#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 0.68 0.06 -2.24 0.87 -2.03 -2.21 113.55 108.68 1iu4 h SER 2 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1iu4 h SER 2 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1iu4 h SER 2 CO 0.00 0.79 0.00 0.47 -0.53 0.00 0.00 176.83 177.56 1iu4 n ASP 3 N -4.20 0.00 -4.76 6.23 9.92 -1.26 -3.35 116.55 119.13 1iu4 n ASP 3 Ca 0.02 -0.33 -0.37 0.00 -0.53 0.00 0.00 54.79 53.58 1iu4 n ASP 3 Cb 0.32 -0.06 0.02 0.00 -0.64 0.00 0.00 41.12 40.76 1iu4 n ASP 3 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1iu4 s ASP 4 N -2.13 5.52 0.02 -2.24 -0.00 -0.83 -4.94 116.67 112.07 1iu4 s ASP 4 Ca 0.20 2.53 -0.30 0.00 -0.00 0.00 0.00 52.55 54.97 1iu4 s ASP 4 Cb 0.10 -2.62 -0.05 0.00 -0.00 0.00 0.00 42.92 40.35 1iu4 s ASP 4 CO 0.18 -1.38 1.26 -0.60 -0.00 0.00 0.00 175.17 174.62 1iu4 s ARG 5 N -2.95 4.37 -0.22 8.23 3.52 -1.26 -4.51 118.95 126.12 1iu4 s ARG 5 Ca 0.71 1.81 -0.06 0.00 -0.13 0.00 0.00 55.73 58.06 1iu4 s ARG 5 Cb -0.34 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1iu4 s ARG 5 CO 0.40 -0.39 0.03 0.08 -0.81 0.00 0.00 175.30 174.61 1iu4 s VAL 6 N 1.66 4.08 -0.09 7.11 1.01 0.38 -5.02 120.40 129.53 1iu4 s VAL 6 Ca 0.59 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1iu4 s VAL 6 Cb -0.29 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1iu4 s VAL 6 CO 0.27 0.40 1.01 0.28 0.00 0.00 0.00 175.10 177.06 1iu4 s THR 7 N 1.25 4.76 0.54 3.92 -1.32 -1.26 -4.72 115.64 118.82 1iu4 s THR 7 Ca 0.04 2.02 -0.22 0.00 -1.21 0.00 0.00 61.69 62.32 1iu4 s THR 7 Cb -0.15 -4.30 -0.05 0.00 -1.51 0.00 0.00 72.50 66.50 1iu4 s THR 7 CO 0.02 0.02 1.36 -2.16 -2.21 0.00 0.00 174.62 171.65 1iu4 s PRO 8 N 1.90 3.16 0.35 7.08 0.04 -1.26 -4.95 135.00 141.32 1iu4 s PRO 8 Ca 0.49 2.23 -0.28 0.00 0.04 0.00 0.00 61.00 63.48 1iu4 s PRO 8 Cb -0.19 -2.26 -0.12 0.00 0.04 0.00 0.00 34.50 31.97 1iu4 s PRO 8 CO 0.19 -1.17 1.41 -2.30 0.04 0.00 0.00 177.00 175.16 1iu4 n PRO 9 N -1.01 2.42 -1.62 0.56 -0.02 -1.26 -4.92 135.00 129.15 1iu4 n PRO 9 Ca 0.10 0.85 -0.46 0.00 -2.02 0.00 0.00 63.50 61.97 1iu4 n PRO 9 Cb 0.45 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1iu4 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iu4 n ALA 10 N 0.53 0.11 -3.97 3.55 0.00 -1.26 -4.99 120.51 114.48 1iu4 n ALA 10 Ca 0.03 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.56 1iu4 n ALA 10 Cb 0.37 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.55 1iu4 n ALA 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iu4 s GLU 11 N -0.81 2.72 0.08 0.00 0.41 -1.26 -5.08 118.70 114.77 1iu4 s GLU 11 Ca 0.66 -1.03 -0.36 0.00 -0.41 0.00 0.00 54.97 53.84 1iu4 s GLU 11 Cb -0.73 -2.80 -0.18 0.00 -1.78 0.00 0.00 34.13 28.64 1iu4 s GLU 11 CO 0.54 -0.38 1.01 -2.30 -0.49 0.00 0.00 175.26 173.64 1iu4 n PRO 12 N 4.58 0.36 0.31 0.39 -0.02 -1.26 -4.82 135.00 134.54 1iu4 n PRO 12 Ca -0.17 0.13 0.19 0.00 -2.02 0.00 0.00 63.50 61.62 1iu4 n PRO 12 Cb 0.47 -1.54 0.97 0.00 -0.02 0.00 0.00 33.50 33.38 1iu4 n PRO 12 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1iu4 h LEU 13 N 2.85 0.00 -1.15 2.45 5.85 -1.98 -0.15 115.31 123.18 1iu4 h LEU 13 Ca -0.44 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1iu4 h LEU 13 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1iu4 h LEU 13 CO 0.66 0.00 0.07 -2.24 -0.34 0.00 0.00 178.44 176.58 1iu4 h ASP 14 N 0.00 0.62 -3.03 1.25 3.04 -2.01 -3.44 116.42 112.84 1iu4 h ASP 14 Ca 0.02 -0.11 -0.57 0.00 -3.24 0.00 0.00 57.03 53.13 1iu4 h ASP 14 Cb 0.39 -0.16 -0.04 0.00 -1.04 0.00 0.00 39.33 38.47 1iu4 h ASP 14 CO -0.00 0.64 1.14 -0.60 -2.04 0.00 0.00 179.24 178.39 1iu4 s ARG 15 N -5.09 3.52 0.19 4.15 3.52 -0.07 -4.97 118.95 120.19 1iu4 s ARG 15 Ca -0.09 1.17 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 1iu4 s ARG 15 Cb 0.16 -4.08 -0.08 0.00 -1.56 0.00 0.00 34.95 29.39 1iu4 s ARG 15 CO 0.78 -1.63 0.98 -1.64 -0.81 0.00 0.00 175.30 172.98 1iu4 s MET 16 N 5.14 4.75 0.57 5.12 -1.94 -1.26 -4.79 119.30 126.89 1iu4 s MET 16 Ca 0.68 1.53 -0.19 0.00 -1.71 0.00 0.00 55.69 56.01 1iu4 s MET 16 Cb -0.18 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.31 1iu4 s MET 16 CO 0.33 0.32 1.16 -2.14 -0.01 0.00 0.00 175.02 174.68 1iu4 s PRO 17 N -0.66 3.16 0.73 2.03 0.02 -1.26 -5.01 135.00 134.02 1iu4 s PRO 17 Ca 0.45 1.69 -0.14 0.00 0.02 0.00 0.00 61.00 63.02 1iu4 s PRO 17 Cb -0.26 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.33 1iu4 s PRO 17 CO 0.32 -1.02 1.14 -0.51 -0.33 0.00 0.00 177.00 176.60 1iu4 s ASP 18 N -1.74 4.46 0.27 2.53 -0.00 -1.26 -4.99 116.67 115.93 1iu4 s ASP 18 Ca 0.74 2.09 -0.29 0.00 -0.00 0.00 0.00 52.55 55.09 1iu4 s ASP 18 Cb -0.26 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.00 1iu4 s ASP 18 CO 0.30 -2.07 1.17 -2.16 -0.00 0.00 0.00 175.17 172.41 1iu4 s PRO 19 N -4.26 4.54 0.12 8.23 0.04 -1.26 -4.72 135.00 137.69 1iu4 s PRO 19 Ca 0.68 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.50 1iu4 s PRO 19 Cb -0.23 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1iu4 s PRO 19 CO 0.47 0.04 0.35 1.52 0.04 0.00 0.00 177.00 179.43 1iu4 s TYR 20 N -0.87 -0.09 0.02 0.56 -0.85 0.12 -4.92 117.35 111.31 1iu4 s TYR 20 Ca 0.48 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.79 1iu4 s TYR 20 Cb -0.34 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.17 1iu4 s TYR 20 CO 0.43 -0.68 -0.06 0.50 -1.52 0.00 0.00 175.55 174.21 1iu4 s ARG 21 N -3.83 0.47 0.09 -3.49 3.52 -1.26 0.28 118.95 114.72 1iu4 s ARG 21 Ca 0.04 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 54.90 1iu4 s ARG 21 Cb 0.02 -0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 32.99 1iu4 s ARG 21 CO -0.11 0.08 1.30 -1.25 -0.81 0.00 0.00 175.30 174.51 1iu4 s PRO 22 N -0.77 4.37 -0.21 5.12 0.04 -1.26 -4.57 135.00 137.73 1iu4 s PRO 22 Ca -0.03 1.93 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 1iu4 s PRO 22 Cb -0.06 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1iu4 s PRO 22 CO 0.00 -0.35 0.09 0.45 0.04 0.00 0.00 177.00 177.23 1iu4 s SER 23 N 1.07 5.69 -1.39 6.66 0.15 0.24 -4.72 113.70 121.40 1iu4 s SER 23 Ca 0.62 0.05 -0.06 0.00 0.70 0.00 0.00 55.95 57.26 1iu4 s SER 23 Cb -0.33 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1iu4 s SER 23 CO 0.30 0.12 0.86 -1.22 1.20 0.00 0.00 173.24 174.50 1iu4 n TYR 24 N 3.92 -2.15 0.00 3.44 4.01 -1.26 -2.05 117.16 123.07 1iu4 n TYR 24 Ca -0.16 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.46 1iu4 n TYR 24 Cb 0.52 -4.33 0.00 0.00 -0.31 0.00 0.00 39.34 35.22 1iu4 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iu4 n GLY 25 N -1.63 2.33 3.73 2.72 0.00 -1.26 -5.00 105.19 106.08 1iu4 n GLY 25 Ca -0.15 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1iu4 n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iu4 s ARG 26 N 0.00 3.60 0.09 1.61 1.70 -0.87 -2.03 118.95 123.04 1iu4 s ARG 26 Ca 0.00 -0.28 0.07 0.00 -0.47 0.00 0.00 55.73 55.05 1iu4 s ARG 26 Cb 0.00 -3.13 -0.04 0.00 -0.57 0.00 0.00 34.95 31.21 1iu4 s ARG 26 CO 0.00 0.54 -0.11 0.00 -1.08 0.00 0.00 175.30 174.65 1iu4 s ALA 27 N -0.38 2.90 -0.10 7.88 0.00 -1.00 0.80 121.76 131.87 1iu4 s ALA 27 Ca 0.10 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1iu4 s ALA 27 Cb -0.12 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1iu4 s ALA 27 CO 0.02 0.63 0.25 -1.83 0.00 0.00 0.00 175.76 174.83 1iu4 s GLU 28 N -2.05 0.28 0.05 0.00 4.04 -1.26 -0.52 118.70 119.24 1iu4 s GLU 28 Ca 0.20 0.39 -0.09 0.00 0.04 0.00 0.00 54.97 55.51 1iu4 s GLU 28 Cb -0.11 0.09 0.00 0.00 0.02 0.00 0.00 34.13 34.13 1iu4 s GLU 28 CO 0.12 -0.06 0.20 -0.08 -1.84 0.00 0.00 175.26 173.59 1iu4 s THR 29 N 0.37 0.12 0.50 1.83 -1.32 -0.83 -4.92 115.64 111.39 1iu4 s THR 29 Ca -0.02 -0.96 -0.21 0.00 -1.21 0.00 0.00 61.69 59.29 1iu4 s THR 29 Cb -0.03 -1.02 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1iu4 s THR 29 CO -0.02 -0.53 0.83 1.33 -2.21 0.00 0.00 174.62 174.02 1iu4 n VAL 30 N 0.50 2.63 -0.30 5.08 0.24 -1.26 -0.35 118.33 124.87 1iu4 n VAL 30 Ca -0.18 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.70 1iu4 n VAL 30 Cb 0.60 -0.96 0.17 0.00 -1.47 0.00 0.00 33.84 32.17 1iu4 n VAL 30 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1iu4 n VAL 31 N -1.12 -0.35 -0.07 3.34 0.31 0.12 -1.06 118.33 119.50 1iu4 n VAL 31 Ca 0.11 1.90 -0.01 0.00 -0.01 0.00 0.00 64.34 66.33 1iu4 n VAL 31 Cb 0.43 -2.68 0.27 0.00 -0.91 0.00 0.00 33.84 30.95 1iu4 n VAL 31 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1iu4 h ASN 32 N 0.00 0.63 0.05 4.52 2.35 -1.90 0.13 115.58 121.35 1iu4 h ASN 32 Ca 0.44 -0.09 -0.24 0.00 -0.55 0.00 0.00 56.30 55.86 1iu4 h ASN 32 Cb 0.78 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.00 1iu4 h ASN 32 CO -0.84 0.62 -0.93 -1.13 -1.65 0.00 0.00 177.43 173.50 1iu4 h ASN 33 N 0.67 0.82 0.30 5.81 -0.00 -1.45 -3.13 115.58 118.59 1iu4 h ASN 33 Ca 0.15 -0.62 -0.00 0.00 -0.00 0.00 0.00 56.30 55.84 1iu4 h ASN 33 Cb 0.23 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.29 1iu4 h ASN 33 CO -0.00 1.41 -0.26 0.22 -0.00 0.00 0.00 177.43 178.80 1iu4 h TYR 34 N 0.39 -0.69 -0.93 0.67 3.20 -0.31 -1.99 116.97 117.31 1iu4 h TYR 34 Ca -0.09 0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.14 1iu4 h TYR 34 Cb 1.57 0.26 -0.17 0.00 1.54 0.00 0.00 36.73 39.94 1iu4 h TYR 34 CO 0.09 -0.38 0.39 -0.89 -1.64 0.00 0.00 178.16 175.72 1iu4 n ILE 35 N -5.38 -0.39 -0.15 1.81 5.41 0.37 0.77 119.36 121.79 1iu4 n ILE 35 Ca -0.09 1.92 -0.05 0.00 1.00 0.00 0.00 62.75 65.54 1iu4 n ILE 35 Cb 0.29 -3.04 0.14 0.00 -0.71 0.00 0.00 39.64 36.32 1iu4 n ILE 35 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1iu4 h ARG 36 N 0.00 0.89 0.06 0.38 3.08 -1.32 -1.73 114.38 115.75 1iu4 h ARG 36 Ca 0.73 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.56 1iu4 h ARG 36 Cb 1.87 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.80 1iu4 h ARG 36 CO -0.75 0.84 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.73 1iu4 h LYS 37 N 0.84 -0.08 -0.69 0.04 3.64 0.84 -2.49 116.57 118.67 1iu4 h LYS 37 Ca 0.17 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1iu4 h LYS 37 Cb 0.39 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.14 1iu4 h LYS 37 CO 0.01 0.29 -0.53 2.35 -2.27 0.00 0.00 179.45 179.30 1iu4 h TRP 38 N -0.47 -1.67 -1.26 1.91 7.01 -1.05 0.45 115.95 120.87 1iu4 h TRP 38 Ca -0.01 0.10 0.36 0.00 2.11 0.00 0.00 58.89 61.46 1iu4 h TRP 38 Cb 0.41 0.82 -0.08 0.00 -2.10 0.00 0.00 29.16 28.21 1iu4 h TRP 38 CO 0.05 -0.39 0.87 1.96 -2.79 0.00 0.00 178.44 178.14 1iu4 h GLN 39 N -0.15 0.12 0.00 2.65 4.20 -1.35 0.17 115.11 120.75 1iu4 h GLN 39 Ca 0.11 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1iu4 h GLN 39 Cb 0.45 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1iu4 h GLN 39 CO -0.73 0.08 -0.68 1.96 -0.67 0.00 0.00 178.83 178.79 1iu4 h GLN 40 N 0.12 0.00 0.00 1.46 1.08 0.28 -3.39 115.11 114.66 1iu4 h GLN 40 Ca 0.66 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 1iu4 h GLN 40 Cb 2.