#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu4 h SER 2 N 0.00 0.26 -2.29 -2.24 4.64 -2.03 -3.27 113.55 108.61 1iu4 h SER 2 Ca 0.00 -0.35 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 1iu4 h SER 2 Cb 0.00 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 61.85 1iu4 h SER 2 CO 0.00 1.29 0.85 -1.81 -0.87 0.00 0.00 176.83 176.29 1iu4 s ASP 3 N -6.82 6.47 0.07 4.97 1.11 -1.26 -1.74 116.67 119.46 1iu4 s ASP 3 Ca -0.06 -1.62 0.08 0.00 0.18 0.00 0.00 52.55 51.13 1iu4 s ASP 3 Cb 0.08 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 1iu4 s ASP 3 CO 0.84 -1.26 -0.21 -1.81 1.18 0.00 0.00 175.17 173.92 1iu4 s ASP 4 N 3.84 2.52 0.29 0.27 -0.00 -1.24 -5.06 116.67 117.30 1iu4 s ASP 4 Ca 0.32 -0.58 -0.29 0.00 -0.00 0.00 0.00 52.55 52.00 1iu4 s ASP 4 Cb -0.08 -0.18 -0.09 0.00 -0.00 0.00 0.00 42.92 42.57 1iu4 s ASP 4 CO -0.03 0.13 1.04 0.00 -0.00 0.00 0.00 175.17 176.30 1iu4 s ARG 5 N -1.45 4.63 0.05 8.23 1.04 -1.26 -4.39 118.95 125.80 1iu4 s ARG 5 Ca 0.07 1.65 0.07 0.00 -1.04 0.00 0.00 55.73 56.48 1iu4 s ARG 5 Cb -0.09 -3.09 -0.03 0.00 -2.04 0.00 0.00 34.95 29.69 1iu4 s ARG 5 CO 0.03 0.25 -0.16 0.08 -0.04 0.00 0.00 175.30 175.45 1iu4 s VAL 6 N -1.27 2.94 0.02 4.99 1.01 -0.28 -5.03 120.40 122.77 1iu4 s VAL 6 Ca 0.46 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1iu4 s VAL 6 Cb -0.28 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1iu4 s VAL 6 CO 0.36 0.30 0.76 0.28 0.00 0.00 0.00 175.10 176.80 1iu4 s THR 7 N -0.98 4.81 0.56 3.92 -1.32 -1.26 -4.60 115.64 116.77 1iu4 s THR 7 Ca 0.16 1.62 -0.20 0.00 -1.21 0.00 0.00 61.69 62.05 1iu4 s THR 7 Cb -0.11 -4.11 -0.06 0.00 -1.51 0.00 0.00 72.50 66.71 1iu4 s THR 7 CO 0.07 0.33 1.00 -2.65 -2.21 0.00 0.00 174.62 171.15 1iu4 n PRO 8 N 3.08 1.06 -2.07 7.08 -0.02 -1.26 -4.98 135.00 137.89 1iu4 n PRO 8 Ca -0.02 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1iu4 n PRO 8 Cb 0.50 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1iu4 n PRO 8 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1iu4 s PRO 9 N -2.61 3.42 0.16 0.52 0.04 -1.26 -4.91 135.00 130.36 1iu4 s PRO 9 Ca 0.73 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1iu4 s PRO 9 Cb -0.44 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 1iu4 s PRO 9 CO 0.49 -0.72 1.01 0.00 0.04 0.00 0.00 177.00 177.82 1iu4 s ALA 10 N -2.56 3.30 -0.41 8.56 0.00 -1.26 -4.98 121.76 124.42 1iu4 s ALA 10 Ca 0.62 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1iu4 s ALA 10 Cb -0.14 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1iu4 s ALA 10 CO 0.38 -0.06 0.36 -1.21 0.00 0.00 0.00 175.76 175.23 1iu4 s GLU 11 N -0.32 3.09 0.62 0.00 0.41 -1.26 -5.03 118.70 116.20 1iu4 s GLU 11 Ca 0.47 -0.85 -0.19 0.00 -0.41 0.00 0.00 54.97 53.99 1iu4 s GLU 11 Cb -0.26 -3.95 -0.02 0.00 -1.78 0.00 0.00 34.13 28.11 1iu4 s GLU 11 CO 0.32 -0.77 1.32 -2.14 -0.49 0.00 0.00 175.26 173.51 1iu4 s PRO 12 N 1.91 2.73 0.55 0.39 0.02 -1.26 -4.81 135.00 134.53 1iu4 s PRO 12 Ca 0.09 2.14 0.33 0.00 0.02 0.00 0.00 61.00 63.58 1iu4 s PRO 12 Cb -0.18 -1.98 1.49 0.00 0.02 0.00 0.00 34.50 33.85 1iu4 s PRO 12 CO 0.12 -1.48 1.83 1.25 -0.33 0.00 0.00 177.00 178.38 1iu4 h LEU 13 N 0.84 0.00 0.00 -5.54 5.85 -1.95 -0.54 115.31 113.96 1iu4 h LEU 13 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1iu4 h LEU 13 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1iu4 h LEU 13 CO 0.54 0.00 -0.40 -0.90 -0.34 0.00 0.00 178.44 177.34 1iu4 n ASP 14 N -4.10 0.50 -4.55 1.25 5.68 -1.26 -4.74 116.55 109.34 1iu4 n ASP 14 Ca 0.20 0.09 -0.41 0.00 -0.50 0.00 0.00 54.79 54.17 1iu4 n ASP 14 Cb 1.08 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 41.01 1iu4 n ASP 14 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1iu4 s ARG 15 N -3.06 3.26 0.61 0.11 3.52 -0.21 -5.02 118.95 118.15 1iu4 s ARG 15 Ca 0.10 -0.41 -0.18 0.00 -0.13 0.00 0.00 55.73 55.11 1iu4 s ARG 15 Cb 0.16 -4.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1iu4 s ARG 15 CO 0.67 -2.15 1.21 1.41 -0.81 0.00 0.00 175.30 175.63 1iu4 s MET 16 N 5.57 2.87 0.31 5.12 1.75 -1.26 -4.74 119.30 128.92 1iu4 s MET 16 Ca 0.37 1.84 -0.13 0.00 -1.25 0.00 0.00 55.69 56.52 1iu4 s MET 16 Cb -0.07 -1.91 -0.08 0.00 2.84 0.00 0.00 34.83 35.61 1iu4 s MET 16 CO 0.11 -1.29 0.69 -1.25 -0.65 0.00 0.00 175.02 172.63 1iu4 s PRO 17 N -3.39 3.91 0.77 4.11 0.05 -1.26 -4.96 135.00 134.23 1iu4 s PRO 17 Ca 0.78 0.53 -0.13 0.00 0.05 0.00 0.00 61.00 62.23 1iu4 s PRO 17 Cb -0.31 -2.48 0.06 0.00 0.05 0.00 0.00 34.50 31.82 1iu4 s PRO 17 CO 0.35 0.17 1.15 -0.51 0.05 0.00 0.00 177.00 178.20 1iu4 s ASP 18 N -2.45 4.15 -0.07 6.66 -0.00 -1.26 -4.94 116.67 118.76 1iu4 s ASP 18 Ca 0.52 2.12 -0.30 0.00 -0.00 0.00 0.00 52.55 54.89 1iu4 s ASP 18 Cb -0.10 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 1iu4 s ASP 18 CO 0.21 -2.28 1.22 -2.16 -0.00 0.00 0.00 175.17 172.16 1iu4 s PRO 19 N -4.35 4.33 0.17 8.23 0.04 -1.26 -4.76 135.00 137.39 1iu4 s PRO 19 Ca 0.68 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1iu4 s PRO 19 Cb -0.23 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1iu4 s PRO 19 CO 0.50 -0.49 0.08 2.48 0.04 0.00 0.00 177.00 179.60 1iu4 n TYR 20 N 5.42 -0.03 -3.58 0.56 0.18 -1.25 -4.94 117.16 113.51 1iu4 n TYR 20 Ca 0.12 -1.15 -0.17 0.00 1.88 0.00 0.00 57.90 58.58 1iu4 n TYR 20 Cb 0.46 0.03 -0.14 0.00 -0.38 0.00 0.00 39.34 39.30 1iu4 n TYR 20 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 1iu4 s ARG 21 N -2.65 0.13 -0.21 -3.48 3.03 -1.26 -2.17 118.95 112.33 1iu4 s ARG 21 Ca 0.11 0.40 -0.29 0.00 2.03 0.00 0.00 55.73 57.98 1iu4 s ARG 21 Cb 0.01 -0.73 -0.03 0.00 -1.03 0.00 0.00 34.95 33.17 1iu4 s ARG 21 CO 0.08 -0.48 1.58 -1.25 -1.13 0.00 0.00 175.30 174.09 1iu4 s PRO 22 N 2.32 3.85 -0.13 3.89 0.04 -1.26 -4.08 135.00 139.64 1iu4 s PRO 22 Ca 0.04 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1iu4 s PRO 22 Cb -0.14 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.41 1iu4 s PRO 22 CO -0.09 -1.22 -0.17 0.45 0.04 0.00 0.00 177.00 176.01 1iu4 s SER 23 N 3.95 2.70 -1.32 6.66 0.15 -0.76 -4.83 113.70 120.24 1iu4 s SER 23 Ca 0.70 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 1iu4 s SER 23 Cb -0.25 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1iu4 s SER 23 CO 0.28 0.01 0.04 -1.22 1.20 0.00 0.00 173.24 173.55 1iu4 n TYR 24 N 4.36 -0.81 0.00 3.44 0.53 -1.26 -3.34 117.16 120.08 1iu4 n TYR 24 Ca -0.19 0.04 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 1iu4 n TYR 24 Cb 0.51 -3.26 0.00 0.00 -1.03 0.00 0.00 39.34 35.55 1iu4 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iu4 n GLY 25 N -1.04 2.90 3.63 2.72 0.00 -1.26 -4.96 105.19 107.17 1iu4 n GLY 25 Ca -0.18 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1iu4 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iu4 s ARG 26 N 0.00 4.09 0.08 1.61 0.52 -1.21 -0.70 118.95 123.33 1iu4 s ARG 26 Ca 0.00 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1iu4 s ARG 26 Cb 0.00 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 1iu4 s ARG 26 CO 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 175.30 175.20 1iu4 s ALA 27 N 1.81 3.56 0.01 2.13 0.00 -0.87 -1.84 121.76 126.56 1iu4 s ALA 27 Ca 0.17 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1iu4 s ALA 27 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.55 1iu4 s ALA 27 CO 0.09 0.75 0.28 -1.83 0.00 0.00 0.00 175.76 175.05 1iu4 s GLU 28 N -2.39 0.68 0.05 0.00 4.04 -1.26 -0.43 118.70 119.40 1iu4 s GLU 28 Ca 0.29 -0.33 -0.12 0.00 0.04 0.00 0.00 54.97 54.85 1iu4 s GLU 28 Cb -0.12 0.30 0.01 0.00 0.02 0.00 0.00 34.13 34.34 1iu4 s GLU 28 CO 0.22 -0.19 0.26 -0.08 -1.84 0.00 0.00 175.26 173.63 1iu4 s THR 29 N -1.74 0.10 0.60 1.83 -1.32 -1.08 -4.75 115.64 109.27 1iu4 s THR 29 Ca -0.11 -0.80 -0.18 0.00 -1.21 0.00 0.00 61.69 59.39 1iu4 s THR 29 Cb -0.04 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.87 1iu4 s THR 29 CO 0.01 -0.44 0.41 0.52 -2.21 0.00 0.00 174.62 172.91 1iu4 n VAL 30 N 0.48 1.83 -0.28 5.08 0.31 -1.26 -0.64 118.33 123.86 1iu4 n VAL 30 Ca -0.18 -0.48 -0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1iu4 n VAL 30 Cb 0.60 -0.59 0.12 0.00 -0.91 0.00 0.00 33.84 33.07 1iu4 n VAL 30 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1iu4 h VAL 31 N 0.07 1.01 -0.99 2.52 3.04 -0.34 -0.17 116.25 121.39 1iu4 h VAL 31 Ca -0.45 -0.29 0.16 0.00 -1.01 0.00 0.00 66.70 65.11 1iu4 h VAL 31 Cb 1.39 0.09 -0.09 0.00 -2.01 0.00 0.00 31.29 30.67 1iu4 h VAL 31 CO 0.45 0.15 0.62 0.78 -1.01 0.00 0.00 177.57 178.56 1iu4 h ASN 32 N 0.85 0.80 0.66 3.17 2.35 -1.89 0.13 115.58 121.65 1iu4 h ASN 32 Ca 0.34 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 56.11 1iu4 h ASN 32 Cb 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1iu4 h ASN 32 CO -0.18 0.36 -0.25 -1.13 -1.65 0.00 0.00 177.43 174.59 1iu4 h ASN 33 N 0.82 0.00 1.02 5.81 -1.24 -1.37 -3.28 115.58 117.34 1iu4 h ASN 33 Ca 0.53 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.35 1iu4 h ASN 33 Cb 0.74 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 1iu4 h ASN 33 CO -0.30 0.25 -1.04 0.22 -1.29 0.00 0.00 177.43 175.26 1iu4 h TYR 34 N 0.00 0.00 0.61 0.67 3.20 -0.11 -2.52 116.97 118.83 1iu4 h TYR 34 Ca -0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1iu4 h TYR 34 Cb 0.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1iu4 h TYR 34 CO 0.00 0.77 -0.48 0.82 -1.64 0.00 0.00 178.16 177.63 1iu4 h ILE 35 N 0.00 0.00 -0.01 1.81 2.04 -1.30 0.36 117.51 120.41 1iu4 h ILE 35 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1iu4 h ILE 35 Cb 1.65 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1iu4 h ILE 35 CO 0.09 0.00 -0.00 0.54 0.00 0.00 0.00 178.15 178.77 1iu4 n ARG 36 N -5.41 -0.00 -0.21 2.37 3.00 -1.23 -0.12 116.66 115.06 1iu4 n ARG 36 Ca -0.13 0.18 0.01 0.00 -0.01 0.00 0.00 57.85 57.91 1iu4 n ARG 36 Cb 0.46 -0.27 0.12 0.00 0.00 0.00 0.00 32.46 32.77 1iu4 n ARG 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1iu4 h LYS 37 N 0.00 0.27 0.52 5.56 3.64 -1.13 -2.19 116.57 123.24 1iu4 h LYS 37 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1iu4 h LYS 37 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1iu4 h LYS 37 CO -0.01 0.18 -0.47 2.35 -2.27 0.00 0.00 179.45 179.23 1iu4 h TRP 38 N 0.28 -1.28 0.00 1.91 7.01 0.32 -1.14 115.95 123.05 1iu4 h TRP 38 Ca 0.33 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1iu4 h TRP 38 Cb 0.50 0.49 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1iu4 h TRP 38 CO -0.24 -0.64 0.25 1.04 -2.79 0.00 0.00 178.44 176.05 1iu4 n GLN 39 N -5.55 0.09 0.00 2.65 6.02 -0.10 -0.87 117.38 119.62 1iu4 n GLN 39 Ca -0.12 0.55 -0.17 0.00 -0.01 0.00 0.00 57.00 57.25 1iu4 n GLN 39 Cb 0.45 -2.03 -0.14 0.00 1.02 0.00 0.00 30.24 29.54 1iu4 n GLN 39 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1iu4 h GLN 40 N 0.00 0.18 0.00 -1.09 1.08 -0.62 -3.40 115.11 111.27 1iu4 h GLN 40 Ca 0.00 -0.31 -0.26 0.00 -1.45 0.00 0.00 58.65 56.63 1iu4 h GLN 40 Cb 0.49 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.99 1iu4 h GLN 40 CO 0.00 0.98 -1.98 0.28 -0.95 0.00 0.00 178.83 177.15 1iu4 n VAL 41 N -3.34 0.99 -0.43 -0.54 0.31 -0.54 -4.78 118.33 110.00 1iu4 n VAL 41 Ca -0.26 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1iu4 n VAL 41 Cb 1.05 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1iu4 n VAL 41 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1iu4 n TYR 42 N -2.79 0.00 0.26 3.52 0.53 -0.05 -4.78 117.16 113.85 1iu4 n TYR 42 Ca -0.27 -0.27 0.12 0.00 -1.02 0.00 0.00 57.90 56.45 1iu4 n TYR 42 Cb 0.89 -0.03 0.14 0.00 -1.03 0.00 0.00 39.34 39.31 1iu4 n TYR 42 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1iu4 