#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1niu s ASP 3 N 0.00 0.06 0.13 6.41 -4.77 -1.26 -4.69 116.67 112.56 1niu s ASP 3 Ca 0.00 -0.85 0.05 0.00 -3.30 0.00 0.00 52.55 48.45 1niu s ASP 3 Cb 0.00 0.41 -0.04 0.00 -1.09 0.00 0.00 42.92 42.20 1niu s ASP 3 CO 0.00 -0.86 -0.11 0.72 0.70 0.00 0.00 175.17 175.62 1niu s PHE 4 N -3.95 1.25 -0.28 2.11 -0.71 -1.26 -4.86 117.98 110.27 1niu s PHE 4 Ca 0.15 -0.69 0.08 0.00 -1.04 0.00 0.00 56.93 55.44 1niu s PHE 4 Cb 0.04 -0.65 0.45 0.00 -1.21 0.00 0.00 43.02 41.65 1niu s PHE 4 CO -0.02 0.08 1.24 0.72 -1.34 0.00 0.00 175.22 175.90 1niu n HIS 5 N 0.14 1.81 -3.76 3.49 8.25 -1.26 -4.97 115.22 118.92 1niu n HIS 5 Ca -0.13 -1.99 -0.13 0.00 -0.26 0.00 0.00 57.72 55.22 1niu n HIS 5 Cb 0.59 -0.35 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 1niu n HIS 5 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1niu s ARG 6 N -3.48 0.35 -0.96 -0.41 3.52 -1.26 -5.07 118.95 111.64 1niu s ARG 6 Ca 0.47 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.44 1niu s ARG 6 Cb 0.40 0.16 -0.11 0.00 -1.56 0.00 0.00 34.95 33.84 1niu s ARG 6 CO 0.00 -0.05 3.10 -0.25 -0.81 0.00 0.00 175.30 177.29 1niu n ASP 7 N 3.01 7.35 -3.72 -2.12 8.00 -1.26 -4.76 116.55 123.04 1niu n ASP 7 Ca -0.14 -2.66 -0.18 0.00 0.71 0.00 0.00 54.79 52.52 1niu n ASP 7 Cb 0.58 -1.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.04 1niu n ASP 7 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1niu s THR 8 N 1.03 -0.06 0.04 -3.53 2.01 -1.26 -2.18 115.64 111.69 1niu s THR 8 Ca 0.66 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.75 1niu s THR 8 Cb 0.24 -0.14 0.05 0.00 0.01 0.00 0.00 72.50 72.66 1niu s THR 8 CO -0.06 0.15 0.52 -1.66 -0.69 0.00 0.00 174.62 172.88 1niu s TRP 9 N 1.67 -0.42 0.08 4.92 -2.14 -0.52 -4.33 118.94 118.20 1niu s TRP 9 Ca -0.01 0.50 0.02 0.00 2.66 0.00 0.00 56.10 59.27 1niu s TRP 9 Cb -0.12 0.33 -0.04 0.00 -3.10 0.00 0.00 33.47 30.53 1niu s TRP 9 CO -0.03 -0.62 0.14 0.00 -2.66 0.00 0.00 176.95 173.78 1niu s ALA 10 N -2.28 3.75 -0.09 2.67 0.00 0.68 -0.80 121.76 125.68 1niu s ALA 10 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1niu s ALA 10 Cb -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1niu s ALA 10 CO -0.00 0.75 -0.21 -1.21 0.00 0.00 0.00 175.76 175.09 1niu s GLU 11 N -2.53 2.68 -0.19 0.00 2.02 0.08 -0.55 118.70 120.21 1niu s GLU 11 Ca 0.32 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1niu s GLU 11 Cb -0.12 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1niu s GLU 11 CO 0.25 0.13 -0.12 0.08 0.02 0.00 0.00 175.26 175.62 1niu s VAL 12 N 0.45 2.82 -0.70 2.63 1.01 0.54 -1.50 120.40 125.65 1niu s VAL 12 Ca -0.17 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1niu s VAL 12 Cb -0.17 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1niu s VAL 12 CO 0.07 0.48 0.83 -0.62 0.00 0.00 0.00 175.10 175.86 1niu s ASP 13 N 1.21 6.34 0.51 3.32 -1.08 0.09 -0.96 116.67 126.10 1niu s ASP 13 Ca 0.02 -1.65 0.28 0.00 -0.52 0.00 0.00 52.55 50.67 1niu s ASP 13 Cb -0.14 -2.32 1.36 0.00 -1.46 0.00 0.00 42.92 40.35 1niu s ASP 13 CO -0.05 -1.08 2.02 -0.07 0.52 0.00 0.00 175.17 176.51 1niu h LEU 14 N 9.97 0.00 -1.09 -1.34 3.38 -1.07 -2.17 115.31 122.99 1niu h LEU 14 Ca -0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1niu h LEU 14 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1niu h LEU 14 CO 1.07 0.14 -0.07 0.44 0.09 0.00 0.00 178.44 180.10 1niu h ASP 15 N 0.00 0.53 -0.26 -0.43 3.32 -1.91 0.15 116.42 117.83 1niu h ASP 15 Ca -0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1niu h ASP 15 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1niu h ASP 15 CO 0.02 0.65 -0.04 0.00 -1.72 0.00 0.00 179.24 178.16 1niu h ALA 16 N 1.41 0.36 -0.62 3.45 0.00 -1.75 -1.09 119.26 121.02 1niu h ALA 16 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1niu h ALA 16 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1niu h ALA 16 CO 0.02 0.14 0.17 0.82 0.00 0.00 0.00 179.25 180.40 1niu h ILE 17 N 0.25 1.24 -0.19 0.00 2.04 -1.29 -1.38 117.51 118.17 1niu h ILE 17 Ca 0.07 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1niu h ILE 17 Cb 0.49 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1niu h ILE 17 CO 0.02 0.32 0.08 0.22 0.00 0.00 0.00 178.15 178.80 1niu h TYR 18 N 0.92 0.28 -0.72 1.37 5.03 -0.44 -2.63 116.97 120.77 1niu h TYR 18 Ca 0.20 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1niu h TYR 18 Cb 0.30 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 1niu h TYR 18 CO 0.02 0.31 0.36 -0.44 -1.32 0.00 0.00 178.16 177.09 1niu h ASP 19 N 0.16 0.92 -0.17 -2.11 3.32 -0.94 -0.57 116.42 117.03 1niu h ASP 19 Ca 0.06 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1niu h ASP 19 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1niu h ASP 19 CO -0.01 0.76 -0.09 0.78 -1.72 0.00 0.00 179.24 178.97 1niu h ASN 20 N 1.02 0.49 0.17 6.45 2.35 -1.10 -2.15 115.58 122.81 1niu h ASN 20 Ca 0.25 -0.12 -0.23 0.00 -0.55 0.00 0.00 56.30 55.66 1niu h ASN 20 Cb 0.08 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.34 1niu h ASN 20 CO -0.04 0.63 -1.01 0.58 -1.65 0.00 0.00 177.43 175.94 1niu h VAL 21 N 0.48 1.43 -0.13 2.81 2.07 -1.11 -3.26 116.25 118.53 1niu h VAL 21 Ca 0.09 -2.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 1niu h VAL 21 Cb 0.45 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1niu h VAL 21 CO 0.02 0.74 -0.12 -0.08 0.02 0.00 0.00 177.57 178.15 1niu h GLU 22 N -0.24 0.21 -0.20 1.57 4.81 -1.09 -0.86 114.58 118.78 1niu h GLU 22 Ca -0.18 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 1niu h GLU 22 Cb 1.78 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 1niu h GLU 22 CO 0.18 0.34 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.49 1niu h ASN 23 N 0.20 0.47 -0.17 1.04 -0.26 -1.50 -2.12 115.58 113.24 1niu h ASN 23 Ca 0.04 -0.20 -0.22 0.00 -0.56 0.00 0.00 56.30 55.36 1niu h ASN 23 Cb 0.34 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1niu h ASN 23 CO 0.02 0.82 -0.75 0.25 -1.06 0.00 0.00 177.43 176.71 1niu h LEU 24 N 0.37 0.95 -2.27 1.61 5.85 -1.43 -1.80 115.31 118.60 1niu h LEU 24 Ca 0.04 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1niu h LEU 24 Cb 0.85 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1niu h LEU 24 CO 0.07 1.41 0.13 -0.09 -0.34 0.00 0.00 178.44 179.63 1niu h ARG 25 N 0.56 0.00 0.19 1.25 9.65 -0.97 0.11 114.38 125.16 1niu h ARG 25 Ca -0.04 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.48 1niu h ARG 25 Cb 1.38 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.97 1niu h ARG 25 CO 0.16 0.00 -1.76 0.00 2.80 0.00 0.00 179.97 181.16 1niu h ARG 26 N 0.00 0.40 0.00 0.20 3.08 -1.17 -3.35 114.38 113.54 1niu h ARG 26 Ca 0.06 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1niu h ARG 26 Cb 0.33 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1niu h ARG 26 CO -0.00 1.32 0.00 1.25 -1.07 0.00 0.00 179.97 181.47 1niu h LEU 27 N 0.11 0.00 -9.95 3.04 7.12 -0.34 -3.45 115.31 111.84 1niu h LEU 27 Ca -0.35 0.00 -0.52 0.00 0.13 0.00 0.00 57.88 57.15 1niu h LEU 27 Cb 2.10 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 42.19 1niu h LEU 27 CO 0.18 0.00 -0.51 -0.76 -0.13 0.00 0.00 178.44 177.22 1niu s LEU 28 N -5.79 3.98 0.39 2.25 1.43 0.24 -5.02 118.68 116.16 1niu s LEU 28 Ca 0.04 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 1niu s LEU 28 Cb 0.08 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1niu s LEU 28 CO 0.55 -0.01 1.25 -2.16 0.23 0.00 0.00 176.35 176.21 1niu s PRO 29 N -3.62 4.07 0.56 1.29 0.04 -1.26 -4.92 135.00 131.15 1niu s PRO 29 Ca 0.33 2.04 0.37 0.00 0.04 0.00 0.00 61.00 63.78 1niu s PRO 29 Cb -0.09 -2.78 1.52 0.00 0.04 0.00 0.00 34.50 33.19 1niu s PRO 29 CO 0.26 -0.37 1.75 -0.44 0.04 0.00 0.00 177.00 178.24 1niu h ASP 30 N 2.79 0.00 1.14 6.66 5.19 -1.97 0.17 116.42 130.41 1niu h ASP 30 Ca -0.49 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.79 1niu h ASP 30 Cb 1.24 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 1niu h ASP 30 CO 0.63 0.00 -0.59 -2.24 -3.12 0.00 0.00 179.24 173.92 1niu h ASP 31 N 0.00 0.00 -3.26 6.45 2.03 -1.96 -3.45 116.42 116.22 1niu h ASP 31 Ca 0.57 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 56.30 1niu h ASP 31 Cb 2.39 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.83 1niu h ASP 31 CO -0.01 0.59 0.50 -0.89 -1.03 0.00 0.00 179.24 178.41 1niu s THR 32 N -3.12 4.82 0.49 1.15 2.01 0.59 -4.92 115.64 116.66 1niu s THR 32 Ca 0.02 1.83 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 1niu s THR 32 Cb 0.09 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1niu s THR 32 CO 0.75 -0.01 0.86 -1.00 -0.69 0.00 0.00 174.62 174.54 1niu s HIS 33 N 2.22 3.52 -0.16 4.92 3.76 -0.80 -4.83 115.29 123.92 1niu s HIS 33 Ca 0.43 1.12 0.01 0.00 -0.15 0.00 0.00 55.06 56.46 1niu s HIS 33 Cb -0.17 -2.53 0.01 0.00 1.11 0.00 0.00 32.58 31.00 1niu s HIS 33 CO 0.14 -0.31 -0.18 0.42 -0.85 0.00 0.00 174.74 173.96 1niu s ILE 34 N -2.67 2.35 -0.36 0.60 1.01 -1.26 -1.78 121.20 119.09 1niu s ILE 34 Ca 0.52 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1niu s ILE 34 Cb -0.10 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.42 1niu s ILE 34 CO 0.39 0.53 0.16 -0.32 0.00 0.00 0.00 174.94 175.70 1niu s MET 35 N 1.01 2.76 -0.12 2.79 -2.45 0.44 -1.68 119.30 122.05 1niu s MET 35 Ca -0.02 -1.11 -0.30 0.00 -1.25 0.00 0.00 55.69 53.02 1niu s MET 35 Cb -0.15 -3.61 -0.02 0.00 1.25 0.00 0.00 34.83 32.31 1niu s MET 35 CO -0.05 -0.67 1.14 0.00 1.05 0.00 0.00 175.02 176.49 1niu s ALA 36 N 1.49 3.54 -0.24 4.11 0.00 -0.28 -0.29 121.76 130.09 1niu s ALA 36 Ca 0.01 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 1niu s ALA 36 Cb -0.19 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.40 1niu s ALA 36 CO 0.05 -0.86 0.84 0.08 0.00 0.00 0.00 175.76 175.87 1niu s VAL 37 N 2.60 4.82 -0.14 0.00 1.01 0.30 -1.60 120.40 127.41 1niu s VAL 37 Ca 0.52 1.59 0.16 0.00 0.00 0.00 0.00 61.98 64.24 1niu s VAL 37 Cb -0.21 -4.13 0.40 0.00 0.00 0.00 0.00 36.38 32.44 1niu s VAL 37 CO 0.17 -0.09 1.19 0.55 0.00 0.00 0.00 175.10 176.92 1niu n VAL 38 N 5.27 1.46 -1.39 2.92 3.14 0.08 -4.74 118.33 125.07 1niu n VAL 38 Ca 0.06 -2.40 -0.30 0.00 -2.96 0.00 0.00 64.34 58.74 1niu n VAL 38 Cb 0.47 0.15 0.12 0.00 -1.06 0.00 0.00 33.84 33.52 1niu n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1niu s LYS 39 N -2.15 1.53 -1.21 1.45 -2.85 -1.22 -1.82 119.74 113.46 1niu s LYS 39 Ca 0.35 0.66 -0.07 0.00 -1.00 0.00 0.00 55.97 55.91 1niu s LYS 39 Cb 0.36 -1.85 -0.02 0.00 -2.06 0.00 0.00 37.83 34.26 1niu s LYS 39 CO -0.09 -2.01 0.77 0.00 0.10 0.00 0.00 175.35 174.12 1niu n ALA 40 N -3.70 -2.24 -4.00 0.59 0.00 -1.26 -1.13 120.51 108.77 1niu n ALA 40 Ca 0.07 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1niu n ALA 40 Cb 0.56 -3.21 -0.01 0.00 0.00 0.00 0.00 19.45 16.79 1niu n ALA 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1niu n ASN 41 N -2.99 -2.31 -3.55 0.00 5.15 -1.26 -1.02 115.26 109.28 1niu n ASN 41 Ca -0.21 -0.94 -0.20 0.00 -0.60 0.00 0.00 54.58 52.63 1niu n ASN 41 Cb 0.65 -3.26 0.06 0.00 -0.53 0.00 0.00 39.78 36.69 1niu n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1niu n ALA 42 N -4.45 -2.18 -3.56 5.20 0.00 -0.52 -0.82 120.51 114.18 1niu n ALA 42 Ca -0.11 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1niu n ALA 42 Cb 0.59 -3.08 0.03 0.00 0.00 0.00 0.00 19.45 17.00 1niu n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1niu n TYR 43 N -4.02 -2.28 -0.98 0.00 4.02 -0.19 -1.07 117.16 112.65 1niu n TYR 43 Ca -0.23 0.77 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 1niu n TYR 43 Cb 0.65 -4.15 0.00 0.00 -0.02 0.00 0.00 39.34 35.82 1niu n TYR 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1niu n GLY 44 N -1.64 0.58 0.06 2.72 0.00 -0.35 -3.91 105.19 102.63 1niu n GLY 44 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1niu n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1niu n HIS 45 N -2.57 0.45 0.00 1.61 8.25 -0.23 -4.90 115.22 117.83 1niu n HIS 45 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1niu n HIS 45 Cb 0.05 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1niu n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1niu n GLY 46 N 1.28 2.15 0.37 -1.41 0.00 -0.00 -4.83 105.19 102.74 1niu n GLY 46 Ca -0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1niu n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1niu h ASP 47 N 0.00 -0.92 -0.16 1.61 2.03 -1.88 -1.95 116.42 115.14 1niu h ASP 47 Ca 0.00 0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 56.35 1niu h ASP 47 Cb 0.00 0.31 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 1niu h ASP 47 CO 0.00 -0.48 0.00 -0.37 -1.03 0.00 0.00 179.24 177.36 1niu h VAL 48 N -0.72 1.25 -0.96 4.15 -1.51 -1.96 -0.94 116.25 115.57 1niu h VAL 48 Ca -0.02 -0.84 0.11 0.00 -1.23 0.00 0.00 66.70 64.71 1niu h VAL 48 Cb 0.65 1.49 -0.07 0.00 -2.13 0.00 0.00 31.29 31.22 1niu h VAL 48 CO -0.06 0.25 0.61 1.56 -1.23 0.00 0.00 177.57 178.71 1niu h GLN 49 N 0.04 0.93 0.16 5.19 7.50 -1.93 -0.11 115.11 126.89 1niu h GLN 49 Ca 0.05 -0.06 -0.22 0.00 0.50 0.00 0.00 58.65 58.92 1niu h GLN 49 Cb 0.38 -0.21 0.03 0.00 0.05 0.00 0.00 27.48 27.72 1niu h GLN 49 CO 0.01 0.62 -0.96 0.28 -1.50 0.00 0.00 178.83 177.28 1niu h VAL 50 N 0.96 1.45 -0.50 -0.54 2.07 -1.31 -2.94 116.25 115.44 1niu h VAL 50 Ca 0.46 -2.54 0.05 0.00 0.82 0.00 0.00 66.70 65.49 1niu h VAL 50 Cb 0.44 3.12 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 1niu h VAL 50 CO -0.22 0.73 0.23 0.00 0.02 0.00 0.00 177.57 178.34 1niu h ALA 51 N 0.12 0.64 -0.27 1.67 0.00 -0.87 0.21 119.26 120.76 1niu h ALA 51 Ca -0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1niu h ALA 51 Cb 1.