#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 -0.02 -1.40 2.07 -2.12 -1.53 115.15 112.15 2nuu h HIS -1 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2nuu h HIS -1 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2nuu h HIS -1 CO 0.00 0.00 -0.07 -2.39 -3.07 0.00 0.00 177.93 172.40 2nuu n HIS 0 N -3.65 0.00 -2.13 6.12 1.44 -1.26 -4.93 115.22 110.81 2nuu n HIS 0 Ca 0.19 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.57 2nuu n HIS 0 Cb 1.17 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 31.26 2nuu n HIS 0 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2nuu s HIS 1 N -2.11 2.95 -0.06 -1.40 5.04 -0.58 -5.06 115.29 114.07 2nuu s HIS 1 Ca 0.32 1.53 -0.20 0.00 -1.54 0.00 0.00 55.06 55.17 2nuu s HIS 1 Cb 0.20 -3.04 0.04 0.00 0.04 0.00 0.00 32.58 29.82 2nuu s HIS 1 CO 0.37 -1.12 0.45 -3.38 -2.34 0.00 0.00 174.74 168.72 2nuu s HIS 2 N -2.32 -0.40 0.49 3.88 -3.43 -1.26 -5.04 115.29 107.20 2nuu s HIS 2 Ca 0.65 0.75 -0.18 0.00 -0.80 0.00 0.00 55.06 55.48 2nuu s HIS 2 Cb -0.17 0.20 -0.09 0.00 -1.43 0.00 0.00 32.58 31.10 2nuu s HIS 2 CO 0.34 -0.42 0.98 0.00 -2.00 0.00 0.00 174.74 173.64 2nuu s ALA 3 N -0.91 3.02 0.03 -1.38 0.00 -1.26 -5.06 121.76 116.19 2nuu s ALA 3 Ca -0.10 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2nuu s ALA 3 Cb -0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2nuu s ALA 3 CO 0.05 -0.16 0.18 0.14 0.00 0.00 0.00 175.76 175.97 2nuu s VAL 4 N -2.41 5.28 0.36 0.00 -7.23 -1.26 -4.74 120.40 110.40 2nuu s VAL 4 Ca 0.61 -0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 60.20 2nuu s VAL 4 Cb -0.11 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 2nuu s VAL 4 CO 0.24 0.23 1.02 0.00 -0.31 0.00 0.00 175.10 176.29 2nuu s ALA 5 N -1.39 3.16 -0.46 1.32 0.00 -1.26 -4.85 121.76 118.28 2nuu s ALA 5 Ca 0.30 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 2nuu s ALA 5 Cb -0.13 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2nuu s ALA 5 CO 0.22 -0.08 0.62 0.34 0.00 0.00 0.00 175.76 176.86 2nuu s ASP 6 N -1.53 6.28 0.41 0.00 2.15 0.13 -4.92 116.67 119.18 2nuu s ASP 6 Ca 0.54 -0.53 0.23 0.00 0.43 0.00 0.00 52.55 53.22 2nuu s ASP 6 Cb -0.22 -2.30 1.25 0.00 -0.30 0.00 0.00 42.92 41.35 2nuu s ASP 6 CO 0.27 -0.79 1.69 0.11 -0.17 0.00 0.00 175.17 176.28 2nuu h LYS 7 N 8.90 0.23 -0.72 4.34 1.57 -1.94 0.39 116.57 129.34 2nuu h LYS 7 Ca -0.26 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 2nuu h LYS 7 Cb 1.10 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2nuu h LYS 7 CO 0.90 0.15 0.20 0.00 -0.57 0.00 0.00 179.45 180.13 2nuu h ALA 8 N 1.65 0.94 -0.23 3.86 0.00 -1.94 -1.76 119.26 121.78 2nuu h ALA 8 Ca 0.72 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 2nuu h ALA 8 Cb 2.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2nuu h ALA 8 CO -0.40 0.65 -0.57 -0.44 0.00 0.00 0.00 179.25 178.48 2nuu h ASP 9 N 1.07 0.79 0.26 0.00 3.32 -0.58 -1.95 116.42 119.34 2nuu h ASP 9 Ca 0.23 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2nuu h ASP 9 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2nuu h ASP 9 CO -0.00 1.19 -0.25 0.78 -1.72 0.00 0.00 179.24 179.24 2nuu h ASN 10 N 0.54 -0.66 -0.28 6.45 2.35 -1.04 0.64 115.58 123.56 2nuu h ASN 10 Ca 0.01 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2nuu h ASN 10 Cb 1.15 0.23 -0.07 0.00 0.05 0.00 0.00 38.32 39.67 2nuu h ASN 10 CO 0.12 -0.36 -0.17 0.00 -1.65 0.00 0.00 177.43 175.36 2nuu h ALA 11 N 0.12 0.03 -0.65 -0.83 0.00 -1.28 0.11 119.26 116.76 2nuu h ALA 11 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2nuu h ALA 11 Cb 0.49 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2nuu h ALA 11 CO -0.05 -0.57 0.30 0.35 0.00 0.00 0.00 179.25 179.28 2nuu h PHE 12 N -0.14 0.94 -0.17 0.00 3.57 -1.19 -1.14 116.94 118.81 2nuu h PHE 12 Ca 0.15 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2nuu h PHE 12 Cb 0.37 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2nuu h PHE 12 CO -0.36 0.71 -0.45 0.52 -2.23 0.00 0.00 178.31 176.50 2nuu h MET 13 N 0.90 0.41 -0.17 1.11 2.86 -0.46 0.02 114.93 119.60 2nuu h MET 13 Ca 0.22 -0.22 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2nuu h MET 13 Cb 0.13 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2nuu h MET 13 CO -0.03 0.79 -0.59 0.52 1.06 0.00 0.00 176.91 178.66 2nuu h MET 14 N 0.33 0.54 -0.24 1.72 2.86 -0.59 -1.68 114.93 117.87 2nuu h MET 14 Ca 0.02 -0.36 -0.19 0.00 -2.06 0.00 0.00 59.70 57.11 2nuu h MET 14 Cb 0.93 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2nuu h MET 14 CO 0.08 0.98 -0.59 0.82 1.06 0.00 0.00 176.91 179.25 2nuu h ILE 15 N 0.41 1.28 -0.07 -1.22 1.08 -1.04 -2.18 117.51 115.77 2nuu h ILE 15 Ca -0.00 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.66 2nuu h ILE 15 Cb 1.14 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2nuu h ILE 15 CO 0.11 0.58 -0.05 0.00 -0.69 0.00 0.00 178.15 178.10 2nuu h THR 17 N 0.10 1.34 -0.48 0.00 2.02 -1.10 -1.32 112.91 113.48 2nuu h THR 17 Ca 0.02 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 65.94 2nuu h THR 17 Cb 0.16 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 2nuu h THR 17 CO 0.01 0.39 0.18 0.00 0.37 0.00 0.00 175.52 176.46 2nuu h ALA 18 N 0.61 0.58 -0.80 6.16 0.00 -0.71 -0.90 119.26 124.20 2nuu h ALA 18 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2nuu h ALA 18 Cb 0.70 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2nuu h ALA 18 CO 0.04 -0.21 0.41 -0.07 0.00 0.00 0.00 179.25 179.41 2nuu h LEU 19 N 0.35 1.03 -0.77 0.00 3.38 -1.15 -0.63 115.31 117.52 2nuu h LEU 19 Ca 0.22 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2nuu h LEU 19 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2nuu h LEU 19 CO -0.22 0.86 0.11 0.58 0.09 0.00 0.00 178.44 179.85 2nuu h VAL 20 N 1.13 1.26 -0.24 1.22 2.07 -0.52 -1.30 116.25 119.86 2nuu h VAL 20 Ca 0.28 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2nuu h VAL 20 Cb 0.08 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2nuu h VAL 20 CO -0.04 0.37 -0.10 -0.07 0.02 0.00 0.00 177.57 177.75 2nuu h LEU 21 N 0.97 0.37 -1.18 2.57 3.38 -0.80 -2.22 115.31 118.41 2nuu h LEU 21 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2nuu h LEU 21 Cb 0.42 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2nuu h LEU 21 CO 0.01 0.51 0.39 0.15 0.09 0.00 0.00 178.44 179.59 2nuu h PHE 22 N 0.36 0.93 -0.71 1.13 3.57 0.01 0.17 116.94 122.40 2nuu h PHE 22 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2nuu h PHE 22 Cb 0.41 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2nuu h PHE 22 CO 0.01 0.64 0.47 0.52 -2.23 0.00 0.00 178.31 177.72 2nuu h MET 23 N 0.96 0.87 0.00 1.11 2.86 -0.79 -2.43 114.93 117.51 2nuu h MET 23 Ca 0.25 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2nuu h MET 23 Cb 0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2nuu h MET 23 CO -0.04 0.58 -0.52 1.15 1.06 0.00 0.00 176.91 179.13 2nuu h THR 24 N 0.90 0.95 -3.42 2.22 2.02 -1.44 0.74 112.91 114.87 2nuu h THR 24 Ca 0.28 -1.89 -0.73 0.00 0.77 0.00 0.00 66.41 64.84 2nuu h THR 24 Cb 0.00 1.97 -0.30 0.00 -1.74 0.00 0.00 68.15 68.08 2nuu h THR 24 CO -0.07 0.32 -0.31 -0.63 0.37 0.00 0.00 175.52 175.20 2nuu s ILE 25 N -2.17 4.34 -1.59 3.11 -1.09 0.53 -3.17 121.20 121.15 2nuu s ILE 25 Ca -0.19 -2.12 0.14 0.00 -2.23 0.00 0.00 60.65 56.25 2nuu s ILE 25 Cb 0.01 -3.82 0.21 0.00 -1.58 0.00 0.00 42.46 37.28 2nuu s ILE 25 CO 0.48 -0.84 1.08 -0.81 -1.23 0.00 0.00 174.94 173.62 2nuu n PRO 26 N 4.49 1.60 0.00 2.79 -0.04 -1.12 -4.17 135.00 138.56 2nuu n PRO 26 Ca -0.02 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2nuu n PRO 26 Cb 0.41 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.81 -2.15 0.32 0.55 0.00 -0.93 -0.64 105.19 103.15 2nuu n GLY 27 Ca 0.11 0.43 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 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 1.22 -0.61 -0.61 6.09 0.45 -1.49 117.51 122.56 2nuu h ILE 28 Ca 0.00 -0.66 -0.05 0.00 -1.37 0.00 0.00 64.86 62.79 2nuu h ILE 28 Cb 0.00 0.42 -0.03 0.00 0.47 0.00 0.00 36.82 37.68 2nuu h ILE 28 CO 0.00 0.27 0.20 0.00 -3.07 0.00 0.00 178.15 175.55 2nuu h ALA 29 N 1.38 0.79 -0.12 0.18 0.00 -1.48 0.07 119.26 120.08 2nuu h ALA 29 Ca 0.22 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2nuu h ALA 29 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2nuu h ALA 29 CO -0.02 0.45 -0.70 -0.07 0.00 0.00 0.00 179.25 178.91 2nuu h LEU 30 N 0.86 0.61 0.45 0.00 3.38 -0.72 0.10 115.31 119.99 2nuu h LEU 30 Ca 0.20 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2nuu h LEU 30 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2nuu h LEU 30 CO -0.01 1.13 -0.22 0.15 0.09 0.00 0.00 178.44 179.58 2nuu h PHE 31 N 0.37 -0.56 -0.46 1.13 3.57 -0.96 -1.01 116.94 119.01 2nuu h PHE 31 Ca -0.03 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 2nuu h PHE 31 Cb 1.28 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 2nuu h PHE 31 CO 0.05 -0.30 -0.27 1.88 -2.23 0.00 0.00 178.31 177.44 2nuu h TYR 32 N -0.71 1.15 -0.43 0.41 0.05 -1.05 -2.90 116.97 113.50 2nuu h TYR 32 Ca -0.06 -0.30 0.08 0.00 0.05 0.00 0.00 58.73 58.49 2nuu h TYR 32 Cb 0.52 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.93 2nuu h TYR 32 CO -0.02 1.14 0.03 0.78 -1.05 0.00 0.00 178.16 179.03 2nuu h GLY 33 N 0.84 0.46 1.94 3.88 0.00 -0.74 -1.98 103.07 107.47 2nuu h GLY 33 Ca 0.10 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2nuu h GLY 33 CO 0.08 -0.09 -0.32 -1.33 0.00 0.00 0.00 176.54 174.88 2nuu h GLY 34 N 0.14 0.08 2.00 4.60 0.00 -1.16 -3.10 103.07 105.64 2nuu h GLY 34 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 2nuu h GLY 34 CO -0.32 0.06 -0.27 1.41 0.00 0.00 0.00 176.54 177.41 2nuu h LEU 35 N 0.06 0.00-10.59 3.11 3.38 -1.15 -2.49 115.31 107.64 2nuu h LEU 35 Ca 0.01 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2nuu h LEU 35 Cb 0.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 2nuu h LEU 35 CO 0.04 0.27 -0.11 0.27 0.09 0.00 0.00 178.44 179.00 2nuu s ILE 36 N -4.06 2.42 0.58 1.22 -4.36 -1.10 -3.68 121.20 112.22 2nuu s ILE 36 Ca -0.02 -0.93 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 2nuu s ILE 36 Cb 0.13 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 2nuu s ILE 36 CO 0.66 0.00 1.05 -0.13 0.24 0.00 0.00 174.94 176.77 2nuu s ARG 37 N -4.64 3.39 0.38 0.37 0.52 -1.26 -2.30 118.95 115.41 2nuu s ARG 37 Ca 0.60 1.22 0.14 0.00 -0.52 0.00 0.00 55.73 57.17 2nuu s ARG 37 Cb -0.07 -2.04 0.98 0.00 0.52 0.00 0.00 34.95 34.34 2nuu s ARG 37 CO 0.38 -0.75 1.82 0.78 0.02 0.00 0.00 175.30 177.55 2nuu h GLY 38 N 0.59 1.17 2.00 -3.53 0.00 -1.91 -1.05 103.07 100.34 2nuu h GLY 38 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2nuu h GLY 38 CO 0.58 -0.03 0.00 0.58 0.00 0.00 0.00 176.54 177.67 2nuu n LYS 39 N -4.59 0.11 0.00 4.80 2.85 -1.26 -3.23 118.16 116.84 2nuu n LYS 39 Ca 0.21 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2nuu n LYS 39 Cb 0.68 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 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 -1.96 1.10 -0.14 -5.58 3.02 -0.42 -2.38 115.26 108.90 2nuu n ASN 40 Ca 0.01 -1.32 -0.06 0.00 -0.03 0.00 0.00 54.58 53.18 2nuu n ASN 40 Cb 0.14 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.42 1.00 -1.00 2.41 3.04 -1.47 -2.90 116.25 117.75 2nuu h VAL 41 Ca 0.00 -0.16 0.01 0.00 -1.01 0.00 0.00 66.70 65.54 2nuu h VAL 41 Cb 0.32 0.49 -0.05 0.00 -2.01 0.00 0.00 31.29 30.05 2nuu h VAL 41 CO 0.00 0.08 0.66 -0.07 -1.01 0.00 0.00 177.57 177.23 2nuu h LEU 42 N 0.46 1.14 -1.19 3.16 3.38 -1.88 -1.83 115.31 118.55 2nuu h LEU 42 Ca 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2nuu h LEU 42 Cb 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2nuu h LEU 42 CO -0.11 0.82 0.55 0.77 0.09 0.00 0.00 178.44 180.56 2nuu h SER 43 N 1.34 0.94 -0.29 -0.43 4.64 -1.82 0.36 113.55 118.29 2nuu h SER 43 Ca 0.37 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 2nuu h SER 43 Cb -0.14 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.71 2nuu h SER 43 CO -0.08 0.67 -0.31 -0.03 -0.87 0.00 0.00 176.83 176.21 2nuu h MET 44 N 1.10 0.81 -0.21 4.77 1.85 -1.20 0.16 114.93 122.22 2nuu h MET 44 Ca 0.31 -0.37 -0.21 0.00 -0.61 0.00 0.00 59.70 58.82 2nuu h MET 44 Cb -0.10 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 31.93 2nuu h MET 44 CO -0.07 1.00 -0.69 -0.07 -0.40 0.00 0.00 176.91 176.68 2nuu h LEU 45 N 0.68 0.97 -0.75 3.39 3.38 -0.57 -2.84 115.31 119.57 2nuu h LEU 45 Ca 0.08 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.33 2nuu h LEU 45 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2nuu h LEU 45 CO 0.07 1.39 -0.42 0.74 0.09 0.00 0.00 178.44 180.31 2nuu h THR 46 N 0.59 1.31 -0.43 0.22 2.02 -0.25 -2.21 112.91 114.16 2nuu h THR 46 Ca -0.03 -1.59 -0.09 0.00 0.77 0.00 0.00 66.41 65.48 2nuu h THR 46 Cb 1.32 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2nuu h THR 46 CO 0.15 0.49 -0.07 1.56 0.37 0.00 0.00 175.52 178.02 2nuu h GLN 47 N 0.36 0.81 -0.09 6.66 4.20 -0.65 -1.68 115.11 124.72 2nuu h GLN 47 Ca 0.03 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 2nuu h GLN 47 Cb 0.90 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 2nuu h GLN 47 CO 0.08 0.91 -0.07 0.28 -0.67 0.00 0.00 178.83 179.36 2nuu h VAL 48 N 0.64 1.35 -0.15 -0.54 2.07 -1.48 -1.85 116.25 116.30 2nuu h VAL 48 Ca 0.11 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.50 2nuu h VAL 48 Cb 0.59 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2nuu h VAL 48 CO 0.04 0.33 -0.08 0.74 0.02 0.00 0.00 177.57 178.62 2nuu h THR 