#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuu h HIS -1 N 0.00 0.00 -0.01 1.57 -0.00 -2.12 -3.28 115.15 111.30 2nuu h HIS -1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2nuu h HIS -1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2nuu h HIS -1 CO 0.00 0.62 0.00 -2.39 -0.00 0.00 0.00 177.93 176.16 2nuu n HIS 0 N -3.30 0.01 -2.43 6.12 -0.00 -1.26 -4.86 115.22 109.51 2nuu n HIS 0 Ca 0.01 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 2nuu n HIS 0 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.73 2nuu n HIS 0 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2nuu s HIS 1 N -1.99 3.20 0.23 -1.40 5.65 -1.24 -5.03 115.29 114.71 2nuu s HIS 1 Ca 0.43 1.19 0.11 0.00 0.25 0.00 0.00 55.06 57.04 2nuu s HIS 1 Cb 0.21 -3.45 -0.05 0.00 -1.18 0.00 0.00 32.58 28.12 2nuu s HIS 1 CO 0.35 -1.43 -0.21 -3.38 -0.65 0.00 0.00 174.74 169.41 2nuu s HIS 2 N 1.99 2.32 0.22 3.88 0.00 -1.26 -5.12 115.29 117.31 2nuu s HIS 2 Ca 0.57 -0.34 -0.24 0.00 -3.00 0.00 0.00 55.06 52.06 2nuu s HIS 2 Cb -0.26 -1.09 -0.09 0.00 -4.00 0.00 0.00 32.58 27.14 2nuu s HIS 2 CO 0.24 0.59 0.80 0.00 -1.00 0.00 0.00 174.74 175.38 2nuu s ALA 3 N -2.04 3.38 -0.15 -1.38 0.00 -1.26 -5.04 121.76 115.28 2nuu s ALA 3 Ca 0.25 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2nuu s ALA 3 Cb -0.07 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2nuu s ALA 3 CO 0.12 0.28 0.19 0.14 0.00 0.00 0.00 175.76 176.49 2nuu s VAL 4 N -1.37 5.38 0.41 0.00 -7.23 -1.26 -4.75 120.40 111.59 2nuu s VAL 4 Ca 0.41 0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 60.67 2nuu s VAL 4 Cb -0.20 -3.51 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 2nuu s VAL 4 CO 0.24 0.50 1.21 0.00 -0.31 0.00 0.00 175.10 176.74 2nuu s ALA 5 N -0.19 3.15 -0.33 1.32 0.00 -1.26 -4.83 121.76 119.62 2nuu s ALA 5 Ca 0.14 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2nuu s ALA 5 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2nuu s ALA 5 CO 0.03 -0.64 0.39 0.34 0.00 0.00 0.00 175.76 175.87 2nuu s ASP 6 N -1.04 6.21 0.44 0.00 2.15 0.11 -4.94 116.67 119.59 2nuu s ASP 6 Ca 0.58 -0.11 0.18 0.00 0.43 0.00 0.00 52.55 53.63 2nuu s ASP 6 Cb -0.33 -2.21 1.10 0.00 -0.30 0.00 0.00 42.92 41.18 2nuu s ASP 6 CO 0.41 -0.34 1.90 0.11 -0.17 0.00 0.00 175.17 177.09 2nuu h LYS 7 N 8.41 0.36 -0.40 4.34 1.57 -1.94 0.45 116.57 129.36 2nuu h LYS 7 Ca -0.30 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.35 2nuu h LYS 7 Cb 1.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2nuu h LYS 7 CO 0.70 0.24 -0.19 0.00 -0.57 0.00 0.00 179.45 179.62 2nuu h ALA 8 N 1.64 0.92 -0.06 3.86 0.00 -1.94 -0.67 119.26 123.01 2nuu h ALA 8 Ca 0.39 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2nuu h ALA 8 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2nuu h ALA 8 CO -0.12 0.62 -0.85 -0.44 0.00 0.00 0.00 179.25 178.46 2nuu h ASP 9 N 0.67 0.65 0.20 0.00 3.32 -1.36 -1.90 116.42 117.99 2nuu h ASP 9 Ca 0.10 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 2nuu h ASP 9 Cb 0.69 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2nuu h ASP 9 CO 0.05 1.24 -0.14 0.78 -1.72 0.00 0.00 179.24 179.45 2nuu h ASN 10 N 0.33 -0.37 -0.24 6.45 2.35 -0.75 0.39 115.58 123.74 2nuu h ASN 10 Ca -0.06 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2nuu h ASN 10 Cb 1.46 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.92 2nuu h ASN 10 CO 0.15 -0.23 0.03 0.00 -1.65 0.00 0.00 177.43 175.74 2nuu h ALA 11 N 0.44 0.24 -0.16 -0.83 0.00 -1.13 0.12 119.26 117.93 2nuu h ALA 11 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nuu h ALA 11 Cb 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2nuu h ALA 11 CO -0.00 -0.39 0.09 0.35 0.00 0.00 0.00 179.25 179.30 2nuu h PHE 12 N 0.12 0.17 -0.23 0.00 3.57 -1.15 -1.58 116.94 117.84 2nuu h PHE 12 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 2nuu h PHE 12 Cb 0.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2nuu h PHE 12 CO -0.17 0.10 -0.33 0.52 -2.23 0.00 0.00 178.31 176.20 2nuu h MET 13 N 0.19 0.47 -0.18 1.11 2.86 -0.71 0.65 114.93 119.32 2nuu h MET 13 Ca 0.06 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2nuu h MET 13 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2nuu h MET 13 CO -0.03 0.74 0.01 0.52 1.06 0.00 0.00 176.91 179.21 2nuu h MET 14 N 0.41 0.31 -0.66 1.72 2.86 -0.78 -0.72 114.93 118.06 2nuu h MET 14 Ca 0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2nuu h MET 14 Cb 0.77 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2nuu h MET 14 CO 0.06 0.50 0.38 0.82 1.06 0.00 0.00 176.91 179.74 2nuu h ILE 15 N 0.08 1.20 -0.44 -1.22 1.08 -1.15 -1.79 117.51 115.27 2nuu h ILE 15 Ca 0.05 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2nuu h ILE 15 Cb 0.35 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2nuu h ILE 15 CO 0.01 0.21 0.19 0.00 -0.69 0.00 0.00 178.15 177.87 2nuu h THR 17 N 0.62 1.24 -0.73 0.00 2.02 -0.49 -1.16 112.91 114.40 2nuu h THR 17 Ca 0.15 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.53 2nuu h THR 17 Cb 0.11 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2nuu h THR 17 CO -0.02 0.29 0.45 0.00 0.37 0.00 0.00 175.52 176.62 2nuu h ALA 18 N 0.94 0.97 -0.81 6.16 0.00 -0.50 -0.71 119.26 125.31 2nuu h ALA 18 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nuu h ALA 18 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 18 CO 0.01 0.22 0.40 -0.07 0.00 0.00 0.00 179.25 179.80 2nuu h LEU 19 N 0.87 1.04 -0.45 0.00 3.38 -0.63 0.22 115.31 119.75 2nuu h LEU 19 Ca 0.30 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 2nuu h LEU 19 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2nuu h LEU 19 CO -0.13 0.87 -0.71 0.58 0.09 0.00 0.00 178.44 179.14 2nuu h VAL 20 N 1.15 1.39 -0.23 1.22 2.07 -0.66 -2.81 116.25 118.37 2nuu h VAL 20 Ca 0.28 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.59 2nuu h VAL 20 Cb 0.09 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2nuu h VAL 20 CO -0.04 0.64 -0.21 -0.07 0.02 0.00 0.00 177.57 177.91 2nuu h LEU 21 N 0.25 0.41 -1.83 2.57 3.38 -0.72 -1.30 115.31 118.06 2nuu h LEU 21 Ca -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2nuu h LEU 21 Cb 1.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2nuu h LEU 21 CO 0.12 0.63 -0.14 0.15 0.09 0.00 0.00 178.44 179.29 2nuu h PHE 22 N 0.37 0.00 -0.43 1.13 3.57 -0.77 -0.47 116.94 120.35 2nuu h PHE 22 Ca 0.06 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2nuu h PHE 22 Cb 0.58 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2nuu h PHE 22 CO 0.02 0.14 -0.09 0.52 -2.23 0.00 0.00 178.31 176.66 2nuu h MET 23 N 0.00 0.75 0.00 1.11 2.86 -0.99 -2.61 114.93 116.06 2nuu h MET 23 Ca -0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2nuu h MET 23 Cb 0.30 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2nuu h MET 23 CO 0.02 0.83 -0.23 1.15 1.06 0.00 0.00 176.91 179.74 2nuu h THR 24 N 0.69 0.00 -3.02 2.22 2.02 -1.41 0.54 112.91 113.94 2nuu h THR 24 Ca 0.12 -0.78 -0.72 0.00 0.77 0.00 0.00 66.41 65.79 2nuu h THR 24 Cb 0.56 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 66.76 2nuu h THR 24 CO 0.03 0.00 0.18 -0.63 0.37 0.00 0.00 175.52 175.48 2nuu s ILE 25 N -1.74 5.00 -1.11 3.11 -1.09 -0.24 -2.68 121.20 122.44 2nuu s ILE 25 Ca -0.07 -1.41 0.16 0.00 -2.23 0.00 0.00 60.65 57.10 2nuu s ILE 25 Cb 0.01 -4.51 -0.09 0.00 -1.58 0.00 0.00 42.46 36.28 2nuu s ILE 25 CO 0.10 -1.14 0.76 -0.81 -1.23 0.00 0.00 174.94 172.62 2nuu n PRO 26 N 5.81 1.74 0.00 2.79 -0.04 -1.17 -4.13 135.00 139.99 2nuu n PRO 26 Ca -0.01 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 2nuu n PRO 26 Cb 0.44 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2nuu n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nuu n GLY 27 N 1.28 -1.06 0.16 0.55 0.00 -0.99 -0.73 105.19 104.40 2nuu n GLY 27 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2nuu n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nuu h ILE 28 N 0.00 1.35 -0.64 -0.61 6.09 0.06 -2.13 117.51 121.64 2nuu h ILE 28 Ca 0.00 -1.70 -0.09 0.00 -1.37 0.00 0.00 64.86 61.70 2nuu h ILE 28 Cb 0.00 1.90 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 2nuu h ILE 28 CO 0.00 0.49 0.05 0.00 -3.07 0.00 0.00 178.15 175.61 2nuu h ALA 29 N 1.49 0.87 0.09 0.18 0.00 -1.27 -0.26 119.26 120.35 2nuu h ALA 29 Ca -0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 2nuu h ALA 29 Cb 0.88 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2nuu h ALA 29 CO 0.07 0.67 -1.14 -0.07 0.00 0.00 0.00 179.25 178.78 2nuu h LEU 30 N 1.01 0.39 0.32 0.00 3.38 -0.89 0.10 115.31 119.61 2nuu h LEU 30 Ca 0.19 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2nuu h LEU 30 Cb 0.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2nuu h LEU 30 CO 0.02 1.27 -0.21 0.15 0.09 0.00 0.00 178.44 179.76 2nuu h PHE 31 N 0.10 -0.55 -0.03 1.13 3.57 -1.19 -1.22 116.94 118.75 2nuu h PHE 31 Ca -0.11 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.17 2nuu h PHE 31 Cb 1.84 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.78 2nuu h PHE 31 CO 0.05 -0.33 -0.88 1.88 -2.23 0.00 0.00 178.31 176.81 2nuu h TYR 32 N -0.52 0.61 -0.75 0.41 0.05 -1.13 -3.18 116.97 112.46 2nuu h TYR 32 Ca -0.03 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2nuu h TYR 32 Cb 0.44 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 2nuu h TYR 32 CO -0.10 1.12 0.49 0.78 -1.05 0.00 0.00 178.16 179.40 2nuu h GLY 33 N 1.22 1.07 2.00 3.88 0.00 -0.89 -2.45 103.07 107.90 2nuu h GLY 33 Ca -0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2nuu h GLY 33 CO 0.15 0.40 -0.54 -1.33 0.00 0.00 0.00 176.54 175.23 2nuu h GLY 34 N 1.03 0.00 2.00 4.60 0.00 -1.26 -3.27 103.07 106.17 2nuu h GLY 34 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 2nuu h GLY 34 CO -0.06 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.49 2nuu h LEU 35 N 0.00 0.00 0.00 3.11 3.38 -1.42 -2.53 115.31 117.85 2nuu h LEU 35 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 2nuu h LEU 35 Cb 1.20 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.00 2nuu h LEU 35 CO 0.07 0.40 0.04 2.30 0.09 0.00 0.00 178.44 181.34 2nuu n ILE 36 N -3.61 0.00 -2.23 1.22 -5.35 -1.14 -3.48 119.36 104.77 2nuu n ILE 36 Ca -0.01 -1.42 -0.31 0.00 -0.27 0.00 0.00 62.75 60.74 2nuu n ILE 36 Cb 0.51 -0.84 -0.01 0.00 -1.74 0.00 0.00 39.64 37.56 2nuu n ILE 36 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2nuu s ARG 37 N -4.51 3.73 0.20 6.28 0.52 -1.26 -1.53 118.95 122.38 2nuu s ARG 37 Ca 0.54 0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 56.36 2nuu s ARG 37 Cb -0.03 -2.17 0.26 0.00 0.52 0.00 0.00 34.95 33.54 2nuu s ARG 37 CO 0.35 -0.37 1.68 0.78 0.02 0.00 0.00 175.30 177.76 2nuu h GLY 38 N 0.31 0.65 1.34 -3.53 0.00 -1.91 -1.32 103.07 98.61 2nuu h GLY 38 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2nuu h GLY 38 CO 0.62 -0.16 0.00 0.58 0.00 0.00 0.00 176.54 177.59 2nuu n LYS 39 N -5.22 0.00 0.00 4.80 2.85 -1.26 -2.68 118.16 116.65 2nuu n LYS 39 Ca 0.08 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 2nuu n LYS 39 Cb 0.32 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 2nuu n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2nuu n ASN 40 N -1.17 0.28 -0.20 -5.58 3.02 -0.52 -2.60 115.26 108.47 2nuu n ASN 40 Ca 0.00 -0.64 -0.01 0.00 -0.03 0.00 0.00 54.58 53.90 2nuu n ASN 40 Cb 0.00 0.27 0.09 0.00 -0.61 0.00 0.00 39.78 39.54 2nuu n ASN 40 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2nuu h VAL 41 N 0.23 0.87 -0.23 2.41 3.04 -1.27 -2.21 116.25 119.10 2nuu h VAL 41 Ca 0.00 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2nuu h VAL 41 Cb 0.11 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2nuu h VAL 41 CO 0.00 0.09 0.10 -0.07 -1.01 0.00 0.00 177.57 176.68 2nuu h LEU 42 N 0.51 0.27 -0.74 3.16 3.38 -1.89 -1.39 115.31 118.62 2nuu h LEU 42 Ca 0.29 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2nuu h LEU 42 Cb 0.27 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2nuu h LEU 42 CO -0.23 0.25 0.29 0.77 0.09 0.00 0.00 178.44 179.61 2nuu h SER 43 N 0.31 1.03 -0.11 -0.43 4.64 -1.74 -1.65 113.55 115.60 2nuu h SER 43 Ca 0.08 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2nuu h SER 43 Cb 0.06 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2nuu h SER 43 CO -0.01 0.93 -0.00 -0.03 -0.87 0.00 0.00 176.83 176.84 2nuu h MET 44 N 1.08 0.20 -0.74 4.77 1.85 -1.14 -1.69 114.93 119.26 2nuu h MET 44 Ca 0.25 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 2nuu h MET 44 Cb 0.22 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 2nuu h MET 44 CO -0.02 0.45 0.47 -0.07 -0.40 0.00 0.00 176.91 177.34 2nuu h LEU 45 N -0.08 0.86 -0.23 3.39 3.38 -1.18 -2.32 115.31 119.12 2nuu h LEU 45 Ca 0.03 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2nuu h LEU 45 Cb 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2nuu h LEU 45 CO 0.01 0.64 -0.87 0.74 0.09 0.00 0.00 178.44 179.04 2nuu h THR 46 N 1.01 1.38 -0.28 0.22 2.02 -1.27 -2.13 112.91 113.86 2nuu h THR 46 Ca 0.27 -2.