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.71 1iu4 h GLN 40 CO -0.16 0.68 -0.88 1.33 -0.95 0.00 0.00 178.83 178.84 1iu4 n VAL 41 N -3.42 0.00 0.21 -0.54 0.24 0.05 -4.85 118.33 110.02 1iu4 n VAL 41 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1iu4 n VAL 41 Cb 0.75 -0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 32.37 1iu4 n VAL 41 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1iu4 n TYR 42 N -2.07 0.00 0.29 6.34 0.53 0.48 -4.64 117.16 118.10 1iu4 n TYR 42 Ca 0.00 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.05 1iu4 n TYR 42 Cb 0.44 -0.09 0.85 0.00 -1.03 0.00 0.00 39.34 39.52 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 -3.10 7.72 4.64 -1.47 -3.26 113.55 118.08 1iu4 h SER 43 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1iu4 h SER 43 Cb 0.28 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.53 1iu4 h SER 43 CO 0.00 0.05 -0.15 1.41 -0.87 0.00 0.00 176.83 177.27 1iu4 n HIS 44 N -3.30 0.08 -3.96 4.77 8.25 -1.26 -4.17 115.22 115.62 1iu4 n HIS 44 Ca -0.01 0.47 -0.24 0.00 -0.26 0.00 0.00 57.72 57.68 1iu4 n HIS 44 Cb 0.22 -2.06 -0.17 0.00 1.12 0.00 0.00 29.99 29.10 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 -2.22 1.11 -1.94 -0.41 3.00 -0.33 -3.26 118.95 114.90 1iu4 s ARG 45 Ca 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 55.73 56.30 1iu4 s ARG 45 Cb -0.47 -1.23 0.00 0.00 0.00 0.00 0.00 34.95 33.24 1iu4 s ARG 45 CO 0.53 -0.22 0.00 -0.25 0.00 0.00 0.00 175.30 175.36 1iu4 n ASP 46 N 4.76 -5.63 0.00 0.23 8.00 -0.86 -0.63 116.55 122.43 1iu4 n ASP 46 Ca -0.14 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1iu4 n ASP 46 Cb 0.50 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 1iu4 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iu4 n GLY 47 N -0.76 0.99 3.35 0.44 0.00 -1.26 -5.03 105.19 102.91 1iu4 n GLY 47 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1iu4 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iu4 s ARG 48 N -0.54 2.84 0.51 1.61 3.00 0.20 -4.96 118.95 121.61 1iu4 s ARG 48 Ca 0.00 -1.37 -0.22 0.00 -1.00 0.00 0.00 55.73 53.14 1iu4 s ARG 48 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 34.95 30.90 1iu4 s ARG 48 CO 0.00 -0.99 1.24 -1.59 0.00 0.00 0.00 175.30 173.96 1iu4 s LYS 49 N 1.56 3.42 0.25 5.12 -2.85 -1.26 -1.19 119.74 124.80 1iu4 s LYS 49 Ca 0.04 1.94 0.03 0.00 -1.00 0.00 0.00 55.97 56.97 1iu4 s LYS 49 Cb -0.24 -2.28 -0.05 0.00 -2.06 0.00 0.00 37.83 33.20 1iu4 s LYS 49 CO 0.05 -0.87 0.04 -0.65 0.10 0.00 0.00 175.35 174.02 1iu4 s GLN 50 N -2.88 1.41 0.15 1.78 -1.52 -1.26 -4.91 119.66 112.43 1iu4 s GLN 50 Ca 0.69 -1.74 -0.29 0.00 -1.95 0.00 0.00 55.36 52.07 1iu4 s GLN 50 Cb -0.33 -0.52 -0.07 0.00 -0.22 0.00 0.00 33.01 31.87 1iu4 s GLN 50 CO 0.39 -0.18 0.91 -0.65 -0.25 0.00 0.00 175.29 175.50 1iu4 s GLN 51 N -3.93 4.70 -0.05 2.91 -0.21 -1.26 -4.61 119.66 117.22 1iu4 s GLN 51 Ca 0.33 1.38 -0.31 0.00 0.02 0.00 0.00 55.36 56.77 1iu4 s GLN 51 Cb 0.07 -3.33 -0.10 0.00 1.00 0.00 0.00 33.01 30.65 1iu4 s GLN 51 CO 0.11 0.35 1.99 -0.12 -2.12 0.00 0.00 175.29 175.50 1iu4 n MET 52 N 2.28 2.48 -1.10 2.91 0.00 -1.26 -4.94 117.12 117.49 1iu4 n MET 52 Ca -0.00 0.88 -0.31 0.00 -0.00 0.00 0.00 57.70 58.27 1iu4 n MET 52 Cb 0.49 -2.90 0.11 0.00 0.00 0.00 0.00 33.22 30.92 1iu4 n MET 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iu4 s THR 53 N 4.92 2.88 0.20 1.12 -4.23 -1.26 -4.67 115.64 114.61 1iu4 s THR 53 Ca 0.92 0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 61.56 1iu4 s THR 53 Cb -0.52 -2.63 0.18 0.00 1.34 0.00 0.00 72.50 70.87 1iu4 s THR 53 CO 0.45 -0.37 1.60 -0.08 -0.54 0.00 0.00 174.62 175.68 1iu4 h GLU 54 N -1.31 -0.10 -0.46 3.99 4.57 -1.98 0.18 114.58 119.48 1iu4 h GLU 54 Ca -0.44 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1iu4 h GLU 54 Cb 1.25 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 1iu4 h GLU 54 CO 0.48 -0.06 0.29 1.49 -1.18 0.00 0.00 179.01 180.03 1iu4 h GLU 55 N -0.10 0.58 0.13 1.92 4.81 -1.98 0.70 114.58 120.64 1iu4 h GLU 55 Ca 0.27 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1iu4 h GLU 55 Cb 0.53 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1iu4 h GLU 55 CO -0.68 0.38 -0.45 1.96 -0.73 0.00 0.00 179.01 179.49 1iu4 h GLN 56 N 0.60 -0.67 -0.73 1.92 4.20 -1.74 0.28 115.11 118.97 1iu4 h GLN 56 Ca 0.17 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.14 1iu4 h GLN 56 Cb -0.04 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1iu4 h GLN 56 CO -0.05 -0.44 0.56 0.00 -0.67 0.00 0.00 178.83 178.22 1iu4 h ARG 57 N -0.69 0.00 0.02 1.46 3.08 -0.21 -0.04 114.38 117.99 1iu4 h ARG 57 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1iu4 h ARG 57 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1iu4 h ARG 57 CO -0.25 0.00 -0.01 1.49 -1.07 0.00 0.00 179.97 180.13 1iu4 h GLU 58 N 0.00 -0.03 -0.68 0.04 4.81 -0.42 -2.44 114.58 115.86 1iu4 h GLU 58 Ca 0.35 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1iu4 h GLU 58 Cb 1.46 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.74 1iu4 h GLU 58 CO -0.00 0.63 -0.44 -1.49 -0.73 0.00 0.00 179.01 176.97 1iu4 h TRP 59 N -0.73 -1.31 -0.86 0.92 6.55 -0.06 -2.28 115.95 118.18 1iu4 h TRP 59 Ca -0.00 0.09 0.21 0.00 0.95 0.00 0.00 58.89 60.14 1iu4 h TRP 59 Cb 0.67 0.67 -0.15 0.00 -0.86 0.00 0.00 29.16 29.49 1iu4 h TRP 59 CO 0.16 -0.41 0.03 1.25 -1.05 0.00 0.00 178.44 178.42 1iu4 h LEU 60 N -0.17 -0.37 -1.01 -4.49 5.85 -1.04 -1.69 115.31 112.38 1iu4 h LEU 60 Ca 0.20 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1iu4 h LEU 60 Cb 0.55 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1iu4 h LEU 60 CO -0.76 -0.24 0.05 -1.54 -0.34 0.00 0.00 178.44 175.61 1iu4 n SER 61 N -5.39 0.40 0.20 1.25 3.41 -0.86 -1.60 113.62 111.02 1iu4 n SER 61 Ca 0.18 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.52 1iu4 n SER 61 Cb 0.59 -0.70 0.37 0.00 -0.26 0.00 0.00 64.21 64.21 1iu4 n SER 61 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1iu4 h TYR 62 N 0.00 0.00 0.00 7.33 0.05 -1.37 0.18 116.97 123.16 1iu4 h TYR 62 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1iu4 h TYR 62 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1iu4 h TYR 62 CO 0.00 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.85 1iu4 n GLY 63 N 0.21 0.28 0.02 3.88 0.00 -0.63 -3.42 105.19 105.53 1iu4 n GLY 63 Ca -0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -0.23 0.00 3.04 -1.85 -3.36 116.25 113.85 1iu4 h VAL 65 Ca 0.01 -0.55 0.02 0.00 -1.01 0.00 0.00 66.70 65.17 1iu4 h VAL 65 Cb 0.01 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1iu4 h VAL 65 CO -0.03 0.00 0.08 1.23 -1.01 0.00 0.00 177.57 177.84 1iu4 h GLY 66 N 2.69 0.29 1.73 3.17 0.00 -1.64 -1.17 103.07 108.13 1iu4 h GLY 66 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1iu4 h GLY 66 CO 0.00 0.03 -0.78 -0.24 0.00 0.00 0.00 176.54 175.56 1iu4 h VAL 67 N 0.19 1.44 0.44 4.60 3.04 -1.74 -2.09 116.25 122.13 1iu4 h VAL 67 Ca 0.10 -2.35 -0.02 0.00 -1.01 0.00 0.00 66.70 63.43 1iu4 h VAL 67 Cb 0.06 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1iu4 h VAL 67 CO -0.10 0.69 -0.27 0.74 -1.01 0.00 0.00 177.57 177.62 1iu4 h THR 68 N 0.16 0.44 -0.76 3.17 2.02 -1.79 0.08 112.91 116.23 1iu4 h THR 68 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1iu4 h THR 68 Cb 1.36 0.44 -0.12 0.00 -1.74 0.00 0.00 68.15 68.10 1iu4 h THR 68 CO 0.12 0.00 -0.49 -0.25 0.37 0.00 0.00 175.52 175.27 1iu4 h TRP 69 N -0.67 -1.50 -0.20 3.16 2.91 -1.24 0.72 115.95 119.12 1iu4 h TRP 69 Ca -0.05 0.10 -0.14 0.00 1.13 0.00 0.00 58.89 59.94 1iu4 h TRP 69 Cb 0.55 0.76 -0.01 0.00 -0.51 0.00 0.00 29.16 29.95 1iu4 h TRP 69 CO -0.09 -0.41 -0.45 -0.39 -1.03 0.00 0.00 178.44 176.06 1iu4 h VAL 70 N -0.14 1.31 0.00 2.65 -1.51 -1.29 1.02 116.25 118.29 1iu4 h VAL 70 Ca 0.19 -1.64 -0.05 0.00 -1.23 0.00 0.00 66.70 63.96 1iu4 h VAL 70 Cb 0.53 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1iu4 h VAL 70 CO -0.81 0.51 -0.25 0.78 -1.23 0.00 0.00 177.57 176.58 1iu4 h ASN 71 N 0.41 0.00 0.00 4.19 -0.26 -0.74 -3.21 115.58 115.97 1iu4 h ASN 71 Ca 0.03 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.50 1iu4 h ASN 71 Cb 0.95 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.16 1iu4 h ASN 71 CO 0.08 0.25 -2.15 -1.54 -1.06 0.00 0.00 177.43 173.01 1iu4 n SER 72 N -3.99 0.64 0.00 5.81 3.41 0.22 -4.75 113.62 114.97 1iu4 n SER 72 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1iu4 n SER 72 Cb 0.32 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 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 1.83 0.50 2.95 5.00 0.00 0.35 -4.93 105.19 110.89 1iu4 n GLY 73 Ca -0.24 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1iu4 n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iu4 s GLN 74 N -1.21 0.24 0.01 1.61 0.74 -1.09 -5.00 119.66 114.97 1iu4 s GLN 74 Ca 0.00 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.65 1iu4 s GLN 74 Cb 0.00 0.07 -0.07 0.00 1.10 0.00 0.00 33.01 34.11 1iu4 s GLN 74 CO 0.00 -0.03 1.59 -0.47 -0.55 0.00 0.00 175.29 175.82 1iu4 s TYR 75 N -1.07 2.40 -0.24 1.67 6.14 -1.26 -4.32 117.35 120.66 1iu4 s TYR 75 Ca -0.12 0.41 -0.06 0.00 0.64 0.00 0.00 57.07 57.94 1iu4 s TYR 75 Cb -0.07 -3.87 -0.06 0.00 0.42 0.00 0.00 41.96 38.38 1iu4 s TYR 75 CO -0.01 -3.49 0.60 -2.30 0.64 0.00 0.00 175.55 170.99 1iu4 n PRO 76 N 6.02 0.00 -0.01 4.97 -0.02 -1.26 -4.87 135.00 139.82 1iu4 n PRO 76 Ca 0.16 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1iu4 n PRO 76 Cb 0.42 -0.32 -0.00 0.00 -0.02 0.00 0.00 33.50 33.57 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 1.64 -0.02 -1.84 3.45 -2.24 -1.26 -4.93 114.28 109.08 1iu4 n THR 77 Ca 0.16 0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 62.07 1iu4 n THR 77 Cb 0.01 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.82 -1.25 -0.08 3.42 5.03 -1.26 -4.85 115.26 113.45 1iu4 n ASN 78 Ca 0.00 0.26 -0.13 0.00 0.87 0.00 0.00 54.58 55.59 1iu4 n ASN 78 Cb 0.01 -1.33 -0.05 0.00 -1.02 0.00 0.00 39.78 37.38 1iu4 n ASN 78 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1iu4 h ARG 79 N 0.00 0.48 -4.12 3.52 2.47 -1.91 -3.38 114.38 111.44 1iu4 h ARG 79 Ca -0.06 -0.22 -0.77 0.00 -1.26 0.00 0.00 59.98 57.67 1iu4 h ARG 79 Cb 0.65 -0.01 -0.24 0.00 -1.65 0.00 0.00 29.97 28.73 1iu4 h ARG 79 CO 0.08 0.78 0.38 -1.17 0.56 0.00 0.00 179.97 180.61 1iu4 s LEU 80 N -9.17 6.23 -0.01 3.04 2.96 -1.26 -4.60 118.68 115.86 1iu4 s LEU 80 Ca -0.13 -2.69 0.06 0.00 -0.22 0.00 0.00 54.13 51.15 1iu4 s LEU 80 Cb 0.07 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1iu4 s LEU 80 CO 0.77 -0.65 -0.20 0.00 -1.32 0.00 0.00 176.35 174.95 1iu4 s ALA 81 N 0.62 1.69 0.15 5.97 0.00 -1.26 -1.73 121.76 127.19 1iu4 s ALA 81 Ca 0.24 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.43 1iu4 s ALA 81 Cb -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1iu4 s ALA 81 CO -0.08 0.41 -0.21 -0.06 0.00 0.00 0.00 175.76 175.82 1iu4 s PHE 82 N -0.48 2.43 0.35 0.00 0.40 -0.67 -0.08 117.98 119.92 1iu4 s PHE 82 Ca 0.08 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1iu4 s PHE 82 Cb -0.08 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1iu4 s PHE 82 CO -0.01 0.42 0.49 0.00 0.70 0.00 0.00 175.22 176.82 1iu4 s ALA 83 N -1.33 0.76 -0.07 5.36 0.00 -0.54 -1.03 121.76 124.92 1iu4 s ALA 83 Ca 0.18 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.66 1iu4 s ALA 83 Cb -0.09 1.14 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1iu4 s ALA 83 CO 0.10 -0.80 -0.16 0.45 0.00 0.00 0.00 175.76 175.35 1iu4 s SER 84 N -3.24 2.10 -0.14 0.00 0.15 -1.25 -4.65 113.70 106.66 1iu4 s SER 84 Ca 0.30 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 1iu4 s SER 84 Cb -0.01 -0.88 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1iu4 s SER 84 CO 0.21 0.09 -0.06 0.12 1.20 0.00 0.00 173.24 174.79 1iu4 s PHE 85 N 0.45 1.56 -0.72 