49 N -0.19 0.75 -0.40 2.57 2.02 -1.38 0.94 112.91 117.22 2nuu h THR 49 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2nuu h THR 49 Cb 0.56 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2nuu h THR 49 CO 0.02 0.00 -0.16 0.58 0.37 0.00 0.00 175.52 176.33 2nuu h VAL 50 N -0.07 1.28 -0.75 3.16 2.07 -1.37 -1.48 116.25 119.08 2nuu h VAL 50 Ca 0.08 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2nuu h VAL 50 Cb 0.19 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2nuu h VAL 50 CO -0.19 0.43 0.30 0.71 0.02 0.00 0.00 177.57 178.84 2nuu h THR 51 N 0.62 1.25 -0.21 2.57 1.35 -1.14 -0.71 112.91 116.64 2nuu h THR 51 Ca 0.09 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2nuu h THR 51 Cb 0.71 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 2nuu h THR 51 CO 0.05 0.32 0.10 0.15 -0.25 0.00 0.00 175.52 175.90 2nuu h PHE 52 N 1.09 0.19 -0.51 4.73 3.57 -0.72 0.19 116.94 125.48 2nuu h PHE 52 Ca 0.25 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.78 2nuu h PHE 52 Cb 0.21 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2nuu h PHE 52 CO 0.02 0.10 0.31 0.00 -2.23 0.00 0.00 178.31 176.51 2nuu h ALA 53 N 1.11 0.66 -0.11 2.41 0.00 -0.90 -2.04 119.26 120.39 2nuu h ALA 53 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nuu h ALA 53 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nuu h ALA 53 CO -0.06 0.02 0.07 1.25 0.00 0.00 0.00 179.25 180.53 2nuu h LEU 54 N 0.62 0.13 -0.32 0.00 5.85 -0.53 -2.71 115.31 118.35 2nuu h LEU 54 Ca 0.20 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2nuu h LEU 54 Cb 0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2nuu h LEU 54 CO -0.09 0.09 0.13 0.58 -0.34 0.00 0.00 178.44 178.81 2nuu h VAL 55 N 0.15 0.93 -0.48 1.05 2.07 -0.46 -1.64 116.25 117.88 2nuu h VAL 55 Ca 0.04 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2nuu h VAL 55 Cb -0.02 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2nuu h VAL 55 CO -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 177.57 177.63 2nuu h ILE 57 N 0.11 1.31 -0.96 0.00 1.08 -1.23 -2.79 117.51 115.03 2nuu h ILE 57 Ca 0.24 -1.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.58 2nuu h ILE 57 Cb 0.36 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 2nuu h ILE 57 CO -0.40 0.35 0.63 -0.07 -0.69 0.00 0.00 178.15 177.97 2nuu h LEU 58 N 0.07 1.07 0.25 1.44 3.38 -0.98 -1.37 115.31 119.16 2nuu h LEU 58 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2nuu h LEU 58 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2nuu h LEU 58 CO 0.03 0.75 -0.12 -0.25 0.09 0.00 0.00 178.44 178.94 2nuu h TRP 59 N 1.25 -0.31 -0.37 1.13 2.91 -0.89 -0.87 115.95 118.81 2nuu h TRP 59 Ca 0.37 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.26 2nuu h TRP 59 Cb -0.05 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 2nuu h TRP 59 CO -0.00 -0.15 -0.27 -0.39 -1.03 0.00 0.00 178.44 176.60 2nuu h VAL 60 N -0.38 1.28 -0.25 2.65 -1.51 -1.36 0.52 116.25 117.19 2nuu h VAL 60 Ca -0.03 -1.40 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 2nuu h VAL 60 Cb 0.29 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2nuu h VAL 60 CO 0.06 0.46 0.13 0.58 -1.23 0.00 0.00 177.57 177.57 2nuu h VAL 61 N 0.65 1.12 0.00 7.19 2.07 -1.18 -2.82 116.25 123.28 2nuu h VAL 61 Ca 0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2nuu h VAL 61 Cb 0.79 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2nuu h VAL 61 CO 0.06 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2nuu n TYR 62 N -4.84 0.00 -0.24 1.57 0.18 -0.72 -0.95 117.16 112.15 2nuu n TYR 62 Ca -0.03 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.68 2nuu n TYR 62 Cb 0.08 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 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 -0.40 0.97 -7.48 0.00 -0.23 -1.24 103.07 94.69 2nuu h GLY 63 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 2nuu h GLY 63 CO 0.00 -0.15 0.20 -1.82 0.00 0.00 0.00 176.54 174.77 2nuu h TYR 64 N -0.18 0.47 -0.25 5.60 3.20 -1.21 -0.15 116.97 124.46 2nuu h TYR 64 Ca 0.20 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 2nuu h TYR 64 Cb 0.56 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2nuu h TYR 64 CO -0.75 0.36 0.06 1.03 -1.64 0.00 0.00 178.16 177.21 2nuu h SER 65 N 0.45 0.03 1.09 -2.11 0.87 -1.67 0.59 113.55 112.80 2nuu h SER 65 Ca 0.12 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2nuu h SER 65 Cb 0.03 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2nuu h SER 65 CO -0.02 0.05 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.94 2nuu h LEU 66 N 0.15 0.00 0.12 2.23 3.38 -1.15 -0.81 115.31 119.23 2nuu h LEU 66 Ca 0.11 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 2nuu h LEU 66 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2nuu h LEU 66 CO -0.14 0.31 -1.44 0.00 0.09 0.00 0.00 178.44 177.26 2nuu h ALA 67 N 1.69 0.18 -0.00 1.53 0.00 -0.58 0.15 119.26 122.23 2nuu h ALA 67 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2nuu h ALA 67 Cb 0.95 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2nuu h ALA 67 CO 0.04 0.84 -0.52 1.19 0.00 0.00 0.00 179.25 180.81 2nuu n PHE 68 N -3.90 0.00 -1.05 0.00 3.72 0.20 -4.01 117.46 112.42 2nuu n PHE 68 Ca -0.25 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.86 2nuu n PHE 68 Cb 0.91 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.67 2nuu n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2nuu s GLY 69 N -2.03 1.56 -0.15 1.37 0.00 -0.32 -4.98 107.32 102.77 2nuu s GLY 69 Ca 0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 44.72 43.90 2nuu s GLY 69 CO 0.45 0.12 0.69 -1.83 0.00 0.00 0.00 173.10 172.53 2nuu s GLU 70 N -5.13 4.29 0.00 2.90 -1.05 -1.26 -4.55 118.70 113.90 2nuu s GLU 70 Ca 0.68 0.77 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 2nuu s GLU 70 Cb -0.15 -3.54 0.00 0.00 -0.44 0.00 0.00 34.13 30.00 2nuu s GLU 70 CO 0.57 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 177.03 2nuu n GLY 71 N 3.52 4.68 0.00 -3.83 0.00 -1.26 -4.17 105.19 104.13 2nuu n GLY 71 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.76 1.61 0.23 -0.96 -4.98 115.26 110.41 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 0.09 0.00 -2.08 0.00 0.00 39.78 37.79 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 2.60 0.00 0.53 3.02 -1.26 -4.71 115.26 115.44 2nuu n ASN 73 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2nuu n ASN 73 Cb 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2nuu n ASN 73 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2nuu n PHE 74 N 1.06 0.00 -4.43 3.10 3.01 -1.26 -2.19 117.46 116.75 2nuu n PHE 74 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 2nuu n PHE 74 Cb 0.47 0.13 -0.10 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.91 2.52 0.00 1.38 0.08 -1.26 -4.25 117.98 114.55 2nuu s PHE 75 Ca 0.00 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2nuu s PHE 75 Cb 0.00 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 2nuu s PHE 75 CO 0.00 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 2nuu n GLY 76 N -0.99 0.22 3.65 4.36 0.00 0.54 -2.25 105.19 110.71 2nuu n GLY 76 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.00 -0.05 -0.41 1.61 6.03 -1.18 -4.05 114.94 115.89 2nuu s ASN 77 Ca 0.00 -0.91 0.05 0.00 -1.03 0.00 0.00 52.86 50.97 2nuu s ASN 77 Cb 0.00 0.64 0.66 0.00 -3.03 0.00 0.00 41.25 39.52 2nuu s ASN 77 CO 0.00 -1.23 1.85 2.30 -2.03 0.00 0.00 177.10 177.99 2nuu n ILE 78 N -0.42 3.09 0.06 0.54 -5.35 -1.26 -3.11 119.36 112.91 2nuu n ILE 78 Ca -0.02 -1.98 -0.07 0.00 -0.27 0.00 0.00 62.75 60.41 2nuu n ILE 78 Cb 0.61 -0.44 0.09 0.00 -1.74 0.00 0.00 39.64 38.16 2nuu n ILE 78 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2nuu h ASN 79 N 1.24 0.37 -0.97 7.28 -0.26 -1.93 -3.26 115.58 118.05 2nuu h ASN 79 Ca 0.54 -0.22 -0.66 0.00 -0.56 0.00 0.00 56.30 55.40 2nuu h ASN 79 Cb 2.66 -0.11 -0.31 0.00 -1.06 0.00 0.00 38.32 39.50 2nuu h ASN 79 CO 0.97 0.90 0.68 0.79 -1.06 0.00 0.00 177.43 179.71 2nuu n TRP 80 N -3.87 3.18 -1.88 1.19 8.01 -1.25 -4.44 117.44 118.37 2nuu n TRP 80 Ca -0.03 -2.93 -0.42 0.00 -1.31 0.00 0.00 57.50 52.81 2nuu n TRP 80 Cb 0.64 -1.32 -0.03 0.00 -2.01 0.00 0.00 31.31 28.59 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 -3.80 4.37 -1.48 -0.99 1.98 -1.23 -1.84 118.68 115.69 2nuu s LEU 81 Ca 0.63 2.42 -0.04 0.00 -2.89 0.00 0.00 54.13 54.25 2nuu s LEU 81 Cb 0.50 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.83 2nuu s LEU 81 CO -0.00 -0.97 0.40 0.23 -1.89 0.00 0.00 176.35 174.12 2nuu n MET 82 N 7.11 -3.67 -1.50 1.98 2.81 -0.12 -1.82 117.12 121.91 2nuu n MET 82 Ca 0.18 0.80 -0.15 0.00 -1.81 0.00 0.00 57.70 56.72 2nuu n MET 82 Cb 0.42 -5.56 -0.06 0.00 -0.71 0.00 0.00 33.22 27.31 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 -3.63 -1.12 -4.81 4.03 4.77 -0.76 -4.97 117.00 110.51 2nuu n LEU 83 Ca -0.12 0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 2nuu n LEU 83 Cb 0.62 -2.16 -0.04 0.00 -2.33 0.00 0.00 43.42 39.51 2nuu n LEU 83 CO 0.41 -0.71 0.70 -1.59 -1.33 0.00 0.00 177.39 174.86 2nuu s LYS 84 N -3.37 3.84 0.00 3.23 -2.85 -0.76 -3.30 119.74 116.54 2nuu s LYS 84 Ca 0.00 1.25 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 2nuu s LYS 84 Cb 0.00 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 2nuu s LYS 84 CO 0.00 -0.38 0.00 0.09 0.10 0.00 0.00 175.35 175.16 2nuu n ASN 85 N -1.09 0.00 -4.24 0.03 3.02 -1.26 -3.96 115.26 107.75 2nuu n ASN 85 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 2nuu n ASN 85 Cb 0.53 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 2nuu n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nuu s ILE 86 N -3.52 4.27 0.43 2.41 1.01 -1.21 -5.06 121.20 119.53 2nuu s ILE 86 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 60.65 58.77 2nuu s ILE 86 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 2nuu s ILE 86 CO 0.00 -0.68 1.30 -1.61 0.00 0.00 0.00 174.94 173.95 2nuu s GLU 87 N 1.40 3.85 0.57 2.79 2.02 -1.26 -4.88 118.70 123.19 2nuu s GLU 87 Ca 0.05 2.13 0.29 0.00 0.02 0.00 0.00 54.97 57.46 2nuu s GLU 87 Cb -0.25 -2.66 1.47 0.00 0.10 0.00 0.00 34.13 32.78 2nuu s GLU 87 CO 0.01 -0.58 1.90 1.25 0.02 0.00 0.00 175.26 177.85 2nuu h LEU 88 N 2.47 0.00 -1.11 1.80 5.85 -1.97 0.41 115.31 122.76 2nuu h LEU 88 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2nuu h LEU 88 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2nuu h LEU 88 CO 0.62 0.00 -0.14 0.35 -0.34 0.00 0.00 178.44 178.92 2nuu n THR 89 N -3.88 0.00 -1.66 1.05 -2.24 -1.26 -4.80 114.28 101.49 2nuu n THR 89 Ca 0.11 -0.29 -0.50 0.00 -2.27 0.00 0.00 64.05 61.10 2nuu n THR 89 Cb 0.73 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 2nuu n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nuu n ALA 90 N 0.25 0.44 -2.82 6.98 0.00 0.13 -4.86 120.51 120.64 2nuu n ALA 90 Ca 0.14 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.65 2nuu n ALA 90 Cb 0.44 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.49 2nuu n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nuu s VAL 91 N 1.99 4.73 -0.27 0.00 1.01 -1.26 0.34 120.40 126.93 2nuu s VAL 91 Ca 0.87 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2nuu s VAL 91 Cb -0.81 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 32.54 2nuu s VAL 91 CO 0.48 0.50 -0.07 -0.32 0.00 0.00 0.00 175.10 175.69 2nuu s MET 92 N 0.08 1.98 6.19 2.72 0.00 0.41 -4.78 119.30 125.90 2nuu s MET 92 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 55.69 54.34 2nuu s MET 92 Cb -0.12 -2.89 0.00 0.00 0.00 0.00 0.00 34.83 31.81 2nuu s MET 92 CO 0.01 -0.65 0.00 0.41 0.00 0.00 0.00 175.02 174.79 2nuu n GLY 93 N 4.44 1.70 0.00 2.11 0.00 -1.26 -2.16 105.19 110.01 2nuu n GLY 93 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 10.39 1.25 -4.51 1.61 3.41 -1.26 -4.94 113.62 119.57 2nuu n SER 94 Ca 0.00 -1.61 -0.26 0.00 -0.26 0.00 0.00 58.87 56.75 2nuu n SER 94 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.61 2.81 0.13 -1.33 -4.36 -0.92 0.19 121.20 117.12 2nuu s ILE 95 Ca 0.00 -1.97 -0.31 0.00 -0.26 0.00 0.00 60.65 58.11 2nuu s ILE 95 Cb 0.00 -2.41 -0.08 0.00 1.25 0.00 0.00 42.46 41.22 2nuu s ILE 95 CO 0.00 -0.21 1.38 -0.31 0.24 0.00 0.00 174.94 176.04 2nuu s TYR 96 N -1.96 3.24 0.34 1.37 2.02 -1.26 -0.45 117.35 120.65 2nuu s TYR 96 Ca 0.26 0.99 0.14 0.00 -0.37 0.00 0.00 57.07 58.08 2nuu s TYR 96 Cb -0.07 -3.68 1.05 0.00 -0.40 0.00 0.00 41.96 38.86 2nuu s TYR 96 CO 0.14 -2.34 1.67 0.37 -1.57 0.00 0.00 175.55 173.83 2nuu h GLN 97 N 6.56 0.35 -0.38 -0.62 4.15 -0.41 0.21 115.11 124.96 2nuu h GLN 97 Ca -0.43 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.08 2nuu h GLN 97 Cb 1.21 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2nuu h GLN 97 CO 0.85 0.23 0.41 1.88 -1.93 0.00 0.00 178.83 180.28 2nuu h TYR 98 N 0.37 0.00 0.16 3.99 -1.99 -1.87 0.32 116.97 117.95 2nuu h TYR 98 Ca 0.72 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 61.16 2nuu h TYR 98 Cb 1.60 0.00 0.02 0.00 2.00 0.00 0.00 36.73 40.35 2nuu h TYR 98 CO -0.01 0.00 -1.29 0.82 -0.00 0.00 0.00 178.16 177.68 2nuu h ILE 99 N 0.00 1.41 -0.69 -2.88 2.04 -0.95 -3.01 117.51 113.43 2nuu h ILE 99 Ca 0.18 -2.