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.11 2nuu h THR 46 Cb -0.09 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2nuu h THR 46 CO -0.06 0.70 0.10 1.56 0.37 0.00 0.00 175.52 178.20 2nuu h GLN 47 N 0.27 0.43 -0.54 6.66 4.20 -1.02 -0.75 115.11 124.36 2nuu h GLN 47 Ca -0.06 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 2nuu h GLN 47 Cb 1.49 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.18 2nuu h GLN 47 CO 0.15 0.46 0.15 0.28 -0.67 0.00 0.00 178.83 179.20 2nuu h VAL 48 N 0.30 1.24 0.13 -0.54 2.07 -1.47 -0.11 116.25 117.88 2nuu h VAL 48 Ca 0.09 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2nuu h VAL 48 Cb 0.20 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2nuu h VAL 48 CO -0.01 0.31 -0.06 0.74 0.02 0.00 0.00 177.57 178.57 2nuu h THR 49 N 0.75 0.98 -0.40 2.57 2.02 -1.23 -0.63 112.91 116.96 2nuu h THR 49 Ca 0.17 -0.45 -0.15 0.00 0.77 0.00 0.00 66.41 66.75 2nuu h THR 49 Cb 0.31 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2nuu h THR 49 CO -0.00 0.11 -0.34 0.58 0.37 0.00 0.00 175.52 176.23 2nuu h VAL 50 N -0.39 1.27 -0.01 3.16 2.07 -1.14 -1.41 116.25 119.80 2nuu h VAL 50 Ca -0.02 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 2nuu h VAL 50 Cb 0.31 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2nuu h VAL 50 CO 0.03 0.51 -0.34 0.71 0.02 0.00 0.00 177.57 178.50 2nuu h THR 51 N 0.78 1.25 0.55 2.57 1.35 -1.04 -0.60 112.91 117.76 2nuu h THR 51 Ca 0.07 -1.18 -0.03 0.00 -0.55 0.00 0.00 66.41 64.72 2nuu h THR 51 Cb 0.93 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2nuu h THR 51 CO 0.09 0.34 -0.26 0.15 -0.25 0.00 0.00 175.52 175.58 2nuu h PHE 52 N 0.01 -0.68 -0.18 4.73 3.57 -0.75 -1.75 116.94 121.89 2nuu h PHE 52 Ca -0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2nuu h PHE 52 Cb 0.61 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2nuu h PHE 52 CO 0.00 -0.36 -0.25 0.00 -2.23 0.00 0.00 178.31 175.46 2nuu h ALA 53 N -0.53 -0.20 -0.73 2.41 0.00 -0.87 -1.42 119.26 117.91 2nuu h ALA 53 Ca -0.07 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2nuu h ALA 53 Cb 0.62 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2nuu h ALA 53 CO 0.12 -0.70 0.23 1.25 0.00 0.00 0.00 179.25 180.16 2nuu h LEU 54 N -0.29 0.14 -0.02 0.00 5.85 -1.11 -1.23 115.31 118.64 2nuu h LEU 54 Ca 0.11 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2nuu h LEU 54 Cb 0.47 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2nuu h LEU 54 CO -0.34 0.03 0.00 0.58 -0.34 0.00 0.00 178.44 178.37 2nuu h VAL 55 N 0.35 1.20 -0.90 1.05 2.07 -0.66 -1.40 116.25 117.96 2nuu h VAL 55 Ca 0.41 -0.59 0.17 0.00 0.82 0.00 0.00 66.70 67.51 2nuu h VAL 55 Cb 0.66 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 2nuu h VAL 55 CO -0.45 0.16 0.48 0.00 0.02 0.00 0.00 177.57 177.77 2nuu h ILE 57 N 0.62 0.32 -0.97 0.00 1.08 -1.05 -2.91 117.51 114.60 2nuu h ILE 57 Ca 0.51 -0.57 0.13 0.00 -0.39 0.00 0.00 64.86 64.53 2nuu h ILE 57 Cb 0.79 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 34.93 2nuu h ILE 57 CO -0.40 0.06 0.60 -0.07 -0.69 0.00 0.00 178.15 177.66 2nuu h LEU 58 N -1.03 0.86 -0.61 1.44 3.38 -0.94 -1.47 115.31 116.95 2nuu h LEU 58 Ca -0.06 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2nuu h LEU 58 Cb 0.56 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2nuu h LEU 58 CO 0.10 0.44 0.38 -0.25 0.09 0.00 0.00 178.44 179.20 2nuu h TRP 59 N 0.92 0.71 0.07 1.13 2.91 -0.73 0.11 115.95 121.08 2nuu h TRP 59 Ca 0.49 0.02 -0.24 0.00 1.13 0.00 0.00 58.89 60.29 2nuu h TRP 59 Cb 0.53 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2nuu h TRP 59 CO -0.02 0.42 -1.10 -0.39 -1.03 0.00 0.00 178.44 176.32 2nuu h VAL 60 N 0.76 1.53 0.74 2.65 -1.51 -1.18 0.16 116.25 119.39 2nuu h VAL 60 Ca 0.24 -2.99 -0.04 0.00 -1.23 0.00 0.00 66.70 62.68 2nuu h VAL 60 Cb -0.01 2.79 0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2nuu h VAL 60 CO -0.09 0.87 -0.36 0.58 -1.23 0.00 0.00 177.57 177.35 2nuu h VAL 61 N 0.08 0.00 0.00 7.19 2.07 -1.17 -3.08 116.25 121.35 2nuu h VAL 61 Ca -0.09 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2nuu h VAL 61 Cb 1.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2nuu h VAL 61 CO 0.17 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 2nuu n TYR 62 N -5.21 0.00 0.12 1.57 0.18 -0.69 0.39 117.16 113.52 2nuu n TYR 62 Ca -0.12 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.52 2nuu n TYR 62 Cb 0.39 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.29 2nuu n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2nuu h GLY 63 N 0.00 -0.74 0.94 -7.48 0.00 -0.66 -2.42 103.07 92.71 2nuu h GLY 63 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.79 2nuu h GLY 63 CO 0.00 -0.26 0.31 -1.82 0.00 0.00 0.00 176.54 174.76 2nuu h TYR 64 N -0.61 0.58 -0.87 5.60 3.20 -0.96 -2.52 116.97 121.39 2nuu h TYR 64 Ca 0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2nuu h TYR 64 Cb 0.64 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2nuu h TYR 64 CO -0.32 0.35 0.57 1.03 -1.64 0.00 0.00 178.16 178.14 2nuu h SER 65 N 0.62 0.93 0.66 -2.11 0.87 -1.76 -0.45 113.55 112.31 2nuu h SER 65 Ca 0.19 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 2nuu h SER 65 Cb -0.03 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2nuu h SER 65 CO -0.06 0.64 -0.92 -0.07 -0.53 0.00 0.00 176.83 175.89 2nuu h LEU 66 N 1.08 0.21 0.16 2.23 3.38 -1.24 -2.52 115.31 118.62 2nuu h LEU 66 Ca 0.34 -0.19 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 2nuu h LEU 66 Cb 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2nuu h LEU 66 CO -0.10 1.02 -1.85 0.00 0.09 0.00 0.00 178.44 177.60 2nuu h ALA 67 N 0.96 0.28 -0.22 1.53 0.00 -1.25 -0.06 119.26 120.51 2nuu h ALA 67 Ca -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.62 2nuu h ALA 67 Cb 1.57 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2nuu h ALA 67 CO 0.14 1.15 0.00 1.19 0.00 0.00 0.00 179.25 181.73 2nuu n PHE 68 N -3.54 0.28 -3.51 0.00 3.01 -0.20 -4.22 117.46 109.29 2nuu n PHE 68 Ca -0.27 -0.32 -0.30 0.00 1.01 0.00 0.00 57.45 57.57 2nuu n PHE 68 Cb 1.06 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 40.48 2nuu n PHE 68 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2nuu s GLY 69 N -0.96 2.06 0.14 1.37 0.00 -0.96 -5.01 107.32 103.97 2nuu s GLY 69 Ca 0.19 -0.54 -0.32 0.00 0.00 0.00 0.00 44.72 44.05 2nuu s GLY 69 CO 0.14 -0.44 1.79 -2.21 0.00 0.00 0.00 173.10 172.38 2nuu n GLU 70 N -0.39 2.73 0.00 2.90 2.13 -1.26 -4.07 120.64 122.67 2nuu n GLU 70 Ca -0.02 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2nuu n GLU 70 Cb 0.53 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.38 2nuu n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nuu n GLY 71 N 4.10 3.96 0.00 8.31 0.00 -1.26 -4.04 105.19 116.27 2nuu n GLY 71 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2nuu n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nuu n ASN 72 N 0.00 0.00 -0.01 1.61 0.23 -1.17 -5.01 115.26 110.92 2nuu n ASN 72 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 2nuu n ASN 72 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 2nuu n ASN 72 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2nuu n ASN 73 N 0.00 0.90 0.00 0.53 4.13 -1.26 -4.53 115.26 115.03 2nuu n ASN 73 Ca 0.00 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.31 2nuu n ASN 73 Cb 0.00 0.99 0.00 0.00 -1.54 0.00 0.00 39.78 39.23 2nuu n ASN 73 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2nuu n PHE 74 N -1.41 0.00 -4.22 3.10 3.01 -1.26 -1.90 117.46 114.78 2nuu n PHE 74 Ca 0.04 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.22 2nuu n PHE 74 Cb 0.29 0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.75 2nuu n PHE 74 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2nuu s PHE 75 N -1.89 1.93 0.00 1.38 2.99 -1.26 -4.41 117.98 116.73 2nuu s PHE 75 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 56.93 56.11 2nuu s PHE 75 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 43.02 41.19 2nuu s PHE 75 CO 0.00 -0.10 0.00 0.41 -0.00 0.00 0.00 175.22 175.53 2nuu n GLY 76 N -1.48 1.15 3.55 4.36 0.00 -0.04 -3.01 105.19 109.72 2nuu n GLY 76 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2nuu n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s ASN 77 N 0.45 0.21 0.00 1.61 2.20 -1.14 -4.14 114.94 114.13 2nuu s ASN 77 Ca 0.00 -1.13 0.09 0.00 -0.94 0.00 0.00 52.86 50.88 2nuu s ASN 77 Cb 0.00 0.61 0.27 0.00 -2.00 0.00 0.00 41.25 40.12 2nuu s ASN 77 CO 0.00 -1.20 1.22 -0.38 -2.94 0.00 0.00 177.10 173.80 2nuu n ILE 78 N -0.43 1.00 0.27 0.54 2.08 -1.26 -2.95 119.36 118.61 2nuu n ILE 78 Ca -0.01 -1.00 0.18 0.00 0.56 0.00 0.00 62.75 62.48 2nuu n ILE 78 Cb 0.62 0.50 0.94 0.00 -0.75 0.00 0.00 39.64 40.95 2nuu n ILE 78 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2nuu h ASN 79 N 1.76 0.00 -1.58 4.38 4.21 -1.94 -2.92 115.58 119.50 2nuu h ASN 79 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 2nuu h ASN 79 Cb 0.70 0.00 -0.42 0.00 -1.12 0.00 0.00 38.32 37.48 2nuu h ASN 79 CO 0.00 0.00 -0.75 0.79 -1.29 0.00 0.00 177.43 176.18 2nuu n TRP 80 N -2.75 3.34 -2.43 1.19 8.01 -1.26 -4.51 117.44 119.04 2nuu n TRP 80 Ca -0.02 -3.20 -0.42 0.00 -1.31 0.00 0.00 57.50 52.54 2nuu n TRP 80 Cb 0.10 -0.14 -0.03 0.00 -2.01 0.00 0.00 31.31 29.23 2nuu n TRP 80 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2nuu s LEU 81 N -3.50 4.33 -1.40 -0.99 1.98 -1.10 -2.74 118.68 115.26 2nuu s LEU 81 Ca 0.47 1.93 -0.05 0.00 -2.89 0.00 0.00 54.13 53.59 2nuu s LEU 81 Cb 0.39 -3.57 0.03 0.00 0.66 0.00 0.00 46.19 43.70 2nuu s LEU 81 CO -0.17 -0.52 0.43 0.23 -1.89 0.00 0.00 176.35 174.43 2nuu n MET 82 N 4.50 -3.71 -1.10 1.98 2.81 0.16 -1.40 117.12 120.36 2nuu n MET 82 Ca 0.10 0.71 -0.03 0.00 -1.81 0.00 0.00 57.70 56.67 2nuu n MET 82 Cb 0.46 -5.47 -0.01 0.00 -0.71 0.00 0.00 33.22 27.49 2nuu n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2nuu n LEU 83 N -3.66 0.52 -4.74 4.03 4.77 -1.11 -4.98 117.00 111.83 2nuu n LEU 83 Ca -0.09 0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 2nuu n LEU 83 Cb 0.60 -2.43 0.07 0.00 -2.33 0.00 0.00 43.42 39.32 2nuu n LEU 83 CO 0.43 -0.95 0.82 -1.59 -1.33 0.00 0.00 177.39 174.77 2nuu s LYS 84 N -2.18 2.52 0.00 3.23 -2.85 -0.49 -2.60 119.74 117.37 2nuu s LYS 84 Ca 0.00 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.75 2nuu s LYS 84 Cb 0.00 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 2nuu s LYS 84 CO 0.00 -1.55 0.00 0.09 0.10 0.00 0.00 175.35 173.99 2nuu n ASN 85 N -2.23 0.00 -4.61 0.03 4.13 -1.26 -4.16 115.26 107.16 2nuu n ASN 85 Ca 0.13 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.97 2nuu n ASN 85 Cb 0.50 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 2nuu n ASN 85 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2nuu s ILE 86 N -0.70 4.56 0.42 2.41 1.01 -1.07 -5.02 121.20 122.81 2nuu s ILE 86 Ca 0.00 1.32 -0.21 0.00 0.00 0.00 0.00 60.65 61.75 2nuu s ILE 86 Cb 0.00 -4.36 -0.11 0.00 0.01 0.00 0.00 42.46 38.00 2nuu s ILE 86 CO 0.00 -0.53 0.94 -1.61 0.00 0.00 0.00 174.94 173.74 2nuu s GLU 87 N 3.54 4.26 0.31 2.79 2.02 -1.26 -4.97 118.70 125.40 2nuu s GLU 87 Ca 0.40 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.53 2nuu s GLU 87 Cb -0.12 -2.25 0.54 0.00 0.10 0.00 0.00 34.13 32.41 2nuu s GLU 87 CO 0.18 0.01 1.95 1.25 0.02 0.00 0.00 175.26 178.67 2nuu h LEU 88 N 2.04 0.87 -0.27 1.80 5.85 -1.97 -2.05 115.31 121.59 2nuu h LEU 88 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2nuu h LEU 88 Cb 1.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2nuu h LEU 88 CO 0.61 0.59 0.00 0.35 -0.34 0.00 0.00 178.44 179.66 2nuu n THR 89 N -4.45 0.07 -1.98 1.05 -2.24 -1.26 -4.78 114.28 100.69 2nuu n THR 89 Ca 0.11 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 2nuu n THR 89 Cb 0.13 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 2nuu n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nuu s ALA 90 N -1.93 3.58 -0.10 6.98 0.00 -0.77 -4.95 121.76 124.56 2nuu s ALA 90 Ca 0.21 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2nuu s ALA 90 Cb 0.10 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2nuu s ALA 90 CO 0.16 -0.80 -0.10 0.08 0.00 0.00 0.00 175.76 175.10 2nuu s VAL 91 N -0.67 3.36 -0.33 0.00 1.01 -1.26 -1.09 120.40 121.41 2nuu s VAL 91 Ca 0.54 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2nuu s VAL 91 Cb -0.43 -2.39 0.10 0.00 0.00 0.00 0.00 36.38 33.66 2nuu s VAL 91 CO 0.52 0.55 0.08 -0.32 0.00 0.00 0.00 175.10 175.93 2nuu s MET 92 N -0.16 1.14 4.29 2.72 0.00 0.55 -4.78 119.30 123.05 2nuu s MET 92 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 55.69 54.17 2nuu s MET 92 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 34.83 32.06 2nuu s MET 92 CO 0.03 -0.97 0.00 0.41 0.00 0.00 0.00 175.02 174.49 2nuu n GLY 93 N 4.49 1.51 0.67 2.11 0.00 -1.26 -3.21 105.19 109.49 2nuu n GLY 93 Ca 0.01 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.54 2nuu n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nuu n SER 94 N 6.49 1.44 -4.25 1.61 3.41 -1.26 -4.92 113.62 116.13 2nuu n SER 94 Ca 0.00 -2.98 -0.14 0.00 -0.26 0.00 0.00 58.87 55.49 2nuu n SER 94 Cb 0.00 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 2nuu n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2nuu s ILE 95 N -1.90 0.30 -0.01 -1.33 -4.36 -1.20 -0.71 121.20 111.98 2nuu s ILE 95 Ca 0.30 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.41 2nuu s ILE 95 Cb 0.30 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 2nuu s ILE 95 CO -0.06 -0.08 0.95 -0.31 0.24 0.00 0.00 174.94 175.67 2nuu s TYR 96 N -3.94 3.65 0.52 1.37 1.51 -1.26 -0.33 117.35 118.87 2nuu s TYR 96 Ca 0.36 1.64 0.36 0.00 -1.01 0.00 0.00 57.07 58.43 2nuu s TYR 96 Cb 0.07 -3.08 1.52 0.00 -0.11 0.00 0.00 41.96 40.36 2nuu s TYR 96 CO 0.11 -0.00 1.74 0.37 -1.11 0.00 0.00 175.55 176.66 2nuu h GLN 97 N 6.80 0.05 -0.35 -0.62 4.15 -1.41 0.32 115.11 124.05 2nuu h GLN 97 Ca -0.41 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.03 2nuu h GLN 97 Cb 1.22 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2nuu h GLN 97 CO 0.75 0.04 0.24 1.88 -1.93 0.00 0.00 178.83 179.80 2nuu h TYR 98 N 0.06 0.40 -0.32 3.99 -1.99 -1.86 0.33 116.97 117.57 2nuu h TYR 98 Ca 0.66 0.01 -0.17 0.00 2.00 0.00 0.00 58.73 61.23 2nuu h TYR 98 Cb 2.48 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 41.07 2nuu h TYR 98 CO -0.00 0.24 -0.47 0.82 -0.00 0.00 0.00 178.16 178.75 2nuu h ILE 99 N 0.42 1.28 -0.92 -2.88 2.04 -0.75 -2.77 117.51 113.93 2nuu h ILE 99 Ca 0.14 -1.65 0.03 0.00 1.00 0.00 0.00 64.86 64.37 2nuu h ILE 99 Cb 0.03 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2nuu h ILE 99 CO -0.03 0.54 0.60 -0.74 0.00 0.00 0.00 178.15 178.52 2nuu h HIS 100 N 0.68 1.13 0.34 1.37 2.76 -0.97 0.06 115.15 120.53 2nuu h HIS 100 Ca 0.04 