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1niu h ALA 51 CO 0.18 -0.13 0.12 -0.09 0.00 0.00 0.00 179.25 179.33 1niu h ARG 52 N 0.45 0.39 -0.77 0.00 2.43 -1.14 -1.74 114.38 114.01 1niu h ARG 52 Ca 0.23 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1niu h ARG 52 Cb 0.17 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1niu h ARG 52 CO -0.18 0.39 0.39 1.15 -1.51 0.00 0.00 179.97 180.20 1niu h THR 53 N 0.29 1.24 -0.39 0.20 2.02 -1.26 -2.29 112.91 112.72 1niu h THR 53 Ca 0.09 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 1niu h THR 53 Cb 0.13 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1niu h THR 53 CO -0.01 0.28 -0.22 0.00 0.37 0.00 0.00 175.52 175.94 1niu h ALA 54 N 1.33 0.55 -0.74 6.16 0.00 -0.75 -2.18 119.26 123.63 1niu h ALA 54 Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1niu h ALA 54 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1niu h ALA 54 CO -0.04 0.53 0.42 -0.07 0.00 0.00 0.00 179.25 180.08 1niu h LEU 55 N 0.64 0.91 -1.21 0.00 3.38 -1.11 -1.13 115.31 116.80 1niu h LEU 55 Ca 0.08 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1niu h LEU 55 Cb 0.78 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1niu h LEU 55 CO 0.06 0.73 -0.30 -0.33 0.09 0.00 0.00 178.44 178.69 1niu h GLU 56 N 1.03 0.16 0.00 1.13 5.08 -1.25 -3.01 114.58 117.72 1niu h GLU 56 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1niu h GLU 56 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1niu h GLU 56 CO -0.04 0.45 -0.13 0.00 -1.00 0.00 0.00 179.01 178.29 1niu n ALA 57 N -2.48 2.55 0.00 3.43 0.00 -0.50 -4.90 120.51 118.61 1niu n ALA 57 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1niu n ALA 57 Cb 0.38 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1niu n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1niu n GLY 58 N 1.44 0.55 3.79 0.00 0.00 -0.87 -3.98 105.19 106.13 1niu n GLY 58 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1niu n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1niu s ALA 59 N -0.31 3.03 -0.04 4.61 0.00 -0.77 -4.54 121.76 123.74 1niu s ALA 59 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1niu s ALA 59 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1niu s ALA 59 CO 0.00 -0.17 0.11 -1.13 0.00 0.00 0.00 175.76 174.57 1niu n SER 60 N -0.32 3.32 -4.29 0.00 3.41 -0.67 -4.38 113.62 110.68 1niu n SER 60 Ca 0.06 -0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1niu n SER 60 Cb 0.51 1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 65.53 1niu n SER 60 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1niu s ARG 61 N -2.15 1.27 0.12 4.33 0.52 -1.12 -4.31 118.95 117.61 1niu s ARG 61 Ca -0.01 -1.65 0.06 0.00 -0.52 0.00 0.00 55.73 53.61 1niu s ARG 61 Cb 0.03 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 1niu s ARG 61 CO 0.18 -0.17 -0.14 -0.51 0.02 0.00 0.00 175.30 174.68 1niu s LEU 62 N -3.26 2.40 -0.01 2.53 1.43 -0.17 -1.12 118.68 120.48 1niu s LEU 62 Ca 0.30 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1niu s LEU 62 Cb 0.07 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 1niu s LEU 62 CO 0.08 -0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.46 1niu s ALA 63 N -2.10 0.64 0.27 4.21 0.00 -0.62 -1.27 121.76 122.89 1niu s ALA 63 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1niu s ALA 63 Cb -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1niu s ALA 63 CO 0.03 0.13 0.02 0.08 0.00 0.00 0.00 175.76 176.01 1niu s VAL 64 N 0.01 1.14 -0.10 0.00 1.01 -0.49 -0.74 120.40 121.22 1niu s VAL 64 Ca 0.00 -2.03 -0.18 0.00 0.00 0.00 0.00 61.98 59.77 1niu s VAL 64 Cb -0.05 -2.52 -0.27 0.00 0.00 0.00 0.00 36.38 33.53 1niu s VAL 64 CO -0.00 -0.20 0.60 0.00 0.00 0.00 0.00 175.10 175.51 1niu h ALA 65 N 2.33 0.13 -2.59 5.51 0.00 -1.92 -0.35 119.26 122.37 1niu h ALA 65 Ca -0.39 -1.00 -0.21 0.00 0.00 0.00 0.00 54.91 53.30 1niu h ALA 65 Cb 1.23 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 19.28 1niu h ALA 65 CO 0.66 0.70 -0.58 -0.59 0.00 0.00 0.00 179.25 179.44 1niu s PHE 66 N -2.45 1.04 0.30 0.00 -0.71 -1.26 -1.48 117.98 113.42 1niu s PHE 66 Ca -0.19 -1.29 0.06 0.00 -1.04 0.00 0.00 56.93 54.46 1niu s PHE 66 Cb 0.04 -0.48 0.75 0.00 -1.21 0.00 0.00 43.02 42.11 1niu s PHE 66 CO 0.76 -0.65 1.75 1.25 -1.34 0.00 0.00 175.22 176.99 1niu h LEU 67 N 2.63 0.67 -1.54 -1.99 5.85 -1.95 -1.92 115.31 117.06 1niu h LEU 67 Ca -0.35 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1niu h LEU 67 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1niu h LEU 67 CO 0.52 0.19 0.08 0.44 -0.34 0.00 0.00 178.44 179.33 1niu h ASP 68 N 0.65 0.34 0.29 1.25 5.19 -1.99 -1.86 116.42 120.29 1niu h ASP 68 Ca 0.58 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.84 1niu h ASP 68 Cb 0.97 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1niu h ASP 68 CO -0.42 0.34 -0.48 -0.33 -3.12 0.00 0.00 179.24 175.23 1niu h GLU 69 N 0.37 0.23 -0.02 3.56 5.08 -1.77 -2.11 114.58 119.93 1niu h GLU 69 Ca 0.09 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1niu h GLU 69 Cb 0.13 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1niu h GLU 69 CO -0.01 0.66 -0.61 0.00 -1.00 0.00 0.00 179.01 178.06 1niu h ALA 70 N 1.32 0.10 -0.22 3.43 0.00 -1.43 -2.85 119.26 119.61 1niu h ALA 70 Ca 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1niu h ALA 70 Cb 0.92 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1niu h ALA 70 CO 0.07 0.37 0.06 -0.07 0.00 0.00 0.00 179.25 179.69 1niu h LEU 71 N -0.04 0.28 -0.69 0.00 3.38 -1.35 -1.60 115.31 115.29 1niu h LEU 71 Ca -0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1niu h LEU 71 Cb 1.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1niu h LEU 71 CO 0.12 0.28 -0.22 0.00 0.09 0.00 0.00 178.44 178.71 1niu h ALA 72 N 1.77 0.87 -0.42 1.53 0.00 -1.35 -1.29 119.26 120.37 1niu h ALA 72 Ca 0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1niu h ALA 72 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1niu h ALA 72 CO -0.01 0.63 -0.30 -0.07 0.00 0.00 0.00 179.25 179.51 1niu h LEU 73 N 0.68 0.97 -0.82 0.00 3.38 -1.11 -2.88 115.31 115.54 1niu h LEU 73 Ca 0.09 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1niu h LEU 73 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1niu h LEU 73 CO 0.06 1.19 0.20 0.03 0.09 0.00 0.00 178.44 180.01 1niu h ARG 74 N 0.78 1.08 0.00 1.13 2.47 -1.10 -1.91 114.38 116.83 1niu h ARG 74 Ca 0.09 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1niu h ARG 74 Cb 0.87 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1niu h ARG 74 CO 0.08 0.93 0.00 1.49 0.56 0.00 0.00 179.97 183.03 1niu h GLU 75 N 1.04 0.00 -0.63 0.04 4.81 -1.15 -2.52 114.58 116.17 1niu h GLU 75 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1niu h GLU 75 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1niu h GLU 75 CO -0.01 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.90 1niu n LYS 76 N -2.99 3.03 -0.32 1.92 5.02 -0.92 -4.93 118.16 118.97 1niu n LYS 76 Ca 0.01 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1niu n LYS 76 Cb 0.31 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1niu n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1niu n GLY 77 N 1.12 0.68 3.70 0.72 0.00 -0.95 -5.05 105.19 105.42 1niu n GLY 77 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1niu n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1niu s ILE 78 N -2.56 4.51 -0.36 -0.61 -1.09 -0.77 -4.88 121.20 115.43 1niu s ILE 78 Ca 0.00 1.80 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1niu s ILE 78 Cb 0.00 -4.16 0.10 0.00 -1.58 0.00 0.00 42.46 36.82 1niu s ILE 78 CO 0.00 0.07 1.01 -0.62 -1.23 0.00 0.00 174.94 174.17 1niu n GLU 79 N 4.49 2.35 -1.81 2.79 1.02 -1.26 -4.28 120.64 123.94 1niu n GLU 79 Ca 0.09 -1.53 -0.31 0.00 -0.02 0.00 0.00 57.16 55.39 1niu n GLU 79 Cb 0.48 -1.09 0.03 0.00 -0.02 0.00 0.00 31.44 30.84 1niu n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1niu s ALA 80 N -0.88 2.96 0.45 0.62 0.00 -1.26 -5.01 121.76 118.64 1niu s ALA 80 Ca 0.08 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 1niu s ALA 80 Cb 0.04 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 1niu s ALA 80 CO 0.06 -0.90 1.37 -2.14 0.00 0.00 0.00 175.76 174.14 1niu s PRO 81 N -5.19 3.70 -0.06 0.00 0.02 -1.26 -4.88 135.00 127.33 1niu s PRO 81 Ca 0.56 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1niu s PRO 81 Cb -0.12 -2.62 0.02 0.00 0.02 0.00 0.00 34.50 31.81 1niu s PRO 81 CO 0.54 -0.76 -0.04 0.42 -0.33 0.00 0.00 177.00 176.83 1niu s ILE 82 N -1.25 0.59 -0.16 2.83 1.01 -1.26 -1.00 121.20 121.96 1niu s ILE 82 Ca 0.61 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 1niu s ILE 82 Cb -0.41 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1niu s ILE 82 CO 0.52 0.26 0.02 -0.22 0.00 0.00 0.00 174.94 175.52 1niu s LEU 83 N 1.32 3.59 -0.37 2.97 2.96 -0.39 -0.69 118.68 128.06 1niu s LEU 83 Ca -0.04 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.65 1niu s LEU 83 Cb -0.14 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1niu s LEU 83 CO -0.02 0.20 0.76 -0.69 -1.32 0.00 0.00 176.35 175.28 1niu s VAL 84 N 0.20 4.74 0.10 1.68 1.01 -0.02 -1.40 120.40 126.71 1niu s VAL 84 Ca 0.02 0.79 0.16 0.00 0.00 0.00 0.00 61.98 62.95 1niu s VAL 84 Cb -0.13 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.12 1niu s VAL 84 CO 0.01 -0.45 1.61 -0.07 0.00 0.00 0.00 175.10 176.20 1niu h LEU 85 N 9.74 0.00 0.00 3.92 3.38 -1.20 -2.88 115.31 128.27 1niu h LEU 85 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1niu h LEU 85 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1niu h LEU 85 CO 0.91 0.48 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1niu n GLY 86 N 0.57 1.32 3.93 0.83 0.00 -0.55 -4.83 105.19 106.46 1niu n GLY 86 Ca 0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 1niu n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1niu s ALA 87 N -2.62 3.51 0.20 4.61 0.00 -1.26 -4.37 121.76 121.83 1niu s ALA 87 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1niu s ALA 87 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1niu s ALA 87 CO 0.00 -0.48 0.41 -1.54 0.00 0.00 0.00 175.76 174.14 1niu s SER 88 N -4.20 -0.07 0.12 0.00 1.04 -1.26 -4.63 113.70 104.69 1niu s SER 88 Ca 0.49 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.87 1niu s SER 88 Cb -0.10 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.47 1niu s SER 88 CO 0.42 -1.02 0.69 -0.13 0.98 0.00 0.00 173.24 174.18 1niu s ARG 89 N -3.97 4.42 0.49 4.02 0.52 -1.26 -4.95 118.95 118.22 1niu s ARG 89 Ca 0.18 0.98 0.20 0.00 -0.52 0.00 0.00 55.73 56.57 1niu s ARG 89 Cb 0.01 -3.26 1.24 0.00 0.52 0.00 0.00 34.95 33.46 1niu s ARG 89 CO 0.03 0.57 2.01 -1.35 0.02 0.00 0.00 175.30 176.58 1niu h PRO 90 N 4.55 0.15 0.00 3.54 0.11 -1.96 0.53 132.00 138.92 1niu h PRO 90 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1niu h PRO 90 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1niu h PRO 90 CO 0.65 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1niu n ALA 91 N -2.58 1.66 0.37 -0.75 0.00 -1.26 -2.46 120.51 115.49 1niu n ALA 91 Ca 0.08 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1niu n ALA 91 Cb 0.45 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.74 1niu n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1niu n ASP 92 N -2.03 3.34 0.17 0.00 8.00 0.18 -4.42 116.55 121.79 1niu n ASP 92 Ca 0.02 -1.97 0.05 0.00 0.71 0.00 0.00 54.79 53.60 1niu n ASP 92 Cb 0.21 -0.21 0.50 0.00 -0.02 0.00 0.00 41.12 41.61 1niu n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1niu h ALA 93 N 4.33 1.74 -0.27 2.24 0.00 -1.51 -1.57 119.26 124.22 1niu h ALA 93 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1niu h ALA 93 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1niu h ALA 93 CO 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 179.25 179.15 1niu h ALA 94 N 1.82 0.97 -0.18 0.00 0.00 -1.82 -1.84 119.26 118.21 1niu h ALA 94 Ca 0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1niu h ALA 94 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1niu h ALA 94 CO 0.01 0.60 -0.47 1.25 0.00 0.00 0.00 179.25 180.64 1niu h LEU 95 N 0.49 0.72 -0.86 0.00 6.46 -1.67 -2.49 115.31 117.96 1niu h LEU 95 Ca 0.06 -0.58 0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1niu h LEU 95 Cb 0.76 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 1niu h LEU 95 CO 0.06 1.17 0.56 0.00 -0.62 0.00 0.00 178.44 179.61 1niu h ALA 96 N 0.57 1.10 0.08 1.25 0.00 -1.17 -2.03 119.26 119.07 1niu h ALA 96 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1niu h ALA 96 Cb 1.