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.17 2nuu h ILE 99 Cb 1.01 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 2nuu h ILE 99 CO -0.00 0.85 0.41 -0.74 0.00 0.00 0.00 178.15 178.67 2nuu h HIS 100 N 0.12 0.92 0.13 1.37 2.76 -0.40 0.13 115.15 120.19 2nuu h HIS 100 Ca -0.17 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.01 2nuu h HIS 100 Cb 2.00 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 30.63 2nuu h HIS 100 CO 0.09 0.63 -0.22 0.28 -1.30 0.00 0.00 177.93 177.40 2nuu h VAL 101 N 0.95 0.51 -0.48 5.26 2.07 -1.26 0.06 116.25 123.35 2nuu h VAL 101 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2nuu h VAL 101 Cb -0.02 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2nuu h VAL 101 CO -0.05 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.82 2nuu h ALA 102 N 0.35 0.61 0.32 1.67 0.00 -1.35 0.14 119.26 121.01 2nuu h ALA 102 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nuu h ALA 102 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2nuu h ALA 102 CO -0.11 0.12 -0.24 0.35 0.00 0.00 0.00 179.25 179.36 2nuu h PHE 103 N 0.64 -0.64 0.00 0.00 3.57 -0.52 -1.47 116.94 118.51 2nuu h PHE 103 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2nuu h PHE 103 Cb 0.02 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2nuu h PHE 103 CO -0.02 -0.37 -0.19 1.96 -2.23 0.00 0.00 178.31 177.46 2nuu h GLN 104 N -0.57 0.00 -0.16 1.11 1.08 -0.90 -2.47 115.11 113.20 2nuu h GLN 104 Ca -0.02 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.05 2nuu h GLN 104 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2nuu h GLN 104 CO -0.01 0.19 -0.46 0.78 -0.95 0.00 0.00 178.83 178.39 2nuu h GLY 105 N 0.58 0.45 2.00 3.46 0.00 -0.61 -2.73 103.07 106.21 2nuu h GLY 105 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2nuu h GLY 105 CO 0.02 0.42 -0.12 1.48 0.00 0.00 0.00 176.54 178.34 2nuu h SER 106 N 0.33 0.00 -0.11 0.19 4.64 -0.79 -2.19 113.55 115.63 2nuu h SER 106 Ca 0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 2nuu h SER 106 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2nuu h SER 106 CO 0.08 0.12 -0.81 -0.26 -0.87 0.00 0.00 176.83 175.09 2nuu h PHE 107 N 0.00 1.05 -0.41 4.77 -1.00 -1.45 -2.80 116.94 117.10 2nuu h PHE 107 Ca -0.00 -0.48 -0.05 0.00 2.81 0.00 0.00 57.97 60.25 2nuu h PHE 107 Cb 0.40 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 2nuu h PHE 107 CO 0.00 1.31 0.04 0.00 -1.61 0.00 0.00 178.31 178.05 2nuu h ALA 108 N 0.56 1.31 0.04 2.45 0.00 -1.32 -1.90 119.26 120.39 2nuu h ALA 108 Ca -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2nuu h ALA 108 Cb 1.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2nuu h ALA 108 CO 0.16 0.48 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2nuu h ILE 110 N -0.37 1.24 -0.41 0.00 6.09 -1.39 0.66 117.51 123.34 2nuu h ILE 110 Ca -0.01 -0.58 0.01 0.00 -1.37 0.00 0.00 64.86 62.91 2nuu h ILE 110 Cb 0.34 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.68 2nuu h ILE 110 CO 0.01 0.27 0.26 0.74 -3.07 0.00 0.00 178.15 176.35 2nuu h THR 111 N 1.19 1.08 -0.31 2.19 2.02 -1.32 0.39 112.91 118.15 2nuu h THR 111 Ca 0.30 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 2nuu h THR 111 Cb 0.00 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2nuu h THR 111 CO -0.05 0.10 -0.23 0.58 0.37 0.00 0.00 175.52 176.28 2nuu h VAL 112 N 0.52 1.27 -0.20 3.16 2.07 -1.12 -2.86 116.25 119.08 2nuu h VAL 112 Ca 0.16 -1.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 2nuu h VAL 112 Cb -0.03 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2nuu h VAL 112 CO -0.05 0.41 -0.19 1.23 0.02 0.00 0.00 177.57 178.99 2nuu h GLY 113 N 1.00 0.38 1.53 2.17 0.00 -0.05 -2.94 103.07 105.16 2nuu h GLY 113 Ca 0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2nuu h GLY 113 CO 0.05 0.25 -0.33 1.41 0.00 0.00 0.00 176.54 177.92 2nuu h LEU 114 N 0.32 0.55 -0.25 3.11 3.38 -0.71 -3.32 115.31 118.39 2nuu h LEU 114 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2nuu h LEU 114 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2nuu h LEU 114 CO 0.03 0.84 0.12 0.40 0.09 0.00 0.00 178.44 179.93 2nuu h ILE 115 N 0.46 1.14 -1.27 1.22 2.04 -1.50 -3.24 117.51 116.36 2nuu h ILE 115 Ca 0.05 -0.40 0.37 0.00 1.00 0.00 0.00 64.86 65.88 2nuu h ILE 115 Cb 0.79 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2nuu h ILE 115 CO 0.06 0.14 0.99 0.58 0.00 0.00 0.00 178.15 179.92 2nuu h VAL 116 N 0.28 0.26 0.00 1.67 2.07 -1.66 -0.55 116.25 118.32 2nuu h VAL 116 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2nuu h VAL 116 Cb 0.11 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2nuu h VAL 116 CO -0.01 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.81 2nuu h GLY 117 N 0.00 0.00 1.46 2.17 0.00 -1.77 -2.48 103.07 102.45 2nuu h GLY 117 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2nuu h GLY 117 CO -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 176.00 2nuu h ALA 118 N 2.01 0.73 -0.02 3.60 0.00 -1.33 -2.86 119.26 121.39 2nuu h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 118 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2nuu h ALA 118 CO 0.00 0.00 -0.17 1.28 0.00 0.00 0.00 179.25 180.36 2nuu n LEU 119 N -2.85 2.55 -4.52 0.00 4.77 -0.95 -4.38 117.00 111.63 2nuu n LEU 119 Ca 0.02 -0.91 -0.37 0.00 -0.03 0.00 0.00 56.01 54.72 2nuu n LEU 119 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2nuu n LEU 119 CO 0.37 0.44 0.22 0.00 -1.33 0.00 0.00 177.39 177.10 2nuu n ALA 120 N 0.79 -0.91 -0.28 -1.18 0.00 -1.09 -3.07 120.51 114.76 2nuu n ALA 120 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2nuu n ALA 120 Cb 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.80 0.00 0.00 0.00 1.02 -1.26 -4.62 120.64 114.99 2nuu n GLU 121 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2nuu n GLU 121 Cb 0.49 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 2nuu n GLU 121 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2nuu n ARG 122 N -2.00 2.27 -2.29 3.49 0.00 -1.24 -4.84 116.66 112.05 2nuu n ARG 122 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2nuu n ARG 122 Cb 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.46 32.26 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 0.00 3.93 0.05 8.89 2.07 -1.17 -2.13 121.20 132.84 2nuu s ILE 123 Ca 0.00 1.02 -0.22 0.00 -1.41 0.00 0.00 60.65 60.04 2nuu s ILE 123 Cb 0.00 -3.46 -0.06 0.00 0.13 0.00 0.00 42.46 39.07 2nuu s ILE 123 CO 0.00 -0.44 0.66 -0.60 -1.91 0.00 0.00 174.94 172.65 2nuu s ARG 124 N -3.77 4.38 0.13 3.50 3.52 -0.06 -4.71 118.95 121.94 2nuu s ARG 124 Ca 0.64 0.89 -0.24 0.00 -0.13 0.00 0.00 55.73 56.89 2nuu s ARG 124 Cb -0.15 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2nuu s ARG 124 CO 0.30 0.42 1.65 0.35 -0.81 0.00 0.00 175.30 177.20 2nuu h PHE 125 N 5.28 -0.56 -0.44 5.12 3.04 -1.95 -2.33 116.94 125.10 2nuu h PHE 125 Ca -0.46 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.55 2nuu h PHE 125 Cb 1.21 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 2nuu h PHE 125 CO 0.66 -0.29 0.29 0.66 -2.02 0.00 0.00 178.31 177.61 2nuu h SER 126 N -0.29 0.40 -0.44 0.41 4.64 -1.96 -1.71 113.55 114.59 2nuu h SER 126 Ca 0.09 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2nuu h SER 126 Cb 0.41 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2nuu h SER 126 CO -0.25 0.27 0.09 0.00 -0.87 0.00 0.00 176.83 176.07 2nuu h ALA 127 N 1.75 1.21 -0.52 5.18 0.00 -1.73 -2.76 119.26 122.39 2nuu h ALA 127 Ca 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2nuu h ALA 127 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2nuu h ALA 127 CO -0.04 0.54 0.00 -0.24 0.00 0.00 0.00 179.25 179.51 2nuu h VAL 128 N 0.76 1.26 -0.58 0.00 3.04 -0.91 -2.20 116.25 117.62 2nuu h VAL 128 Ca 0.16 -1.09 0.01 0.00 -1.01 0.00 0.00 66.70 64.77 2nuu h VAL 128 Cb 0.33 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 2nuu h VAL 128 CO 0.00 0.39 0.38 -0.07 -1.01 0.00 0.00 177.57 177.26 2nuu h LEU 129 N 0.79 0.66 -0.14 3.16 3.38 -1.44 -1.10 115.31 120.62 2nuu h LEU 129 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2nuu h LEU 129 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2nuu h LEU 129 CO 0.03 0.48 0.09 0.40 0.09 0.00 0.00 178.44 179.53 2nuu h ILE 130 N 0.79 1.04 -0.14 1.22 2.04 -1.35 -2.73 117.51 118.39 2nuu h ILE 130 Ca 0.21 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.03 2nuu h ILE 130 Cb -0.09 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2nuu h ILE 130 CO -0.05 0.04 -0.13 0.15 0.00 0.00 0.00 178.15 178.17 2nuu h PHE 131 N 0.19 -0.32 -0.91 1.37 3.57 -0.96 -2.78 116.94 117.11 2nuu h PHE 131 Ca 0.05 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.71 2nuu h PHE 131 Cb -0.01 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.80 2nuu h PHE 131 CO -0.07 -0.19 0.52 0.28 -2.23 0.00 0.00 178.31 176.62 2nuu h VAL 132 N -0.15 0.80 -0.56 1.41 2.07 -1.06 0.16 116.25 118.93 2nuu h VAL 132 Ca 0.09 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2nuu h VAL 132 Cb 0.28 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2nuu h VAL 132 CO -0.23 0.14 0.10 0.58 0.02 0.00 0.00 177.57 178.18 2nuu h VAL 133 N 0.76 1.25 -0.07 2.57 2.07 -1.22 -1.06 116.25 120.56 2nuu h VAL 133 Ca 0.48 -0.96 -0.23 0.00 0.82 0.00 0.00 66.70 66.82 2nuu h VAL 133 Cb 0.61 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2nuu h VAL 133 CO -0.32 0.35 -0.87 0.58 0.02 0.00 0.00 177.57 177.32 2nuu h VAL 134 N 0.81 1.32 -0.13 2.57 2.07 -1.16 -3.11 116.25 118.62 2nuu h VAL 134 Ca 0.17 -2.16 -0.18 0.00 0.82 0.00 0.00 66.70 65.35 2nuu h VAL 134 Cb 0.40 2.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2nuu h VAL 134 CO 0.01 0.67 -0.62 -0.25 0.02 0.00 0.00 177.57 177.39 2nuu h TRP 135 N 0.40 0.87 0.22 1.57 7.01 -0.94 -1.57 115.95 123.51 2nuu h TRP 135 Ca -0.07 -0.38 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 2nuu h TRP 135 Cb 1.50 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2nuu h TRP 135 CO 0.08 1.19 -0.11 1.25 -2.79 0.00 0.00 178.44 178.06 2nuu h LEU 136 N 0.30 -0.25 0.32 0.65 5.85 -1.32 0.53 115.31 121.39 2nuu h LEU 136 Ca -0.04 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2nuu h LEU 136 Cb 1.26 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2nuu h LEU 136 CO 0.13 -0.13 -0.15 0.74 -0.34 0.00 0.00 178.44 178.69 2nuu h THR 137 N -0.35 0.71 -0.00 1.05 2.02 -1.61 -0.64 112.91 114.09 2nuu h THR 137 Ca -0.03 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2nuu h THR 137 Cb 0.27 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2nuu h THR 137 CO 0.05 0.06 -0.49 0.18 0.37 0.00 0.00 175.52 175.68 2nuu n LEU 138 N -5.21 0.74 0.04 2.58 4.77 -0.59 -4.34 117.00 114.98 2nuu n LEU 138 Ca -0.10 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2nuu n LEU 138 Cb 0.23 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2nuu n LEU 138 CO 0.34 0.16 -0.19 -0.24 -1.33 0.00 0.00 177.39 176.13 2nuu n SER 139 N -1.24 0.44 -0.05 -1.43 2.88 0.05 -4.65 113.62 109.62 2nuu n SER 139 Ca 0.07 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.61 2nuu n SER 139 Cb 0.34 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 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 0.00 0.27 0.53 0.66 5.03 -0.94 -2.53 116.97 119.99 2nuu h TYR 140 Ca 0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 2nuu h TYR 140 Cb 0.39 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.57 2nuu h TYR 140 CO 0.00 0.35 -0.43 0.82 -1.32 0.00 0.00 178.16 177.58 2nuu h ILE 141 N 0.11 0.14 -0.94 1.81 2.04 -1.31 -0.61 117.51 118.75 2nuu h ILE 141 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2nuu h ILE 141 Cb 0.20 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 2nuu h ILE 141 CO -0.00 0.00 0.60 1.55 0.00 0.00 0.00 178.15 180.30 2nuu h PRO 142 N -0.94 1.10 -0.54 2.37 0.13 -1.74 -1.55 132.00 130.82 2nuu h PRO 142 Ca -0.06 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2nuu h PRO 142 Cb 0.80 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2nuu h PRO 142 CO -0.00 0.73 0.09 0.82 -0.23 0.00 0.00 178.00 179.41 2nuu h ILE 143 N 1.13 1.24 -0.30 -3.56 2.04 -1.31 -0.03 117.51 116.73 2nuu h ILE 143 Ca 0.39 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 2nuu h ILE 143 Cb 0.09 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2nuu h ILE 143 CO -0.15 0.33 -0.27 0.00 0.00 0.00 0.00 178.15 178.06 2nuu h ALA 144 N 1.28 0.98 -0.25 1.87 0.00 -0.76 -2.11 119.26 120.28 2nuu h ALA 144 Ca 0.17 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2nuu h ALA 144 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nuu h ALA 144 CO 0.01 0.60 -0.39 1.25 0.00 0.00 0.00 179.25 180.72 2nuu h HIS 145 N 0.52 0.67 -0.34 0.00 -0.00 -0.60 -0.47 115.15 114.93 2nuu h HIS 145 Ca 0.07 -0.19 -0.07 0.00 -0.00 0.00 0.00 60.37 60.17 2nuu h HIS 145 Cb 0.73 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 2nuu h HIS 145 CO 0.03 0.87 -0.08 0.52 -0.00 0.00 0.00 177.93 179.27 2nuu h MET 146 N 0.47 0.66 0.09 5.26 2.07 -0.69 -0.85 114.93 121.94 2nuu h MET 146 Ca 0.04 -0.25 -0.29 0.00 -2.07 0.00 0.00 59.70 57.13 2nuu h MET 146 Cb 0.89 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.56 2nuu h MET 146 CO 0.08 0.82 -1.56 0.28 1.07 0.00 0.00 176.91 177.60 2nuu h VAL 147 N 0.45 0.87 -0.00 -2.22 2.07 -1.42 0.16 116.25 116.15 2nuu h VAL 147 Ca 0.09 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2nuu h VAL 147 Cb 0.58 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2nuu h VAL 147 CO 0.03 0.67 -0.32 0.79 0.02 0.00 0.00 177.57 178.77 2nuu n TRP 148 N -3.91 0.00 -1.17 1.57 8.01 -0.25 -4.26 117.44 117.42 2nuu n TRP 148 Ca -0.29 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 55.83 2nuu n TRP 148 Cb 0.89 0.00 0.25 0.00 -2.01 0.00 0.00 31.31 30.44 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 1.10 4.19 2.22 6.99 0.00 -0.45 -4.92 105.19 114.32 2nuu n GLY 149 Ca 