h SER 43 N 0.00 0.00 -0.06 7.72 4.64 -1.64 -3.27 113.55 120.94 1iu4 h SER 43 Ca 0.00 -0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.94 1iu4 h SER 43 Cb 0.70 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.68 1iu4 h SER 43 CO 0.00 0.01 1.82 1.41 -0.87 0.00 0.00 176.83 179.20 1iu4 n HIS 44 N -2.76 0.22 -3.22 4.77 8.25 -1.23 -4.09 115.22 117.17 1iu4 n HIS 44 Ca 0.03 0.07 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 1iu4 n HIS 44 Cb 0.52 -1.05 -0.08 0.00 1.12 0.00 0.00 29.99 30.50 1iu4 n HIS 44 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1iu4 s ARG 45 N 7.54 3.65 0.56 -0.41 3.00 -0.69 -2.00 118.95 130.60 1iu4 s ARG 45 Ca 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 55.73 56.91 1iu4 s ARG 45 Cb -0.85 -3.80 0.00 0.00 0.00 0.00 0.00 34.95 30.29 1iu4 s ARG 45 CO 0.51 -0.65 0.00 -0.40 0.00 0.00 0.00 175.30 174.76 1iu4 n ASP 46 N 5.79 0.00 0.22 0.23 3.85 -1.17 -2.80 116.55 122.67 1iu4 n ASP 46 Ca -0.04 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.19 1iu4 n ASP 46 Cb 0.49 0.00 0.80 0.00 -1.35 0.00 0.00 41.12 41.06 1iu4 n ASP 46 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1iu4 h GLY 47 N 0.00 0.00 -5.18 6.12 0.00 -1.88 -3.44 103.07 98.68 1iu4 h GLY 47 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1iu4 h GLY 47 CO 0.00 0.00 1.04 0.50 0.00 0.00 0.00 176.54 178.08 1iu4 s ARG 48 N -3.75 4.20 0.70 4.80 1.81 -1.12 -4.95 118.95 120.63 1iu4 s ARG 48 Ca -0.03 2.13 -0.15 0.00 -1.72 0.00 0.00 55.73 55.96 1iu4 s ARG 48 Cb 0.08 -3.88 0.02 0.00 -0.45 0.00 0.00 34.95 30.72 1iu4 s ARG 48 CO 0.27 -0.79 1.16 -1.59 -0.68 0.00 0.00 175.30 173.66 1iu4 s LYS 49 N 3.68 2.46 0.08 3.54 -2.85 -1.26 -1.70 119.74 123.69 1iu4 s LYS 49 Ca 0.71 1.57 -0.01 0.00 -1.00 0.00 0.00 55.97 57.23 1iu4 s LYS 49 Cb -0.33 -1.89 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 1iu4 s LYS 49 CO 0.28 -1.55 0.01 -0.65 0.10 0.00 0.00 175.35 173.55 1iu4 s GLN 50 N -4.01 0.73 0.04 1.78 -1.52 -1.26 -4.86 119.66 110.57 1iu4 s GLN 50 Ca 0.70 -1.28 -0.19 0.00 -1.95 0.00 0.00 55.36 52.64 1iu4 s GLN 50 Cb -0.25 0.23 -0.06 0.00 -0.22 0.00 0.00 33.01 32.71 1iu4 s GLN 50 CO 0.43 -0.17 0.54 -1.14 -0.25 0.00 0.00 175.29 174.70 1iu4 s GLN 51 N -3.96 4.18 0.16 2.91 0.74 -1.26 -4.56 119.66 117.86 1iu4 s GLN 51 Ca 0.13 0.67 -0.34 0.00 0.05 0.00 0.00 55.36 55.87 1iu4 s GLN 51 Cb 0.08 -3.26 -0.14 0.00 1.10 0.00 0.00 33.01 30.78 1iu4 s GLN 51 CO -0.06 0.58 1.51 -0.12 -0.55 0.00 0.00 175.29 176.65 1iu4 n MET 52 N 1.98 1.94 -1.42 1.67 0.00 -1.26 -4.97 117.12 115.06 1iu4 n MET 52 Ca -0.10 0.70 -0.27 0.00 -0.00 0.00 0.00 57.70 58.03 1iu4 n MET 52 Cb 0.51 -2.43 0.20 0.00 0.00 0.00 0.00 33.22 31.51 1iu4 n MET 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1iu4 n THR 53 N 3.03 0.00 0.17 1.12 -2.24 -1.26 -4.86 114.28 110.23 1iu4 n THR 53 Ca 0.16 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 61.08 1iu4 n THR 53 Cb 0.27 -1.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 1iu4 n THR 53 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1iu4 h GLU 54 N 0.00 -0.72 0.00 -0.78 4.22 -1.99 -3.11 114.58 112.21 1iu4 h GLU 54 Ca -0.38 0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.07 1iu4 h GLU 54 Cb 1.10 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1iu4 h GLU 54 CO 0.26 -0.48 -0.17 1.05 -2.18 0.00 0.00 179.01 177.49 1iu4 h GLU 55 N -0.75 0.00 -0.89 1.92 -0.00 -2.00 -1.56 114.58 111.31 1iu4 h GLU 55 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.40 1iu4 h GLU 55 Cb 0.73 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.43 1iu4 h GLU 55 CO -0.19 0.17 0.58 1.96 -0.00 0.00 0.00 179.01 181.53 1iu4 h GLN 56 N 0.00 1.03 -0.40 1.06 4.20 -1.94 -0.23 115.11 118.83 1iu4 h GLN 56 Ca -0.00 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1iu4 h GLN 56 Cb 0.96 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1iu4 h GLN 56 CO 0.02 0.68 -0.31 0.00 -0.67 0.00 0.00 178.83 178.56 1iu4 h ARG 57 N 1.06 0.91 -0.11 1.46 3.08 -1.35 0.12 114.38 119.55 1iu4 h ARG 57 Ca 0.36 -0.45 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1iu4 h ARG 57 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1iu4 h ARG 57 CO -0.12 1.10 -0.16 1.49 -1.07 0.00 0.00 179.97 181.22 1iu4 h GLU 58 N 0.73 -0.11 -0.50 0.04 4.57 -0.88 -0.88 114.58 117.55 1iu4 h GLU 58 Ca 0.07 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.36 1iu4 h GLU 58 Cb 0.89 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.41 1iu4 h GLU 58 CO 0.08 -0.08 -0.28 -1.49 -1.18 0.00 0.00 179.01 176.06 1iu4 h TRP 59 N -0.12 -0.76 -0.50 0.92 6.55 -0.95 -0.17 115.95 120.92 1iu4 h TRP 59 Ca 0.02 0.06 0.10 0.00 0.95 0.00 0.00 58.89 60.02 1iu4 h TRP 59 Cb 0.17 0.41 -0.08 0.00 -0.86 0.00 0.00 29.16 28.80 1iu4 h TRP 59 CO -0.62 -0.35 0.01 1.25 -1.05 0.00 0.00 178.44 177.68 1iu4 h LEU 60 N -0.16 -0.19 -0.36 -4.49 5.85 -0.82 -2.30 115.31 112.84 1iu4 h LEU 60 Ca 0.22 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1iu4 h LEU 60 Cb 0.52 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1iu4 h LEU 60 CO -0.60 -0.06 0.15 -1.54 -0.34 0.00 0.00 178.44 176.05 1iu4 n SER 61 N -5.22 0.14 0.00 1.25 3.41 -0.08 -1.56 113.62 111.56 1iu4 n SER 61 Ca 0.06 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1iu4 n SER 61 Cb 0.27 -0.45 0.60 0.00 -0.26 0.00 0.00 64.21 64.36 1iu4 n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iu4 n TYR 62 N -1.62 0.00 0.00 7.33 4.01 -0.86 -0.61 117.16 125.41 1iu4 n TYR 62 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1iu4 n TYR 62 Cb 0.16 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1iu4 n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iu4 n GLY 63 N 1.24 0.27 0.09 2.72 0.00 -0.60 -4.02 105.19 104.89 1iu4 n GLY 63 Ca 0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1iu4 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 h VAL 65 N 0.00 1.23 -0.79 0.00 3.04 -1.83 -3.28 116.25 114.61 1iu4 h VAL 65 Ca 0.04 -1.07 0.03 0.00 -1.01 0.00 0.00 66.70 64.70 1iu4 h VAL 65 Cb 0.09 1.53 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 1iu4 h VAL 65 CO -0.20 0.31 0.50 1.23 -1.01 0.00 0.00 177.57 178.40 1iu4 h GLY 66 N 0.93 1.14 1.53 3.17 0.00 -1.51 -1.93 103.07 106.40 1iu4 h GLY 66 Ca 0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 1iu4 h GLY 66 CO 0.04 0.32 -0.55 -0.24 0.00 0.00 0.00 176.54 176.10 1iu4 h VAL 67 N 0.97 1.33 -0.25 4.60 3.04 -1.76 -0.91 116.25 123.27 1iu4 h VAL 67 Ca 0.32 -1.82 0.02 0.00 -1.01 0.00 0.00 66.70 64.21 1iu4 h VAL 67 Cb 0.03 1.81 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1iu4 h VAL 67 CO -0.12 0.56 0.09 0.74 -1.01 0.00 0.00 177.57 177.83 1iu4 h THR 68 N 0.38 0.94 -0.43 3.17 2.02 -1.69 -1.34 112.91 115.96 1iu4 h THR 68 Ca 0.01 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1iu4 h THR 68 Cb 1.09 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1iu4 h THR 68 CO 0.10 0.04 0.06 -0.25 0.37 0.00 0.00 175.52 175.83 1iu4 h TRP 69 N 0.20 0.08 -0.19 3.16 2.91 -1.28 -1.38 115.95 119.45 1iu4 h TRP 69 Ca 0.11 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.98 1iu4 h TRP 69 Cb 0.07 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1iu4 h TRP 69 CO -0.12 -0.03 -0.58 -0.39 -1.03 0.00 0.00 178.44 176.29 1iu4 h VAL 70 N 0.18 1.32 -0.01 2.65 -1.51 -1.04 -2.68 116.25 115.15 1iu4 h VAL 70 Ca 0.21 -1.83 -0.06 0.00 -1.23 0.00 0.00 66.70 63.78 1iu4 h VAL 70 Cb 0.28 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1iu4 h VAL 70 CO -0.30 0.57 -0.30 0.78 -1.23 0.00 0.00 177.57 177.10 1iu4 h ASN 71 N 0.46 0.02 -0.01 4.19 -0.26 -1.15 -3.18 115.58 115.65 1iu4 h ASN 71 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1iu4 h ASN 71 Cb 1.15 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1iu4 h ASN 71 CO 0.11 0.32 -0.44 -1.54 -1.06 0.00 0.00 177.43 174.82 1iu4 n SER 72 N -4.18 1.88 0.00 5.81 3.41 -0.53 -4.79 113.62 115.22 1iu4 n SER 72 Ca -0.02 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1iu4 n SER 72 Cb 0.35 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1iu4 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iu4 n GLY 73 N 1.33 0.60 3.35 5.00 0.00 -1.03 -4.92 105.19 109.53 1iu4 n GLY 73 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1iu4 n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iu4 s GLN 74 N -0.33 0.55 0.07 1.61 -0.21 -1.09 -5.00 119.66 115.26 1iu4 s GLN 74 Ca 0.00 0.59 -0.30 0.00 0.02 0.00 0.00 55.36 55.67 1iu4 s GLN 74 Cb 0.00 0.27 -0.09 0.00 1.00 0.00 0.00 33.01 34.19 1iu4 s GLN 74 CO 0.00 -0.08 1.89 -0.47 -2.12 0.00 0.00 175.29 174.52 1iu4 s TYR 75 N 0.14 1.68 -0.34 0.91 6.14 -1.26 -4.38 117.35 120.24 1iu4 s TYR 75 Ca -0.01 -0.24 -0.28 0.00 0.64 0.00 0.00 57.07 57.18 1iu4 s TYR 75 Cb -0.03 -4.20 -0.12 0.00 0.42 0.00 0.00 41.96 38.03 1iu4 s TYR 75 CO 0.01 -5.17 1.40 -2.30 0.64 0.00 0.00 175.55 170.12 1iu4 n PRO 76 N 6.75 0.00 0.02 4.97 -0.02 -1.26 -4.87 135.00 140.59 1iu4 n PRO 76 Ca 0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1iu4 n PRO 76 Cb 0.40 -0.97 -0.09 0.00 -0.02 0.00 0.00 33.50 32.82 1iu4 n PRO 76 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1iu4 n THR 77 N 4.22 1.18 -2.77 3.45 -2.24 -1.26 -5.00 114.28 111.85 1iu4 n THR 77 Ca 0.36 -0.70 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 1iu4 n THR 77 Cb -0.02 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.50 1iu4 n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iu4 n ASN 78 N -2.86 -5.42 -0.01 3.42 4.13 -1.26 -4.93 115.26 108.33 1iu4 n ASN 78 Ca -0.11 -0.14 -0.17 0.00 1.68 0.00 0.00 54.58 55.84 1iu4 n ASN 78 Cb 0.86 -4.46 -0.13 0.00 -1.54 0.00 0.00 39.78 34.51 1iu4 n ASN 78 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1iu4 h ARG 79 N -0.67 0.19 -5.41 3.52 2.43 -1.94 -3.37 114.38 109.11 1iu4 h ARG 79 Ca -0.47 -0.27 -0.67 0.00 -0.81 0.00 0.00 59.98 57.76 1iu4 h ARG 79 Cb 1.33 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.83 1iu4 h ARG 79 CO 0.54 1.08 1.23 -1.17 -1.51 0.00 0.00 179.97 180.13 1iu4 s LEU 80 N -8.18 4.45 0.09 3.80 2.96 -1.26 -4.61 118.68 115.92 1iu4 s LEU 80 Ca -0.16 -2.00 0.09 0.00 -0.22 0.00 0.00 54.13 51.84 1iu4 s LEU 80 Cb -0.00 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 1iu4 s LEU 80 CO 0.77 -1.18 -0.23 0.00 -1.32 0.00 0.00 176.35 174.39 1iu4 s ALA 81 N 3.42 1.98 0.27 5.97 0.00 -1.26 -2.18 121.76 129.95 1iu4 s ALA 81 Ca 0.40 -1.26 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1iu4 s ALA 81 Cb -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1iu4 s ALA 81 CO -0.07 0.43 -0.05 -0.06 0.00 0.00 0.00 175.76 176.01 1iu4 s PHE 82 N -1.01 2.61 0.08 0.00 0.40 0.63 -0.78 117.98 119.90 1iu4 s PHE 82 Ca 0.09 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1iu4 s PHE 82 Cb -0.10 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.30 1iu4 s PHE 82 CO 0.04 0.64 0.17 0.00 0.70 0.00 0.00 175.22 176.77 1iu4 n ALA 83 N -0.82 -0.40 -3.74 5.36 0.00 -0.25 -0.27 120.51 120.39 1iu4 n ALA 83 Ca -0.06 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1iu4 n ALA 83 Cb 0.59 0.21 -0.18 0.00 0.00 0.00 0.00 19.45 20.07 1iu4 n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iu4 s SER 84 N -1.45 1.41 -0.13 0.00 0.15 -1.26 -4.49 113.70 107.93 1iu4 s SER 84 Ca 0.04 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1iu4 s SER 84 Cb -0.01 -0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 1iu4 s SER 84 CO 0.02 -0.20 -0.09 0.12 1.20 0.00 0.00 173.24 174.29 1iu4 s PHE 85 N 1.95 2.90 -0.88 3.44 2.19 -1.26 0.14 117.98 126.46 1iu4 s PHE 85 Ca 0.04 -0.44 -0.25 0.00 0.33 0.00 0.00 56.93 56.62 1iu4 s PHE 85 Cb -0.12 -1.87 -0.00 0.00 -1.31 0.00 