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1niu h ALA 96 CO 0.10 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1niu h ALA 97 N 1.33 -0.11 -0.33 0.00 0.00 -1.30 0.56 119.26 119.41 1niu h ALA 97 Ca 0.32 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1niu h ALA 97 Cb -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1niu h ALA 97 CO -0.09 -0.48 0.22 0.37 0.00 0.00 0.00 179.25 179.27 1niu h GLN 98 N -0.27 0.30 -0.59 0.00 4.15 -1.30 -1.30 115.11 116.10 1niu h GLN 98 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1niu h GLN 98 Cb 0.23 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1niu h GLN 98 CO 0.02 0.20 0.00 1.04 -1.93 0.00 0.00 178.83 178.16 1niu n GLN 99 N -4.49 2.63 -3.60 1.69 1.13 -0.77 -4.97 117.38 109.00 1niu n GLN 99 Ca 0.03 -2.50 -0.22 0.00 -1.94 0.00 0.00 57.00 52.37 1niu n GLN 99 Cb 0.17 -1.55 0.07 0.00 0.11 0.00 0.00 30.24 29.05 1niu n GLN 99 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1niu n ARG 100 N 1.59 -7.02 -4.03 -1.09 1.74 -0.49 -4.99 116.66 102.36 1niu n ARG 100 Ca 0.22 0.79 -0.35 0.00 -0.77 0.00 0.00 57.85 57.74 1niu n ARG 100 Cb 0.62 -5.77 -0.12 0.00 -1.02 0.00 0.00 32.46 26.17 1niu n ARG 100 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1niu s ILE 101 N -3.36 4.31 0.30 0.55 1.01 0.19 -4.39 121.20 119.80 1niu s ILE 101 Ca 0.37 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1niu s ILE 101 Cb -0.17 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 1niu s ILE 101 CO 0.75 0.43 0.86 0.00 0.00 0.00 0.00 174.94 176.98 1niu s ALA 102 N 0.85 3.27 0.10 9.38 0.00 0.14 -4.39 121.76 131.11 1niu s ALA 102 Ca 0.02 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1niu s ALA 102 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1niu s ALA 102 CO 0.02 0.23 -0.16 -0.51 0.00 0.00 0.00 175.76 175.34 1niu s LEU 103 N -2.13 2.77 0.06 0.00 1.43 -0.66 -0.84 118.68 119.31 1niu s LEU 103 Ca 0.49 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 1niu s LEU 103 Cb -0.17 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1niu s LEU 103 CO 0.22 0.19 0.61 -0.89 0.23 0.00 0.00 176.35 176.71 1niu s THR 104 N -1.13 4.75 0.02 5.49 2.01 -1.09 -0.90 115.64 124.79 1niu s THR 104 Ca 0.18 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.53 1niu s THR 104 Cb -0.11 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1niu s THR 104 CO 0.10 0.50 -0.15 0.54 -0.69 0.00 0.00 174.62 174.92 1niu s VAL 105 N -0.77 1.17 0.00 3.82 0.11 -0.08 -4.82 120.40 119.82 1niu s VAL 105 Ca 0.31 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1niu s VAL 105 Cb -0.20 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1niu s VAL 105 CO 0.19 0.15 0.00 2.22 -3.33 0.00 0.00 175.10 174.33 1niu n PHE 106 N 2.23 0.00 -4.46 1.54 -1.74 -1.26 -4.30 117.46 109.47 1niu n PHE 106 Ca -0.16 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.52 1niu n PHE 106 Cb 0.55 0.01 -0.15 0.00 1.52 0.00 0.00 39.48 41.41 1niu n PHE 106 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1niu s ARG 107 N 0.00 0.98 0.28 3.97 0.52 -1.26 -4.00 118.95 119.45 1niu s ARG 107 Ca 0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 1niu s ARG 107 Cb 0.00 -0.92 0.42 0.00 0.52 0.00 0.00 34.95 34.97 1niu s ARG 107 CO 0.00 0.17 1.67 0.66 0.02 0.00 0.00 175.30 177.83 1niu h SER 108 N 6.15 0.22 0.66 0.23 4.64 -1.95 -2.81 113.55 120.70 1niu h SER 108 Ca -0.33 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1niu h SER 108 Cb 1.17 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1niu h SER 108 CO 0.49 0.66 -0.07 -2.24 -0.87 0.00 0.00 176.83 174.80 1niu h ASP 109 N 0.17 0.00 0.22 4.97 3.04 -1.99 -2.23 116.42 120.59 1niu h ASP 109 Ca 0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.79 1niu h ASP 109 Cb 0.89 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.18 1niu h ASP 109 CO 0.07 0.07 -0.10 -0.25 -2.04 0.00 0.00 179.24 176.98 1niu h TRP 110 N 0.00 -0.27 -0.32 4.15 7.01 -1.93 -2.33 115.95 122.26 1niu h TRP 110 Ca -0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1niu h TRP 110 Cb 0.42 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1niu h TRP 110 CO 0.00 -0.04 0.21 -0.07 -2.79 0.00 0.00 178.44 175.75 1niu h LEU 111 N -0.46 0.37 -1.09 0.65 3.38 -1.57 0.10 115.31 116.70 1niu h LEU 111 Ca -0.03 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1niu h LEU 111 Cb 0.35 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1niu h LEU 111 CO 0.05 0.27 0.61 -0.33 0.09 0.00 0.00 178.44 179.13 1niu h GLU 112 N 0.43 0.80 0.01 1.13 5.08 -1.39 0.28 114.58 120.93 1niu h GLU 112 Ca 0.12 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 1niu h GLU 112 Cb -0.05 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.04 1niu h GLU 112 CO -0.03 0.53 -0.99 1.49 -1.00 0.00 0.00 179.01 179.02 1niu h GLU 113 N 0.83 0.66 -0.50 2.33 4.81 -0.78 -3.16 114.58 118.77 1niu h GLU 113 Ca 0.52 -0.72 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1niu h GLU 113 Cb 0.72 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1niu h GLU 113 CO -0.29 1.30 -0.01 0.00 -0.73 0.00 0.00 179.01 179.28 1niu h ALA 114 N 0.38 1.04 -0.92 2.92 0.00 0.04 -2.96 119.26 119.77 1niu h ALA 114 Ca -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1niu h ALA 114 Cb 1.65 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1niu h ALA 114 CO 0.19 0.59 0.61 0.77 0.00 0.00 0.00 179.25 181.42 1niu h SER 115 N 0.78 1.04 0.30 0.00 0.02 -0.52 0.11 113.55 115.29 1niu h SER 115 Ca 0.15 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1niu h SER 115 Cb 0.48 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1niu h SER 115 CO 0.02 0.74 -0.42 0.00 -1.14 0.00 0.00 176.83 176.04 1niu h ALA 116 N 1.35 1.18 0.02 3.77 0.00 -1.48 -3.27 119.26 120.83 1niu h ALA 116 Ca 0.35 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1niu h ALA 116 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1niu h ALA 116 CO -0.09 0.57 -1.53 -0.07 0.00 0.00 0.00 179.25 178.13 1niu h LEU 117 N 0.13 0.08 -8.61 0.00 3.38 -1.30 -3.46 115.31 105.53 1niu h LEU 117 Ca 0.01 -0.13 -0.66 0.00 0.09 0.00 0.00 57.88 57.19 1niu h LEU 117 Cb 0.79 -0.02 -0.27 0.00 0.09 0.00 0.00 40.66 41.25 1niu h LEU 117 CO 0.06 1.11 -0.78 -0.47 0.09 0.00 0.00 178.44 178.45 1niu s TYR 118 N -2.63 2.77 -0.01 1.13 5.04 0.33 -4.98 117.35 119.00 1niu s TYR 118 Ca -0.05 -0.65 0.03 0.00 -2.44 0.00 0.00 57.07 53.97 1niu s TYR 118 Cb 0.08 -1.81 -0.05 0.00 0.35 0.00 0.00 41.96 40.53 1niu s TYR 118 CO 0.82 -0.20 0.07 -1.13 -1.34 0.00 0.00 175.55 173.78 1niu n SER 119 N 3.42 4.04 0.00 4.32 3.41 -1.26 -4.68 113.62 122.87 1niu n SER 119 Ca -0.18 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1niu n SER 119 Cb 0.53 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 1niu n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1niu n GLY 120 N 2.25 -0.31 0.00 5.00 0.00 -1.26 -4.84 105.19 106.03 1niu n GLY 120 Ca -0.01 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1niu n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1niu n PRO 121 N 0.00 0.03 -2.81 1.61 -0.04 -1.26 -5.08 135.00 127.44 1niu n PRO 121 Ca 0.00 -0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 1niu n PRO 121 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1niu n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1niu s PHE 122 N -3.02 3.33 0.41 0.54 0.40 -1.26 -5.04 117.98 113.34 1niu s PHE 122 Ca 0.08 1.62 -0.10 0.00 -0.60 0.00 0.00 56.93 57.93 1niu s PHE 122 Cb 0.16 -2.86 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 1niu s PHE 122 CO 0.82 -0.09 0.77 -1.25 0.70 0.00 0.00 175.22 176.17 1niu s PRO 123 N -3.11 3.77 -0.17 0.24 0.04 -1.26 -4.87 135.00 129.64 1niu s PRO 123 Ca 0.61 0.46 0.01 0.00 0.04 0.00 0.00 61.00 62.13 1niu s PRO 123 Cb -0.10 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1niu s PRO 123 CO 0.14 -0.05 -0.19 0.42 0.04 0.00 0.00 177.00 177.36 1niu s ILE 124 N -2.39 2.16 -0.21 0.56 1.01 0.98 -4.77 121.20 118.55 1niu s ILE 124 Ca 0.51 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 1niu s ILE 124 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1niu s ILE 124 CO 0.32 0.53 0.59 -1.00 0.00 0.00 0.00 174.94 175.38 1niu s HIS 125 N 1.17 3.36 0.02 3.97 3.76 -1.26 -1.53 115.29 124.77 1niu s HIS 125 Ca 0.02 0.86 0.02 0.00 -0.15 0.00 0.00 55.06 55.80 1niu s HIS 125 Cb -0.14 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1niu s HIS 125 CO -0.09 -0.17 0.01 -0.06 -0.85 0.00 0.00 174.74 173.58 1niu s PHE 126 N 1.88 3.07 -0.19 1.40 0.08 0.36 -1.65 117.98 122.92 1niu s PHE 126 Ca 0.27 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.39 1niu s PHE 126 Cb -0.16 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1niu s PHE 126 CO 0.10 0.47 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.50 1niu s HIS 127 N -1.14 2.73 0.00 0.36 3.76 -0.08 -1.43 115.29 119.50 1niu s HIS 127 Ca 0.21 -1.67 0.00 0.00 -0.15 0.00 0.00 55.06 53.45 1niu s HIS 127 Cb -0.12 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1niu s HIS 127 CO 0.12 -0.80 0.00 -0.11 -0.85 0.00 0.00 174.74 173.11 1niu n LEU 128 N 4.62 0.00 -3.75 0.89 7.94 -0.27 -0.90 117.00 125.53 1niu n LEU 128 Ca -0.19 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.57 1niu n LEU 128 Cb 0.49 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.35 1niu n LEU 128 CO 0.24 0.00 0.05 -0.04 -1.11 0.00 0.00 177.39 176.53 1niu s MET 130 N 0.12 0.67 -0.39 1.96 1.00 1.17 -0.91 119.30 122.92 1niu s MET 130 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 55.69 55.36 1niu s MET 130 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.14 1niu s MET 130 CO 0.00 -0.18 0.72 0.34 0.00 0.00 0.00 175.02 175.90 1niu s ASP 131 N -1.20 6.46 -0.15 3.03 -1.08 -0.29 -4.34 116.67 119.09 1niu s ASP 131 Ca -0.12 0.11 0.16 0.00 -0.52 0.00 0.00 52.55 52.17 1niu s ASP 131 Cb -0.05 -2.36 0.55 0.00 -1.46 0.00 0.00 42.92 39.60 1niu s ASP 131 CO 0.04 -0.73 1.46 0.35 0.52 0.00 0.00 175.17 176.81 1niu n THR 132 N 5.81 2.12 0.00 1.71 -2.24 -1.26 -4.69 114.28 115.73 1niu n THR 132 Ca 0.01 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 1niu n THR 132 Cb 0.48 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1niu n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1niu n GLY 133 N -0.07 1.04 0.09 3.38 0.00 -1.26 -4.42 105.19 103.96 1niu n GLY 133 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 1niu n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1niu n MET 134 N 0.00 0.67 -1.01 1.61 0.00 -1.26 -4.85 117.12 112.28 1niu n MET 134 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 57.70 57.74 1niu n MET 134 Cb 0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 33.22 31.63 1niu n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1niu n GLY 135 N 1.65 0.33 0.00 -5.12 0.00 -1.26 -4.94 105.19 95.84 1niu n GLY 135 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1niu n GLY 135 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1niu n ARG 136 N -1.35 0.00 -4.40 1.61 0.63 -1.26 -5.05 116.66 106.84 1niu n ARG 136 Ca -0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.67 1niu n ARG 136 Cb 0.22 -0.05 -0.09 0.00 0.45 0.00 0.00 32.46 32.99 1niu n ARG 136 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1niu s LEU 137 N -0.41 2.93 0.00 6.15 1.43 -1.26 -5.11 118.68 122.41 1niu s LEU 137 Ca 0.00 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1niu s LEU 137 Cb 0.00 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1niu s LEU 137 CO 0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1niu n GLY 138 N -0.96 3.60 3.85 -3.19 0.00 -1.26 -4.22 105.19 103.01 1niu n GLY 138 Ca -0.04 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1niu n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1niu s VAL 139 N -2.54 4.88 0.00 1.61 0.11 -1.26 -4.52 120.40 118.69 1niu s VAL 139 Ca 0.00 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1niu s VAL 139 Cb 0.00 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1niu s VAL 139 CO 0.00 0.19 0.00 0.29 -3.33 0.00 0.00 175.10 172.25 1niu n LYS 140 N 0.65 3.11 -3.91 1.54 5.02 -1.26 -1.14 118.16 122.17 1niu n LYS 140 Ca -0.04 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1niu n LYS 140 Cb 0.52 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.51 1niu n LYS 140 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1niu s ASP 141 N -2.73 5.63 0.07 4.39 1.47 -1.26 -5.02 116.67 119.22 1niu s ASP 141 Ca 0.00 -0.27 -0.19 0.00 1.18 0.00 0.00 52.55 53.26 1niu s ASP 141 Cb 0.00 -1.31 -0.10 0.00 -0.34 0.00 0.00 42.92 41.17 1niu s ASP 141 CO 0.00 -0.20 1.48 -0.08 0.68 0.00 0.00 175.17 177.05 1niu h GLU 142 N 1.28 0.38 0.00 2.11 4.81 -2.00 -2.99 114.58 118.17 1niu h GLU 142 Ca -0.47 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1niu h GLU 142 Cb 1.