0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.65 0.07 0.00 -0.02 0.00 -1.18 -4.86 105.19 98.55 2nuu n GLY 150 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.08 0.32 0.31 -0.02 0.00 -0.48 -4.68 105.19 99.56 2nuu n GLY 151 Ca -0.13 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.96 -0.31 0.99 5.85 -1.52 -0.28 115.31 119.07 2nuu h LEU 152 Ca 0.00 0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 2nuu h LEU 152 Cb 0.00 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2nuu h LEU 152 CO 0.00 -0.28 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.25 2nuu h LEU 153 N -0.15 0.97 -0.02 2.25 3.38 -1.74 -3.02 115.31 116.97 2nuu h LEU 153 Ca 0.23 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2nuu h LEU 153 Cb 0.52 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2nuu h LEU 153 CO -0.62 1.30 0.01 0.00 0.09 0.00 0.00 178.44 179.22 2nuu h ALA 154 N 0.70 0.03 0.00 1.53 0.00 -0.46 -2.07 119.26 118.99 2nuu h ALA 154 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 154 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2nuu h ALA 154 CO 0.11 -0.45 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 2nuu n SER 155 N -5.05 0.46 0.02 0.00 3.41 -0.14 -0.87 113.62 111.46 2nuu n SER 155 Ca -0.07 0.71 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 2nuu n SER 155 Cb 0.05 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.26 2nuu n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2nuu n HIS 156 N -2.11 0.16 -0.85 7.33 -0.00 -0.81 -4.98 115.22 113.95 2nuu n HIS 156 Ca -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2nuu n HIS 156 Cb 0.04 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 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 1.41 1.28 3.77 -1.41 0.00 -0.05 -5.02 105.19 105.18 2nuu n GLY 157 Ca 0.03 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.06 3.27 -0.34 4.61 0.00 -1.00 -5.00 121.76 121.25 2nuu s ALA 158 Ca 0.00 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 53.01 2nuu s ALA 158 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2nuu s ALA 158 CO 0.00 -0.65 0.13 -0.51 0.00 0.00 0.00 175.76 174.73 2nuu s LEU 159 N -2.28 4.31 -0.41 0.00 1.43 -1.26 -4.87 118.68 115.60 2nuu s LEU 159 Ca 0.55 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2nuu s LEU 159 Cb -0.35 -1.92 0.17 0.00 0.03 0.00 0.00 46.19 44.11 2nuu s LEU 159 CO 0.45 -0.31 0.51 -0.62 0.23 0.00 0.00 176.35 176.62 2nuu s ASP 160 N 1.48 -0.07 0.09 2.29 -1.08 -1.26 -4.93 116.67 113.19 2nuu s ASP 160 Ca 0.01 -1.45 -0.22 0.00 -0.52 0.00 0.00 52.55 50.36 2nuu s ASP 160 Cb -0.19 1.14 -0.13 0.00 -1.46 0.00 0.00 42.92 42.29 2nuu s ASP 160 CO 0.04 -0.19 1.70 0.15 0.52 0.00 0.00 175.17 177.39 2nuu h PHE 161 N 6.65 0.10 0.00 -5.34 3.57 -1.49 -3.39 116.94 117.04 2nuu h PHE 161 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2nuu h PHE 161 Cb 1.09 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2nuu h PHE 161 CO 0.23 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 176.43 2nuu n ALA 162 N -2.14 1.73 0.00 2.41 0.00 -0.24 -4.89 120.51 117.38 2nuu n ALA 162 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2nuu n ALA 162 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.13 1.13 0.16 0.00 0.00 -1.26 -4.88 105.19 100.22 2nuu n GLY 163 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.33 0.00 -0.02 0.00 -1.90 0.32 103.07 101.81 2nuu h GLY 164 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2nuu h GLY 164 CO 0.00 -0.12 -0.13 -0.91 0.00 0.00 0.00 176.54 175.38 2nuu h THR 165 N 0.04 0.00 -0.97 4.70 1.35 -1.96 -1.34 112.91 114.74 2nuu h THR 165 Ca 0.19 -0.80 0.25 0.00 -0.55 0.00 0.00 66.41 65.50 2nuu h THR 165 Cb 0.28 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.57 2nuu h THR 165 CO -0.36 0.00 0.53 0.58 -0.25 0.00 0.00 175.52 176.02 2nuu h VAL 166 N -0.80 0.47 0.00 6.82 2.07 -1.90 -2.01 116.25 120.91 2nuu h VAL 166 Ca 0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2nuu h VAL 166 Cb 0.13 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2nuu h VAL 166 CO 0.00 0.09 -1.03 0.52 0.02 0.00 0.00 177.57 177.17 2nuu n VAL 167 N -4.97 1.45 0.16 2.57 0.31 0.10 -4.59 118.33 113.36 2nuu n VAL 167 Ca 0.26 0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.64 2nuu n VAL 167 Cb 0.76 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.87 -0.42 -0.75 3.52 3.86 -1.18 -2.56 115.15 116.75 2nuu h HIS 168 Ca -0.07 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2nuu h HIS 168 Cb 0.94 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 2nuu h HIS 168 CO -0.34 -0.26 0.29 0.82 0.86 0.00 0.00 177.93 179.30 2nuu h ILE 169 N -0.93 1.26 -0.36 2.45 2.04 -1.33 0.79 117.51 121.44 2nuu h ILE 169 Ca -0.05 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.04 2nuu h ILE 169 Cb 0.35 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2nuu h ILE 169 CO 0.08 0.33 0.07 -1.13 0.00 0.00 0.00 178.15 177.50 2nuu h ASN 170 N 1.09 0.02 0.04 1.72 -1.24 -1.50 -2.24 115.58 113.47 2nuu h ASN 170 Ca 0.25 0.06 -0.21 0.00 0.71 0.00 0.00 56.30 57.10 2nuu h ASN 170 Cb 0.23 0.08 0.02 0.00 0.73 0.00 0.00 38.32 39.38 2nuu h ASN 170 CO -0.02 0.05 -0.85 0.00 -1.29 0.00 0.00 177.43 175.32 2nuu h ALA 171 N 1.26 0.05 -0.96 1.57 0.00 -1.22 -3.16 119.26 116.81 2nuu h ALA 171 Ca 0.17 -0.65 0.12 0.00 0.00 0.00 0.00 54.91 54.55 2nuu h ALA 171 Cb 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2nuu h ALA 171 CO -0.22 0.50 0.59 0.00 0.00 0.00 0.00 179.25 180.12 2nuu h ALA 172 N 0.31 1.45 -0.20 0.00 0.00 -0.75 0.60 119.26 120.67 2nuu h ALA 172 Ca -0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2nuu h ALA 172 Cb 1.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2nuu h ALA 172 CO 0.17 0.17 -0.24 0.82 0.00 0.00 0.00 179.25 180.16 2nuu h ILE 173 N 0.92 1.33 -0.95 0.00 1.08 -1.50 -0.43 117.51 117.96 2nuu h ILE 173 Ca 0.48 -1.44 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 2nuu h ILE 173 Cb 0.50 1.81 -0.06 0.00 -3.07 0.00 0.00 36.82 36.00 2nuu h ILE 173 CO -0.28 0.44 0.61 0.00 -0.69 0.00 0.00 178.15 178.23 2nuu h ALA 174 N 0.63 1.30 0.11 1.87 0.00 -1.36 -0.33 119.26 121.47 2nuu h ALA 174 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 174 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2nuu h ALA 174 CO 0.06 0.40 -0.05 0.78 0.00 0.00 0.00 179.25 180.43 2nuu h GLY 175 N 1.11 -0.16 0.59 0.00 0.00 -0.75 -2.04 103.07 101.84 2nuu h GLY 175 Ca 0.40 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.83 2nuu h GLY 175 CO -0.16 -0.06 -0.05 -2.00 0.00 0.00 0.00 176.54 174.27 2nuu h LEU 176 N -0.29 -0.19 -0.68 3.11 6.46 -0.37 -0.42 115.31 122.93 2nuu h LEU 176 Ca -0.02 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2nuu h LEU 176 Cb 0.24 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2nuu h LEU 176 CO 0.03 -0.07 0.40 0.58 -0.62 0.00 0.00 178.44 178.76 2nuu h VAL 177 N -0.01 1.20 -0.19 1.05 2.07 -1.09 -0.96 116.25 118.33 2nuu h VAL 177 Ca 0.10 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2nuu h VAL 177 Cb 0.15 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2nuu h VAL 177 CO -0.21 0.21 0.08 1.23 0.02 0.00 0.00 177.57 178.90 2nuu h GLY 178 N 0.92 0.30 1.13 2.17 0.00 -1.03 -1.14 103.07 105.43 2nuu h GLY 178 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2nuu h GLY 178 CO -0.04 0.15 0.46 0.00 0.00 0.00 0.00 176.54 177.11 2nuu h ALA 179 N 0.92 1.25 -0.18 3.60 0.00 -0.94 -1.51 119.26 122.41 2nuu h ALA 179 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2nuu h ALA 179 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2nuu h ALA 179 CO -0.01 0.61 0.00 -0.92 0.00 0.00 0.00 179.25 178.94 2nuu h TYR 180 N 1.15 0.34 -0.42 0.00 3.20 -0.93 -2.87 116.97 117.44 2nuu h TYR 180 Ca 0.29 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2nuu h TYR 180 Cb 0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2nuu h TYR 180 CO 0.01 0.51 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.90 2nuu h LEU 181 N 0.07 0.79 -1.16 2.82 3.38 -0.99 -3.19 115.31 117.03 2nuu h LEU 181 Ca 0.05 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2nuu h LEU 181 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2nuu h LEU 181 CO 0.01 0.95 -0.26 0.16 0.09 0.00 0.00 178.44 179.39 2nuu h ILE 182 N 0.62 1.24 0.00 1.22 3.07 -1.35 -3.49 117.51 118.82 2nuu h ILE 182 Ca 0.11 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.37 2nuu h ILE 182 Cb 0.59 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2nuu h ILE 182 CO 0.04 0.35 0.00 0.61 -1.05 0.00 0.00 178.15 178.09 2nuu n GLY 183 N -0.53 0.89 3.77 0.16 0.00 -1.08 -4.96 105.19 103.43 2nuu n GLY 183 Ca -0.01 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.06 3.75 0.47 1.61 1.02 -1.26 -4.84 119.74 118.42 2nuu s LYS 184 Ca 0.00 1.86 -0.24 0.00 0.02 0.00 0.00 55.97 57.61 2nuu s LYS 184 Cb 0.00 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 2nuu s LYS 184 CO 0.00 -0.59 1.31 1.03 -0.92 0.00 0.00 175.35 176.18 2nuu s ARG 185 N -2.63 3.62 0.23 1.68 0.52 -1.26 -4.94 118.95 116.17 2nuu s ARG 185 Ca 0.63 2.13 -0.30 0.00 -0.52 0.00 0.00 55.73 57.67 2nuu s ARG 185 Cb -0.31 -2.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 2nuu s ARG 185 CO 0.38 -0.77 1.38 0.54 0.02 0.00 0.00 175.30 176.85 2nuu s VAL 186 N -1.33 2.91 0.00 3.52 0.11 -1.26 -2.69 120.40 121.66 2nuu s VAL 186 Ca 0.63 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 2nuu s VAL 186 Cb -0.37 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2nuu s VAL 186 CO 0.46 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 2nuu n GLY 187 N 2.25 0.83 3.51 6.54 0.00 -1.26 -5.00 105.19 112.07 2nuu n GLY 187 Ca 0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.32 1.21 0.00 1.61 7.35 -1.10 -2.00 117.46 122.21 2nuu n PHE 188 Ca 0.00 -0.70 0.00 0.00 -0.76 0.00 0.00 57.45 55.99 2nuu n PHE 188 Cb 0.00 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 37.73 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 5.63 3.41 0.06 7.13 0.00 -1.26 -4.97 105.19 115.19 2nuu n GLY 189 Ca 0.44 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2nuu n GLY 189 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nuu n LYS 190 N 0.00 0.96 -3.95 1.61 2.85 -1.09 -5.00 118.16 113.52 2nuu n LYS 190 Ca 0.00 -0.06 -0.24 0.00 -1.05 0.00 0.00 58.31 56.95 2nuu n LYS 190 Cb 0.00 -1.45 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 2nuu n LYS 190 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2nuu s GLU 191 N -2.72 3.44 0.14 -1.58 2.12 -0.85 -5.10 118.70 114.15 2nuu s GLU 191 Ca -0.08 -0.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.41 2nuu s GLU 191 Cb 0.08 -2.94 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 2nuu s GLU 191 CO 0.74 0.49 0.63 0.00 -0.54 0.00 0.00 175.26 176.58 2nuu s ALA 192 N -1.82 3.52 -0.43 6.30 0.00 -1.26 -4.85 121.76 123.22 2nuu s ALA 192 Ca 0.34 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.47 2nuu s ALA 192 Cb -0.10 -2.70 0.39 0.00 0.00 0.00 0.00 23.12 20.71 2nuu s ALA 192 CO 0.29 0.38 0.95 1.19 0.00 0.00 0.00 175.76 178.56 2nuu n PHE 193 N 1.20 2.33 -2.59 0.00 3.01 -1.26 -5.10 117.46 115.05 2nuu n PHE 193 Ca -0.06 -3.43 -0.36 0.00 1.01 0.00 0.00 57.45 54.61 2nuu n PHE 193 Cb 0.51 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 2nuu n PHE 193 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2nuu s LYS 194 N -3.18 4.15 0.30 -1.08 1.02 -1.26 -4.96 119.74 114.73 2nuu s LYS 194 Ca 0.42 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 2nuu s LYS 194 Cb 0.37 -2.45 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 2nuu s LYS 194 CO -0.10 -0.14 1.51 -2.30 -0.92 0.00 0.00 175.35 173.41 2nuu n PRO 195 N -0.22 2.51 0.10 -1.68 -0.02 -1.24 -4.35 135.00 130.10 2nuu n PRO 195 Ca 0.06 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.43 2nuu n PRO 195 Cb 0.51 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 2nuu n PRO 195 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2nuu h HIS 196 N 4.19 0.00 -2.27 6.00 2.07 -1.02 -3.42 115.15 120.69 2nuu h HIS 196 Ca -0.47 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 56.57 2nuu h HIS 196 Cb 1.24 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 30.87 2nuu h HIS 196 CO 0.56 0.58 -0.78 1.21 -3.07 0.00 0.00 177.93 176.43 2nuu s ASN 197 N -6.27 2.01 0.21 3.10 3.84 -1.10 -4.95 114.94 111.77 2nuu s ASN 197 Ca 0.01 -1.99 -0.03 0.00 0.21 0.00 0.00 52.86 51.06 2nuu s ASN 197 Cb 0.08 0.05 0.16 0.00 -0.55 0.00 0.00 41.25 41.00 2nuu s ASN 197 CO 0.77 -0.27 1.57 -0.07 -2.79 0.00 0.00 177.10 176.31 2nuu h LEU 198 N 6.90 0.69 -1.63 3.21 3.38 -1.83 -2.23 115.31 123.80 2nuu h LEU 198 Ca 0.07 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2nuu h LEU 198 Cb 1.