3.44 2.19 -1.26 -0.95 117.98 122.70 1iu4 s PHE 85 Ca -0.13 -0.92 -0.26 0.00 0.33 0.00 0.00 56.93 55.95 1iu4 s PHE 85 Cb -0.15 -1.26 0.01 0.00 -1.31 0.00 0.00 43.02 40.31 1iu4 s PHE 85 CO 0.04 -0.57 1.55 0.34 1.83 0.00 0.00 175.22 178.42 1iu4 s ASP 86 N 1.68 5.78 0.29 6.13 -1.08 -0.04 -4.80 116.67 124.63 1iu4 s ASP 86 Ca 0.02 -0.23 0.01 0.00 -0.52 0.00 0.00 52.55 51.84 1iu4 s ASP 86 Cb -0.14 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.20 1iu4 s ASP 86 CO -0.08 -2.07 1.77 -0.08 0.52 0.00 0.00 175.17 175.23 1iu4 h GLU 87 N 11.99 0.60 0.00 4.34 4.57 -1.97 -2.32 114.58 131.78 1iu4 h GLU 87 Ca -0.22 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.66 1iu4 h GLU 87 Cb 1.09 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 1iu4 h GLU 87 CO 1.26 0.70 -0.60 -0.44 -1.18 0.00 0.00 179.01 178.75 1iu4 h ASP 88 N 0.55 0.00 -0.09 1.04 5.19 -1.99 -1.61 116.42 119.52 1iu4 h ASP 88 Ca 0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1iu4 h ASP 88 Cb 0.52 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1iu4 h ASP 88 CO 0.03 0.60 0.05 -0.09 -3.12 0.00 0.00 179.24 176.71 1iu4 h ARG 89 N 0.00 0.12 0.05 3.56 2.43 -1.92 -2.83 114.38 115.79 1iu4 h ARG 89 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1iu4 h ARG 89 Cb 1.31 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1iu4 h ARG 89 CO 0.08 0.18 -0.04 0.35 -1.51 0.00 0.00 179.97 179.03 1iu4 h PHE 90 N 0.04 -0.11 -0.54 2.20 -0.00 -1.32 0.10 116.94 117.31 1iu4 h PHE 90 Ca 0.03 -0.00 0.18 0.00 -0.00 0.00 0.00 57.97 58.18 1iu4 h PHE 90 Cb 0.09 0.04 -0.10 0.00 -0.00 0.00 0.00 35.95 35.98 1iu4 h PHE 90 CO -0.04 -0.05 0.10 1.63 -0.00 0.00 0.00 178.31 179.95 1iu4 n LYS 91 N -2.43 -0.04 0.03 1.11 5.02 -0.61 -0.88 118.16 120.35 1iu4 n LYS 91 Ca -0.01 0.79 -0.04 0.00 -2.02 0.00 0.00 58.31 57.04 1iu4 n LYS 91 Cb 0.04 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1iu4 n LYS 91 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1iu4 h ASN 92 N 0.00 0.00 -0.17 4.39 2.35 -1.22 -1.57 115.58 119.36 1iu4 h ASN 92 Ca 0.37 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1iu4 h ASN 92 Cb 0.86 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1iu4 h ASN 92 CO -0.48 0.77 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.83 1iu4 h GLU 93 N 0.00 0.57 -0.54 0.81 4.81 -0.01 -3.11 114.58 117.11 1iu4 h GLU 93 Ca -0.17 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1iu4 h GLU 93 Cb 1.73 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.97 1iu4 h GLU 93 CO 0.07 0.71 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.43 1iu4 h LEU 94 N 0.52 -1.91 -7.36 1.64 3.38 -0.95 -1.89 115.31 108.74 1iu4 h LEU 94 Ca 0.09 0.26 -0.61 0.00 0.09 0.00 0.00 57.88 57.71 1iu4 h LEU 94 Cb 0.57 0.80 -0.40 0.00 0.09 0.00 0.00 40.66 41.72 1iu4 h LEU 94 CO 0.04 -0.36 -0.74 -0.75 0.09 0.00 0.00 178.44 176.71 1iu4 s LYS 95 N -5.63 1.02 0.00 1.13 2.20 -0.60 -4.62 119.74 113.24 1iu4 s LYS 95 Ca -0.14 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1iu4 s LYS 95 Cb 0.09 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1iu4 s LYS 95 CO 0.62 -0.97 0.00 0.09 -0.36 0.00 0.00 175.35 174.73 1iu4 n ASN 96 N 4.60 0.00 -4.73 1.43 3.02 -1.18 -4.88 115.26 113.52 1iu4 n ASN 96 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1iu4 n ASN 96 Cb 0.42 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.70 1iu4 n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1iu4 s GLY 97 N 0.00 1.93 -0.09 7.41 0.00 -0.72 -5.06 107.32 110.79 1iu4 s GLY 97 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.29 1iu4 s GLY 97 CO 0.00 0.95 -0.09 0.50 0.00 0.00 0.00 173.10 174.45 1iu4 s ARG 98 N -4.44 1.56 0.28 2.90 0.52 -1.26 -4.82 118.95 113.67 1iu4 s ARG 98 Ca 0.67 -0.30 -0.26 0.00 -0.52 0.00 0.00 55.73 55.31 1iu4 s ARG 98 Cb -0.22 -1.49 -0.16 0.00 0.52 0.00 0.00 34.95 33.60 1iu4 s ARG 98 CO 0.51 -0.15 0.51 -2.30 0.02 0.00 0.00 175.30 173.89 1iu4 n PRO 99 N 4.49 0.25 -0.20 3.54 -0.02 -1.26 -4.99 135.00 136.80 1iu4 n PRO 99 Ca -0.17 0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1iu4 n PRO 99 Cb 0.51 -1.17 0.02 0.00 -0.02 0.00 0.00 33.50 32.84 1iu4 n PRO 99 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1iu4 n ARG 100 N 0.98 -0.16 -2.31 -0.52 1.85 -1.26 -4.98 116.66 110.26 1iu4 n ARG 100 Ca 0.15 -0.22 -0.36 0.00 -1.00 0.00 0.00 57.85 56.41 1iu4 n ARG 100 Cb 0.30 -0.15 -0.01 0.00 -1.05 0.00 0.00 32.46 31.55 1iu4 n ARG 100 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1iu4 s SER 101 N -1.53 6.14 0.00 2.89 0.01 -1.26 -2.83 113.70 117.12 1iu4 s SER 101 Ca 0.08 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1iu4 s SER 101 Cb -0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1iu4 s SER 101 CO 0.06 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1iu4 n GLY 102 N 0.31 1.17 3.76 3.44 0.00 -1.26 -4.96 105.19 107.65 1iu4 n GLY 102 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.24 0.77 1.61 2.12 -1.13 -5.02 118.70 121.29 1iu4 s GLU 103 Ca 0.00 2.37 -0.05 0.00 0.36 0.00 0.00 54.97 57.65 1iu4 s GLU 103 Cb 0.00 -3.07 0.14 0.00 0.26 0.00 0.00 34.13 31.46 1iu4 s GLU 103 CO 0.00 -0.42 1.07 0.95 -0.54 0.00 0.00 175.26 176.32 1iu4 s THR 104 N -0.43 2.13 0.12 -1.70 -4.23 -1.26 -4.76 115.64 105.52 1iu4 s THR 104 Ca 0.57 -0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 60.35 1iu4 s THR 104 Cb -0.43 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.63 1iu4 s THR 104 CO 0.49 0.00 1.59 -0.09 -0.54 0.00 0.00 174.62 176.07 1iu4 h ARG 105 N -0.78 -0.52 -0.23 3.99 9.65 -2.00 -2.08 114.38 122.41 1iu4 h ARG 105 Ca -0.39 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 58.59 1iu4 h ARG 105 Cb 1.26 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.95 1iu4 h ARG 105 CO 0.42 -0.35 0.20 0.00 2.80 0.00 0.00 179.97 183.04 1iu4 h ALA 106 N 0.03 2.02 0.18 2.80 0.00 -1.96 -0.48 119.26 121.84 1iu4 h ALA 106 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1iu4 h ALA 106 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iu4 h ALA 106 CO -0.34 -0.32 -0.08 0.93 0.00 0.00 0.00 179.25 179.43 1iu4 h GLU 107 N 0.00 -0.23 -0.45 0.00 5.08 -1.75 -1.26 114.58 115.97 1iu4 h GLU 107 Ca 0.11 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1iu4 h GLU 107 Cb 0.51 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1iu4 h GLU 107 CO -0.00 0.19 -0.27 0.34 -1.00 0.00 0.00 179.01 178.27 1iu4 n PHE 108 N -4.94 -0.20 0.00 4.33 -0.00 -0.83 -1.47 117.46 114.35 1iu4 n PHE 108 Ca -0.08 0.56 -0.01 0.00 -0.00 0.00 0.00 57.45 57.92 1iu4 n PHE 108 Cb 0.26 -0.49 0.26 0.00 -0.00 0.00 0.00 39.48 39.52 1iu4 n PHE 108 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iu4 h GLU 109 N 0.00 0.51 -0.16 -4.13 5.08 -1.14 -0.04 114.58 114.70 1iu4 h GLU 109 Ca 0.07 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1iu4 h GLU 109 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1iu4 h GLU 109 CO -0.42 0.61 0.05 0.78 -1.00 0.00 0.00 179.01 179.02 1iu4 h GLY 110 N 0.90 0.23 0.47 -3.84 0.00 -0.23 -1.04 103.07 99.56 1iu4 h GLY 110 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1iu4 h GLY 110 CO 0.02 0.10 -0.46 -0.09 0.00 0.00 0.00 176.54 176.11 1iu4 h ARG 111 N 0.22 0.21 0.00 4.80 2.43 -0.96 -1.68 114.38 119.40 1iu4 h ARG 111 Ca 0.06 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 1iu4 h ARG 111 Cb 0.07 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1iu4 h ARG 111 CO -0.00 1.09 -0.28 -0.39 -1.51 0.00 0.00 179.97 178.88 1iu4 h VAL 112 N -0.53 0.92 0.81 0.20 -1.51 -0.99 -0.39 116.25 114.76 1iu4 h VAL 112 Ca -0.07 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.30 1iu4 h VAL 112 Cb 1.30 1.62 0.01 0.00 -2.13 0.00 0.00 31.29 32.08 1iu4 h VAL 112 CO 0.09 0.27 -0.41 0.00 -1.23 0.00 0.00 177.57 176.29 1iu4 h ALA 113 N 1.72 -1.29 -0.83 5.19 0.00 -1.22 -0.58 119.26 122.26 1iu4 h ALA 113 Ca -0.00 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.80 1iu4 h ALA 113 Cb 0.60 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1iu4 h ALA 113 CO 0.04 -1.21 -0.30 1.17 0.00 0.00 0.00 179.25 178.95 1iu4 n LYS 114 N -5.07 -0.17 0.26 0.00 4.81 -0.63 -0.79 118.16 116.58 1iu4 n LYS 114 Ca -0.14 1.28 0.15 0.00 -0.87 0.00 0.00 58.31 58.72 1iu4 n LYS 114 Cb 0.44 -1.90 0.64 0.00 0.02 0.00 0.00 35.03 34.24 1iu4 n LYS 114 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1iu4 h GLU 115 N 0.00 0.00 -0.11 1.64 5.08 -1.03 -3.00 114.58 117.15 1iu4 h GLU 115 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1iu4 h GLU 115 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iu4 h GLU 115 CO -0.83 0.09 0.00 0.43 -1.00 0.00 0.00 179.01 177.70 1iu4 n SER 116 N -3.25 0.79 -4.85 1.42 7.64 0.03 -4.78 113.62 110.63 1iu4 n SER 116 Ca -0.00 -1.77 -0.34 0.00 1.01 0.00 0.00 58.87 57.77 1iu4 n SER 116 Cb 0.33 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1iu4 n SER 116 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iu4 s PHE 117 N -1.85 3.52 -0.30 1.43 0.40 -1.14 -0.86 117.98 119.18 1iu4 s PHE 117 Ca 0.20 1.12 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 1iu4 s PHE 117 Cb 0.10 -2.43 0.08 0.00 0.51 0.00 0.00 43.02 41.29 1iu4 s PHE 117 CO 0.16 0.30 0.00 0.34 0.70 0.00 0.00 175.22 176.72 1iu4 s ASP 118 N -1.97 4.48 0.07 1.36 -1.08 -0.12 -4.95 116.67 114.45 1iu4 s ASP 118 Ca 0.45 -1.78 -0.19 0.00 -0.52 0.00 0.00 52.55 50.51 1iu4 s ASP 118 Cb -0.13 -1.46 -0.11 0.00 -1.46 0.00 0.00 42.92 39.76 1iu4 s ASP 118 CO 0.20 -0.32 1.43 -0.33 0.52 0.00 0.00 175.17 176.67 1iu4 h GLU 119 N 7.75 0.44 -0.61 4.34 4.39 -1.96 0.08 114.58 129.01 1iu4 h GLU 119 Ca -0.11 -0.19 0.10 0.00 0.34 0.00 0.00 59.36 59.50 1iu4 h GLU 119 Cb 1.03 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 1iu4 h GLU 119 CO 0.48 0.71 0.22 1.49 -1.16 0.00 0.00 179.01 180.76 1iu4 h GLU 120 N 0.14 0.38 0.01 2.33 4.57 -1.98 0.15 114.58 120.19 1iu4 h GLU 120 Ca 0.05 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.00 1iu4 h GLU 120 Cb 0.58 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1iu4 h GLU 120 CO 0.03 0.25 -0.90 0.87 -1.18 0.00 0.00 179.01 178.08 1iu4 h LYS 121 N 0.39 0.23 -0.40 1.92 1.57 -1.93 0.31 116.57 118.66 1iu4 h LYS 121 Ca 0.31 -0.25 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1iu4 h LYS 121 Cb 0.39 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 1iu4 h LYS 121 CO -0.32 0.99 -0.17 0.78 -0.57 0.00 0.00 179.45 180.16 1iu4 h GLY 122 N 1.76 0.15 0.94 3.86 0.00 -0.17 -0.06 103.07 109.56 1iu4 h GLY 122 Ca -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1iu4 h GLY 122 CO 0.14 -0.19 -0.12 -2.75 0.00 0.00 0.00 176.54 173.62 1iu4 h PHE 123 N -0.09 -0.31 -0.79 5.60 3.57 -0.73 -0.88 116.94 123.31 1iu4 h PHE 123 Ca 0.20 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.88 1iu4 h PHE 123 Cb 0.39 0.10 -0.13 0.00 2.79 0.00 0.00 35.95 39.10 1iu4 h PHE 123 CO -0.41 -0.15 0.09 1.96 -2.23 0.00 0.00 178.31 177.57 1iu4 h GLN 124 N -0.40 0.15 -0.42 1.11 4.20 -0.28 0.77 115.11 120.23 1iu4 h GLN 124 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1iu4 h GLN 124 Cb 0.31 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1iu4 h GLN 124 CO 0.06 0.10 0.28 -0.09 -0.67 0.00 0.00 178.83 178.50 1iu4 h ARG 125 N 0.15 0.55 -0.86 1.46 9.65 -0.99 0.78 114.38 125.13 1iu4 h ARG 125 Ca 0.45 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.44 1iu4 h ARG 125 Cb 0.83 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.19 1iu4 h ARG 