0.00 43.02 39.72 1iu4 s PHE 85 CO -0.04 -0.08 1.68 0.34 1.83 0.00 0.00 175.22 178.94 1iu4 s ASP 86 N 0.21 5.75 0.55 6.13 -1.08 -0.65 -4.84 116.67 122.75 1iu4 s ASP 86 Ca -0.06 -0.76 0.30 0.00 -0.52 0.00 0.00 52.55 51.51 1iu4 s ASP 86 Cb -0.15 -2.56 1.60 0.00 -1.46 0.00 0.00 42.92 40.36 1iu4 s ASP 86 CO 0.04 -2.16 2.12 -0.33 0.52 0.00 0.00 175.17 175.37 1iu4 h GLU 87 N 11.16 0.00 0.00 4.34 4.39 -1.99 -2.22 114.58 130.26 1iu4 h GLU 87 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1iu4 h GLU 87 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1iu4 h GLU 87 CO 1.29 0.08 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.78 1iu4 h ASP 88 N 0.00 0.00 -0.21 1.42 5.19 -2.00 -2.29 116.42 118.53 1iu4 h ASP 88 Ca -0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1iu4 h ASP 88 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1iu4 h ASP 88 CO 0.01 0.20 0.44 0.08 -3.12 0.00 0.00 179.24 176.85 1iu4 h ARG 89 N -0.39 0.00 0.20 3.56 0.11 -1.99 -1.11 114.38 114.76 1iu4 h ARG 89 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1iu4 h ARG 89 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1iu4 h ARG 89 CO 0.00 0.00 -0.09 0.35 0.10 0.00 0.00 179.97 180.33 1iu4 h PHE 90 N 0.00 -0.24 -0.06 4.08 3.04 -1.53 -2.50 116.94 119.74 1iu4 h PHE 90 Ca 0.10 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 1iu4 h PHE 90 Cb 0.98 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1iu4 h PHE 90 CO 0.00 0.16 -0.32 1.57 -2.02 0.00 0.00 178.31 177.70 1iu4 h LYS 91 N -0.84 0.10 -0.00 1.11 2.10 -1.07 -0.67 116.57 117.30 1iu4 h LYS 91 Ca -0.03 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1iu4 h LYS 91 Cb 0.52 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1iu4 h LYS 91 CO 0.04 0.42 -0.07 -0.91 -2.00 0.00 0.00 179.45 176.93 1iu4 h ASN 92 N 0.09 0.00 0.88 7.07 2.35 -1.34 -2.90 115.58 121.74 1iu4 h ASN 92 Ca 0.01 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 1iu4 h ASN 92 Cb 0.62 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1iu4 h ASN 92 CO 0.05 0.08 -1.21 -0.08 -1.65 0.00 0.00 177.43 174.61 1iu4 h GLU 93 N 0.00 0.00 -6.23 0.81 4.81 -0.92 -3.15 114.58 109.91 1iu4 h GLU 93 Ca -0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1iu4 h GLU 93 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1iu4 h GLU 93 CO 0.01 0.52 0.98 -0.51 -0.73 0.00 0.00 179.01 179.27 1iu4 s LEU 94 N -6.17 4.26 0.00 1.64 1.43 -0.32 -0.33 118.68 119.19 1iu4 s LEU 94 Ca -0.01 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1iu4 s LEU 94 Cb 0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1iu4 s LEU 94 CO 0.80 -0.83 0.00 0.29 0.23 0.00 0.00 176.35 176.84 1iu4 n LYS 95 N 6.68 0.00 0.00 1.70 4.76 -1.26 -4.24 118.16 125.80 1iu4 n LYS 95 Ca 0.15 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.69 1iu4 n LYS 95 Cb 0.44 -4.21 0.01 0.00 -1.84 0.00 0.00 35.03 29.43 1iu4 n LYS 95 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1iu4 n ASN 96 N 0.00 2.07 -4.77 4.39 2.85 -1.23 -4.97 115.26 113.60 1iu4 n ASN 96 Ca 0.00 -1.53 -0.22 0.00 -0.11 0.00 0.00 54.58 52.71 1iu4 n ASN 96 Cb 0.00 0.39 -0.05 0.00 1.24 0.00 0.00 39.78 41.35 1iu4 n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1iu4 s GLY 97 N -2.18 1.62 0.03 8.20 0.00 0.55 -4.90 107.32 110.63 1iu4 s GLY 97 Ca 0.18 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1iu4 s GLY 97 CO 0.47 -1.59 -0.18 1.09 0.00 0.00 0.00 173.10 172.89 1iu4 s ARG 98 N -3.83 1.24 -0.50 2.90 1.70 -1.26 -4.72 118.95 114.48 1iu4 s ARG 98 Ca 0.35 -0.80 -0.28 0.00 -0.47 0.00 0.00 55.73 54.52 1iu4 s ARG 98 Cb -0.06 -1.28 -0.15 0.00 -0.57 0.00 0.00 34.95 32.89 1iu4 s ARG 98 CO 0.24 0.33 1.71 -2.30 -1.08 0.00 0.00 175.30 174.20 1iu4 n PRO 99 N 2.07 0.00 0.00 3.89 -0.02 -1.26 -5.00 135.00 134.68 1iu4 n PRO 99 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1iu4 n PRO 99 Cb 0.54 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1iu4 n PRO 99 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1iu4 n ARG 100 N 5.73 0.00 0.00 -0.52 0.63 -1.26 -4.59 116.66 116.65 1iu4 n ARG 100 Ca 0.43 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1iu4 n ARG 100 Cb -0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1iu4 n ARG 100 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1iu4 n SER 101 N 0.00 0.00 -2.27 6.15 2.88 -1.26 -3.97 113.62 115.15 1iu4 n SER 101 Ca 0.00 0.18 -0.33 0.00 -1.33 0.00 0.00 58.87 57.39 1iu4 n SER 101 Cb 0.00 -0.03 0.08 0.00 -0.75 0.00 0.00 64.21 63.51 1iu4 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iu4 n GLY 102 N 1.59 5.86 3.84 0.46 0.00 -1.26 -5.07 105.19 110.61 1iu4 n GLY 102 Ca 0.00 -2.28 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 1iu4 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iu4 s GLU 103 N -3.77 3.66 0.82 1.61 2.12 -1.25 -5.09 118.70 116.81 1iu4 s GLU 103 Ca 0.63 -0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 1iu4 s GLU 103 Cb 0.49 -3.25 0.15 0.00 0.26 0.00 0.00 34.13 31.78 1iu4 s GLU 103 CO 0.00 0.64 1.14 0.95 -0.54 0.00 0.00 175.26 177.46 1iu4 s THR 104 N -0.65 2.10 0.03 -1.70 -4.23 -1.26 -4.80 115.64 105.13 1iu4 s THR 104 Ca 0.14 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1iu4 s THR 104 Cb -0.12 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 70.72 1iu4 s THR 104 CO 0.03 0.00 1.27 0.03 -0.54 0.00 0.00 174.62 175.40 1iu4 h ARG 105 N -1.03 -1.01 -1.20 3.99 2.47 -1.98 -0.99 114.38 114.62 1iu4 h ARG 105 Ca -0.41 0.07 0.34 0.00 -1.26 0.00 0.00 59.98 58.72 1iu4 h ARG 105 Cb 1.26 0.23 -0.08 0.00 -1.65 0.00 0.00 29.97 29.73 1iu4 h ARG 105 CO 0.43 -0.67 0.81 0.00 0.56 0.00 0.00 179.97 181.10 1iu4 h ALA 106 N -1.21 2.74 0.14 0.04 0.00 -1.97 0.35 119.26 119.34 1iu4 h ALA 106 Ca -0.11 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1iu4 h ALA 106 Cb 0.81 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1iu4 h ALA 106 CO 0.18 -1.17 -1.17 1.05 0.00 0.00 0.00 179.25 178.14 1iu4 h GLU 107 N 0.17 0.30 -0.49 0.00 4.11 -1.89 0.37 114.58 117.15 1iu4 h GLU 107 Ca 0.64 -0.51 0.10 0.00 0.07 0.00 0.00 59.36 59.66 1iu4 h GLU 107 Cb 2.10 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 31.44 1iu4 h GLU 107 CO -0.20 1.24 -0.27 0.35 0.07 0.00 0.00 179.01 180.21 1iu4 h PHE 108 N -0.29 -0.71 -0.37 2.06 3.04 -0.25 0.91 116.94 121.33 1iu4 h PHE 108 Ca -0.23 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.77 1iu4 h PHE 108 Cb 1.75 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 40.63 1iu4 h PHE 108 CO 0.16 -0.34 0.22 0.93 -2.02 0.00 0.00 178.31 177.25 1iu4 h GLU 109 N -0.16 0.51 -0.75 1.11 5.08 -0.46 0.22 114.58 120.13 1iu4 h GLU 109 Ca 0.22 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.69 1iu4 h GLU 109 Cb 0.51 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 1iu4 h GLU 109 CO -0.58 0.40 -0.06 0.78 -1.00 0.00 0.00 179.01 178.55 1iu4 h GLY 110 N 0.48 0.75 1.33 -3.84 0.00 -0.54 0.07 103.07 101.31 1iu4 h GLY 110 Ca 0.13 0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 1iu4 h GLY 110 CO -0.02 -0.29 -1.07 0.07 0.00 0.00 0.00 176.54 175.22 1iu4 h ARG 111 N 0.06 0.00 -0.87 4.80 0.11 -0.79 -1.73 114.38 115.96 1iu4 h ARG 111 Ca 0.40 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.46 1iu4 h ARG 111 Cb 0.68 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.72 1iu4 h ARG 111 CO -0.70 0.34 0.47 0.28 0.10 0.00 0.00 179.97 180.45 1iu4 h VAL 112 N 0.00 1.26 0.16 0.08 2.07 -0.42 0.34 116.25 119.74 1iu4 h VAL 112 Ca -0.10 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1iu4 h VAL 112 Cb 1.47 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1iu4 h VAL 112 CO 0.05 0.29 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 1iu4 h ALA 113 N 1.26 -0.50 -0.51 1.67 0.00 -1.01 0.93 119.26 121.09 1iu4 h ALA 113 Ca 0.31 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1iu4 h ALA 113 Cb 0.04 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1iu4 h ALA 113 CO -0.05 -0.83 -0.48 -0.22 0.00 0.00 0.00 179.25 177.67 1iu4 h LYS 114 N -0.52 -0.28 0.00 0.00 3.64 -1.27 -1.18 116.57 116.95 1iu4 h LYS 114 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1iu4 h LYS 114 Cb 0.52 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1iu4 h LYS 114 CO -0.13 -0.19 0.08 0.93 -2.27 0.00 0.00 179.45 177.87 1iu4 h GLU 115 N -0.30 0.00 0.00 1.90 5.08 -0.69 -2.34 114.58 118.24 1iu4 h GLU 115 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1iu4 h GLU 115 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1iu4 h GLU 115 CO -0.65 0.00 -0.57 0.77 -1.00 0.00 0.00 179.01 177.57 1iu4 h SER 116 N 0.00 0.00 -4.08 1.42 0.02 0.47 -3.47 113.55 107.91 1iu4 h SER 116 Ca 0.00 -0.15 -0.54 0.00 -0.84 0.00 0.00 61.79 60.26 1iu4 h SER 116 Cb 0.16 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.83 1iu4 h SER 116 CO 0.00 0.07 0.53 -0.36 -1.14 0.00 0.00 176.83 175.93 1iu4 s PHE 117 N -3.19 2.30 -0.31 3.45 0.40 -0.88 -1.63 117.98 118.12 1iu4 s PHE 117 Ca 0.06 1.46 -0.01 0.00 -0.60 0.00 0.00 56.93 57.84 1iu4 s PHE 117 Cb 0.12 -3.64 0.10 0.00 0.51 0.00 0.00 43.02 40.12 1iu4 s PHE 117 CO 0.71 -2.59 0.11 0.34 0.70 0.00 0.00 175.22 174.50 1iu4 s ASP 118 N -1.32 3.89 0.42 1.36 -1.08 0.12 -4.94 116.67 115.13 1iu4 s ASP 118 Ca 0.76 -1.60 0.19 0.00 -0.52 0.00 0.00 52.55 51.37 1iu4 s ASP 118 Cb -0.36 -0.75 0.96 0.00 -1.46 0.00 0.00 42.92 41.32 1iu4 s ASP 118 CO 0.40 -0.41 1.89 -0.33 0.52 0.00 0.00 175.17 177.24 1iu4 h GLU 119 N 8.09 0.00 -0.80 4.34 5.08 -1.94 0.16 114.58 129.51 1iu4 h GLU 119 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1iu4 h GLU 119 Cb 1.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1iu4 h GLU 119 CO 0.46 0.28 0.52 0.93 -1.00 0.00 0.00 179.01 180.20 1iu4 h GLU 120 N 0.00 1.07 -0.19 2.33 3.07 -1.97 -2.62 114.58 116.27 1iu4 h GLU 120 Ca -0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 1iu4 h GLU 120 Cb 0.59 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1iu4 h GLU 120 CO 0.04 0.72 -0.05 0.87 -1.40 0.00 0.00 179.01 179.19 1iu4 h LYS 121 N 1.09 0.36 -0.85 2.33 6.56 -1.83 -0.11 116.57 124.13 1iu4 h LYS 121 Ca 0.29 -0.14 0.07 0.00 -1.06 0.00 0.00 60.65 59.81 1iu4 h LYS 121 Cb -0.11 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.47 1iu4 h LYS 121 CO -0.06 0.63 0.52 0.78 -2.06 0.00 0.00 179.45 179.26 1iu4 h GLY 122 N 0.08 1.29 0.60 3.86 0.00 -1.00 -1.59 103.07 106.31 1iu4 h GLY 122 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1iu4 h GLY 122 CO 0.02 0.24 -0.27 -2.75 0.00 0.00 0.00 176.54 173.78 1iu4 h PHE 123 N 0.94 -0.72 -0.75 5.60 3.57 -1.41 -1.05 116.94 123.11 1iu4 h PHE 123 Ca 0.38 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1iu4 h PHE 123 Cb 0.21 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1iu4 h PHE 123 CO -0.04 -0.38 0.37 -0.56 -2.23 0.00 0.00 178.31 175.48 1iu4 h GLN 124 N -0.52 1.07 0.23 1.11 -0.00 -0.40 0.26 115.11 116.86 1iu4 h GLN 124 Ca 0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 58.65 58.53 1iu4 h GLN 124 Cb 0.51 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.48 27.76 1iu4 h GLN 124 CO -0.11 0.81 -0.36 -0.09 -0.00 0.00 0.00 178.83 179.08 1iu4 h ARG 125 N 1.07 -0.64 -0.95 0.06 9.65 -1.25 0.60 114.38 122.92 1iu4 h ARG 125 Ca 0.26 0.04 0.23 0.00 -1.10 0.00 0.00 59.98 59.42 1iu4 h ARG 125 Cb 0.09 0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 28.69 1iu4 h ARG 125 CO -0.04 -0.42 0.50 0.00 2.80 0.00 0.00 179.97 182.81 1iu4 h ALA 126 N -0.14 1.62 -0.52 2.80 0.00 -0.70 0.31 119.26 122.63 1iu4 h ALA 126 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1iu4 h ALA 126 Cb 0.64 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1iu4 h ALA 126 CO -0.14 -0.31 0.24 0.00 0.00 0.00 0.00 179.25 179.04 1iu4 h ARG 127 N 0.49 0.45 0.49 0.00 3.08 0.38 0.16 114.38 119.42 1iu4 h ARG 127 Ca 0.60 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.60 1iu4 h ARG 127 Cb 1.15 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1iu4 h ARG 127 CO -0.50 0.30 -0.23 0.93 -1.07 0.00 0.00 179.97 179.39 1iu4 h GLU 128 N 0.46 -0.63 -0.77 0.04 5.08 0.21 -1.53 114.58 117.44 1iu4 h GLU 128 Ca 0.24 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.82 1iu4 h GLU 128 Cb 0.19 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 1iu4 h GLU 128 CO -0.20 -0.34 0.06 0.28 -1.00 0.00 0.00 179.01 177.82 1iu4 h VAL 129 N -0.84 0.36 0.00 3.13 2.07 -0.52 0.29 116.25 120.74 1iu4 h VAL 129 Ca -0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1iu4 h VAL 129 Cb 0.58 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1iu4 h VAL 129 CO 0.11 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 177.62 1iu4 h ALA 130 N 1.70 1.21 0.10 1.67 0.00 -0.64 -0.21 119.26 123.10 1iu4 h ALA 130 Ca 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1iu4 h ALA 130 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iu4 h ALA 130 CO -0.64 0.14 -0.05 0.66 0.00 0.00 0.00 179.25 179.36 1iu4 h SER 131 N 0.00 -0.11 -0.81 0.00 4.64 0.11 -0.06 113.55 117.32 1iu4 h SER 131 Ca -0.00 -0.47 0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1iu4 h SER 131 Cb 0.36 0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 62.36 1iu4 h SER 131 CO 0.01 0.49 -0.38 0.52 -0.87 0.00 0.00 176.83 176.61 1iu4 n VAL 132 N -4.86 -0.47 -0.09 0.95 0.31 -0.70 -1.39 118.33 112.08 1iu4 n VAL 132 Ca -0.08 1.91 -0.07 0.00 -0.01 0.00 0.00 64.34 66.09 1iu4 n VAL 132 Cb 0.29 -2.