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2nuu h HIS 100 Cb 1.06 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2nuu h HIS 100 CO 0.06 0.67 -0.26 0.28 -1.30 0.00 0.00 177.93 177.38 2nuu h VAL 101 N 1.18 0.46 -0.39 5.26 2.07 -1.00 -0.60 116.25 123.24 2nuu h VAL 101 Ca 0.36 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 2nuu h VAL 101 Cb -0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2nuu h VAL 101 CO -0.11 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.64 2nuu h ALA 102 N -0.01 0.50 -0.38 1.67 0.00 -1.25 0.15 119.26 119.94 2nuu h ALA 102 Ca -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2nuu h ALA 102 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2nuu h ALA 102 CO -0.00 0.10 0.21 0.35 0.00 0.00 0.00 179.25 179.91 2nuu h PHE 103 N 0.48 0.40 0.00 0.00 3.57 -0.83 -0.73 116.94 119.83 2nuu h PHE 103 Ca 0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2nuu h PHE 103 Cb 0.17 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2nuu h PHE 103 CO -0.00 0.22 -0.38 1.96 -2.23 0.00 0.00 178.31 177.89 2nuu h GLN 104 N 0.43 0.00 -0.48 1.11 1.08 -1.01 -3.03 115.11 113.21 2nuu h GLN 104 Ca 0.15 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 2nuu h GLN 104 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2nuu h GLN 104 CO -0.08 0.38 -0.18 0.78 -0.95 0.00 0.00 178.83 178.77 2nuu h GLY 105 N 1.87 1.05 2.00 3.46 0.00 -0.13 -2.79 103.07 108.54 2nuu h GLY 105 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.38 2nuu h GLY 105 CO 0.05 0.83 -0.16 1.48 0.00 0.00 0.00 176.54 178.74 2nuu h SER 106 N 0.82 0.00 -0.22 0.19 4.64 -1.04 -2.44 113.55 115.51 2nuu h SER 106 Ca 0.11 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 2nuu h SER 106 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2nuu h SER 106 CO 0.06 0.16 -0.36 -0.26 -0.87 0.00 0.00 176.83 175.56 2nuu h PHE 107 N 0.00 0.78 -0.65 4.77 -1.00 -1.46 -2.53 116.94 116.85 2nuu h PHE 107 Ca -0.00 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 2nuu h PHE 107 Cb 0.43 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 2nuu h PHE 107 CO 0.00 1.02 0.24 0.00 -1.61 0.00 0.00 178.31 177.95 2nuu h ALA 108 N 0.62 0.84 0.47 2.45 0.00 -1.37 -2.18 119.26 120.09 2nuu h ALA 108 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2nuu h ALA 108 Cb 0.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2nuu h ALA 108 CO 0.08 0.48 -0.45 0.00 0.00 0.00 0.00 179.25 179.36 2nuu h ILE 110 N -0.93 1.10 -0.34 0.00 6.09 -1.40 -1.58 117.51 120.47 2nuu h ILE 110 Ca -0.05 -0.31 0.04 0.00 -1.37 0.00 0.00 64.86 63.17 2nuu h ILE 110 Cb 0.81 0.12 -0.04 0.00 0.47 0.00 0.00 36.82 38.18 2nuu h ILE 110 CO -0.06 0.16 0.10 0.74 -3.07 0.00 0.00 178.15 176.03 2nuu h THR 111 N 0.90 0.89 -0.43 2.19 2.02 -0.98 -1.12 112.91 116.37 2nuu h THR 111 Ca 0.31 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.31 2nuu h THR 111 Cb 0.08 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2nuu h THR 111 CO -0.09 0.04 -0.10 0.58 0.37 0.00 0.00 175.52 176.32 2nuu h VAL 112 N 0.24 1.26 0.00 3.16 2.07 -0.82 -2.69 116.25 119.47 2nuu h VAL 112 Ca 0.15 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2nuu h VAL 112 Cb 0.14 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2nuu h VAL 112 CO -0.17 0.39 -0.13 1.23 0.02 0.00 0.00 177.57 178.92 2nuu h GLY 113 N 0.97 0.00 0.82 2.17 0.00 -0.49 -2.93 103.07 103.61 2nuu h GLY 113 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2nuu h GLY 113 CO 0.04 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.77 2nuu h LEU 114 N 0.00 0.52 -0.38 3.11 3.38 -0.88 -3.32 115.31 117.74 2nuu h LEU 114 Ca -0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2nuu h LEU 114 Cb 0.36 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2nuu h LEU 114 CO 0.02 0.91 0.05 0.40 0.09 0.00 0.00 178.44 179.91 2nuu h ILE 115 N 0.14 0.78 -1.23 1.22 2.04 -1.54 -3.09 117.51 115.82 2nuu h ILE 115 Ca 0.03 -0.06 0.43 0.00 1.00 0.00 0.00 64.86 66.25 2nuu h ILE 115 Cb 0.78 0.59 -0.14 0.00 -0.74 0.00 0.00 36.82 37.31 2nuu h ILE 115 CO 0.05 0.03 0.77 0.58 0.00 0.00 0.00 178.15 179.58 2nuu h VAL 116 N 0.17 0.10 0.00 1.67 2.07 -1.65 -0.58 116.25 118.02 2nuu h VAL 116 Ca 0.18 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2nuu h VAL 116 Cb 0.23 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2nuu h VAL 116 CO -0.26 0.02 -0.00 1.23 0.02 0.00 0.00 177.57 178.57 2nuu h GLY 117 N 0.08 0.00 1.78 2.17 0.00 -1.73 -1.85 103.07 103.52 2nuu h GLY 117 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2nuu h GLY 117 CO -0.51 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 175.91 2nuu n ALA 118 N -2.41 2.58 0.64 3.60 0.00 -0.23 -2.75 120.51 121.95 2nuu n ALA 118 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2nuu n ALA 118 Cb 0.08 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 2nuu n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nuu n LEU 119 N -1.59 0.90 -4.44 0.00 4.77 -0.71 -4.32 117.00 111.62 2nuu n LEU 119 Ca 0.06 -0.58 -0.45 0.00 -0.03 0.00 0.00 56.01 55.02 2nuu n LEU 119 Cb 0.35 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2nuu n LEU 119 CO 0.29 0.20 0.08 0.00 -1.33 0.00 0.00 177.39 176.63 2nuu n ALA 120 N -0.97 -1.92 -0.13 -1.18 0.00 -1.12 -3.24 120.51 111.96 2nuu n ALA 120 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2nuu n ALA 120 Cb 0.24 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2nuu n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nuu n GLU 121 N 0.87 0.00 0.00 0.00 1.02 -1.26 -4.69 120.64 116.58 2nuu n GLU 121 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2nuu n GLU 121 Cb 0.33 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2nuu n GLU 121 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nuu n ARG 122 N -2.00 1.77 -3.07 3.49 3.00 -1.23 -4.81 116.66 113.80 2nuu n ARG 122 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 2nuu n ARG 122 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 32.46 32.24 2nuu n ARG 122 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2nuu s ILE 123 N -0.18 4.51 0.35 0.55 2.07 -1.20 -1.95 121.20 125.35 2nuu s ILE 123 Ca 0.00 1.43 -0.27 0.00 -1.41 0.00 0.00 60.65 60.40 2nuu s ILE 123 Cb 0.00 -3.96 -0.09 0.00 0.13 0.00 0.00 42.46 38.54 2nuu s ILE 123 CO 0.00 0.35 1.08 -0.60 -1.91 0.00 0.00 174.94 173.86 2nuu s ARG 124 N -1.60 4.37 0.06 3.50 3.52 -0.43 -4.78 118.95 123.59 2nuu s ARG 124 Ca 0.39 1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 57.42 2nuu s ARG 124 Cb -0.19 -2.84 -0.16 0.00 -1.56 0.00 0.00 34.95 30.19 2nuu s ARG 124 CO 0.23 0.00 1.60 0.35 -0.81 0.00 0.00 175.30 176.67 2nuu h PHE 125 N 3.10 0.02 -0.68 5.12 3.04 -1.94 -2.88 116.94 122.72 2nuu h PHE 125 Ca -0.48 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 61.56 2nuu h PHE 125 Cb 1.22 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 2nuu h PHE 125 CO 0.58 0.16 0.45 0.66 -2.02 0.00 0.00 178.31 178.14 2nuu h SER 126 N -0.12 0.52 -0.33 0.41 4.64 -1.95 -2.31 113.55 114.41 2nuu h SER 126 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2nuu h SER 126 Cb 0.15 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2nuu h SER 126 CO -0.00 0.32 0.20 0.00 -0.87 0.00 0.00 176.83 176.47 2nuu h ALA 127 N 1.65 0.41 -0.59 5.18 0.00 -1.80 -2.74 119.26 121.36 2nuu h ALA 127 Ca 0.31 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2nuu h ALA 127 Cb 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2nuu h ALA 127 CO -0.10 -0.09 0.31 -0.24 0.00 0.00 0.00 179.25 179.13 2nuu h VAL 128 N 0.42 0.94 -0.90 0.00 3.04 -1.30 -1.63 116.25 116.82 2nuu h VAL 128 Ca 0.12 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 2nuu h VAL 128 Cb 0.01 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 29.56 2nuu h VAL 128 CO -0.02 0.10 0.53 -0.07 -1.01 0.00 0.00 177.57 177.10 2nuu h LEU 129 N 0.57 1.08 0.13 3.16 3.38 -1.45 -1.63 115.31 120.56 2nuu h LEU 129 Ca 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2nuu h LEU 129 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2nuu h LEU 129 CO -0.19 0.84 -0.06 0.40 0.09 0.00 0.00 178.44 179.52 2nuu h ILE 130 N 1.24 1.02 -0.94 1.22 2.04 -1.15 -2.77 117.51 118.18 2nuu h ILE 130 Ca 0.32 -0.64 0.15 0.00 1.00 0.00 0.00 64.86 65.69 2nuu h ILE 130 Cb -0.04 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 2nuu h ILE 130 CO -0.06 0.15 0.55 0.15 0.00 0.00 0.00 178.15 178.94 2nuu h PHE 131 N -0.47 0.98 -0.04 1.37 3.57 -1.11 -2.34 116.94 118.90 2nuu h PHE 131 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2nuu h PHE 131 Cb 0.38 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 2nuu h PHE 131 CO 0.02 0.30 0.02 0.28 -2.23 0.00 0.00 178.31 176.70 2nuu h VAL 132 N 0.80 1.09 -0.45 1.41 2.07 -1.23 0.20 116.25 120.14 2nuu h VAL 132 Ca 0.50 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.85 2nuu h VAL 132 Cb 0.64 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 2nuu h VAL 132 CO -0.33 0.07 0.05 0.58 0.02 0.00 0.00 177.57 177.97 2nuu h VAL 133 N -0.03 0.72 0.16 2.57 2.07 -1.14 0.91 116.25 121.50 2nuu h VAL 133 Ca 0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2nuu h VAL 133 Cb 0.09 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2nuu h VAL 133 CO -0.00 0.03 -0.08 0.58 0.02 0.00 0.00 177.57 178.12 2nuu h VAL 134 N 0.18 0.96 -0.18 2.57 2.07 -1.37 -3.02 116.25 117.45 2nuu h VAL 134 Ca 0.22 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2nuu h VAL 134 Cb 0.30 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2nuu h VAL 134 CO -0.32 0.19 0.10 -0.25 0.02 0.00 0.00 177.57 177.31 2nuu h TRP 135 N -0.67 0.26 -0.28 1.57 7.01 -0.44 0.11 115.95 123.52 2nuu h TRP 135 Ca -0.02 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.01 2nuu h TRP 135 Cb 0.49 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 2nuu h TRP 135 CO 0.06 0.26 0.04 1.25 -2.79 0.00 0.00 178.44 177.25 2nuu h LEU 136 N 0.19 -0.02 -0.38 0.65 5.85 -0.95 0.18 115.31 120.83 2nuu h LEU 136 Ca 0.06 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2nuu h LEU 136 Cb 0.09 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2nuu h LEU 136 CO -0.01 0.02 0.05 0.74 -0.34 0.00 0.00 178.44 178.90 2nuu h THR 137 N 0.13 1.24 0.00 1.05 2.02 -1.39 -1.95 112.91 114.02 2nuu h THR 137 Ca 0.13 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2nuu h THR 137 Cb 0.15 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2nuu h THR 137 CO -0.18 0.30 -1.35 0.18 0.37 0.00 0.00 175.52 174.83 2nuu n LEU 138 N -4.53 0.49 -0.03 2.58 4.77 0.01 -4.42 117.00 115.87 2nuu n LEU 138 Ca -0.01 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2nuu n LEU 138 Cb 0.24 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2nuu n LEU 138 CO 0.39 0.00 -0.54 -0.24 -1.33 0.00 0.00 177.39 175.68 2nuu n SER 139 N -2.15 1.08 0.33 -1.43 2.88 0.61 -4.60 113.62 110.34 2nuu n SER 139 Ca -0.00 0.17 -0.17 0.00 -1.33 0.00 0.00 58.87 57.54 2nuu n SER 139 Cb 0.49 -0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 2nuu n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2nuu h TYR 140 N -0.37 -0.75 -0.24 0.66 3.20 -1.12 -2.01 116.97 116.34 2nuu h TYR 140 Ca -0.13 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.74 2nuu h TYR 140 Cb 0.78 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2nuu h TYR 140 CO -0.10 -0.44 0.13 0.82 -1.64 0.00 0.00 178.16 176.94 2nuu h ILE 141 N -0.89 1.02 -0.60 1.81 2.04 -1.57 0.24 117.51 119.56 2nuu h ILE 141 Ca -0.08 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2nuu h ILE 141 Cb 0.65 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2nuu h ILE 141 CO 0.14 0.05 0.10 -0.65 0.00 0.00 0.00 178.15 177.79 2nuu h PRO 142 N 0.28 0.96 -0.49 2.37 0.11 -1.77 -1.15 132.00 132.31 2nuu h PRO 142 Ca 0.10 -0.24 -0.13 0.00 0.11 0.00 0.00 66.00 65.84 2nuu h PRO 142 Cb 0.01 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2nuu h PRO 142 CO -0.05 0.89 -0.20 0.82 -0.21 0.00 0.00 178.00 179.24 2nuu h ILE 143 N 0.91 1.27 -0.37 4.15 2.04 -1.04 -0.08 117.51 124.39 2nuu h ILE 143 Ca 0.19 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 2nuu h ILE 143 Cb 0.39 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2nuu h ILE 143 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 178.15 178.54 2nuu h ALA 144 N 0.87 1.14 -0.19 1.87 0.00 -0.44 -1.84 119.26 120.69 2nuu h ALA 144 Ca 0.11 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2nuu h ALA 144 Cb 0.79 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2nuu h ALA 144 CO 0.07 0.54 -0.70 1.25 0.00 0.00 0.00 179.25 180.40 2nuu h HIS 145 N 0.58 1.04 -0.45 0.00 -0.00 -0.93 0.13 115.15 115.53 2nuu h HIS 145 Ca 0.11 -0.43 -0.06 0.00 -0.00 0.00 0.00 60.37 59.99 2nuu h HIS 145 Cb 0.51 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 2nuu h HIS 145 CO 0.02 1.26 0.04 0.52 -0.00 0.00 0.00 177.93 179.77 2nuu h MET 146 N 0.56 0.70 0.00 5.26 2.07 -0.80 -1.49 114.93 121.24 2nuu h MET 146 Ca -0.03 -0.16 -0.13 0.00 -2.07 0.00 0.00 59.70 57.31 2nuu h MET 146 Cb 1.32 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.93 2nuu h MET 146 CO 0.15 0.69 -1.03 0.28 1.07 0.00 0.00 176.91 178.07 2nuu n VAL 147 N -4.26 1.48 0.47 -2.22 0.31 -0.71 -1.53 118.33 111.88 2nuu n VAL 147 Ca 0.03 0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.51 2nuu n VAL 147 Cb 0.26 -2.21 0.13 0.00 -0.91 0.00 0.00 33.84 31.12 2nuu n VAL 147 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2nuu n TRP 148 N -4.50 0.24 -1.39 3.52 8.01 0.45 -4.19 117.44 119.58 2nuu n TRP 148 Ca -0.22 -0.15 0.02 0.00 -1.31 0.00 0.00 57.50 55.84 2nuu n TRP 148 Cb 0.51 -0.00 0.20 0.00 -2.01 0.00 0.00 31.31 30.01 2nuu n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2nuu n GLY 149 N 1.13 4.86 2.76 6.99 0.00 -0.61 -4.96 105.19 115.36 2nuu n GLY 149 Ca 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2nuu n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuu n GLY 150 N -1.09 0.68 0.00 -0.02 0.00 -1.22 -4.89 105.19 98.66 2nuu n GLY 150 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2nuu n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuu n GLY 151 N -2.16 -2.12 0.43 -0.02 0.00 -0.88 -4.39 105.19 96.06 2nuu n GLY 151 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 2nuu n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nuu h LEU 152 N 0.00 -1.98 -0.70 0.99 5.85 -1.48 -1.45 115.31 116.55 2nuu h LEU 152 Ca 0.00 0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 2nuu h LEU 152 Cb 0.00 0.87 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2nuu h LEU 152 CO 0.00 -0.29 0.19 -0.07 -0.34 0.00 0.00 178.44 177.93 2nuu h LEU 153 N -0.14 1.04 -0.75 2.25 3.38 -1.70 -2.51 115.31 116.88 2nuu h LEU 153 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2nuu h LEU 153 Cb 0.49 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2nuu h LEU 153 CO -0.82 0.99 0.20 0.00 0.09 0.00 0.00 178.44 178.89 2nuu h ALA 154 N 1.09 0.98 0.00 1.53 0.00 -0.94 -2.27 119.26 119.65 2nuu h ALA 154 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2nuu h ALA 154 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2nuu h ALA 154 CO -0.00 0.67 -0.06 0.66 0.00 0.00 0.00 179.25 180.52 2nuu h SER 155 N 1.09 0.00 0.21 0.00 4.64 -1.15 -2.46 113.55 115.87 2nuu h SER 155 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2nuu h SER 155 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2nuu h SER 155 CO -0.00 0.06 -0.20 1.41 -0.87 0.00 0.00 176.83 177.23 2nuu n HIS 156 N -3.17 0.00 -1.88 4.77 -0.00 -0.94 -4.97 115.22 109.04 2nuu n HIS 156 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2nuu n HIS 156 Cb 0.36 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2nuu n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2nuu n GLY 157 N 1.31 0.92 3.78 -1.41 0.00 -0.93 -4.99 105.19 103.87 2nuu n GLY 157 Ca 0.14 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2nuu n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nuu s ALA 158 N -2.63 2.97 -0.31 4.61 0.00 -0.90 -4.96 121.76 120.54 2nuu s ALA 158 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 2nuu s ALA 158 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2nuu s ALA 158 CO 0.00 -0.52 0.02 -0.51 0.00 0.00 0.00 175.76 174.75 2nuu s LEU 159 N -3.04 4.09 -0.34 0.00 1.43 -1.26 -4.90 118.68 114.66 2nuu s LEU 159 Ca 0.63 -1.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 2nuu s LEU 159 Cb -0.25 -1.72 0.16 0.00 0.03 0.00 0.00 46.19 44.40 2nuu s LEU 159 CO 0.31 -0.30 0.40 -0.62 0.23 0.00 0.00 176.35 176.37 2nuu s ASP 160 N 1.31 0.73 0.03 2.29 -1.08 -1.26 -4.89 116.67 113.80 2nuu s ASP 160 Ca -0.03 -1.01 -0.24 0.00 -0.52 0.00 0.00 52.55 50.76 2nuu s ASP 160 Cb -0.20 0.86 -0.17 0.00 -1.46 0.00 0.00 42.92 41.95 2nuu s ASP 160 CO -0.02 -0.30 1.43 0.15 0.52 0.00 0.00 175.17 176.96 2nuu h PHE 161 N 7.58 0.09 0.00 -5.34 3.57 -1.50 -3.40 116.94 117.94 2nuu h PHE 161 Ca -0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2nuu h PHE 161 Cb 1.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2nuu h PHE 161 CO 0.28 0.39 -0.01 0.00 -2.23 0.00 0.00 178.31 176.74 2nuu n ALA 162 N -2.28 1.65 0.00 2.41 0.00 -0.69 -4.88 120.51 116.72 2nuu n ALA 162 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2nuu n ALA 162 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2nuu n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nuu n GLY 163 N -0.35 0.95 0.08 0.00 0.00 -1.26 -4.85 105.19 99.76 2nuu n GLY 163 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2nuu n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nuu h GLY 164 N 0.00 -0.07 0.00 -0.02 0.00 -1.90 -2.28 103.07 98.79 2nuu h GLY 164 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2nuu h GLY 164 CO 0.00 -0.03 -0.03 -0.91 0.00 0.00 0.00 176.54 175.57 2nuu h THR 165 N -0.57 0.00 -0.99 4.70 1.35 -1.96 -2.09 112.91 113.35 2nuu h THR 165 Ca -0.01 -0.35 0.37 0.00 -0.55 0.00 0.00 66.41 65.87 2nuu h THR 165 Cb 0.50 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 66.75 2nuu h THR 165 CO 0.01 0.00 0.45 0.58 -0.25 0.00 0.00 175.52 176.31 2nuu h VAL 166 N -0.35 0.08 0.00 6.82 2.07 -1.90 -2.39 116.25 120.57 2nuu h VAL 166 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2nuu h VAL 166 Cb 0.03 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2nuu h VAL 166 CO 0.00 0.01 -0.70 0.52 0.02 0.00 0.00 177.57 177.42 2nuu n VAL 167 N -5.26 1.31 0.10 2.57 0.31 -1.06 -4.65 118.33 111.66 2nuu n VAL 167 Ca 0.34 0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.79 2nuu n VAL 167 Cb 1.12 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 2nuu n VAL 167 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2nuu h HIS 168 N -0.70 -0.31 -0.90 3.52 3.86 -1.42 -2.63 115.15 116.57 2nuu h HIS 168 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2nuu h HIS 168 Cb 0.70 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 2nuu h HIS 168 CO -0.30 0.01 0.49 0.82 0.86 0.00 0.00 177.93 179.80 2nuu h ILE 169 N -0.98 1.26 -0.11 2.45 2.04 -1.38 0.12 117.51 120.91 2nuu h ILE 169 Ca -0.03 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2nuu h ILE 169 Cb 0.46 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 2nuu h ILE 169 CO 0.06 0.29 -0.21 -1.13 0.00 0.00 0.00 178.15 177.16 2nuu h ASN 170 N 1.26 -0.65 -0.20 1.72 -0.73 -1.55 -1.39 115.58 114.04 2nuu h ASN 170 Ca 0.32 0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.52 2nuu h ASN 170 Cb 0.03 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.91 2nuu h ASN 170 CO -0.05 -0.26 -0.15 0.00 -0.37 0.00 0.00 177.43 176.59 2nuu h ALA 171 N 0.70 0.29 -0.57 1.57 0.00 -1.16 -2.77 119.26 117.31 2nuu h ALA 171 Ca 0.09 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2nuu h ALA 171 Cb 0.42 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2nuu h ALA 171 CO -0.27 0.18 0.28 0.00 0.00 0.00 0.00 179.25 179.44 2nuu h ALA 172 N 0.67 0.74 -0.27 0.00 0.00 -0.57 -0.61 119.26 119.22 2nuu h ALA 172 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2nuu h ALA 172 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2nuu h ALA 172 CO 0.04 -0.07 0.01 0.82 0.00 0.00 0.00 179.25 180.05 2nuu h ILE 173 N 0.54 1.25 -0.88 0.00 1.08 -1.32 -0.88 117.51 117.31 2nuu h ILE 173 Ca 0.26 -0.89 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2nuu h ILE 173 Cb 0.19 1.31 -0.08 0.00 -3.07 0.00 0.00 36.82 35.17 2nuu h ILE 173 CO -0.19 0.28 0.51 0.00 -0.69 0.00 0.00 178.15 178.07 2nuu h ALA 174 N 0.83 1.28 -0.23 1.87 0.00 -1.16 -1.45 119.26 120.39 2nuu h ALA 174 Ca 0.08 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2nuu h ALA 174 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2nuu h ALA 174 CO 0.01 0.12 -0.44 0.78 0.00 0.00 0.00 179.25 179.72 2nuu h GLY 175 N 0.84 0.77 0.74 0.00 0.00 -0.94 -2.95 103.07 101.54 2nuu h GLY 175 Ca 0.43 -0.91 0.06 0.00 0.00 0.00 0.00 47.33 46.92 2nuu h GLY 175 CO -0.26 0.81 0.59 -2.00 0.00 0.00 0.00 176.54 175.68 2nuu h LEU 176 N 0.42 0.94 -0.56 3.11 6.46 -0.44 -0.90 115.31 124.34 2nuu h LEU 176 Ca 0.01 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2nuu h LEU 176 Cb 1.04 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 2nuu h LEU 176 CO 0.10 0.61 0.17 0.58 -0.62 0.00 0.00 178.44 179.27 2nuu h VAL 177 N 1.08 1.24 -0.52 1.05 2.07 -1.28 -2.32 116.25 117.57 2nuu h VAL 177 Ca 0.40 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2nuu h VAL 177 Cb 0.15 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2nuu h VAL 177 CO -0.17 0.30 0.22 1.23 0.02 0.00 0.00 177.57 179.18 2nuu h GLY 178 N 0.78 0.82 0.97 2.17 0.00 -1.18 -1.22 103.07 105.42 2nuu h GLY 178 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2nuu h GLY 178 CO -0.00 0.41 0.23 0.00 0.00 0.00 0.00 176.54 177.17 2nuu h ALA 179 N 1.07 0.52 0.11 3.60 0.00 -1.08 -0.70 119.26 122.77 2nuu h ALA 179 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2nuu h ALA 179 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2nuu h ALA 179 CO -0.02 0.03 -0.05 1.88 0.00 0.00 0.00 179.25 181.09 2nuu h TYR 180 N 0.53 -0.14 -0.37 0.00 -1.99 -1.29 -2.45 116.97 111.26 2nuu h TYR 180 Ca 0.14 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.77 2nuu h TYR 180 Cb 0.03 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 2nuu h TYR 180 CO -0.03 0.02 -0.17 -0.07 -0.00 0.00 0.00 178.16 177.91 2nuu h LEU 181 N -0.27 0.69 -0.21 3.88 3.38 -1.15 -3.10 115.31 118.53 2nuu h LEU 181 Ca -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2nuu h LEU 181 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2nuu h LEU 181 CO 0.02 0.87 -0.26 2.30 0.09 0.00 0.00 178.44 181.46 2nuu n ILE 182 N -4.14 0.00 -0.56 1.22 -5.35 -0.28 -5.06 119.36 105.19 2nuu n ILE 182 Ca 0.01 -0.05 0.07 0.00 -0.27 0.00 0.00 62.75 62.51 2nuu n ILE 182 Cb 0.39 0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 2nuu n ILE 182 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nuu n GLY 183 N 1.39 -1.97 3.76 3.28 0.00 -0.92 -4.92 105.19 105.80 2nuu n GLY 183 Ca 0.10 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 2nuu n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 184 N -2.14 3.26 0.70 1.61 1.02 -1.26 -4.85 119.74 118.09 2nuu s LYS 184 Ca 0.00 1.81 -0.14 0.00 0.02 0.00 0.00 55.97 57.66 2nuu s LYS 184 Cb 0.00 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2nuu s LYS 184 CO 0.00 -0.97 1.13 1.03 -0.92 0.00 0.00 175.35 175.62 2nuu s ARG 185 N -3.13 2.47 0.29 1.68 0.52 -1.26 -4.96 118.95 114.57 2nuu s ARG 185 Ca 0.73 1.46 -0.29 0.00 -0.52 0.00 0.00 55.73 57.10 2nuu s ARG 185 Cb -0.30 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.17 2nuu s ARG 185 CO 0.33 -1.52 1.42 0.08 0.02 0.00 0.00 175.30 175.64 2nuu s VAL 186 N -2.35 2.56 0.00 3.52 1.01 -1.26 -2.24 120.40 121.64 2nuu s VAL 186 Ca 0.68 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2nuu s VAL 186 Cb -0.22 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2nuu s VAL 186 CO 0.45 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2nuu n GLY 187 N 1.60 0.87 3.68 4.51 0.00 -1.26 -4.98 105.19 109.61 2nuu n GLY 187 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2nuu n GLY 187 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2nuu n PHE 188 N -2.11 2.37 -0.60 1.61 7.35 -0.95 -0.30 117.46 124.83 2nuu n PHE 188 Ca 0.00 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2nuu n PHE 188 Cb 0.00 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.20 2nuu n PHE 188 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nuu n GLY 189 N 3.99 1.38 0.00 7.13 0.00 -1.26 -4.78 105.19 111.65 2nuu n GLY 189 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2nuu n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nuu n LYS 190 N -2.00 0.61 -4.26 1.61 5.02 0.59 -5.07 118.16 114.67 2nuu n LYS 190 Ca 0.00 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2nuu n LYS 190 Cb 0.00 -1.00 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2nuu n LYS 190 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nuu s GLU 191 N -2.00 1.07 -0.19 1.97 2.02 0.02 -5.10 118.70 116.50 2nuu s GLU 191 Ca -0.00 -1.34 -0.29 0.00 0.02 0.00 0.00 54.97 53.36 2nuu s GLU 191 Cb 0.00 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.38 2nuu s GLU 191 CO 0.00 0.15 1.05 0.00 0.02 0.00 0.00 175.26 176.48 2nuu s ALA 192 N -2.56 3.60 -0.69 5.21 0.00 -1.26 -4.86 121.76 121.20 2nuu s ALA 192 Ca 0.13 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2nuu s ALA 192 Cb -0.02 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.75 2nuu s ALA 192 CO 0.03 -0.92 0.52 -0.06 0.00 0.00 0.00 175.76 175.33 2nuu s PHE 193 N 2.84 3.51 0.07 0.00 2.99 -1.26 -5.07 117.98 121.05 2nuu s PHE 193 Ca 0.46 -2.82 -0.06 0.00 0.00 0.00 0.00 56.93 54.51 2nuu s PHE 193 Cb -0.17 -3.18 -0.05 0.00 0.00 0.00 0.00 43.02 39.62 2nuu s PHE 193 CO 0.10 -0.80 0.32 0.15 -0.00 0.00 0.00 175.22 174.99 2nuu s LYS 194 N -0.42 3.61 0.10 0.44 1.02 -1.26 -5.06 119.74 118.17 2nuu s LYS 194 Ca 0.20 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 2nuu s LYS 194 Cb -0.17 -2.99 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 2nuu s LYS 194 CO -0.06 0.57 1.88 -2.14 -0.92 0.00 0.00 175.35 174.68 2nuu s PRO 195 N -2.13 4.14 0.40 -1.68 0.02 -1.23 -4.35 135.00 130.16 2nuu s PRO 195 Ca 0.33 2.61 0.13 0.00 0.02 0.00 0.00 61.00 64.09 2nuu s PRO 195 Cb -0.13 -3.77 0.82 0.00 0.02 0.00 0.00 34.50 31.43 2nuu s PRO 195 CO 0.20 -0.88 1.89 1.12 -0.33 0.00 0.00 177.00 179.00 2nuu h HIS 196 N 9.23 0.04 -2.43 6.54 2.07 -0.88 -3.40 115.15 126.32 2nuu h HIS 196 Ca -0.47 -0.01 -0.54 0.00 -2.85 0.00 0.00 60.37 56.51 2nuu h HIS 196 Cb 1.22 -0.01 -0.37 0.00 2.57 0.00 0.00 27.41 30.82 2nuu h HIS 196 CO 0.84 0.31 -0.82 1.21 -3.07 0.00 0.00 177.93 176.41 2nuu s ASN 197 N -6.95 2.50 0.17 3.10 3.84 -0.99 -4.98 114.94 111.63 2nuu s ASN 197 Ca -0.04 -2.10 -0.12 0.00 0.21 0.00 0.00 52.86 50.81 2nuu s ASN 197 Cb 0.15 -0.19 0.07 0.00 -0.55 0.00 0.00 41.25 40.73 2nuu s ASN 197 CO 0.72 -0.29 1.72 -0.07 -2.79 0.00 0.00 177.10 176.39 2nuu h LEU 198 N 6.95 0.80 -1.82 3.21 3.38 -1.78 -1.42 115.31 124.63 2nuu h LEU 198 Ca 0.07 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.04 2nuu h LEU 198 Cb 0.99 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2nuu h LEU 198 CO 0.25 0.76 0.50 -0.65 0.09 0.00 0.00 178.44 179.39 2nuu h PRO 199 N 0.79 0.16 -0.24 1.13 0.11 -1.96 0.23 132.00 132.22 2nuu h PRO 199 Ca 0.19 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.19 2nuu h PRO 199 Cb 0.