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1niu h GLU 142 CO 0.59 0.60 0.00 0.39 -0.73 0.00 0.00 179.01 179.86 1niu n GLU 143 N -4.65 0.20 0.09 1.92 -0.58 -1.26 -2.06 120.64 114.30 1niu n GLU 143 Ca -0.04 0.07 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 1niu n GLU 143 Cb 0.26 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.48 1niu n GLU 143 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1niu h GLU 144 N 0.00 0.40 0.22 3.49 4.39 -1.97 -2.98 114.58 118.13 1niu h GLU 144 Ca 0.00 -0.69 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 1niu h GLU 144 Cb 0.31 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1niu h GLU 144 CO 0.00 1.31 -0.11 1.15 -1.16 0.00 0.00 179.01 180.20 1niu h THR 145 N 0.11 0.79 -0.72 1.13 2.02 -1.32 -1.94 112.91 112.98 1niu h THR 145 Ca -0.29 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1niu h THR 145 Cb 2.10 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 1niu h THR 145 CO 0.20 0.01 0.47 0.11 0.37 0.00 0.00 175.52 176.69 1niu h LYS 146 N -0.32 0.81 -0.30 6.66 1.57 -1.53 -0.84 116.57 122.62 1niu h LYS 146 Ca -0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1niu h LYS 146 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1niu h LYS 146 CO 0.05 0.54 -0.25 -0.09 -0.57 0.00 0.00 179.45 179.13 1niu h ARG 147 N 0.84 0.59 0.07 3.15 1.12 -1.34 0.33 114.38 119.14 1niu h ARG 147 Ca 0.29 -0.23 -0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1niu h ARG 147 Cb 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1niu h ARG 147 CO -0.09 0.79 -0.03 0.82 -3.11 0.00 0.00 179.97 178.35 1niu h ILE 148 N 0.52 1.21 -0.49 1.20 2.04 -0.55 -1.12 117.51 120.32 1niu h ILE 148 Ca 0.07 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.90 1niu h ILE 148 Cb 0.71 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.64 1niu h ILE 148 CO 0.05 0.27 0.15 0.58 0.00 0.00 0.00 178.15 179.20 1niu h VAL 149 N -0.61 0.79 -0.75 1.67 2.07 -1.10 -1.00 116.25 117.31 1niu h VAL 149 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1niu h VAL 149 Cb 0.51 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1niu h VAL 149 CO 0.02 0.06 0.43 0.00 0.02 0.00 0.00 177.57 178.09 1niu h ALA 150 N 1.35 0.96 0.00 1.67 0.00 -0.92 0.11 119.26 122.43 1niu h ALA 150 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1niu h ALA 150 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1niu h ALA 150 CO -0.27 0.46 -0.34 -0.07 0.00 0.00 0.00 179.25 179.03 1niu h LEU 151 N 1.04 0.00 0.05 0.00 3.38 -0.47 -1.52 115.31 117.78 1niu h LEU 151 Ca 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1niu h LEU 151 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1niu h LEU 151 CO -0.05 0.34 -0.32 0.40 0.09 0.00 0.00 178.44 178.90 1niu h ILE 152 N 0.00 1.67 -0.72 1.22 2.04 -0.71 -3.18 117.51 117.83 1niu h ILE 152 Ca -0.00 -2.41 0.09 0.00 1.00 0.00 0.00 64.86 63.54 1niu h ILE 152 Cb 0.62 3.30 -0.07 0.00 -0.74 0.00 0.00 36.82 39.93 1niu h ILE 152 CO 0.04 0.64 0.36 -0.08 0.00 0.00 0.00 178.15 179.11 1niu h GLU 153 N -0.78 0.59 0.00 2.37 4.57 -0.76 -2.50 114.58 118.08 1niu h GLU 153 Ca -0.06 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1niu h GLU 153 Cb 1.23 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1niu h GLU 153 CO 0.05 0.39 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.06 1niu h ARG 154 N 0.61 0.00 -5.42 1.92 2.43 -1.38 -3.43 114.38 109.11 1niu h ARG 154 Ca 0.35 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.93 1niu h ARG 154 Cb 0.37 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 1niu h ARG 154 CO -0.27 0.12 -0.34 -1.58 -1.51 0.00 0.00 179.97 176.39 1niu s HIS 155 N -4.20 3.43 0.50 2.20 2.46 -0.94 -5.00 115.29 113.74 1niu s HIS 155 Ca -0.03 0.53 0.15 0.00 0.47 0.00 0.00 55.06 56.19 1niu s HIS 155 Cb 0.13 -2.34 1.21 0.00 -0.13 0.00 0.00 32.58 31.45 1niu s HIS 155 CO 0.59 0.19 2.12 -1.00 -2.47 0.00 0.00 174.74 174.16 1niu h PRO 156 N 6.87 0.09 -0.02 2.88 0.13 -1.84 -3.06 132.00 137.04 1niu h PRO 156 Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1niu h PRO 156 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1niu h PRO 156 CO 0.74 0.06 -0.01 0.72 -0.23 0.00 0.00 178.00 179.28 1niu n HIS 157 N -4.52 0.00 -3.39 1.56 8.25 -1.26 -4.93 115.22 110.93 1niu n HIS 157 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1niu n HIS 157 Cb 0.14 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.18 1niu n HIS 157 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1niu s PHE 158 N -1.66 3.46 -0.05 4.41 0.08 -1.16 -0.01 117.98 123.05 1niu s PHE 158 Ca 0.23 0.74 0.03 0.00 0.12 0.00 0.00 56.93 58.04 1niu s PHE 158 Cb 0.16 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1niu s PHE 158 CO 0.25 0.14 -0.13 0.08 -0.10 0.00 0.00 175.22 175.46 1niu s VAL 159 N 0.76 1.14 -0.63 -0.44 1.01 -0.59 -4.70 120.40 116.96 1niu s VAL 159 Ca 0.21 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1niu s VAL 159 Cb -0.14 -1.01 0.11 0.00 0.00 0.00 0.00 36.38 35.33 1niu s VAL 159 CO 0.08 0.35 0.76 -0.22 0.00 0.00 0.00 175.10 176.06 1niu s LEU 160 N 0.35 5.32 0.04 3.92 2.96 -1.26 -0.49 118.68 129.52 1niu s LEU 160 Ca -0.08 -1.47 0.02 0.00 -0.22 0.00 0.00 54.13 52.37 1niu s LEU 160 Cb -0.13 -2.32 -0.25 0.00 0.50 0.00 0.00 46.19 43.99 1niu s LEU 160 CO 0.02 -1.13 1.00 -0.08 -1.32 0.00 0.00 176.35 174.85 1niu h GLU 161 N 9.15 0.15 0.00 1.98 4.81 -1.59 -3.43 114.58 125.65 1niu h GLU 161 Ca -0.25 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1niu h GLU 161 Cb 1.08 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1niu h GLU 161 CO 1.10 1.01 0.21 0.41 -0.73 0.00 0.00 179.01 181.01 1niu n GLY 162 N 1.54 1.22 3.43 1.92 0.00 -1.07 -1.86 105.19 110.37 1niu n GLY 162 Ca -0.10 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 1niu n GLY 162 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1niu s LEU 163 N 0.00 -0.10 0.30 0.99 2.34 -0.71 -1.12 118.68 120.39 1niu s LEU 163 Ca 0.14 0.64 -0.15 0.00 0.06 0.00 0.00 54.13 54.82 1niu s LEU 163 Cb -0.04 2.02 0.02 0.00 -0.56 0.00 0.00 46.19 47.63 1niu s LEU 163 CO 0.10 -0.46 0.62 -0.72 -1.06 0.00 0.00 176.35 174.84 1niu s TYR 164 N -0.86 0.21 0.23 3.48 1.13 -0.09 -2.40 117.35 119.05 1niu s TYR 164 Ca -0.09 -0.66 -0.00 0.00 -1.41 0.00 0.00 57.07 54.91 1niu s TYR 164 Cb -0.03 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1niu s TYR 164 CO 0.06 -1.21 0.18 -0.08 -2.51 0.00 0.00 175.55 171.98 1niu s THR 165 N -3.51 0.00 -0.02 -3.49 -1.32 -1.12 0.37 115.64 106.55 1niu s THR 165 Ca 0.18 -1.97 0.01 0.00 -1.21 0.00 0.00 61.69 58.71 1niu s THR 165 Cb -0.03 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1niu s THR 165 CO 0.10 0.00 -0.03 -2.28 -2.21 0.00 0.00 174.62 170.20 1niu s HIS 166 N -4.01 0.50 -0.07 9.09 2.46 -1.26 -4.29 115.29 117.71 1niu s HIS 166 Ca 0.38 -0.09 -0.22 0.00 0.47 0.00 0.00 55.06 55.60 1niu s HIS 166 Cb 0.06 -0.43 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 1niu s HIS 166 CO 0.15 -0.09 0.66 -0.06 -2.47 0.00 0.00 174.74 172.92 1niu s PHE 167 N 0.51 3.57 0.03 3.88 0.08 -1.26 -4.67 117.98 120.13 1niu s PHE 167 Ca -0.06 1.19 0.12 0.00 0.12 0.00 0.00 56.93 58.30 1niu s PHE 167 Cb -0.09 -2.75 0.09 0.00 -0.57 0.00 0.00 43.02 39.69 1niu s PHE 167 CO -0.00 0.12 1.44 0.00 -0.10 0.00 0.00 175.22 176.68 1niu h ALA 168 N 6.68 0.63 -0.01 5.36 0.00 -1.96 -3.38 119.26 126.60 1niu h ALA 168 Ca -0.41 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 1niu h ALA 168 Cb 1.19 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 1niu h ALA 168 CO 0.75 0.84 -0.76 0.25 0.00 0.00 0.00 179.25 180.34 1niu n THR 169 N -3.37 1.19 0.32 0.00 -2.24 -1.26 -4.81 114.28 104.10 1niu n THR 169 Ca 0.01 -2.22 0.20 0.00 -2.27 0.00 0.00 64.05 59.77 1niu n THR 169 Cb 0.76 0.33 1.02 0.00 -2.10 0.00 0.00 70.33 70.35 1niu n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1niu h ALA 170 N 1.02 1.03 -0.00 6.98 0.00 -1.95 -1.49 119.26 124.85 1niu h ALA 170 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1niu h ALA 170 Cb 1.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1niu h ALA 170 CO 0.05 0.01 -0.32 -0.40 0.00 0.00 0.00 179.25 178.60 1niu n ASP 171 N -3.14 0.61 -4.71 0.00 5.75 -1.26 -4.50 116.55 109.30 1niu n ASP 171 Ca -0.02 -0.43 -0.41 0.00 -0.01 0.00 0.00 54.79 53.93 1niu n ASP 171 Cb 0.15 0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 1niu n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1niu s GLU 172 N -2.76 4.48 0.27 0.11 2.02 -0.56 -4.16 118.70 118.09 1niu s GLU 172 Ca 0.18 1.10 -0.00 0.00 0.02 0.00 0.00 54.97 56.27 1niu s GLU 172 Cb 0.19 -3.46 0.60 0.00 0.10 0.00 0.00 34.13 31.56 1niu s GLU 172 CO 0.59 -0.00 1.69 0.28 0.02 0.00 0.00 175.26 177.84 1niu h VAL 173 N 4.80 0.48 -2.92 2.63 2.07 -1.89 -3.35 116.25 118.07 1niu h VAL 173 Ca -0.40 -0.11 -0.56 0.00 0.82 0.00 0.00 66.70 66.44 1niu h VAL 173 Cb 1.20 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1niu h VAL 173 CO 0.76 0.06 1.14 0.21 0.02 0.00 0.00 177.57 179.76 1niu s ASN 174 N -5.21 6.10 -0.08 0.57 3.84 -1.26 -4.89 114.94 114.01 1niu s ASN 174 Ca -0.12 0.70 0.07 0.00 0.21 0.00 0.00 52.86 53.72 1niu s ASN 174 Cb 0.23 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.75 1niu s ASN 174 CO 0.77 -1.65 1.10 0.35 -2.79 0.00 0.00 177.10 174.88 1niu n THR 175 N 7.09 1.07 0.04 -5.21 -2.24 -1.26 -4.48 114.28 109.30 1niu n THR 175 Ca 0.17 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1niu n THR 175 Cb 0.48 -0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1niu n THR 175 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1niu h ASP 176 N 1.82 0.48 1.05 3.42 5.19 -1.92 -0.58 116.42 125.88 1niu h ASP 176 Ca 0.00 -0.29 -0.19 0.00 -0.62 0.00 0.00 57.03 55.93 1niu h ASP 176 Cb 1.01 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.35 1niu h ASP 176 CO 0.17 1.00 -0.98 0.22 -3.12 0.00 0.00 179.24 176.54 1niu h TYR 177 N 0.30 0.00 -0.11 4.55 3.20 -1.95 -3.06 116.97 119.91 1niu h TYR 177 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1niu h TYR 177 Cb 1.20 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1niu h TYR 177 CO 0.04 0.87 0.06 0.35 -1.64 0.00 0.00 178.16 177.84 1niu h PHE 178 N 0.00 0.15 0.00 -3.82 3.57 -1.81 -1.44 116.94 113.59 1niu h PHE 178 Ca -0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1niu h PHE 178 Cb 1.70 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.39 1niu h PHE 178 CO 0.00 0.16 -0.16 0.77 -2.23 0.00 0.00 178.31 176.85 1niu h SER 179 N 0.10 0.00 -0.17 0.41 0.02 -1.15 0.38 113.55 113.14 1niu h SER 179 Ca 0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 1niu h SER 179 Cb 0.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.60 1niu h SER 179 CO -0.01 0.16 -0.72 0.22 -1.14 0.00 0.00 176.83 175.34 1niu h TYR 180 N 0.00 1.07 -0.25 3.45 3.20 -1.31 -2.43 116.97 120.70 1niu h TYR 180 Ca -0.00 -0.45 -0.16 0.00 3.14 0.00 0.00 58.73 61.26 1niu h TYR 180 Cb 0.38 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1niu h TYR 180 CO 0.00 1.28 -0.45 1.96 -1.64 0.00 0.00 178.16 179.32 1niu h GLN 181 N 0.57 0.75 -0.68 1.82 4.20 -0.72 -1.42 115.11 119.62 1niu h GLN 181 Ca -0.04 -0.47 0.01 0.00 0.06 0.00 0.00 58.65 58.22 1niu h GLN 181 Cb 1.35 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 1niu h GLN 181 CO 0.15 1.10 0.45 -0.92 -0.67 0.00 0.00 178.83 178.93 1niu h TYR 182 N 0.49 0.85 -0.46 2.96 3.20 -0.98 -1.09 116.97 121.93 1niu h TYR 182 Ca 0.02 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 1niu h TYR 182 Cb 1.05 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1niu h TYR 182 CO 0.08 0.52 -0.17 1.15 -1.64 0.00 0.00 178.16 178.11 1niu h THR 183 N 0.91 1.27 -0.80 1.81 2.02 -1.40 -2.24 112.91 114.47 1niu h THR 183 Ca 0.26 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1niu h THR 183 Cb -0.08 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1niu h THR 183 CO -0.07 0.45 0.41 -0.09 0.37 0.00 0.00 175.52 176.60 1niu h ARG 184 N 0.76 1.14 0.44 6.66 1.12 -1.00 -2.73 114.38 120.76 1niu h ARG 184 Ca 0.11 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1niu h ARG 184 Cb 0.73 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1niu h ARG 184 CO 0.06 0.86 -0.21 0.35 -3.11 0.00 0.00 179.97 177.92 1niu h PHE 185 N 1.13 -0.54 -0.93 2.20 3.57 -1.05 -1.07 116.94 120.24 1niu h PHE 185 Ca 0.28 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 62.04 1niu h PHE 185 Cb 0.07 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1niu h PHE 185 CO 0.01 -0.26 0.67 -0.07 -2.23 0.00 0.00 178.31 176.43 1niu h LEU 186 N -0.75 0.00 0.13 0.59 3.38 -1.33 -0.32 115.31 117.01 1niu h LEU 186 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1niu h LEU 186 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 1niu h LEU 186 CO 0.10 0.00 -0.81 -0.74 0.09 0.00 0.00 178.44 177.08 1niu h HIS 187 N 0.00 0.57 0.00 1.13 2.76 -1.21 -3.30 115.15 115.10 1niu h HIS 187 Ca 0.44 -0.40 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 1niu h HIS 187 Cb 1.78 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.71 1niu h HIS 187 CO 0.00 1.30 -0.26 0.52 -1.30 0.00 0.00 177.93 178.19 1niu h MET 188 N -0.31 0.00 0.00 5.26 2.86 0.20 -2.59 114.93 120.35 1niu h MET 188 Ca -0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1niu h MET 188 Cb 1.