125 CO -0.64 0.37 0.46 0.00 2.80 0.00 0.00 179.97 182.95 1iu4 h ALA 126 N 1.15 1.30 -0.61 2.80 0.00 -0.34 -0.90 119.26 122.66 1iu4 h ALA 126 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1iu4 h ALA 126 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1iu4 h ALA 126 CO -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 179.23 1iu4 h ARG 127 N 0.66 1.03 -0.23 0.00 3.08 -0.48 -1.52 114.38 116.91 1iu4 h ARG 127 Ca 0.46 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1iu4 h ARG 127 Cb 0.63 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1iu4 h ARG 127 CO -0.35 0.97 -0.20 0.93 -1.07 0.00 0.00 179.97 180.26 1iu4 h GLU 128 N 0.93 0.55 -0.29 0.04 5.08 -0.30 -1.75 114.58 118.83 1iu4 h GLU 128 Ca 0.18 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1iu4 h GLU 128 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1iu4 h GLU 128 CO 0.02 0.85 0.13 0.28 -1.00 0.00 0.00 179.01 179.29 1iu4 h VAL 129 N 0.25 0.96 -0.77 3.13 2.07 -1.16 -1.87 116.25 118.85 1iu4 h VAL 129 Ca 0.04 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1iu4 h VAL 129 Cb 0.74 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 1iu4 h VAL 129 CO 0.05 0.05 0.32 0.00 0.02 0.00 0.00 177.57 178.01 1iu4 h ALA 130 N 1.17 1.10 -0.18 1.67 0.00 -1.24 -0.59 119.26 121.19 1iu4 h ALA 130 Ca 0.13 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1iu4 h ALA 130 Cb 0.06 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1iu4 h ALA 130 CO -0.10 -0.20 -0.22 1.03 0.00 0.00 0.00 179.25 179.76 1iu4 h SER 131 N 0.46 -0.68 0.13 0.00 0.87 -1.17 0.18 113.55 113.34 1iu4 h SER 131 Ca 0.43 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 61.12 1iu4 h SER 131 Cb 0.65 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 1iu4 h SER 131 CO -0.41 -0.26 -0.51 0.58 -0.53 0.00 0.00 176.83 175.71 1iu4 h VAL 132 N -0.25 0.00 -0.98 2.23 2.07 -0.40 -0.46 116.25 118.47 1iu4 h VAL 132 Ca 0.12 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.84 1iu4 h VAL 132 Cb 0.42 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 1iu4 h VAL 132 CO -0.33 0.00 0.57 0.24 0.02 0.00 0.00 177.57 178.07 1iu4 h MET 133 N -0.73 0.65 0.11 1.57 2.86 -1.13 -0.68 114.93 117.58 1iu4 h MET 133 Ca -0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1iu4 h MET 133 Cb 0.73 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1iu4 h MET 133 CO -0.26 0.43 -0.24 -0.91 1.06 0.00 0.00 176.91 176.99 1iu4 h ASN 134 N 0.67 -0.69 -0.53 1.22 -0.26 -0.33 -2.37 115.58 113.29 1iu4 h ASN 134 Ca 0.58 0.08 0.11 0.00 -0.56 0.00 0.00 56.30 56.51 1iu4 h ASN 134 Cb 0.97 0.26 -0.09 0.00 -1.06 0.00 0.00 38.32 38.40 1iu4 h ASN 134 CO -0.42 -0.33 -0.02 0.03 -1.06 0.00 0.00 177.43 175.63 1iu4 h ARG 135 N -0.44 0.09 0.00 0.81 3.08 0.06 -1.61 114.38 116.37 1iu4 h ARG 135 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1iu4 h ARG 135 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1iu4 h ARG 135 CO -0.14 0.06 0.15 0.00 -1.07 0.00 0.00 179.97 178.96 1iu4 n ALA 136 N -2.74 0.81 -0.01 0.04 0.00 -0.37 -2.68 120.51 115.55 1iu4 n ALA 136 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 1iu4 n ALA 136 Cb 0.29 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1iu4 n ALA 136 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1iu4 n LEU 137 N -1.91 0.00 -4.68 0.00 -0.00 -0.83 -4.29 117.00 105.29 1iu4 n LEU 137 Ca -0.01 0.00 -0.46 0.00 -0.00 0.00 0.00 56.01 55.54 1iu4 n LEU 137 Cb 0.16 0.06 -0.04 0.00 -0.00 0.00 0.00 43.42 43.60 1iu4 n LEU 137 CO 0.05 0.06 1.35 -0.62 -0.00 0.00 0.00 177.39 178.23 1iu4 n GLU 138 N -1.94 2.28 -0.18 1.47 -0.58 -0.67 -1.12 120.64 119.90 1iu4 n GLU 138 Ca -0.04 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1iu4 n GLU 138 Cb 0.41 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 1iu4 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1iu4 n ASN 139 N 4.91 0.00 -4.77 1.62 4.13 -1.26 -4.98 115.26 114.91 1iu4 n ASN 139 Ca 0.19 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.07 1iu4 n ASN 139 Cb 0.31 -1.80 -0.03 0.00 -1.54 0.00 0.00 39.78 36.72 1iu4 n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iu4 s ALA 140 N -1.07 3.16 -0.35 5.41 0.00 -0.27 -4.95 121.76 123.68 1iu4 s ALA 140 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1iu4 s ALA 140 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1iu4 s ALA 140 CO 0.00 -0.39 0.54 0.72 0.00 0.00 0.00 175.76 176.64 1iu4 n HIS 141 N 0.15 0.00 -4.10 0.00 8.25 -1.26 -2.12 115.22 116.13 1iu4 n HIS 141 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 1iu4 n HIS 141 Cb 0.47 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.36 0.44 0.12 0.41 -4.77 -1.26 -4.37 116.67 106.87 1iu4 s ASP 142 Ca 0.03 -1.05 -0.17 0.00 -3.30 0.00 0.00 52.55 48.07 1iu4 s ASP 142 Cb 0.02 0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 42.05 1iu4 s ASP 142 CO 0.05 -0.64 1.63 -0.08 0.70 0.00 0.00 175.17 176.83 1iu4 h GLU 143 N 3.07 0.54 -0.86 2.11 4.81 -1.97 -2.71 114.58 119.56 1iu4 h GLU 143 Ca -0.34 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 58.87 1iu4 h GLU 143 Cb 1.16 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.34 1iu4 h GLU 143 CO 0.64 0.58 -0.51 0.77 -0.73 0.00 0.00 179.01 179.76 1iu4 h SER 144 N 0.40 -1.83 -0.21 1.04 0.02 -1.98 0.84 113.55 111.84 1iu4 h SER 144 Ca 0.11 0.30 0.06 0.00 -0.84 0.00 0.00 61.79 61.42 1iu4 h SER 144 Cb 0.27 0.84 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1iu4 h SER 144 CO -0.00 -0.28 0.16 0.00 -1.14 0.00 0.00 176.83 175.56 1iu4 h ALA 145 N 0.69 2.16 -0.34 3.77 0.00 -1.98 -2.79 119.26 120.78 1iu4 h ALA 145 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1iu4 h ALA 145 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1iu4 h ALA 145 CO -0.87 -0.27 0.17 -0.92 0.00 0.00 0.00 179.25 177.36 1iu4 h TYR 146 N 0.00 0.48 0.17 0.00 3.20 -0.54 -0.95 116.97 119.32 1iu4 h TYR 146 Ca 0.10 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1iu4 h TYR 146 Cb 0.41 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1iu4 h TYR 146 CO 0.00 0.40 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.77 1iu4 h LEU 147 N 0.42 -0.19 -0.38 2.82 3.38 -1.24 0.43 115.31 120.54 1iu4 h LEU 147 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iu4 h LEU 147 Cb 0.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1iu4 h LEU 147 CO -0.02 -0.01 0.00 -0.90 0.09 0.00 0.00 178.44 177.60 1iu4 n ASP 148 N -5.13 0.62 0.02 -0.43 5.75 -1.06 -0.18 116.55 116.14 1iu4 n ASP 148 Ca -0.09 0.61 -0.02 0.00 -0.01 0.00 0.00 54.79 55.28 1iu4 n ASP 148 Cb 0.16 -0.76 0.23 0.00 -1.03 0.00 0.00 41.12 39.72 1iu4 n ASP 148 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1iu4 h ASN 149 N 0.00 0.46 0.05 -1.12 -0.26 -1.06 -3.09 115.58 110.56 1iu4 h ASN 149 Ca 0.00 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1iu4 h ASN 149 Cb 0.48 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1iu4 h ASN 149 CO 0.00 0.67 -0.02 0.25 -1.06 0.00 0.00 177.43 177.27 1iu4 h LEU 150 N 0.42 -0.05 -0.80 1.61 5.85 -0.47 -2.97 115.31 118.90 1iu4 h LEU 150 Ca 0.07 -0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.71 1iu4 h LEU 150 Cb 0.59 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.48 1iu4 h LEU 150 CO 0.04 0.55 -0.24 0.50 -0.34 0.00 0.00 178.44 178.95 1iu4 h LYS 151 N -1.00 -0.02 -0.29 1.25 3.64 -0.73 -0.88 116.57 118.53 1iu4 h LYS 151 Ca -0.01 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1iu4 h LYS 151 Cb 0.29 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 1iu4 h LYS 151 CO 0.01 -0.02 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.68 1iu4 h LYS 152 N -0.02 -0.25 0.00 1.90 1.63 -1.67 -1.54 116.57 116.63 1iu4 h LYS 152 Ca 0.36 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1iu4 h LYS 152 Cb 0.59 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1iu4 h LYS 152 CO -0.83 -0.16 0.00 -0.85 -3.45 0.00 0.00 179.45 174.15 1iu4 n GLU 153 N -5.39 0.11 0.14 1.90 0.28 -0.67 -2.34 120.64 114.66 1iu4 n GLU 153 Ca -0.00 0.21 -0.10 0.00 -0.16 0.00 0.00 57.16 57.11 1iu4 n GLU 153 Cb 0.31 -1.66 -0.06 0.00 1.43 0.00 0.00 31.44 31.46 1iu4 n GLU 153 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1iu4 h LEU 154 N 0.00 -0.36 -0.76 -1.84 4.07 -0.59 -2.67 115.31 113.16 1iu4 h LEU 154 Ca 0.00 -0.15 0.15 0.00 0.08 0.00 0.00 57.88 57.96 1iu4 h LEU 154 Cb 0.47 0.09 -0.10 0.00 1.08 0.00 0.00 40.66 42.20 1iu4 h LEU 154 CO 0.00 0.11 0.27 0.00 -1.08 0.00 0.00 178.44 177.73 1iu4 h ALA 155 N -0.70 1.05 -0.65 1.53 0.00 -1.38 0.16 119.26 119.27 1iu4 h ALA 155 Ca -0.04 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1iu4 h ALA 155 Cb 0.49 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1iu4 h ALA 155 CO 0.07 -0.26 0.44 -0.91 0.00 0.00 0.00 179.25 178.59 1iu4 h ASN 156 N 0.38 0.26 -0.49 0.00 2.35 -1.51 -0.05 115.58 116.53 1iu4 h ASN 156 Ca 0.42 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1iu4 h ASN 156 Cb 0.68 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1iu4 h ASN 156 CO -0.45 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.08 1iu4 n GLY 157 N -1.56 1.52 3.86 2.83 0.00 -0.37 -4.95 105.19 106.53 1iu4 n GLY 157 Ca 0.12 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 0.90 -4.01 -4.67 1.61 3.02 -0.03 -4.97 115.26 107.11 1iu4 n ASN 158 Ca 0.17 -1.03 -0.36 0.00 -0.03 0.00 0.00 54.58 53.33 1iu4 n ASN 158 Cb 0.49 -1.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.14 1iu4 n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iu4 s ASP 159 N -3.26 6.09 0.07 6.41 -1.08 0.42 -4.93 116.67 120.38 1iu4 s ASP 159 Ca 0.21 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.44 1iu4 s ASP 159 Cb -0.12 -2.09 0.35 0.00 -1.46 0.00 0.00 42.92 39.60 1iu4 s ASP 159 CO 0.84 0.10 1.22 0.00 0.52 0.00 0.00 175.17 177.85 1iu4 n ALA 160 N 4.09 1.16 -0.26 3.66 0.00 -1.26 -0.46 120.51 127.43 1iu4 n ALA 160 Ca -0.15 0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.49 1iu4 n ALA 160 Cb 0.52 -1.11 0.47 0.00 0.00 0.00 0.00 19.45 19.32 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 0.50 -0.63 0.00 5.85 -1.91 0.26 115.31 119.38 1iu4 h LEU 161 Ca 0.00 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1iu4 h LEU 161 Cb 0.06 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 40.93 1iu4 h LEU 161 CO 0.00 0.20 -0.06 -1.14 -0.34 0.00 0.00 178.44 177.10 1iu4 n ARG 162 N -4.55 -0.05 -0.48 1.25 3.00 0.39 -1.26 116.66 114.95 1iu4 n ARG 162 Ca 0.20 0.96 0.08 0.00 -0.00 0.00 0.00 57.85 59.08 1iu4 n ARG 162 Cb 0.65 -1.48 0.29 0.00 0.00 0.00 0.00 32.46 31.92 1iu4 n ARG 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1iu4 n ASN 163 N -4.91 3.91 -4.69 6.15 3.02 0.08 -4.95 115.26 113.87 1iu4 n ASN 163 Ca 0.13 -2.32 -0.37 0.00 -0.03 0.00 0.00 54.58 51.99 1iu4 n ASN 163 Cb 0.41 -0.51 0.07 0.00 -0.61 0.00 0.00 39.78 39.13 1iu4 n ASN 163 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iu4 n GLU 164 N 0.95 1.03 -1.64 3.52 -0.58 -0.39 -4.93 120.64 118.60 1iu4 n GLU 164 Ca 0.21 0.40 -0.43 0.00 -0.42 0.00 0.00 57.16 56.93 1iu4 n GLU 164 Cb 0.72 -2.42 -0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1iu4 n GLU 164 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1iu4 n ASP 165 N -1.58 1.92 0.23 1.62 -0.08 -1.26 -4.85 116.55 112.54 1iu4 n ASP 165 Ca 0.15 1.16 0.16 0.00 -1.51 0.00 0.00 54.79 54.75 1iu4 n ASP 165 Cb 0.48 -1.39 0.80 0.00 2.34 0.00 0.00 41.12 43.35 1iu4 n ASP 165 