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 1iu4 n VAL 132 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1iu4 h MET 133 N 0.00 0.30 -0.62 5.55 2.86 -0.93 -1.28 114.93 120.80 1iu4 h MET 133 Ca 0.22 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.97 1iu4 h MET 133 Cb 0.42 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.92 1iu4 h MET 133 CO -0.78 0.20 0.10 -0.91 1.06 0.00 0.00 176.91 176.58 1iu4 h ASN 134 N 0.30 -0.06 1.32 1.22 4.21 0.08 -1.56 115.58 121.09 1iu4 h ASN 134 Ca 0.14 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1iu4 h ASN 134 Cb 0.08 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1iu4 h ASN 134 CO -0.12 -0.03 -0.09 0.54 -1.29 0.00 0.00 177.43 176.45 1iu4 n ARG 135 N -5.17 0.23 0.17 0.81 1.74 -0.48 -1.58 116.66 112.38 1iu4 n ARG 135 Ca 0.09 0.17 0.16 0.00 -0.77 0.00 0.00 57.85 57.51 1iu4 n ARG 135 Cb 0.35 -1.75 0.77 0.00 -1.02 0.00 0.00 32.46 30.81 1iu4 n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iu4 h ALA 136 N 2.59 1.98 -0.14 7.54 0.00 -0.25 -3.30 119.26 127.68 1iu4 h ALA 136 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1iu4 h ALA 136 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1iu4 h ALA 136 CO 0.00 -0.32 -0.29 -0.07 0.00 0.00 0.00 179.25 178.57 1iu4 h LEU 137 N 0.00 0.49-10.07 0.00 4.07 -0.73 -3.38 115.31 105.69 1iu4 h LEU 137 Ca 0.11 -0.56 -0.46 0.00 0.08 0.00 0.00 57.88 57.05 1iu4 h LEU 137 Cb 0.51 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1iu4 h LEU 137 CO -0.00 0.96 0.29 -1.83 -1.08 0.00 0.00 178.44 176.78 1iu4 s GLU 138 N -3.98 4.14 0.00 1.13 -1.05 -1.23 -1.60 118.70 116.11 1iu4 s GLU 138 Ca -0.14 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 1iu4 s GLU 138 Cb 0.05 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 1iu4 s GLU 138 CO 0.79 -0.02 0.00 -1.71 0.95 0.00 0.00 175.26 175.26 1iu4 n ASN 139 N -0.72 0.00 -4.60 0.83 4.05 -1.26 -4.93 115.26 108.63 1iu4 n ASN 139 Ca 0.06 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.66 1iu4 n ASN 139 Cb 0.54 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.53 1iu4 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iu4 s ALA 140 N 0.00 3.14 -1.62 5.20 0.00 -0.63 -4.82 121.76 123.03 1iu4 s ALA 140 Ca 0.00 -0.29 0.17 0.00 0.00 0.00 0.00 51.96 51.84 1iu4 s ALA 140 Cb 0.00 -3.90 0.42 0.00 0.00 0.00 0.00 23.12 19.64 1iu4 s ALA 140 CO 0.00 -2.25 1.34 0.72 0.00 0.00 0.00 175.76 175.57 1iu4 n HIS 141 N 8.20 0.59 -4.07 0.00 8.25 -1.26 -0.67 115.22 126.26 1iu4 n HIS 141 Ca 0.14 -0.40 -0.11 0.00 -0.26 0.00 0.00 57.72 57.09 1iu4 n HIS 141 Cb 0.48 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 1iu4 n HIS 141 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1iu4 s ASP 142 N -1.09 0.08 0.29 0.41 1.47 -1.26 -4.66 116.67 111.90 1iu4 s ASP 142 Ca 0.34 -1.13 0.00 0.00 1.18 0.00 0.00 52.55 52.94 1iu4 s ASP 142 Cb 0.18 0.53 0.45 0.00 -0.34 0.00 0.00 42.92 43.74 1iu4 s ASP 142 CO 0.24 -1.06 1.83 -0.08 0.68 0.00 0.00 175.17 176.79 1iu4 h GLU 143 N 2.36 0.74 0.22 2.11 4.81 -1.93 -3.02 114.58 119.88 1iu4 h GLU 143 Ca -0.29 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1iu4 h GLU 143 Cb 1.25 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1iu4 h GLU 143 CO 0.41 0.70 -0.50 0.77 -0.73 0.00 0.00 179.01 179.67 1iu4 h SER 144 N 0.71 -1.45 -0.91 1.04 0.02 -1.97 0.04 113.55 111.04 1iu4 h SER 144 Ca 0.15 0.15 0.23 0.00 -0.84 0.00 0.00 61.79 61.48 1iu4 h SER 144 Cb 0.32 0.52 -0.16 0.00 0.14 0.00 0.00 62.40 63.22 1iu4 h SER 144 CO 0.00 -0.57 0.02 0.00 -1.14 0.00 0.00 176.83 175.14 1iu4 h ALA 145 N -0.53 1.02 -0.44 3.77 0.00 -1.94 -0.47 119.26 120.67 1iu4 h ALA 145 Ca -0.01 0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1iu4 h ALA 145 Cb 0.77 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1iu4 h ALA 145 CO -0.22 -0.50 0.04 -0.92 0.00 0.00 0.00 179.25 177.65 1iu4 h TYR 146 N 0.05 0.82 -0.18 0.00 3.20 -1.30 0.17 116.97 119.73 1iu4 h TYR 146 Ca 0.53 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 62.21 1iu4 h TYR 146 Cb 1.03 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1iu4 h TYR 146 CO -0.48 0.79 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.61 1iu4 h LEU 147 N 0.61 0.44 -1.00 2.82 3.38 -0.46 0.29 115.31 121.39 1iu4 h LEU 147 Ca 0.13 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1iu4 h LEU 147 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1iu4 h LEU 147 CO 0.02 0.81 -0.21 -0.78 0.09 0.00 0.00 178.44 178.37 1iu4 h ASP 148 N 0.08 0.47 -0.77 -0.43 1.82 -1.22 0.17 116.42 116.54 1iu4 h ASP 148 Ca 0.03 -0.14 0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1iu4 h ASP 148 Cb 0.67 -0.13 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1iu4 h ASP 148 CO 0.04 0.69 0.50 0.78 -1.61 0.00 0.00 179.24 179.64 1iu4 h ASN 149 N 0.43 0.59 0.18 2.28 2.35 -0.38 -2.49 115.58 118.54 1iu4 h ASN 149 Ca 0.07 0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.52 1iu4 h ASN 149 Cb 0.60 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1iu4 h ASN 149 CO 0.04 0.35 -1.53 0.25 -1.65 0.00 0.00 177.43 174.89 1iu4 h LEU 150 N 0.65 0.61 -2.72 1.61 5.85 -0.85 -1.36 115.31 119.10 1iu4 h LEU 150 Ca 0.36 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1iu4 h LEU 150 Cb 0.51 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1iu4 h LEU 150 CO -0.13 1.70 0.02 0.11 -0.34 0.00 0.00 178.44 179.79 1iu4 h LYS 151 N -0.02 0.00 0.00 1.25 1.57 -0.61 -1.90 116.57 116.87 1iu4 h LYS 151 Ca -0.30 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.12 1iu4 h LYS 151 Cb 2.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.24 1iu4 h LYS 151 CO 0.17 0.00 -2.37 1.63 -0.57 0.00 0.00 179.45 178.32 1iu4 n LYS 152 N -2.95 0.76 -0.31 3.15 5.02 -0.95 -3.87 118.16 119.02 1iu4 n LYS 152 Ca -0.03 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.41 1iu4 n LYS 152 Cb 0.08 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 33.95 1iu4 n LYS 152 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iu4 h GLU 153 N 0.00 0.70 0.00 1.97 4.39 -1.06 -1.86 114.58 118.72 1iu4 h GLU 153 Ca -0.54 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.00 1iu4 h GLU 153 Cb 2.14 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1iu4 h GLU 153 CO 0.00 0.46 -0.57 1.25 -1.16 0.00 0.00 179.01 178.99 1iu4 h LEU 154 N 0.72 0.00 0.00 1.33 5.85 -1.57 -3.31 115.31 118.33 1iu4 h LEU 154 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1iu4 h LEU 154 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1iu4 h LEU 154 CO -0.26 0.57 -0.36 0.00 -0.34 0.00 0.00 178.44 178.06 1iu4 h ALA 155 N 1.43 0.82 0.01 1.25 0.00 -1.45 -3.15 119.26 118.16 1iu4 h ALA 155 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1iu4 h ALA 155 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1iu4 h ALA 155 CO 0.07 0.00 -0.32 -0.97 0.00 0.00 0.00 179.25 178.03 1iu4 h ASN 156 N 0.00 0.27 -2.41 0.00 -1.24 -1.57 -3.42 115.58 107.20 1iu4 h ASN 156 Ca 0.00 -0.80 -0.25 0.00 0.71 0.00 0.00 56.30 55.96 1iu4 h ASN 156 Cb 0.99 -0.08 0.14 0.00 0.73 0.00 0.00 38.32 40.10 1iu4 h ASN 156 CO 0.00 1.04 -0.05 0.61 -1.29 0.00 0.00 177.43 177.74 1iu4 n GLY 157 N 1.14 -3.48 2.19 1.57 0.00 -1.25 -4.99 105.19 100.37 1iu4 n GLY 157 Ca -0.10 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1iu4 n GLY 157 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iu4 n ASN 158 N -4.65 3.80 -4.58 1.61 4.13 -1.25 -4.89 115.26 109.42 1iu4 n ASN 158 Ca 0.09 -3.24 -0.40 0.00 1.68 0.00 0.00 54.58 52.71 1iu4 n ASN 158 Cb 0.39 -0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 1iu4 n ASN 158 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1iu4 s ASP 159 N -3.62 5.24 0.50 6.41 -1.08 -1.19 -4.89 116.67 118.05 1iu4 s ASP 159 Ca 0.43 1.20 0.32 0.00 -0.52 0.00 0.00 52.55 53.98 1iu4 s ASP 159 Cb 0.38 -2.52 1.10 0.00 -1.46 0.00 0.00 42.92 40.42 1iu4 s ASP 159 CO 0.01 -2.24 1.21 0.00 0.52 0.00 0.00 175.17 174.68 1iu4 n ALA 160 N 12.73 1.20 -0.01 3.66 0.00 -1.26 0.11 120.51 136.94 1iu4 n ALA 160 Ca 0.28 0.41 0.14 0.00 0.00 0.00 0.00 53.44 54.28 1iu4 n ALA 160 Cb 0.50 -0.72 0.58 0.00 0.00 0.00 0.00 19.45 19.81 1iu4 n ALA 160 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iu4 h LEU 161 N 0.00 0.20 -0.89 0.00 5.85 -1.89 0.93 115.31 119.51 1iu4 h LEU 161 Ca 0.60 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.59 1iu4 h LEU 161 Cb 2.85 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 43.68 1iu4 h LEU 161 CO -0.01 0.12 0.12 0.54 -0.34 0.00 0.00 178.44 178.87 1iu4 n ARG 162 N -4.45 -0.07 -0.00 1.25 5.12 0.12 -1.10 116.66 117.53 1iu4 n ARG 162 Ca 0.08 1.31 0.15 0.00 -1.93 0.00 0.00 57.85 57.47 1iu4 n ARG 162 Cb 0.42 -2.14 0.88 0.00 -1.16 0.00 0.00 32.46 30.46 1iu4 n ARG 162 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1iu4 n ASN 163 N -5.24 0.19 -4.75 0.55 3.02 0.32 -4.90 115.26 104.46 1iu4 n ASN 163 Ca 0.24 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 1iu4 n ASN 163 Cb 0.79 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 1iu4 n ASN 163 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1iu4 s GLU 164 N -2.00 4.39 0.79 3.52 2.56 -0.26 -4.89 118.70 122.83 1iu4 s GLU 164 Ca 0.46 2.10 -0.17 0.00 0.00 0.00 0.00 54.97 57.36 1iu4 s GLU 164 Cb 0.21 -3.15 -0.15 0.00 2.00 0.00 0.00 34.13 33.05 1iu4 s GLU 164 CO 0.36 -0.20 -0.53 -3.47 -0.56 0.00 0.00 175.26 170.86 1iu4 n ASP 165 N 1.87 -5.07 -0.25 -1.70 2.03 -1.26 -4.81 116.55 107.36 1iu4 n ASP 165 Ca 0.03 0.38 -0.05 0.00 0.52 0.00 0.00 54.79 55.67 1iu4 n ASP 165 Cb 0.42 -0.80 0.10 0.00 -0.72 0.00 0.00 41.12 40.13 1iu4 n ASP 165 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iu4 h ALA 166 N -0.59 1.10 -0.40 -1.67 0.00 -1.98 -2.39 119.26 113.34 1iu4 h ALA 166 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1iu4 h ALA 166 Cb 1.