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.28 1niu h MET 188 CO 0.15 0.26 -0.01 -0.07 1.06 0.00 0.00 176.91 178.30 1niu h LEU 189 N 0.00 0.00 -0.10 1.22 3.38 -1.21 -1.78 115.31 116.82 1niu h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1niu h LEU 189 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1niu h LEU 189 CO 0.03 0.01 -0.06 -0.62 0.09 0.00 0.00 178.44 177.89 1niu n GLU 190 N -3.21 0.53 0.00 1.13 -0.58 -0.97 -3.06 120.64 114.47 1niu n GLU 190 Ca -0.03 -0.10 0.14 0.00 -0.42 0.00 0.00 57.16 56.75 1niu n GLU 190 Cb 0.10 -1.50 0.55 0.00 -0.57 0.00 0.00 31.44 30.03 1niu n GLU 190 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1niu n TRP 191 N -1.15 0.00 -3.63 -0.32 8.01 -0.67 -4.76 117.44 114.92 1niu n TRP 191 Ca 0.14 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.96 1niu n TRP 191 Cb 0.26 -0.28 -0.06 0.00 -2.01 0.00 0.00 31.31 29.22 1niu n TRP 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1niu s LEU 192 N -2.71 4.38 0.05 -0.99 1.43 -1.17 -4.67 118.68 115.00 1niu s LEU 192 Ca 0.22 0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 53.75 1niu s LEU 192 Cb 0.19 -2.36 -0.17 0.00 0.03 0.00 0.00 46.19 43.89 1niu s LEU 192 CO 0.53 0.29 1.56 1.55 0.23 0.00 0.00 176.35 180.50 1niu h PRO 193 N 5.37 0.01 -5.55 1.29 0.13 -1.88 -3.43 132.00 127.94 1niu h PRO 193 Ca -0.50 -0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 1niu h PRO 193 Cb 1.21 -0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 1niu h PRO 193 CO 0.64 0.20 -0.84 0.45 -0.23 0.00 0.00 178.00 178.23 1niu s SER 194 N -5.40 2.08 -0.11 1.44 0.15 -1.26 -5.10 113.70 105.50 1niu s SER 194 Ca -0.14 -0.33 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 1niu s SER 194 Cb 0.04 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1niu s SER 194 CO 0.67 0.19 1.48 -0.60 1.20 0.00 0.00 173.24 176.18 1niu s ARG 195 N -0.26 4.18 1.00 5.44 3.52 -1.26 -5.00 118.95 126.56 1niu s ARG 195 Ca 0.03 1.92 -0.12 0.00 -0.13 0.00 0.00 55.73 57.44 1niu s ARG 195 Cb -0.08 -3.89 0.19 0.00 -1.56 0.00 0.00 34.95 29.61 1niu s ARG 195 CO 0.00 -0.82 1.08 -2.14 -0.81 0.00 0.00 175.30 172.62 1niu s PRO 196 N 3.85 0.37 0.57 5.12 0.02 -1.26 -4.93 135.00 138.73 1niu s PRO 196 Ca 0.65 0.98 0.27 0.00 0.02 0.00 0.00 61.00 62.92 1niu s PRO 196 Cb -0.28 -1.69 1.70 0.00 0.02 0.00 0.00 34.50 34.25 1niu s PRO 196 CO 0.23 -2.89 2.23 -1.00 -0.33 0.00 0.00 177.00 175.23 1niu h PRO 197 N -2.03 0.00 -4.32 5.54 0.13 -1.83 -3.40 132.00 126.10 1niu h PRO 197 Ca -0.53 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.99 1niu h PRO 197 Cb 1.30 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 1niu h PRO 197 CO 0.50 0.01 -0.78 -0.51 -0.23 0.00 0.00 178.00 176.99 1niu s LEU 198 N -7.92 2.58 -0.20 1.56 1.43 -0.78 -4.97 118.68 110.38 1niu s LEU 198 Ca -0.05 -1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 51.83 1niu s LEU 198 Cb 0.15 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1niu s LEU 198 CO 0.57 -0.25 -0.10 -0.69 0.23 0.00 0.00 176.35 176.12 1niu s VAL 199 N 1.40 2.88 0.06 -1.59 1.01 -1.26 -1.73 120.40 121.17 1niu s VAL 199 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1niu s VAL 199 Cb -0.19 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1niu s VAL 199 CO -0.07 0.47 -0.09 -1.38 0.00 0.00 0.00 175.10 174.03 1niu s HIS 200 N 1.40 0.82 0.00 5.22 -3.43 -1.01 -2.35 115.29 115.95 1niu s HIS 200 Ca 0.05 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 1niu s HIS 200 Cb -0.14 -0.48 0.00 0.00 -1.43 0.00 0.00 32.58 30.54 1niu s HIS 200 CO -0.07 -0.06 0.00 0.00 -2.00 0.00 0.00 174.74 172.61 1niu s ALA 202 N -1.00 3.25 0.17 0.00 0.00 -1.26 -4.19 121.76 118.73 1niu s ALA 202 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1niu s ALA 202 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1niu s ALA 202 CO 0.00 -0.12 0.00 0.27 0.00 0.00 0.00 175.76 175.91 1niu n ASN 203 N 3.05 0.00 -0.33 0.00 0.23 -1.26 -1.52 115.26 115.43 1niu n ASN 203 Ca 0.04 -0.73 0.03 0.00 -0.53 0.00 0.00 54.58 53.38 1niu n ASN 203 Cb 0.49 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 1niu n ASN 203 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1niu h SER 204 N 0.00 0.89 0.48 0.53 0.02 -1.92 -2.47 113.55 111.08 1niu h SER 204 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1niu h SER 204 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1niu h SER 204 CO 0.00 0.54 -0.23 0.00 -1.14 0.00 0.00 176.83 176.00 1niu h ALA 205 N 1.45 -0.65 0.00 3.77 0.00 -1.91 -2.21 119.26 119.72 1niu h ALA 205 Ca 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1niu h ALA 205 Cb 0.26 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1niu h ALA 205 CO -0.20 -0.81 -0.15 0.00 0.00 0.00 0.00 179.25 178.09 1niu h ALA 206 N -0.30 1.08 0.00 0.00 0.00 -1.77 -1.07 119.26 117.20 1niu h ALA 206 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1niu h ALA 206 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1niu h ALA 206 CO 0.11 0.19 -0.88 0.66 0.00 0.00 0.00 179.25 179.33 1niu h SER 207 N 0.00 0.00 0.62 0.00 4.64 -1.40 -0.49 113.55 116.91 1niu h SER 207 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1niu h SER 207 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1niu h SER 207 CO 0.02 0.73 -1.08 0.18 -0.87 0.00 0.00 176.83 175.80 1niu n LEU 208 N -3.22 0.63 -0.09 5.97 4.77 -0.84 -3.30 117.00 120.93 1niu n LEU 208 Ca -0.01 0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 1niu n LEU 208 Cb 0.84 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.73 1niu n LEU 208 CO 0.43 -0.05 -1.12 0.54 -1.33 0.00 0.00 177.39 175.87 1niu n ARG 209 N -2.25 0.67 -3.15 3.23 1.74 -0.43 -4.35 116.66 112.12 1niu n ARG 209 Ca 0.01 0.24 -0.23 0.00 -0.77 0.00 0.00 57.85 57.10 1niu n ARG 209 Cb 0.49 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1niu n ARG 209 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1niu n PHE 210 N -3.57 1.70 0.33 -1.55 3.72 -0.19 -4.98 117.46 112.91 1niu n PHE 210 Ca -0.41 -3.87 0.15 0.00 -0.05 0.00 0.00 57.45 53.26 1niu n PHE 210 Cb 0.97 -0.45 0.79 0.00 -0.94 0.00 0.00 39.48 39.85 1niu n PHE 210 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1niu h PRO 211 N 3.37 0.00 0.00 -1.08 0.13 -1.67 -1.53 132.00 131.22 1niu h PRO 211 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1niu h PRO 211 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1niu h PRO 211 CO 0.63 0.00 -1.11 -0.44 -0.23 0.00 0.00 178.00 176.86 1niu h ASP 212 N 0.00 0.00 -1.75 1.44 5.19 -1.91 -3.34 116.42 116.05 1niu h ASP 212 Ca 0.00 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.68 1niu h ASP 212 Cb 0.66 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 39.91 1niu h ASP 212 CO 0.00 0.29 0.99 0.54 -3.12 0.00 0.00 179.24 177.94 1niu n ARG 213 N -2.83 2.71 -0.10 3.56 1.74 -0.57 -4.24 116.66 116.92 1niu n ARG 213 Ca -0.04 -3.39 0.06 0.00 -0.77 0.00 0.00 57.85 53.71 1niu n ARG 213 Cb 0.69 -2.26 0.08 0.00 -1.02 0.00 0.00 32.46 29.96 1niu n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1niu n THR 214 N -0.52 1.36 -0.53 0.55 -2.24 -1.25 -4.85 114.28 106.80 1niu n THR 214 Ca 0.55 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1niu n THR 214 Cb 0.33 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1niu n THR 214 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1niu n PHE 215 N -0.98 0.00 -0.78 4.78 3.72 -1.26 -2.87 117.46 120.07 1niu n PHE 215 Ca 0.10 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.57 1niu n PHE 215 Cb 0.55 0.01 0.24 0.00 -0.94 0.00 0.00 39.48 39.34 1niu n PHE 215 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1niu n ASN 216 N 1.11 3.75 -3.65 4.37 2.04 -0.99 -4.87 115.26 117.01 1niu n ASN 216 Ca 0.00 -2.75 -0.09 0.00 -0.44 0.00 0.00 54.58 51.31 1niu n ASN 216 Cb 0.00 -0.47 -0.08 0.00 -2.53 0.00 0.00 39.78 36.70 1niu n ASN 216 CO 0.00 0.00 0.00 -0.32 -0.44 0.00 0.00 177.26 176.50 1niu s MET 217 N -2.34 0.65 -0.12 -3.83 0.00 -1.14 -1.90 119.30 110.61 1niu s MET 217 Ca 0.38 1.08 -0.02 0.00 0.00 0.00 0.00 55.69 57.14 1niu s MET 217 Cb 0.29 0.14 -0.03 0.00 0.00 0.00 0.00 34.83 35.23 1niu s MET 217 CO 0.11 -0.14 -0.05 0.08 0.00 0.00 0.00 175.02 175.02 1niu s VAL 218 N 1.40 3.81 -0.36 10.11 1.01 -0.74 -4.18 120.40 131.45 1niu s VAL 218 Ca -0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1niu s VAL 218 Cb -0.06 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1niu s VAL 218 CO -0.15 0.54 0.32 -0.13 0.00 0.00 0.00 175.10 175.68 1niu s ARG 219 N -0.10 3.43 -0.32 2.72 0.52 -0.57 -0.42 118.95 124.21 1niu s ARG 219 Ca 0.02 -0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 1niu s ARG 219 Cb -0.13 -3.84 0.02 0.00 0.52 0.00 0.00 34.95 31.51 1niu s ARG 219 CO 0.03 -0.56 0.12 0.12 0.02 0.00 0.00 175.30 175.03 1niu s PHE 220 N 1.90 3.19 0.00 -0.53 5.36 0.60 -3.19 117.98 125.30 1niu s PHE 220 Ca 0.09 -1.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.07 1niu s PHE 220 Cb -0.17 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 1niu s PHE 220 CO 0.11 -0.60 0.00 0.41 -1.46 0.00 0.00 175.22 173.68 1niu n GLY 221 N 4.90 0.82 0.32 13.12 0.00 -1.26 -0.54 105.19 122.55 1niu n GLY 221 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.06 1niu n GLY 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1niu h ILE 222 N 0.00 0.22 0.00 -0.61 6.09 -1.91 0.26 117.51 121.57 1niu h ILE 222 Ca 0.00 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 1niu h ILE 222 Cb 0.00 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 37.33 1niu h ILE 222 CO 0.00 0.03 -0.09 0.00 -3.07 0.00 0.00 178.15 175.02 1niu h ALA 223 N 1.86 1.18 -0.62 0.18 0.00 -1.91 -2.26 119.26 117.68 1niu h ALA 223 Ca 0.63 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.39 1niu h ALA 223 Cb 1.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1niu h ALA 223 CO -0.71 0.12 0.13 1.98 0.00 0.00 0.00 179.25 180.77 1niu h MET 224 N 0.00 0.99 0.00 0.00 1.85 -0.77 -1.09 114.93 115.91 1niu h MET 224 Ca -0.00 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1niu h MET 224 Cb 0.36 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.25 1niu h MET 224 CO 0.01 0.89 0.00 0.66 -0.40 0.00 0.00 176.91 178.08 1niu n TYR 225 N -4.24 0.00 -0.81 1.39 4.01 -0.87 -4.46 117.16 112.19 1niu n TYR 225 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1niu n TYR 225 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1niu n TYR 225 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1niu n GLY 226 N 0.72 0.53 3.55 2.72 0.00 -0.41 -2.98 105.19 109.31 1niu n GLY 226 Ca 0.20 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1niu n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1niu s LEU 227 N 0.00 3.12 0.32 0.99 1.43 -1.10 -4.27 118.68 119.16 1niu s LEU 227 Ca 0.00 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 1niu s LEU 227 Cb 0.00 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1niu s LEU 227 CO 0.00 0.32 1.04 0.00 0.23 0.00 0.00 176.35 177.95 1niu s ALA 228 N -0.57 3.28 0.55 4.21 0.00 -1.26 -3.18 121.76 124.79 1niu s ALA 228 Ca 0.09 0.76 0.22 0.00 0.00 0.00 0.00 51.96 53.02 1niu s ALA 228 Cb -0.12 -3.28 1.47 0.00 0.00 0.00 0.00 23.12 21.20 1niu s ALA 228 CO 0.02 -0.09 2.15 -1.35 0.00 0.00 0.00 175.76 176.49 1niu h PRO 229 N 3.38 0.00 -2.27 0.00 0.11 -1.96 -3.45 132.00 127.82 1niu h PRO 229 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1niu h PRO 229 Cb 1.21 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 1niu h PRO 229 CO 0.65 0.00 0.48 -1.54 -0.21 0.00 0.00 178.00 177.38 1niu s SER 230 N -6.55 -0.38 0.42 -2.05 1.04 -1.26 -4.98 113.70 99.93 1niu s SER 230 Ca -0.05 0.04 0.17 0.00 0.48 0.00 0.00 55.95 56.59 1niu s SER 230 Cb 0.17 0.39 0.92 0.00 0.10 0.00 0.00 66.02 67.60 1niu s SER 230 CO 0.63 -0.62 1.89 -0.65 0.98 0.00 0.00 173.24 175.47 1niu h PRO 231 N 2.06 0.00 0.00 4.02 0.11 -1.93 -2.98 132.00 133.27 1niu h PRO 231 Ca -0.23 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 1niu h PRO 231 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1niu h PRO 231 CO 0.31 0.29 -0.58 0.78 -0.21 0.00 0.00 178.00 178.59 1niu h GLY 232 N 1.11 0.00 1.86 -0.55 0.00 -1.96 -3.16 103.07 100.37 1niu h GLY 232 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1niu h GLY 232 CO 0.04 0.00 -0.12 1.19 0.00 0.00 0.00 176.54 177.65 1niu h ILE 233 N 0.00 0.00 -0.70 2.60 2.10 -1.68 -3.40 117.51 116.43 1niu h ILE 233 Ca -0.01 -0.68 0.14 0.00 1.08 0.00 0.00 64.86 65.39 1niu h ILE 233 Cb 1.03 1.61 -0.13 0.00 -1.09 0.00 0.00 36.82 38.24 1niu h ILE 233 CO 0.08 0.00 -0.23 0.11 -1.08 0.00 0.00 178.15 177.03 1niu h LYS 234 N 0.00 -0.04 -0.87 2.19 1.57 -1.55 -1.22 116.57 116.65 1niu h LYS 234 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1niu h LYS 234 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1niu h LYS 234 CO 0.00 -0.03 0.05 -0.35 -0.57 0.00 0.00 179.45 178.55 1niu n PRO 235 N -5.47 2.35 0.00 3.15 -0.04 -1.26 -3.37 135.00 130.35 1niu n PRO 235 Ca 0.08 -1.24 0.01 0.00 -0.04 0.00 0.00 63.50 62.32 1niu n PRO 235 Cb 0.37 -1.74 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1niu n PRO 235 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1niu n LEU 236 N 0.17 0.68 -4.76 1.53 4.77 -0.47 -5.04 117.00 113.89 1niu n LEU 236 Ca 0.13 -0.75 -0.39 0.00 -0.03 0.00 0.00 56.01 54.97 1niu n LEU 236 Cb 0.69 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1niu n LEU 236 CO 0.15 0.16 0.71 -0.76 -1.33 0.00 0.00 177.39 176.32 1niu s LEU 237 N -1.20 4.53 0.44 2.23 1.02 -1.20 -4.86 118.68 119.63 1niu s LEU 237 Ca 0.02 2.07 0.15 0.00 0.02 0.00 0.00 54.13 56.40 1niu s LEU 237 Cb 0.02 -3.71 0.98 0.00 0.02 0.00 0.00 46.19 43.50 1niu s LEU 237 CO 0.07 -0.04 1.96 1.55 0.02 0.00 0.00 176.35 179.91 1niu h PRO 238 N 3.76 0.00 -4.22 1.29 0.13 -1.94 -3.46 132.00 127.57 1niu h PRO 238 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1niu h PRO 238 