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 2nuu h PRO 199 CO -0.01 0.11 -0.23 1.98 -0.21 0.00 0.00 178.00 179.64 2nuu h MET 200 N 0.17 0.58 -0.19 1.05 1.85 -1.63 -1.13 114.93 115.62 2nuu h MET 200 Ca 0.35 -0.30 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2nuu h MET 200 Cb 1.14 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 2nuu h MET 200 CO -0.06 0.89 0.07 0.28 -0.40 0.00 0.00 176.91 177.70 2nuu h VAL 201 N 0.28 0.97 -0.27 -5.77 2.07 -0.47 -0.75 116.25 112.31 2nuu h VAL 201 Ca 0.04 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2nuu h VAL 201 Cb 0.78 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2nuu h VAL 201 CO 0.06 0.03 0.01 0.15 0.02 0.00 0.00 177.57 177.83 2nuu h PHE 202 N 0.17 -0.00 -0.71 1.57 3.57 -0.53 0.96 116.94 121.97 2nuu h PHE 202 Ca 0.08 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.70 2nuu h PHE 202 Cb 0.04 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 2nuu h PHE 202 CO -0.11 -0.04 0.33 1.15 -2.23 0.00 0.00 178.31 177.41 2nuu h THR 203 N 0.09 0.80 -0.50 4.41 2.02 -0.61 0.19 112.91 119.31 2nuu h THR 203 Ca 0.13 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2nuu h THR 203 Cb 0.17 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2nuu h THR 203 CO -0.22 0.10 0.05 1.23 0.37 0.00 0.00 175.52 177.06 2nuu h GLY 204 N 0.55 0.92 0.90 2.16 0.00 -0.27 -0.43 103.07 106.88 2nuu h GLY 204 Ca 0.36 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2nuu h GLY 204 CO -0.30 0.59 0.07 -0.84 0.00 0.00 0.00 176.54 176.06 2nuu h THR 205 N 0.72 0.98 -0.41 4.70 2.02 0.10 0.12 112.91 121.13 2nuu h THR 205 Ca 0.15 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.30 2nuu h THR 205 Cb 0.44 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2nuu h THR 205 CO 0.02 0.03 0.23 0.00 0.37 0.00 0.00 175.52 176.16 2nuu h ALA 206 N 1.10 0.52 -0.51 6.16 0.00 -0.48 -1.48 119.26 124.57 2nuu h ALA 206 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2nuu h ALA 206 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2nuu h ALA 206 CO -0.06 -0.11 0.13 0.82 0.00 0.00 0.00 179.25 180.03 2nuu h ILE 207 N 0.46 1.24 -0.73 0.00 2.04 -0.74 -1.56 117.51 118.22 2nuu h ILE 207 Ca 0.17 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2nuu h ILE 207 Cb 0.04 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2nuu h ILE 207 CO -0.10 0.30 0.48 -0.07 0.00 0.00 0.00 178.15 178.76 2nuu h LEU 208 N 0.70 0.77 0.47 1.44 3.38 -0.47 -0.00 115.31 121.60 2nuu h LEU 208 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2nuu h LEU 208 Cb 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2nuu h LEU 208 CO -0.00 0.54 -0.22 0.22 0.09 0.00 0.00 178.44 179.07 2nuu h TYR 209 N 0.90 -0.58 -0.96 1.13 3.20 -0.93 -0.28 116.97 119.46 2nuu h TYR 209 Ca 0.28 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.23 2nuu h TYR 209 Cb 0.02 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 2nuu h TYR 209 CO -0.00 -0.26 0.61 0.82 -1.64 0.00 0.00 178.16 177.70 2nuu h ILE 210 N -0.99 1.01 -0.04 1.81 1.08 -1.14 -1.57 117.51 117.68 2nuu h ILE 210 Ca -0.06 -0.35 -0.11 0.00 -0.39 0.00 0.00 64.86 63.95 2nuu h ILE 210 Cb 0.58 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2nuu h ILE 210 CO 0.10 0.19 -0.47 1.23 -0.69 0.00 0.00 178.15 178.51 2nuu h GLY 211 N 1.03 0.10 2.00 5.37 0.00 -0.97 -3.21 103.07 107.39 2nuu h GLY 211 Ca 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2nuu h GLY 211 CO -0.19 0.10 -0.03 -0.25 0.00 0.00 0.00 176.54 176.16 2nuu h TRP 212 N 0.08 0.00 -0.39 5.60 2.91 0.02 -2.23 115.95 121.94 2nuu h TRP 212 Ca 0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2nuu h TRP 212 Cb 0.86 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 2nuu h TRP 212 CO 0.01 0.03 0.22 0.74 -1.03 0.00 0.00 178.44 178.41 2nuu h PHE 213 N 0.00 0.51 0.00 2.65 0.04 -1.57 0.32 116.94 118.89 2nuu h PHE 213 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2nuu h PHE 213 Cb 0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2nuu h PHE 213 CO 0.00 0.35 -0.54 0.78 -0.60 0.00 0.00 178.31 178.30 2nuu h GLY 214 N 0.60 0.00 0.39 -1.45 0.00 -1.61 -1.51 103.07 99.49 2nuu h GLY 214 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2nuu h GLY 214 CO -0.02 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.68 2nuu h PHE 215 N 0.00 -0.22 0.06 5.60 3.57 -0.88 -2.55 116.94 122.52 2nuu h PHE 215 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2nuu h PHE 215 Cb 1.25 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2nuu h PHE 215 CO 0.00 0.21 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.35 2nuu h ASN 216 N -0.85 -0.07 -0.52 0.41 2.35 -0.54 -3.23 115.58 113.14 2nuu h ASN 216 Ca -0.02 -0.55 -0.10 0.00 -0.55 0.00 0.00 56.30 55.08 2nuu h ASN 216 Cb 0.52 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2nuu h ASN 216 CO 0.04 0.64 -0.04 0.00 -1.65 0.00 0.00 177.43 176.42 2nuu h ALA 217 N -0.24 0.71 0.00 -0.83 0.00 -1.47 -2.47 119.26 114.95 2nuu h ALA 217 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2nuu h ALA 217 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2nuu h ALA 217 CO 0.01 0.57 0.00 0.78 0.00 0.00 0.00 179.25 180.61 2nuu h GLY 218 N 0.83 0.00 1.88 0.00 0.00 -1.52 -0.84 103.07 103.42 2nuu h GLY 218 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2nuu h GLY 218 CO 0.04 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.02 2nuu n SER 219 N -3.05 0.00 0.15 0.19 7.64 -0.93 -1.25 113.62 116.37 2nuu n SER 219 Ca -0.02 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.25 2nuu n SER 219 Cb 0.11 -0.44 0.20 0.00 -1.01 0.00 0.00 64.21 63.06 2nuu n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nuu h ALA 220 N 2.56 0.91 0.00 -0.43 0.00 -1.29 -3.47 119.26 117.53 2nuu h ALA 220 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2nuu h ALA 220 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nuu h ALA 220 CO 0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2nuu n GLY 221 N 0.40 0.81 3.50 0.00 0.00 -0.38 -4.97 105.19 104.55 2nuu n GLY 221 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2nuu n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nuu s THR 222 N -3.16 0.00 -1.36 2.61 -1.32 -1.26 -4.77 115.64 106.38 2nuu s THR 222 Ca 0.00 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 2nuu s THR 222 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2nuu s THR 222 CO 0.00 0.00 2.34 0.00 -2.21 0.00 0.00 174.62 174.75 2nuu n ALA 223 N -0.18 6.53 -2.25 11.08 0.00 -1.26 -4.55 120.51 129.88 2nuu n ALA 223 Ca -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2nuu n ALA 223 Cb 0.62 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.13 2nuu n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nuu n ASN 224 N 2.68 0.48 0.15 0.00 0.23 -1.26 -4.97 115.26 112.56 2nuu n ASN 224 Ca 0.59 -0.01 -0.00 0.00 -0.53 0.00 0.00 54.58 54.62 2nuu n ASN 224 Cb 0.28 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.19 2nuu n ASN 224 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2nuu h GLU 225 N 0.00 0.00 -0.45 -3.83 9.09 -1.99 -2.45 114.58 114.95 2nuu h GLU 225 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 2nuu h GLU 225 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2nuu h GLU 225 CO 0.00 0.57 -0.17 0.82 0.05 0.00 0.00 179.01 180.28 2nuu h ILE 226 N 0.00 1.27 -0.40 -1.06 2.04 -1.95 0.16 117.51 117.56 2nuu h ILE 226 Ca -0.01 -1.28 -0.11 0.00 1.00 0.00 0.00 64.86 64.47 2nuu h ILE 226 Cb 1.00 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2nuu h ILE 226 CO 0.07 0.44 -0.18 0.00 0.00 0.00 0.00 178.15 178.48 2nuu h ALA 227 N 1.05 0.92 -0.56 1.87 0.00 -1.77 -0.58 119.26 120.18 2nuu h ALA 227 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2nuu h ALA 227 Cb 0.69 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2nuu h ALA 227 CO 0.05 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.08 2nuu h ALA 228 N 1.11 1.21 -0.11 0.00 0.00 -0.99 0.77 119.26 121.24 2nuu h ALA 228 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2nuu h ALA 228 Cb 0.68 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nuu h ALA 228 CO 0.05 0.55 -0.09 1.25 0.00 0.00 0.00 179.25 181.01 2nuu h LEU 229 N 0.83 0.27 -0.87 0.00 5.85 -0.60 -2.45 115.31 118.33 2nuu h LEU 229 Ca 0.18 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 2nuu h LEU 229 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2nuu h LEU 229 CO -0.00 0.68 0.04 0.00 -0.34 0.00 0.00 178.44 178.81 2nuu h ALA 230 N 0.61 1.07 0.77 1.25 0.00 -0.91 -0.34 119.26 121.70 2nuu h ALA 230 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2nuu h ALA 230 Cb 0.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2nuu h ALA 230 CO 0.02 0.59 -0.37 0.35 0.00 0.00 0.00 179.25 179.85 2nuu h PHE 231 N 0.83 -0.95 -0.64 0.00 3.04 -0.87 -1.64 116.94 116.71 2nuu h PHE 231 Ca 0.16 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.19 2nuu h PHE 231 Cb 0.43 0.32 -0.07 0.00 2.56 0.00 0.00 35.95 39.18 2nuu h PHE 231 CO 0.03 -0.58 0.26 0.28 -2.02 0.00 0.00 178.31 176.28 2nuu h VAL 232 N -1.12 0.79 0.00 1.41 2.07 -1.35 -0.45 116.25 117.60 2nuu h VAL 232 Ca -0.11 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2nuu h VAL 232 Cb 0.80 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2nuu h VAL 232 CO 0.17 0.08 -0.07 0.78 0.02 0.00 0.00 177.57 178.56 2nuu h ASN 233 N 0.46 0.00 -0.12 0.57 2.35 -0.96 -2.14 115.58 115.74 2nuu h ASN 233 Ca 0.32 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.91 2nuu h ASN 233 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.76 2nuu h ASN 233 CO -0.30 0.07 -0.57 0.74 -1.65 0.00 0.00 177.43 175.72 2nuu h THR 234 N 0.00 1.34 0.16 2.81 2.02 -0.08 -1.93 112.91 117.23 2nuu h THR 234 Ca -0.00 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.32 2nuu h THR 234 Cb 0.26 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2nuu h THR 234 CO 0.01 0.57 -0.10 0.58 0.37 0.00 0.00 175.52 176.94 2nuu h VAL 235 N 0.23 0.78 0.41 3.16 2.07 -1.02 -2.90 116.25 118.98 2nuu h VAL 235 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2nuu h VAL 235 Cb 1.21 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2nuu h VAL 235 CO 0.12 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 178.00 2nuu h VAL 236 N -0.26 0.41 -0.75 2.57 2.07 -1.44 -2.60 116.25 116.26 2nuu h VAL 236 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2nuu h VAL 236 Cb 0.22 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2nuu h VAL 236 CO 0.01 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.91 2nuu h ALA 237 N -0.16 1.14 -0.30 1.67 0.00 -1.41 -1.02 119.26 119.18 2nuu h ALA 237 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2nuu h ALA 237 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nuu h ALA 237 CO 0.02 0.62 0.16 1.15 0.00 0.00 0.00 179.25 181.21 2nuu h THR 238 N 1.08 1.14 -0.43 0.00 2.02 -1.52 0.58 112.91 115.77 2nuu h THR 238 Ca 0.25 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2nuu h THR 238 Cb 0.18 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2nuu h THR 238 CO -0.02 0.14 0.13 0.00 0.37 0.00 0.00 175.52 176.13 2nuu h ALA 239 N 1.03 0.57 -0.57 6.16 0.00 -1.29 -0.54 119.26 124.62 2nuu h ALA 239 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nuu h ALA 239 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2nuu h ALA 239 CO -0.02 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.83 2nuu h ALA 240 N 0.98 0.73 -0.55 0.00 0.00 -0.97 -1.05 119.26 118.40 2nuu h ALA 240 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2nuu h ALA 240 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2nuu h ALA 240 CO -0.00 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 2nuu h ALA 241 N 1.20 0.74 -0.28 0.00 0.00 -0.70 0.59 119.26 120.82 2nuu h ALA 241 Ca 0.21 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2nuu h ALA 241 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2nuu h ALA 241 CO -0.04 0.61 0.14 0.82 0.00 0.00 0.00 179.25 180.78 2nuu h ILE 242 N 0.88 1.00 -0.48 0.00 2.04 -0.81 0.11 117.51 120.25 2nuu h ILE 242 Ca 0.15 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 2nuu h ILE 242 Cb 0.61 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2nuu h ILE 242 CO 0.04 0.06 -0.14 -0.07 0.00 0.00 0.00 178.15 178.03 2nuu h LEU 243 N 0.30 0.92 0.85 1.44 3.38 -0.95 -1.18 115.31 120.07 2nuu h LEU 243 Ca 0.11 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2nuu h LEU 243 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2nuu h LEU 243 CO -0.07 1.06 -0.49 1.23 0.09 0.00 0.00 178.44 180.26 2nuu h GLY 244 N 0.95 -1.37 0.41 0.83 0.00 0.71 -2.46 103.07 102.15 2nuu h GLY 244 Ca 0.12 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 2nuu h GLY 244 CO 0.05 -0.47 -0.50 -0.25 0.00 0.00 0.00 176.54 175.37 2nuu h TRP 245 N -1.24 -1.41 -0.77 5.60 2.91 -0.78 -1.19 115.95 119.05 2nuu h TRP 245 Ca -0.11 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.05 2nuu h TRP 245 Cb 0.99 0.56 -0.14 0.00 -0.51 0.00 0.00 29.16 30.06 2nuu h TRP 245 CO -0.08 -0.65 -0.35 0.82 -1.03 0.00 0.00 178.44 177.15 2nuu h ILE 246 N -0.94 0.10 0.00 2.65 1.08 -1.25 0.38 117.51 119.52 2nuu h ILE 246 Ca -0.05 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 2nuu h ILE 246 Cb 0.84 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2nuu h ILE 246 CO -0.11 0.00 -0.36 -0.26 -0.69 0.00 0.00 178.15 176.73 2nuu h PHE 247 N -0.09 0.00 -0.23 1.37 0.04 -1.37 0.43 116.94 117.09 2nuu h PHE 247 Ca 0.29 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.96 2nuu h PHE 247 Cb 0.57 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 2nuu h PHE 247 CO -0.74 0.36 -0.24 0.78 -0.60 0.00 0.00 178.31 177.87 2nuu h GLY 248 N 1.88 0.62 0.76 -1.45 0.00 0.58 -2.50 103.07 102.95 2nuu h GLY 248 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 2nuu h GLY 248 CO 0.05 0.58 -0.10 -2.09 0.00 0.00 0.00 176.54 174.97 2nuu h GLU 249 N 0.27 0.35 -0.81 4.80 4.81 -0.21 -1.31 114.58 122.48 2nuu h GLU 249 Ca 0.04 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2nuu h GLU 249 Cb 0.79 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.10 2nuu h GLU 249 CO 0.06 0.69 0.47 2.35 -0.73 0.00 0.00 179.01 181.85 2nuu h TRP 250 N 0.00 0.86 0.11 0.92 2.91 -0.95 0.35 115.95 120.16 2nuu h TRP 250 Ca 0.03 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.86 2nuu h TRP 250 Cb 