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2nuu h LEU 198 CO 0.24 1.00 0.06 -0.65 0.09 0.00 0.00 178.44 179.18 2nuu h PRO 199 N 0.54 0.30 -0.66 1.13 0.11 -1.96 -1.38 132.00 130.08 2nuu h PRO 199 Ca 0.05 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 2nuu h PRO 199 Cb 0.91 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2nuu h PRO 199 CO 0.08 0.28 0.13 1.98 -0.21 0.00 0.00 178.00 180.26 2nuu h MET 200 N 0.30 1.07 -0.22 1.05 4.05 -1.82 -1.63 114.93 117.73 2nuu h MET 200 Ca 0.08 -0.27 0.01 0.00 -0.28 0.00 0.00 59.70 59.24 2nuu h MET 200 Cb 0.11 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 2nuu h MET 200 CO -0.00 0.97 0.11 0.28 0.23 0.00 0.00 176.91 178.50 2nuu h VAL 201 N 1.01 1.00 -0.29 -5.77 2.07 -0.75 -1.74 116.25 111.79 2nuu h VAL 201 Ca 0.21 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2nuu h VAL 201 Cb 0.40 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2nuu h VAL 201 CO 0.01 0.04 0.09 0.15 0.02 0.00 0.00 177.57 177.88 2nuu h PHE 202 N 0.24 0.16 -0.68 1.57 3.57 -1.03 -0.52 116.94 120.26 2nuu h PHE 202 Ca 0.09 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.67 2nuu h PHE 202 Cb 0.02 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 2nuu h PHE 202 CO -0.09 0.07 0.36 1.15 -2.23 0.00 0.00 178.31 177.57 2nuu h THR 203 N 0.22 0.94 -0.30 4.41 2.02 -1.03 0.89 112.91 120.05 2nuu h THR 203 Ca 0.13 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2nuu h THR 203 Cb 0.10 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2nuu h THR 203 CO -0.14 0.12 0.11 1.23 0.37 0.00 0.00 175.52 177.22 2nuu h GLY 204 N 0.66 0.48 0.71 2.16 0.00 -0.79 -1.87 103.07 104.41 2nuu h GLY 204 Ca 0.31 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.44 2nuu h GLY 204 CO -0.20 0.25 0.58 -0.84 0.00 0.00 0.00 176.54 176.32 2nuu h THR 205 N 0.33 1.05 -0.38 4.70 2.02 -0.40 -0.42 112.91 119.81 2nuu h THR 205 Ca 0.10 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2nuu h THR 205 Cb 0.19 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2nuu h THR 205 CO -0.01 0.19 -0.05 0.00 0.37 0.00 0.00 175.52 176.02 2nuu h ALA 206 N 1.43 0.52 -0.59 6.16 0.00 -0.61 -0.79 119.26 125.38 2nuu h ALA 206 Ca 0.40 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2nuu h ALA 206 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2nuu h ALA 206 CO -0.18 0.34 0.18 0.82 0.00 0.00 0.00 179.25 180.41 2nuu h ILE 207 N 0.51 1.23 -0.38 0.00 2.04 -0.80 -0.37 117.51 119.75 2nuu h ILE 207 Ca 0.10 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2nuu h ILE 207 Cb 0.55 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2nuu h ILE 207 CO 0.03 0.30 0.07 -0.07 0.00 0.00 0.00 178.15 178.49 2nuu h LEU 208 N 0.87 0.59 0.82 1.44 3.38 -0.83 -0.58 115.31 120.99 2nuu h LEU 208 Ca 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2nuu h LEU 208 Cb 0.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2nuu h LEU 208 CO -0.01 0.68 -0.46 0.22 0.09 0.00 0.00 178.44 178.97 2nuu h TYR 209 N 0.46 -1.22 -0.34 1.13 3.20 -0.58 0.36 116.97 119.99 2nuu h TYR 209 Ca 0.12 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.04 2nuu h TYR 209 Cb 0.34 0.42 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 2nuu h TYR 209 CO 0.02 -0.71 -0.23 0.82 -1.64 0.00 0.00 178.16 176.42 2nuu h ILE 210 N -1.18 0.38 -0.07 1.81 1.08 -1.07 -1.17 117.51 117.29 2nuu h ILE 210 Ca -0.11 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 2nuu h ILE 210 Cb 0.93 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2nuu h ILE 210 CO 0.14 0.00 0.05 1.23 -0.69 0.00 0.00 178.15 178.88 2nuu h GLY 211 N -0.19 0.04 2.00 5.37 0.00 -1.00 -2.16 103.07 107.13 2nuu h GLY 211 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2nuu h GLY 211 CO -0.45 0.01 0.00 1.87 0.00 0.00 0.00 176.54 177.97 2nuu n TRP 212 N -4.52 0.47 0.01 5.60 -0.00 0.11 -1.75 117.44 117.35 2nuu n TRP 212 Ca -0.01 0.23 -0.16 0.00 -0.00 0.00 0.00 57.50 57.55 2nuu n TRP 212 Cb 0.14 -0.87 -0.06 0.00 -0.00 0.00 0.00 31.31 30.52 2nuu n TRP 212 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2nuu h PHE 213 N 0.00 0.96 -0.26 5.87 0.04 -1.43 0.15 116.94 122.27 2nuu h PHE 213 Ca 0.00 -0.45 -0.14 0.00 2.80 0.00 0.00 57.97 60.18 2nuu h PHE 213 Cb 0.09 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2nuu h PHE 213 CO 0.00 1.27 -0.42 0.78 -0.60 0.00 0.00 178.31 179.35 2nuu h GLY 214 N 0.69 0.69 0.94 -1.45 0.00 -1.53 -0.46 103.07 101.95 2nuu h GLY 214 Ca -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 2nuu h GLY 214 CO 0.16 0.63 -0.45 -2.75 0.00 0.00 0.00 176.54 174.14 2nuu h PHE 215 N 0.52 -1.17 0.25 5.60 3.57 -1.38 -0.25 116.94 124.07 2nuu h PHE 215 Ca 0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2nuu h PHE 215 Cb 0.94 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2nuu h PHE 215 CO 0.04 -0.73 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.36 2nuu h ASN 216 N -1.32 -0.28 -0.25 0.41 2.35 -0.73 -3.15 115.58 112.61 2nuu h ASN 216 Ca -0.13 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.24 2nuu h ASN 216 Cb 0.97 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 2nuu h ASN 216 CO 0.21 0.20 -0.32 0.00 -1.65 0.00 0.00 177.43 175.87 2nuu h ALA 217 N -0.43 0.78 0.00 -0.83 0.00 -1.23 -2.85 119.26 114.71 2nuu h ALA 217 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2nuu h ALA 217 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nuu h ALA 217 CO 0.06 0.65 -0.00 0.78 0.00 0.00 0.00 179.25 180.73 2nuu h GLY 218 N 0.94 0.00 1.25 0.00 0.00 -1.09 -1.63 103.07 102.54 2nuu h GLY 218 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2nuu h GLY 218 CO 0.07 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.05 2nuu n SER 219 N -3.11 0.00 0.11 0.19 7.64 -1.07 -0.67 113.62 116.70 2nuu n SER 219 Ca -0.02 -0.24 0.12 0.00 1.01 0.00 0.00 58.87 59.74 2nuu n SER 219 Cb 0.16 -0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 2.85 0.55 0.00 -0.43 0.00 -1.47 -3.48 119.26 117.28 2nuu h ALA 220 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 220 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2nuu h ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2nuu n GLY 221 N 1.19 0.32 3.55 0.00 0.00 0.16 -4.95 105.19 105.45 2nuu n GLY 221 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.69 0.00 -1.44 2.61 -1.32 -1.26 -4.78 115.64 107.75 2nuu s THR 222 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 2nuu s THR 222 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2nuu s THR 222 CO 0.00 0.00 2.29 0.00 -2.21 0.00 0.00 174.62 174.70 2nuu n ALA 223 N 0.73 5.94 -3.04 11.08 0.00 -1.26 -4.48 120.51 129.48 2nuu n ALA 223 Ca -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.38 2nuu n ALA 223 Cb 0.58 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 4.94 1.44 0.19 0.00 6.94 -1.26 -5.01 115.26 122.50 2nuu n ASN 224 Ca 0.55 -0.32 0.05 0.00 -0.02 0.00 0.00 54.58 54.84 2nuu n ASN 224 Cb 0.35 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.10 2nuu n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2nuu h GLU 225 N 0.00 0.00 -0.29 -3.83 9.09 -1.99 -2.55 114.58 115.01 2nuu h GLU 225 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2nuu h GLU 225 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2nuu h GLU 225 CO 0.00 0.38 -0.34 0.82 0.05 0.00 0.00 179.01 179.92 2nuu h ILE 226 N 0.00 1.30 -0.55 -1.06 1.08 -1.95 -0.72 117.51 115.61 2nuu h ILE 226 Ca -0.00 -1.52 -0.05 0.00 -0.39 0.00 0.00 64.86 62.90 2nuu h ILE 226 Cb 0.89 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 2nuu h ILE 226 CO 0.05 0.49 0.14 0.00 -0.69 0.00 0.00 178.15 178.14 2nuu h ALA 227 N 0.70 1.21 -0.50 1.87 0.00 -1.76 -0.86 119.26 119.91 2nuu h ALA 227 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2nuu h ALA 227 Cb 0.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2nuu h ALA 227 CO 0.08 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 2nuu h ALA 228 N 1.34 0.94 -0.06 0.00 0.00 -1.23 -0.36 119.26 119.90 2nuu h ALA 228 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2nuu h ALA 228 Cb 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 228 CO -0.00 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.12 2nuu h LEU 229 N 0.81 0.10 -1.63 0.00 5.85 -0.64 -2.08 115.31 117.73 2nuu h LEU 229 Ca 0.14 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2nuu h LEU 229 Cb 0.58 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2nuu h LEU 229 CO 0.03 0.38 0.11 0.00 -0.34 0.00 0.00 178.44 178.63 2nuu h ALA 230 N 0.72 1.71 0.01 1.25 0.00 -1.05 -0.56 119.26 121.35 2nuu h ALA 230 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2nuu h ALA 230 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nuu h ALA 230 CO 0.00 0.24 -0.00 0.35 0.00 0.00 0.00 179.25 179.84 2nuu h PHE 231 N 0.36 -0.01 -0.82 0.00 3.04 -0.92 -2.08 116.94 116.52 2nuu h PHE 231 Ca 0.09 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 2nuu h PHE 231 Cb 0.07 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2nuu h PHE 231 CO 0.00 0.50 0.37 0.28 -2.02 0.00 0.00 178.31 177.44 2nuu h VAL 232 N -0.52 1.26 -0.07 1.41 2.07 -1.08 -2.46 116.25 116.87 2nuu h VAL 232 Ca -0.00 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2nuu h VAL 232 Cb 0.51 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2nuu h VAL 232 CO 0.00 0.32 -0.33 0.78 0.02 0.00 0.00 177.57 178.36 2nuu h ASN 233 N 1.17 0.13 -0.43 0.57 2.35 -1.13 -1.73 115.58 116.51 2nuu h ASN 233 Ca 0.28 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2nuu h ASN 233 Cb 0.14 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2nuu h ASN 233 CO -0.03 0.46 0.03 0.74 -1.65 0.00 0.00 177.43 176.98 2nuu h THR 234 N 0.11 1.25 -0.39 2.81 2.02 -0.93 -1.31 112.91 116.48 2nuu h THR 234 Ca 0.01 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 2nuu h THR 234 Cb 0.64 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2nuu h THR 234 CO 0.05 0.34 0.18 0.58 0.37 0.00 0.00 175.52 177.03 2nuu h VAL 235 N 0.59 1.18 -0.01 3.16 2.07 -1.06 -2.91 116.25 119.27 2nuu h VAL 235 Ca 0.13 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2nuu h VAL 235 Cb 0.44 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2nuu h VAL 235 CO 0.02 0.19 -0.00 0.58 0.02 0.00 0.00 177.57 178.38 2nuu h VAL 236 N 0.49 1.34 -0.58 2.57 2.07 -1.22 -2.91 116.25 118.02 2nuu h VAL 236 Ca 0.13 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2nuu h VAL 236 Cb 0.14 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2nuu h VAL 236 CO -0.02 0.27 0.25 0.00 0.02 0.00 0.00 177.57 178.09 2nuu h ALA 237 N 0.57 1.36 -0.07 1.67 0.00 -1.32 -1.57 119.26 119.91 2nuu h ALA 237 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2nuu h ALA 237 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2nuu h ALA 237 CO 0.00 0.49 -0.02 1.15 0.00 0.00 0.00 179.25 180.87 2nuu h THR 238 N 0.82 1.30 -0.55 0.00 2.02 -1.58 -1.54 112.91 113.37 2nuu h THR 238 Ca 0.20 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2nuu h THR 238 Cb 0.12 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2nuu h THR 238 CO -0.02 0.26 0.35 0.00 0.37 0.00 0.00 175.52 176.48 2nuu h ALA 239 N 0.66 0.71 -0.44 6.16 0.00 -1.38 -1.16 119.26 123.80 2nuu h ALA 239 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2nuu h ALA 239 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2nuu h ALA 239 CO 0.01 0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.49 2nuu h ALA 240 N 1.22 1.40 -0.18 0.00 0.00 -1.25 -2.00 119.26 118.45 2nuu h ALA 240 Ca 0.21 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2nuu h ALA 240 Cb -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nuu h ALA 240 CO -0.07 0.44 -0.74 0.00 0.00 0.00 0.00 179.25 178.88 2nuu h ALA 241 N 1.51 0.34 -0.15 0.00 0.00 -0.77 0.16 119.26 120.35 2nuu h ALA 241 Ca 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2nuu h ALA 241 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2nuu h ALA 241 CO -0.01 0.68 0.07 0.82 0.00 0.00 0.00 179.25 180.81 2nuu h ILE 242 N 0.56 0.99 -0.32 0.00 2.04 -1.02 0.15 117.51 119.92 2nuu h ILE 242 Ca -0.04 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2nuu h ILE 242 Cb 1.37 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2nuu h ILE 242 CO 0.15 0.03 0.11 -0.07 0.00 0.00 0.00 178.15 178.37 2nuu h LEU 243 N 0.15 0.46 0.20 1.44 3.38 -1.34 0.14 115.31 119.75 2nuu h LEU 243 Ca 0.06 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2nuu h LEU 243 Cb 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2nuu h LEU 243 CO -0.04 0.54 -0.27 1.23 0.09 0.00 0.00 178.44 179.98 2nuu h GLY 244 N 0.36 -0.56 0.83 0.83 0.00 -0.32 -1.53 103.07 102.67 2nuu h GLY 244 Ca 0.10 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2nuu h GLY 244 CO -0.00 -0.24 -0.28 -0.25 0.00 0.00 0.00 176.54 175.77 2nuu h TRP 245 N -0.53 -0.74 -0.69 5.60 2.91 -0.62 -1.50 115.95 120.37 2nuu h TRP 245 Ca 0.01 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.17 2nuu h TRP 245 Cb 0.52 0.27 -0.11 0.00 -0.51 0.00 0.00 29.16 29.33 2nuu h TRP 245 CO -0.21 -0.43 0.11 0.82 -1.03 0.00 0.00 178.44 177.71 2nuu h ILE 246 N -0.68 0.51 0.00 2.65 1.08 -0.57 0.34 117.51 120.84 2nuu h ILE 246 Ca -0.04 -0.07 -0.09 0.00 -0.39 0.00 0.00 64.86 64.27 2nuu h ILE 246 Cb 0.57 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2nuu h ILE 246 CO 0.02 0.04 -0.43 -0.26 -0.69 0.00 0.00 178.15 176.84 2nuu h PHE 247 N 0.21 0.00 0.33 1.37 0.04 -1.24 -0.10 116.94 117.56 2nuu h PHE 247 Ca 0.38 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.13 2nuu h PHE 247 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 2nuu h PHE 247 CO -0.30 0.43 -0.16 0.78 -0.60 0.00 0.00 178.31 178.46 2nuu h GLY 248 N 3.33 -0.47 0.45 -1.45 0.00 -0.14 -1.57 103.07 103.22 2nuu h GLY 248 Ca -0.00 0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.61 2nuu h GLY 248 CO 0.06 -0.17 0.45 -2.09 0.00 0.00 0.00 176.54 174.79 2nuu h GLU 249 N -1.01 0.71 -0.50 4.80 4.81 -0.42 -0.92 114.58 122.06 2nuu h GLU 249 Ca -0.05 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2nuu h GLU 249 Cb 0.49 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2nuu h GLU 249 CO 0.08 0.47 0.17 2.35 -0.73 0.00 0.00 179.01 181.35 2nuu h TRP 250 N 0.74 0.78 -0.30 0.92 2.91 -1.02 0.22 115.95 120.19 2nuu h TRP 250 Ca 0.41 -0.07 -0.18 0.00 1.13 0.00 0.00 58.89 60.18 2nuu h TRP 250 Cb 0.44 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 