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iu4 h ALA 166 CO 0.31 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.73 1iu4 n ARG 167 N -4.28 3.50 -1.06 0.00 1.74 -1.26 -4.09 116.66 111.20 1iu4 n ARG 167 Ca 0.07 -2.83 -0.34 0.00 -0.77 0.00 0.00 57.85 53.97 1iu4 n ARG 167 Cb 0.19 -1.88 0.11 0.00 -1.02 0.00 0.00 32.46 29.86 1iu4 n ARG 167 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iu4 n SER 168 N 0.11 -0.34 -0.33 0.55 3.41 -0.90 -4.71 113.62 111.41 1iu4 n SER 168 Ca 0.22 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 1iu4 n SER 168 Cb 0.91 -1.36 0.19 0.00 -0.26 0.00 0.00 64.21 63.69 1iu4 n SER 168 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1iu4 h PRO 169 N -0.94 0.02 -0.10 4.33 0.11 -1.90 -1.44 132.00 132.07 1iu4 h PRO 169 Ca -0.45 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1iu4 h PRO 169 Cb 1.31 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1iu4 h PRO 169 CO 0.42 0.01 -0.10 0.35 -0.21 0.00 0.00 178.00 178.48 1iu4 h PHE 170 N 0.02 -0.30 0.00 0.65 3.04 -1.90 -1.31 116.94 117.14 1iu4 h PHE 170 Ca 0.50 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.35 1iu4 h PHE 170 Cb 0.89 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1iu4 h PHE 170 CO -0.60 -0.08 -0.57 1.88 -2.02 0.00 0.00 178.31 176.92 1iu4 h TYR 171 N -0.05 0.00 0.00 0.41 0.99 -1.70 -2.79 116.97 113.83 1iu4 h TYR 171 Ca 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1iu4 h TYR 171 Cb 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.82 1iu4 h TYR 171 CO -0.73 0.57 -0.06 0.77 -0.00 0.00 0.00 178.16 178.71 1iu4 h SER 172 N 0.00 0.00 -0.54 3.88 0.02 -1.30 -3.38 113.55 112.23 1iu4 h SER 172 Ca -0.01 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1iu4 h SER 172 Cb 1.22 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.65 1iu4 h SER 172 CO 0.07 0.06 -0.24 0.00 -1.14 0.00 0.00 176.83 175.58 1iu4 h ALA 173 N 1.94 0.13 0.28 3.77 0.00 -0.94 0.31 119.26 124.75 1iu4 h ALA 173 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1iu4 h ALA 173 Cb 0.16 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1iu4 h ALA 173 CO 0.01 -0.57 -0.14 1.25 0.00 0.00 0.00 179.25 179.80 1iu4 h LEU 174 N -0.11 -0.32 -1.53 0.00 7.12 -1.81 -2.99 115.31 115.67 1iu4 h LEU 174 Ca 0.25 -0.15 0.05 0.00 0.13 0.00 0.00 57.88 58.16 1iu4 h LEU 174 Cb 0.50 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 1iu4 h LEU 174 CO -0.62 -0.01 0.39 0.08 -0.13 0.00 0.00 178.44 178.15 1iu4 h ARG 175 N -0.65 0.57 -0.04 1.25 0.11 -1.67 -2.93 114.38 111.02 1iu4 h ARG 175 Ca -0.04 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1iu4 h ARG 175 Cb 0.46 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1iu4 h ARG 175 CO 0.06 0.38 0.00 0.27 0.10 0.00 0.00 179.97 180.78 1iu4 n ASN 176 N -4.47 1.07 -4.62 0.08 2.04 0.10 -4.74 115.26 104.71 1iu4 n ASN 176 Ca 0.08 -1.41 -0.43 0.00 -0.44 0.00 0.00 54.58 52.38 1iu4 n ASN 176 Cb 0.21 -0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.42 1iu4 n ASN 176 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1iu4 s THR 177 N -1.96 3.57 0.10 5.53 -1.32 -1.11 -4.96 115.64 115.48 1iu4 s THR 177 Ca 0.39 0.62 -0.22 0.00 -1.21 0.00 0.00 61.69 61.27 1iu4 s THR 177 Cb 0.20 -3.62 -0.07 0.00 -1.51 0.00 0.00 72.50 67.50 1iu4 s THR 177 CO 0.32 -0.30 1.37 -0.65 -2.21 0.00 0.00 174.62 173.15 1iu4 h PRO 178 N 11.55 -0.17 -0.52 7.08 0.11 -1.90 0.15 132.00 148.31 1iu4 h PRO 178 Ca -0.35 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.92 1iu4 h PRO 178 Cb 1.17 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1iu4 h PRO 178 CO 1.00 -0.11 1.08 -1.13 -0.21 0.00 0.00 178.00 178.63 1iu4 n SER 179 N -4.51 0.00 -0.06 -2.05 3.41 -1.26 -1.37 113.62 107.78 1iu4 n SER 179 Ca -0.01 0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 59.07 1iu4 n SER 179 Cb 0.21 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1iu4 n SER 179 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1iu4 h PHE 180 N 0.00 0.60 0.00 7.33 3.57 -0.89 -3.22 116.94 124.33 1iu4 h PHE 180 Ca 0.25 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1iu4 h PHE 180 Cb 2.40 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 41.02 1iu4 h PHE 180 CO 0.00 0.90 0.00 1.63 -2.23 0.00 0.00 178.31 178.61 1iu4 n LYS 181 N -4.40 0.69 -3.47 1.11 5.02 -0.47 0.17 118.16 116.81 1iu4 n LYS 181 Ca -0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1iu4 n LYS 181 Cb 0.45 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1iu4 n LYS 181 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iu4 s GLU 182 N -2.00 3.98 0.13 1.97 2.02 -1.12 -4.41 118.70 119.28 1iu4 s GLU 182 Ca 0.20 0.42 -0.26 0.00 0.02 0.00 0.00 54.97 55.34 1iu4 s GLU 182 Cb 0.09 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 1iu4 s GLU 182 CO 0.15 0.62 1.61 -0.09 0.02 0.00 0.00 175.26 177.58 1iu4 h ARG 183 N 4.95 -0.41 -0.30 1.61 2.43 -1.92 -0.69 114.38 120.05 1iu4 h ARG 183 Ca -0.50 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1iu4 h ARG 183 Cb 1.21 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1iu4 h ARG 183 CO 0.63 -0.27 -0.11 0.27 -1.51 0.00 0.00 179.97 178.98 1iu4 n ASN 184 N -5.41 -0.18 -3.62 -3.80 6.94 -1.26 -4.59 115.26 103.34 1iu4 n ASN 184 Ca -0.04 0.52 -0.15 0.00 -0.02 0.00 0.00 54.58 54.89 1iu4 n ASN 184 Cb 0.33 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 1iu4 n ASN 184 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1iu4 s GLY 185 N -3.63 -0.38 0.00 4.83 0.00 -0.64 -4.98 107.32 102.51 1iu4 s GLY 185 Ca -0.04 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1iu4 s GLY 185 CO 0.21 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.44 1iu4 n GLY 186 N 0.96 1.65 2.60 0.20 0.00 -1.25 -2.79 105.19 106.55 1iu4 n GLY 186 Ca -0.20 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1iu4 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iu4 n ASN 187 N 3.67 -3.10 0.00 1.61 4.05 0.13 -2.24 115.26 119.38 1iu4 n ASN 187 Ca 0.00 -0.36 0.00 0.00 0.45 0.00 0.00 54.58 54.67 1iu4 n ASN 187 Cb 0.00 -3.30 0.00 0.00 1.23 0.00 0.00 39.78 37.71 1iu4 n ASN 187 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1iu4 n HIS 188 N -3.36 0.00 -3.65 1.20 8.25 -0.38 -4.92 115.22 112.36 1iu4 n HIS 188 Ca -0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.97 1iu4 n HIS 188 Cb 0.58 -1.98 -0.09 0.00 1.12 0.00 0.00 29.99 29.62 1iu4 n HIS 188 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1iu4 s ASP 189 N -1.99 5.52 0.33 0.41 3.68 -0.95 -4.03 116.67 119.63 1iu4 s ASP 189 Ca 0.00 -2.23 0.09 0.00 2.13 0.00 0.00 52.55 52.54 1iu4 s ASP 189 Cb 0.00 -1.93 0.96 0.00 -1.45 0.00 0.00 42.92 40.51 1iu4 s ASP 189 CO 0.00 -0.56 1.59 -0.65 0.13 0.00 0.00 175.17 175.67 1iu4 h PRO 190 N 7.94 0.04 -0.05 4.34 0.11 -1.81 -1.93 132.00 140.65 1iu4 h PRO 190 Ca -0.12 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1iu4 h PRO 190 Cb 1.03 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1iu4 h PRO 190 CO 0.77 0.03 0.06 0.66 -0.21 0.00 0.00 178.00 179.30 1iu4 h SER 191 N 0.04 0.00 0.00 -2.05 4.64 -0.77 -0.01 113.55 115.40 1iu4 h SER 191 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1iu4 h SER 191 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1iu4 h SER 191 CO -0.83 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.67 1iu4 n ARG 192 N -3.86 0.73 -4.65 4.77 1.74 -0.72 -4.79 116.66 109.88 1iu4 n ARG 192 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1iu4 n ARG 192 Cb 0.15 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 1iu4 n ARG 192 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1iu4 s MET 193 N -1.72 2.03 -0.05 5.56 -1.94 -0.02 -1.00 119.30 122.16 1iu4 s MET 193 Ca 0.00 -2.23 -0.05 0.00 -1.71 0.00 0.00 55.69 51.70 1iu4 s MET 193 Cb 0.00 -1.38 0.01 0.00 2.01 0.00 0.00 34.83 35.47 1iu4 s MET 193 CO 0.00 -0.25 0.14 -1.59 -0.01 0.00 0.00 175.02 173.31 1iu4 s LYS 194 N -3.80 0.20 0.19 2.03 -2.85 0.23 -4.46 119.74 111.28 1iu4 s LYS 194 Ca 0.21 0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 55.01 1iu4 s LYS 194 Cb 0.05 0.10 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 1iu4 s LYS 194 CO 0.11 -0.03 1.38 0.00 0.10 0.00 0.00 175.35 176.91 1iu4 s ALA 195 N -0.09 3.59 0.05 0.59 0.00 -1.26 -1.40 121.76 123.24 1iu4 s ALA 195 Ca -0.02 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1iu4 s ALA 195 Cb -0.02 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1iu4 s ALA 195 CO 0.00 -0.62 -0.13 0.14 0.00 0.00 0.00 175.76 175.15 1iu4 s VAL 196 N 0.42 0.99 0.07 0.00 -7.23 0.37 -4.74 120.40 110.28 1iu4 s VAL 196 Ca 0.60 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.78 1iu4 s VAL 196 Cb -0.38 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1iu4 s VAL 196 CO 0.37 -0.12 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.22 1iu4 s ILE 197 N -1.03 1.53 0.17 -0.62 1.01 1.00 -0.64 121.20 122.62 1iu4 s ILE 197 Ca -0.01 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.13 1iu4 s ILE 197 Cb -0.09 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.03 1iu4 s ILE 197 CO 0.01 -0.01 0.47 -0.72 0.00 0.00 0.00 174.94 174.70 1iu4 s TYR 198 N -1.04 -0.11 -0.02 3.97 1.13 -1.10 -0.63 117.35 119.56 1iu4 s TYR 198 Ca 0.05 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1iu4 s TYR 198 Cb -0.09 0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 1iu4 s TYR 198 CO 0.03 -0.84 -0.13 0.45 -2.51 0.00 0.00 175.55 172.55 1iu4 s SER 199 N -2.86 4.16 -0.22 -0.18 0.15 -0.37 -0.29 113.70 114.08 1iu4 s SER 199 Ca 0.08 -0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1iu4 s SER 199 Cb 0.00 -0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 1iu4 s SER 199 CO -0.05 0.31 0.02 -0.75 1.20 0.00 0.00 173.24 173.97 1iu4 s LYS 200 N -1.08 3.60 -0.07 5.44 2.20 -0.24 -1.86 119.74 127.74 1iu4 s LYS 200 Ca 0.14 -0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 55.07 1iu4 s LYS 200 Cb -0.11 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1iu4 s LYS 200 CO 0.03 -0.10 0.43 -1.01 -0.36 0.00 0.00 175.35 174.34 1iu4 s HIS 201 N 1.32 3.61 0.33 4.03 3.76 -0.94 -0.59 115.29 126.81 1iu4 s HIS 201 Ca 0.04 0.91 -0.18 0.00 -0.15 0.00 0.00 55.06 55.68 1iu4 s HIS 201 Cb -0.15 -2.41 0.05 0.00 1.11 0.00 0.00 32.58 31.19 1iu4 s HIS 201 CO 0.02 0.40 0.81 -0.59 -0.85 0.00 0.00 174.74 174.52 1iu4 s PHE 202 N -0.20 0.02 -0.11 1.40 -0.71 -0.74 -2.09 117.98 115.55 1iu4 s PHE 202 Ca 0.24 -0.60 -0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1iu4 s PHE 202 Cb -0.16 0.78 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 1iu4 s PHE 202 CO 0.11 -1.39 0.07 -0.46 -1.34 0.00 0.00 175.22 172.21 1iu4 s TRP 203 N -2.75 3.35 0.05 3.49 -0.11 -1.25 -1.54 118.94 120.19 1iu4 s TRP 203 Ca 0.15 0.31 -0.15 0.00 1.22 0.00 0.00 56.10 57.63 1iu4 s TRP 203 Cb -0.05 -1.89 -0.27 0.00 -1.50 0.00 0.00 33.47 29.76 1iu4 s TRP 203 CO 0.09 0.53 1.12 0.66 -4.62 0.00 0.00 176.95 174.73 1iu4 h SER 204 N 5.32 0.85 -2.39 5.86 4.64 -1.91 -3.37 113.55 122.55 1iu4 h SER 204 Ca -0.50 -0.80 -0.77 0.00 -0.47 0.00 0.00 61.79 59.25 1iu4 h SER 204 Cb 1.20 -0.26 -0.21 0.00 -0.31 0.00 0.00 62.40 62.82 1iu4 h SER 204 CO 0.58 1.55 1.25 0.61 -0.87 0.00 0.00 176.83 179.95 1iu4 n GLY 205 N 1.28 4.18 0.12 -0.77 0.00 -1.26 -4.50 105.19 104.25 1iu4 n GLY 205 Ca -0.13 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.70 1iu4 n GLY 205 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1iu4 h GLN 206 N 6.41 0.00 -5.70 1.61 4.20 -1.84 -3.40 115.11 116.38 1iu4 h GLN 206 Ca 0.29 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.48 1iu4 h GLN 206 Cb 0.