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iu4 h ALA 166 N 2.11 1.00 -0.09 -1.67 0.00 -1.98 0.22 119.26 118.85 1iu4 h ALA 166 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1iu4 h ALA 166 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1iu4 h ALA 166 CO 0.60 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.39 1iu4 n ARG 167 N -2.60 2.02 -0.92 0.00 1.74 -1.26 -4.00 116.66 111.64 1iu4 n ARG 167 Ca -0.01 -1.49 -0.32 0.00 -0.77 0.00 0.00 57.85 55.26 1iu4 n ARG 167 Cb 0.09 -1.46 0.14 0.00 -1.02 0.00 0.00 32.46 30.21 1iu4 n ARG 167 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iu4 s SER 168 N -1.87 3.36 0.32 0.55 1.04 0.77 -4.65 113.70 113.22 1iu4 s SER 168 Ca 0.34 2.20 0.06 0.00 0.48 0.00 0.00 55.95 59.02 1iu4 s SER 168 Cb 0.20 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.62 1iu4 s SER 168 CO 0.31 -2.81 1.58 -0.65 0.98 0.00 0.00 173.24 172.65 1iu4 h PRO 169 N -1.43 0.02 -0.09 4.02 0.11 -1.89 -0.77 132.00 131.96 1iu4 h PRO 169 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1iu4 h PRO 169 Cb 1.27 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iu4 h PRO 169 CO 0.44 0.01 0.03 0.35 -0.21 0.00 0.00 178.00 178.63 1iu4 h PHE 170 N 0.02 0.14 0.16 0.65 3.57 -1.90 -2.40 116.94 117.18 1iu4 h PHE 170 Ca 0.65 -0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.84 1iu4 h PHE 170 Cb 1.42 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 40.14 1iu4 h PHE 170 CO -0.39 0.26 -1.30 1.88 -2.23 0.00 0.00 178.31 176.52 1iu4 h TYR 171 N -0.02 0.62 0.00 0.41 0.99 -1.74 -3.24 116.97 113.99 1iu4 h TYR 171 Ca 0.03 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1iu4 h TYR 171 Cb 0.18 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.88 1iu4 h TYR 171 CO -0.01 1.35 0.00 -1.13 -0.00 0.00 0.00 178.16 178.37 1iu4 n SER 172 N -3.58 0.00 0.21 3.88 3.41 -0.32 -4.37 113.62 112.85 1iu4 n SER 172 Ca -0.10 0.37 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 1iu4 n SER 172 Cb 1.04 -0.42 0.57 0.00 -0.26 0.00 0.00 64.21 65.14 1iu4 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iu4 h ALA 173 N 2.38 1.87 0.06 7.33 0.00 -1.46 -1.30 119.26 128.15 1iu4 h ALA 173 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iu4 h ALA 173 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iu4 h ALA 173 CO 0.00 0.10 -0.03 1.25 0.00 0.00 0.00 179.25 180.58 1iu4 h LEU 174 N 0.09 -0.07 -0.85 0.00 6.46 -1.86 -3.07 115.31 116.01 1iu4 h LEU 174 Ca 0.02 -0.54 0.19 0.00 -0.12 0.00 0.00 57.88 57.44 1iu4 h LEU 174 Cb 0.08 0.02 -0.12 0.00 -0.73 0.00 0.00 40.66 39.91 1iu4 h LEU 174 CO 0.00 0.63 0.35 -0.09 -0.62 0.00 0.00 178.44 178.72 1iu4 h ARG 175 N -0.90 0.40 0.00 1.25 2.43 -1.77 -1.37 114.38 114.42 1iu4 h ARG 175 Ca -0.01 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1iu4 h ARG 175 Cb 0.61 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1iu4 h ARG 175 CO 0.01 0.26 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.25 1iu4 h ASN 176 N 0.41 0.00 -1.69 -3.80 2.35 -1.37 -3.46 115.58 108.02 1iu4 h ASN 176 Ca 0.51 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.56 1iu4 h ASN 176 Cb 0.91 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.30 1iu4 h ASN 176 CO -0.49 0.58 0.81 0.41 -1.65 0.00 0.00 177.43 177.08 1iu4 n THR 177 N -3.68 0.25 -0.12 2.81 -1.04 -0.52 -4.90 114.28 107.08 1iu4 n THR 177 Ca -0.01 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.91 1iu4 n THR 177 Cb 0.62 -1.23 0.02 0.00 -1.82 0.00 0.00 70.33 67.92 1iu4 n THR 177 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1iu4 h PRO 178 N 6.72 -0.01 0.00 -2.82 0.11 -1.88 -1.01 132.00 133.10 1iu4 h PRO 178 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iu4 h PRO 178 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1iu4 h PRO 178 CO 0.91 -0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 1iu4 h SER 179 N -0.01 0.00 0.15 -2.05 4.64 -1.90 -0.44 113.55 113.94 1iu4 h SER 179 Ca 0.20 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1iu4 h SER 179 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1iu4 h SER 179 CO -0.43 0.00 -0.48 0.15 -0.87 0.00 0.00 176.83 175.20 1iu4 h PHE 180 N 0.00 0.48 0.00 4.77 3.57 -1.38 -3.33 116.94 121.06 1iu4 h PHE 180 Ca 0.00 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1iu4 h PHE 180 Cb 0.09 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1iu4 h PHE 180 CO 0.00 0.80 -0.69 0.87 -2.23 0.00 0.00 178.31 177.06 1iu4 h LYS 181 N 0.31 0.00 -6.00 1.11 1.57 -1.13 0.31 116.57 112.74 1iu4 h LYS 181 Ca 0.02 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 58.01 1iu4 h LYS 181 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1iu4 h LYS 181 CO 0.08 0.10 1.17 0.39 -0.57 0.00 0.00 179.45 180.62 1iu4 n GLU 182 N -2.90 0.12 -0.28 3.15 4.71 -1.02 -4.65 120.64 119.77 1iu4 n GLU 182 Ca 0.00 0.04 0.24 0.00 -0.01 0.00 0.00 57.16 57.43 1iu4 n GLU 182 Cb 0.61 -1.60 0.57 0.00 -1.01 0.00 0.00 31.44 30.01 1iu4 n GLU 182 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1iu4 h ARG 183 N 8.27 0.29 0.00 3.49 2.43 -1.92 -1.44 114.38 125.50 1iu4 h ARG 183 Ca -0.20 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1iu4 h ARG 183 Cb 1.40 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1iu4 h ARG 183 CO 1.05 0.19 -0.46 0.27 -1.51 0.00 0.00 179.97 179.52 1iu4 n ASN 184 N -4.48 0.65 -3.70 -3.80 0.23 -1.26 -4.37 115.26 98.52 1iu4 n ASN 184 Ca 0.22 0.18 -0.11 0.00 -0.53 0.00 0.00 54.58 54.34 1iu4 n ASN 184 Cb 0.88 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 38.42 1iu4 n ASN 184 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1iu4 s GLY 185 N -3.51 -0.29 0.00 4.83 0.00 -0.58 -4.94 107.32 102.83 1iu4 s GLY 185 Ca 0.08 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1iu4 s GLY 185 CO 0.68 1.62 0.00 0.61 0.00 0.00 0.00 173.10 176.01 1iu4 n GLY 186 N 4.30 2.04 2.46 0.20 0.00 -1.25 -4.21 105.19 108.72 1iu4 n GLY 186 Ca -0.23 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 3.49 -5.23 -0.69 1.61 4.05 -0.93 -2.02 115.26 115.53 1iu4 n ASN 187 Ca 0.00 0.27 -0.09 0.00 0.45 0.00 0.00 54.58 55.21 1iu4 n ASN 187 Cb 0.00 -4.32 -0.04 0.00 1.23 0.00 0.00 39.78 36.65 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 -3.08 0.00 -3.71 1.20 8.25 0.10 -5.00 115.22 112.99 1iu4 n HIS 188 Ca -0.20 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 1iu4 n HIS 188 Cb 0.62 -2.17 -0.12 0.00 1.12 0.00 0.00 29.99 29.44 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 -2.50 5.33 0.29 0.41 3.68 -0.86 -4.33 116.67 118.69 1iu4 s ASP 189 Ca 0.00 -0.66 0.04 0.00 2.13 0.00 0.00 52.55 54.06 1iu4 s ASP 189 Cb 0.00 -1.94 0.68 0.00 -1.45 0.00 0.00 42.92 40.22 1iu4 s ASP 189 CO 0.00 -0.21 1.78 -0.65 0.13 0.00 0.00 175.17 176.23 1iu4 h PRO 190 N 8.29 0.75 0.00 4.34 0.11 -1.77 -1.60 132.00 142.13 1iu4 h PRO 190 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1iu4 h PRO 190 Cb 1.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1iu4 h PRO 190 CO 0.61 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 177.77 1iu4 n SER 191 N -4.76 0.00 0.00 -2.05 3.41 -0.90 -1.82 113.62 107.50 1iu4 n SER 191 Ca 0.22 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1iu4 n SER 191 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1iu4 n SER 191 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iu4 n ARG 192 N -0.80 0.65 -1.94 4.33 5.12 -0.60 -4.91 116.66 118.52 1iu4 n ARG 192 Ca 0.05 -0.16 -0.29 0.00 -1.93 0.00 0.00 57.85 55.52 1iu4 n ARG 192 Cb 0.02 -1.56 0.05 0.00 -1.16 0.00 0.00 32.46 29.82 1iu4 n ARG 192 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1iu4 s MET 193 N -3.50 2.67 -0.09 5.56 -1.94 -0.76 0.13 119.30 121.37 1iu4 s MET 193 Ca -0.07 0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 1iu4 s MET 193 Cb 0.13 -2.03 0.04 0.00 2.01 0.00 0.00 34.83 34.99 1iu4 s MET 193 CO 0.89 -1.13 0.22 0.21 -0.01 0.00 0.00 175.02 175.20 1iu4 s LYS 194 N -5.37 0.18 0.34 2.03 2.20 -0.29 -4.56 119.74 114.27 1iu4 s LYS 194 Ca 0.59 0.47 -0.17 0.00 -0.36 0.00 0.00 55.97 56.50 1iu4 s LYS 194 Cb -0.11 -0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.00 1iu4 s LYS 194 CO 0.50 -0.15 0.78 0.00 -0.36 0.00 0.00 175.35 176.12 1iu4 s ALA 195 N 1.15 3.27 -0.00 3.13 0.00 -1.26 -0.87 121.76 127.18 1iu4 s ALA 195 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1iu4 s ALA 195 Cb -0.10 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 1iu4 s ALA 195 CO -0.07 0.29 0.02 0.14 0.00 0.00 0.00 175.76 176.14 1iu4 s VAL 196 N -2.00 0.04 -0.07 0.00 -7.23 0.68 -4.81 120.40 107.02 1iu4 s VAL 196 Ca 0.55 -0.36 -0.01 0.00 -1.81 0.00 0.00 61.98 60.35 1iu4 s VAL 196 Cb -0.10 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 1iu4 s VAL 196 CO 0.17 -0.20 0.01 -0.63 -0.31 0.00 0.00 175.10 174.14 1iu4 s ILE 197 N -0.59 4.34 0.11 -0.62 1.01 0.10 -1.25 121.20 124.30 1iu4 s ILE 197 Ca -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1iu4 s ILE 197 Cb -0.04 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1iu4 s ILE 197 CO -0.00 0.57 -0.09 -0.72 0.00 0.00 0.00 174.94 174.69 1iu4 s TYR 198 N -0.92 1.06 0.18 3.97 1.13 -0.79 -0.93 117.35 121.04 1iu4 s TYR 198 Ca 0.14 -0.72 0.09 0.00 -1.41 0.00 0.00 57.07 55.17 1iu4 s TYR 198 Cb -0.11 -0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 1iu4 s TYR 198 CO 0.04 -0.01 -0.08 0.45 -2.51 0.00 0.00 175.55 173.44 1iu4 s SER 199 N -2.68 4.35 -0.17 -0.18 0.15 0.23 -0.65 113.70 114.75 1iu4 s SER 199 Ca 0.08 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1iu4 s SER 199 Cb -0.00 -0.77 0.03 0.00 -1.71 0.00 0.00 66.02 63.56 1iu4 s SER 199 CO -0.01 0.10 -0.12 -0.75 1.20 0.00 0.00 173.24 173.66 1iu4 s LYS 200 N -2.87 2.12 0.00 5.44 2.20 -0.96 -0.62 119.74 125.06 1iu4 s LYS 200 Ca 0.25 -0.67 -0.13 0.00 -0.36 0.00 0.00 55.97 55.06 1iu4 s LYS 200 Cb -0.09 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.95 1iu4 s LYS 200 CO 0.16 -0.33 0.38 -1.01 -0.36 0.00 0.00 175.35 174.19 1iu4 s HIS 201 N 1.46 3.69 0.01 4.03 3.76 -0.23 -1.39 115.29 126.62 1iu4 s HIS 201 Ca 0.02 0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 55.83 1iu4 s HIS 201 Cb -0.14 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1iu4 s HIS 201 CO -0.09 0.63 0.04 1.97 -0.85 0.00 0.00 174.74 176.43 1iu4 n PHE 202 N 1.65 -0.83 -4.99 1.40 -1.74 -0.77 -0.43 117.46 111.76 1iu4 n PHE 202 Ca -0.13 -0.07 -0.32 0.00 -0.56 0.00 0.00 57.45 56.37 1iu4 n PHE 202 Cb 0.53 0.03 -0.14 0.00 1.52 0.00 0.00 39.48 41.42 1iu4 n PHE 202 CO 0.00 0.00 0.00 -0.46 -0.56 0.00 0.00 176.76 175.74 1iu4 s TRP 203 N -7.24 2.63 -0.24 2.97 -0.11 -1.26 -0.91 118.94 114.78 1iu4 s TRP 203 Ca 0.01 -0.35 0.19 0.00 1.22 0.00 0.00 56.10 57.17 1iu4 s TRP 203 Cb -0.00 -1.64 0.08 0.00 -1.50 0.00 0.00 33.47 30.41 1iu4 s TRP 203 CO 0.00 0.04 1.27 0.66 -4.62 0.00 0.00 176.95 174.31 1iu4 h SER 204 N 5.66 0.00 -1.98 5.86 4.64 -1.91 -3.38 113.55 122.45 1iu4 h SER 204 Ca -0.41 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.12 1iu4 h SER 204 Cb 1.16 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 1iu4 h SER 204 CO 0.50 0.29 1.35 0.61 -0.87 0.00 0.00 176.83 178.71 1iu4 n GLY 205 N 1.22 5.90 1.42 -0.77 0.00 -1.26 -4.36 105.19 107.34 1iu4 n GLY 205 Ca -0.00 -2.45 0.06 0.00 0.00 0.00 0.00 46.02 43.63 1iu4 n GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iu4 n GLN 206 N 0.35 3.56 -3.60 1.61 6.02 -1.26 -4.26 117.38 119.78 1iu4 n GLN 206 Ca 0.51 -2.23 -0.39 0.00 -0.01 0.00 0.00 57.00 54.87 1iu4 n GLN 206 Cb 0.26 -1.94 -0.11 0.00 1.02 0.00 0.00 30.24 29.46 1iu4 n GLN 206 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1iu4 s ASP 207 N -0.65 5.74 0.56 1.08 -1.08 -1.26 -4.90 116.67 116.16 1iu4 s ASP 207 Ca 0.39 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 52.13 1iu4 s ASP 207 Cb 0.28 -2.05 1.63 0.00 -1.46 0.00 0.00 42.92 41.32 1iu4 s ASP 207 CO 0.14 -0.24 2.17 -0.09 0.52 0.00 0.00 175.17 177.66 1iu4 h ARG 208 N 8.41 0.00 0.00 4.34 2.43 -1.99 -0.22 114.38 127.36 1iu4 h ARG 208 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1iu4 h ARG 208 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1iu4 h ARG 208 CO 0.63 0.06 0.00 0.43 -1.51 0.00 0.00 179.97 179.58 1iu4 n SER 209 N -3.77 0.00 -4.86 -3.80 7.64 -1.26 -4.89 113.62 102.68 1iu4 n SER 209 Ca -0.02 -0.34 -0.21 0.00 1.01 0.00 0.00 58.87 59.31 1iu4 n SER 209 Cb 0.16 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1iu4 n SER 209 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iu4 s SER 210 N -2.30 5.60 1.12 6.43 1.04 -0.09 -5.07 113.70 120.42 1iu4 s SER 210 Ca 0.26 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.30 1iu4 s SER 210 Cb 0.15 -1.34 0.26 0.00 0.10 0.00 0.00 66.02 65.19 1iu4 s SER 210 CO 0.29 -0.15 1.05 -0.55 0.98 0.00 0.00 173.24 174.86 1iu4 s SER 211 N -3.92 1.30 0.18 7.02 0.15 -1.26 -4.83 113.70 112.35 1iu4 s SER 211 Ca 0.36 1.57 -0.02 0.00 0.70 0.00 0.00 55.95 58.56 1iu4 s SER 211 Cb -0.08 -2.31 0.09 0.00 -1.71 0.00 0.00 66.02 62.02 1iu4 s SER 211 CO 0.26 -4.01 1.47 0.00 1.20 0.00 0.00 173.24 172.16 1iu4 h ALA 212 N -2.49 0.64 0.00 5.45 0.00 -1.97 -1.40 119.26 119.49 1iu4 h ALA 212 Ca -0.59 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1iu4 h ALA 212 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1iu4 h ALA 212 CO 0.50 0.73 0.00 0.38 0.00 0.00 0.00 179.25 180.86 1iu4 h ASP 213 N 0.33 0.00 0.45 0.00 2.03 -1.97 0.16 116.42 117.42 1iu4 h ASP 213 Ca -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.26 1iu4 h ASP 213 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1iu4 h ASP 213 CO 0.12 0.00 -0.22 0.11 -1.03 0.00 0.00 179.24 178.22 1iu4 h LYS 214 N 0.00 -0.58 -0.76 4.15 1.57 -1.76 -1.03 116.57 118.16 1iu4 h LYS 214 Ca 0.00 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1iu4 h LYS 214 Cb 0.75 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.11 1iu4 h LYS 214 CO 0.00 -0.29 0.36 0.00 -0.57 0.00 0.00 179.45 178.95 1iu4 h ARG 215 N -0.85 0.55 0.00 3.15 2.47 -1.13 0.57 114.38 119.13 1iu4 h ARG 215 Ca -0.06 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 1iu4 h ARG 215 Cb 0.57 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1iu4 h ARG 215 CO 0.10 0.36 -0.88 0.87 0.56 0.00 0.00 179.97 180.99 1iu4 h LYS 216 N 0.56 0.00 0.00 0.04 1.57 -0.79 -2.76 116.57 115.19 1iu4 h LYS 216 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1iu4 h LYS 216 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1iu4 h LYS 216 CO -0.33 0.29 -0.83 0.66 -0.57 0.00 0.00 179.45 178.67 1iu4 n TYR 217 N -3.00 0.00 0.00 -1.35 4.02 -0.40 -4.79 117.16 111.63 1iu4 n TYR 217 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1iu4 n TYR 217 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 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 2.13 3.58 3.23 2.72 0.00 0.18 -4.33 105.19 112.70 1iu4 n GLY 218 Ca 0.00 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 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 4.62 0.53 1.61 2.15 -1.26 -4.42 116.67 119.90 1iu4 s ASP 219 Ca 0.00 -0.92 0.33 0.00 0.43 0.00 0.00 52.55 52.39 1iu4 s ASP 219 Cb 0.00 -1.72 1.34 0.00 -0.30 0.00 0.00 42.92 42.24 1iu4 s ASP 219 CO 0.00 -0.17 1.97 1.55 -0.17 0.00 0.00 175.17 178.35 1iu4 h PRO 220 N 8.06 0.00 -0.02 4.34 0.13 -1.88 -1.60 132.00 141.03 1iu4 h PRO 220 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1iu4 h PRO 220 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1iu4 h PRO 220 CO 0.57 0.00 -0.06 -0.25 -0.23 0.00 0.00 178.00 178.03 1iu4 n ASP 221 N -3.04 1.83 -4.89 1.44 8.00 -1.26 -4.88 116.55 113.75 1iu4 n ASP 221 Ca 0.01 -1.54 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 1iu4 n ASP 221 Cb 0.30 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.09 3.78 -1.84 2.24 0.00 -0.60 -4.32 121.76 118.93 1iu4 s ALA 222 Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1iu4 s ALA 222 Cb 0.20 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1iu4 s ALA 222 CO 0.36 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.95 1iu4 n PHE 223 N 0.53 -0.80 -2.51 0.00 3.01 -1.26 -4.97 117.46 111.45 1iu4 n PHE 223 Ca -0.06 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.01 1iu4 n PHE 223 Cb 0.52 -3.85 -0.04 0.00 -0.01 0.00 0.00 39.48 36.10 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 -4.80 4.48 0.45 -1.08 1.81 -1.26 -4.91 118.95 113.63 1iu4 s ARG 224 Ca 0.00 1.68 -0.24 0.00 -1.72 0.00 0.00 55.73 55.46 1iu4 s ARG 224 Cb 0.00 -2.96 -0.08 0.00 -0.45 0.00 0.00 34.95 31.46 1iu4 s ARG 224 CO 0.00 0.10 1.18 -1.25 -0.68 0.00 0.00 175.30 174.65 1iu4 s PRO 225 N -1.81 3.81 0.59 3.54 0.04 -1.26 -4.58 135.00 135.34 1iu4 s PRO 225 Ca 0.49 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 1iu4 s PRO 225 Cb -0.28 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1iu4 s PRO 225 CO 0.36 -0.52 0.93 0.00 0.04 0.00 0.00 177.00 177.81 1iu4 s ALA 226 N -1.49 3.21 0.00 8.56 0.00 -0.09 -4.90 121.76 127.05 1iu4 s ALA 226 Ca 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1iu4 s ALA 226 Cb -0.30 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1iu4 s ALA 226 CO 0.37 -0.74 0.00 -2.30 0.00 0.00 0.00 175.76 173.09 1iu4 n PRO 227 N -2.62 0.00 0.05 0.00 -0.02 -1.26 -1.98 135.00 129.17 1iu4 n PRO 227 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1iu4 n PRO 227 Cb 0.56 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.96 1iu4 n PRO 227 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1iu4 h GLY 228 N 0.00 0.00 0.63 -1.23 0.00 -1.98 -3.38 103.07 97.11 1iu4 h GLY 228 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1iu4 h GLY 228 CO 0.00 0.00 0.57 -0.91 0.00 0.00 0.00 176.54 176.20 1iu4 h THR 229 N 0.00 1.00 0.00 4.70 1.35 -1.88 -3.43 112.91 114.64 1iu4 h THR 229 Ca -0.13 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1iu4 h THR 229 Cb 1.70 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1iu4 h THR 229 CO 0.08 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1iu4 n GLY 230 N -1.34 2.25 3.74 5.82 0.00 -0.84 -4.92 105.19 109.90 1iu4 n GLY 230 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1iu4 n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iu4 s LEU 231 N 0.00 4.37 -0.12 0.99 1.43 -1.26 -1.46 118.68 122.63 1iu4 s LEU 231 Ca 0.00 2.74 -0.02 0.00 -1.03 0.00 0.00 54.13 55.82 1iu4 s LEU 231 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1iu4 s LEU 231 CO 0.00 -0.79 -0.04 0.54 0.23 0.00 0.00 176.35 176.29 1iu4 s VAL 232 N 0.27 3.95 -0.72 -1.59 0.11 0.88 -0.91 120.40 122.38 1iu4 s VAL 232 Ca 0.63 -0.36 -0.27 0.00 -2.93 0.00 0.00 61.98 59.05 1iu4 s VAL 232 Cb -0.44 -2.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 1iu4 s VAL 232 CO 0.42 0.54 1.28 -0.62 -3.33 0.00 0.00 175.10 173.38 1iu4 s ASP 233 N -0.14 6.18 0.12 3.54 3.68 -1.26 -4.31 116.67 124.47 1iu4 s ASP 233 Ca 0.03 -0.38 0.22 0.00 2.13 0.00 0.00 52.55 54.55 1iu4 s ASP 233 Cb -0.13 -2.56 0.88 0.00 -1.45 0.00 0.00 42.92 39.66 1iu4 s ASP 233 CO 0.02 -1.81 1.68 0.23 0.13 0.00 0.00 175.17 175.43 1iu4 n MET 234 N 9.28 0.11 -0.26 4.34 2.81 -1.26 -4.45 117.12 127.68 1iu4 n MET 234 Ca 0.04 0.25 0.32 0.00 -1.81 0.00 0.00 57.70 56.50 1iu4 n MET 234 Cb 0.49 -1.67 0.74 0.00 -0.71 0.00 0.00 33.22 32.07 1iu4 n MET 234 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1iu4 h SER 235 N 0.00 0.00 -0.55 7.83 4.64 -1.88 -1.61 113.55 121.98 1iu4 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iu4 h SER 235 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1iu4 h SER 235 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1iu4 n ARG 236 N -4.21 2.40 -2.48 4.77 3.00 -1.26 -4.83 116.66 114.05 1iu4 n ARG 236 Ca 0.23 -2.16 -0.43 0.00 -0.01 0.00 0.00 57.85 55.48 1iu4 n ARG 236 Cb 1.13 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 32.09 1iu4 n ARG 236 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1iu4 s ASP 237 N -1.13 6.98 -0.06 0.55 3.68 -0.61 -4.91 116.67 121.16 1iu4 s ASP 237 Ca 0.40 1.61 0.15 0.00 2.13 0.00 0.00 52.55 56.85 1iu4 s ASP 237 Cb 0.22 -2.54 0.50 0.00 -1.45 0.00 0.00 42.92 39.65 1iu4 s ASP 237 CO 0.29 -0.74 1.42 0.54 0.13 0.00 0.00 175.17 176.81 1iu4 n ARG 238 N 6.55 3.09 -4.12 4.34 5.12 -1.26 -4.96 116.66 125.42 1iu4 n ARG 238 Ca 0.13 -2.50 -0.37 0.00 -1.93 0.00 0.00 57.85 53.19 1iu4 n ARG 238 Cb 0.45 -1.58 -0.07 0.00 -1.16 0.00 0.00 32.46 30.11 1iu4 n ARG 238 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1iu4 n ASN 239 N 0.66 -1.54 -4.85 0.55 3.02 -1.26 -4.99 115.26 106.85 1iu4 n ASN 239 Ca 0.19 -1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 53.31 1iu4 n ASN 239 Cb 0.66 -1.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 1iu4 n ASN 239 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1iu4 s ILE 240 N -2.95 4.93 0.72 2.41 -4.36 -1.26 -4.85 121.20 115.83 1iu4 s ILE 240 Ca 0.71 0.71 -0.06 0.00 -0.26 0.00 0.00 60.65 61.76 1iu4 s ILE 240 Cb -0.42 -3.71 0.09 0.00 1.25 0.00 0.00 42.46 39.68 1iu4 s ILE 240 CO 0.89 0.25 1.02 -2.16 0.24 0.00 0.00 174.94 175.18 1iu4 s PRO 241 N -1.95 1.94 0.22 0.37 0.04 -1.26 -4.58 135.00 129.77 1iu4 s PRO 241 Ca 0.36 -0.52 -0.32 0.00 0.04 0.00 0.00 61.00 60.56 1iu4 s PRO 241 Cb -0.15 -2.20 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 1iu4 s PRO 241 CO 0.19 -1.36 1.44 -2.13 0.04 0.00 0.00 177.00 175.18 1iu4 n ARG 242 N -2.93 2.03 -2.62 4.56 0.63 -1.26 -4.90 116.66 112.16 1iu4 n ARG 242 Ca 0.10 0.72 -0.41 0.00 -0.92 0.00 0.00 57.85 57.35 1iu4 n ARG 242 Cb 0.60 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 31.06 1iu4 n ARG 242 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1iu4 s SER 243 N 0.43 7.41 0.36 6.15 0.15 -1.04 -4.52 113.70 122.63 1iu4 s SER 243 Ca 0.71 1.97 -0.27 0.00 0.70 0.00 0.00 55.95 59.06 1iu4 s SER 243 Cb -0.67 -2.60 -0.12 0.00 -1.71 0.00 0.00 66.02 60.92 1iu4 s SER 243 CO 0.47 -0.11 1.13 -2.65 1.20 0.00 0.00 173.24 173.29 1iu4 n PRO 244 N 2.34 1.68 0.00 5.44 -0.02 -1.26 -4.45 135.00 138.72 1iu4 n PRO 244 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1iu4 n PRO 244 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1iu4 n PRO 244 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1iu4 n THR 245 N 0.02 0.00 -2.45 3.45 -1.04 -1.26 -4.95 114.28 108.05 1iu4 n THR 245 Ca 0.07 0.39 -0.31 0.00 -2.04 0.00 0.00 64.05 62.16 1iu4 n THR 245 Cb 0.36 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1iu4 n THR 245 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1iu4 s SER 246 N -2.95 6.53 -0.65 8.00 1.04 -1.26 -4.98 113.70 119.42 1iu4 s SER 246 Ca 0.00 1.41 -0.26 0.00 0.48 0.00 0.00 55.95 57.58 1iu4 s SER 246 Cb 0.00 -2.45 -0.23 0.00 0.10 0.00 0.00 66.02 63.44 1iu4 s SER 246 CO 0.00 -0.58 1.85 -2.65 0.98 0.00 0.00 173.24 172.85 1iu4 n PRO 247 N -1.69 0.80 0.00 4.02 -0.02 -1.26 -1.40 135.00 135.45 1iu4 n PRO 247 Ca 0.05 -1.67 0.00 0.00 -2.02 0.00 0.00 63.50 59.86 1iu4 n PRO 247 Cb 0.54 