2nuu h TRP 250 CO -0.07 0.67 -0.51 0.00 -1.03 0.00 0.00 178.44 177.50 2nuu h ALA 251 N 1.03 0.51 0.19 2.65 0.00 -0.70 -1.82 119.26 121.12 2nuu h ALA 251 Ca 0.16 -0.50 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 2nuu h ALA 251 Cb 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2nuu h ALA 251 CO -0.01 0.68 -1.43 -0.07 0.00 0.00 0.00 179.25 178.42 2nuu h LEU 252 N 0.68 0.64 -2.20 0.00 4.07 -1.14 -3.39 115.31 113.97 2nuu h LEU 252 Ca 0.02 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.27 2nuu h LEU 252 Cb 1.11 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2nuu h LEU 252 CO 0.12 1.57 0.00 0.54 -1.08 0.00 0.00 178.44 179.59 2nuu n ARG 253 N -3.61 1.61 0.00 1.13 1.74 0.77 -5.02 116.66 113.27 2nuu n ARG 253 Ca -0.15 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 2nuu n ARG 253 Cb 1.07 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 2nuu n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nuu n GLY 254 N 0.21 2.85 2.98 -0.13 0.00 -0.68 -4.98 105.19 105.44 2nuu n GLY 254 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2nuu n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 255 N -0.04 0.68 -0.22 1.61 1.02 -1.25 -4.93 119.74 116.61 2nuu s LYS 255 Ca 0.00 -0.24 -0.28 0.00 0.02 0.00 0.00 55.97 55.47 2nuu s LYS 255 Cb 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 2nuu s LYS 255 CO 0.00 0.12 0.99 -1.25 -0.92 0.00 0.00 175.35 174.28 2nuu s PRO 256 N 0.04 4.26 0.20 -1.68 0.04 -1.26 -4.08 135.00 132.51 2nuu s PRO 256 Ca -0.00 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.36 2nuu s PRO 256 Cb -0.05 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2nuu s PRO 256 CO -0.00 -0.58 0.20 -1.54 0.04 0.00 0.00 177.00 175.12 2nuu s SER 257 N 1.22 5.73 0.08 6.66 1.04 -1.26 -5.02 113.70 122.15 2nuu s SER 257 Ca 0.42 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.56 2nuu s SER 257 Cb -0.15 -1.55 -0.10 0.00 0.10 0.00 0.00 66.02 64.32 2nuu s SER 257 CO 0.07 0.02 1.53 0.25 0.98 0.00 0.00 173.24 176.09 2nuu h LEU 258 N 1.96 0.34 -1.42 2.42 5.85 -1.99 0.11 115.31 122.58 2nuu h LEU 258 Ca -0.48 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.02 2nuu h LEU 258 Cb 1.21 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2nuu h LEU 258 CO 0.63 0.54 0.45 0.25 -0.34 0.00 0.00 178.44 179.97 2nuu h LEU 259 N 0.13 0.62 -0.09 2.25 5.85 -1.95 -0.00 115.31 122.11 2nuu h LEU 259 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2nuu h LEU 259 Cb 0.35 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2nuu h LEU 259 CO 0.01 0.40 0.02 1.23 -0.34 0.00 0.00 178.44 179.76 2nuu h GLY 260 N 0.70 0.16 0.95 3.75 0.00 -1.77 0.42 103.07 107.29 2nuu h GLY 260 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.54 2nuu h GLY 260 CO -0.10 0.10 0.29 0.00 0.00 0.00 0.00 176.54 176.83 2nuu h ALA 261 N 0.80 0.58 -0.52 3.60 0.00 0.11 0.90 119.26 124.72 2nuu h ALA 261 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2nuu h ALA 261 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2nuu h ALA 261 CO 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 179.25 179.43 2nuu h SER 263 N 0.71 0.94 -0.37 0.00 0.02 -0.50 -2.28 113.55 112.08 2nuu h SER 263 Ca 0.17 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2nuu h SER 263 Cb 0.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2nuu h SER 263 CO -0.01 0.82 0.17 1.23 -1.14 0.00 0.00 176.83 177.90 2nuu h GLY 264 N 1.08 0.57 0.10 -3.77 0.00 -0.47 -1.21 103.07 99.37 2nuu h GLY 264 Ca 0.24 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.36 2nuu h GLY 264 CO -0.02 0.27 -0.22 0.00 0.00 0.00 0.00 176.54 176.57 2nuu h ALA 265 N 1.02 -0.03 -0.45 3.60 0.00 -0.73 -1.82 119.26 120.84 2nuu h ALA 265 Ca 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2nuu h ALA 265 Cb 0.13 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2nuu h ALA 265 CO -0.02 -0.62 0.24 0.82 0.00 0.00 0.00 179.25 179.67 2nuu h ILE 266 N -0.19 1.17 -0.48 0.00 1.08 -1.23 -2.12 117.51 115.73 2nuu h ILE 266 Ca 0.16 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.24 2nuu h ILE 266 Cb 0.44 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 2nuu h ILE 266 CO -0.42 0.18 0.14 0.00 -0.69 0.00 0.00 178.15 177.36 2nuu h ALA 267 N 1.08 0.56 -0.63 1.87 0.00 -0.80 0.62 119.26 121.97 2nuu h ALA 267 Ca 0.16 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2nuu h ALA 267 Cb 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2nuu h ALA 267 CO -0.02 -0.26 0.17 0.78 0.00 0.00 0.00 179.25 179.91 2nuu h GLY 268 N 0.29 1.04 0.97 0.00 0.00 -1.18 0.22 103.07 104.41 2nuu h GLY 268 Ca 0.24 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2nuu h GLY 268 CO -0.27 0.58 -0.22 1.41 0.00 0.00 0.00 176.54 178.04 2nuu h LEU 269 N 0.93 0.75 -0.20 3.11 3.38 -0.87 -2.07 115.31 120.34 2nuu h LEU 269 Ca 0.20 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2nuu h LEU 269 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2nuu h LEU 269 CO -0.00 1.02 0.04 0.58 0.09 0.00 0.00 178.44 180.17 2nuu h VAL 270 N 0.48 1.21 -0.91 1.22 2.07 -0.64 -1.93 116.25 117.76 2nuu h VAL 270 Ca 0.06 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2nuu h VAL 270 Cb 0.77 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2nuu h VAL 270 CO 0.06 0.21 0.59 1.23 0.02 0.00 0.00 177.57 179.68 2nuu h GLY 271 N 0.13 1.29 1.42 2.17 0.00 -0.53 -2.87 103.07 104.68 2nuu h GLY 271 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2nuu h GLY 271 CO 0.00 0.48 -0.45 -0.24 0.00 0.00 0.00 176.54 176.34 2nuu h VAL 272 N 1.24 0.00 -0.64 4.60 3.04 -1.34 -3.38 116.25 119.77 2nuu h VAL 272 Ca 0.33 -0.53 0.13 0.00 -1.01 0.00 0.00 66.70 65.62 2nuu h VAL 272 Cb -0.12 1.24 -0.10 0.00 -2.01 0.00 0.00 31.29 30.29 2nuu h VAL 272 CO -0.07 0.00 0.04 0.74 -1.01 0.00 0.00 177.57 177.27 2nuu h THR 273 N 0.00 0.50 0.00 3.17 2.02 -1.11 0.85 112.91 118.35 2nuu h THR 273 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2nuu h THR 273 Cb 0.77 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2nuu h THR 273 CO 0.00 0.03 0.00 1.55 0.37 0.00 0.00 175.52 177.47 2nuu h PRO 274 N 0.15 0.00 0.07 6.66 0.13 -1.76 -0.63 132.00 136.63 2nuu h PRO 274 Ca 0.34 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.10 2nuu h PRO 274 Cb 0.55 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 2nuu h PRO 274 CO -0.52 0.00 -2.12 0.00 -0.23 0.00 0.00 178.00 175.13 2nuu n ALA 275 N -2.04 1.12 -0.17 -0.56 0.00 -0.12 -1.64 120.51 117.11 2nuu n ALA 275 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 53.44 52.76 2nuu n ALA 275 Cb 0.50 -0.52 0.12 0.00 0.00 0.00 0.00 19.45 19.56 2nuu n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nuu h GLY 277 N 0.00 0.00 0.00 0.00 0.00 -1.85 -3.29 103.07 97.93 2nuu h GLY 277 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2nuu h GLY 277 CO -0.46 0.00 -1.84 -1.72 0.00 0.00 0.00 176.54 172.52 2nuu n TYR 278 N -2.71 0.00 -3.64 5.60 4.01 0.99 -4.88 117.16 116.54 2nuu n TYR 278 Ca 0.05 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.58 2nuu n TYR 278 Cb 0.48 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -3.36 3.10 0.56 -0.72 -4.36 -1.00 -1.24 121.20 114.18 2nuu s ILE 279 Ca -0.06 -1.33 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 2nuu s ILE 279 Cb 0.13 -3.09 0.04 0.00 1.25 0.00 0.00 42.46 40.80 2nuu s ILE 279 CO 0.84 -0.08 0.78 -0.83 0.24 0.00 0.00 174.94 175.89 2nuu s GLY 280 N -4.09 1.83 0.36 6.27 0.00 -1.11 -4.83 107.32 105.75 2nuu s GLY 280 Ca 0.45 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.80 2nuu s GLY 280 CO 0.28 -1.12 1.95 -0.24 0.00 0.00 0.00 173.10 173.97 2nuu h VAL 281 N 0.05 1.00 0.03 1.40 3.04 -1.95 -1.95 116.25 117.88 2nuu h VAL 281 Ca -0.41 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2nuu h VAL 281 Cb 1.29 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2nuu h VAL 281 CO 0.50 0.14 -0.02 1.23 -1.01 0.00 0.00 177.57 178.41 2nuu h GLY 282 N 0.74 -0.05 1.35 3.17 0.00 -1.94 -2.35 103.07 104.00 2nuu h GLY 282 Ca 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2nuu h GLY 282 CO -0.11 -0.02 0.27 -1.33 0.00 0.00 0.00 176.54 175.35 2nuu h GLY 283 N -0.11 0.90 1.89 4.60 0.00 -1.72 -2.42 103.07 106.21 2nuu h GLY 283 Ca -0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 2nuu h GLY 283 CO 0.01 0.41 -0.17 0.00 0.00 0.00 0.00 176.54 176.78 2nuu h ALA 284 N 1.46 1.55 -0.06 3.60 0.00 -1.08 0.84 119.26 125.57 2nuu h ALA 284 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2nuu h ALA 284 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2nuu h ALA 284 CO -0.02 0.32 -0.32 1.25 0.00 0.00 0.00 179.25 180.48 2nuu h LEU 285 N 0.13 0.38 -0.22 0.00 6.46 -0.96 -1.89 115.31 119.21 2nuu h LEU 285 Ca 0.02 -0.66 -0.01 0.00 -0.12 0.00 0.00 57.88 57.11 2nuu h LEU 285 Cb 0.39 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2nuu h LEU 285 CO 0.03 0.98 0.10 0.40 -0.62 0.00 0.00 178.44 179.33 2nuu h ILE 286 N -0.19 1.15 -0.91 4.05 2.04 -1.21 -1.90 117.51 120.53 2nuu h ILE 286 Ca -0.02 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.45 2nuu h ILE 286 Cb 0.98 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 2nuu h ILE 286 CO 0.07 0.15 0.59 0.40 0.00 0.00 0.00 178.15 179.35 2nuu h ILE 287 N 0.22 1.07 0.39 -0.67 2.04 -0.89 -2.18 117.51 117.49 2nuu h ILE 287 Ca 0.08 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2nuu h ILE 287 Cb 0.15 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2nuu h ILE 287 CO -0.01 0.19 -0.19 1.23 0.00 0.00 0.00 178.15 179.37 2nuu h GLY 288 N 1.03 -0.54 0.41 5.37 0.00 -0.96 -0.24 103.07 108.14 2nuu h GLY 288 Ca 0.39 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.98 2nuu h GLY 288 CO -0.14 -0.20 -0.06 -2.08 0.00 0.00 0.00 176.54 174.06 2nuu h VAL 289 N -0.67 0.71 -0.66 4.60 2.07 -1.11 -0.72 116.25 120.46 2nuu h VAL 289 Ca -0.05 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2nuu h VAL 289 Cb 0.48 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2nuu h VAL 289 CO 0.09 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.58 2nuu h VAL 290 N 0.02 1.22 -0.64 2.57 2.07 -1.41 -2.04 116.25 118.04 2nuu h VAL 290 Ca 0.15 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2nuu h VAL 290 Cb 0.22 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2nuu h VAL 290 CO -0.30 0.26 0.27 0.00 0.02 0.00 0.00 177.57 177.82 2nuu h ALA 291 N 1.14 0.83 0.20 1.67 0.00 -0.51 0.11 119.26 122.71 2nuu h ALA 291 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nuu h ALA 291 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nuu h ALA 291 CO -0.03 0.44 -0.10 0.78 0.00 0.00 0.00 179.25 180.34 2nuu h GLY 292 N 0.90 -0.28 1.00 0.00 0.00 -0.95 -0.01 103.07 103.73 2nuu h GLY 292 Ca 0.22 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.66 2nuu h GLY 292 CO -0.02 -0.10 0.58 1.41 0.00 0.00 0.00 176.54 178.41 2nuu h LEU 293 N -0.34 1.00 -0.56 3.11 3.38 -1.25 -0.42 115.31 120.23 2nuu h LEU 293 Ca -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2nuu h LEU 293 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2nuu h LEU 293 CO 0.04 0.72 0.16 0.00 0.09 0.00 0.00 178.44 179.46 2nuu h ALA 294 N 1.33 0.73 -0.23 1.53 0.00 -0.58 -1.37 119.26 120.66 2nuu h ALA 294 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2nuu h ALA 294 Cb -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2nuu h ALA 294 CO -0.07 0.41 0.15 0.78 0.00 0.00 0.00 179.25 180.52 2nuu h GLY 295 N 0.79 0.33 0.25 0.00 0.00 -0.53 0.27 103.07 104.18 2nuu h GLY 295 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.46 2nuu h GLY 295 CO -0.00 0.13 -0.07 -2.00 0.00 0.00 0.00 176.54 174.60 2nuu h LEU 296 N 0.30 -0.31 -0.89 3.11 5.85 -0.71 -0.15 115.31 122.50 2nuu h LEU 296 Ca 0.08 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2nuu h LEU 296 Cb -0.01 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2nuu h LEU 296 CO -0.02 -0.11 0.23 -0.25 -0.34 0.00 0.00 178.44 177.95 2nuu h TRP 297 N 0.03 1.06 -0.71 1.25 7.01 -0.87 -2.60 115.95 121.12 2nuu h TRP 297 Ca 0.19 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2nuu h TRP 297 Cb 0.29 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 2nuu h TRP 297 CO -0.33 0.84 0.43 0.78 -2.79 0.00 0.00 178.44 177.37 2nuu h GLY 298 N 1.07 1.03 0.00 2.65 0.00 0.13 -0.18 103.07 107.77 2nuu h GLY 298 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2nuu h GLY 298 CO -0.01 0.41 -0.28 3.33 0.00 0.00 0.00 176.54 179.98 2nuu n VAL 299 N -4.39 0.00 0.00 4.60 0.24 -0.54 -2.44 118.33 115.79 2nuu n VAL 299 Ca 0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2nuu n VAL 299 Cb 0.07 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.51 0.00 0.08 3.34 -1.04 -0.90 -4.66 114.28 110.58 2nuu n THR 300 Ca 0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 2nuu n THR 300 Cb 0.37 -0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.28 -0.06 -2.82 2.07 -1.34 -3.22 114.93 109.84 2nuu h MET 301 Ca 0.00 -0.29 -0.20 0.00 -2.07 0.00 0.00 59.70 57.14 2nuu h MET 301 Cb 0.00 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 29.81 2nuu h MET 301 CO 0.00 1.00 -0.80 1.25 1.07 0.00 0.00 176.91 179.43 2nuu h LEU 302 N 0.16 0.51 -0.92 1.22 7.12 -1.33 -2.90 115.31 119.17 2nuu h LEU 302 Ca -0.05 -0.36 -0.08 0.00 0.13 0.00 0.00 57.88 57.52 2nuu h LEU 302 Cb 1.51 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.47 2nuu h LEU 302 CO 0.14 1.12 -0.05 0.50 -0.13 0.00 0.00 178.44 180.02 2nuu h LYS 303 N 0.27 0.74 -0.34 1.25 3.64 -1.57 -2.24 116.57 118.31 2nuu h LYS 303 Ca -0.05 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.01 2nuu h LYS 303 Cb 1.