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1iu4 h GLN 206 CO 1.31 0.15 1.59 -3.47 -0.67 0.00 0.00 178.83 177.74 1iu4 n ASP 207 N -2.85 2.44 -0.25 1.46 -0.08 -1.26 -4.90 116.55 111.11 1iu4 n ASP 207 Ca -0.03 -0.20 -0.07 0.00 -1.51 0.00 0.00 54.79 52.99 1iu4 n ASP 207 Cb 0.67 -1.51 -0.06 0.00 2.34 0.00 0.00 41.12 42.55 1iu4 n ASP 207 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1iu4 n ARG 208 N 8.85 -0.26 -0.33 -0.67 0.63 -1.26 -1.65 116.66 121.97 1iu4 n ARG 208 Ca 0.37 1.30 0.03 0.00 -0.92 0.00 0.00 57.85 58.63 1iu4 n ARG 208 Cb 0.46 -1.92 0.16 0.00 0.45 0.00 0.00 32.46 31.61 1iu4 n ARG 208 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1iu4 n SER 209 N -4.33 2.71 -1.39 6.15 2.88 -1.26 -4.81 113.62 113.58 1iu4 n SER 209 Ca 0.01 -2.32 0.00 0.00 -1.33 0.00 0.00 58.87 55.23 1iu4 n SER 209 Cb 0.15 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1iu4 n SER 209 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1iu4 n SER 210 N 0.27 0.00 -4.90 -3.46 3.41 -0.66 -5.07 113.62 103.21 1iu4 n SER 210 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.52 1iu4 n SER 210 Cb 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1iu4 n SER 210 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iu4 s SER 211 N -1.41 5.13 0.01 4.04 1.04 -1.26 -5.03 113.70 116.22 1iu4 s SER 211 Ca 0.00 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 1iu4 s SER 211 Cb 0.00 -0.54 -0.06 0.00 0.10 0.00 0.00 66.02 65.52 1iu4 s SER 211 CO 0.00 -0.70 1.04 0.00 0.98 0.00 0.00 173.24 174.57 1iu4 h ALA 212 N 0.95 -0.99 -0.76 5.32 0.00 -1.97 -2.38 119.26 119.43 1iu4 h ALA 212 Ca -0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1iu4 h ALA 212 Cb 1.27 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1iu4 h ALA 212 CO 0.55 -0.96 0.25 0.38 0.00 0.00 0.00 179.25 179.47 1iu4 h ASP 213 N -0.41 1.10 -0.88 0.00 2.03 -1.97 -1.58 116.42 114.71 1iu4 h ASP 213 Ca -0.04 -0.20 0.24 0.00 -0.73 0.00 0.00 57.03 56.30 1iu4 h ASP 213 Cb 0.29 -0.29 -0.16 0.00 -0.83 0.00 0.00 39.33 38.34 1iu4 h ASP 213 CO 0.06 1.00 0.02 1.17 -1.03 0.00 0.00 179.24 180.46 1iu4 n LYS 214 N -4.26 -0.07 0.00 4.15 4.81 -1.25 0.20 118.16 121.74 1iu4 n LYS 214 Ca 0.06 1.32 -0.08 0.00 -0.87 0.00 0.00 58.31 58.74 1iu4 n LYS 214 Cb 0.22 -2.10 0.08 0.00 0.02 0.00 0.00 35.03 33.25 1iu4 n LYS 214 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iu4 h ARG 215 N 0.00 0.55 0.00 1.64 3.08 -0.81 -0.30 114.38 118.54 1iu4 h ARG 215 Ca 0.53 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1iu4 h ARG 215 Cb 1.10 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1iu4 h ARG 215 CO -0.83 0.92 -0.17 0.87 -1.07 0.00 0.00 179.97 179.68 1iu4 h LYS 216 N 0.44 0.00 0.00 0.04 1.57 -0.31 -2.88 116.57 115.42 1iu4 h LYS 216 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1iu4 h LYS 216 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1iu4 h LYS 216 CO 0.09 0.15 -0.12 0.66 -0.57 0.00 0.00 179.45 179.66 1iu4 n TYR 217 N -3.13 0.00 0.00 -1.35 4.02 0.54 -4.86 117.16 112.39 1iu4 n TYR 217 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1iu4 n TYR 217 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1iu4 n TYR 217 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iu4 n GLY 218 N 0.36 4.65 3.50 2.72 0.00 -0.13 -4.09 105.19 112.21 1iu4 n GLY 218 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1iu4 n GLY 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iu4 s ASP 219 N 0.00 6.23 0.25 1.61 -1.08 -1.21 -4.02 116.67 118.45 1iu4 s ASP 219 Ca 0.00 -0.50 -0.05 0.00 -0.52 0.00 0.00 52.55 51.48 1iu4 s ASP 219 Cb 0.00 -2.24 0.33 0.00 -1.46 0.00 0.00 42.92 39.55 1iu4 s ASP 219 CO 0.00 -0.58 1.89 -0.65 0.52 0.00 0.00 175.17 176.34 1iu4 h PRO 220 N 8.70 1.14 -0.01 4.34 0.11 -1.86 -3.12 132.00 141.31 1iu4 h PRO 220 Ca -0.27 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1iu4 h PRO 220 Cb 1.11 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1iu4 h PRO 220 CO 0.80 0.75 -0.24 -0.25 -0.21 0.00 0.00 178.00 178.85 1iu4 n ASP 221 N -4.50 1.22 -4.78 -2.05 8.00 -1.26 -4.78 116.55 108.41 1iu4 n ASP 221 Ca 0.13 -1.05 -0.36 0.00 0.71 0.00 0.00 54.79 54.22 1iu4 n ASP 221 Cb 0.12 0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1iu4 n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iu4 s ALA 222 N -2.43 2.85 -0.27 2.24 0.00 -1.18 -4.20 121.76 118.77 1iu4 s ALA 222 Ca 0.26 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1iu4 s ALA 222 Cb 0.19 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1iu4 s ALA 222 CO 0.50 -0.58 0.00 1.19 0.00 0.00 0.00 175.76 176.86 1iu4 n PHE 223 N -0.86 -1.63 -1.95 0.00 3.01 -1.26 -4.97 117.46 109.80 1iu4 n PHE 223 Ca 0.09 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.20 1iu4 n PHE 223 Cb 0.50 -1.42 0.04 0.00 -0.01 0.00 0.00 39.48 38.59 1iu4 n PHE 223 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1iu4 s ARG 224 N -4.39 2.91 0.34 -1.08 0.52 -1.26 -4.89 118.95 111.10 1iu4 s ARG 224 Ca 0.00 1.73 -0.26 0.00 -0.52 0.00 0.00 55.73 56.68 1iu4 s ARG 224 Cb 0.00 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.44 1iu4 s ARG 224 CO 0.00 -1.23 1.00 -1.25 0.02 0.00 0.00 175.30 173.84 1iu4 s PRO 225 N -3.49 4.44 0.02 3.54 0.04 -1.26 -4.38 135.00 133.90 1iu4 s PRO 225 Ca 0.75 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1iu4 s PRO 225 Cb -0.28 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1iu4 s PRO 225 CO 0.35 0.12 1.08 0.00 0.04 0.00 0.00 177.00 178.58 1iu4 s ALA 226 N -1.56 3.27 0.11 8.56 0.00 -0.14 -4.93 121.76 127.06 1iu4 s ALA 226 Ca 0.52 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1iu4 s ALA 226 Cb -0.22 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1iu4 s ALA 226 CO 0.28 -0.34 1.44 -1.35 0.00 0.00 0.00 175.76 175.79 1iu4 h PRO 227 N 6.82 0.72 0.00 0.00 0.11 -1.96 -0.18 132.00 137.52 1iu4 h PRO 227 Ca -0.41 -0.36 -0.03 0.00 0.11 0.00 0.00 66.00 65.31 1iu4 h PRO 227 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1iu4 h PRO 227 CO 0.78 0.98 -0.13 0.78 -0.21 0.00 0.00 178.00 180.20 1iu4 h GLY 228 N 0.48 0.00 0.00 -0.55 0.00 -2.00 -3.38 103.07 97.62 1iu4 h GLY 228 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 1iu4 h GLY 228 CO 0.07 0.00 -1.88 -0.37 0.00 0.00 0.00 176.54 174.35 1iu4 n THR 229 N -3.41 0.89 0.00 4.70 5.66 -0.58 -4.37 114.28 117.17 1iu4 n THR 229 Ca -0.01 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1iu4 n THR 229 Cb 0.31 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.22 1iu4 n THR 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1iu4 n GLY 230 N 2.48 2.13 3.67 1.09 0.00 -0.18 -4.87 105.19 109.51 1iu4 n GLY 230 Ca -0.24 -0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.22 1iu4 n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iu4 n LEU 231 N 0.00 3.01 -4.74 0.99 7.99 -1.26 -1.09 117.00 121.89 1iu4 n LEU 231 Ca 0.00 0.95 -0.36 0.00 -0.01 0.00 0.00 56.01 56.60 1iu4 n LEU 231 Cb 0.00 -1.29 -0.08 0.00 -0.11 0.00 0.00 43.42 41.94 1iu4 n LEU 231 CO 0.00 -0.23 -0.24 0.54 -1.51 0.00 0.00 177.39 175.95 1iu4 s VAL 232 N 4.25 4.89 -0.41 4.08 0.11 0.04 -0.97 120.40 132.39 1iu4 s VAL 232 Ca 0.96 -0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 59.78 1iu4 s VAL 232 Cb -0.82 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 30.92 1iu4 s VAL 232 CO 0.56 0.57 0.67 -0.62 -3.33 0.00 0.00 175.10 172.95 1iu4 s ASP 233 N -0.59 6.38 0.00 3.54 -1.08 -1.26 -4.11 116.67 119.55 1iu4 s ASP 233 Ca 0.11 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.32 1iu4 s ASP 233 Cb -0.12 -2.33 1.16 0.00 -1.46 0.00 0.00 42.92 40.17 1iu4 s ASP 233 CO 0.02 -0.73 1.82 0.23 0.52 0.00 0.00 175.17 177.04 1iu4 n MET 234 N 6.26 0.58 -0.14 4.34 2.81 -1.26 -4.31 117.12 125.40 1iu4 n MET 234 Ca -0.01 -0.20 -0.01 0.00 -1.81 0.00 0.00 57.70 55.67 1iu4 n MET 234 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1iu4 n MET 234 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1iu4 n SER 235 N -1.03 -0.26 -0.06 7.83 7.64 -1.26 -1.79 113.62 124.69 1iu4 n SER 235 Ca 0.13 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.77 1iu4 n SER 235 Cb 0.29 -0.12 0.66 0.00 -1.01 0.00 0.00 64.21 64.02 1iu4 n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iu4 n ARG 236 N -4.50 0.53 -2.48 1.43 1.74 -1.26 -4.73 116.66 107.40 1iu4 n ARG 236 Ca 0.03 -0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1iu4 n ARG 236 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1iu4 n ARG 236 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1iu4 s ASP 237 N -2.55 6.21 -0.30 0.55 2.15 -0.74 -4.93 116.67 117.06 1iu4 s ASP 237 Ca 0.28 0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.41 1iu4 s ASP 237 Cb 0.20 -2.55 0.68 0.00 -0.30 0.00 0.00 42.92 40.95 1iu4 s ASP 237 CO 0.48 -1.70 1.71 0.54 -0.17 0.00 0.00 175.17 176.03 1iu4 n ARG 238 N 8.79 3.27 -3.49 4.34 1.74 -1.26 -4.97 116.66 125.08 1iu4 n ARG 238 Ca 0.09 -3.07 -0.25 0.00 -0.77 0.00 0.00 57.85 53.86 1iu4 n ARG 238 Cb 0.49 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.82 1iu4 n ARG 238 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iu4 n ASN 239 N -0.40 -3.55 -4.75 0.55 3.02 -1.26 -4.97 115.26 103.90 1iu4 n ASN 239 Ca 0.38 -0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 54.09 1iu4 n ASN 239 Cb 1.28 -2.94 -0.07 0.00 -0.61 0.00 0.00 39.78 37.44 1iu4 n ASN 239 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iu4 s ILE 240 N -2.96 5.32 0.74 2.41 1.01 -1.26 -4.88 121.20 121.59 1iu4 s ILE 240 Ca 0.45 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.52 1iu4 s ILE 240 Cb -0.24 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 38.76 1iu4 s ILE 240 CO 0.55 0.44 1.03 -2.16 0.00 0.00 0.00 174.94 174.80 1iu4 s PRO 241 N 0.17 1.70 0.31 2.79 0.04 -1.26 -4.57 135.00 134.17 1iu4 s PRO 241 Ca 0.15 -0.76 -0.29 0.00 0.04 0.00 0.00 61.00 60.14 1iu4 s PRO 241 Cb -0.13 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1iu4 s PRO 241 CO 0.04 -1.50 1.46 -2.13 0.04 0.00 0.00 177.00 174.91 1iu4 n ARG 242 N -2.97 2.42 -2.47 4.56 0.63 -1.26 -4.86 116.66 112.71 1iu4 n ARG 242 Ca 0.13 0.86 -0.41 0.00 -0.92 0.00 0.00 57.85 57.50 1iu4 n ARG 242 Cb 0.60 -2.55 -0.04 0.00 0.45 0.00 0.00 32.46 30.92 1iu4 n ARG 242 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1iu4 s SER 243 N 0.12 7.20 0.06 6.15 0.01 -1.09 -4.44 113.70 121.72 1iu4 s SER 243 Ca 0.60 2.12 -0.32 0.00 1.31 0.00 0.00 55.95 59.67 1iu4 s SER 243 Cb -0.54 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 62.98 1iu4 s SER 243 CO 0.55 -0.29 1.87 -2.65 0.41 0.00 0.00 173.24 173.13 1iu4 n PRO 244 N 2.57 2.66 0.27 12.44 -0.02 -1.26 -4.44 135.00 147.22 1iu4 n PRO 244 Ca 0.04 0.97 0.14 0.00 -2.02 0.00 0.00 63.50 62.63 1iu4 n PRO 244 Cb 0.46 -2.87 0.76 0.00 -0.02 0.00 0.00 33.50 31.83 1iu4 n PRO 244 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1iu4 h THR 245 N 5.02 0.46 -4.30 3.45 1.35 -1.92 -3.46 112.91 113.51 1iu4 h THR 245 Ca -0.48 -0.50 -0.25 0.00 -0.55 0.00 0.00 66.41 64.63 1iu4 h THR 245 Cb 1.24 1.34 -0.11 0.00 -1.73 0.00 0.00 68.15 68.89 1iu4 h THR 245 CO 0.94 0.10 -0.36 -0.94 -0.25 0.00 0.00 175.52 175.01 1iu4 s SER 246 N -6.02 0.58 -0.01 5.36 1.04 -1.26 -5.05 113.70 108.33 1iu4 s SER 246 Ca -0.02 -1.38 -0.30 0.00 0.48 0.00 0.00 55.95 54.73 1iu4 s SER 246 Cb 0.13 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.70 1iu4 s SER 246 CO 0.57 -1.08 1.96 -2.84 0.98 0.00 0.00 173.24 172.82 1iu4 s PRO 247 N -3.68 4.02 0.00 4.02 0.02 -1.26 -3.50 135.00 134.62 1iu4 s PRO 247 Ca 0.33 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1iu4 s PRO 247 Cb 0.02 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.38 1iu4 s PRO 247 CO 0.16 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1iu4 n GLY 248 N 4.64 3.16 3.57 0.52 0.00 -1.26 -4.98 105.19 110.84 1iu4 n GLY 248 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1iu4 