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.91 1iu4 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iu4 n GLY 248 N 5.19 0.87 3.23 -1.23 0.00 -1.26 -5.09 105.19 106.89 1iu4 n GLY 248 Ca 0.46 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 1iu4 n GLY 248 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iu4 n GLU 249 N 0.00 0.00 -3.33 1.61 1.02 -0.49 -4.87 120.64 114.57 1iu4 n GLU 249 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1iu4 n GLU 249 Cb 0.00 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 1iu4 n GLU 249 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1iu4 s GLY 250 N 0.00 1.87 -0.31 0.62 0.00 -1.26 -4.48 107.32 103.76 1iu4 s GLY 250 Ca 0.87 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 1iu4 s GLY 250 CO 0.38 1.12 0.28 -1.36 0.00 0.00 0.00 173.10 173.51 1iu4 s PHE 251 N 2.17 3.22 0.82 1.90 0.40 -1.26 -5.02 117.98 120.21 1iu4 s PHE 251 Ca 0.14 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 1iu4 s PHE 251 Cb -0.16 -2.52 0.09 0.00 0.51 0.00 0.00 43.02 40.94 1iu4 s PHE 251 CO 0.13 -0.28 1.14 0.14 0.70 0.00 0.00 175.22 177.04 1iu4 s VAL 252 N 1.89 2.54 -0.03 -0.44 -7.23 -1.26 -4.63 120.40 111.23 1iu4 s VAL 252 Ca 0.10 0.20 0.13 0.00 -1.81 0.00 0.00 61.98 60.60 1iu4 s VAL 252 Cb -0.16 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1iu4 s VAL 252 CO 0.11 -0.21 1.44 -0.55 -0.31 0.00 0.00 175.10 175.58 1iu4 h ASN 253 N -1.24 0.00 -5.24 4.85 -1.07 -1.90 -3.40 115.58 107.58 1iu4 h ASN 253 Ca -0.44 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.85 1iu4 h ASN 253 Cb 1.26 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.44 1iu4 h ASN 253 CO 0.47 0.62 -0.05 0.72 0.07 0.00 0.00 177.43 179.26 1iu4 s PHE 254 N -2.99 0.41 0.05 4.14 -0.12 -1.26 -4.34 117.98 113.86 1iu4 s PHE 254 Ca 0.03 -0.80 0.03 0.00 -0.05 0.00 0.00 56.93 56.14 1iu4 s PHE 254 Cb 0.09 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1iu4 s PHE 254 CO 0.76 -1.12 -0.09 0.34 -0.05 0.00 0.00 175.22 175.06 1iu4 s ASP 255 N -3.06 0.99 0.00 1.98 3.68 0.42 -4.97 116.67 115.71 1iu4 s ASP 255 Ca 0.22 -0.56 0.05 0.00 2.13 0.00 0.00 52.55 54.39 1iu4 s ASP 255 Cb -0.02 0.02 -0.02 0.00 -1.45 0.00 0.00 42.92 41.46 1iu4 s ASP 255 CO 0.11 -0.18 -0.16 -0.31 0.13 0.00 0.00 175.17 174.75 1iu4 s TYR 256 N -1.36 1.47 -0.07 -5.34 1.51 -1.26 -1.07 117.35 111.22 1iu4 s TYR 256 Ca -0.09 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1iu4 s TYR 256 Cb -0.10 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1iu4 s TYR 256 CO 0.01 -0.00 0.05 0.20 -1.11 0.00 0.00 175.55 174.70 1iu4 s GLY 257 N -0.59 0.29 -0.08 0.71 0.00 0.21 -4.54 107.32 103.32 1iu4 s GLY 257 Ca 0.06 0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 1iu4 s GLY 257 CO -0.00 1.40 0.60 0.86 0.00 0.00 0.00 173.10 175.96 1iu4 s TRP 258 N 2.12 3.57 -0.24 1.90 -0.11 -0.75 -0.60 118.94 124.83 1iu4 s TRP 258 Ca 0.04 1.10 -0.10 0.00 1.22 0.00 0.00 56.10 58.37 1iu4 s TRP 258 Cb -0.13 -2.68 -0.11 0.00 -1.50 0.00 0.00 33.47 29.05 1iu4 s TRP 258 CO -0.04 0.15 -0.30 0.34 -4.62 0.00 0.00 176.95 172.48 1iu4 n PHE 259 N 3.59 0.00 0.00 5.86 -0.00 -0.89 -0.34 117.46 125.68 1iu4 n PHE 259 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 1iu4 n PHE 259 Cb 0.51 -0.87 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 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 1.62 1.64 1.77 7.13 0.00 -0.11 -4.29 105.19 112.96 1iu4 n GLY 260 Ca -0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 2.53 -1.15 -1.77 4.61 0.00 -1.26 -0.72 120.51 122.75 1iu4 n ALA 261 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1iu4 n ALA 261 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 0.03 4.14 0.32 0.00 -0.21 -1.25 -4.38 119.66 118.31 1iu4 s GLN 262 Ca 0.02 2.56 0.09 0.00 0.02 0.00 0.00 55.36 58.05 1iu4 s GLN 262 Cb 0.08 -3.07 0.96 0.00 1.00 0.00 0.00 33.01 31.98 1iu4 s GLN 262 CO -0.02 -0.69 1.63 1.15 -2.12 0.00 0.00 175.29 175.23 1iu4 h THR 263 N 3.71 0.20 -0.65 -0.19 2.02 -1.68 -3.46 112.91 112.86 1iu4 h THR 263 Ca -0.44 -0.06 -0.81 0.00 0.77 0.00 0.00 66.41 65.87 1iu4 h THR 263 Cb 1.21 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1iu4 h THR 263 CO 0.90 0.03 0.86 1.21 0.37 0.00 0.00 175.52 178.89 1iu4 n GLU 264 N -5.23 0.00 -0.26 6.66 4.07 -1.26 -4.83 120.64 119.80 1iu4 n GLU 264 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1iu4 n GLU 264 Cb 0.91 -1.44 0.07 0.00 -0.06 0.00 0.00 31.44 30.92 1iu4 n GLU 264 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iu4 h ALA 265 N 6.06 0.39 -1.68 4.31 0.00 -2.00 -3.42 119.26 122.93 1iu4 h ALA 265 Ca -0.32 0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.25 1iu4 h ALA 265 Cb 1.33 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 19.63 1iu4 h ALA 265 CO 0.98 -0.46 0.60 -0.51 0.00 0.00 0.00 179.25 179.85 1iu4 s ASP 266 N -5.23 6.22 0.26 0.00 -0.00 -1.26 -4.94 116.67 111.73 1iu4 s ASP 266 Ca -0.14 -0.73 -0.01 0.00 -0.00 0.00 0.00 52.55 51.67 1iu4 s ASP 266 Cb 0.21 -2.44 0.56 0.00 -0.00 0.00 0.00 42.92 41.25 1iu4 s ASP 266 CO 0.74 -1.41 1.71 0.00 -0.00 0.00 0.00 175.17 176.21 1iu4 h ALA 267 N 9.53 1.20 -0.97 5.23 0.00 -1.99 0.19 119.26 132.45 1iu4 h ALA 267 Ca -0.28 0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.08 1iu4 h ALA 267 Cb 1.07 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 1iu4 h ALA 267 CO 1.16 -0.26 0.33 -0.44 0.00 0.00 0.00 179.25 180.04 1iu4 h ASP 268 N 0.43 0.06 -0.02 0.00 3.45 -1.96 -1.41 116.42 116.96 1iu4 h ASP 268 Ca 0.47 0.24 0.00 0.00 0.43 0.00 0.00 57.03 58.17 1iu4 h ASP 268 Cb 0.80 0.30 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1iu4 h ASP 268 CO -0.46 -0.29 0.00 0.29 -1.57 0.00 0.00 179.24 177.21 1iu4 n LYS 269 N -5.28 1.23 -2.84 3.56 5.02 0.66 -3.53 118.16 116.99 1iu4 n LYS 269 Ca 0.29 -0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 55.87 1iu4 n LYS 269 Cb 0.94 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 1iu4 n LYS 269 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iu4 s THR 270 N -1.98 4.27 -0.12 -0.18 -4.23 -0.53 -4.85 115.64 108.02 1iu4 s THR 270 Ca 0.40 1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 62.55 1iu4 s THR 270 Cb 0.20 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1iu4 s THR 270 CO 0.32 0.14 0.18 0.68 -0.54 0.00 0.00 174.62 175.41 1iu4 s VAL 271 N -1.61 5.42 -0.14 2.29 -7.23 -1.26 0.73 120.40 118.60 1iu4 s VAL 271 Ca 0.49 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.97 1iu4 s VAL 271 Cb -0.18 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.31 1iu4 s VAL 271 CO 0.23 0.56 -0.14 0.26 -0.31 0.00 0.00 175.10 175.70 1iu4 s TRP 272 N -0.64 2.12 -0.14 2.82 0.52 0.59 -4.44 118.94 119.77 1iu4 s TRP 272 Ca 0.15 -1.15 -0.02 0.00 0.02 0.00 0.00 56.10 55.10 1iu4 s TRP 272 Cb -0.12 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 1iu4 s TRP 272 CO 0.04 -0.62 -0.08 0.99 0.02 0.00 0.00 176.95 177.30 1iu4 s THR 273 N 1.37 3.56 -0.10 2.01 2.01 0.54 -0.45 115.64 124.58 1iu4 s THR 273 Ca 0.02 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 1iu4 s THR 273 Cb -0.13 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 69.89 1iu4 s THR 273 CO -0.09 0.51 0.44 -1.38 -0.69 0.00 0.00 174.62 173.42 1iu4 s HIS 274 N 0.30 -0.42 0.68 4.92 -3.43 0.79 -1.81 115.29 116.33 1iu4 s HIS 274 Ca -0.06 0.89 -0.17 0.00 -0.80 0.00 0.00 55.06 54.92 1iu4 s HIS 274 Cb -0.15 0.18 0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1iu4 s HIS 274 CO 0.04 -0.35 1.20 0.41 -2.00 0.00 0.00 174.74 174.04 1iu4 n GLY 275 N 2.02 0.23 0.24 -1.38 0.00 -1.21 -0.96 105.19 104.11 1iu4 n GLY 275 Ca -0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 1iu4 n GLY 275 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1iu4 h ASN 276 N 0.15 0.96 -2.42 1.61 -1.07 -1.53 -3.28 115.58 109.99 1iu4 h ASN 276 Ca -0.49 -0.57 0.11 0.00 0.07 0.00 0.00 56.30 55.42 1iu4 h ASN 276 Cb 1.33 -0.28 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 1iu4 h ASN 276 CO 0.51 1.37 0.48 0.00 0.07 0.00 0.00 177.43 179.85 1iu4 n HIS 277 N -3.97 -1.46 -1.27 4.14 1.44 -1.26 -4.61 115.22 108.23 1iu4 n HIS 277 Ca -0.06 -1.24 -0.32 0.00 -2.01 0.00 0.00 57.72 54.09 1iu4 n HIS 277 Cb 0.69 0.61 0.10 0.00 0.12 0.00 0.00 29.99 31.51 1iu4 n HIS 277 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1iu4 s TYR 278 N -2.59 2.18 -0.14 -1.40 -0.85 -1.22 -4.20 117.35 109.13 1iu4 s TYR 278 Ca 0.19 1.63 -0.25 0.00 -0.52 0.00 0.00 57.07 58.12 1iu4 s TYR 278 Cb -0.03 -3.28 -0.02 0.00 0.38 0.00 0.00 41.96 39.01 1iu4 s TYR 278 CO 0.06 -2.29 0.82 -1.58 -1.52 0.00 0.00 175.55 171.05 1iu4 s HIS 279 N -2.44 3.46 -0.36 -3.49 5.65 0.63 -4.18 115.29 114.57 1iu4 s HIS 279 Ca 0.68 1.29 0.06 0.00 0.25 0.00 0.00 55.06 57.34 1iu4 s HIS 279 Cb -0.23 -2.99 0.18 0.00 -1.18 0.00 0.00 32.58 28.36 1iu4 s HIS 279 CO 0.50 -0.17 0.56 0.00 -0.65 0.00 0.00 174.74 174.98 1iu4 s ALA 280 N 1.85 -2.01 0.18 1.58 0.00 -1.14 -0.47 121.76 121.74 1iu4 s ALA 280 Ca 0.39 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 1iu4 s ALA 280 Cb -0.17 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.55 1iu4 s ALA 280 CO 0.14 -2.05 1.65 -1.35 0.00 0.00 0.00 175.76 174.15 1iu4 h PRO 281 N 7.41 -0.05 -0.15 0.00 0.11 -1.88 -1.71 132.00 135.74 1iu4 h PRO 281 Ca 0.02 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1iu4 h PRO 281 Cb 1.16 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1iu4 h PRO 281 CO 0.14 -0.03 0.04 0.27 -0.21 0.00 0.00 178.00 178.21 1iu4 n ASN 282 N -5.36 0.01 -4.88 -2.05 6.94 -1.26 -4.21 115.26 104.46 1iu4 n ASN 282 Ca 0.03 0.25 -0.21 0.00 -0.02 0.00 0.00 54.58 54.63 1iu4 n ASN 282 Cb 0.27 -0.10 0.08 0.00 -2.36 0.00 0.00 39.78 37.67 1iu4 n ASN 282 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iu4 n GLY 283 N -1.06 1.64 0.32 4.83 0.00 -0.67 -4.73 105.19 105.52 1iu4 n GLY 283 Ca 0.04 -2.18 0.21 0.00 0.00 0.00 0.00 46.02 44.09 1iu4 n GLY 283 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iu4 h SER 284 N -0.07 0.00 0.31 1.61 0.02 -1.87 -2.81 113.55 110.73 1iu4 h SER 284 Ca -0.29 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.33 1iu4 h SER 284 Cb 1.