00 -0.22 0.00 0.00 54.13 56.99 3his s LEU 254 Cb -0.18 -3.79 -0.01 0.00 0.50 0.00 0.00 46.19 42.71 3his s LEU 254 CO 0.23 -0.92 1.26 0.21 -1.32 0.00 0.00 176.35 175.81 3his s ASN 255 N -0.39 6.91 -0.05 3.68 2.47 -1.26 -4.74 114.94 121.55 3his s ASN 255 Ca 0.55 1.61 0.11 0.00 0.42 0.00 0.00 52.86 55.55 3his s ASN 255 Cb -0.43 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.11 3his s ASN 255 CO 0.57 -0.81 1.22 1.33 -3.72 0.00 0.00 177.10 175.70 3his n VAL 256 N 5.50 1.39 0.82 -5.21 0.24 -1.26 -5.07 118.33 114.73 3his n VAL 256 Ca 0.14 -1.33 0.07 0.00 -2.04 0.00 0.00 64.34 61.17 3his n VAL 256 Cb 0.45 0.25 0.39 0.00 -1.47 0.00 0.00 33.84 33.46 3his n VAL 256 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16