0.60 -0.27 0.02 0.00 -0.51 0.00 0.00 29.16 29.01 2nuu h TRP 250 CO 0.07 0.39 -0.92 0.00 -1.03 0.00 0.00 178.44 176.95 2nuu h ALA 251 N 1.43 -0.04 0.00 2.65 0.00 -1.44 -2.87 119.26 118.99 2nuu h ALA 251 Ca 0.38 -0.70 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 2nuu h ALA 251 Cb 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2nuu h ALA 251 CO -0.22 0.46 -1.46 1.28 0.00 0.00 0.00 179.25 179.31 2nuu n LEU 252 N -4.04 0.86 -0.08 0.00 4.77 -0.50 -4.49 117.00 113.53 2nuu n LEU 252 Ca -0.13 0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 2nuu n LEU 252 Cb 0.85 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.90 2nuu n LEU 252 CO 0.51 0.18 -1.01 0.54 -1.33 0.00 0.00 177.39 176.29 2nuu n ARG 253 N -2.91 1.30 0.00 3.23 5.12 0.12 -5.05 116.66 118.47 2nuu n ARG 253 Ca -0.11 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2nuu n ARG 253 Cb 0.87 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 2nuu n ARG 253 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nuu n GLY 254 N 1.97 1.94 3.25 -0.13 0.00 -0.97 -5.02 105.19 106.23 2nuu n GLY 254 Ca -0.25 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2nuu n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nuu s LYS 255 N 0.00 0.87 -0.59 1.61 -2.85 -1.24 -4.85 119.74 112.69 2nuu s LYS 255 Ca 0.00 -0.68 -0.25 0.00 -1.00 0.00 0.00 55.97 54.04 2nuu s LYS 255 Cb 0.00 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2nuu s LYS 255 CO 0.00 -0.29 1.03 -1.25 0.10 0.00 0.00 175.35 174.93 2nuu s PRO 256 N -3.19 3.33 0.59 1.78 0.04 -1.26 -3.61 135.00 132.67 2nuu s PRO 256 Ca -0.00 -0.23 -0.08 0.00 0.04 0.00 0.00 61.00 60.72 2nuu s PRO 256 Cb 0.01 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2nuu s PRO 256 CO -0.07 -1.63 0.94 -1.54 0.04 0.00 0.00 177.00 174.74 2nuu s SER 257 N 3.06 5.95 0.11 6.66 1.04 -1.26 -5.00 113.70 124.25 2nuu s SER 257 Ca 0.32 1.06 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 2nuu s SER 257 Cb -0.12 -2.13 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 2nuu s SER 257 CO 0.19 -0.92 1.34 0.25 0.98 0.00 0.00 173.24 175.08 2nuu h LEU 258 N -0.19 0.94 -1.04 2.42 5.85 -2.01 -2.84 115.31 118.45 2nuu h LEU 258 Ca -0.45 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 57.62 2nuu h LEU 258 Cb 1.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2nuu h LEU 258 CO 0.62 1.37 0.05 0.25 -0.34 0.00 0.00 178.44 180.39 2nuu h LEU 259 N 0.56 0.70 0.10 2.25 5.85 -1.97 -2.63 115.31 120.17 2nuu h LEU 259 Ca -0.03 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2nuu h LEU 259 Cb 1.30 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2nuu h LEU 259 CO 0.14 0.73 -0.31 1.23 -0.34 0.00 0.00 178.44 179.89 2nuu h GLY 260 N 0.94 -0.57 0.34 3.75 0.00 -1.92 0.45 103.07 106.06 2nuu h GLY 260 Ca 0.15 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.92 2nuu h GLY 260 CO 0.01 -0.24 0.01 0.00 0.00 0.00 0.00 176.54 176.31 2nuu h ALA 261 N 0.16 0.39 -0.26 3.60 0.00 -1.29 0.16 119.26 122.02 2nuu h ALA 261 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2nuu h ALA 261 Cb 0.56 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2nuu h ALA 261 CO -0.20 -0.39 0.13 0.00 0.00 0.00 0.00 179.25 178.80 2nuu h SER 263 N 0.28 0.09 -0.47 0.00 0.02 -0.39 -2.34 113.55 110.74 2nuu h SER 263 Ca 0.10 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 2nuu h SER 263 Cb 0.02 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2nuu h SER 263 CO -0.07 0.29 -0.19 1.23 -1.14 0.00 0.00 176.83 176.96 2nuu h GLY 264 N 0.70 1.03 0.66 -3.77 0.00 0.05 -2.26 103.07 99.49 2nuu h GLY 264 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2nuu h GLY 264 CO 0.03 0.82 -0.31 0.00 0.00 0.00 0.00 176.54 177.08 2nuu h ALA 265 N 0.86 -0.66 -0.07 3.60 0.00 -0.69 -1.18 119.26 121.13 2nuu h ALA 265 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2nuu h ALA 265 Cb 0.76 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2nuu h ALA 265 CO 0.06 -0.91 -0.16 0.82 0.00 0.00 0.00 179.25 179.06 2nuu h ILE 266 N -0.66 0.59 -0.72 0.00 1.08 -1.52 0.47 117.51 116.75 2nuu h ILE 266 Ca -0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 2nuu h ILE 266 Cb 0.60 0.59 -0.13 0.00 -3.07 0.00 0.00 36.82 34.81 2nuu h ILE 266 CO -0.06 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.34 2nuu h ALA 267 N 0.75 0.65 -0.46 1.87 0.00 -1.22 0.57 119.26 121.42 2nuu h ALA 267 Ca 0.07 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2nuu h ALA 267 Cb 0.34 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2nuu h ALA 267 CO -0.21 -0.42 -0.16 0.78 0.00 0.00 0.00 179.25 179.25 2nuu h GLY 268 N 0.06 0.95 0.88 0.00 0.00 -0.63 -1.22 103.07 103.12 2nuu h GLY 268 Ca 0.38 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2nuu h GLY 268 CO -0.67 0.71 0.06 1.41 0.00 0.00 0.00 176.54 178.05 2nuu h LEU 269 N 0.78 0.40 -0.18 3.11 3.38 0.15 -2.34 115.31 120.60 2nuu h LEU 269 Ca 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2nuu h LEU 269 Cb 0.69 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2nuu h LEU 269 CO 0.05 0.53 0.05 0.58 0.09 0.00 0.00 178.44 179.74 2nuu h VAL 270 N 0.24 1.20 -0.47 1.22 2.07 0.03 -2.26 116.25 118.29 2nuu h VAL 270 Ca 0.08 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2nuu h VAL 270 Cb 0.29 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2nuu h VAL 270 CO 0.00 0.20 0.31 1.23 0.02 0.00 0.00 177.57 179.33 2nuu h GLY 271 N 0.11 0.64 1.15 2.17 0.00 -1.20 -2.52 103.07 103.42 2nuu h GLY 271 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2nuu h GLY 271 CO 0.00 0.22 -0.64 -0.24 0.00 0.00 0.00 176.54 175.88 2nuu h VAL 272 N 0.60 0.00 -0.60 4.60 3.04 -1.34 -3.39 116.25 119.16 2nuu h VAL 272 Ca 0.18 -0.50 0.12 0.00 -1.01 0.00 0.00 66.70 65.48 2nuu h VAL 272 Cb -0.00 1.08 -0.12 0.00 -2.01 0.00 0.00 31.29 30.24 2nuu h VAL 272 CO -0.04 0.00 -0.22 0.74 -1.01 0.00 0.00 177.57 177.03 2nuu h THR 273 N 0.00 0.29 0.00 3.17 2.02 -0.94 0.65 112.91 118.10 2nuu h THR 273 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2nuu h THR 273 Cb 0.75 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2nuu h THR 273 CO 0.00 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.44 2nuu h PRO 274 N -0.07 0.00 0.00 6.66 0.13 -1.77 -1.83 132.00 135.12 2nuu h PRO 274 Ca 0.28 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.10 2nuu h PRO 274 Cb 0.50 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 2nuu h PRO 274 CO -0.66 0.00 -1.94 0.00 -0.23 0.00 0.00 178.00 175.17 2nuu n ALA 275 N -2.10 1.54 -0.28 -0.56 0.00 -0.49 -1.70 120.51 116.92 2nuu n ALA 275 Ca 0.04 -0.96 0.17 0.00 0.00 0.00 0.00 53.44 52.69 2nuu n ALA 275 Cb 0.50 -0.61 0.33 0.00 0.00 0.00 0.00 19.45 19.67 2nuu n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nuu n GLY 277 N -1.34 -1.21 0.00 0.00 0.00 -1.26 -3.57 105.19 97.81 2nuu n GLY 277 Ca 0.24 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.01 2nuu n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2nuu n TYR 278 N -1.37 0.00 -3.89 1.61 4.01 0.43 -4.89 117.16 113.05 2nuu n TYR 278 Ca 0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 2nuu n TYR 278 Cb 0.33 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 2nuu n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2nuu s ILE 279 N -2.71 3.80 0.64 -0.72 -4.36 -0.77 -0.36 121.20 116.73 2nuu s ILE 279 Ca -0.03 -1.37 -0.08 0.00 -0.26 0.00 0.00 60.65 58.90 2nuu s ILE 279 Cb 0.08 -3.25 0.01 0.00 1.25 0.00 0.00 42.46 40.55 2nuu s ILE 279 CO 0.49 -0.22 0.99 -0.83 0.24 0.00 0.00 174.94 175.60 2nuu s GLY 280 N -3.95 1.62 0.48 6.27 0.00 -1.01 -4.80 107.32 105.93 2nuu s GLY 280 Ca 0.39 -0.57 0.21 0.00 0.00 0.00 0.00 44.72 44.74 2nuu s GLY 280 CO 0.26 -0.25 1.96 -0.24 0.00 0.00 0.00 173.10 174.83 2nuu h VAL 281 N -0.40 0.76 -0.34 1.40 3.04 -1.94 -0.51 116.25 118.26 2nuu h VAL 281 Ca -0.45 -0.07 -0.15 0.00 -1.01 0.00 0.00 66.70 65.02 2nuu h VAL 281 Cb 1.26 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2nuu h VAL 281 CO 0.62 0.04 -0.37 1.23 -1.01 0.00 0.00 177.57 178.08 2nuu h GLY 282 N 0.21 0.94 1.00 3.17 0.00 -1.93 -2.69 103.07 103.77 2nuu h GLY 282 Ca 0.31 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2nuu h GLY 282 CO -0.06 0.88 0.38 -1.33 0.00 0.00 0.00 176.54 176.41 2nuu h GLY 283 N 0.65 0.94 1.78 4.60 0.00 -1.38 -1.76 103.07 107.90 2nuu h GLY 283 Ca 0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2nuu h GLY 283 CO 0.09 0.38 0.12 0.00 0.00 0.00 0.00 176.54 177.14 2nuu h ALA 284 N 1.19 1.80 0.08 3.60 0.00 -1.27 0.98 119.26 125.64 2nuu h ALA 284 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2nuu h ALA 284 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nuu h ALA 284 CO -0.04 0.18 -0.04 1.25 0.00 0.00 0.00 179.25 180.60 2nuu h LEU 285 N 0.31 -0.09 -0.51 0.00 6.46 -1.01 -1.20 115.31 119.28 2nuu h LEU 285 Ca 0.08 -0.37 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2nuu h LEU 285 Cb 0.01 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2nuu h LEU 285 CO -0.01 0.34 0.30 0.40 -0.62 0.00 0.00 178.44 178.85 2nuu h ILE 286 N -0.54 1.16 0.30 4.05 2.04 -0.92 -1.74 117.51 121.86 2nuu h ILE 286 Ca -0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2nuu h ILE 286 Cb 0.46 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2nuu h ILE 286 CO 0.02 0.17 -0.18 0.40 0.00 0.00 0.00 178.15 178.55 2nuu h ILE 287 N 0.68 0.61 -0.33 -0.67 2.04 -0.84 -1.60 117.51 117.41 2nuu h ILE 287 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 2nuu h ILE 287 Cb 0.01 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2nuu h ILE 287 CO -0.03 0.00 -0.24 1.23 0.00 0.00 0.00 178.15 179.11 2nuu h GLY 288 N -0.47 -0.08 0.62 5.37 0.00 -1.05 0.25 103.07 107.71 2nuu h GLY 288 Ca -0.03 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2nuu h GLY 288 CO 0.03 -0.20 -0.46 -2.08 0.00 0.00 0.00 176.54 173.83 2nuu h VAL 289 N -0.20 0.00 -0.50 4.60 2.07 -1.20 -0.50 116.25 120.52 2nuu h VAL 289 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 2nuu h VAL 289 Cb 0.46 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2nuu h VAL 289 CO -0.45 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.54 2nuu h VAL 290 N -1.04 0.40 -0.73 2.57 2.07 -1.06 -1.62 116.25 116.84 2nuu h VAL 290 Ca -0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2nuu h VAL 290 Cb 0.86 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2nuu h VAL 290 CO 0.03 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.04 2nuu h ALA 291 N 1.34 0.99 0.09 1.67 0.00 -0.36 0.16 119.26 123.15 2nuu h ALA 291 Ca 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2nuu h ALA 291 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2nuu h ALA 291 CO -0.55 0.09 -0.04 0.78 0.00 0.00 0.00 179.25 179.53 2nuu h GLY 292 N 0.75 -0.13 1.13 0.00 0.00 -0.18 -0.43 103.07 104.21 2nuu h GLY 292 Ca 0.33 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 2nuu h GLY 292 CO -0.19 -0.05 0.33 1.41 0.00 0.00 0.00 176.54 178.04 2nuu h LEU 293 N -0.16 1.02 -0.26 3.11 3.38 -1.06 -1.96 115.31 119.37 2nuu h LEU 293 Ca -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2nuu h LEU 293 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2nuu h LEU 293 CO 0.02 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.58 2nuu h ALA 294 N 1.27 0.34 -1.01 1.53 0.00 -0.48 -2.47 119.26 118.44 2nuu h ALA 294 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2nuu h ALA 294 Cb 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2nuu h ALA 294 CO -0.03 -0.14 0.65 0.78 0.00 0.00 0.00 179.25 180.52 2nuu h GLY 295 N 0.32 1.53 1.01 0.00 0.00 -0.68 0.22 103.07 105.48 2nuu h GLY 295 Ca 0.09 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2nuu h GLY 295 CO -0.02 0.34 0.66 -2.00 0.00 0.00 0.00 176.54 175.53 2nuu h LEU 296 N 1.18 1.15 -0.23 3.11 5.85 -0.99 -1.15 115.31 124.24 2nuu h LEU 296 Ca 0.43 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.06 2nuu h LEU 296 Cb 0.16 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2nuu h LEU 296 CO -0.17 0.83 -0.11 -0.25 -0.34 0.00 0.00 178.44 178.39 2nuu h TRP 297 N 1.36 0.55 -0.55 1.25 7.01 -0.76 -2.42 115.95 122.39 2nuu h TRP 297 Ca 0.37 -0.14 0.10 0.00 2.11 0.00 0.00 58.89 61.33 2nuu h TRP 297 Cb -0.15 -0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 26.70 2nuu h TRP 297 CO -0.00 0.75 0.08 0.78 -2.79 0.00 0.00 178.44 177.26 2nuu h GLY 298 N 0.18 0.65 1.65 2.65 0.00 0.09 -1.68 103.07 106.62 2nuu h GLY 298 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2nuu h GLY 298 CO 0.03 -0.11 -0.23 3.33 0.00 0.00 0.00 176.54 179.56 2nuu n VAL 299 N -5.16 0.37 0.00 4.60 0.24 -0.50 -2.18 118.33 115.70 2nuu n VAL 299 Ca 0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2nuu n VAL 299 Cb 0.29 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2nuu n VAL 299 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2nuu n THR 300 N -2.02 0.00 0.39 3.34 -1.04 -0.78 -4.63 114.28 109.54 2nuu n THR 300 Ca 0.05 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.88 2nuu n THR 300 Cb 0.41 -0.52 -0.09 0.00 -1.82 0.00 0.00 70.33 68.31 2nuu n THR 300 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2nuu h MET 301 N 0.00 -0.93 -0.28 -2.82 2.07 -1.66 -2.96 114.93 108.35 2nuu h MET 301 Ca 0.00 0.06 0.05 0.00 -2.07 0.00 0.00 59.70 57.74 2nuu h MET 301 Cb 0.00 0.21 -0.08 0.00 -1.87 0.00 0.00 31.60 29.87 2nuu h MET 301 CO 0.00 -0.62 -0.51 1.25 1.07 0.00 0.00 176.91 178.10 2nuu h LEU 302 N -0.98 -1.66 -0.72 1.22 7.12 -1.50 -0.63 115.31 118.15 2nuu h LEU 302 Ca -0.10 0.22 0.12 0.00 0.13 0.00 0.00 57.88 58.25 2nuu h LEU 302 Cb 0.74 0.68 -0.09 0.00 -0.53 0.00 0.00 40.66 41.47 2nuu h LEU 302 CO 0.16 -0.43 0.30 0.50 -0.13 0.00 0.00 178.44 178.85 2nuu h LYS 303 N -0.46 0.46 -0.09 1.25 3.64 -1.52 0.20 116.57 120.06 2nuu h LYS 303 Ca 0.07 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2nuu h LYS 303 Cb 0.63 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2nuu