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2nuu h LYS 303 CO 0.14 0.78 -0.24 0.00 -2.27 0.00 0.00 179.45 177.86 2nuu h ARG 304 N 0.68 0.68 -0.46 1.90 2.47 -1.56 -2.43 114.38 115.65 2nuu h ARG 304 Ca 0.13 -0.27 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 2nuu h ARG 304 Cb 0.50 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2nuu h ARG 304 CO 0.03 0.86 -0.12 1.25 0.56 0.00 0.00 179.97 182.54 2nuu h LEU 305 N 0.59 0.85 0.00 3.04 5.85 -1.27 -3.15 115.31 121.22 2nuu h LEU 305 Ca 0.08 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2nuu h LEU 305 Cb 0.72 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2nuu h LEU 305 CO 0.06 0.98 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.63 2nuu h LEU 306 N 0.76 0.00 -1.76 2.25 3.38 -1.37 -3.48 115.31 115.10 2nuu h LEU 306 Ca 0.12 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 2nuu h LEU 306 Cb 0.63 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2nuu h LEU 306 CO 0.04 0.04 -0.89 0.54 0.09 0.00 0.00 178.44 178.26 2nuu n ARG 307 N -2.49 -2.87 -5.10 1.13 1.74 -0.92 -4.99 116.66 103.16 2nuu n ARG 307 Ca 0.03 0.35 -0.30 0.00 -0.77 0.00 0.00 57.85 57.15 2nuu n ARG 307 Cb 0.48 -4.50 -0.15 0.00 -1.02 0.00 0.00 32.46 27.27 2nuu n ARG 307 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nuu s VAL 308 N -3.88 2.08 -1.02 1.55 1.01 -1.26 -5.06 120.40 113.82 2nuu s VAL 308 Ca 0.17 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 2nuu s VAL 308 Cb -0.09 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.69 2nuu s VAL 308 CO 0.92 0.47 1.21 -0.62 0.00 0.00 0.00 175.10 177.07 2nuu s ASP 309 N -0.92 6.80 -0.73 3.32 2.15 -1.26 -4.93 116.67 121.10 2nuu s ASP 309 Ca 0.11 -2.43 -0.11 0.00 0.43 0.00 0.00 52.55 50.55 2nuu s ASP 309 Cb -0.10 -2.39 0.19 0.00 -0.30 0.00 0.00 42.92 40.33 2nuu s ASP 309 CO 0.01 -0.91 0.63 -0.62 -0.17 0.00 0.00 175.17 174.10 2nuu s ASP 310 N 3.23 6.20 0.37 -0.34 -1.08 -1.26 -4.85 116.67 118.95 2nuu s ASP 310 Ca 0.35 -2.63 0.04 0.00 -0.52 0.00 0.00 52.55 49.79 2nuu s ASP 310 Cb -0.05 -2.09 0.72 0.00 -1.46 0.00 0.00 42.92 40.04 2nuu s ASP 310 CO -0.06 -0.54 2.02 -0.65 0.52 0.00 0.00 175.17 176.46 2nuu h PRO 311 N 7.67 0.71 -0.64 4.34 0.11 -1.77 -1.33 132.00 141.09 2nuu h PRO 311 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2nuu h PRO 311 Cb 1.02 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2nuu h PRO 311 CO 0.77 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 179.03 2nuu n ASP 313 N 1.63 -1.40 -0.05 0.00 8.00 -0.50 -4.91 116.55 119.31 2nuu n ASP 313 Ca 0.23 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.72 2nuu n ASP 313 Cb 0.62 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.23 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 1.07 -0.09 2.53 2.07 -1.90 -2.86 116.25 115.22 2nuu h VAL 314 Ca -0.61 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 66.56 2nuu h VAL 314 Cb 1.37 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2nuu h VAL 314 CO 0.62 0.07 -0.79 0.15 0.02 0.00 0.00 177.57 177.64 2nuu h PHE 315 N 0.28 0.77 0.00 1.57 3.57 -1.91 -0.01 116.94 121.21 2nuu h PHE 315 Ca 0.08 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 2nuu h PHE 315 Cb -0.01 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 2nuu h PHE 315 CO -0.06 1.15 -0.08 0.78 -2.23 0.00 0.00 178.31 177.87 2nuu h GLY 316 N 0.98 0.00 0.00 2.40 0.00 -1.80 -0.88 103.07 103.77 2nuu h GLY 316 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2nuu h GLY 316 CO 0.15 0.00 -1.21 -0.62 0.00 0.00 0.00 176.54 174.86 2nuu n VAL 317 N -3.67 1.38 0.09 4.60 0.31 -1.08 -4.31 118.33 115.65 2nuu n VAL 317 Ca -0.02 0.05 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2nuu n VAL 317 Cb 0.19 -2.09 0.01 0.00 -0.91 0.00 0.00 33.84 31.04 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 -0.80 0.00 0.00 3.52 3.86 -1.10 -2.14 115.15 118.49 2nuu h HIS 318 Ca -0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 2nuu h HIS 318 Cb 1.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 2nuu h HIS 318 CO -0.27 0.82 -0.08 0.78 0.86 0.00 0.00 177.93 180.04 2nuu h GLY 319 N 2.53 0.00 0.92 2.45 0.00 -1.25 -2.49 103.07 105.23 2nuu h GLY 319 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2nuu h GLY 319 CO 0.11 0.00 0.07 -2.08 0.00 0.00 0.00 176.54 174.64 2nuu h VAL 320 N -1.00 1.11 -0.03 4.60 2.07 -1.43 -1.76 116.25 119.82 2nuu h VAL 320 Ca -0.02 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2nuu h VAL 320 Cb 0.55 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2nuu h VAL 320 CO -0.01 0.10 -0.65 0.00 0.02 0.00 0.00 177.57 177.03 2nuu h GLY 322 N 1.72 0.06 0.65 0.00 0.00 -1.37 0.95 103.07 105.08 2nuu h GLY 322 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2nuu h GLY 322 CO 0.09 0.04 -0.03 -2.22 0.00 0.00 0.00 176.54 174.43 2nuu h ILE 323 N -0.25 0.83 -0.40 2.60 2.04 -1.32 -0.93 117.51 120.08 2nuu h ILE 323 Ca 0.01 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2nuu h ILE 323 Cb 0.34 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2nuu h ILE 323 CO 0.00 0.01 0.06 0.58 0.00 0.00 0.00 178.15 178.80 2nuu h VAL 324 N 0.03 0.77 -0.35 1.67 2.07 -1.35 -1.82 116.25 117.28 2nuu h VAL 324 Ca 0.09 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2nuu h VAL 324 Cb 0.13 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2nuu h VAL 324 CO -0.18 0.03 0.22 1.23 0.02 0.00 0.00 177.57 178.89 2nuu h GLY 325 N 0.18 0.50 2.00 2.17 0.00 -0.30 -0.31 103.07 107.31 2nuu h GLY 325 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2nuu h GLY 325 CO -0.27 0.19 -0.27 0.00 0.00 0.00 0.00 176.54 176.19 2nuu h ILE 327 N 0.00 1.51 0.00 0.00 2.04 -1.03 -3.29 117.51 116.75 2nuu h ILE 327 Ca -0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.48 2nuu h ILE 327 Cb 0.47 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2nuu h ILE 327 CO 0.03 0.67 0.00 0.24 0.00 0.00 0.00 178.15 179.10 2nuu h MET 328 N -0.35 0.00 -0.13 2.37 2.86 -0.91 -2.39 114.93 116.39 2nuu h MET 328 Ca -0.11 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 2nuu h MET 328 Cb 1.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 2nuu h MET 328 CO 0.13 0.00 -0.65 1.15 1.06 0.00 0.00 176.91 178.60 2nuu h THR 329 N 0.00 1.34 0.00 2.22 2.02 -1.27 -0.87 112.91 116.36 2nuu h THR 329 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2nuu h THR 329 Cb 0.44 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2nuu h THR 329 CO 0.00 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.10 2nuu n GLY 330 N 0.42 -0.93 0.52 2.16 0.00 -0.90 -2.47 105.19 104.00 2nuu n GLY 330 Ca -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.27 1.15 1.16 -0.61 5.41 -1.03 -4.51 119.36 119.67 2nuu n ILE 331 Ca 0.10 0.06 0.11 0.00 1.00 0.00 0.00 62.75 64.02 2nuu n ILE 331 Cb 0.15 -1.88 0.60 0.00 -0.71 0.00 0.00 39.64 37.81 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 -3.88 0.00 0.52 1.39 3.72 -0.36 -2.86 117.46 115.99 2nuu n PHE 332 Ca -0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.36 2nuu n PHE 332 Cb 0.47 -0.23 0.39 0.00 -0.94 0.00 0.00 39.48 39.17 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 3.16 1.00 -2.95 4.37 0.00 -1.71 -3.24 119.26 119.90 2nuu h ALA 333 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2nuu h ALA 333 Cb 0.18 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.08 2nuu h ALA 333 CO 0.00 0.00 0.65 0.00 0.00 0.00 0.00 179.25 179.90 2nuu s ALA 334 N -3.17 3.14 0.25 0.00 0.00 -1.13 -0.02 121.76 120.83 2nuu s ALA 334 Ca 0.09 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 2nuu s ALA 334 Cb 0.11 -3.55 0.27 0.00 0.00 0.00 0.00 23.12 19.95 2nuu s ALA 334 CO 0.58 -1.12 1.89 0.77 0.00 0.00 0.00 175.76 177.87 2nuu h SER 335 N 2.21 1.09 0.31 0.00 0.02 -1.89 0.37 113.55 115.66 2nuu h SER 335 Ca -0.50 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2nuu h SER 335 Cb 1.27 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2nuu h SER 335 CO 0.61 0.85 0.00 -1.54 -1.14 0.00 0.00 176.83 175.60 2nuu n SER 336 N -4.35 0.14 -0.54 3.07 3.41 -1.26 -2.22 113.62 111.87 2nuu n SER 336 Ca 0.10 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 2nuu n SER 336 Cb 0.07 -0.57 0.19 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.67 3.17 0.00 1.04 4.77 -1.02 -4.94 117.00 118.35 2nuu n LEU 337 Ca 0.02 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 2nuu n LEU 337 Cb 0.11 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2nuu n LEU 337 CO 0.09 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2nuu n GLY 338 N -0.73 0.75 3.84 -0.72 0.00 -0.94 -4.58 105.19 102.81 2nuu n GLY 338 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.68 1.76 0.03 -0.02 0.00 0.09 -2.76 107.32 104.74 2nuu s GLY 339 Ca 0.00 -1.25 0.27 0.00 0.00 0.00 0.00 44.72 43.74 2nuu s GLY 339 CO 0.00 -0.39 1.66 1.55 0.00 0.00 0.00 173.10 175.92 2nuu n VAL 340 N -4.12 0.07 0.00 1.40 3.14 -0.37 -4.33 118.33 114.13 2nuu n VAL 340 Ca 0.16 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2nuu n VAL 340 Cb 0.59 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 2nuu n VAL 340 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2nuu n GLY 341 N 1.47 1.18 3.93 7.55 0.00 0.97 -4.86 105.19 115.43 2nuu n GLY 341 Ca 0.06 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.55 1.92 0.47 1.61 0.08 -1.26 -4.85 117.98 113.40 2nuu s PHE 342 Ca 0.00 0.41 -0.22 0.00 0.12 0.00 0.00 56.93 57.24 2nuu s PHE 342 Cb 0.00 -3.95 -0.08 0.00 -0.57 0.00 0.00 43.02 38.43 2nuu s PHE 342 CO 0.00 -2.42 1.12 0.00 -0.10 0.00 0.00 175.22 173.82 2nuu s ALA 343 N -3.80 2.92 0.11 5.36 0.00 -1.26 -4.90 121.76 120.19 2nuu s ALA 343 Ca 0.71 0.82 -0.36 0.00 0.00 0.00 0.00 51.96 53.13 2nuu s ALA 343 Cb -0.06 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 2nuu s ALA 343 CO 0.52 -0.54 1.37 0.39 0.00 0.00 0.00 175.76 177.50 2nuu n GLU 344 N -0.64 1.32 -0.85 0.00 1.02 -1.26 -1.50 120.64 118.72 2nuu n GLU 344 Ca 0.08 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2nuu n GLU 344 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 2nuu n GLU 344 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nuu n GLY 345 N 2.62 0.71 3.56 0.62 0.00 -1.26 -5.04 105.19 106.40 2nuu n GLY 345 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.65 4.45 0.44 1.61 1.01 -0.57 -5.10 120.40 119.59 2nuu s VAL 346 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2nuu s VAL 346 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.39 2nuu s VAL 346 CO 0.00 0.45 0.61 0.42 0.00 0.00 0.00 175.10 176.58 2nuu s THR 347 N 0.59 3.20 0.12 3.92 -4.23 -1.26 -4.76 115.64 113.22 2nuu s THR 347 Ca 0.01 -0.87 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 2nuu s THR 347 Cb -0.13 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 2nuu s THR 347 CO 0.02 -0.06 1.57 -0.03 -0.54 0.00 0.00 174.62 175.58 2nuu h MET 348 N 0.52 0.63 -0.64 3.99 4.05 -1.99 -1.43 114.93 120.05 2nuu h MET 348 Ca -0.42 -0.19 0.07 0.00 -0.28 0.00 0.00 59.70 58.88 2nuu h MET 348 Cb 1.28 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.95 2nuu h MET 348 CO 0.49 0.72 0.33 0.78 0.23 0.00 0.00 176.91 179.46 2nuu h GLY 349 N 0.45 0.93 0.76 1.39 0.00 -1.96 -0.03 103.07 104.62 2nuu h GLY 349 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2nuu h GLY 349 CO 0.01 0.10 -0.02 0.84 0.00 0.00 0.00 176.54 177.48 2nuu h HIS 350 N 0.60 -0.05 -0.80 5.60 6.17 -1.93 -2.80 115.15 121.94 2nuu h HIS 350 Ca 0.30 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.44 2nuu h HIS 350 Cb 0.24 0.01 -0.06 0.00 2.52 0.00 0.00 27.41 30.13 2nuu h HIS 350 CO -0.10 0.20 0.49 0.37 0.71 0.00 0.00 177.93 179.60 2nuu h GLN 351 N -0.29 0.87 -0.30 5.26 5.75 -0.88 -2.21 115.11 123.31 2nuu h GLN 351 Ca -0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2nuu h GLN 351 Cb 0.27 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2nuu h GLN 351 CO 0.01 0.58 0.04 -0.07 -2.65 0.00 0.00 178.83 176.74 2nuu h LEU 352 N 0.90 -0.03 -1.36 -2.39 3.38 -0.93 -0.98 115.31 113.91 2nuu h LEU 352 Ca 0.35 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2nuu h LEU 352 Cb 0.16 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2nuu h LEU 352 CO -0.17 0.02 0.39 -0.07 0.09 0.00 0.00 178.44 178.70 2nuu h LEU 353 N 0.15 0.72 -0.90 1.67 3.38 -1.17 -0.48 115.31 118.68 2nuu h LEU 353 Ca 0.14 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2nuu h LEU 353 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2nuu h LEU 353 CO -0.20 0.54 -0.48 0.58 0.09 0.00 0.00 178.44 178.97 2nuu h VAL 354 N 0.84 1.34 -0.11 1.22 2.07 -0.80 0.34 116.25 121.15 2nuu h VAL 354 Ca 0.23 -1.67 -0.18 0.00 0.82 0.00 0.00 66.70 65.90 2nuu h VAL 354 Cb -0.07 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2nuu h VAL 354 CO -0.05 0.49 -0.64 1.56 0.02 0.00 0.00 177.57 178.96 2nuu h GLN 355 N 0.14 0.63 -0.56 1.57 1.08 -0.34 -2.10 115.11 115.53 2nuu h GLN 355 Ca 0.01 -0.53 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 2nuu h GLN 355 Cb 0.89 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 2nuu h GLN 355 CO 0.07 1.15 0.35 -0.07 -0.95 0.00 0.00 178.83 179.37 2nuu h LEU 356 N 0.27 0.66 -0.44 1.46 3.38 -0.86 -1.04 115.31 118.74 2nuu h LEU 356 Ca -0.05 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2nuu h LEU 356 Cb 1.28 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2nuu h LEU 356 CO 0.13 0.51 0.21 -0.08 0.09 0.00 0.00 178.44 179.31 2nuu h GLU 357 N 0.75 0.42 -0.26 1.13 4.81 -0.92 -0.58 114.58 