n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iu4 s GLU 249 N -0.40 3.24 0.06 1.61 2.12 -1.23 -5.01 118.70 119.08 1iu4 s GLU 249 Ca 0.00 -1.17 -0.20 0.00 0.36 0.00 0.00 54.97 53.96 1iu4 s GLU 249 Cb 0.00 -5.32 -0.06 0.00 0.26 0.00 0.00 34.13 29.01 1iu4 s GLU 249 CO 0.00 -2.85 0.60 0.20 -0.54 0.00 0.00 175.26 172.68 1iu4 s GLY 250 N 5.79 2.68 0.19 -1.50 0.00 -1.26 -4.22 107.32 108.99 1iu4 s GLY 250 Ca 0.58 0.07 0.06 0.00 0.00 0.00 0.00 44.72 45.44 1iu4 s GLY 250 CO 0.01 0.61 0.11 -1.36 0.00 0.00 0.00 173.10 172.47 1iu4 s PHE 251 N -0.81 3.05 0.61 1.90 0.40 -1.26 -5.08 117.98 116.79 1iu4 s PHE 251 Ca 0.31 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1iu4 s PHE 251 Cb -0.20 -1.44 0.12 0.00 0.51 0.00 0.00 43.02 42.02 1iu4 s PHE 251 CO 0.19 0.53 0.84 1.33 0.70 0.00 0.00 175.22 178.81 1iu4 n VAL 252 N -0.49 0.00 -0.05 -0.44 0.24 -1.26 -4.76 118.33 111.57 1iu4 n VAL 252 Ca -0.08 -1.28 -0.10 0.00 -2.04 0.00 0.00 64.34 60.83 1iu4 n VAL 252 Cb 0.56 -1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 31.78 1iu4 n VAL 252 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1iu4 n ASN 253 N -2.95 0.69 -3.51 -1.34 0.23 -1.26 -4.13 115.26 102.98 1iu4 n ASN 253 Ca 0.14 0.24 -0.09 0.00 -0.53 0.00 0.00 54.58 54.34 1iu4 n ASN 253 Cb 0.49 0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 38.42 1iu4 n ASN 253 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1iu4 s PHE 254 N -2.55 -0.36 0.07 -2.53 -0.12 -1.26 -3.75 117.98 107.47 1iu4 s PHE 254 Ca -0.09 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1iu4 s PHE 254 Cb 0.07 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1iu4 s PHE 254 CO 0.81 -0.64 -0.05 0.34 -0.05 0.00 0.00 175.22 175.63 1iu4 s ASP 255 N -2.58 0.84 -0.02 1.98 3.68 -0.89 -4.87 116.67 114.81 1iu4 s ASP 255 Ca 0.05 -0.90 0.02 0.00 2.13 0.00 0.00 52.55 53.85 1iu4 s ASP 255 Cb -0.01 0.12 0.00 0.00 -1.45 0.00 0.00 42.92 41.58 1iu4 s ASP 255 CO -0.09 -0.45 -0.08 -0.31 0.13 0.00 0.00 175.17 174.37 1iu4 s TYR 256 N -3.21 0.82 -0.24 -5.34 1.51 -1.24 -2.21 117.35 107.44 1iu4 s TYR 256 Ca 0.05 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1iu4 s TYR 256 Cb 0.03 -0.60 0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1iu4 s TYR 256 CO -0.05 -0.09 -0.12 0.20 -1.11 0.00 0.00 175.55 174.37 1iu4 s GLY 257 N 0.23 1.55 -0.12 0.71 0.00 -0.78 -4.24 107.32 104.68 1iu4 s GLY 257 Ca -0.03 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 42.80 1iu4 s GLY 257 CO 0.00 0.58 1.08 0.86 0.00 0.00 0.00 173.10 175.62 1iu4 s TRP 258 N 1.18 3.35 -0.22 1.90 -0.11 -0.08 -1.23 118.94 123.72 1iu4 s TRP 258 Ca -0.06 1.43 -0.04 0.00 1.22 0.00 0.00 56.10 58.65 1iu4 s TRP 258 Cb -0.18 -3.29 -0.19 0.00 -1.50 0.00 0.00 33.47 28.31 1iu4 s TRP 258 CO -0.07 -0.66 -0.07 0.34 -4.62 0.00 0.00 176.95 171.87 1iu4 n PHE 259 N 5.44 0.39 0.00 5.86 -0.00 -0.95 -1.46 117.46 126.74 1iu4 n PHE 259 Ca 0.10 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1iu4 n PHE 259 Cb 0.47 -1.05 0.00 0.00 -0.00 0.00 0.00 39.48 38.90 1iu4 n PHE 259 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iu4 n GLY 260 N 1.99 1.64 2.70 7.13 0.00 0.20 -4.24 105.19 114.61 1iu4 n GLY 260 Ca -0.43 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1iu4 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 n ALA 261 N 4.77 -0.67 -1.93 4.61 0.00 -1.26 -0.00 120.51 126.02 1iu4 n ALA 261 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 53.44 51.98 1iu4 n ALA 261 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 1iu4 n ALA 261 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1iu4 s GLN 262 N 0.19 4.06 0.10 0.00 -0.21 -1.24 -4.35 119.66 118.20 1iu4 s GLN 262 Ca 0.20 0.91 0.26 0.00 0.02 0.00 0.00 55.36 56.74 1iu4 s GLN 262 Cb 0.30 -2.24 0.62 0.00 1.00 0.00 0.00 33.01 32.69 1iu4 s GLN 262 CO -0.08 -0.06 1.54 2.41 -2.12 0.00 0.00 175.29 176.98 1iu4 n THR 263 N -0.92 0.29 -1.85 -0.19 -1.04 -0.25 -4.95 114.28 105.38 1iu4 n THR 263 Ca 0.06 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 1iu4 n THR 263 Cb 0.54 -0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 1iu4 n THR 263 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1iu4 s GLU 264 N -3.09 4.18 0.16 -2.82 2.56 -1.26 -4.91 118.70 113.51 1iu4 s GLU 264 Ca 0.09 2.47 -0.11 0.00 0.00 0.00 0.00 54.97 57.43 1iu4 s GLU 264 Cb 0.15 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 33.17 1iu4 s GLU 264 CO 0.66 -0.66 1.55 0.00 -0.56 0.00 0.00 175.26 176.25 1iu4 h ALA 265 N 6.60 0.67 -2.33 6.30 0.00 -2.00 -3.42 119.26 125.07 1iu4 h ALA 265 Ca -0.43 -0.38 -0.55 0.00 0.00 0.00 0.00 54.91 53.55 1iu4 h ALA 265 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1iu4 h ALA 265 CO 0.92 0.64 0.77 0.34 0.00 0.00 0.00 179.25 181.91 1iu4 s ASP 266 N -6.67 6.96 0.39 0.00 2.15 -1.26 -4.96 116.67 113.28 1iu4 s ASP 266 Ca -0.12 1.93 0.07 0.00 0.43 0.00 0.00 52.55 54.87 1iu4 s ASP 266 Cb 0.12 -2.56 0.78 0.00 -0.30 0.00 0.00 42.92 40.96 1iu4 s ASP 266 CO 0.86 -0.65 1.96 0.00 -0.17 0.00 0.00 175.17 177.18 1iu4 h ALA 267 N 7.66 1.56 -0.00 3.66 0.00 -1.98 -3.07 119.26 127.09 1iu4 h ALA 267 Ca -0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1iu4 h ALA 267 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1iu4 h ALA 267 CO 0.89 0.33 -0.13 -0.25 0.00 0.00 0.00 179.25 180.10 1iu4 n ASP 268 N -4.36 0.20 -0.21 0.00 9.92 -1.26 -2.67 116.55 118.17 1iu4 n ASP 268 Ca 0.01 0.03 0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1iu4 n ASP 268 Cb 0.18 -0.23 0.33 0.00 -0.64 0.00 0.00 41.12 40.77 1iu4 n ASP 268 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1iu4 n LYS 269 N -1.36 0.70 -2.39 -1.24 5.02 -1.16 -4.39 118.16 113.34 1iu4 n LYS 269 Ca 0.09 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.54 1iu4 n LYS 269 Cb 0.31 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1iu4 n LYS 269 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1iu4 s THR 270 N -2.59 4.00 -0.13 -0.18 2.01 -1.09 -4.93 115.64 112.73 1iu4 s THR 270 Ca 0.22 1.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 1iu4 s THR 270 Cb 0.19 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1iu4 s THR 270 CO 0.56 0.07 0.07 0.54 -0.69 0.00 0.00 174.62 175.17 1iu4 s VAL 271 N 1.49 4.91 -0.17 3.82 0.11 -1.26 0.22 120.40 129.52 1iu4 s VAL 271 Ca 0.59 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1iu4 s VAL 271 Cb -0.29 -3.14 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 1iu4 s VAL 271 CO 0.27 0.57 -0.11 0.26 -3.33 0.00 0.00 175.10 172.76 1iu4 s TRP 272 N -0.56 2.17 -0.21 1.54 0.52 0.10 -4.56 118.94 117.94 1iu4 s TRP 272 Ca 0.11 -1.33 -0.07 0.00 0.02 0.00 0.00 56.10 54.84 1iu4 s TRP 272 Cb -0.12 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1iu4 s TRP 272 CO 0.02 -0.68 0.05 -0.08 0.02 0.00 0.00 176.95 176.28 1iu4 s THR 273 N 1.48 4.42 0.01 2.01 -1.32 -0.53 -1.09 115.64 120.61 1iu4 s THR 273 Ca 0.02 -0.15 -0.05 0.00 -1.21 0.00 0.00 61.69 60.30 1iu4 s THR 273 Cb -0.14 -3.02 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 1iu4 s THR 273 CO -0.09 0.40 -0.09 0.00 -2.21 0.00 0.00 174.62 172.63 1iu4 n HIS 274 N 4.25 0.00 0.00 9.09 1.44 0.21 -0.90 115.22 129.31 1iu4 n HIS 274 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1iu4 n HIS 274 Cb 0.52 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.49 1iu4 n HIS 274 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1iu4 n GLY 275 N 2.89 2.12 0.03 -1.39 0.00 -1.25 -4.25 105.19 103.33 1iu4 n GLY 275 Ca -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 1iu4 n GLY 275 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iu4 n ASN 276 N -0.02 3.54 -3.64 1.61 6.94 -1.03 -4.27 115.26 118.38 1iu4 n ASN 276 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1iu4 n ASN 276 Cb 0.00 0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1iu4 n ASN 276 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1iu4 s HIS 277 N -2.14 -0.01 1.22 -2.53 -3.43 -1.26 -4.57 115.29 102.57 1iu4 s HIS 277 Ca -0.05 -0.18 -0.14 0.00 -0.80 0.00 0.00 55.06 53.90 1iu4 s HIS 277 Cb 0.02 0.59 0.31 0.00 -1.43 0.00 0.00 32.58 32.07 1iu4 s HIS 277 CO 0.21 -0.47 1.01 1.52 -2.00 0.00 0.00 174.74 175.01 1iu4 s TYR 278 N -2.38 1.10 -0.57 0.38 -0.85 -1.26 -3.81 117.35 109.98 1iu4 s TYR 278 Ca 0.20 1.10 -0.23 0.00 -0.52 0.00 0.00 57.07 57.62 1iu4 s TYR 278 Cb 0.01 -3.05 0.05 0.00 0.38 0.00 0.00 41.96 39.35 1iu4 s TYR 278 CO -0.00 -4.14 0.90 -1.58 -1.52 0.00 0.00 175.55 169.21 1iu4 s HIS 279 N -2.39 2.81 -0.54 -3.49 5.65 0.22 -3.57 115.29 113.98 1iu4 s HIS 279 Ca 0.69 -0.21 0.05 0.00 0.25 0.00 0.00 55.06 55.84 1iu4 s HIS 279 Cb -0.25 -4.04 0.19 0.00 -1.18 0.00 0.00 32.58 27.30 1iu4 s HIS 279 CO 0.65 -1.37 0.46 0.00 -0.65 0.00 0.00 174.74 173.83 1iu4 n ALA 280 N 7.32 3.14 0.31 1.58 0.00 -0.51 -1.13 120.51 131.22 1iu4 n ALA 280 Ca -0.01 -3.83 0.15 0.00 0.00 0.00 0.00 53.44 49.75 1iu4 n ALA 280 Cb 0.47 -0.88 0.55 0.00 0.00 0.00 0.00 19.45 19.59 1iu4 n ALA 280 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iu4 h PRO 281 N 5.22 0.00 -0.39 0.00 0.13 -1.84 -2.30 132.00 132.81 1iu4 h PRO 281 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1iu4 h PRO 281 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1iu4 h PRO 281 CO 0.56 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 1iu4 n ASN 282 N -2.91 3.14 0.00 1.44 5.03 -1.26 -4.65 115.26 116.04 1iu4 n ASN 282 Ca 0.02 -1.92 0.00 0.00 0.87 0.00 0.00 54.58 53.55 1iu4 n ASN 282 Cb 0.34 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1iu4 n ASN 282 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iu4 n GLY 283 N 1.00 0.62 0.17 7.41 0.00 -0.71 -4.67 105.19 109.01 1iu4 n GLY 283 Ca 0.15 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1iu4 n GLY 283 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iu4 h SER 284 N 0.00 -0.32 0.93 1.61 0.87 -1.83 -3.32 113.55 111.48 1iu4 h SER 284 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1iu4 h SER 284 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1iu4 h SER 284 CO 0.00 -0.03 -0.32 0.00 -0.53 0.00 0.00 176.83 175.95 1iu4 n LEU 285 N -4.14 0.51 0.00 2.23 -0.00 -1.26 -5.02 117.00 109.31 1iu4 n LEU 285 Ca -0.05 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1iu4 n LEU 285 Cb 0.15 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1iu4 n LEU 285 CO 0.11 -0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.09 1iu4 n GLY 286 N 1.41 -2.02 3.75 1.47 0.00 -0.87 -4.81 105.19 104.11 1iu4 n GLY 286 Ca 0.05 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1iu4 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 s ALA 287 N -1.01 3.42 0.07 4.61 0.00 -1.24 -1.42 121.76 126.20 1iu4 s ALA 287 Ca 0.00 0.94 -0.35 0.00 0.00 0.00 0.00 51.96 52.56 1iu4 s ALA 287 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1iu4 s ALA 287 CO 0.00 -0.30 1.61 -0.12 0.00 0.00 0.00 175.76 176.95 1iu4 n MET 288 N 1.85 1.92 -4.09 0.00 1.56 -1.23 -4.83 117.12 112.30 1iu4 n MET 288 Ca 0.02 0.70 -0.35 0.00 -0.27 0.00 0.00 57.70 57.79 1iu4 n MET 288 Cb 0.45 -2.45 -0.08 0.00 2.15 0.00 0.00 33.22 33.28 1iu4 n MET 288 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1iu4 s HIS 289 N 1.62 3.33 -0.24 1.12 3.76 -1.26 0.45 115.29 124.06 1iu4 s HIS 289 Ca 0.84 0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 55.89 1iu4 s HIS 289 Cb -0.75 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 1iu4 s HIS 289 CO 0.44 0.44 0.21 0.14 -0.85 0.00 0.00 174.74 175.12 1iu4 s VAL 290 N -0.49 5.32 0.15 -0.90 -7.23 0.19 -2.45 120.40 114.98 1iu4 s VAL 290 Ca 0.10 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.48 