h LYS 303 CO -0.51 0.31 -0.37 -0.09 -2.27 0.00 0.00 179.45 176.52 2nuu h ARG 304 N 0.48 0.17 0.19 1.90 2.43 -1.25 -2.41 114.38 115.89 2nuu h ARG 304 Ca 0.38 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 59.16 2nuu h ARG 304 Cb 0.53 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2nuu h ARG 304 CO -0.36 0.52 -1.51 -0.07 -1.51 0.00 0.00 179.97 177.04 2nuu h LEU 305 N 0.15 0.64 -1.94 3.80 4.07 0.14 -3.25 115.31 118.92 2nuu h LEU 305 Ca 0.02 -0.77 -0.01 0.00 0.08 0.00 0.00 57.88 57.20 2nuu h LEU 305 Cb 0.72 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 2nuu h LEU 305 CO 0.05 1.62 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.91 2nuu h LEU 306 N 0.11 0.00 -1.65 1.67 3.38 -0.59 -3.47 115.31 114.76 2nuu h LEU 306 Ca -0.25 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.37 2nuu h LEU 306 Cb 2.09 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.99 2nuu h LEU 306 CO 0.22 0.05 -0.78 0.54 0.09 0.00 0.00 178.44 178.56 2nuu n ARG 307 N -3.27 -6.29 -4.40 1.13 1.74 -0.91 -5.03 116.66 99.62 2nuu n ARG 307 Ca -0.01 0.80 -0.25 0.00 -0.77 0.00 0.00 57.85 57.62 2nuu n ARG 307 Cb 0.24 -5.72 -0.11 0.00 -1.02 0.00 0.00 32.46 25.84 2nuu n ARG 307 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2nuu s VAL 308 N -3.43 2.20 -0.62 1.55 -7.23 -1.24 -5.04 120.40 106.59 2nuu s VAL 308 Ca 0.02 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2nuu s VAL 308 Cb -0.01 -2.06 0.16 0.00 0.56 0.00 0.00 36.38 35.03 2nuu s VAL 308 CO 0.75 -0.22 0.49 -0.62 -0.31 0.00 0.00 175.10 175.19 2nuu s ASP 309 N -2.79 5.84 -0.71 4.85 2.15 -1.26 -4.92 116.67 119.83 2nuu s ASP 309 Ca 0.20 -2.44 0.01 0.00 0.43 0.00 0.00 52.55 50.76 2nuu s ASP 309 Cb -0.07 -2.02 0.18 0.00 -0.30 0.00 0.00 42.92 40.71 2nuu s ASP 309 CO 0.09 -0.56 0.52 -0.62 -0.17 0.00 0.00 175.17 174.44 2nuu s ASP 310 N 1.89 5.16 0.38 -0.34 2.15 -1.26 -4.76 116.67 119.88 2nuu s ASP 310 Ca 0.13 -3.45 0.09 0.00 0.43 0.00 0.00 52.55 49.74 2nuu s ASP 310 Cb -0.20 -1.76 0.83 0.00 -0.30 0.00 0.00 42.92 41.49 2nuu s ASP 310 CO -0.04 -0.20 1.93 -0.65 -0.17 0.00 0.00 175.17 176.04 2nuu h PRO 311 N 6.12 0.64 -0.48 4.34 0.11 -1.77 0.14 132.00 141.10 2nuu h PRO 311 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2nuu h PRO 311 Cb 0.84 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2nuu h PRO 311 CO 0.75 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 2nuu n ASP 313 N 0.35 0.41 -0.23 0.00 8.00 0.48 -4.86 116.55 120.69 2nuu n ASP 313 Ca 0.25 -1.23 -0.06 0.00 0.71 0.00 0.00 54.79 54.46 2nuu n ASP 313 Cb 1.01 -1.86 0.05 0.00 -0.02 0.00 0.00 41.12 40.30 2nuu n ASP 313 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2nuu h VAL 314 N -1.85 1.17 -0.05 2.53 2.07 -1.90 -2.49 116.25 115.73 2nuu h VAL 314 Ca -0.66 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 66.36 2nuu h VAL 314 Cb 1.40 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2nuu h VAL 314 CO 0.68 0.17 -0.63 0.15 0.02 0.00 0.00 177.57 177.97 2nuu h PHE 315 N 0.88 0.73 -0.40 1.57 3.57 -1.89 0.14 116.94 121.54 2nuu h PHE 315 Ca 0.24 -0.36 0.12 0.00 3.53 0.00 0.00 57.97 61.49 2nuu h PHE 315 Cb -0.08 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2nuu h PHE 315 CO -0.03 1.17 0.30 0.78 -2.23 0.00 0.00 178.31 178.30 2nuu h GLY 316 N 0.08 0.00 0.00 2.40 0.00 -1.78 -0.44 103.07 103.33 2nuu h GLY 316 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2nuu h GLY 316 CO 0.13 0.00 -1.32 -0.62 0.00 0.00 0.00 176.54 174.73 2nuu n VAL 317 N -4.30 1.36 0.13 4.60 0.31 -0.95 -4.32 118.33 115.16 2nuu n VAL 317 Ca 0.07 0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.41 2nuu n VAL 317 Cb 0.49 -2.05 0.08 0.00 -0.91 0.00 0.00 33.84 31.45 2nuu n VAL 317 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2nuu h HIS 318 N -0.79 0.00 0.00 3.52 3.86 -0.79 -2.83 115.15 118.12 2nuu h HIS 318 Ca -0.21 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 2nuu h HIS 318 Cb 1.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 2nuu h HIS 318 CO -0.24 0.60 -0.28 0.78 0.86 0.00 0.00 177.93 179.65 2nuu h GLY 319 N 2.89 0.00 0.89 2.45 0.00 -1.14 -2.82 103.07 105.34 2nuu h GLY 319 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2nuu h GLY 319 CO 0.08 0.00 0.19 -2.08 0.00 0.00 0.00 176.54 174.73 2nuu h VAL 320 N -1.00 1.02 0.00 4.60 2.07 -1.43 -0.79 116.25 120.71 2nuu h VAL 320 Ca -0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2nuu h VAL 320 Cb 0.44 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2nuu h VAL 320 CO -0.02 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.55 2nuu h GLY 322 N 3.40 -0.03 0.98 0.00 0.00 -1.19 0.19 103.07 106.42 2nuu h GLY 322 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2nuu h GLY 322 CO 0.01 -0.01 -0.05 -2.22 0.00 0.00 0.00 176.54 174.27 2nuu h ILE 323 N -0.63 0.91 -0.49 2.60 2.04 -1.19 -1.15 117.51 119.59 2nuu h ILE 323 Ca -0.00 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2nuu h ILE 323 Cb 0.60 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 2nuu h ILE 323 CO 0.00 0.01 0.08 0.58 0.00 0.00 0.00 178.15 178.83 2nuu h VAL 324 N -0.17 0.71 -0.50 1.67 2.07 -1.33 -2.26 116.25 116.44 2nuu h VAL 324 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2nuu h VAL 324 Cb 0.13 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2nuu h VAL 324 CO 0.02 0.04 0.32 1.23 0.02 0.00 0.00 177.57 179.20 2nuu h GLY 325 N 0.22 0.71 1.16 2.17 0.00 -0.63 -1.31 103.07 105.37 2nuu h GLY 325 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2nuu h GLY 325 CO -0.33 0.27 0.27 0.00 0.00 0.00 0.00 176.54 176.74 2nuu h ILE 327 N 1.04 1.31 0.00 0.00 2.04 -1.24 -2.86 117.51 117.80 2nuu h ILE 327 Ca 0.24 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2nuu h ILE 327 Cb 0.22 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2nuu h ILE 327 CO -0.02 0.26 0.00 0.24 0.00 0.00 0.00 178.15 178.64 2nuu h MET 328 N -0.28 0.00 0.05 2.37 2.86 -0.99 -2.11 114.93 116.83 2nuu h MET 328 Ca 0.01 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 2nuu h MET 328 Cb 0.43 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.11 2nuu h MET 328 CO 0.01 0.00 -0.81 1.15 1.06 0.00 0.00 176.91 178.32 2nuu h THR 329 N 0.00 1.40 0.00 2.22 2.02 -1.03 -1.58 112.91 115.95 2nuu h THR 329 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 2nuu h THR 329 Cb 0.11 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2nuu h THR 329 CO 0.00 0.66 0.00 0.61 0.37 0.00 0.00 175.52 177.16 2nuu n GLY 330 N 1.25 -0.47 0.63 2.16 0.00 -0.80 -2.71 105.19 105.26 2nuu n GLY 330 Ca -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2nuu n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nuu n ILE 331 N -1.15 1.09 0.77 -0.61 5.41 -1.18 -4.35 119.36 119.34 2nuu n ILE 331 Ca 0.06 0.28 0.07 0.00 1.00 0.00 0.00 62.75 64.16 2nuu n ILE 331 Cb 0.06 -1.78 0.39 0.00 -0.71 0.00 0.00 39.64 37.60 2nuu n ILE 331 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2nuu n PHE 332 N -3.64 0.00 0.16 1.39 3.72 -0.60 -2.08 117.46 116.41 2nuu n PHE 332 Ca -0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.39 2nuu n PHE 332 Cb 0.18 -0.17 0.16 0.00 -0.94 0.00 0.00 39.48 38.70 2nuu n PHE 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nuu h ALA 333 N 2.77 0.79 -1.87 4.37 0.00 -1.72 -3.23 119.26 120.36 2nuu h ALA 333 Ca 0.00 -0.43 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 2nuu h ALA 333 Cb 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 333 CO 0.00 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.15 2nuu n ALA 334 N -2.26 -0.42 -0.18 0.00 0.00 -0.88 0.49 120.51 117.26 2nuu n ALA 334 Ca 0.01 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 2nuu n ALA 334 Cb 0.65 -2.07 0.08 0.00 0.00 0.00 0.00 19.45 18.11 2nuu n ALA 334 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2nuu h SER 335 N 3.42 0.21 0.18 0.00 0.02 -1.89 -1.41 113.55 114.08 2nuu h SER 335 Ca -0.43 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2nuu h SER 335 Cb 1.33 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2nuu h SER 335 CO 0.70 0.14 0.00 -1.54 -1.14 0.00 0.00 176.83 174.99 2nuu n SER 336 N -4.99 0.00 -0.89 3.07 3.41 -1.26 -0.97 113.62 111.98 2nuu n SER 336 Ca 0.06 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 2nuu n SER 336 Cb 0.22 -0.48 0.24 0.00 -0.26 0.00 0.00 64.21 63.93 2nuu n SER 336 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nuu n LEU 337 N -1.48 3.71 0.00 1.04 4.77 -0.65 -4.94 117.00 119.45 2nuu n LEU 337 Ca 0.01 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 2nuu n LEU 337 Cb 0.06 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2nuu n LEU 337 CO 0.05 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2nuu n GLY 338 N -0.05 0.52 3.95 -0.72 0.00 -0.15 -4.61 105.19 104.14 2nuu n GLY 338 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2nuu n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nuu s GLY 339 N -2.00 1.77 0.37 -0.02 0.00 -0.62 -2.40 107.32 104.42 2nuu s GLY 339 Ca 0.00 -1.36 0.27 0.00 0.00 0.00 0.00 44.72 43.63 2nuu s GLY 339 CO 0.00 -0.67 1.81 -0.24 0.00 0.00 0.00 173.10 174.00 2nuu h VAL 340 N -1.26 0.00 0.00 1.40 3.04 -0.38 -3.38 116.25 115.67 2nuu h VAL 340 Ca -0.42 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2nuu h VAL 340 Cb 1.25 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2nuu h VAL 340 CO 0.39 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.56 2nuu n GLY 341 N 0.28 1.13 3.87 3.17 0.00 0.18 -4.87 105.19 108.95 2nuu n GLY 341 Ca 0.02 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2nuu n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nuu s PHE 342 N -2.25 3.20 0.83 1.61 0.08 -1.26 -4.86 117.98 115.33 2nuu s PHE 342 Ca 0.00 1.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.97 2nuu s PHE 342 Cb 0.00 -3.11 0.10 0.00 -0.57 0.00 0.00 43.02 39.44 2nuu s PHE 342 CO 0.00 -1.34 1.19 0.00 -0.10 0.00 0.00 175.22 174.96 2nuu s ALA 343 N -3.34 1.76 -0.21 5.36 0.00 -1.26 -4.83 121.76 119.24 2nuu s ALA 343 Ca 0.59 0.76 -0.41 0.00 0.00 0.00 0.00 51.96 52.91 2nuu s ALA 343 Cb -0.12 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 2nuu s ALA 343 CO 0.52 -2.40 1.56 -1.91 0.00 0.00 0.00 175.76 173.53 2nuu n GLU 344 N -3.54 0.82 -1.90 0.00 2.13 -1.26 -2.01 120.64 114.87 2nuu n GLU 344 Ca 0.13 0.30 -0.08 0.00 0.66 0.00 0.00 57.16 58.17 2nuu n GLU 344 Cb 0.51 -1.92 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 2nuu n GLU 344 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nuu n GLY 345 N 3.51 0.30 3.27 8.31 0.00 -1.26 -5.05 105.19 114.27 2nuu n GLY 345 Ca 0.25 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2nuu n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuu s VAL 346 N -2.37 2.18 0.36 1.61 1.01 -0.85 -5.14 120.40 117.21 2nuu s VAL 346 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2nuu s VAL 346 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2nuu s VAL 346 CO 0.00 0.56 0.20 0.42 0.00 0.00 0.00 175.10 176.28 2nuu s THR 347 N 0.07 2.93 0.41 3.92 -4.23 -1.26 -4.78 115.64 112.70 2nuu s THR 347 Ca -0.10 -1.60 0.17 0.00 -1.18 0.00 0.00 61.69 58.98 2nuu s THR 347 Cb -0.16 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 71.05 2nuu s THR 347 CO 0.06 -0.13 1.83 -0.03 -0.54 0.00 0.00 174.62 175.81 2nuu h MET 348 N 1.42 0.42 0.85 3.99 4.05 -1.98 -2.78 114.93 120.88 2nuu h MET 348 Ca -0.43 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 58.92 2nuu h MET 348 Cb 1.25 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.97 2nuu h MET 348 CO 0.63 0.28 -0.41 0.78 0.23 0.00 0.00 176.91 178.42 2nuu h GLY 349 N 0.43 -1.19 0.39 1.39 0.00 -1.96 -1.88 103.07 100.25 2nuu h GLY 349 Ca 0.51 0.44 0.12 0.00 0.00 0.00 0.00 47.33 48.40 2nuu h GLY 349 CO -0.21 -0.43 0.48 0.84 0.00 0.00 0.00 176.54 177.21 2nuu h HIS 350 N -1.25 0.85 -0.07 5.60 6.17 -1.93 -1.93 115.15 122.59 2nuu h HIS 350 Ca -0.12 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 60.99 2nuu h HIS 350 Cb 0.88 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 30.55 2nuu h HIS 350 CO -0.00 0.29 0.01 0.37 0.71 0.00 0.00 177.93 179.30 2nuu h GLN 351 N 0.74 0.12 -0.66 5.26 5.75 -1.52 -1.64 115.11 123.17 2nuu h GLN 351 Ca 0.44 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.97 2nuu h GLN 351 Cb 0.51 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 2nuu h GLN 351 CO -0.30 0.36 0.36 1.25 -2.65 0.00 0.00 178.83 177.84 2nuu h LEU 352 N -0.13 0.52 -1.10 -2.39 6.46 -1.01 0.26 115.31 117.92 2nuu h LEU 352 Ca 0.02 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2nuu h LEU 352 Cb 0.29 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2nuu h LEU 352 CO 0.00 0.33 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.91 2nuu h LEU 353 N 0.65 0.41 -0.33 2.25 3.38 -1.30 -1.76 115.31 118.62 2nuu h LEU 353 Ca 0.30 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2nuu h LEU 353 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2nuu h LEU 353 CO -0.19 0.61 -0.30 0.58 0.09 0.00 0.00 178.44 179.23 2nuu h VAL 354 N 0.39 1.29 -0.49 1.22 2.07 -0.19 -2.02 116.25 118.51 2nuu h VAL 354 Ca 0.07 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.13 2nuu h VAL 354 Cb 0.54 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2nuu h VAL 354 CO 0.04 0.48 0.32 1.56 0.02 0.00 0.00 177.57 179.98 2nuu h GLN 355 N 0.56 0.63 -0.85 1.57 1.08 -0.10 -1.88 115.11 116.11 2nuu h GLN 355 Ca 0.06 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2nuu h GLN 355 Cb 0.88 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2nuu h GLN 355 CO 0.08 0.42 0.42 -0.07 -0.95 0.00 0.00 178.83 178.73 2nuu h LEU 356 N 0.65 1.11 -0.37 1.46 3.38 -1.26 -2.09 115.31 118.20 2nuu h LEU 356 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2nuu h LEU 356 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2nuu h LEU 356 CO -0.05 0.92 0.19 -0.08 0.09 0.00 0.00 178.44 179.51 2nuu h GLU 357 N 1.21 0.52 -0.73 1.13 4.81 -1.00 -1.37 114.58 119.15 2nuu h GLU 357 Ca 0.30 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2nuu h GLU 357 Cb 0.