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 1niu h PRO 238 CO 0.67 0.23 -0.62 1.52 -0.23 0.00 0.00 178.00 179.56 1niu s TYR 239 N -4.47 0.55 0.16 1.56 1.13 -1.26 -5.14 117.35 109.88 1niu s TYR 239 Ca -0.03 -1.04 -0.30 0.00 -1.41 0.00 0.00 57.07 54.29 1niu s TYR 239 Cb 0.15 -0.36 -0.07 0.00 -1.10 0.00 0.00 41.96 40.58 1niu s TYR 239 CO 0.69 -0.44 1.15 -1.25 -2.51 0.00 0.00 175.55 173.19 1niu s PRO 240 N -3.94 4.52 0.02 -3.49 0.04 -1.26 -5.03 135.00 125.86 1niu s PRO 240 Ca 0.11 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1niu s PRO 240 Cb 0.07 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1niu s PRO 240 CO -0.07 -0.05 0.48 -0.51 0.04 0.00 0.00 177.00 176.89 1niu s LEU 241 N -0.03 4.48 -0.17 -3.56 1.43 -1.26 -4.95 118.68 114.62 1niu s LEU 241 Ca 0.52 1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 54.55 1niu s LEU 241 Cb -0.31 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1niu s LEU 241 CO 0.34 0.27 0.32 -0.54 0.23 0.00 0.00 176.35 176.97 1niu s LYS 242 N -0.89 4.25 -0.04 1.70 3.01 -1.26 -4.97 119.74 121.53 1niu s LYS 242 Ca 0.26 0.13 -0.30 0.00 -1.01 0.00 0.00 55.97 55.05 1niu s LYS 242 Cb -0.18 -3.45 -0.03 0.00 -1.01 0.00 0.00 37.83 33.16 1niu s LYS 242 CO 0.15 0.17 1.05 -2.00 0.51 0.00 0.00 175.35 175.24 1niu s GLU 243 N 0.65 4.46 -0.05 1.68 2.12 -1.26 -3.67 118.70 122.64 1niu s GLU 243 Ca 0.17 1.50 0.15 0.00 0.36 0.00 0.00 54.97 57.15 1niu s GLU 243 Cb -0.13 -3.49 -0.21 0.00 0.26 0.00 0.00 34.13 30.55 1niu s GLU 243 CO 0.05 -0.23 0.58 0.00 -0.54 0.00 0.00 175.26 175.12 1niu n ALA 244 N 4.49 1.66 -2.75 6.30 0.00 -1.16 -4.89 120.51 124.17 1niu n ALA 244 Ca 0.08 -0.81 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 1niu n ALA 244 Cb 0.49 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 1niu n ALA 244 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1niu s PHE 245 N -2.70 3.46 0.06 0.00 2.19 -1.26 -0.73 117.98 119.00 1niu s PHE 245 Ca -0.05 0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.63 1niu s PHE 245 Cb 0.08 -2.16 -0.03 0.00 -1.31 0.00 0.00 43.02 39.60 1niu s PHE 245 CO 0.83 0.36 -0.05 -1.54 1.83 0.00 0.00 175.22 176.65 1niu s SER 246 N 0.12 0.71 -0.04 6.13 1.04 -0.56 -4.73 113.70 116.36 1niu s SER 246 Ca 0.11 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.74 1niu s SER 246 Cb -0.12 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1niu s SER 246 CO 0.00 -0.43 -0.09 -0.22 0.98 0.00 0.00 173.24 173.48 1niu s LEU 247 N -2.43 1.65 0.13 2.42 2.96 0.31 -0.74 118.68 122.97 1niu s LEU 247 Ca 0.01 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1niu s LEU 247 Cb 0.00 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1niu s LEU 247 CO -0.05 0.03 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.98 1niu s HIS 248 N 0.48 1.06 0.29 5.38 3.76 0.02 -1.13 115.29 125.16 1niu s HIS 248 Ca -0.08 -0.95 -0.05 0.00 -0.15 0.00 0.00 55.06 53.82 1niu s HIS 248 Cb -0.12 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 32.99 1niu s HIS 248 CO 0.01 -0.16 0.48 0.45 -0.85 0.00 0.00 174.74 174.67 1niu n SER 249 N -0.14 -1.36 -3.98 1.40 2.88 0.20 -1.44 113.62 111.17 1niu n SER 249 Ca -0.09 -2.41 -0.09 0.00 -1.33 0.00 0.00 58.87 54.94 1niu n SER 249 Cb 0.62 2.40 -0.11 0.00 -0.75 0.00 0.00 64.21 66.37 1niu n SER 249 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1niu s ARG 250 N -2.42 0.31 0.11 -1.46 0.52 -0.93 -0.33 118.95 114.75 1niu s ARG 250 Ca 0.19 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1niu s ARG 250 Cb -0.02 0.08 -0.09 0.00 0.52 0.00 0.00 34.95 35.44 1niu s ARG 250 CO 0.14 -0.04 1.53 -0.51 0.02 0.00 0.00 175.30 176.44 1niu s LEU 251 N -1.41 4.36 0.00 2.53 1.43 -0.36 -4.18 118.68 121.06 1niu s LEU 251 Ca -0.15 2.45 0.10 0.00 -1.03 0.00 0.00 54.13 55.50 1niu s LEU 251 Cb -0.10 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1niu s LEU 251 CO -0.01 -0.79 0.57 1.33 0.23 0.00 0.00 176.35 177.69 1niu n VAL 252 N 4.26 0.00 -3.60 -1.59 0.24 -0.09 -0.65 118.33 116.90 1niu n VAL 252 Ca 0.14 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 1niu n VAL 252 Cb 0.41 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1niu n VAL 252 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1niu s HIS 253 N -1.51 -0.74 -0.02 6.34 5.65 -1.23 -4.98 115.29 118.81 1niu s HIS 253 Ca 0.07 1.64 -0.01 0.00 0.25 0.00 0.00 55.06 57.01 1niu s HIS 253 Cb 0.08 0.31 0.01 0.00 -1.18 0.00 0.00 32.58 31.80 1niu s HIS 253 CO 0.29 -0.45 0.04 0.08 -0.65 0.00 0.00 174.74 174.06 1niu s VAL 254 N -0.14 -0.01 0.11 0.89 1.01 -1.26 -1.34 120.40 119.66 1niu s VAL 254 Ca -0.04 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 1niu s VAL 254 Cb -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 36.38 36.32 1niu s VAL 254 CO 0.04 0.02 0.46 -1.59 0.00 0.00 0.00 175.10 174.03 1niu s LYS 255 N 0.24 1.10 -0.21 2.72 -2.85 -0.84 -5.01 119.74 114.89 1niu s LYS 255 Ca -0.02 -0.56 -0.08 0.00 -1.00 0.00 0.00 55.97 54.31 1niu s LYS 255 Cb -0.03 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1niu s LYS 255 CO -0.01 -0.44 0.09 0.21 0.10 0.00 0.00 175.35 175.31 1niu s LYS 256 N -3.49 3.93 0.01 1.78 2.20 -1.26 -1.05 119.74 121.87 1niu s LYS 256 Ca 0.01 -0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1niu s LYS 256 Cb 0.01 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1niu s LYS 256 CO -0.10 0.11 0.26 -0.51 -0.36 0.00 0.00 175.35 174.75 1niu s LEU 257 N 0.84 4.37 0.19 5.43 1.43 0.10 -4.98 118.68 126.06 1niu s LEU 257 Ca 0.05 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1niu s LEU 257 Cb -0.13 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1niu s LEU 257 CO 0.02 0.25 0.34 -1.10 0.23 0.00 0.00 176.35 176.09 1niu s GLN 258 N -1.80 3.47 0.62 1.70 -1.52 -1.26 -2.77 119.66 118.09 1niu s GLN 258 Ca 0.28 -0.53 -0.18 0.00 -1.95 0.00 0.00 55.36 52.98 1niu s GLN 258 Cb -0.13 -2.90 -0.05 0.00 -0.22 0.00 0.00 33.01 29.71 1niu s GLN 258 CO 0.17 0.46 0.84 -2.30 -0.25 0.00 0.00 175.29 174.21 1niu n PRO 259 N -0.75 0.71 0.00 2.91 -0.02 -1.25 -2.06 135.00 134.54 1niu n PRO 259 Ca -0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1niu n PRO 259 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1niu n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1niu n GLY 260 N 1.40 2.34 3.74 -1.23 0.00 -0.26 -4.96 105.19 106.23 1niu n GLY 260 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1niu n GLY 260 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1niu s GLU 261 N -0.26 4.58 0.22 1.61 2.02 -0.87 -4.81 118.70 121.18 1niu s GLU 261 Ca 0.00 1.23 -0.00 0.00 0.02 0.00 0.00 54.97 56.22 1niu s GLU 261 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1niu s GLU 261 CO 0.00 0.25 0.40 0.15 0.02 0.00 0.00 175.26 176.09 1niu s LYS 262 N -0.02 3.52 -0.05 1.61 1.02 -1.26 -1.23 119.74 123.31 1niu s LYS 262 Ca 0.42 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1niu s LYS 262 Cb -0.22 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1niu s LYS 262 CO 0.26 0.38 -0.11 0.08 -0.92 0.00 0.00 175.35 175.04 1niu s VAL 263 N -1.91 1.02 0.06 3.17 1.01 -0.73 -5.00 120.40 118.01 1niu s VAL 263 Ca 0.38 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1niu s VAL 263 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1niu s VAL 263 CO 0.30 0.32 0.00 -0.24 0.00 0.00 0.00 175.10 175.48 1niu n SER 264 N 3.67 -4.82 -4.71 3.32 2.88 -1.26 -3.88 113.62 108.82 1niu n SER 264 Ca -0.22 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.16 1niu n SER 264 Cb 0.52 -0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1niu n SER 264 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1niu n TYR 265 N -1.90 2.50 -0.80 0.66 4.01 -1.26 -1.52 117.16 118.84 1niu n TYR 265 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1niu n TYR 265 Cb 0.11 -2.52 0.00 0.00 -0.31 0.00 0.00 39.34 36.62 1niu n TYR 265 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1niu n GLY 266 N 2.00 0.76 4.20 2.72 0.00 -1.26 -3.77 105.19 109.84 1niu n GLY 266 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1niu n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1niu n ALA 267 N 0.97 -1.29 1.65 4.61 0.00 -0.57 -4.82 120.51 121.05 1niu n ALA 267 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1niu n ALA 267 Cb 0.00 -3.47 0.83 0.00 0.00 0.00 0.00 19.45 16.81 1niu n ALA 267 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1niu n THR 268 N -4.41 0.02 -5.20 0.00 -2.24 -1.25 -4.69 114.28 96.51 1niu n THR 268 Ca 0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 1niu n THR 268 Cb 0.50 -0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 68.04 1niu n THR 268 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1niu s TYR 269 N -2.29 2.55 -0.12 4.78 5.04 -1.25 -4.92 117.35 121.14 1niu s TYR 269 Ca 0.37 -0.95 0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1niu s TYR 269 Cb 0.20 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.82 1niu s TYR 269 CO 0.40 -0.36 -0.22 0.99 -1.34 0.00 0.00 175.55 175.02 1niu s THR 270 N 0.23 2.12 0.05 4.34 2.01 -1.26 -1.78 115.64 121.34 1niu s THR 270 Ca -0.15 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.56 1niu s THR 270 Cb -0.17 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 1niu s THR 270 CO 0.08 0.55 1.32 0.00 -0.69 0.00 0.00 174.62 175.88 1niu s ALA 271 N 0.58 3.52 -0.18 7.40 0.00 -0.37 -4.90 121.76 127.80 1niu s ALA 271 Ca -0.13 0.92 0.18 0.00 0.00 0.00 0.00 51.96 52.93 1niu s ALA 271 Cb -0.17 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.18 1niu s ALA 271 CO 0.03 -0.66 0.10 1.04 0.00 0.00 0.00 175.76 176.27 1niu n GLN 272 N 4.49 0.76 -0.56 0.00 3.00 -1.26 -1.10 117.38 122.71 1niu n GLN 272 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1niu n GLN 272 Cb 0.44 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.17 1niu n GLN 272 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1niu n THR 273 N -2.70 0.00 -3.05 5.09 -2.24 -1.26 -4.72 114.28 105.40 1niu n THR 273 Ca -0.30 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1niu n THR 273 Cb 1.10 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1niu n THR 273 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1niu s GLU 274 N 0.16 3.18 0.05 -0.78 2.02 -1.26 -3.77 118.70 118.30 1niu s GLU 274 Ca 0.00 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.32 1niu s GLU 274 Cb 0.00 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 1niu s GLU 274 CO 0.00 -1.33 -0.11 -1.21 0.02 0.00 0.00 175.26 172.63 1niu s GLU 275 N 3.05 2.28 -0.22 1.61 2.02 -1.12 -4.97 118.70 121.35 1niu s GLU 275 Ca 0.20 -0.89 -0.11 0.00 0.02 0.00 0.00 54.97 54.18 1niu s GLU 275 Cb -0.17 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 1niu s GLU 275 CO 0.14 0.55 0.18 -1.58 0.02 0.00 0.00 175.26 174.57 1niu s TRP 276 N -1.04 3.35 -0.09 1.61 0.52 -1.26 0.03 118.94 122.05 1niu s TRP 276 Ca 0.18 0.30 0.03 0.00 0.02 0.00 0.00 56.10 56.63 1niu s TRP 276 Cb -0.11 -2.27 -0.01 0.00 -1.15 0.00 0.00 33.47 29.93 1niu s TRP 276 CO 0.09 0.12 -0.20 0.42 0.02 0.00 0.00 176.95 177.39 1niu s ILE 277 N 0.89 2.43 0.08 2.03 -1.09 -0.21 -1.42 121.20 123.92 1niu s ILE 277 Ca 0.09 -0.91 0.07 0.00 -2.23 0.00 0.00 60.65 57.67 1niu s ILE 277 Cb -0.13 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1niu s ILE 277 CO 0.03 0.56 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.34 1niu s GLY 278 N 0.07 1.73 -0.15 6.18 0.00 -0.61 -2.00 107.32 112.55 1niu s GLY 278 Ca -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 1niu s GLY 278 CO 0.06 -1.18 -0.09 -1.59 0.00 0.00 0.00 173.10 170.29 1niu s THR 279 N -1.12 3.30 0.06 0.90 2.01 -0.45 -1.14 115.64 119.20 1niu s THR 279 Ca 0.19 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1niu s THR 279 Cb -0.11 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1niu s THR 279 CO 0.11 0.50 -0.16 0.27 -0.69 0.00 0.00 174.62 174.64 1niu s ILE 280 N 0.54 2.92 -1.41 1.82 -4.36 -0.69 -0.91 121.20 119.12 1niu s ILE 280 Ca -0.06 -1.23 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1niu s ILE 280 Cb -0.15 -2.27 0.07 0.00 1.25 0.00 0.00 42.46 41.35 1niu s ILE 280 CO 0.03 0.27 2.42 -0.81 0.24 0.00 0.00 174.94 177.10 1niu n PRO 281 N 1.31 4.03 -3.83 0.37 -0.04 -1.26 -2.68 135.00 132.90 1niu n PRO 281 Ca -0.16 -3.07 -0.12 0.00 -0.04 0.00 0.00 63.50 60.11 1niu n PRO 281 Cb 0.52 -2.79 -0.13 0.00 -0.04 0.00 0.00 33.50 31.07 1niu n PRO 281 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1niu s ILE 282 N 0.38 0.00 0.00 0.52 2.07 -0.53 -4.73 121.20 118.90 1niu s ILE 282 Ca 0.55 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.77 1niu s ILE 282 Cb 0.16 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.55 1niu s ILE 282 CO -0.07 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 1niu n GLY 283 N 2.97 3.68 0.29 1.50 0.00 -1.22 -2.97 105.19 109.43 1niu n GLY 283 Ca -0.13 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 44.80 1niu n GLY 283 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1niu h TYR 284 N 0.55 0.00 0.00 1.61 -0.00 -0.87 -1.21 116.97 117.05 1niu h TYR 284 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1niu h TYR 284 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1niu h TYR 284 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 1niu n ALA 285 N -2.10 1.90 