119.93 2nuu h GLU 357 Ca 0.20 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2nuu h GLU 357 Cb -0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2nuu h GLU 357 CO -0.04 0.28 0.13 0.77 -0.73 0.00 0.00 179.01 179.42 2nuu h SER 358 N 0.43 0.20 -0.27 1.04 0.02 -0.69 -0.53 113.55 113.75 2nuu h SER 358 Ca 0.19 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2nuu h SER 358 Cb 0.11 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2nuu h SER 358 CO -0.14 0.15 0.16 0.40 -1.14 0.00 0.00 176.83 176.26 2nuu h ILE 359 N 0.28 1.11 -0.30 3.27 2.04 -0.87 -2.12 117.51 120.91 2nuu h ILE 359 Ca 0.11 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2nuu h ILE 359 Cb 0.02 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2nuu h ILE 359 CO -0.07 0.10 0.17 0.00 0.00 0.00 0.00 178.15 178.36 2nuu h ALA 360 N 1.05 0.37 -0.41 1.87 0.00 -0.90 -1.24 119.26 119.99 2nuu h ALA 360 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nuu h ALA 360 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2nuu h ALA 360 CO -0.02 -0.20 0.21 0.82 0.00 0.00 0.00 179.25 180.06 2nuu h ILE 361 N 0.35 1.17 -0.48 0.00 2.04 -0.99 -2.66 117.51 116.94 2nuu h ILE 361 Ca 0.12 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2nuu h ILE 361 Cb 0.01 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2nuu h ILE 361 CO -0.06 0.18 0.28 0.74 0.00 0.00 0.00 178.15 179.29 2nuu h THR 362 N 0.53 1.16 0.46 -0.27 2.02 -1.21 -0.56 112.91 115.04 2nuu h THR 362 Ca 0.14 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2nuu h THR 362 Cb 0.09 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2nuu h THR 362 CO -0.02 0.17 -0.35 0.40 0.37 0.00 0.00 175.52 176.09 2nuu h ILE 363 N 0.64 0.28 -0.38 3.11 2.04 -1.09 -0.71 117.51 121.41 2nuu h ILE 363 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 2nuu h ILE 363 Cb 0.03 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2nuu h ILE 363 CO -0.03 0.00 0.23 0.58 0.00 0.00 0.00 178.15 178.93 2nuu h VAL 364 N -0.80 1.05 0.55 1.67 2.07 -1.41 -1.00 116.25 118.39 2nuu h VAL 364 Ca -0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2nuu h VAL 364 Cb 0.68 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2nuu h VAL 364 CO 0.01 0.08 -0.26 -0.25 0.02 0.00 0.00 177.57 177.17 2nuu h TRP 365 N 0.46 -0.68 -0.47 1.57 2.91 -0.98 -1.13 115.95 117.62 2nuu h TRP 365 Ca 0.15 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 2nuu h TRP 365 Cb -0.01 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 2nuu h TRP 365 CO -0.07 -0.42 0.27 1.03 -1.03 0.00 0.00 178.44 178.22 2nuu h SER 366 N -0.74 0.58 -0.02 2.65 0.87 -1.13 -2.24 113.55 113.51 2nuu h SER 366 Ca -0.08 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2nuu h SER 366 Cb 0.57 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2nuu h SER 366 CO 0.12 0.49 -0.14 1.23 -0.53 0.00 0.00 176.83 178.01 2nuu h GLY 367 N 0.63 -0.15 0.95 5.77 0.00 -1.11 0.34 103.07 109.50 2nuu h GLY 367 Ca 0.17 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2nuu h GLY 367 CO -0.03 -0.14 0.10 -2.08 0.00 0.00 0.00 176.54 174.39 2nuu h VAL 368 N -0.22 1.09 -0.32 4.60 2.07 -1.18 -1.00 116.25 121.30 2nuu h VAL 368 Ca 0.06 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2nuu h VAL 368 Cb 0.29 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2nuu h VAL 368 CO -0.15 0.09 -0.16 0.58 0.02 0.00 0.00 177.57 177.94 2nuu h VAL 369 N 0.19 1.25 -0.50 2.57 2.07 -1.20 -2.25 116.25 118.38 2nuu h VAL 369 Ca 0.06 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 2nuu h VAL 369 Cb 0.05 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2nuu h VAL 369 CO -0.01 0.38 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 2nuu h ALA 370 N 1.30 0.68 -0.25 1.67 0.00 -0.15 -1.70 119.26 120.81 2nuu h ALA 370 Ca 0.09 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2nuu h ALA 370 Cb 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2nuu h ALA 370 CO 0.04 0.50 -0.15 0.35 0.00 0.00 0.00 179.25 179.99 2nuu h PHE 371 N 0.76 -0.37 -0.35 0.00 3.57 -0.80 -0.94 116.94 118.81 2nuu h PHE 371 Ca 0.14 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2nuu h PHE 371 Cb 0.54 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2nuu h PHE 371 CO 0.04 -0.22 0.17 0.82 -2.23 0.00 0.00 178.31 176.89 2nuu h ILE 372 N -0.13 0.97 -0.31 1.41 2.04 -1.14 -1.41 117.51 118.95 2nuu h ILE 372 Ca 0.14 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2nuu h ILE 372 Cb 0.33 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2nuu h ILE 372 CO -0.33 0.06 0.13 1.23 0.00 0.00 0.00 178.15 179.24 2nuu h GLY 373 N 0.35 0.50 0.94 5.37 0.00 -0.92 -0.59 103.07 108.73 2nuu h GLY 373 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2nuu h GLY 373 CO -0.11 0.26 0.09 -0.97 0.00 0.00 0.00 176.54 175.81 2nuu h TYR 374 N 0.36 0.69 -0.15 5.60 0.05 -1.11 -2.19 116.97 120.23 2nuu h TYR 374 Ca 0.10 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 2nuu h TYR 374 Cb 0.18 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2nuu h TYR 374 CO -0.01 0.66 -0.22 0.87 -1.05 0.00 0.00 178.16 178.41 2nuu h LYS 375 N 0.52 0.26 -0.15 4.88 1.79 -1.16 0.00 116.57 122.71 2nuu h LYS 375 Ca 0.13 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2nuu h LYS 375 Cb 0.32 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2nuu h LYS 375 CO 0.00 0.47 0.08 1.25 -1.08 0.00 0.00 179.45 180.17 2nuu h LEU 376 N 0.23 0.20 -0.06 2.94 6.46 -0.88 -1.02 115.31 123.18 2nuu h LEU 376 Ca 0.04 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2nuu h LEU 376 Cb 0.53 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2nuu h LEU 376 CO 0.04 0.25 0.04 0.00 -0.62 0.00 0.00 178.44 178.14 2nuu h ALA 377 N 0.96 0.08 -0.09 1.25 0.00 -0.99 -2.10 119.26 118.37 2nuu h ALA 377 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nuu h ALA 377 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2nuu h ALA 377 CO -0.01 -0.40 0.11 0.22 0.00 0.00 0.00 179.25 179.17 2nuu h ASP 378 N 0.04 0.00 0.68 0.00 -0.00 -0.74 -0.63 116.42 115.78 2nuu h ASP 378 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.82 2nuu h ASP 378 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.33 2nuu h ASP 378 CO -0.00 0.00 -1.45 0.25 -0.00 0.00 0.00 179.24 178.04 2nuu h LEU 379 N 0.00 0.00 0.00 2.28 5.85 -0.64 -3.19 115.31 119.61 2nuu h LEU 379 Ca 0.05 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.44 2nuu h LEU 379 Cb 0.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2nuu h LEU 379 CO -0.00 0.82 -2.31 0.35 -0.34 0.00 0.00 178.44 176.96 2nuu n THR 380 N -3.04 1.21 0.00 1.05 -2.24 -0.84 -4.79 114.28 105.63 2nuu n THR 380 Ca -0.11 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2nuu n THR 380 Cb 0.95 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2nuu n THR 380 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2nuu n VAL 381 N -2.68 0.00 -0.25 2.28 0.24 -0.32 -5.11 118.33 112.49 2nuu n VAL 381 Ca -0.29 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2nuu n VAL 381 Cb 1.08 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 0.84 -1.23 0.33 7.63 0.00 -0.73 -4.93 105.19 107.10 2nuu n GLY 382 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 1.04 -9.51 0.99 3.38 -1.76 -3.43 115.31 106.02 2nuu h LEU 383 Ca 0.00 -0.13 -0.65 0.00 0.09 0.00 0.00 57.88 57.19 2nuu h LEU 383 Cb 0.00 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 2nuu h LEU 383 CO 0.00 0.89 -0.63 -0.60 0.09 0.00 0.00 178.44 178.18 2nuu s ARG 384 N -5.70 2.73 0.30 1.13 3.52 -1.26 -0.88 118.95 118.78 2nuu s ARG 384 Ca -0.13 -0.72 -0.22 0.00 -0.13 0.00 0.00 55.73 54.53 2nuu s ARG 384 Cb 0.16 -2.65 -0.09 0.00 -1.56 0.00 0.00 34.95 30.81 2nuu s ARG 384 CO 0.82 0.57 0.84 0.54 -0.81 0.00 0.00 175.30 177.26 2nuu s VAL 385 N -1.28 4.42 0.82 7.11 0.11 -0.91 -4.83 120.40 125.85 2nuu s VAL 385 Ca 0.25 1.48 -0.13 0.00 -2.93 0.00 0.00 61.98 60.65 2nuu s VAL 385 Cb -0.12 -3.85 0.07 0.00 -1.53 0.00 0.00 36.38 30.95 2nuu s VAL 385 CO 0.18 0.07 1.06 -0.81 -3.33 0.00 0.00 175.10 172.27 2nuu n PRO 386 N 0.36 0.11 -0.15 1.54 -0.04 -1.26 -4.77 135.00 130.79 2nuu n PRO 386 Ca 0.01 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2nuu n PRO 386 Cb 0.51 -2.32 0.04 0.00 -0.04 0.00 0.00 33.50 31.69 2nuu n PRO 386 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2nuu h GLU 387 N -0.97 0.03 -0.91 0.54 4.39 -1.98 -2.08 114.58 113.60 2nuu h GLU 387 Ca -0.46 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.42 2nuu h GLU 387 Cb 1.30 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.84 2nuu h GLU 387 CO 0.44 0.02 0.48 0.93 -1.16 0.00 0.00 179.01 179.72 2nuu h GLU 388 N 0.03 0.58 -0.11 2.33 5.08 -1.99 0.46 114.58 120.97 2nuu h GLU 388 Ca 0.23 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 2nuu h GLU 388 Cb 0.35 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2nuu h GLU 388 CO -0.46 0.39 -0.71 1.96 -1.00 0.00 0.00 179.01 179.19 2nuu h GLN 389 N 0.60 0.50 -0.51 2.33 4.20 -1.76 -2.12 115.11 118.34 2nuu h GLN 389 Ca 0.52 -0.39 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 2nuu h GLN 389 Cb 0.84 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 2nuu h GLN 389 CO -0.41 1.02 -0.11 1.49 -0.67 0.00 0.00 178.83 180.15 2nuu h GLU 390 N 0.35 0.96 -0.08 1.46 4.81 -0.42 0.23 114.58 121.89 2nuu h GLU 390 Ca -0.03 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 2nuu h GLU 390 Cb 1.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2nuu h GLU 390 CO 0.13 1.01 -0.50 0.00 -0.73 0.00 0.00 179.01 178.92 2nuu h ARG 391 N 0.86 0.21 0.16 1.92 3.08 -0.08 -3.18 114.38 117.35 2nuu h ARG 391 Ca 0.14 -0.12 -0.30 0.00 0.07 0.00 0.00 59.98 59.77 2nuu h ARG 391 Cb 0.65 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.72 2nuu h ARG 391 CO 0.05 0.66 -1.34 0.93 -1.07 0.00 0.00 179.97 179.19 2nuu h GLU 392 N 0.17 0.34 0.00 0.04 5.08 -1.17 -3.50 114.58 115.54 2nuu h GLU 392 Ca 0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2nuu h GLU 392 Cb 0.94 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2nuu h GLU 392 CO 0.08 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.77 2nuu n GLY 393 N 1.60 3.48 0.11 -3.84 0.00 0.79 -4.90 105.19 102.43 2nuu n GLY 393 Ca -0.12 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.42 2nuu n GLY 393 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nuu n LEU 394 N 0.00 0.71 0.19 0.99 4.77 -1.21 -3.25 117.00 119.19 2nuu n LEU 394 Ca 0.00 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.44 2nuu n LEU 394 Cb 0.00 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 2nuu n LEU 394 CO 0.00 -0.31 0.60 0.44 -1.33 0.00 0.00 177.39 176.79 2nuu h ASP 395 N 0.00 -0.40 0.57 -1.43 5.19 -1.76 -0.73 116.42 117.86 2nuu h ASP 395 Ca 0.00 -0.12 -0.24 0.00 -0.62 0.00 0.00 57.03 56.06 2nuu h ASP 395 Cb 0.59 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 2nuu h ASP 395 CO 0.00 -0.10 -1.05 -0.37 -3.12 0.00 0.00 179.24 174.61 2nuu h VAL 396 N -0.71 1.49 -0.10 -1.35 -1.51 -1.66 0.37 116.25 112.78 2nuu h VAL 396 Ca -0.05 -2.81 -0.21 0.00 -1.23 0.00 0.00 66.70 62.40 2nuu h VAL 396 Cb 0.49 2.67 0.01 0.00 -2.13 0.00 0.00 31.29 32.33 2nuu h VAL 396 CO 0.08 0.82 -0.75 0.78 -1.23 0.00 0.00 177.57 177.27 2nuu h ASN 397 N 0.12 0.83 0.08 4.19 2.35 -1.63 -2.32 115.58 119.20 2nuu h ASN 397 Ca -0.09 -0.67 -0.35 0.00 -0.55 0.00 0.00 56.30 54.64 2nuu h ASN 397 Cb 1.73 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 39.78 2nuu h ASN 397 CO 0.17 1.37 -2.28 -1.20 -1.65 0.00 0.00 177.43 173.84 2nuu n SER 398 N -4.02 0.14 -0.02 5.81 7.64 -0.29 -4.66 113.62 118.23 2nuu n SER 398 Ca -0.09 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2nuu n SER 398 Cb 0.73 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.80 0.00 -3.94 1.43 8.25 -0.57 -5.04 115.22 112.56 2nuu n HIS 399 Ca -0.30 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.85 2nuu n HIS 399 Cb 1.14 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.27 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 0.48 -0.48 3.09 -1.41 0.00 0.01 -4.92 105.19 101.96 2nuu n GLY 400 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.63 0.55 -0.17 1.61 2.02 -1.12 -4.94 118.70 110.03 2nuu s GLU 401 Ca 0.64 -0.85 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 2nuu s GLU 401 Cb -0.32 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2nuu s GLU 401 CO 0.84 -0.12 -0.14 1.21 0.02 0.00 0.00 175.26 177.06 2nuu s ASN 402 N -2.21 3.67 0.15 -0.19 3.04 -1.26 -3.36 114.94 114.79 2nuu s ASN 402 Ca -0.04 -0.48 -0.23 0.00 0.04 0.00 0.00 52.86 52.15 2nuu s ASN 402 Cb -0.00 -1.57 0.03 0.00 -1.54 0.00 0.00 41.25 38.16 2nuu s ASN 402 CO -0.05 0.06 1.61 0.00 -3.04 0.00 0.00 177.10 175.68 2nuu h ALA 403 N 7.48 -0.19 -3.44 1.71 0.00 -1.96 -3.40 119.26 119.44 2nuu h ALA 403 Ca -0.35 0.08 -0.67 0.00 0.00 0.00 0.00 54.91 53.96 2nuu h ALA 403 Cb 1.18 0.60 -0.34 0.00 0.00 0.00 0.00 17.79 19.22 2nuu h ALA 403 CO 0.58 -0.71 -0.79 0.71 0.00 0.00 0.00 179.25 179.04 2nuu s TYR 404 N -6.04 3.08 0.49 0.00 2.02 -1.26 -5.11 117.35 110.53 2nuu s TYR 404 Ca -0.15 -1.87 0.04 0.00 -0.37 0.00 0.00 57.07 54.72 2nuu s TYR 404 Cb 0.12 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2nuu s TYR 404 CO 0.68 -0.81 0.13 -0.80 -1.57 0.00 0.00 175.55 173.18 2nuu s ASN 405 N 1.23 4.27 0.00 2.29 0.01 -1.26 -5.23 114.94 116.24 2nuu s ASN 405 Ca -0.02 -1.42 0.00 0.00 -0.71 0.00 0.00 52.86 50.70 2nuu s ASN 405 Cb -0.17 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.69 2nuu s ASN 405 CO -0.06 -0.81 0.22 0.00 -1.51 0.00 0.00 177.10 174.94