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2nuu h GLU 357 CO -0.04 0.44 0.33 0.77 -0.73 0.00 0.00 179.01 179.78 2nuu h SER 358 N 0.46 0.96 -0.14 1.04 0.02 -1.13 -2.17 113.55 112.59 2nuu h SER 358 Ca 0.13 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2nuu h SER 358 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2nuu h SER 358 CO -0.02 0.83 0.02 0.40 -1.14 0.00 0.00 176.83 176.92 2nuu h ILE 359 N 1.04 1.23 0.07 3.27 2.04 -1.07 -2.00 117.51 122.10 2nuu h ILE 359 Ca 0.25 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2nuu h ILE 359 Cb 0.14 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2nuu h ILE 359 CO -0.03 0.22 -0.05 0.00 0.00 0.00 0.00 178.15 178.29 2nuu h ALA 360 N 0.80 -0.11 -0.21 1.87 0.00 -1.11 -2.13 119.26 118.36 2nuu h ALA 360 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2nuu h ALA 360 Cb 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2nuu h ALA 360 CO 0.00 -0.57 -0.08 0.82 0.00 0.00 0.00 179.25 179.43 2nuu h ILE 361 N -0.12 0.73 -0.39 0.00 1.08 -1.44 -1.61 117.51 115.76 2nuu h ILE 361 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2nuu h ILE 361 Cb 0.11 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 2nuu h ILE 361 CO -0.00 0.00 0.11 0.74 -0.69 0.00 0.00 178.15 178.31 2nuu h THR 362 N -0.04 0.85 -0.09 -0.27 2.02 -1.22 0.18 112.91 114.33 2nuu h THR 362 Ca 0.11 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2nuu h THR 362 Cb 0.20 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2nuu h THR 362 CO -0.24 0.05 0.06 0.40 0.37 0.00 0.00 175.52 176.15 2nuu h ILE 363 N 0.25 1.03 -0.09 3.11 2.04 -1.08 -0.87 117.51 121.90 2nuu h ILE 363 Ca 0.18 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2nuu h ILE 363 Cb 0.19 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2nuu h ILE 363 CO -0.21 0.02 0.02 0.58 0.00 0.00 0.00 178.15 178.56 2nuu h VAL 364 N 0.12 1.20 0.11 1.67 2.07 -1.10 -0.47 116.25 119.85 2nuu h VAL 364 Ca 0.03 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2nuu h VAL 364 Cb -0.01 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2nuu h VAL 364 CO -0.01 0.18 -0.11 -0.25 0.02 0.00 0.00 177.57 177.39 2nuu h TRP 365 N -0.07 -0.30 -0.48 1.57 2.91 -0.90 -0.19 115.95 118.49 2nuu h TRP 365 Ca 0.03 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.92 2nuu h TRP 365 Cb 0.26 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2nuu h TRP 365 CO 0.01 -0.18 -0.22 1.03 -1.03 0.00 0.00 178.44 178.05 2nuu h SER 366 N -0.25 1.01 -0.60 2.65 0.87 -1.20 -2.37 113.55 113.64 2nuu h SER 366 Ca 0.01 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2nuu h SER 366 Cb 0.25 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2nuu h SER 366 CO -0.03 1.18 0.25 1.23 -0.53 0.00 0.00 176.83 178.92 2nuu h GLY 367 N 0.88 0.96 0.79 5.77 0.00 -0.93 0.15 103.07 110.69 2nuu h GLY 367 Ca 0.11 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2nuu h GLY 367 CO 0.07 0.49 -0.15 -2.08 0.00 0.00 0.00 176.54 174.86 2nuu h VAL 368 N 0.83 1.33 -0.04 4.60 2.07 -1.03 -2.15 116.25 121.86 2nuu h VAL 368 Ca 0.20 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 2nuu h VAL 368 Cb 0.19 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2nuu h VAL 368 CO -0.02 0.39 -0.45 0.58 0.02 0.00 0.00 177.57 178.09 2nuu h VAL 369 N 0.08 1.33 -0.08 2.57 2.07 -1.36 -2.22 116.25 118.64 2nuu h VAL 369 Ca 0.03 -1.59 -0.20 0.00 0.82 0.00 0.00 66.70 65.76 2nuu h VAL 369 Cb 0.68 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2nuu h VAL 369 CO 0.04 0.46 -0.78 0.00 0.02 0.00 0.00 177.57 177.31 2nuu h ALA 370 N 1.46 0.49 -0.74 1.67 0.00 -0.71 0.45 119.26 121.89 2nuu h ALA 370 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2nuu h ALA 370 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2nuu h ALA 370 CO 0.06 0.75 0.29 0.35 0.00 0.00 0.00 179.25 180.71 2nuu h PHE 371 N 0.33 1.13 -0.17 0.00 3.57 -1.12 -0.68 116.94 119.99 2nuu h PHE 371 Ca -0.04 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 2nuu h PHE 371 Cb 1.38 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 2nuu h PHE 371 CO 0.06 0.87 -0.09 0.82 -2.23 0.00 0.00 178.31 177.73 2nuu h ILE 372 N 1.07 1.32 -0.20 1.41 2.04 -1.31 -2.33 117.51 119.50 2nuu h ILE 372 Ca 0.25 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 65.00 2nuu h ILE 372 Cb 0.22 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2nuu h ILE 372 CO -0.02 0.34 -0.12 1.23 0.00 0.00 0.00 178.15 179.59 2nuu h GLY 373 N 0.04 0.05 1.74 5.37 0.00 -0.60 -1.82 103.07 107.85 2nuu h GLY 373 Ca 0.04 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2nuu h GLY 373 CO 0.03 -0.13 -0.12 -0.97 0.00 0.00 0.00 176.54 175.34 2nuu h TYR 374 N -0.10 0.33 -0.23 5.60 0.05 -1.17 -2.53 116.97 118.93 2nuu h TYR 374 Ca 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2nuu h TYR 374 Cb 0.27 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2nuu h TYR 374 CO -0.27 0.44 0.06 -0.22 -1.05 0.00 0.00 178.16 177.11 2nuu h LYS 375 N 0.30 0.36 -0.43 4.88 1.63 -0.79 -0.01 116.57 122.51 2nuu h LYS 375 Ca 0.06 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2nuu h LYS 375 Cb 0.40 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 2nuu h LYS 375 CO 0.02 0.47 0.16 -0.07 -3.45 0.00 0.00 179.45 176.58 2nuu h LEU 376 N 0.19 0.62 -0.07 5.20 3.38 -1.18 0.17 115.31 123.61 2nuu h LEU 376 Ca 0.07 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2nuu h LEU 376 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2nuu h LEU 376 CO 0.00 0.63 -0.01 0.00 0.09 0.00 0.00 178.44 179.15 2nuu h ALA 377 N 1.00 0.05 0.00 1.53 0.00 -1.37 0.35 119.26 120.83 2nuu h ALA 377 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2nuu h ALA 377 Cb 0.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2nuu h ALA 377 CO -0.01 -0.48 -0.12 0.22 0.00 0.00 0.00 179.25 178.86 2nuu h ASP 378 N 0.01 0.00 0.18 0.00 -0.00 -0.76 -0.52 116.42 115.33 2nuu h ASP 378 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.03 56.82 2nuu h ASP 378 Cb 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 39.41 2nuu h ASP 378 CO -0.07 0.12 -1.08 -0.07 -0.00 0.00 0.00 179.24 178.14 2nuu h LEU 379 N 0.00 0.64 0.00 2.28 3.38 0.47 -2.99 115.31 119.10 2nuu h LEU 379 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2nuu h LEU 379 Cb 0.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2nuu h LEU 379 CO 0.02 1.52 -0.05 0.71 0.09 0.00 0.00 178.44 180.72 2nuu h THR 380 N -0.13 0.00 0.00 0.22 1.35 -0.17 -3.43 112.91 110.76 2nuu h THR 380 Ca -0.18 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2nuu h THR 380 Cb 1.84 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2nuu h THR 380 CO 0.20 0.00 -0.82 1.33 -0.25 0.00 0.00 175.52 175.98 2nuu n VAL 381 N -4.45 0.00 -0.34 6.82 0.24 -0.31 -5.09 118.33 115.19 2nuu n VAL 381 Ca -0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2nuu n VAL 381 Cb 0.03 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 2nuu n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nuu n GLY 382 N 1.39 -2.04 0.23 7.63 0.00 -0.56 -4.93 105.19 106.92 2nuu n GLY 382 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 2nuu n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nuu h LEU 383 N 0.00 0.59 -8.65 0.99 3.38 -1.76 -3.43 115.31 106.43 2nuu h LEU 383 Ca 0.00 -0.24 -0.65 0.00 0.09 0.00 0.00 57.88 57.09 2nuu h LEU 383 Cb 0.00 -0.16 -0.25 0.00 0.09 0.00 0.00 40.66 40.34 2nuu h LEU 383 CO 0.00 0.88 -0.71 -0.60 0.09 0.00 0.00 178.44 178.10 2nuu s ARG 384 N -4.37 3.50 0.55 1.13 3.52 -1.26 -1.31 118.95 120.70 2nuu s ARG 384 Ca -0.07 -0.60 -0.21 0.00 -0.13 0.00 0.00 55.73 54.72 2nuu s ARG 384 Cb 0.13 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2nuu s ARG 384 CO 0.82 0.11 1.24 0.08 -0.81 0.00 0.00 175.30 176.73 2nuu s VAL 385 N 0.67 2.60 0.78 7.11 1.01 -0.82 -4.90 120.40 126.85 2nuu s VAL 385 Ca -0.04 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2nuu s VAL 385 Cb -0.15 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2nuu s VAL 385 CO 0.02 -0.04 1.08 -2.65 0.00 0.00 0.00 175.10 173.51 2nuu n PRO 386 N -1.16 0.28 -0.16 2.72 -0.02 -1.26 -4.79 135.00 130.61 2nuu n PRO 386 Ca 0.11 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 2nuu n PRO 386 Cb 0.48 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2nuu n PRO 386 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2nuu h GLU 387 N -0.70 0.10 -0.76 -0.52 4.81 -2.00 -1.93 114.58 113.59 2nuu h GLU 387 Ca -0.47 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 58.88 2nuu h GLU 387 Cb 1.31 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.58 2nuu h GLU 387 CO 0.46 0.07 0.35 0.93 -0.73 0.00 0.00 179.01 180.08 2nuu h GLU 388 N 0.11 0.52 -0.35 1.92 4.39 -2.00 -0.54 114.58 118.62 2nuu h GLU 388 Ca 0.25 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 2nuu h GLU 388 Cb 0.38 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2nuu h GLU 388 CO -0.43 0.34 -0.10 1.96 -1.16 0.00 0.00 179.01 179.63 2nuu h GLN 389 N 0.53 0.60 -0.53 2.33 4.20 -1.72 -2.79 115.11 117.74 2nuu h GLN 389 Ca 0.40 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 2nuu h GLN 389 Cb 0.54 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2nuu h GLN 389 CO -0.35 0.70 -0.08 1.49 -0.67 0.00 0.00 178.83 179.92 2nuu h GLU 390 N 0.56 0.99 -0.09 1.46 4.81 -0.65 -1.62 114.58 120.03 2nuu h GLU 390 Ca 0.10 -0.35 -0.15 0.00 -0.13 0.00 0.00 59.36 58.83 2nuu h GLU 390 Cb 0.51 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2nuu h GLU 390 CO 0.03 1.03 -0.58 0.00 -0.73 0.00 0.00 179.01 178.76 2nuu h ARG 391 N 0.86 0.30 0.00 1.92 3.08 -1.24 -3.21 114.38 116.09 2nuu h ARG 391 Ca 0.14 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2nuu h ARG 391 Cb 0.64 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2nuu h ARG 391 CO 0.04 0.79 -0.81 1.49 -1.07 0.00 0.00 179.97 180.42 2nuu h GLU 392 N 0.23 0.00 0.00 0.04 4.81 -1.44 -3.50 114.58 114.72 2nuu h GLU 392 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nuu h GLU 392 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2nuu h GLU 392 CO 0.09 0.81 0.00 0.41 -0.73 0.00 0.00 179.01 179.59 2nuu n GLY 393 N 0.86 3.41 0.16 1.92 0.00 -0.62 -4.83 105.19 106.10 2nuu n GLY 393 Ca -0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 2nuu n GLY 393 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nuu h LEU 394 N 0.00 0.44 0.34 0.99 3.38 -1.68 -3.20 115.31 115.57 2nuu h LEU 394 Ca 0.00 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2nuu h LEU 394 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2nuu h LEU 394 CO 0.00 1.10 -0.44 0.44 0.09 0.00 0.00 178.44 179.63 2nuu h ASP 395 N 0.21 -1.25 -0.55 -0.43 5.19 -1.79 0.72 116.42 118.53 2nuu h ASP 395 Ca -0.05 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 2nuu h ASP 395 Cb 1.45 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 2nuu h ASP 395 CO 0.14 -0.57 0.01 -0.37 -3.12 0.00 0.00 179.24 175.34 2nuu h VAL 396 N -0.83 1.26 0.04 -1.35 -1.51 -1.68 -1.08 116.25 111.10 2nuu h VAL 396 Ca -0.03 -1.10 -0.19 0.00 -1.23 0.00 0.00 66.70 64.16 2nuu h VAL 396 Cb 0.76 0.88 0.02 0.00 -2.13 0.00 0.00 31.29 30.81 2nuu h VAL 396 CO -0.13 0.39 -0.76 0.78 -1.23 0.00 0.00 177.57 176.63 2nuu h ASN 397 N 0.85 0.59 0.48 4.19 2.35 -1.53 -2.63 115.58 119.89 2nuu h ASN 397 Ca 0.16 -0.80 -0.24 0.00 -0.55 0.00 0.00 56.30 54.86 2nuu h ASN 397 Cb 0.52 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2nuu h ASN 397 CO 0.03 1.33 -1.70 -1.20 -1.65 0.00 0.00 177.43 174.23 2nuu n SER 398 N -4.12 0.70 0.00 5.81 7.64 0.25 -4.57 113.62 119.34 2nuu n SER 398 Ca -0.11 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2nuu n SER 398 Cb 0.76 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 2nuu n SER 398 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2nuu n HIS 399 N -2.91 0.00 -3.30 1.43 8.25 -0.52 -5.02 115.22 113.15 2nuu n HIS 399 Ca -0.16 -0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 56.85 2nuu n HIS 399 Cb 0.96 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 32.05 2nuu n HIS 399 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nuu n GLY 400 N -0.23 -0.49 3.04 -1.41 0.00 -0.56 -4.93 105.19 100.61 2nuu n GLY 400 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2nuu n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuu s GLU 401 N -5.95 0.38 -0.14 1.61 2.02 -1.12 -4.96 118.70 110.54 2nuu s GLU 401 Ca 0.37 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 2nuu s GLU 401 Cb -0.20 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 2nuu s GLU 401 CO 0.46 -0.08 -0.06 1.21 0.02 0.00 0.00 175.26 176.81 2nuu s ASN 402 N -1.30 4.61 0.06 -0.19 3.04 -1.26 -3.35 114.94 116.55 2nuu s ASN 402 Ca -0.14 -0.15 -0.24 0.00 0.04 0.00 0.00 52.86 52.37 2nuu s ASN 402 Cb -0.08 -1.65 -0.17 0.00 -1.54 0.00 0.00 41.25 37.81 2nuu s ASN 402 CO 0.00 0.20 1.60 0.00 -3.04 0.00 0.00 177.10 175.86 2nuu h ALA 403 N 6.46 -0.03 -3.48 1.71 0.00 -1.97 -3.42 119.26 118.54 2nuu h ALA 403 Ca -0.33 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 2nuu h ALA 403 Cb 1.19 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.67 2nuu h ALA 403 CO 0.60 -0.45 -0.71 0.71 0.00 0.00 0.00 179.25 179.40 2nuu s TYR 404 N -5.64 3.24 0.40 0.00 2.02 -1.26 -5.10 117.35 111.01 2nuu s TYR 404 Ca -0.14 -1.83 0.08 0.00 -0.37 0.00 0.00 57.07 54.81 2nuu s TYR 404 Cb 0.05 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2nuu s TYR 404 CO 0.66 -0.79 0.24 -0.80 -1.57 0.00 0.00 175.55 173.29 2nuu s ASN 405 N 1.26 4.68 0.00 2.29 0.01 -1.26 -5.22 114.94 116.71 2nuu s ASN 405 Ca -0.05 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 2nuu s ASN 405 Cb -0.19 -0.55 0.00 0.00 0.41 0.00 0.00 41.25 40.91 2nuu s ASN 405 CO -0.02 -0.54 0.00 0.00 -1.51 0.00 0.00 177.10 175.03