1.05 0.10 0.00 -0.49 -1.67 120.51 119.30 1niu n ALA 285 Ca -0.00 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1niu n ALA 285 Cb 0.25 -1.41 0.31 0.00 0.00 0.00 0.00 19.45 18.60 1niu n ALA 285 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1niu n ASP 286 N -2.14 2.34 0.00 0.00 8.00 -0.48 -4.62 116.55 119.65 1niu n ASP 286 Ca 0.04 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1niu n ASP 286 Cb 0.30 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1niu n ASP 286 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1niu n GLY 287 N 1.28 0.69 3.40 0.44 0.00 -0.67 -2.17 105.19 108.17 1niu n GLY 287 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1niu n GLY 287 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1niu n TRP 288 N -2.03 4.95 -1.55 1.61 -0.00 -1.08 -4.58 117.44 114.76 1niu n TRP 288 Ca 0.00 -3.48 -0.38 0.00 -0.00 0.00 0.00 57.50 53.65 1niu n TRP 288 Cb 0.00 -2.04 0.05 0.00 -0.00 0.00 0.00 31.31 29.31 1niu n TRP 288 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1niu n LEU 289 N 4.73 2.45 -0.04 5.87 4.77 -1.26 -2.67 117.00 130.85 1niu n LEU 289 Ca 0.33 0.78 0.21 0.00 -0.03 0.00 0.00 56.01 57.30 1niu n LEU 289 Cb 0.41 -1.30 0.68 0.00 -2.33 0.00 0.00 43.42 40.89 1niu n LEU 289 CO 0.59 -2.37 1.20 0.03 -1.33 0.00 0.00 177.39 175.51 1niu h ARG 290 N 0.38 0.03 0.00 3.23 3.08 -1.93 -1.38 114.38 117.79 1niu h ARG 290 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1niu h ARG 290 Cb 1.38 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1niu h ARG 290 CO 0.49 0.02 0.00 -2.13 -1.07 0.00 0.00 179.97 177.28 1niu n ARG 291 N -4.37 0.12 -0.14 0.04 0.63 -1.26 -2.09 116.66 109.59 1niu n ARG 291 Ca 0.11 0.55 0.03 0.00 -0.92 0.00 0.00 57.85 57.62 1niu n ARG 291 Cb 0.66 -1.83 0.10 0.00 0.45 0.00 0.00 32.46 31.83 1niu n ARG 291 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1niu n LEU 292 N -2.07 1.39 -0.31 6.15 4.77 -0.52 -4.45 117.00 121.96 1niu n LEU 292 Ca -0.00 -0.70 0.26 0.00 -0.03 0.00 0.00 56.01 55.54 1niu n LEU 292 Cb 0.07 -0.23 0.58 0.00 -2.33 0.00 0.00 43.42 41.51 1niu n LEU 292 CO 0.10 0.30 1.25 -0.61 -1.33 0.00 0.00 177.39 177.09 1niu h GLN 293 N 1.19 0.26 -0.51 3.23 4.15 -1.64 -1.68 115.11 120.10 1niu h GLN 293 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1niu h GLN 293 Cb 0.42 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1niu h GLN 293 CO 0.03 0.17 0.00 0.72 -1.93 0.00 0.00 178.83 177.82 1niu n HIS 294 N -4.49 1.16 -2.11 3.99 8.25 -1.26 -4.27 115.22 116.49 1niu n HIS 294 Ca 0.25 -0.64 -0.31 0.00 -0.26 0.00 0.00 57.72 56.77 1niu n HIS 294 Cb 0.98 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.88 1niu n HIS 294 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1niu s PHE 295 N -1.84 3.59 -0.15 4.41 5.36 -0.63 -4.76 117.98 123.96 1niu s PHE 295 Ca 0.44 1.23 -0.05 0.00 -0.96 0.00 0.00 56.93 57.59 1niu s PHE 295 Cb 0.29 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1niu s PHE 295 CO 0.20 -0.55 0.03 -1.01 -1.46 0.00 0.00 175.22 172.42 1niu s HIS 296 N -2.99 3.19 0.48 10.12 3.76 -1.26 -1.28 115.29 127.31 1niu s HIS 296 Ca 0.54 0.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.56 1niu s HIS 296 Cb -0.11 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1niu s HIS 296 CO 0.48 0.23 0.34 0.14 -0.85 0.00 0.00 174.74 175.07 1niu s VAL 297 N -0.05 2.02 -0.14 -0.90 -7.23 -0.30 -4.84 120.40 108.97 1niu s VAL 297 Ca 0.05 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1niu s VAL 297 Cb -0.12 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1niu s VAL 297 CO 0.02 0.00 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.96 1niu s LEU 298 N -4.15 2.99 -0.12 1.32 1.43 -0.27 -0.41 118.68 119.48 1niu s LEU 298 Ca 0.38 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1niu s LEU 298 Cb -0.01 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1niu s LEU 298 CO 0.23 0.18 0.03 -0.69 0.23 0.00 0.00 176.35 176.33 1niu s VAL 299 N 0.29 0.28 -1.20 -1.59 1.01 0.11 -0.76 120.40 118.54 1niu s VAL 299 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1niu s VAL 299 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1niu s VAL 299 CO 0.04 0.03 1.02 -0.67 0.00 0.00 0.00 175.10 175.52 1niu n ASP 300 N 5.16 -3.04 0.00 3.32 2.03 -1.26 -2.33 116.55 120.43 1niu n ASP 300 Ca -0.07 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1niu n ASP 300 Cb 0.49 -4.98 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 1niu n ASP 300 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1niu n GLY 301 N -1.33 0.71 3.41 0.27 0.00 -1.26 -5.00 105.19 101.99 1niu n GLY 301 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1niu n GLY 301 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1niu s GLN 302 N -0.32 1.49 0.20 1.61 -0.21 -0.98 -4.62 119.66 116.83 1niu s GLN 302 Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 55.36 53.59 1niu s GLN 302 Cb 0.00 -1.83 -0.08 0.00 1.00 0.00 0.00 33.01 32.10 1niu s GLN 302 CO 0.00 0.40 0.99 0.15 -2.12 0.00 0.00 175.29 174.72 1niu s LYS 303 N -2.58 4.74 -0.03 2.91 1.02 -1.26 -0.71 119.74 123.83 1niu s LYS 303 Ca 0.19 1.56 -0.00 0.00 0.02 0.00 0.00 55.97 57.74 1niu s LYS 303 Cb -0.08 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1niu s LYS 303 CO 0.09 0.31 0.02 0.00 -0.92 0.00 0.00 175.35 174.86 1niu s ALA 304 N -0.67 0.20 0.44 5.17 0.00 0.46 -4.90 121.76 122.45 1niu s ALA 304 Ca 0.45 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1niu s ALA 304 Cb -0.27 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 1niu s ALA 304 CO 0.33 -0.17 1.02 -1.25 0.00 0.00 0.00 175.76 175.69 1niu s PRO 305 N 1.25 4.05 -0.16 0.00 0.04 -1.26 -1.15 135.00 137.78 1niu s PRO 305 Ca -0.07 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 1niu s PRO 305 Cb -0.13 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1niu s PRO 305 CO -0.03 -0.22 0.90 0.42 0.04 0.00 0.00 177.00 178.12 1niu s ILE 306 N -1.88 4.83 -0.11 0.56 1.01 -0.40 -0.95 121.20 124.26 1niu s ILE 306 Ca 0.62 1.79 0.01 0.00 0.00 0.00 0.00 60.65 63.07 1niu s ILE 306 Cb -0.17 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1niu s ILE 306 CO 0.22 -0.00 -0.12 -0.69 0.00 0.00 0.00 174.94 174.34 1niu s VAL 307 N 2.21 3.18 0.04 2.92 1.01 -0.50 -4.39 120.40 124.86 1niu s VAL 307 Ca 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1niu s VAL 307 Cb -0.17 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1niu s VAL 307 CO 0.13 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1niu n GLY 308 N 3.11 -1.51 3.77 4.51 0.00 -1.26 -4.27 105.19 109.55 1niu n GLY 308 Ca -0.18 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 1niu n GLY 308 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1niu s ARG 309 N -1.38 3.82 -0.03 1.61 0.52 -1.26 -4.89 118.95 117.34 1niu s ARG 309 Ca 0.00 1.73 -0.27 0.00 -0.52 0.00 0.00 55.73 56.67 1niu s ARG 309 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 1niu s ARG 309 CO 0.00 -0.49 0.85 0.42 0.02 0.00 0.00 175.30 176.10 1niu s ILE 310 N -1.57 4.94 0.72 1.52 1.01 -1.26 -4.64 121.20 121.93 1niu s ILE 310 Ca 0.63 1.78 -0.00 0.00 0.00 0.00 0.00 60.65 63.05 1niu s ILE 310 Cb -0.27 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 38.14 1niu s ILE 310 CO 0.33 0.21 0.99 0.00 0.00 0.00 0.00 174.94 176.47 1niu h MET 312 N -0.51 1.21 0.00 0.00 4.05 -1.93 -1.40 114.93 116.35 1niu h MET 312 Ca -0.35 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1niu h MET 312 Cb 1.27 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1niu h MET 312 CO 0.39 0.91 0.00 -0.25 0.23 0.00 0.00 176.91 178.19 1niu n ASP 313 N -4.34 0.51 -3.94 1.39 8.00 -1.26 -1.40 116.55 115.51 1niu n ASP 313 Ca 0.09 -0.78 -0.09 0.00 0.71 0.00 0.00 54.79 54.71 1niu n ASP 313 Cb 0.12 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1niu n ASP 313 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1niu s GLN 314 N -0.29 1.01 0.17 -1.24 -0.21 -1.18 -1.46 119.66 116.46 1niu s GLN 314 Ca 0.00 -1.12 -0.18 0.00 0.02 0.00 0.00 55.36 54.08 1niu s GLN 314 Cb 0.00 0.35 0.04 0.00 1.00 0.00 0.00 33.01 34.39 1niu s GLN 314 CO 0.00 -0.34 0.50 0.00 -2.12 0.00 0.00 175.29 173.33 1niu s MET 316 N -3.84 1.99 0.05 0.00 -1.94 -1.26 -1.70 119.30 112.61 1niu s MET 316 Ca 0.06 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 52.79 1niu s MET 316 Cb -0.00 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.68 1niu s MET 316 CO -0.07 0.44 -0.08 0.96 -0.01 0.00 0.00 175.02 176.27 1niu s ILE 317 N -1.65 0.57 -0.42 2.53 -4.36 -0.29 -1.42 121.20 116.16 1niu s ILE 317 Ca 0.24 -1.26 -0.21 0.00 -0.26 0.00 0.00 60.65 59.16 1niu s ILE 317 Cb -0.09 -0.83 0.02 0.00 1.25 0.00 0.00 42.46 42.81 1niu s ILE 317 CO 0.14 -0.48 0.68 -0.60 0.24 0.00 0.00 174.94 174.93 1niu s ARG 318 N -2.04 3.41 0.51 0.37 3.52 -0.13 -1.57 118.95 123.03 1niu s ARG 318 Ca -0.06 -0.19 -0.18 0.00 -0.13 0.00 0.00 55.73 55.17 1niu s ARG 318 Cb -0.07 -3.91 -0.07 0.00 -1.56 0.00 0.00 34.95 29.33 1niu s ARG 318 CO -0.01 -0.98 1.02 -0.51 -0.81 0.00 0.00 175.30 174.01 1niu s LEU 319 N 2.93 3.71 0.38 -0.88 1.43 -0.50 -4.17 118.68 121.58 1niu s LEU 319 Ca 0.25 1.78 0.10 0.00 -1.03 0.00 0.00 54.13 55.24 1niu s LEU 319 Cb -0.14 -4.54 0.75 0.00 0.03 0.00 0.00 46.19 42.29 1niu s LEU 319 CO 0.19 -0.79 1.87 1.55 0.23 0.00 0.00 176.35 179.41 1niu h PRO 320 N 1.15 0.17 0.00 1.29 0.13 -1.92 -3.41 132.00 129.40 1niu h PRO 320 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1niu h PRO 320 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1niu h PRO 320 CO 0.59 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 179.16 1niu n GLY 321 N -0.71 1.75 3.55 1.56 0.00 -1.26 -5.00 105.19 105.08 1niu n GLY 321 Ca -0.01 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1niu n GLY 321 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1niu s PRO 322 N -0.26 3.20 0.19 1.61 0.04 -1.26 -4.85 135.00 133.67 1niu s PRO 322 Ca 0.00 -0.30 -0.01 0.00 0.04 0.00 0.00 61.00 60.73 1niu s PRO 322 Cb 0.00 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1niu s PRO 322 CO 0.00 -2.13 0.38 -0.51 0.04 0.00 0.00 177.00 174.78 1niu s LEU 323 N 5.63 4.24 0.52 -3.56 1.43 -1.26 -5.08 118.68 120.60 1niu s LEU 323 Ca 0.35 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 1niu s LEU 323 Cb -0.08 -3.16 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 1niu s LEU 323 CO 0.14 -0.02 1.06 -2.16 0.23 0.00 0.00 176.35 175.60 1niu s PRO 324 N -3.24 3.62 0.24 1.29 0.04 -1.26 -4.90 135.00 130.79 1niu s PRO 324 Ca 0.38 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1niu s PRO 324 Cb -0.11 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1niu s PRO 324 CO 0.29 -0.59 1.50 0.08 0.04 0.00 0.00 177.00 178.32 1niu s VAL 325 N -1.99 2.51 0.00 -0.36 1.01 -1.26 -2.21 120.40 118.10 1niu s VAL 325 Ca 0.68 0.41 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1niu s VAL 325 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1niu s VAL 325 CO 0.24 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1niu n GLY 326 N 2.53 0.62 3.73 4.51 0.00 0.17 -4.98 105.19 111.78 1niu n GLY 326 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1niu n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1niu s THR 327 N -2.00 2.62 0.13 2.61 2.01 -0.94 -4.61 115.64 115.46 1niu s THR 327 Ca 0.00 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1niu s THR 327 Cb 0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 1niu s THR 327 CO 0.00 0.06 1.24 -0.75 -0.69 0.00 0.00 174.62 174.48 1niu s LYS 328 N 0.24 4.44 -0.13 4.92 2.20 -1.26 -1.22 119.74 128.92 1niu s LYS 328 Ca 0.64 1.89 0.01 0.00 -0.36 0.00 0.00 55.97 58.15 1niu s LYS 328 Cb -0.43 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1niu s LYS 328 CO 0.39 -0.21 -0.18 0.08 -0.36 0.00 0.00 175.35 175.06 1niu s VAL 329 N 0.50 2.51 -0.28 4.02 1.01 0.55 -4.21 120.40 124.51 1niu s VAL 329 Ca 0.57 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1niu s VAL 329 Cb -0.33 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1niu s VAL 329 CO 0.33 0.53 0.10 -0.89 0.00 0.00 0.00 175.10 175.18 1niu s THR 330 N 0.56 4.35 -0.04 3.92 2.01 0.06 -0.62 115.64 125.88 1niu s THR 330 Ca -0.11 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1niu s THR 330 Cb -0.16 -3.13 -0.27 0.00 0.01 0.00 0.00 72.50 68.95 1niu s THR 330 CO 0.04 0.21 0.69 -0.07 -0.69 0.00 0.00 174.62 174.79 1niu h LEU 331 N 8.27 0.38 -7.42 4.42 4.07 -1.43 -0.70 115.31 122.91 1niu h LEU 331 Ca -0.35 -0.63 -0.34 0.00 0.08 0.00 0.00 57.88 56.64 1niu h LEU 331 Cb 1.16 -0.12 -0.37 0.00 1.08 0.00 0.00 40.66 42.41 1niu h LEU 331 CO 0.59 1.54 -0.74 -0.63 -1.08 0.00 0.00 178.44 178.13 1niu s ILE 332 N -2.59 -0.05 -5.00 1.22 1.01 -1.14 -4.87 121.20 109.77 1niu s ILE 332 Ca -0.13 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1niu s ILE 332 Cb 0.07 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.39 1niu s ILE 332 CO 0.83 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.53 1niu n GLY 333 N 4.78 0.89 3.29 6.18 0.00 0.13 -0.53 105.19 119.93 1niu n GLY 333 Ca -0.14 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1niu n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1niu s ARG 334 N -2.00 2.63 -0.42 1.61 3.52 -1.26 -1.32 118.95 121.71 1niu s ARG 334 