1iu4 s VAL 290 Cb -0.12 -3.55 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 1iu4 s VAL 290 CO 0.02 0.31 0.42 -0.31 -0.31 0.00 0.00 175.10 175.23 1iu4 s TYR 291 N 1.24 3.48 -0.73 2.82 1.51 -1.26 -2.65 117.35 121.76 1iu4 s TYR 291 Ca 0.10 0.67 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 1iu4 s TYR 291 Cb -0.14 -2.09 0.18 0.00 -0.11 0.00 0.00 41.96 39.80 1iu4 s TYR 291 CO 0.06 0.41 0.54 -1.21 -1.11 0.00 0.00 175.55 174.24 1iu4 s GLU 292 N -2.57 2.59 -0.22 -0.62 2.02 0.42 -0.62 118.70 119.71 1iu4 s GLU 292 Ca 0.41 -3.32 -0.10 0.00 0.02 0.00 0.00 54.97 51.98 1iu4 s GLU 292 Cb -0.12 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 1iu4 s GLU 292 CO 0.23 -1.28 0.14 -1.12 0.02 0.00 0.00 175.26 173.25 1iu4 s SER 293 N -1.20 6.15 0.97 -0.19 0.01 -0.25 -2.04 113.70 117.15 1iu4 s SER 293 Ca 0.25 0.17 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 1iu4 s SER 293 Cb -0.06 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1iu4 s SER 293 CO -0.15 0.12 0.17 0.29 0.41 0.00 0.00 173.24 174.08 1iu4 n LYS 294 N 3.91 -0.29 -0.20 12.44 5.02 0.12 0.01 118.16 139.18 1iu4 n LYS 294 Ca -0.16 -0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.09 1iu4 n LYS 294 Cb 0.52 -1.70 0.11 0.00 -0.02 0.00 0.00 35.03 33.94 1iu4 n LYS 294 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1iu4 h PHE 295 N -1.48 0.10 -0.02 2.13 3.04 -0.40 -1.65 116.94 118.66 1iu4 h PHE 295 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1iu4 h PHE 295 Cb 1.29 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.84 1iu4 h PHE 295 CO 0.35 -0.09 -0.01 0.54 -2.02 0.00 0.00 178.31 177.07 1iu4 n ARG 296 N -5.19 -0.01 0.09 1.11 1.74 -1.26 -0.94 116.66 112.20 1iu4 n ARG 296 Ca 0.09 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.24 1iu4 n ARG 296 Cb 0.34 -0.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.71 1iu4 n ARG 296 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1iu4 h ASN 297 N 0.00 0.00 -0.23 0.55 4.21 -1.71 -3.24 115.58 115.16 1iu4 h ASN 297 Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 1iu4 h ASN 297 Cb 0.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1iu4 h ASN 297 CO -0.02 0.42 -0.16 -0.25 -1.29 0.00 0.00 177.43 176.13 1iu4 h TRP 298 N 0.00 0.72 0.00 1.19 2.91 -0.28 -3.37 115.95 117.13 1iu4 h TRP 298 Ca -0.08 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1iu4 h TRP 298 Cb 1.39 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 1iu4 h TRP 298 CO 0.00 0.77 -1.53 -1.13 -1.03 0.00 0.00 178.44 175.52 1iu4 n SER 299 N -4.15 0.47 0.02 2.65 3.41 -0.11 -3.83 113.62 112.08 1iu4 n SER 299 Ca 0.01 -0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 58.05 1iu4 n SER 299 Cb 0.37 1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.82 1iu4 n SER 299 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1iu4 h GLU 300 N 0.00 -0.29 0.00 4.33 4.57 -1.72 -3.48 114.58 117.99 1iu4 h GLU 300 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1iu4 h GLU 300 Cb 0.76 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1iu4 h GLU 300 CO 0.00 -0.19 0.00 0.41 -1.18 0.00 0.00 179.01 178.05 1iu4 n GLY 301 N -1.35 -0.42 3.17 1.92 0.00 -1.25 -5.00 105.19 102.25 1iu4 n GLY 301 Ca -0.03 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1iu4 n GLY 301 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iu4 s TYR 302 N 0.00 0.78 0.49 1.61 4.12 -1.26 -5.06 117.35 118.04 1iu4 s TYR 302 Ca 0.00 -1.16 0.15 0.00 0.02 0.00 0.00 57.07 56.07 1iu4 s TYR 302 Cb 0.00 -0.42 1.17 0.00 -1.52 0.00 0.00 41.96 41.19 1iu4 s TYR 302 CO 0.00 -0.54 2.11 0.77 0.02 0.00 0.00 175.55 177.91 1iu4 h SER 303 N 2.84 0.06 0.28 2.29 0.02 -2.03 -2.71 113.55 114.29 1iu4 h SER 303 Ca -0.35 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1iu4 h SER 303 Cb 1.20 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1iu4 h SER 303 CO 0.58 0.08 -0.07 0.44 -1.14 0.00 0.00 176.83 176.72 1iu4 h ASP 304 N 0.06 0.00 -3.99 3.07 3.32 -1.97 -3.44 116.42 113.48 1iu4 h ASP 304 Ca 0.02 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.56 1iu4 h ASP 304 Cb 0.06 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.30 1iu4 h ASP 304 CO 0.00 0.07 -0.82 -0.36 -1.72 0.00 0.00 179.24 176.41 1iu4 s PHE 305 N -4.25 1.36 0.00 4.55 2.99 -1.02 -4.41 117.98 117.20 1iu4 s PHE 305 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 56.93 56.56 1iu4 s PHE 305 Cb 0.13 -0.91 0.00 0.00 0.00 0.00 0.00 43.02 42.24 1iu4 s PHE 305 CO 0.55 -0.10 0.10 -0.40 -0.00 0.00 0.00 175.22 175.37 1iu4 n ASP 306 N 3.04 0.20 -4.51 1.36 5.75 -0.59 -4.75 116.55 117.05 1iu4 n ASP 306 Ca -0.17 -0.53 -0.28 0.00 -0.01 0.00 0.00 54.79 53.79 1iu4 n ASP 306 Cb 0.54 0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 40.99 1iu4 n ASP 306 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1iu4 s ARG 307 N -0.47 1.86 -0.04 0.11 3.00 -0.62 -4.61 118.95 118.18 1iu4 s ARG 307 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 55.73 54.51 1iu4 s ARG 307 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 34.95 32.86 1iu4 s ARG 307 CO 0.00 0.46 -0.02 0.20 0.00 0.00 0.00 175.30 175.94 1iu4 s GLY 308 N -2.39 0.39 0.08 -3.53 0.00 -1.26 -1.79 107.32 98.82 1iu4 s GLY 308 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 44.72 45.03 1iu4 s GLY 308 CO 0.12 0.58 -0.26 0.00 0.00 0.00 0.00 173.10 173.53 1iu4 s ALA 309 N 1.08 2.32 -0.29 3.20 0.00 0.24 -4.77 121.76 123.54 1iu4 s ALA 309 Ca -0.09 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1iu4 s ALA 309 Cb -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1iu4 s ALA 309 CO -0.01 0.54 0.06 0.71 0.00 0.00 0.00 175.76 177.06 1iu4 s TYR 310 N -0.92 3.13 0.09 0.00 1.51 0.63 -1.08 117.35 120.72 1iu4 s TYR 310 Ca 0.13 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1iu4 s TYR 310 Cb -0.10 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1iu4 s TYR 310 CO 0.04 -0.58 0.16 0.14 -1.11 0.00 0.00 175.55 174.20 1iu4 s VAL 311 N 1.48 4.94 0.01 0.71 -7.23 0.60 -0.27 120.40 120.65 1iu4 s VAL 311 Ca 0.02 -0.66 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1iu4 s VAL 311 Cb -0.17 -3.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1iu4 s VAL 311 CO 0.02 0.07 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.01 1iu4 s ILE 312 N -1.52 2.32 0.06 -0.62 1.01 -0.93 -2.72 121.20 118.79 1iu4 s ILE 312 Ca 0.32 -1.18 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1iu4 s ILE 312 Cb -0.12 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1iu4 s ILE 312 CO 0.25 0.46 0.11 1.07 0.00 0.00 0.00 174.94 176.83 1iu4 n THR 313 N 2.03 0.00 -4.23 2.92 5.66 0.19 -4.60 114.28 116.24 1iu4 n THR 313 Ca -0.16 -0.16 -0.21 0.00 -3.05 0.00 0.00 64.05 60.47 1iu4 n THR 313 Cb 0.52 0.14 -0.12 0.00 -1.55 0.00 0.00 70.33 69.32 1iu4 n THR 313 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1iu4 s PHE 314 N -7.64 1.50 0.09 1.09 0.40 -1.26 -0.48 117.98 111.68 1iu4 s PHE 314 Ca 0.03 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1iu4 s PHE 314 Cb -0.01 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1iu4 s PHE 314 CO 0.02 0.14 -0.07 0.96 0.70 0.00 0.00 175.22 176.97 1iu4 s ILE 315 N -1.37 0.73 0.58 0.64 -4.36 -0.49 -4.93 121.20 112.00 1iu4 s ILE 315 Ca 0.04 -1.80 -0.20 0.00 -0.26 0.00 0.00 60.65 58.42 1iu4 s ILE 315 Cb -0.09 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1iu4 s ILE 315 CO 0.03 -0.77 1.31 -2.84 0.24 0.00 0.00 174.94 172.91 1iu4 s PRO 316 N -3.42 2.97 0.00 0.37 0.02 -1.26 -0.60 135.00 133.07 1iu4 s PRO 316 Ca 0.09 2.10 0.18 0.00 0.02 0.00 0.00 61.00 63.39 1iu4 s PRO 316 Cb 0.02 -2.09 1.07 0.00 0.02 0.00 0.00 34.50 33.52 1iu4 s PRO 316 CO -0.03 -1.28 1.60 1.17 -0.33 0.00 0.00 177.00 178.12 1iu4 n LYS 317 N -1.34 0.87 0.02 5.54 4.81 -0.17 -3.30 118.16 124.57 1iu4 n LYS 317 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 1iu4 n LYS 317 Cb 0.47 -1.32 -0.11 0.00 0.02 0.00 0.00 35.03 34.08 1iu4 n LYS 317 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1iu4 h SER 318 N 0.00 0.00 -3.21 3.14 4.64 -1.90 -3.47 113.55 112.75 1iu4 h SER 318 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1iu4 h SER 318 Cb 0.00 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.31 1iu4 h SER 318 CO 0.00 0.86 -0.72 0.79 -0.87 0.00 0.00 176.83 176.89 1iu4 n TRP 319 N -3.07 -1.75 -1.78 4.77 7.02 -1.21 -3.04 117.44 118.38 1iu4 n TRP 319 Ca -0.11 0.21 0.04 0.00 -1.02 0.00 0.00 57.50 56.61 1iu4 n TRP 319 Cb 0.96 -1.74 0.05 0.00 -2.42 0.00 0.00 31.31 28.17 1iu4 n TRP 319 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1iu4 n ASN 320 N -0.95 0.88 0.00 -0.99 4.05 -0.84 -4.74 115.26 112.67 1iu4 n ASN 320 Ca 0.06 -2.42 0.05 0.00 0.45 0.00 0.00 54.58 52.71 1iu4 n ASN 320 Cb 0.54 -0.30 0.30 0.00 1.23 0.00 0.00 39.78 41.56 1iu4 n ASN 320 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1iu4 n THR 321 N -0.40 0.00 -3.04 -0.44 -2.24 -1.23 -4.02 114.28 102.90 1iu4 n THR 321 Ca 0.06 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 1iu4 n THR 321 Cb 0.74 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1iu4 n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iu4 n ALA 322 N -0.78 1.12 -1.57 6.98 0.00 -1.26 -4.78 120.51 120.22 1iu4 n ALA 322 Ca 0.08 -2.77 -0.30 0.00 0.00 0.00 0.00 53.44 50.45 1iu4 n ALA 322 Cb 0.03 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 18.58 1iu4 n ALA 322 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iu4 s PRO 323 N -1.30 1.92 0.06 0.00 0.04 -1.26 -4.16 135.00 130.30 1iu4 s PRO 323 Ca 0.34 0.55 0.26 0.00 0.04 0.00 0.00 61.00 62.19 1iu4 s PRO 323 Cb 0.29 -1.91 0.64 0.00 0.04 0.00 0.00 34.50 33.56 1iu4 s PRO 323 CO -0.09 -1.72 1.53 -0.25 0.04 0.00 0.00 177.00 176.51 1iu4 n ASP 324 N -3.48 0.50 -4.21 6.66 10.43 -1.26 -3.66 116.55 121.53 1iu4 n ASP 324 Ca 0.07 0.12 -0.30 0.00 2.57 0.00 0.00 54.79 57.25 1iu4 n ASP 324 Cb 0.57 -0.05 -0.16 0.00 1.84 0.00 0.00 41.12 43.31 1iu4 n ASP 324 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1iu4 s LYS 325 N -3.07 2.37 -0.06 -1.24 2.47 -1.26 -1.08 119.74 117.87 1iu4 s LYS 325 Ca 0.10 -0.79 0.04 0.00 -1.56 0.00 0.00 55.97 53.76 1iu4 s LYS 325 Cb 0.16 -1.97 -0.02 0.00 -1.46 0.00 0.00 37.83 34.54 1iu4 s LYS 325 CO 0.66 0.29 -0.19 0.14 0.16 0.00 0.00 175.35 176.41 1iu4 s VAL 326 N 0.02 2.65 0.03 4.02 -7.23 -1.26 -5.07 120.40 113.56 1iu4 s VAL 326 Ca -0.07 -0.86 0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1iu4 s VAL 326 Cb -0.14 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1iu4 s VAL 326 CO 0.04 0.57 -0.22 -1.59 -0.31 0.00 0.00 175.10 173.60 1iu4 s LYS 327 N -0.42 1.56 0.49 4.82 -2.85 -1.26 -4.79 119.74 117.29 1iu4 s LYS 327 Ca 0.04 -0.92 -0.14 0.00 -1.00 0.00 0.00 55.97 53.95 1iu4 s LYS 327 Cb -0.12 -1.63 -0.07 0.00 -2.06 0.00 0.00 37.83 33.94 1iu4 s LYS 327 CO 0.02 0.43 0.92 -0.65 0.10 0.00 0.00 175.35 176.16 1iu4 s GLN 328 N -1.00 3.86 1.74 1.78 -0.21 -1.26 -4.93 119.66 119.65 1iu4 s GLN 328 Ca 0.08 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.24 1iu4 s GLN 328 Cb -0.09 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1iu4 s GLN 328 CO 0.01 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1iu4 n GLY 329 N -1.59 -1.39 2.88 3.09 0.00 -1.26 -4.75 105.19 102.17 1iu4 n GLY 329 Ca 0.05 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 1iu4 n GLY 329 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iu4 s TRP 330 N 0.00 -0.30 -1.95 1.61 -0.11 -0.92 -4.87 118.94 112.39 1iu4 s TRP 330 Ca 0.00 0.66 0.00 0.00 1.22 0.00 0.00 56.10 57.98 1iu4 s TRP 330 Cb 0.00 -0.20 0.00 0.00 -1.50 0.00 0.00 33.47 31.77 1iu4 s TRP 330 CO 0.00 -0.39 0.49 -0.35 -4.62 0.00 0.00 176.95 172.08