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1iu4 h SER 284 CO 0.38 0.01 -1.81 -0.07 -1.14 0.00 0.00 176.83 174.20 1iu4 h LEU 285 N 0.00 0.28 0.00 5.07 3.38 -1.93 -3.51 115.31 118.59 1iu4 h LEU 285 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1iu4 h LEU 285 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iu4 h LEU 285 CO 0.00 1.50 0.00 0.61 0.09 0.00 0.00 178.44 180.64 1iu4 n GLY 286 N 1.79 0.42 3.75 0.83 0.00 -1.06 -4.93 105.19 105.98 1iu4 n GLY 286 Ca -0.24 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.14 2.51 0.09 4.61 0.00 -1.25 -2.89 121.76 123.69 1iu4 s ALA 287 Ca 0.00 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 1iu4 s ALA 287 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1iu4 s ALA 287 CO 0.00 -1.26 1.43 1.41 0.00 0.00 0.00 175.76 177.34 1iu4 s MET 288 N -3.35 4.30 -0.08 0.00 1.75 -1.26 -4.90 119.30 115.76 1iu4 s MET 288 Ca 0.79 2.10 -0.03 0.00 -1.25 0.00 0.00 55.69 57.29 1iu4 s MET 288 Cb -0.32 -3.33 -0.04 0.00 2.84 0.00 0.00 34.83 33.98 1iu4 s MET 288 CO 0.35 -0.50 0.05 -1.01 -0.65 0.00 0.00 175.02 173.26 1iu4 s HIS 289 N 1.49 3.30 -0.20 4.11 3.76 -1.26 0.15 115.29 126.63 1iu4 s HIS 289 Ca 0.66 0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 55.75 1iu4 s HIS 289 Cb -0.37 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 1iu4 s HIS 289 CO 0.30 0.56 0.15 0.14 -0.85 0.00 0.00 174.74 175.04 1iu4 s VAL 290 N -0.98 5.39 -0.19 -0.90 -7.23 0.53 -1.42 120.40 115.60 1iu4 s VAL 290 Ca 0.15 0.23 -0.09 0.00 -1.81 0.00 0.00 61.98 60.47 1iu4 s VAL 290 Cb -0.12 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 1iu4 s VAL 290 CO 0.05 0.43 0.11 -0.31 -0.31 0.00 0.00 175.10 175.07 1iu4 s TYR 291 N 0.42 3.37 -0.39 2.82 1.51 -0.14 -1.96 117.35 122.98 1iu4 s TYR 291 Ca 0.09 0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.32 1iu4 s TYR 291 Cb -0.11 -2.13 0.06 0.00 -0.11 0.00 0.00 41.96 39.66 1iu4 s TYR 291 CO -0.01 0.26 0.22 -1.21 -1.11 0.00 0.00 175.55 173.70 1iu4 s GLU 292 N 0.34 2.66 0.11 -0.62 2.02 0.32 -0.15 118.70 123.37 1iu4 s GLU 292 Ca 0.07 -1.32 0.10 0.00 0.02 0.00 0.00 54.97 53.84 1iu4 s GLU 292 Cb -0.11 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 1iu4 s GLU 292 CO -0.01 -0.84 -0.23 -1.12 0.02 0.00 0.00 175.26 173.08 1iu4 s SER 293 N 1.85 3.56 0.67 -0.19 0.01 0.40 -2.36 113.70 117.65 1iu4 s SER 293 Ca 0.02 -0.63 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 1iu4 s SER 293 Cb -0.21 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.63 1iu4 s SER 293 CO 0.03 0.20 1.16 -0.54 0.41 0.00 0.00 173.24 174.50 1iu4 s LYS 294 N -1.92 2.59 0.42 12.44 1.02 -0.86 -0.30 119.74 133.13 1iu4 s LYS 294 Ca 0.15 1.61 0.25 0.00 0.02 0.00 0.00 55.97 58.00 1iu4 s LYS 294 Cb -0.10 -1.90 1.29 0.00 -0.52 0.00 0.00 37.83 36.59 1iu4 s LYS 294 CO 0.07 -1.45 1.69 0.35 -0.92 0.00 0.00 175.35 175.09 1iu4 h PHE 295 N 0.09 0.56 -0.13 3.18 3.04 0.27 -1.95 116.94 122.00 1iu4 h PHE 295 Ca -0.48 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.54 1iu4 h PHE 295 Cb 1.27 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.57 1iu4 h PHE 295 CO 0.50 -0.09 -0.40 0.00 -2.02 0.00 0.00 178.31 176.31 1iu4 h ARG 296 N 0.21 -0.46 -0.74 1.11 3.08 -1.86 0.16 114.38 115.89 1iu4 h ARG 296 Ca 0.71 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.80 1iu4 h ARG 296 Cb 2.10 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 32.22 1iu4 h ARG 296 CO -0.35 -0.30 0.46 -0.91 -1.07 0.00 0.00 179.97 177.79 1iu4 h ASN 297 N -0.47 0.88 -0.17 7.04 4.21 -1.73 -0.54 115.58 124.79 1iu4 h ASN 297 Ca 0.08 -0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.58 1iu4 h ASN 297 Cb 0.61 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.55 1iu4 h ASN 297 CO -0.39 0.67 -0.07 -0.25 -1.29 0.00 0.00 177.43 176.10 1iu4 h TRP 298 N 1.01 -0.15 -0.00 1.19 2.91 -1.25 -3.05 115.95 116.60 1iu4 h TRP 298 Ca 0.27 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.30 1iu4 h TRP 298 Cb -0.06 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1iu4 h TRP 298 CO -0.01 -0.11 -0.18 -1.13 -1.03 0.00 0.00 178.44 175.98 1iu4 n SER 299 N -5.21 0.30 -0.13 2.65 3.41 0.53 -2.93 113.62 112.24 1iu4 n SER 299 Ca -0.03 -0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.45 1iu4 n SER 299 Cb 0.14 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.19 0.34 0.00 4.33 4.57 -1.01 -3.48 114.58 119.52 1iu4 h GLU 300 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1iu4 h GLU 300 Cb 0.45 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1iu4 h GLU 300 CO 0.00 0.22 0.00 0.41 -1.18 0.00 0.00 179.01 178.46 1iu4 n GLY 301 N -1.23 -1.74 3.29 1.92 0.00 -1.15 -4.95 105.19 101.32 1iu4 n GLY 301 Ca 0.03 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 1.40 -1.04 1.61 1.51 -1.26 -5.02 117.35 114.55 1iu4 s TYR 302 Ca 0.00 -1.02 0.12 0.00 -1.01 0.00 0.00 57.07 55.15 1iu4 s TYR 302 Cb 0.00 -0.81 0.50 0.00 -0.11 0.00 0.00 41.96 41.54 1iu4 s TYR 302 CO 0.00 -0.18 1.36 -1.13 -1.11 0.00 0.00 175.55 174.49 1iu4 n SER 303 N -0.35 0.00 0.18 2.29 3.41 -1.26 -1.44 113.62 116.45 1iu4 n SER 303 Ca -0.05 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 59.06 1iu4 n SER 303 Cb 0.64 -0.48 0.34 0.00 -0.26 0.00 0.00 64.21 64.45 1iu4 n SER 303 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1iu4 h ASP 304 N 0.00 0.00 -3.52 4.04 3.45 -1.95 -3.46 116.42 114.98 1iu4 h ASP 304 Ca 0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1iu4 h ASP 304 Cb 0.19 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 38.68 1iu4 h ASP 304 CO 0.00 0.40 -0.80 -0.36 -1.57 0.00 0.00 179.24 176.91 1iu4 s PHE 305 N -4.06 2.70 -0.60 4.55 2.99 -0.52 -4.47 117.98 118.57 1iu4 s PHE 305 Ca -0.02 -0.65 0.07 0.00 0.00 0.00 0.00 56.93 56.33 1iu4 s PHE 305 Cb 0.14 -1.75 0.21 0.00 0.00 0.00 0.00 43.02 41.62 1iu4 s PHE 305 CO 0.72 -0.19 1.18 -0.40 -0.00 0.00 0.00 175.22 176.53 1iu4 n ASP 306 N 3.26 2.65 -3.82 1.36 5.75 -0.09 -4.73 116.55 120.92 1iu4 n ASP 306 Ca -0.18 -2.04 -0.12 0.00 -0.01 0.00 0.00 54.79 52.44 1iu4 n ASP 306 Cb 0.53 -0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 40.34 1iu4 n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1iu4 s ARG 307 N -1.07 0.37 -0.22 0.11 6.06 -1.02 -4.55 118.95 118.64 1iu4 s ARG 307 Ca 0.16 -0.02 -0.13 0.00 -2.50 0.00 0.00 55.73 53.24 1iu4 s ARG 307 Cb 0.09 0.16 0.07 0.00 0.06 0.00 0.00 34.95 35.33 1iu4 s ARG 307 CO 0.10 -0.08 0.54 0.20 -2.50 0.00 0.00 175.30 173.57 1iu4 s GLY 308 N -0.59 -0.46 -0.01 8.12 0.00 -1.26 -1.84 107.32 111.28 1iu4 s GLY 308 Ca -0.07 1.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.50 1iu4 s GLY 308 CO 0.01 1.91 0.07 0.00 0.00 0.00 0.00 173.10 175.09 1iu4 s ALA 309 N 1.34 -0.15 -0.30 3.20 0.00 -0.49 -4.77 121.76 120.60 1iu4 s ALA 309 Ca -0.08 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1iu4 s ALA 309 Cb -0.06 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1iu4 s ALA 309 CO -0.14 -0.09 -0.03 0.71 0.00 0.00 0.00 175.76 176.22 1iu4 s TYR 310 N -0.49 3.41 0.11 0.00 1.51 -0.19 -2.25 117.35 119.44 1iu4 s TYR 310 Ca -0.06 -2.41 0.03 0.00 -1.01 0.00 0.00 57.07 53.63 1iu4 s TYR 310 Cb -0.04 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1iu4 s TYR 310 CO 0.00 -0.89 0.13 0.54 -1.11 0.00 0.00 175.55 174.22 1iu4 s VAL 311 N 1.09 4.68 -0.10 0.71 0.11 0.18 -1.67 120.40 125.39 1iu4 s VAL 311 Ca -0.02 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1iu4 s VAL 311 Cb -0.20 -3.31 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 1iu4 s VAL 311 CO -0.05 0.04 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.99 1iu4 s ILE 312 N -1.54 3.00 0.00 7.04 1.01 -0.71 -1.89 121.20 128.12 1iu4 s ILE 312 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1iu4 s ILE 312 Cb -0.12 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1iu4 s ILE 312 CO 0.24 0.55 0.00 1.07 0.00 0.00 0.00 174.94 176.79 1iu4 n THR 313 N 3.15 0.00 -4.32 2.92 5.66 -0.38 -4.73 114.28 116.57 1iu4 n THR 313 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.64 1iu4 n THR 313 Cb 0.53 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 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 -3.83 0.85 0.10 1.09 0.40 -1.26 -0.23 117.98 115.10 1iu4 s PHE 314 Ca 0.00 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1iu4 s PHE 314 Cb 0.00 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1iu4 s PHE 314 CO 0.00 -0.01 -0.13 0.96 0.70 0.00 0.00 175.22 176.74 1iu4 s ILE 315 N -0.44 1.15 0.63 0.64 -4.36 -0.05 -4.92 121.20 113.85 1iu4 s ILE 315 Ca 0.02 -1.55 -0.18 0.00 -0.26 0.00 0.00 60.65 58.67 1iu4 s ILE 315 Cb -0.05 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 1iu4 s ILE 315 CO 0.00 -0.39 1.26 -2.84 0.24 0.00 0.00 174.94 173.21 1iu4 s PRO 316 N -2.38 2.70 0.40 0.37 0.02 -1.26 -1.14 135.00 133.71 1iu4 s PRO 316 Ca 0.04 1.98 0.29 0.00 0.02 0.00 0.00 61.00 63.33 1iu4 s PRO 316 Cb -0.06 -1.87 1.30 0.00 0.02 0.00 0.00 34.50 33.89 1iu4 s PRO 316 CO 0.02 -1.46 1.86 -0.22 -0.33 0.00 0.00 177.00 176.87 1iu4 h LYS 317 N 0.66 0.00 0.00 5.54 3.64 -0.56 -2.78 116.57 123.07 1iu4 h LYS 317 Ca -0.51 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.79 1iu4 h LYS 317 Cb 1.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1iu4 h LYS 317 CO 0.54 0.00 -0.38 0.66 -2.27 0.00 0.00 179.45 178.00 1iu4 h SER 318 N 0.00 0.00 -4.27 4.20 4.64 -1.89 -3.45 113.55 112.78 1iu4 h SER 318 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1iu4 h SER 318 Cb 0.30 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.51 1iu4 h SER 318 CO 0.00 0.38 0.32 0.26 -0.87 0.00 0.00 176.83 176.92 1iu4 s TRP 319 N -3.37 2.71 -0.13 4.77 0.52 -1.05 -2.02 118.94 120.37 1iu4 s TRP 319 Ca 0.02 1.39 0.15 0.00 0.02 0.00 0.00 56.10 57.67 1iu4 s TRP 319 Cb 0.09 -3.04 0.31 0.00 -1.15 0.00 0.00 33.47 29.69 1iu4 s TRP 319 CO 0.69 -1.77 1.16 -1.71 0.02 0.00 0.00 176.95 175.34 1iu4 n ASN 320 N -3.48 1.70 -0.14 2.95 5.15 -1.20 -4.77 115.26 115.46 1iu4 n ASN 320 Ca 0.08 -3.13 0.15 0.00 -0.60 0.00 0.00 54.58 51.08 1iu4 n ASN 320 Cb 0.54 -0.42 0.74 0.00 -0.53 0.00 0.00 39.78 40.11 1iu4 n ASN 320 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1iu4 n THR 321 N -0.95 0.00 -3.28 -0.44 -2.24 -1.23 -4.03 114.28 102.11 1iu4 n THR 321 Ca 0.14 -0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 1iu4 n THR 321 Cb 0.72 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.73 3.17 -1.96 6.98 0.00 -1.26 -4.79 120.51 121.92 1iu4 n ALA 322 Ca 0.20 -4.02 -0.25 0.00 0.00 0.00 0.00 53.44 49.37 1iu4 n ALA 322 Cb 0.22 -0.85 0.10 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.85 1.72 0.34 0.00 0.04 -1.26 -4.41 135.00 129.58 1iu4 s PRO 323 Ca 0.38 -0.75 0.11 0.00 0.04 0.00 0.00 61.00 60.78 1iu4 s PRO 323 Cb 0.17 -2.23 0.61 0.00 0.04 0.00 0.00 34.50 33.10 1iu4 s PRO 323 CO -0.07 -1.48 1.77 -0.44 0.04 0.00 0.00 177.00 176.82 1iu4 h ASP 324 N -0.67 0.04 -4.76 6.66 3.45 -1.97 -3.32 116.42 115.85 1iu4 h ASP 324 Ca -0.40 -0.02 -0.27 0.00 0.43 0.00 0.00 57.03 56.77 1iu4 h ASP 324 Cb 1.28 -0.01 -0.21 0.00 -0.56 0.00 0.00 39.33 39.83 1iu4 h ASP 324 CO 0.46 0.46 -0.73 -0.75 -1.57 0.00 0.00 179.24 177.10 1iu4 s LYS 325 N -4.09 0.54 -0.14 3.56 2.47 -1.26 -2.07 119.74 118.76 1iu4 s LYS 325 Ca -0.03 -0.79 -0.02 0.00 -1.56 0.00 0.00 55.97 53.58 1iu4 s LYS 325 Cb 0.14 -0.29 0.04 0.00 -1.46 0.00 0.00 37.83 36.27 1iu4 s LYS 325 CO 0.74 0.05 0.01 0.08 0.16 0.00 0.00 175.35 176.39 1iu4 s VAL 326 N -1.49 0.52 -0.13 4.02 1.01 -1.26 -5.07 120.40 118.00 1iu4 s VAL 326 Ca -0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1iu4 s VAL 326 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1iu4 s VAL 326 CO 0.00 0.03 0.13 -0.54 0.00 0.00 0.00 175.10 174.72 1iu4 s LYS 327 N 1.88 3.54 0.41 2.72 3.01 -1.26 -4.77 119.74 125.28 1iu4 s LYS 327 Ca 0.02 -0.16 -0.25 0.00 -1.01 0.00 0.00 55.97 54.57 1iu4 s LYS 327 Cb -0.15 -3.21 -0.08 0.00 -1.01 0.00 0.00 37.83 33.38 1iu4 s LYS 327 CO -0.07 0.70 1.20 -0.65 0.51 0.00 0.00 175.35 177.04 1iu4 s GLN 328 N -0.79 4.00 1.99 1.68 -0.21 -1.26 -4.91 119.66 120.16 1iu4 s GLN 328 Ca 0.14 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.42 1iu4 s GLN 328 Cb -0.12 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1iu4 s GLN 328 CO 0.03 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 1iu4 n GLY 329 N 0.64 -1.10 3.57 3.09 0.00 -1.26 -4.58 105.19 105.55 1iu4 n GLY 329 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.93 -2.00 1.61 -0.11 0.14 -4.88 118.94 112.78 1iu4 s TRP 330 Ca 0.00 1.93 0.07 0.00 1.22 0.00 0.00 56.10 59.32 1iu4 s TRP 330 Cb 0.00 0.50 0.41 0.00 -1.50 0.00 0.00 33.47 32.88 1iu4 s TRP 330 CO 0.00 -0.46 0.87 -0.35 -4.62 0.00 0.00 176.95 172.39