Ca 0.00 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1niu s ARG 334 Cb 0.00 -2.22 0.13 0.00 -1.56 0.00 0.00 34.95 31.30 1niu s ARG 334 CO 0.00 0.38 0.21 -1.14 -0.81 0.00 0.00 175.30 173.93 1niu s GLN 335 N -0.15 1.26 3.49 5.12 0.74 -0.32 -5.02 119.66 124.78 1niu s GLN 335 Ca -0.04 -1.90 0.00 0.00 0.05 0.00 0.00 55.36 53.48 1niu s GLN 335 Cb -0.14 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.56 1niu s GLN 335 CO 0.04 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.07 1niu n GLY 336 N 3.77 0.26 0.10 2.59 0.00 -1.26 -2.00 105.19 108.64 1niu n GLY 336 Ca 0.06 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 1niu n GLY 336 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1niu h ASP 337 N 0.00 0.28 -2.84 1.61 3.58 -1.95 -3.47 116.42 113.63 1niu h ASP 337 Ca 0.00 -0.36 -0.54 0.00 0.42 0.00 0.00 57.03 56.56 1niu h ASP 337 Cb 0.00 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1niu h ASP 337 CO 0.00 1.29 -0.34 -1.61 -2.88 0.00 0.00 179.24 175.70 1niu s GLU 338 N -2.65 3.52 -0.02 0.28 0.41 -0.85 -5.11 118.70 114.29 1niu s GLU 338 Ca -0.05 -0.34 -0.02 0.00 -0.41 0.00 0.00 54.97 54.14 1niu s GLU 338 Cb 0.08 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 1niu s GLU 338 CO 0.85 0.41 0.06 0.54 -0.49 0.00 0.00 175.26 176.63 1niu s VAL 339 N -1.86 0.02 -0.13 2.63 0.11 -1.26 -1.17 120.40 118.74 1niu s VAL 339 Ca 0.38 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1niu s VAL 339 Cb -0.11 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1niu s VAL 339 CO 0.29 -0.08 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.19 1niu s ILE 340 N -0.21 1.62 0.41 7.04 1.01 -0.43 -4.99 121.20 125.65 1niu s ILE 340 Ca -0.03 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1niu s ILE 340 Cb -0.02 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1niu s ILE 340 CO 0.00 0.47 0.44 -0.94 0.00 0.00 0.00 174.94 174.90 1niu s SER 341 N 1.10 5.28 0.48 3.58 1.04 -1.26 -0.69 113.70 123.23 1niu s SER 341 Ca -0.03 -0.62 0.23 0.00 0.48 0.00 0.00 55.95 56.02 1niu s SER 341 Cb -0.14 -0.63 1.24 0.00 0.10 0.00 0.00 66.02 66.59 1niu s SER 341 CO -0.04 -0.67 2.01 0.40 0.98 0.00 0.00 173.24 175.91 1niu h ILE 342 N 0.91 0.74 -0.02 -1.02 2.04 -1.97 -1.00 117.51 117.19 1niu h ILE 342 Ca -0.41 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1niu h ILE 342 Cb 1.27 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1niu h ILE 342 CO 0.53 0.17 -0.34 0.44 0.00 0.00 0.00 178.15 178.95 1niu h ASP 343 N 0.00 0.03 -0.15 1.72 3.32 -1.94 -0.89 116.42 118.50 1niu h ASP 343 Ca -0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1niu h ASP 343 Cb 0.41 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1niu h ASP 343 CO 0.02 0.37 -0.31 0.44 -1.72 0.00 0.00 179.24 178.04 1niu h ASP 344 N 0.03 0.54 -0.52 6.45 3.32 -1.57 -1.58 116.42 123.09 1niu h ASP 344 Ca 0.00 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 1niu h ASP 344 Cb 0.62 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1niu h ASP 344 CO 0.05 1.00 0.18 0.58 -1.72 0.00 0.00 179.24 179.32 1niu h VAL 345 N 0.11 1.23 -0.64 -1.35 2.07 -1.25 -2.75 116.25 113.67 1niu h VAL 345 Ca 0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1niu h VAL 345 Cb 0.91 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1niu h VAL 345 CO 0.07 0.27 0.32 0.00 0.02 0.00 0.00 177.57 178.25 1niu h ALA 346 N 1.03 1.37 -0.09 1.67 0.00 -1.14 -1.33 119.26 120.77 1niu h ALA 346 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1niu h ALA 346 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1niu h ALA 346 CO -0.01 0.50 0.01 -0.09 0.00 0.00 0.00 179.25 179.67 1niu h ARG 347 N 0.89 0.05 -0.36 0.00 2.43 -1.01 -0.03 114.38 116.36 1niu h ARG 347 Ca 0.22 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1niu h ARG 347 Cb 0.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1niu h ARG 347 CO -0.03 0.03 -0.14 1.25 -1.51 0.00 0.00 179.97 179.58 1niu h HIS 348 N 0.05 0.69 -0.00 2.20 2.76 -1.20 -2.32 115.15 117.34 1niu h HIS 348 Ca 0.04 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1niu h HIS 348 Cb 0.03 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1niu h HIS 348 CO -0.11 0.74 -0.04 1.28 -1.30 0.00 0.00 177.93 178.50 1niu n LEU 349 N -4.17 0.32 -3.48 0.26 4.77 -0.54 -4.92 117.00 109.24 1niu n LEU 349 Ca 0.01 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 1niu n LEU 349 Cb 0.36 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1niu n LEU 349 CO 0.42 0.06 0.13 -0.62 -1.33 0.00 0.00 177.39 176.05 1niu n GLU 350 N -0.93 -6.83 -1.58 3.23 1.02 -0.21 -5.01 120.64 110.33 1niu n GLU 350 Ca 0.18 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1niu n GLU 350 Cb 0.22 -5.85 0.00 0.00 -0.02 0.00 0.00 31.44 25.80 1niu n GLU 350 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1niu n THR 351 N -4.32 0.00 -4.12 2.62 -2.24 -0.20 -5.04 114.28 100.99 1niu n THR 351 Ca -0.23 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1niu n THR 351 Cb 0.65 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1niu n THR 351 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1niu s ILE 352 N -1.71 4.39 0.45 2.28 -4.36 -1.26 -4.43 121.20 116.55 1niu s ILE 352 Ca 0.00 -0.73 0.27 0.00 -0.26 0.00 0.00 60.65 59.93 1niu s ILE 352 Cb 0.00 -3.06 0.47 0.00 1.25 0.00 0.00 42.46 41.11 1niu s ILE 352 CO 0.00 0.20 1.73 -0.55 0.24 0.00 0.00 174.94 176.56 1niu h ASN 353 N 3.63 0.28 -1.01 4.36 7.08 -1.91 -1.19 115.58 126.81 1niu h ASN 353 Ca -0.48 0.08 0.24 0.00 -3.08 0.00 0.00 56.30 53.06 1niu h ASN 353 Cb 1.17 0.04 -0.11 0.00 -2.08 0.00 0.00 38.32 37.34 1niu h ASN 353 CO 0.63 -0.01 0.62 1.88 -2.08 0.00 0.00 177.43 178.47 1niu h TYR 354 N 0.21 0.91 0.00 4.14 -1.99 -1.95 -1.97 116.97 116.32 1niu h TYR 354 Ca 0.66 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 61.31 1niu h TYR 354 Cb 2.06 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 40.50 1niu h TYR 354 CO -0.00 0.09 -0.54 1.49 -0.00 0.00 0.00 178.16 179.20 1niu h GLU 355 N 0.55 0.00 0.58 4.88 4.81 -1.63 -3.37 114.58 120.41 1niu h GLU 355 Ca 0.62 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.82 1niu h GLU 355 Cb 1.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1niu h GLU 355 CO -0.41 0.54 -0.28 0.28 -0.73 0.00 0.00 179.01 178.41 1niu h VAL 356 N 0.00 0.00 0.00 0.32 2.07 -1.48 -2.70 116.25 114.45 1niu h VAL 356 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1niu h VAL 356 Cb 1.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1niu h VAL 356 CO 0.07 0.00 -0.04 1.55 0.02 0.00 0.00 177.57 179.17 1niu h PRO 357 N -0.90 0.00 -0.05 1.57 0.13 -1.76 -1.22 132.00 129.77 1niu h PRO 357 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1niu h PRO 357 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1niu h PRO 357 CO 0.13 0.04 -0.13 0.00 -0.23 0.00 0.00 178.00 177.81 1niu h THR 359 N 0.07 0.20 -2.65 0.00 2.02 -0.88 -3.44 112.91 108.23 1niu h THR 359 Ca 0.02 -1.39 -0.55 0.00 0.77 0.00 0.00 66.41 65.25 1niu h THR 359 Cb 0.28 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1niu h THR 359 CO 0.02 0.11 1.06 -0.63 0.37 0.00 0.00 175.52 176.46 1niu s ILE 360 N -3.19 3.68 0.95 3.11 -1.09 -1.14 -3.94 121.20 119.58 1niu s ILE 360 Ca -0.01 0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1niu s ILE 360 Cb 0.09 -3.53 0.16 0.00 -1.58 0.00 0.00 42.46 37.60 1niu s ILE 360 CO 0.79 -0.08 1.13 -0.94 -1.23 0.00 0.00 174.94 174.61 1niu s SER 361 N 3.19 3.13 0.63 3.58 1.04 -0.92 -4.92 113.70 119.43 1niu s SER 361 Ca 0.71 1.00 0.31 0.00 0.48 0.00 0.00 55.95 58.45 1niu s SER 361 Cb -0.32 -1.58 1.72 0.00 0.10 0.00 0.00 66.02 65.94 1niu s SER 361 CO 0.28 -2.79 2.03 0.10 0.98 0.00 0.00 173.24 173.83 1niu h TYR 362 N -1.66 0.00 0.00 5.02 -0.00 -1.89 0.10 116.97 118.54 1niu h TYR 362 Ca -0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.20 1niu h TYR 362 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.06 1niu h TYR 362 CO 0.19 0.00 -0.07 -0.09 -0.00 0.00 0.00 178.16 178.19 1niu h ARG 363 N 0.00 0.00 -5.19 0.10 2.43 -1.91 -3.35 114.38 106.45 1niu h ARG 363 Ca 0.06 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.60 1niu h ARG 363 Cb 0.62 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.03 1niu h ARG 363 CO -0.00 0.07 -0.14 0.08 -1.51 0.00 0.00 179.97 178.47 1niu s VAL 364 N -3.66 5.10 0.66 0.20 1.01 0.02 -4.94 120.40 118.79 1niu s VAL 364 Ca 0.01 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 1niu s VAL 364 Cb 0.09 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1niu s VAL 364 CO 0.58 -0.00 1.18 -2.84 0.00 0.00 0.00 175.10 174.01 1niu s PRO 365 N 2.21 2.65 -0.15 2.72 0.02 -1.26 -4.76 135.00 136.44 1niu s PRO 365 Ca 0.17 1.68 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 1niu s PRO 365 Cb -0.16 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 1niu s PRO 365 CO 0.11 -1.42 -0.13 1.03 -0.33 0.00 0.00 177.00 176.26 1niu s ARG 366 N -3.73 3.33 -0.18 5.54 3.00 -0.49 -0.23 118.95 126.20 1niu s ARG 366 Ca 0.73 -0.70 -0.04 0.00 0.00 0.00 0.00 55.73 55.72 1niu s ARG 366 Cb -0.27 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 31.98 1niu s ARG 366 CO 0.39 0.11 -0.02 0.42 0.00 0.00 0.00 175.30 176.20 1niu s ILE 367 N 0.61 3.93 -0.13 1.52 1.01 0.29 -0.29 121.20 128.15 1niu s ILE 367 Ca -0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1niu s ILE 367 Cb -0.16 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1niu s ILE 367 CO 0.03 0.46 0.09 -0.36 0.00 0.00 0.00 174.94 175.16 1niu s PHE 368 N 0.65 3.40 -0.06 3.97 0.08 0.18 -0.34 117.98 125.86 1niu s PHE 368 Ca -0.01 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.42 1niu s PHE 368 Cb -0.14 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1niu s PHE 368 CO 0.02 0.51 -0.20 -0.06 -0.10 0.00 0.00 175.22 175.39 1niu s PHE 369 N -0.57 2.56 -0.13 0.36 0.40 -0.13 -0.25 117.98 120.22 1niu s PHE 369 Ca 0.11 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 55.86 1niu s PHE 369 Cb -0.12 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.83 1niu s PHE 369 CO 0.02 -0.06 0.33 0.50 0.70 0.00 0.00 175.22 176.71 1niu s ARG 370 N -0.34 0.34 -1.46 0.44 6.06 -0.67 -0.42 118.95 122.89 1niu s ARG 370 Ca 0.02 0.56 -0.07 0.00 -2.50 0.00 0.00 55.73 53.73 1niu s ARG 370 Cb -0.12 0.05 0.03 0.00 0.06 0.00 0.00 34.95 34.97 1niu s ARG 370 CO 0.02 -0.10 0.69 0.72 -2.50 0.00 0.00 175.30 174.13 1niu n HIS 371 N 3.58 -2.08 -1.72 5.12 8.25 -1.26 -1.81 115.22 125.30 1niu n HIS 371 Ca -0.19 0.61 -0.20 0.00 -0.26 0.00 0.00 57.72 57.69 1niu n HIS 371 Cb 0.56 -4.13 -0.07 0.00 1.12 0.00 0.00 29.99 27.47 1niu n HIS 371 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1niu n LYS 372 N -4.16 -1.42 -4.21 -0.41 5.02 -1.26 -4.99 118.16 106.73 1niu n LYS 372 Ca -0.06 1.16 -0.15 0.00 -2.02 0.00 0.00 58.31 57.25 1niu n LYS 372 Cb 0.58 -5.55 -0.11 0.00 -0.02 0.00 0.00 35.03 29.93 1niu n LYS 372 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1niu s ARG 373 N -3.92 0.94 -0.02 1.97 0.52 -0.75 -5.10 118.95 112.59 1niu s ARG 373 Ca 0.00 -1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 53.65 1niu s ARG 373 Cb 0.00 -0.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.80 1niu s ARG 373 CO 0.00 0.09 1.45 0.42 0.02 0.00 0.00 175.30 177.28 1niu s ILE 374 N -2.66 3.68 -0.26 1.52 1.01 -1.26 -1.67 121.20 121.56 1niu s ILE 374 Ca 0.09 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.65 1niu s ILE 374 Cb -0.02 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1niu s ILE 374 CO 0.01 -0.02 -0.33 0.80 0.00 0.00 0.00 174.94 175.40 1niu n MET 375 N 5.76 0.57 -3.57 2.79 0.00 0.65 -4.93 117.12 118.39 1niu n MET 375 Ca 0.14 0.23 -0.13 0.00 -0.00 0.00 0.00 57.70 57.94 1niu n MET 375 Cb 0.43 -1.45 -0.05 0.00 0.00 0.00 0.00 33.22 32.16 1niu n MET 375 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1niu s GLU 376 N -2.49 1.06 -0.11 2.12 2.12 -1.18 -5.00 118.70 115.22 1niu s GLU 376 Ca -0.37 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.67 1niu s GLU 376 Cb 0.13 0.48 0.01 0.00 0.26 0.00 0.00 34.13 35.01 1niu s GLU 376 CO 0.48 -0.39 -0.21 0.08 -0.54 0.00 0.00 175.26 174.68 1niu s VAL 377 N -2.75 1.87 -0.29 3.70 1.01 -1.26 0.48 120.40 123.17 1niu s VAL 377 Ca -0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1niu s VAL 377 Cb -0.00 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.81 1niu s VAL 377 CO -0.04 0.52 -0.05 -0.60 0.00 0.00 0.00 175.10 174.93 1niu s ARG 378 N 0.58 1.89 -0.32 2.72 3.52 0.61 -2.93 118.95 125.01 1niu s ARG 378 Ca -0.14 -1.48 -0.03 0.00 -0.13 0.00 0.00 55.73 53.95 1niu s ARG 378 Cb -0.17 -2.95 0.06 0.00 -1.56 0.00 0.00 34.95 30.33 1niu s ARG 378 CO 0.04 -0.71 0.05 1.21 -0.81 0.00 0.00 175.30 175.09 1niu s ASN 379 N 1.07 5.02 0.53 -2.12 3.04 -1.26 -1.40 114.94 119.82 1niu s ASN 379 Ca -0.02 -1.37 0.18 0.00 0.04 0.00 0.00 52.86 51.69 1niu s ASN 379 Cb -0.19 -1.76 1.33 0.00 -1.54 0.00 0.00 41.25 39.09 1niu s ASN 379 CO -0.07 -0.31 2.16 0.00 -3.04 0.00 0.00 177.10 175.84 1niu h ALA 380 N 8.04 1.96 -0.01 1.71 0.00 -1.89 -3.49 119.26 125.58 1niu h ALA 380 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1niu h ALA 380 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1niu h ALA 380 CO 0.57 -0.02 0.00 0.44 0.00 0.00 0.00 179.25 180.24